residueId AA Amino acid residues Amino acid properties Secondary structure (PDBe/SIFTS) Secondary structure (DSSP 3-state)* Secondary structure (DSSP 9-state)* Accessible surface area (Ų)* Phi angle (degrees)* Psi angle (degrees)* AlphaFold confidence (pLDDT) Active site (UniProt) Binding site (UniProt) Chain (UniProt) Coiled coil (UniProt) Compositional bias (UniProt) Cross-link (UniProt) Disulfide bond (UniProt) DNA binding (UniProt) Domain (UniProt) Glycosylation (UniProt) Initiator methionine (UniProt) Intramembrane (UniProt) Lipidation (UniProt) Modified residue (UniProt) Motif (UniProt) Mutagenesis (UniProt) Non-adjacent residues (UniProt) Non-standard residue (UniProt) Non-terminal residue (UniProt) Peptide (UniProt) Propeptide (UniProt) Region (UniProt) Repeat (UniProt) Sequence conflict (UniProt) Sequence uncertainty (UniProt) Signal (UniProt) Site (UniProt) Topological domain (UniProt) Transit peptide (UniProt) Transmembrane (UniProt) Zinc finger (UniProt) Molar mass (g/mol) Hydropathy Acetylation Disease-associated PTMs Methylation O-GalNAc O-GlcNAc Phosphorylation SNP-associated PTMs Regulatory sites Substrate genes SUMOylation Ubiquitination fpocket: pocket number* fpocket: druggability score* p2rank: pocket number* p2rank: pocket probability* Intra-chain Hydrogen bond (PDB) Intra-chain Hydrogen bond (AlphaFold2) Intra-chain Non-bonded interaction (PDB) Intra-chain Non-bonded interaction (AlphaFold2) Intra-chain Disulfide bond (PDB) Intra-chain Disulfide bond (AlphaFold2) Intra-chain Salt bridge (PDB) Intra-chain Salt bridge (AlphaFold2) Inter-chain Hydrogen bond (PDB) Inter-chain Non-bonded interaction (PDB) Inter-chain Disulfide bond (PDB) Inter-chain Salt bridge (PDB) PFES PFES_Physicochemical PFES_Structure PFES_Domain PFES_Function PFES_Modification PFES_PPI 1 M Methionine Aliphatic C (loop/coil) C (loop/coil) 249 360.0 113.6 39.34 Signal 149 1.9 -4.3400 0.3196 -4.6631 2 G Glycine Special, lack of a chiral carbon, smallest amino acid, very flexible C (loop/coil) C (loop/coil) 77 77.8 104.5 41.84 Signal 75 -0.4 -2.0800 1.8506 -3.9262 3 P Proline Special, No backbone hydrogen C (loop/coil) C (loop/coil) 119 -116.5 146.7 48.06 Signal 115 -1.6 -2.3800 0.5462 -2.9275 4 W Tryptophan Aromatic C (loop/coil) C (loop/coil) 260 -142.6 132.3 40.03 Signal 204 -0.9 -2.7100 1.3991 -4.1122 5 G Glycine Special, lack of a chiral carbon, smallest amino acid, very flexible C (loop/coil) C (loop/coil) 70 90.5 76.8 42.88 Signal 75 -0.4 0.2500 1.8506 -1.5973 6 W Tryptophan Aromatic C (loop/coil) C (loop/coil) 238 77.7 103.0 37.81 Signal 204 -0.9 -2.1100 1.3991 -3.5092 7 K Lysine Positively-charged C (loop/coil) C (loop/coil) 203 -68.1 144.6 35.38 Signal 147 -3.9 -0.6000 0.3020 -0.8984 8 L Leucine Aliphatic C (loop/coil) C (loop/coil) 149 -152.3 110.7 37.56 Signal 131 3.8 1.3400 0.3196 1.0231 9 R Arginine Positively-charged C (loop/coil) C (loop/coil) 236 165.5 57.5 34.88 Signal 175 -4.5 -0.7200 -1.0025 0.2863 10 W Tryptophan Aromatic C (loop/coil) S (bend) 251 -143.1 145.5 32.56 Signal 204 -0.9 2.4200 1.3991 1.0231 11 T Threonine Polar/Neutral C (loop/coil) C (loop/coil) 138 80.2 81.1 34.12 Signal 119 -0.7 0.5100 -1.6869 2.1982 12 V Valine Aliphatic C (loop/coil) C (loop/coil) 150 -137.5 98.8 35.19 Signal 117 4.2 2.5200 0.3196 2.1982 13 A Alanine Aliphatic C (loop/coil) C (loop/coil) 102 167.4 37.9 36.12 Signal 89 1.8 2.9100 0.7136 2.1982 14 L Leucine Aliphatic C (loop/coil) S (bend) 163 -124.0 122.5 33.28 Signal 131 3.8 0.1600 0.3196 -0.1616 15 L Leucine Aliphatic C (loop/coil) C (loop/coil) 168 90.5 86.6 32.5 Signal 131 3.8 0.1600 0.3196 -0.1616 16 L Leucine Aliphatic C (loop/coil) C (loop/coil) 171 -173.1 89.7 41.28 Signal 131 3.8 0.1600 0.3196 -0.1616 17 A Alanine Aliphatic C (loop/coil) C (loop/coil) 95 55.0 98.2 31.16 Signal 89 1.8 0.5500 0.7136 -0.1616 18 A Alanine Aliphatic C (loop/coil) C (loop/coil) 99 -176.8 124.4 35.0 Signal 89 1.8 0.5500 0.7136 -0.1616 19 A Alanine Aliphatic C (loop/coil) C (loop/coil) 109 -50.3 141.0 34.22 Signal 89 1.8 1.0100 0.7136 0.3014 20 G Glycine Special, lack of a chiral carbon, smallest amino acid, very flexible C (loop/coil) C (loop/coil) 64 147.2 99.2 32.09 Signal 75 -0.4 -0.2500 1.8506 -2.0972 21 T Threonine Polar/Neutral C (loop/coil) C (loop/coil) 141 77.0 117.4 35.19 Signal 119 -0.7 -5.6100 -1.6869 -3.9262 22 A Alanine Aliphatic C (loop/coil) C (loop/coil) 109 -51.9 124.5 33.56 Low-density lipoprotein receptor Extracellular 89 1.8 -1.3600 0.7136 -3.9262 1.8539 23 V Valine Aliphatic C (loop/coil) C (loop/coil) 129 -127.6 111.1 40.0 Low-density lipoprotein receptor Extracellular 117 4.2 -1.7500 0.3196 -3.9262 1.8539 24 G Glycine Special, lack of a chiral carbon, smallest amino acid, very flexible C (loop/coil) C (loop/coil) 69 -61.4 117.4 41.22 Low-density lipoprotein receptor Extracellular 75 -0.4 0.9500 1.8506 -2.7511 1.8539 25 D Aspartic Acid Negatively-charged C (loop/coil) C (loop/coil) 150 -62.3 111.7 49.56 Low-density lipoprotein receptor LDL-receptor class A 1 Extracellular 132 -3.5 D25-K38 (PDBs: 1F5Y) 1.7400 0.8622 -2.7416 3.6180 26 R Arginine Positively-charged H (helix) P (polyproline helix) 223 -68.0 134.4 62.12 Low-density lipoprotein receptor LDL-receptor class A 1 Extracellular 175 -4.5 R26-Q33 (PDBs: 1F5Y) 0.9700 -1.0025 -1.6493 3.6180 27 C Cysteine Special, a very reactive sulfhydryl group H (helix) P (polyproline helix) 21 -53.6 154.4 69.94 Low-density lipoprotein receptor Disulfide bond 27-39 LDL-receptor class A 1 Extracellular 121 2.5 C27-Q33 (PAE: 5.5), C27-C39 (PAE: 5.0), C27-E31 (PAE: 6.0) C27-C39 (PDBs: 1F5Y, 1LDL) C27-C39 (PAE: 5.0) 11.3900 2.6074 5.1664 3.6180 28 E Glutamic Acid Negatively-charged H (helix) P (polyproline helix) 149 -59.3 158.8 69.38 Low-density lipoprotein receptor LDL-receptor class A 1 Extracellular 146 -3.5 2.1700 -0.4423 -1.0075 3.6180 29 R Arginine Positively-charged Beta strand C (loop/coil) T (turn) 255 -55.6 -9.4 64.75 Low-density lipoprotein receptor LDL-receptor class A 1 Extracellular 175 -4.5 R29-E31 (PDBs: 1F5Y) -0.3100 -1.0025 -2.9275 3.6180 30 N Asparagine Polar/Neutral Beta strand C (loop/coil) T (turn) 124 -120.9 15.3 65.38 Low-density lipoprotein receptor LDL-receptor class A 1 Extracellular 132 -3.5 N30-Y42 (PDBs: 1LDL) N30-Y42 (PAE: 3.0) 4.0300 -1.0776 1.4860 3.6180 31 E Glutamic Acid Negatively-charged Beta strand B (undefined) E (parallel sheets) 85 -121.8 142.0 74.31 Low-density lipoprotein receptor LDL-receptor class A 1 in Ref. 4; BAG58495 Extracellular 146 -3.5 E31-S41 (PDBs: 1F5Y) E31-S41 (PDBs: 1F5Y), E31-I40 (PDBs: 1LDL) E31-I40 (PAE: 2.5), E31-C39 (PAE: 4.0), E31-C27 (PAE: 6.0) E31-R29 (PDBs: 1F5Y) 8.1800 -0.4423 5.0003 3.6180 32 F Phenylalanine Aromatic Beta strand B (undefined) E (parallel sheets) 50 -89.8 132.3 76.69 Low-density lipoprotein receptor LDL-receptor class A 1 Extracellular 165 2.8 F32-I40 (PDBs: 1F5Y, 1LDL) F32-I40 (PAE: 2.0) F32-I40 (PDBs: 1F5Y, 1LDL), F32-D57 (PDBs: 1F5Y) F32-C39 (PAE: 2.5), F32-V45 (PAE: 3.0), F32-I40 (PAE: 2.0), F32-D57 (PAE: 4.5) 10.9700 1.3991 5.9537 3.6180 33 Q Glutamine Polar/Neutral Beta strand B (undefined) E (parallel sheets) 94 -93.7 110.6 80.44 Low-density lipoprotein receptor LDL-receptor class A 1 Extracellular 146 -3.5 Q33-G37 (PDBs: 1F5Y) Q33-R26 (PDBs: 1F5Y) Q33-C27 (PAE: 5.5), Q33-K38 (PAE: 3.0) 7.1400 -1.4758 5.0003 3.6180 34 C Cysteine Special, a very reactive sulfhydryl group C (loop/coil) C (loop/coil) 2 -59.3 155.2 81.75 Low-density lipoprotein receptor Disulfide bond 34-52 LDL-receptor class A 1 Extracellular 121 2.5 C34-K38 (PDBs: 1F5Y, 1LDL) C34-K38 (PAE: 5.0) C34-S56 (PDBs: 1F5Y, 1LDL), C34-K38 (PDBs: 1F5Y), C34-D57 (PDBs: 1LDL) C34-K38 (PAE: 5.0), C34-I40 (PAE: 3.0), C34-C52 (PAE: 4.5) C34-C52 (PDBs: 1F5Y, 1LDL) C34-C52 (PAE: 4.5) 15.7600 2.6074 9.5341 3.6180 35 Q Glutamine Polar/Neutral Beta strand C (loop/coil) T (turn) 167 -67.0 -24.6 76.19 Low-density lipoprotein receptor LDL-receptor class A 1 Extracellular 146 -3.5 Q35-S56 (PAE: 6.5) Q35-S56 (PDBs: 1F5Y) Q35-D54 (PAE: 6.0), Q35-S56 (PAE: 6.5) 4.6300 -1.4758 2.4833 3.6180 36 D Aspartic Acid Negatively-charged Beta strand C (loop/coil) T (turn) 78 -70.2 -4.7 71.5 Low-density lipoprotein receptor LDL-receptor class A 1 Extracellular 132 -3.5 D36-Q53 (PAE: 8.5), D36-D54 (PAE: 7.5) D36-S56 (PDBs: 1LDL) D36-Q53 (PAE: 8.5), D36-D54 (PAE: 7.5) D36-K38 (PDBs: 1F5Y) 8.8800 0.8622 4.3952 3.6180 37 G Glycine Special, lack of a chiral carbon, smallest amino acid, very flexible Beta strand C (loop/coil) S (bend) 45 87.9 3.1 74.81 Low-density lipoprotein receptor LDL-receptor class A 1 Extracellular 75 -0.4 G37-Q33 (PDBs: 1F5Y) 8.6400 1.8506 3.1691 3.6180 38 K Lysine Positively-charged C (loop/coil) C (loop/coil) 98 -78.5 139.3 78.94 Low-density lipoprotein receptor LDL-receptor class A 1 Extracellular 147 -3.9 Morphology: EFQCQDGkCISYKWV; Domain: Ldl_recept_a K38-C34 (PDBs: 1F5Y, 1LDL) K38-C34 (PAE: 5.0), K38-E51 (PAE: 5.0) K38-C34 (PDBs: 1F5Y) K38-Q33 (PAE: 3.0), K38-C34 (PAE: 5.0) K38-D36 (PDBs: 1F5Y), K38-D25 (PDBs: 1F5Y) 7.7600 0.3020 3.8443 3.6180 39 C Cysteine Special, a very reactive sulfhydryl group Beta strand B (undefined) E (parallel sheets) 52 -96.7 127.1 84.06 Low-density lipoprotein receptor Disulfide bond 27-39 LDL-receptor class A 1 Extracellular 121 2.5 C39-C27 (PAE: 5.0), C39-F32 (PAE: 2.5), C39-E31 (PAE: 4.0) C39-C27 (PDBs: 1F5Y, 1LDL) C39-C27 (PAE: 5.0) 11.5900 2.6074 5.3688 3.6180 40 I Isoleucine Aliphatic Beta strand B (undefined) E (parallel sheets) 13 -118.7 155.9 76.5 Low-density lipoprotein receptor LDL-receptor class A 1 Extracellular 131 4.5 I40-F32 (PDBs: 1F5Y, 1LDL) I40-F32 (PAE: 2.0) I40-F32 (PDBs: 1F5Y, 1LDL), I40-V45 (PDBs: 1LDL), I40-E31 (PDBs: 1LDL) I40-C52 (PAE: 3.5), I40-C34 (PAE: 3.0), I40-F32 (PAE: 2.0), I40-E31 (PAE: 2.5), I40-W44 (PAE: 3.0) 9.8900 0.3196 5.9537 3.6180 41 S Serine Polar/Neutral Beta strand B (undefined) E (parallel sheets) 50 -66.5 144.6 72.38 Low-density lipoprotein receptor LDL-receptor class A 1 Extracellular 105 -0.8 S41-E31 (PDBs: 1F5Y) S41-E31 (PDBs: 1F5Y), S41-V45 (PDBs: 1F5Y, 1LDL) 8.4900 -1.0776 5.9537 3.6180 42 Y Tyrosine Aromatic Turn H (helix) G (3₁₀-helix) 101 -50.1 -24.1 72.44 Low-density lipoprotein receptor LDL-receptor class A 1 Extracellular 181 -1.3 Y42-N30 (PDBs: 1LDL) Y42-N30 (PAE: 3.0) 7.3500 1.3991 2.3347 3.6180 43 K Lysine Positively-charged Turn H (helix) G (3₁₀-helix) 171 -62.7 -23.5 67.25 Low-density lipoprotein receptor LDL-receptor class A 1 Extracellular 147 -3.9 2.5800 0.3020 -1.3420 3.6180 44 W Tryptophan Aromatic Turn H (helix) G (3₁₀-helix) 129 -104.4 24.5 72.5 Low-density lipoprotein receptor LDL-receptor class A 1 Extracellular 204 -0.9 W44-E51 (PAE: 4.0), W44-D57 (PAE: 4.0), W44-I40 (PAE: 3.0) 5.8000 1.3991 0.7866 3.6180 45 V Valine Aliphatic Turn C (loop/coil) S (bend) 18 -106.6 120.8 75.44 Low-density lipoprotein receptor LDL-receptor class A 1 Extracellular 117 4.2 V45-S41 (PDBs: 1F5Y, 1LDL), V45-I40 (PDBs: 1LDL) V45-F32 (PAE: 3.0) 8.0400 0.3196 4.1040 3.6180 46 C Cysteine Special, a very reactive sulfhydryl group Turn C (loop/coil) S (bend) 13 61.3 37.5 73.38 Low-density lipoprotein receptor Disulfide bond 46-63 LDL-receptor class A 1 Extracellular 121 2.5 C46-D57 (PDBs: 1LDL) C46-D57 (PAE: 2.5) C46-V79 (PAE: 12.0), C46-E58 (PAE: 2.5), C46-D57 (PAE: 2.5), C46-C63 (PAE: 6.5) C46-C63 (PDBs: 1F5Y, 1LDL) C46-C63 (PAE: 6.5) 14.4900 2.6074 8.2629 3.6180 47 D Aspartic Acid Negatively-charged Beta strand C (loop/coil) S (bend) 65 -95.4 0.6 69.5 Low-density lipoprotein receptor LDL-receptor class A 1 Extracellular 132 -3.5 D47-E58 (PAE: 4.0) D47-E58 (PAE: 4.0) 6.8700 0.8622 2.3885 3.6180 48 G Glycine Special, lack of a chiral carbon, smallest amino acid, very flexible Beta strand C (loop/coil) S (bend) 62 89.6 1.3 70.75 Low-density lipoprotein receptor LDL-receptor class A 1 Extracellular 75 -0.4 G48-E58 (PDBs: 1F5Y) G48-E58 (PAE: 4.0) G48-E58 (PAE: 4.0) 5.7300 1.8506 0.2599 3.6180 49 S Serine Polar/Neutral Beta strand C (loop/coil) S (bend) 61 -116.5 147.3 73.94 Low-density lipoprotein receptor LDL-receptor class A 1 Extracellular 105 -0.8 S49-E58 (PAE: 3.5) 2.1300 -1.0776 -0.4126 3.6180 50 A Alanine Aliphatic C (loop/coil) C (loop/coil) 71 -98.1 93.8 77.75 Low-density lipoprotein receptor LDL-receptor class A 1 Extracellular 89 1.8 A50-G55 (PDBs: 1F5Y) A50-D57 (PAE: 3.0) 5.1500 0.7136 0.8216 3.6180 51 E Glutamic Acid Negatively-charged Beta strand C (loop/coil) C (loop/coil) 50 -83.8 -28.1 80.81 Low-density lipoprotein receptor LDL-receptor class A 1 Extracellular 146 -3.5 E51-D57 (PDBs: 1F5Y, 1LDL) E51-K38 (PAE: 5.0), E51-D57 (PAE: 4.5) E51-D57 (PAE: 4.5), E51-W44 (PAE: 4.0) 3.4600 -0.4423 0.2812 3.6180 52 C Cysteine Special, a very reactive sulfhydryl group Beta strand C (loop/coil) S (bend) 1 -75.7 132.6 79.44 Low-density lipoprotein receptor Disulfide bond 34-52 LDL-receptor class A 1 Extracellular 121 2.5 C52-D57 (PDBs: 1F5Y) C52-D57 (PAE: 4.0) C52-S56 (PDBs: 1LDL), C52-D57 (PDBs: 1LDL) C52-C34 (PAE: 4.5), C52-I40 (PAE: 3.5), C52-D57 (PAE: 4.0), C52-S56 (PAE: 5.0) C52-C34 (PDBs: 1F5Y, 1LDL) C52-C34 (PAE: 4.5) 16.9100 2.6074 10.6880 3.6180 53 Q Glutamine Polar/Neutral Beta strand C (loop/coil) T (turn) 176 -70.4 -17.0 73.62 Low-density lipoprotein receptor LDL-receptor class A 1 Extracellular 146 -3.5 Q53-D36 (PAE: 8.5) Q53-D36 (PAE: 8.5) 3.5300 -1.4758 1.3910 3.6180 54 D Aspartic Acid Negatively-charged Beta strand C (loop/coil) T (turn) 71 -96.6 -2.5 76.0 Low-density lipoprotein receptor LDL-receptor class A 1 Extracellular 132 -3.5 D54-D36 (PAE: 7.5) D54-Q35 (PAE: 6.0), D54-D36 (PAE: 7.5) 7.0500 0.8622 2.5662 3.6180 55 G Glycine Special, lack of a chiral carbon, smallest amino acid, very flexible Beta strand C (loop/coil) C (loop/coil) 23 67.7 22.8 75.38 Low-density lipoprotein receptor LDL-receptor class A 1 Extracellular 75 -0.4 G55-S59 (PDBs: 1F5Y) G55-S59 (PDBs: 1F5Y), G55-A50 (PDBs: 1F5Y) G55-S59 (PAE: 3.5) 11.4200 1.8506 5.9517 3.6180 56 S Serine Polar/Neutral Helix C (loop/coil) C (loop/coil) 6 -64.0 -29.9 79.06 Low-density lipoprotein receptor LDL-receptor class A 1 Extracellular 105 -0.8 S56-T62 (PAE: 6.5), S56-Q35 (PAE: 6.5) S56-Q35 (PDBs: 1F5Y), S56-C34 (PDBs: 1F5Y, 1LDL), S56-D36 (PDBs: 1LDL), S56-C52 (PDBs: 1LDL) S56-C52 (PAE: 5.0), S56-T62 (PAE: 6.5), S56-Q35 (PAE: 6.5) 8.0300 -1.0776 5.4888 3.6180 57 D Aspartic Acid Negatively-charged Helix C (loop/coil) T (turn) 0 -64.9 -32.2 76.12 Low-density lipoprotein receptor LDL-receptor class A 1 Extracellular 132 -3.5 D57-E51 (PDBs: 1F5Y, 1LDL), D57-C52 (PDBs: 1F5Y), D57-C46 (PDBs: 1LDL) D57-C46 (PAE: 2.5), D57-E51 (PAE: 4.5), D57-C52 (PAE: 4.0) D57-F32 (PDBs: 1F5Y), D57-C34 (PDBs: 1LDL), D57-C52 (PDBs: 1LDL) D57-W44 (PAE: 4.0), D57-C46 (PAE: 2.5), D57-E51 (PAE: 4.5), D57-C63 (PAE: 3.5), D57-C52 (PAE: 4.0), D57-A50 (PAE: 3.0), D57-F32 (PAE: 4.5) 11.1200 0.8622 6.6427 3.6180 58 E Glutamic Acid Negatively-charged Helix C (loop/coil) T (turn) 60 -102.0 11.2 77.0 Low-density lipoprotein receptor LDL-receptor class A 1 Extracellular 146 -3.5 E58-G48 (PDBs: 1F5Y) E58-G48 (PAE: 4.0), E58-D47 (PAE: 4.0) E58-G48 (PAE: 4.0), E58-S49 (PAE: 3.5), E58-D47 (PAE: 4.0), E58-C46 (PAE: 2.5) 6.3400 -0.4423 3.1691 3.6180 59 S Serine Polar/Neutral C (loop/coil) C (loop/coil) 35 -69.8 136.6 76.19 Low-density lipoprotein receptor LDL-receptor class A 1 Extracellular 105 -0.8 S59-G55 (PDBs: 1F5Y), S59-C63 (PDBs: 1LDL) S59-C63 (PAE: 3.0) S59-G55 (PDBs: 1F5Y), S59-C63 (PDBs: 1LDL) S59-C63 (PAE: 3.0), S59-G55 (PAE: 3.5) 6.3800 -1.0776 3.8443 3.6180 60 Q Glutamine Polar/Neutral Turn H (helix) H (α-helix) 163 -57.2 -31.3 68.44 Low-density lipoprotein receptor LDL-receptor class A 1 Extracellular 146 -3.5 Q60-L64 (PDBs: 1LDL) Q60-L64 (PAE: 3.5) Q60-L64 (PDBs: 1LDL) Q60-L64 (PAE: 3.5) 3.1700 -1.4758 1.0231 3.6180 61 E Glutamic Acid Negatively-charged Turn H (helix) H (α-helix) 166 -74.3 -39.7 69.25 Low-density lipoprotein receptor LDL-receptor class A 1 Extracellular 146 -3.5 E61-S65 (PAE: 5.0) 4.2000 -0.4423 1.0231 3.6180 62 T Threonine Polar/Neutral Turn H (helix) H (α-helix) 20 -62.1 -51.3 67.94 Low-density lipoprotein receptor LDL-receptor class A 1 Extracellular 119 -0.7 T62-S56 (PAE: 6.5) T62-S56 (PAE: 6.5), T62-V66 (PAE: 5.0) 5.0800 -1.6869 3.1517 3.6180 63 C Cysteine Special, a very reactive sulfhydryl group H (helix) H (α-helix) 13 -69.9 -24.6 66.62 Low-density lipoprotein receptor Disulfide bond 46-63 LDL-receptor class A 1 Extracellular 121 2.5 C63-S59 (PDBs: 1LDL) C63-S59 (PAE: 3.0) C63-S59 (PDBs: 1LDL) C63-D57 (PAE: 3.5), C63-N80 (PAE: 11.5), C63-C46 (PAE: 6.5), C63-S59 (PAE: 3.0) C63-C46 (PDBs: 1F5Y, 1LDL) C63-C46 (PAE: 6.5) 14.1100 2.6074 7.8880 3.6180 64 L Leucine Aliphatic H (helix) H (α-helix) 125 -75.4 -21.6 63.75 Low-density lipoprotein receptor LDL-receptor class A 1 Extracellular 131 3.8 L64-R81 (PDBs: 1F5Y), L64-Q60 (PDBs: 1LDL) L64-Q60 (PAE: 3.5) L64-Q60 (PDBs: 1LDL) L64-Q60 (PAE: 3.5) 6.1400 0.3196 2.1982 3.6180 65 S Serine Polar/Neutral Beta strand H (helix) H (α-helix) 82 -93.5 -11.0 61.91 Low-density lipoprotein receptor LDL-receptor class A 1 Extracellular 105 -0.8 S65-C82 (PDBs: 5OYL) S65-R81 (PDBs: 5OYL), S65-C82 (PDBs: 5OYL) S65-E61 (PAE: 5.0) 3.5600 -1.0776 1.0231 3.6180 66 V Valine Aliphatic Beta strand C (loop/coil) C (loop/coil) 28 -70.8 101.0 61.09 Low-density lipoprotein receptor LDL-receptor class A 2 Extracellular 117 4.2 V66-T62 (PAE: 5.0) 7.0000 0.3196 3.0638 3.6180 67 T Threonine Polar/Neutral Beta strand H (helix) P (polyproline helix) 129 -85.3 124.4 60.84 Low-density lipoprotein receptor LDL-receptor class A 2 Extracellular 119 -0.7 -0.2600 -1.6869 -2.1907 3.6180 68 C Cysteine Special, a very reactive sulfhydryl group H (helix) P (polyproline helix) 31 -57.7 146.6 65.38 Low-density lipoprotein receptor Disulfide bond 68-82 LDL-receptor class A 2 Extracellular 121 2.5 C68-C82 (PDBs: 5OYL), C68-D72 (PDBs: 5OYL) C68-C82 (PAE: 6.5), C68-D72 (PAE: 7.0), C68-S74 (PAE: 6.5) C68-C82 (PDBs: 1F5Y, 5OYL) C68-C82 (PAE: 6.5) 12.0400 2.6074 5.8123 3.6180 69 K Lysine Positively-charged H (helix) P (polyproline helix) 158 -61.2 148.3 65.31 Low-density lipoprotein receptor LDL-receptor class A 2 Extracellular 147 -3.9 K69-D72 (PDBs: 1F5Y) 1.7300 0.3020 -2.1907 3.6180 70 S Serine Polar/Neutral Beta strand C (loop/coil) T (turn) 133 -58.4 100.3 60.75 Low-density lipoprotein receptor LDL-receptor class A 2 Extracellular 105 -0.8 -0.3900 -1.0776 -2.9275 3.6180 71 G Glycine Special, lack of a chiral carbon, smallest amino acid, very flexible Beta strand C (loop/coil) T (turn) 47 125.4 -2.7 67.25 Low-density lipoprotein receptor LDL-receptor class A 2 Extracellular 75 -0.4 G71-Q85 (PAE: 4.5) G71-Q85 (PDBs: 5OYL) G71-Q85 (PAE: 4.5) 8.1300 1.8506 2.6612 3.6180 72 D Aspartic Acid Negatively-charged Beta strand B (undefined) E (parallel sheets) 55 -112.3 144.6 72.25 Low-density lipoprotein receptor LDL-receptor class A 2 Extracellular 132 -3.5 D72-I83 (PDBs: 5OYL), D72-C68 (PDBs: 5OYL), D72-Q85 (PDBs: 5OYL), D72-C82 (PDBs: 5OYL) D72-I83 (PAE: 3.0), D72-C68 (PAE: 7.0), D72-P84 (PAE: 3.5) D72-K69 (PDBs: 1F5Y) 5.8000 0.8622 1.3236 3.6180 73 F Phenylalanine Aromatic B (undefined) E (parallel sheets) 42 -89.2 130.5 73.56 Low-density lipoprotein receptor LDL-receptor class A 2 Extracellular 165 2.8 F73-I83 (PDBs: 1F5Y, 5OYL) F73-I83 (PAE: 2.5) F73-D100 (PDBs: 1F5Y, 5OYL), F73-I83 (PDBs: 1F5Y, 5OYL), F73-C82 (PDBs: 5OYL), F73-Q85 (PDBs: 5OYL), F73-R88 (PDBs: 5OYL) F73-C82 (PAE: 2.5), F73-R88 (PAE: 3.5), F73-I83 (PAE: 2.5), F73-D100 (PAE: 4.0) 10.9700 1.3991 5.9537 3.6180 74 S Serine Polar/Neutral B (undefined) E (parallel sheets) 65 -85.6 118.4 75.12 Low-density lipoprotein receptor LDL-receptor class A 2 Extracellular 105 -0.8 S74-C82 (PDBs: 5OYL) S74-C82 (PDBs: 5OYL), S74-R81 (PDBs: 5OYL), S74-N80 (PDBs: 5OYL) S74-C68 (PAE: 6.5), S74-R81 (PAE: 3.5) 7.5400 -1.0776 5.0003 3.6180 75 C Cysteine Special, a very reactive sulfhydryl group C (loop/coil) C (loop/coil) 5 -62.3 -23.6 71.94 Low-density lipoprotein receptor Disulfide bond 75-95 LDL-receptor class A 2 Extracellular 121 2.5 C75-R81 (PDBs: 1F5Y, 5OYL), C75-S99 (PDBs: 5OYL), C75-N97 (PDBs: 5OYL) C75-R81 (PAE: 6.5), C75-S99 (PAE: 4.5), C75-N97 (PAE: 4.5) C75-C95 (PDBs: 5OYL), C75-N80 (PDBs: 5OYL), C75-R81 (PDBs: 5OYL), C75-N97 (PDBs: 5OYL), C75-S99 (PDBs: 5OYL) C75-C95 (PAE: 5.5), C75-R81 (PAE: 6.5), C75-N97 (PAE: 4.5), C75-S99 (PAE: 4.5), C75-I83 (PAE: 4.0) C75-C95 (PDBs: 1F5Y, 5OYL) C75-C95 (PAE: 5.5) 15.7600 2.6074 9.5341 3.6180 76 G Glycine Special, lack of a chiral carbon, smallest amino acid, very flexible C (loop/coil) C (loop/coil) 28 63.5 152.2 66.5 Low-density lipoprotein receptor LDL-receptor class A 2 Extracellular 75 -0.4 G76-N97 (PAE: 7.0) G76-N80 (PDBs: 1F5Y, 5OYL) G76-N97 (PAE: 7.0), G76-N80 (PAE: 6.5) 7.4700 1.8506 1.9967 3.6180 77 G Glycine Special, lack of a chiral carbon, smallest amino acid, very flexible Beta strand C (loop/coil) S (bend) 59 133.4 -163.8 63.84 Low-density lipoprotein receptor LDL-receptor class A 2 Extracellular 75 -0.4 G77-S99 (PDBs: 2M7P), G77-N97 (PDBs: 2M7P) 5.7100 1.8506 0.2414 3.6180 78 R Arginine Positively-charged Beta strand C (loop/coil) S (bend) 256 -70.1 -20.6 58.28 Low-density lipoprotein receptor LDL-receptor class A 2 Extracellular 175 -4.5 R78-N97 (PDBs: 1F5Y) R78-D96 (PDBs: 1F5Y) 2.1200 -1.0025 -0.4955 3.6180 79 V Valine Aliphatic Beta strand C (loop/coil) S (bend) 56 -126.2 110.0 59.22 Low-density lipoprotein receptor LDL-receptor class A 2 Extracellular 117 4.2 V79-D96 (PDBs: 1F5Y) V79-C46 (PAE: 12.0) 5.3500 0.3196 1.4165 3.6180 80 N Asparagine Polar/Neutral C (loop/coil) C (loop/coil) 49 -75.9 76.1 62.19 Low-density lipoprotein receptor LDL-receptor class A 2 Extracellular 132 -3.5 N80-G76 (PDBs: 1F5Y, 5OYL), N80-S74 (PDBs: 5OYL), N80-C75 (PDBs: 5OYL) N80-G76 (PAE: 6.5), N80-C63 (PAE: 11.5) 2.8000 -1.0776 0.2626 3.6180 81 R Arginine Positively-charged H (helix) P (polyproline helix) 122 -73.2 130.6 65.69 Low-density lipoprotein receptor LDL-receptor class A 2 Extracellular 175 -4.5 R81-C75 (PDBs: 1F5Y, 5OYL), R81-L64 (PDBs: 1F5Y), R81-G64 (PDBs: 5OYL) R81-C75 (PAE: 6.5) R81-C75 (PDBs: 5OYL), R81-S65 (PDBs: 5OYL), R81-S74 (PDBs: 5OYL), R81-L63 (PDBs: 5OYL), R81-G64 (PDBs: 5OYL) R81-S74 (PAE: 3.5), R81-C75 (PAE: 6.5) 5.6800 -1.0025 3.0638 3.6180 82 C Cysteine Special, a very reactive sulfhydryl group B (undefined) E (parallel sheets) 27 -98.5 118.6 73.5 Low-density lipoprotein receptor Disulfide bond 68-82 LDL-receptor class A 2 Extracellular 121 2.5 C82-S65 (PDBs: 5OYL), C82-S74 (PDBs: 5OYL) C82-F73 (PDBs: 5OYL), C82-G64 (PDBs: 5OYL), C82-C68 (PDBs: 5OYL), C82-S65 (PDBs: 5OYL), C82-D72 (PDBs: 5OYL), C82-S74 (PDBs: 5OYL) C82-C68 (PAE: 6.5), C82-F73 (PAE: 2.5) C82-C68 (PDBs: 1F5Y, 5OYL), C82-C69 (PDBs: 2M7P) C82-C68 (PAE: 6.5) 16.2200 2.6074 9.9990 3.6180 83 I Isoleucine Aliphatic B (undefined) E (parallel sheets) 4 -102.5 149.5 72.19 Low-density lipoprotein receptor LDL-receptor class A 2 Extracellular 131 4.5 I83-F73 (PDBs: 1F5Y, 5OYL), I83-F74 (PDBs: 2M7P) I83-F73 (PAE: 2.5) I83-F73 (PDBs: 1F5Y, 5OYL), I83-F74 (PDBs: 2M7P), I83-D72 (PDBs: 5OYL), I83-D94 (PDBs: 5OYL), I83-G64 (PDBs: 5OYL), I83-W87 (PDBs: 5OYL) I83-C75 (PAE: 4.0), I83-D72 (PAE: 3.0), I83-F73 (PAE: 2.5), I83-C95 (PAE: 3.5), I83-W87 (PAE: 3.0) 10.5800 0.3196 6.6447 3.6180 84 P Proline Special, No backbone hydrogen B (undefined) E (parallel sheets) 39 -59.8 148.5 76.31 Low-density lipoprotein receptor LDL-receptor class A 2 Extracellular 115 -1.6 P84-D72 (PAE: 3.5), P84-R88 (PAE: 2.0) 7.1300 0.5462 2.9680 3.6180 85 Q Glutamine Polar/Neutral Helix H (helix) G (3₁₀-helix) 105 -53.0 -28.2 72.75 Low-density lipoprotein receptor LDL-receptor class A 2 Extracellular 146 -3.5 Q85-G72 (PDBs: 2M7P) Q85-G71 (PAE: 4.5) Q85-G72 (PDBs: 2M7P), Q85-Y73 (PDBs: 2M7P), Q85-F74 (PDBs: 2M7P), Q85-G71 (PDBs: 5OYL), Q85-F73 (PDBs: 5OYL), Q85-D72 (PDBs: 5OYL) Q85-G71 (PAE: 4.5) 7.3900 -1.4758 5.2439 3.6180 86 F Phenylalanine Aromatic Helix H (helix) G (3₁₀-helix) 151 -76.1 -13.4 75.38 Low-density lipoprotein receptor LDL-receptor class A 2 Extracellular 165 2.8 F86-D90 (PAE: 2.5) D:F86-A:R375 (PDBs: 5OYL) D:F86-A:Q31 (PDBs: 5OYL), D:F86-A:N30 (PDBs: 5OYL), D:F86-A:H29 (PDBs: 5OYL) 10.1000 1.3991 1.5672 3.6180 3.5166 87 W Tryptophan Aromatic Helix H (helix) G (3₁₀-helix) 88 -86.7 -9.9 74.75 Low-density lipoprotein receptor LDL-receptor class A 2 Extracellular 204 -0.9 W87-I83 (PDBs: 5OYL), W87-D94 (PDBs: 5OYL) W87-I83 (PAE: 3.0), W87-D94 (PAE: 3.5) D:W87-A:H29 (PDBs: 5OYL) 8.2300 1.3991 3.2116 3.6180 88 R Arginine Positively-charged C (loop/coil) T (turn) 101 -75.1 120.3 76.94 Low-density lipoprotein receptor LDL-receptor class A 2 Extracellular 175 -4.5 R88-G103 (PDBs: 5OYL), R88-Q102 (PDBs: 5OYL) R88-D100 (PDBs: 5OYL), R88-F73 (PDBs: 5OYL) R88-D100 (PAE: 4.5), R88-F73 (PAE: 3.5), R88-P84 (PAE: 2.0) D:R88-A:R375 (PDBs: 5OYL) 7.9600 -1.0025 5.3487 3.6180 89 C Cysteine Special, a very reactive sulfhydryl group C (loop/coil) T (turn) 19 65.9 31.4 75.0 Low-density lipoprotein receptor Disulfide bond 89-104 LDL-receptor class A 2 Extracellular 121 2.5 C89-D100 (PDBs: 1F5Y, 5OYL) C89-D100 (PAE: 2.5) C89-E101 (PDBs: 5OYL), C89-C104 (PDBs: 5OYL), C89-D100 (PDBs: 5OYL) C89-E101 (PAE: 3.0), C89-D100 (PAE: 2.5), C89-C104 (PAE: 7.5) C89-C104 (PDBs: 1F5Y, 2M7P, 5OYL) C89-C104 (PAE: 7.5) D:C89-A:R375 (PDBs: 5OYL) D:C89-A:T373 (PDBs: 5OYL), D:C89-A:E374 (PDBs: 5OYL), D:C89-A:I368 (PDBs: 5OYL), D:C89-A:R375 (PDBs: 5OYL) 15.5600 2.6074 7.5649 3.6180 1.7725 90 D Aspartic Acid Negatively-charged Beta strand C (loop/coil) S (bend) 53 -85.2 -12.7 74.19 Low-density lipoprotein receptor LDL-receptor class A 2 Extracellular 132 -3.5 D90-D100 (PDBs: 1F5Y), D90-E101 (PDBs: 5OYL) D90-E101 (PDBs: 5OYL) D90-E101 (PAE: 3.5), D90-F86 (PAE: 2.5) D:D90-A:H29 (PDBs: 5OYL), D:D90-A:Y230 (PDBs: 5OYL), D:D90-A:K68 (PDBs: 5OYL) D:D90-A:H29 (PDBs: 5OYL), D:D90-A:R375 (PDBs: 5OYL), D:D90-A:I368 (PDBs: 5OYL) D:D90-A:K68 (PDBs: 5OYL) 14.1800 0.8622 4.1226 3.6180 5.5783 91 G Glycine Special, lack of a chiral carbon, smallest amino acid, very flexible Beta strand C (loop/coil) S (bend) 52 98.6 1.6 70.38 Low-density lipoprotein receptor LDL-receptor class A 2 Extracellular 75 -0.4 G91-E101 (PDBs: 5OYL) G91-E101 (PAE: 3.5) G91-E101 (PDBs: 5OYL) G91-E101 (PAE: 3.5) D:G91-A:M205 (PDBs: 5OYL) 8.6400 1.8506 3.1691 3.6180 92 Q Glutamine Polar/Neutral Beta strand C (loop/coil) S (bend) 128 -111.2 148.6 73.62 Low-density lipoprotein receptor LDL-receptor class A 2 Extracellular 146 -3.5 Q92-E101 (PDBs: 5OYL) Q92-E101 (PAE: 2.5) D:Q92-A:K68 (PDBs: 5OYL) D:Q92-A:I203 (PDBs: 5OYL), D:Q92-A:M205 (PDBs: 5OYL), D:Q92-A:S204 (PDBs: 5OYL) 6.9800 -1.4758 1.3215 3.6180 3.5166 93 V Valine Aliphatic Beta strand C (loop/coil) C (loop/coil) 106 -90.4 92.9 78.25 Low-density lipoprotein receptor LDL-receptor class A 2 Extracellular 117 4.2 V93-Q102 (PDBs: 1F5Y), V93-D100 (PDBs: 5OYL), V93-G98 (PDBs: 5OYL) V93-D100 (PAE: 3.0), V93-G98 (PAE: 3.5) D:V93-A:S204 (PDBs: 5OYL) D:V93-A:S204 (PDBs: 5OYL), D:V93-A:I203 (PDBs: 5OYL) 9.4500 0.3196 1.9967 3.6180 3.5166 94 D Aspartic Acid Negatively-charged C (loop/coil) C (loop/coil) 19 -97.4 -22.4 77.44 Low-density lipoprotein receptor LDL-receptor class A 2 Extracellular 132 -3.5 D94-D100 (PDBs: 5OYL) D94-D100 (PAE: 4.0) D94-D100 (PDBs: 5OYL), D94-I83 (PDBs: 5OYL), D94-W87 (PDBs: 5OYL) D94-D100 (PAE: 4.0), D94-W87 (PAE: 3.5) D:D94-A:K68 (PDBs: 5OYL) D:D94-A:I203 (PDBs: 5OYL) D:D94-A:K68 (PDBs: 5OYL) 11.9700 0.8622 3.6597 3.6180 3.8343 95 C Cysteine Special, a very reactive sulfhydryl group Beta strand C (loop/coil) S (bend) 1 -85.7 133.1 77.06 Low-density lipoprotein receptor Disulfide bond 75-95 LDL-receptor class A 2 Extracellular 121 2.5 C95-D100 (PDBs: 2M7P, 5OYL) C95-D100 (PAE: 3.5) C95-D100 (PDBs: 2M7P, 5OYL), C95-C75 (PDBs: 5OYL), C95-S99 (PDBs: 5OYL) C95-D100 (PAE: 3.5), C95-C75 (PAE: 5.5), C95-S99 (PAE: 4.5), C95-I83 (PAE: 3.5) C95-C75 (PDBs: 1F5Y, 5OYL), C95-C76 (PDBs: 2M7P) C95-C75 (PAE: 5.5) 16.9100 2.6074 10.6880 3.6180 96 D Aspartic Acid Negatively-charged Beta strand C (loop/coil) T (turn) 139 -56.6 -22.8 71.25 Low-density lipoprotein receptor LDL-receptor class A 2 Extracellular 132 -3.5 D96-V79 (PDBs: 1F5Y), D96-C76 (PDBs: 2M7P), D96-P62 (PDBs: 5OYL) D96-R78 (PDBs: 1F5Y), D96-K81 (PDBs: 2M7P) 8.8800 0.8622 4.3952 3.6180 97 N Asparagine Polar/Neutral Beta strand C (loop/coil) T (turn) 70 -102.8 2.8 73.44 Low-density lipoprotein receptor LDL-receptor class A 2 N-linked (GlcNAc...) asparagine Extracellular 132 -3.5 N97-C75 (PDBs: 5OYL), N97-Q102 (PDBs: 5OYL) N97-C75 (PAE: 4.5), N97-G76 (PAE: 7.0) N97-Q102 (PDBs: 1F5Y), N97-R78 (PDBs: 1F5Y), N97-I79 (PDBs: 2M7P), N97-N78 (PDBs: 2M7P), N97-G77 (PDBs: 2M7P), N97-C75 (PDBs: 5OYL) N97-C75 (PAE: 4.5), N97-G76 (PAE: 7.0) 6.9400 -1.0776 4.3952 3.6180 98 G Glycine Special, lack of a chiral carbon, smallest amino acid, very flexible C (loop/coil) C (loop/coil) 12 60.1 32.0 73.38 Low-density lipoprotein receptor LDL-receptor class A 2 Extracellular 75 -0.4 G98-Q102 (PDBs: 1F5Y), G98-G103 (PDBs: 1F5Y) G98-Q102 (PAE: 4.0) G98-Q102 (PDBs: 1F5Y, 2M7P, 5OYL), G98-G103 (PDBs: 1F5Y), G98-V93 (PDBs: 5OYL) G98-Q102 (PAE: 4.0), G98-V93 (PAE: 3.5) 10.2700 1.8506 4.7978 3.6180 99 S Serine Polar/Neutral Helix C (loop/coil) C (loop/coil) 37 -75.0 -26.4 81.12 Low-density lipoprotein receptor LDL-receptor class A 2 Extracellular 105 -0.8 S99-C75 (PDBs: 5OYL) S99-C75 (PAE: 4.5) S99-G103 (PDBs: 1F5Y), S99-C76 (PDBs: 2M7P), S99-G77 (PDBs: 2M7P), S99-C95 (PDBs: 5OYL), S99-C75 (PDBs: 5OYL) S99-C95 (PAE: 4.5), S99-C75 (PAE: 4.5) 7.3400 -1.0776 4.7978 3.6180 100 D Aspartic Acid Negatively-charged Helix C (loop/coil) T (turn) 0 -62.9 -33.6 77.69 Low-density lipoprotein receptor LDL-receptor class A 2 Extracellular 132 -3.5 D100-D90 (PDBs: 1F5Y), D100-C89 (PDBs: 1F5Y, 5OYL), D100-C95 (PDBs: 2M7P, 5OYL), D100-D94 (PDBs: 5OYL) D100-C95 (PAE: 3.5), D100-D94 (PAE: 4.0), D100-C89 (PAE: 2.5) D100-F73 (PDBs: 1F5Y, 5OYL), D100-C95 (PDBs: 2M7P, 5OYL), D100-D94 (PDBs: 5OYL), D100-C89 (PDBs: 5OYL), D100-R88 (PDBs: 5OYL), D100-V93 (PDBs: 5OYL) D100-C95 (PAE: 3.5), D100-D94 (PAE: 4.0), D100-C89 (PAE: 2.5), D100-R88 (PAE: 4.5), D100-V93 (PAE: 3.0), D100-F73 (PAE: 4.0) 10.5200 0.8622 6.0397 3.6180 101 E Glutamic Acid Negatively-charged Helix C (loop/coil) T (turn) 56 -96.0 2.6 79.69 Low-density lipoprotein receptor LDL-receptor class A 2 Extracellular 146 -3.5 E101-D90 (PDBs: 5OYL), E101-G91 (PDBs: 5OYL) E101-G91 (PAE: 3.5) E101-Q92 (PDBs: 5OYL), E101-D90 (PDBs: 5OYL), E101-C89 (PDBs: 5OYL), E101-G91 (PDBs: 5OYL) E101-Q92 (PAE: 2.5), E101-D90 (PAE: 3.5), E101-C89 (PAE: 3.0), E101-G91 (PAE: 3.5) D:E101-A:T373 (PDBs: 5OYL) 5.7400 -0.4423 2.5662 3.6180 102 Q Glutamine Polar/Neutral Beta strand C (loop/coil) S (bend) 132 -95.6 127.0 74.75 Low-density lipoprotein receptor LDL-receptor class A 2 Extracellular 146 -3.5 Q102-G98 (PDBs: 1F5Y), Q102-R88 (PDBs: 5OYL), Q102-N97 (PDBs: 5OYL) Q102-G98 (PAE: 4.0) Q102-N97 (PDBs: 1F5Y), Q102-G98 (PDBs: 1F5Y, 2M7P, 5OYL), Q102-V93 (PDBs: 1F5Y) Q102-G98 (PAE: 4.0) 5.3600 -1.4758 3.2201 3.6180 103 G Glycine Special, lack of a chiral carbon, smallest amino acid, very flexible Beta strand C (loop/coil) S (bend) 74 80.9 28.7 72.06 Low-density lipoprotein receptor LDL-receptor class A 2 Extracellular 75 -0.4 G103-G98 (PDBs: 1F5Y), G103-R88 (PDBs: 5OYL) G103-G98 (PDBs: 1F5Y), G103-S99 (PDBs: 1F5Y) 8.6900 1.8506 3.2201 3.6180 104 C Cysteine Special, a very reactive sulfhydryl group Beta strand H (helix) P (polyproline helix) 46 -72.3 135.9 66.88 Low-density lipoprotein receptor Disulfide bond 89-104 LDL-receptor class A 2 Extracellular 121 2.5 C104-C89 (PDBs: 5OYL) C104-C89 (PAE: 7.5) C104-C89 (PDBs: 1F5Y, 2M7P, 5OYL) C104-C89 (PAE: 7.5) D:C104-A:E374 (PDBs: 5OYL) D:C104-A:T372 (PDBs: 5OYL), D:C104-A:T373 (PDBs: 5OYL), D:C104-A:E374 (PDBs: 5OYL) 15.5400 2.6074 7.5464 3.6180 1.7725 105 P Proline Special, No backbone hydrogen H (helix) P (polyproline helix) 92 -59.7 153.8 64.12 Low-density lipoprotein receptor LDL-receptor class A 2 Extracellular 115 -1.6 dbSNP: rs13306510; Variant type: LB/B; AA change: Pro105Ser; PTM type: Phosphorylation; PTM morphology: P*PKTCsQDEFR; Var class: II D:P105-A:E374 (PDBs: 5OYL) 1.9700 0.5462 -2.1907 3.6180 106 P Proline Special, No backbone hydrogen H (helix) P (polyproline helix) 111 -56.1 122.1 59.75 Low-density lipoprotein receptor LDL-receptor class A 2 Extracellular 115 -1.6 1.9700 0.5462 -2.1907 3.6180 107 K Lysine Positively-charged C (loop/coil) C (loop/coil) 93 -57.3 109.2 54.78 Low-density lipoprotein receptor LDL-receptor class A 3 Extracellular 147 -3.9 K107-E113 (PDBs: 2FCW) K107-C121 (PDBs: 2FCW) K107-E113 (PDBs: 2FCW) 4.8700 0.3020 0.9512 3.6180 108 T Threonine Polar/Neutral Helix C (loop/coil) C (loop/coil) 137 -89.8 109.3 60.81 Low-density lipoprotein receptor LDL-receptor class A 3 Extracellular 119 -0.7 -0.8100 -1.6869 -2.7416 3.6180 109 C Cysteine Special, a very reactive sulfhydryl group Helix C (loop/coil) C (loop/coil) 31 -62.7 148.6 68.06 Low-density lipoprotein receptor Disulfide bond 109-121 LDL-receptor class A 3 Extracellular 121 2.5 dbSNP: rs140807148; Variant type: US; AA change: Cys109Arg; PTM type: Phosphorylation; PTM morphology: PPKTC*sQDEFR; Var class: II C109-E113 (PDBs: 2FCW, 5OY9), C109-R115 (PDBs: 2FCW, 5OY9), C109-C121 (PDBs: 2FCW, 5OY9) C109-E113 (PAE: 6.5), C109-R115 (PAE: 5.5), C109-C121 (PAE: 5.5) C109-C121 (PDBs: 2FCW, 5OY9) C109-C121 (PAE: 5.5) 11.3900 2.6074 5.1664 3.6180 110 S Serine Polar/Neutral Helix C (loop/coil) C (loop/coil) 68 -62.3 164.8 68.38 Low-density lipoprotein receptor LDL-receptor class A 3 Extracellular 105 -0.8 Morphology: GCPPKTCsQDEFRCH; Domain: Ldl_recept_a 2.7100 -1.0776 0.1676 3.6180 111 Q Glutamine Polar/Neutral C (loop/coil) T (turn) 170 -59.9 -23.0 69.19 Low-density lipoprotein receptor LDL-receptor class A 3 Extracellular 146 -3.5 3.5300 -1.4758 1.3910 3.6180 112 D Aspartic Acid Negatively-charged C (loop/coil) T (turn) 117 -92.0 2.0 72.19 Low-density lipoprotein receptor LDL-receptor class A 3 Extracellular 132 -3.5 D112-R124 (PAE: 3.5) D112-S123 (PDBs: 5OY9), D112-R124 (PDBs: 5OY9) D112-S123 (PAE: 3.5), D112-R124 (PAE: 3.5) 7.7000 0.8622 3.2201 3.6180 113 E Glutamic Acid Negatively-charged Beta strand B (undefined) E (parallel sheets) 84 -116.2 142.4 77.06 Low-density lipoprotein receptor LDL-receptor class A 3 Extracellular 146 -3.5 E113-K107 (PDBs: 2FCW) E113-I122 (PDBs: 2FCW, 5OY9), E113-C109 (PDBs: 2FCW, 5OY9), E113-R124 (PDBs: 2FCW), E113-C121 (PDBs: 2FCW, 5OY9) E113-I122 (PAE: 2.5), E113-C109 (PAE: 6.5), E113-C121 (PAE: 4.0) E113-K107 (PDBs: 2FCW) 9.8000 -0.4423 6.6238 3.6180 114 F Phenylalanine Aromatic Beta strand B (undefined) E (parallel sheets) 65 -95.2 136.7 75.88 Low-density lipoprotein receptor LDL-receptor class A 3 Extracellular 165 2.8 F114-I122 (PDBs: 2FCW, 5OY9) F114-I122 (PAE: 2.0) F114-V127 (PDBs: 2FCW, 5OY9), F114-D139 (PDBs: 2FCW), F114-I122 (PDBs: 2FCW, 5OY9), F114-C121 (PDBs: 2FCW) F114-V127 (PAE: 3.0), F114-D139 (PAE: 3.0), F114-I122 (PAE: 2.0), F114-C121 (PAE: 2.0) 10.0200 1.3991 5.0003 3.6180 115 R Arginine Positively-charged Beta strand B (undefined) E (parallel sheets) 156 -93.2 108.4 79.81 Low-density lipoprotein receptor LDL-receptor class A 3 Extracellular 175 -4.5 R115-K120 (PDBs: 2FCW), R115-C109 (PDBs: 2FCW, 5OY9), R115-G119 (PDBs: 2FCW, 5OY9) R115-K120 (PAE: 3.0), R115-C109 (PAE: 5.5) 4.5900 -1.0025 1.9775 3.6180 116 C Cysteine Special, a very reactive sulfhydryl group C (loop/coil) C (loop/coil) 1 -56.3 153.7 80.88 Low-density lipoprotein receptor Disulfide bond 116-134 LDL-receptor class A 3 Extracellular 121 2.5 C116-K120 (PDBs: 2FCW, 5OY9) C116-K120 (PAE: 4.5) C116-C134 (PDBs: 2FCW, 5OY9), C116-K120 (PDBs: 2FCW, 5OY9), C116-S138 (PDBs: 2FCW, 5OY9), C116-I122 (PDBs: 2FCW, 5OY9) C116-C134 (PAE: 4.5), C116-K120 (PAE: 4.5), C116-I122 (PAE: 3.0) C116-C134 (PDBs: 2FCW, 5OY9) C116-C134 (PAE: 4.5) 15.7600 2.6074 9.5341 3.6180 117 H Histidine Positively-charged C (loop/coil) T (turn) 167 -67.7 -28.2 78.5 Low-density lipoprotein receptor LDL-receptor class A 3 Extracellular 155 -3.2 H117-S138 (PDBs: 2FCW, 5OY9) H117-S138 (PAE: 5.5) H117-S138 (PDBs: 2FCW, 5OY9), H117-D136 (PDBs: 2FCW, 5OY9) H117-S138 (PAE: 5.5), H117-D136 (PAE: 5.5) 5.8400 -1.0025 3.2201 3.6180 118 D Aspartic Acid Negatively-charged C (loop/coil) T (turn) 73 -65.2 -9.4 70.81 Low-density lipoprotein receptor LDL-receptor class A 3 Extracellular 132 -3.5 D118-D136 (PDBs: 2FCW) D118-D136 (PAE: 6.5) D118-D136 (PDBs: 2FCW, 5OY9), D118-L135 (PDBs: 2FCW, 5OY9) D118-D136 (PAE: 6.5), D118-L135 (PAE: 7.0) 8.8800 0.8622 4.3952 3.6180 119 G Glycine Special, lack of a chiral carbon, smallest amino acid, very flexible C (loop/coil) S (bend) 20 91.5 1.7 70.88 Low-density lipoprotein receptor LDL-receptor class A 3 Extracellular 75 -0.4 G119-R115 (PDBs: 2FCW, 5OY9) 9.5700 1.8506 4.1040 3.6180 120 K Lysine Positively-charged C (loop/coil) C (loop/coil) 104 -73.9 146.8 73.38 Low-density lipoprotein receptor LDL-receptor class A 3 Extracellular 147 -3.9 K120-C116 (PDBs: 2FCW, 5OY9) K120-C116 (PAE: 4.5) K120-R115 (PDBs: 2FCW), K120-C116 (PDBs: 2FCW, 5OY9) K120-R115 (PAE: 3.0), K120-C116 (PAE: 4.5) 5.9400 0.3020 2.0153 3.6180 121 C Cysteine Special, a very reactive sulfhydryl group Beta strand B (undefined) E (parallel sheets) 37 -104.2 126.8 79.81 Low-density lipoprotein receptor Disulfide bond 109-121 LDL-receptor class A 3 Extracellular 121 2.5 C121-C109 (PDBs: 2FCW, 5OY9), C121-K107 (PDBs: 2FCW), C121-E113 (PDBs: 2FCW, 5OY9), C121-F114 (PDBs: 2FCW) C121-C109 (PAE: 5.5), C121-E113 (PAE: 4.0), C121-F114 (PAE: 2.0) C121-C109 (PDBs: 2FCW, 5OY9) C121-C109 (PAE: 5.5) 13.2400 2.6074 7.0133 3.6180 122 I Isoleucine Aliphatic Beta strand B (undefined) E (parallel sheets) 14 -115.2 155.7 76.25 Low-density lipoprotein receptor LDL-receptor class A 3 Extracellular 131 4.5 I122-F114 (PDBs: 2FCW, 5OY9) I122-F114 (PAE: 2.0) I122-F114 (PDBs: 2FCW, 5OY9), I122-C116 (PDBs: 2FCW, 5OY9), I122-E113 (PDBs: 2FCW, 5OY9), I122-D133 (PDBs: 2FCW, 5OY9), I122-C134 (PDBs: 5OY9) I122-E113 (PAE: 2.5), I122-F126 (PAE: 3.0), I122-C116 (PAE: 3.0), I122-C134 (PAE: 3.0), I122-F114 (PAE: 2.0) 10.5800 0.3196 6.6447 3.6180 123 S Serine Polar/Neutral Beta strand B (undefined) E (parallel sheets) 41 -62.6 143.7 77.0 Low-density lipoprotein receptor LDL-receptor class A 3 Extracellular 105 -0.8 S123-A112 (PDBs: 2FCW), S123-D112 (PDBs: 5OY9) S123-D112 (PAE: 3.5) D:S123-A:A72 (PDBs: 5OY9) 8.3900 -1.0776 4.1061 3.6180 1.7440 124 R Arginine Positively-charged Helix H (helix) G (3₁₀-helix) 166 -57.5 -16.9 76.19 Low-density lipoprotein receptor LDL-receptor class A 3 Extracellular 175 -4.5 R124-A112 (PDBs: 2FCW) R124-D112 (PAE: 3.5) R124-A112 (PDBs: 2FCW), R124-E113 (PDBs: 2FCW), R124-D112 (PDBs: 5OY9) R124-D112 (PAE: 3.5) 6.6800 -1.0025 4.0687 3.6180 125 Q Glutamine Polar/Neutral Helix H (helix) G (3₁₀-helix) 133 -69.9 -22.1 76.75 Low-density lipoprotein receptor LDL-receptor class A 3 Extracellular 146 -3.5 B:Q125-A:E290 (PDBs: 2FCW), D:Q125-A:R375 (PDBs: 5OY9) B:Q125-A:I287 (PDBs: 2FCW), D:Q125-A:N30 (PDBs: 5OY9), D:Q125-A:A72 (PDBs: 5OY9), D:Q125-A:H29 (PDBs: 5OY9) 7.2300 -1.4758 1.5672 3.6180 3.5166 126 F Phenylalanine Aromatic Helix H (helix) G (3₁₀-helix) 76 -96.6 24.7 79.62 Low-density lipoprotein receptor LDL-receptor class A 3 Extracellular 165 2.8 F126-D133 (PDBs: 2FCW, 5OY9) F126-D139 (PAE: 3.5), F126-D133 (PAE: 3.5), F126-I122 (PAE: 3.0) B:F126-A:I287 (PDBs: 2FCW) 8.2300 1.3991 3.2116 3.6180 127 V Valine Aliphatic C (loop/coil) S (bend) 42 -109.7 116.7 80.38 Low-density lipoprotein receptor LDL-receptor class A 3 Extracellular 117 4.2 V127-D139 (PDBs: 2FCW, 5OY9), V127-F114 (PDBs: 2FCW, 5OY9) V127-D139 (PAE: 4.0), V127-F114 (PAE: 3.0) 5.2600 0.3196 1.3215 3.6180 128 C Cysteine Special, a very reactive sulfhydryl group C (loop/coil) S (bend) 54 67.5 36.4 75.25 Low-density lipoprotein receptor Disulfide bond 128-143 LDL-receptor class A 3 Extracellular 121 2.5 C128-D139 (PDBs: 2FCW) C128-E140 (PAE: 2.0) C128-E140 (PDBs: 2FCW, 5OY9), C128-C143 (PDBs: 2FCW, 5OY9), C128-D139 (PDBs: 2FCW, 5OY9) C128-E140 (PAE: 2.0), C128-C143 (PAE: 7.0), C128-D139 (PAE: 2.5) C128-C143 (PDBs: 2FCW, 5OY9) C128-C143 (PAE: 7.0) D:C128-A:R375 (PDBs: 5OY9) D:C128-A:R375 (PDBs: 5OY9) 15.2100 2.6074 7.2144 3.6180 1.7725 129 D Aspartic Acid Negatively-charged Beta strand C (loop/coil) S (bend) 57 -98.1 10.4 73.94 Low-density lipoprotein receptor LDL-receptor class A 3 Extracellular 132 -3.5 D129-E140 (PDBs: 2FCW) D129-E140 (PDBs: 2FCW, 5OY9) D129-E140 (PAE: 3.0) B:D129-A:K291 (PDBs: 2FCW), D:D129-A:K68 (PDBs: 5OY9) D:D129-A:I368 (PDBs: 5OY9) B:D129-A:K291 (PDBs: 2FCW), D:D129-A:K68 (PDBs: 5OY9) 11.4800 0.8622 3.1691 3.6180 3.8343 130 S Serine Polar/Neutral Beta strand C (loop/coil) S (bend) 61 68.3 5.6 68.12 Low-density lipoprotein receptor LDL-receptor class A 3 Extracellular 105 -0.8 S130-E174 (PDBs: 2FCW), S130-E140 (PDBs: 2FCW) S130-S158 (PAE: 14.5), S130-E140 (PAE: 3.0) S130-E174 (PDBs: 2FCW), S130-E140 (PDBs: 2FCW, 5OY9) S130-S158 (PAE: 14.5), S130-E140 (PAE: 3.0), S130-S157 (PAE: 15.5) D:S130-A:T373 (PDBs: 5OY9) D:S130-A:I368 (PDBs: 5OY9), D:S130-A:T371 (PDBs: 5OY9), D:S130-A:T373 (PDBs: 5OY9) 8.0500 -1.0776 1.9940 3.6180 3.5166 131 D Aspartic Acid Negatively-charged Beta strand C (loop/coil) S (bend) 110 -105.4 149.1 76.19 Low-density lipoprotein receptor LDL-receptor class A 3 Extracellular 132 -3.5 D131-E140 (PDBs: 5OY9) D131-E140 (PDBs: 2FCW, 5OY9) D131-E140 (PAE: 2.5) B:D131-A:K291 (PDBs: 2FCW), B:D131-A:R306 (PDBs: 2FCW), D:D131-A:K68 (PDBs: 5OY9) D:D131-A:I203 (PDBs: 5OY9), D:D131-A:M205 (PDBs: 5OY9), D:D131-A:S204 (PDBs: 5OY9) B:D131-A:K291 (PDBs: 2FCW), B:D131-A:R306 (PDBs: 2FCW), D:D131-A:K68 (PDBs: 5OY9) 12.4400 0.8622 4.1226 3.6180 3.8343 132 R Arginine Positively-charged C (loop/coil) C (loop/coil) 179 -94.8 77.7 77.62 Low-density lipoprotein receptor LDL-receptor class A 3 Extracellular 175 -4.5 R132-D136 (PAE: 3.0) R132-G137 (PDBs: 2FCW, 5OY9), R132-D139 (PDBs: 2FCW), R132-D136 (PDBs: 5OY9) R132-G137 (PAE: 3.0), R132-D139 (PAE: 2.5), R132-D136 (PAE: 3.0) B:R132-A:R306 (PDBs: 2FCW) D:R132-A:I203 (PDBs: 5OY9) 6.3800 -1.0025 1.9967 3.6180 1.7725 133 D Aspartic Acid Negatively-charged C (loop/coil) C (loop/coil) 54 -80.4 -29.9 81.12 Low-density lipoprotein receptor LDL-receptor class A 3 Extracellular 132 -3.5 D133-D139 (PDBs: 2FCW) D133-D139 (PAE: 4.0) D133-F126 (PDBs: 2FCW, 5OY9), D133-D139 (PDBs: 2FCW, 5OY9), D133-I122 (PDBs: 2FCW, 5OY9) D133-F126 (PAE: 3.5), D133-D139 (PAE: 4.0) B:D133-A:K291 (PDBs: 2FCW) D:D133-A:I203 (PDBs: 5OY9) B:D133-A:K291 (PDBs: 2FCW) 11.9700 0.8622 3.6597 3.6180 3.8343 134 C Cysteine Special, a very reactive sulfhydryl group C (loop/coil) S (bend) 0 -82.4 133.3 81.0 Low-density lipoprotein receptor Disulfide bond 116-134 LDL-receptor class A 3 Extracellular 121 2.5 C134-D139 (PDBs: 2FCW) C134-D139 (PAE: 3.0) C134-S138 (PDBs: 2FCW, 5OY9), C134-C116 (PDBs: 2FCW, 5OY9), C134-D139 (PDBs: 2FCW, 5OY9), C134-I122 (PDBs: 5OY9) C134-I122 (PAE: 3.0), C134-C116 (PAE: 4.5), C134-S138 (PAE: 4.5), C134-D139 (PAE: 3.0) C134-C116 (PDBs: 2FCW, 5OY9) C134-C116 (PAE: 4.5) 16.9100 2.6074 10.6880 3.6180 135 L Leucine Aliphatic C (loop/coil) T (turn) 141 -61.3 -27.3 75.12 Low-density lipoprotein receptor LDL-receptor class A 3 Extracellular 131 3.8 L135-D118 (PDBs: 2FCW, 5OY9) L135-D118 (PAE: 7.0) 6.4900 0.3196 2.5476 3.6180 136 D Aspartic Acid Negatively-charged C (loop/coil) T (turn) 55 -87.0 -13.5 78.25 Low-density lipoprotein receptor LDL-receptor class A 3 Extracellular 132 -3.5 D136-D118 (PDBs: 2FCW) D136-D118 (PAE: 6.5), D136-R132 (PAE: 3.0) D136-D118 (PDBs: 2FCW, 5OY9), D136-H117 (PDBs: 2FCW, 5OY9), D136-R132 (PDBs: 5OY9) D136-D118 (PAE: 6.5), D136-H117 (PAE: 5.5), D136-R132 (PAE: 3.0) 8.8800 0.8622 4.3952 3.6180 137 G Glycine Special, lack of a chiral carbon, smallest amino acid, very flexible C (loop/coil) C (loop/coil) 10 75.3 23.5 74.69 Low-density lipoprotein receptor LDL-receptor class A 3 Extracellular 75 -0.4 G137-A141 (PDBs: 2FCW) G137-A141 (PDBs: 2FCW, 5OY9), G137-R132 (PDBs: 2FCW, 5OY9) G137-A141 (PAE: 4.0), G137-R132 (PAE: 3.0) 10.2700 1.8506 4.7978 3.6180 138 S Serine Polar/Neutral Turn C (loop/coil) T (turn) 27 -66.3 -28.7 83.25 Low-density lipoprotein receptor LDL-receptor class A 3 Extracellular 105 -0.8 S138-H117 (PDBs: 2FCW, 5OY9) S138-H117 (PAE: 5.5) S138-C116 (PDBs: 2FCW, 5OY9), S138-H117 (PDBs: 2FCW, 5OY9), S138-C134 (PDBs: 2FCW, 5OY9) S138-H117 (PAE: 5.5), S138-C134 (PAE: 4.5) 7.8900 -1.0776 5.3487 3.6180 139 D Aspartic Acid Negatively-charged Turn C (loop/coil) T (turn) 2 -58.1 -40.5 80.5 Low-density lipoprotein receptor LDL-receptor class A 3 Extracellular 132 -3.5 D139-C134 (PDBs: 2FCW), D139-D133 (PDBs: 2FCW), D139-C128 (PDBs: 2FCW) D139-C134 (PAE: 3.0), D139-D133 (PAE: 4.0) D139-C134 (PDBs: 2FCW, 5OY9), D139-C128 (PDBs: 2FCW, 5OY9), D139-C143 (PDBs: 2FCW), D139-V127 (PDBs: 2FCW, 5OY9), D139-R132 (PDBs: 2FCW), D139-D133 (PDBs: 2FCW, 5OY9), D139-F114 (PDBs: 2FCW) D139-C134 (PAE: 3.0), D139-C128 (PAE: 2.5), D139-C143 (PAE: 4.0), D139-F126 (PAE: 3.5), D139-V127 (PAE: 4.0), D139-R132 (PAE: 2.5), D139-D133 (PAE: 4.0), D139-F114 (PAE: 3.0) 10.5200 0.8622 6.0397 3.6180 140 E Glutamic Acid Negatively-charged Turn C (loop/coil) T (turn) 51 -95.5 -9.6 81.75 Low-density lipoprotein receptor LDL-receptor class A 3 Extracellular 146 -3.5 E140-S130 (PDBs: 2FCW), E140-D129 (PDBs: 2FCW), E140-D131 (PDBs: 5OY9) E140-S130 (PAE: 3.0), E140-C128 (PAE: 2.0) E140-D129 (PDBs: 2FCW, 5OY9), E140-D131 (PDBs: 2FCW, 5OY9), E140-C128 (PDBs: 2FCW, 5OY9), E140-S130 (PDBs: 2FCW, 5OY9) E140-D131 (PAE: 2.5), E140-S130 (PAE: 3.0), E140-C128 (PAE: 2.0), E140-D129 (PAE: 3.0) 6.7000 -0.4423 3.5196 3.6180 141 A Alanine Aliphatic Turn C (loop/coil) T (turn) 83 -76.3 -18.4 73.44 Low-density lipoprotein receptor LDL-receptor class A 3 Extracellular 89 1.8 A141-G137 (PDBs: 2FCW) A141-G137 (PDBs: 2FCW, 5OY9) A141-G137 (PAE: 4.0) 7.5500 0.7136 3.2201 3.6180 142 S Serine Polar/Neutral Turn C (loop/coil) T (turn) 110 -131.2 29.5 71.06 Low-density lipoprotein receptor LDL-receptor class A 3 Extracellular 105 -0.8 S142-L146 (PDBs: 2FCW) S142-L146 (PDBs: 2FCW) 5.7600 -1.0776 3.2201 3.6180 143 C Cysteine Special, a very reactive sulfhydryl group Helix C (loop/coil) C (loop/coil) 36 -72.4 131.3 68.88 Low-density lipoprotein receptor Disulfide bond 128-143 LDL-receptor class A 3 Extracellular 121 2.5 C143-T147 (PDBs: 2FCW) C143-T147 (PDBs: 2FCW), C143-C128 (PDBs: 2FCW, 5OY9), C143-D139 (PDBs: 2FCW) C143-C128 (PAE: 7.0), C143-D139 (PAE: 4.0) C143-C128 (PDBs: 2FCW, 5OY9) C143-C128 (PAE: 7.0) D:C143-A:E374 (PDBs: 5OY9) 14.1200 2.6074 7.8896 3.6180 144 P Proline Special, No backbone hydrogen Helix C (loop/coil) C (loop/coil) 108 -53.7 126.8 63.59 Low-density lipoprotein receptor LDL-receptor class A 3 Extracellular 115 -1.6 P144-C148 (PDBs: 2FCW) P144-S158 (PDBs: 2FCW), P144-C148 (PDBs: 2FCW) D:P144-A:E374 (PDBs: 5OY9) 6.8300 0.5462 2.6692 3.6180 145 V Valine Aliphatic Helix C (loop/coil) C (loop/coil) 114 -57.9 105.1 55.97 Low-density lipoprotein receptor LDL-receptor class A 3 Extracellular 117 4.2 0.4600 0.3196 -3.4784 3.6180 146 L Leucine Aliphatic Helix C (loop/coil) C (loop/coil) 123 -71.4 84.9 53.75 Low-density lipoprotein receptor LDL-receptor class A 4 Binding to Getah virus E1-E2 spike glycoproteins Extracellular 131 3.8 L146-S142 (PDBs: 2FCW) L146-S142 (PDBs: 2FCW) 5.4400 0.3196 0.9351 4.1831 147 T Threonine Polar/Neutral Helix C (loop/coil) C (loop/coil) 116 -57.7 109.2 58.84 Low-density lipoprotein receptor LDL-receptor class A 4 Binding to Getah virus E1-E2 spike glycoproteins Extracellular 119 -0.7 T147-C143 (PDBs: 2FCW), T147-S152 (PDBs: 2FCW) T147-S143 (PDBs: 2LGP), T147-C143 (PDBs: 2FCW), T147-S152 (PDBs: 2FCW, 2KRI), T147-C160 (PDBs: 2KRI) 3.4300 -1.6869 0.9351 4.1831 148 C Cysteine Special, a very reactive sulfhydryl group Beta strand C (loop/coil) C (loop/coil) 23 -49.7 145.1 68.56 Low-density lipoprotein receptor Disulfide bond 148-160 LDL-receptor class A 4 Binding to Getah virus E1-E2 spike glycoproteins Extracellular 121 2.5 C148-P144 (PDBs: 2FCW) C148-S152 (PDBs: 2FCW, 2KRI), C148-C160 (PDBs: 2FCW, 2KRI), C148-P144 (PDBs: 2FCW) C148-S152 (PAE: 5.5), C148-C160 (PAE: 5.5), C148-Q154 (PAE: 5.5) C148-C160 (PDBs: 2LGP, 2FCW, 2KRI) C148-C160 (PAE: 5.5) 13.9000 2.6074 7.1090 4.1831 149 G Glycine Special, lack of a chiral carbon, smallest amino acid, very flexible Beta strand C (loop/coil) C (loop/coil) 37 -58.0 165.6 68.31 Low-density lipoprotein receptor LDL-receptor class A 4 Binding to Getah virus E1-E2 spike glycoproteins Extracellular 75 -0.4 6.2000 1.8506 0.1676 4.1831 150 P Proline Special, No backbone hydrogen Beta strand C (loop/coil) T (turn) 139 -61.4 -4.9 69.38 Low-density lipoprotein receptor LDL-receptor class A 4 Binding to Getah virus E1-E2 spike glycoproteins Extracellular 115 -1.6 1.8000 0.5462 -2.9275 4.1831 151 A Alanine Aliphatic Beta strand C (loop/coil) T (turn) 76 -114.8 15.6 67.94 Low-density lipoprotein receptor LDL-receptor class A 4 Binding to Getah virus E1-E2 spike glycoproteins Extracellular 89 1.8 Pocket 4: Mean pLDDT: 85.58, Volume: 477.18 ų, Druggability score: 0.05 0.0541 A151-Q163 (PDBs: 2FCW, 2KRI) A151-Q163 (PAE: 3.5) A151-P162 (PDBs: 2FCW, 2KRI), A151-Q163 (PDBs: 2FCW, 2KRI) A151-P162 (PAE: 3.5), A151-Q163 (PAE: 3.5) 8.1200 0.7136 3.2201 4.1831 152 S Serine Polar/Neutral Beta strand B (undefined) E (parallel sheets) 32 -130.1 135.4 75.38 Low-density lipoprotein receptor LDL-receptor class A 4 Binding to Getah virus E1-E2 spike glycoproteins Extracellular 105 -0.8 S152-T147 (PDBs: 2FCW) S152-Q163 (PDBs: 2LGP, 2FCW), S152-I161 (PDBs: 2FCW, 2KRI), S152-T147 (PDBs: 2FCW, 2KRI), S152-C148 (PDBs: 2FCW, 2KRI) S152-Q163 (PAE: 3.0), S152-I161 (PAE: 3.5), S152-C148 (PAE: 5.5) 9.0600 -1.0776 5.9537 4.1831 153 F Phenylalanine Aromatic Beta strand B (undefined) E (parallel sheets) 31 -87.1 134.4 78.06 Low-density lipoprotein receptor LDL-receptor class A 4 Binding to Getah virus E1-E2 spike glycoproteins Extracellular 165 2.8 F153-I161 (PDBs: 2LGP, 2FCW, 2KRI) F153-I161 (PAE: 2.0) F153-I161 (PDBs: 2LGP, 2FCW, 2KRI), F153-Q163 (PDBs: 2LGP, 2FCW), F153-D178 (PDBs: 2FCW, 2KRI), F153-C160 (PDBs: 2FCW, 2KRI), F153-A166 (PDBs: 2FCW) F153-D178 (PAE: 2.5), F153-C160 (PAE: 2.0), F153-I161 (PAE: 2.0), F153-Q163 (PAE: 2.5), F153-A166 (PAE: 2.5) 11.5400 1.3991 5.9537 4.1831 154 Q Glutamine Polar/Neutral Beta strand B (undefined) E (parallel sheets) 60 -94.4 110.5 81.44 Low-density lipoprotein receptor LDL-receptor class A 4 Binding to Getah virus E1-E2 spike glycoproteins Extracellular 146 -3.5 Q154-R183 (PDBs: 2FCW, 2KRI), Q154-S158 (PDBs: 2FCW) Q154-R183 (PAE: 5.0) Q154-T159 (PDBs: 2FCW, 2KRI), Q154-C160 (PDBs: 2FCW, 2KRI), Q154-S158 (PDBs: 2FCW) Q154-C148 (PAE: 5.5), Q154-T159 (PAE: 2.5) 5.8800 -1.4758 3.1712 4.1831 155 C Cysteine Special, a very reactive sulfhydryl group C (loop/coil) C (loop/coil) 2 -57.7 157.8 81.94 Low-density lipoprotein receptor Disulfide bond 155-173 LDL-receptor class A 4 Binding to Getah virus E1-E2 spike glycoproteins Extracellular 121 2.5 C155-T159 (PDBs: 2LGP, 2FCW, 2KRI) C155-T159 (PAE: 4.0) C155-T159 (PDBs: 2LGP, 2FCW, 2KRI), C155-S177 (PDBs: 2FCW, 2KRI), C155-C173 (PDBs: 2FCW, 2KRI) C155-I161 (PAE: 2.0), C155-T159 (PAE: 4.0), C155-C173 (PAE: 3.5) C155-C173 (PDBs: 2LGP, 2FCW, 2KRI) C155-C173 (PAE: 3.5) 16.3200 2.6074 9.5341 4.1831 156 N Asparagine Polar/Neutral Turn C (loop/coil) T (turn) 76 -65.5 -24.3 80.0 Low-density lipoprotein receptor LDL-receptor class A 4 N-linked (GlcNAc...) asparagine Binding to Getah virus E1-E2 spike glycoproteins Extracellular 132 -3.5 N156-R183 (PDBs: 2FCW, 2KRI), N156-S177 (PDBs: 2FCW, 2KRI) N156-R183 (PAE: 4.5), N156-S177 (PAE: 3.5) N156-S177 (PDBs: 2LGP, 2FCW, 2KRI), N156-D175 (PDBs: 2FCW, 2KRI) N156-D175 (PAE: 4.5), N156-S177 (PAE: 3.5) 7.5000 -1.0776 4.3952 4.1831 157 S Serine Polar/Neutral Turn C (loop/coil) T (turn) 29 -68.0 9.2 71.69 Low-density lipoprotein receptor LDL-receptor class A 4 Binding to Getah virus E1-E2 spike glycoproteins Extracellular 105 -0.8 S157-E174 (PDBs: 2FCW, 2KRI) S157-S177 (PDBs: 2LGP), S157-E174 (PDBs: 2FCW, 2KRI), S157-D175 (PDBs: 2FCW, 2KRI) S157-D175 (PAE: 5.0), S157-S130 (PAE: 15.5) 7.5000 -1.0776 4.3952 4.1831 158 S Serine Polar/Neutral Turn C (loop/coil) S (bend) 60 62.4 3.1 70.88 Low-density lipoprotein receptor LDL-receptor class A 4 Binding to Getah virus E1-E2 spike glycoproteins Extracellular 105 -0.8 S158-Q154 (PDBs: 2FCW) S158-S130 (PAE: 14.5) S158-Q154 (PDBs: 2FCW), S158-P144 (PDBs: 2FCW) S158-S130 (PAE: 14.5) 5.1000 -1.0776 1.9940 4.1831 159 T Threonine Polar/Neutral C (loop/coil) C (loop/coil) 68 -70.4 136.9 74.69 Low-density lipoprotein receptor LDL-receptor class A 4 Binding to Getah virus E1-E2 spike glycoproteins Extracellular 119 -0.7 T159-C155 (PDBs: 2LGP, 2FCW, 2KRI), T159-E174 (PDBs: 2FCW) T159-C155 (PAE: 4.0) T159-C155 (PDBs: 2LGP, 2FCW, 2KRI), T159-Q154 (PDBs: 2FCW, 2KRI) T159-Q154 (PAE: 2.5), T159-C155 (PAE: 4.0) 6.3400 -1.6869 3.8443 4.1831 160 C Cysteine Special, a very reactive sulfhydryl group Beta strand B (undefined) E (parallel sheets) 44 -96.9 115.0 80.62 Low-density lipoprotein receptor Disulfide bond 148-160 LDL-receptor class A 4 Binding to Getah virus E1-E2 spike glycoproteins Extracellular 121 2.5 C160-F153 (PDBs: 2FCW, 2KRI), C160-C148 (PDBs: 2FCW, 2KRI), C160-Q154 (PDBs: 2FCW, 2KRI), C160-T147 (PDBs: 2KRI) C160-F153 (PAE: 2.0), C160-C148 (PAE: 5.5) C160-C148 (PDBs: 2LGP, 2FCW, 2KRI) C160-C148 (PAE: 5.5) 13.1100 2.6074 6.3223 4.1831 161 I Isoleucine Aliphatic Beta strand B (undefined) E (parallel sheets) 10 -97.8 155.8 77.94 Low-density lipoprotein receptor LDL-receptor class A 4 Binding to Getah virus E1-E2 spike glycoproteins Extracellular 131 4.5 I161-F153 (PDBs: 2LGP, 2FCW, 2KRI) I161-F153 (PAE: 2.0) I161-A166 (PDBs: 2LGP), I161-F153 (PDBs: 2LGP, 2FCW, 2KRI), I161-S152 (PDBs: 2FCW, 2KRI), I161-D172 (PDBs: 2KRI), I161-C173 (PDBs: 2KRI), I161-W165 (PDBs: 2KRI) I161-S152 (PAE: 3.5), I161-C155 (PAE: 2.0), I161-C173 (PAE: 2.5), I161-W165 (PAE: 3.5), I161-F153 (PAE: 2.0) 10.4600 0.3196 5.9537 4.1831 162 P Proline Special, No backbone hydrogen Beta strand B (undefined) E (parallel sheets) 42 -52.7 139.0 76.5 Low-density lipoprotein receptor LDL-receptor class A 4 Binding to Getah virus E1-E2 spike glycoproteins Extracellular 115 -1.6 Pocket 4: Mean pLDDT: 85.58, Volume: 477.18 ų, Druggability score: 0.05 0.0541 Pocket 2: Pocket prob: 0.32%, Mean pLDDT: 89.46 0.32 P162-A166 (PDBs: 2LGP) P162-A166 (PDBs: 2LGP, 2FCW, 2KRI), P162-A151 (PDBs: 2FCW, 2KRI) P162-A151 (PAE: 3.5) 10.6800 0.5462 5.9537 4.1831 163 Q Glutamine Polar/Neutral Helix H (helix) G (3₁₀-helix) 107 -65.5 -15.3 75.38 Low-density lipoprotein receptor LDL-receptor class A 4 Binding to Getah virus E1-E2 spike glycoproteins Extracellular 146 -3.5 Pocket 1: Mean pLDDT: 79.96, Volume: 1865.68 ų, Druggability score: 0.58 0.5753 Q163-A151 (PDBs: 2FCW, 2KRI) Q163-A151 (PAE: 3.5) Q163-F153 (PDBs: 2LGP, 2FCW), Q163-S152 (PDBs: 2LGP, 2FCW), Q163-A151 (PDBs: 2FCW, 2KRI) Q163-F153 (PAE: 2.5), Q163-A151 (PAE: 3.5), Q163-S152 (PAE: 3.0) 7.9500 -1.4758 5.2439 4.1831 164 L Leucine Aliphatic Helix H (helix) G (3₁₀-helix) 141 -64.3 -20.1 73.44 Low-density lipoprotein receptor LDL-receptor class A 4 Binding to Getah virus E1-E2 spike glycoproteins Extracellular 131 3.8 Pocket 1: Mean pLDDT: 79.96, Volume: 1865.68 ų, Druggability score: 0.58 0.5753 Pocket 2: Pocket prob: 0.32%, Mean pLDDT: 89.46 0.32 L164-D168 (PDBs: 2FCW, 2KRI) B:L164-A:C327 (PDBs: 2KRI), B:L164-A:K326 (PDBs: 2KRI) 6.0700 0.3196 1.5672 4.1831 165 W Tryptophan Aromatic Helix H (helix) G (3₁₀-helix) 114 -102.2 11.1 78.75 Low-density lipoprotein receptor LDL-receptor class A 4 Mutation: W -> I. Partial loss of binding to Getah virus E2-E1 spike glycoproteins. Binding to Getah virus E1-E2 spike glycoproteins Extracellular 204 -0.9 Pocket 2: Pocket prob: 0.32%, Mean pLDDT: 89.46 0.32 W165-D172 (PDBs: 2FCW, 2KRI), W165-D178 (PDBs: 2KRI), W165-I161 (PDBs: 2KRI) W165-D178 (PAE: 3.0), W165-I161 (PAE: 3.5), W165-D172 (PAE: 3.5) B:W165-A:K329 (PDBs: 2KRI) 9.8500 1.3991 2.5206 4.1831 1.7440 166 A Alanine Aliphatic C (loop/coil) S (bend) 24 -93.3 121.4 76.0 Low-density lipoprotein receptor LDL-receptor class A 4 Binding to Getah virus E1-E2 spike glycoproteins Extracellular 89 1.8 Pocket 1: Mean pLDDT: 79.96, Volume: 1865.68 ų, Druggability score: 0.58 0.5753 A166-P162 (PDBs: 2LGP) A166-I161 (PDBs: 2LGP), A166-P162 (PDBs: 2LGP, 2FCW, 2KRI), A166-D178 (PDBs: 2FCW, 2KRI), A166-F153 (PDBs: 2FCW) A166-F153 (PAE: 2.5) 10.2500 0.7136 5.3487 4.1831 167 C Cysteine Special, a very reactive sulfhydryl group C (loop/coil) S (bend) 59 66.2 34.2 78.75 Low-density lipoprotein receptor Disulfide bond 167-184 LDL-receptor class A 4 Binding to Getah virus E1-E2 spike glycoproteins Extracellular 121 2.5 Pocket 1: Mean pLDDT: 79.96, Volume: 1865.68 ų, Druggability score: 0.58 0.5753 C167-D178 (PDBs: 2FCW, 2KRI) C167-E179 (PAE: 2.5) C167-D178 (PDBs: 2FCW, 2KRI), C167-E179 (PDBs: 2FCW, 2KRI), C167-C184 (PDBs: 2FCW, 2KRI) C167-D178 (PAE: 2.5), C167-E179 (PAE: 2.5), C167-C184 (PAE: 7.0) C167-C184 (PDBs: 2LGP, 2FCW, 2KRI) C167-C184 (PAE: 7.0) B:C167-A:K305 (PDBs: 2KRI) 16.1800 2.6074 9.3940 4.1831 168 D Aspartic Acid Negatively-charged Beta strand C (loop/coil) S (bend) 60 -94.0 9.9 76.5 Low-density lipoprotein receptor LDL-receptor class A 4 Mutation: D -> K. Partial loss of binding to Getah virus E2-E1 spike glycoproteins. Binding to Getah virus E1-E2 spike glycoproteins Extracellular 132 -3.5 Pocket 1: Mean pLDDT: 79.96, Volume: 1865.68 ų, Druggability score: 0.58 0.5753 D168-E179 (PDBs: 2LGP, 2FCW, 2KRI) D168-E179 (PAE: 2.0) D168-E179 (PDBs: 2FCW, 2KRI), D168-L164 (PDBs: 2FCW, 2KRI) D168-E179 (PAE: 2.0) B:D168-A:K277 (PDBs: 2FCW), B:D168-A:K303 (PDBs: 2KRI), B:D168-A:K329 (PDBs: 2KRI) B:D168-A:K305 (PDBs: 2KRI) B:D168-A:K277 (PDBs: 2FCW), B:D168-A:K303 (PDBs: 2KRI), B:D168-A:K329 (PDBs: 2KRI) 13.6900 0.8622 4.8136 4.1831 3.8343 169 N Asparagine Polar/Neutral Beta strand C (loop/coil) S (bend) 132 68.1 6.4 72.62 Low-density lipoprotein receptor LDL-receptor class A 4 Binding to Getah virus E1-E2 spike glycoproteins Extracellular 132 -3.5 Pocket 1: Mean pLDDT: 79.96, Volume: 1865.68 ų, Druggability score: 0.58 0.5753 N169-E179 (PDBs: 2FCW, 2KRI) N169-E179 (PAE: 2.5) N169-E179 (PDBs: 2FCW, 2KRI) N169-E179 (PAE: 2.5) B:N169-A:K305 (PDBs: 2KRI) B:N169-A:K305 (PDBs: 2KRI) 9.7900 -1.0776 3.1691 4.1831 3.5166 170 D Aspartic Acid Negatively-charged Beta strand C (loop/coil) S (bend) 108 -110.9 123.4 73.44 Low-density lipoprotein receptor LDL-receptor class A 4 Binding to Getah virus E1-E2 spike glycoproteins Extracellular 132 -3.5 D170-E179 (PDBs: 2FCW, 2KRI) D170-E179 (PAE: 2.0) D170-K223 (PDBs: 2LGP) B:D170-A:K277 (PDBs: 2FCW), B:D170-A:K274 (PDBs: 2FCW), B:D170-A:K329 (PDBs: 2KRI), B:D170-A:H331 (PDBs: 2KRI) B:D170-A:L321 (PDBs: 2FCW), B:D170-A:K338 (PDBs: 2KRI), B:D170-A:T339 (PDBs: 2KRI) B:D170-A:K277 (PDBs: 2FCW), B:D170-A:K274 (PDBs: 2FCW), B:D170-A:K329 (PDBs: 2KRI), B:D170-A:K303 (PDBs: 2KRI) 11.1500 0.8622 2.2750 4.1831 3.8343 171 P Proline Special, No backbone hydrogen C (loop/coil) C (loop/coil) 94 -72.3 93.5 80.44 Low-density lipoprotein receptor LDL-receptor class A 4 Binding to Getah virus E1-E2 spike glycoproteins Extracellular 115 -1.6 P171-E179 (PDBs: 2KRI), P171-D178 (PDBs: 2KRI) P171-E179 (PAE: 2.0), P171-D178 (PAE: 2.0) B:P171-A:K338 (PDBs: 2KRI) B:P171-A:R317 (PDBs: 2FCW), B:P171-A:W337 (PDBs: 2KRI), B:P171-A:K338 (PDBs: 2KRI) 6.6700 0.5462 0.1676 4.1831 1.7725 172 D Aspartic Acid Negatively-charged C (loop/coil) C (loop/coil) 62 -86.1 -27.1 80.25 Low-density lipoprotein receptor LDL-receptor class A 4 Binding to Getah virus E1-E2 spike glycoproteins Extracellular 132 -3.5 D172-D178 (PDBs: 2FCW, 2KRI) D172-D178 (PAE: 2.5) D172-W165 (PDBs: 2FCW, 2KRI), D172-D178 (PDBs: 2FCW, 2KRI), D172-I161 (PDBs: 2KRI), D172-E179 (PDBs: 2KRI) D172-W165 (PAE: 3.5), D172-D178 (PAE: 2.5) B:D172-A:K277 (PDBs: 2FCW), B:D172-A:Y281 (PDBs: 2FCW), B:D172-A:K329 (PDBs: 2KRI), B:D172-A:K338 (PDBs: 2KRI) B:D172-A:K277 (PDBs: 2FCW), B:D172-A:K329 (PDBs: 2KRI), B:D172-A:K338 (PDBs: 2KRI) 11.8500 0.8622 2.9687 4.1831 3.8343 173 C Cysteine Special, a very reactive sulfhydryl group Beta strand C (loop/coil) S (bend) 4 -75.1 137.9 81.38 Low-density lipoprotein receptor Disulfide bond 155-173 LDL-receptor class A 4 Binding to Getah virus E1-E2 spike glycoproteins Extracellular 121 2.5 C173-D178 (PDBs: 2LGP, 2FCW, 2KRI) C173-D178 (PAE: 2.5) C173-S177 (PDBs: 2LGP, 2FCW, 2KRI), C173-D178 (PDBs: 2LGP, 2FCW, 2KRI), C173-C155 (PDBs: 2FCW, 2KRI), C173-I161 (PDBs: 2KRI) C173-S177 (PAE: 3.0), C173-C155 (PAE: 3.5), C173-I161 (PAE: 2.5), C173-D178 (PAE: 2.5) C173-C155 (PDBs: 2LGP, 2FCW, 2KRI) C173-C155 (PAE: 3.5) B:C173-A:R317 (PDBs: 2FCW) 19.2500 2.6074 10.6880 4.1831 1.7725 174 E Glutamic Acid Negatively-charged Beta strand C (loop/coil) T (turn) 187 -60.5 -24.2 78.56 Low-density lipoprotein receptor LDL-receptor class A 4 Binding to Getah virus E1-E2 spike glycoproteins Extracellular 146 -3.5 E174-T159 (PDBs: 2FCW), E174-S130 (PDBs: 2FCW), E174-S157 (PDBs: 2FCW, 2KRI) E174-S130 (PDBs: 2FCW), E174-S157 (PDBs: 2FCW, 2KRI) B:E174-A:R317 (PDBs: 2FCW) 6.1700 -0.4423 0.6542 4.1831 1.7725 175 D Aspartic Acid Negatively-charged Beta strand C (loop/coil) T (turn) 57 -101.4 1.4 80.69 Low-density lipoprotein receptor LDL-receptor class A 4 Mutation: D -> K. Partial loss of binding to Getah virus E2-E1 spike glycoproteins. Binding to Getah virus E1-E2 spike glycoproteins Extracellular 132 -3.5 D175-N156 (PDBs: 2FCW, 2KRI), D175-S157 (PDBs: 2FCW, 2KRI) D175-N156 (PAE: 4.5), D175-S157 (PAE: 5.0) 8.5600 0.8622 3.5196 4.1831 176 G Glycine Special, lack of a chiral carbon, smallest amino acid, very flexible Beta strand C (loop/coil) C (loop/coil) 12 64.2 25.9 79.06 Low-density lipoprotein receptor LDL-receptor class A 4 Binding to Getah virus E1-E2 spike glycoproteins Extracellular 75 -0.4 G176-W180 (PDBs: 2LGP) G176-W180 (PDBs: 2LGP, 2FCW, 2KRI) G176-W180 (PAE: 2.5) 10.8300 1.8506 4.7978 4.1831 177 S Serine Polar/Neutral Helix C (loop/coil) C (loop/coil) 0 -61.4 -34.0 83.62 Low-density lipoprotein receptor LDL-receptor class A 4 Binding to Getah virus E1-E2 spike glycoproteins Extracellular 105 -0.8 S177-N156 (PDBs: 2FCW, 2KRI) S177-N156 (PAE: 3.5) S177-C173 (PDBs: 2LGP, 2FCW, 2KRI), S177-S157 (PDBs: 2LGP), S177-N156 (PDBs: 2LGP, 2FCW, 2KRI), S177-C155 (PDBs: 2FCW, 2KRI), S177-R183 (PDBs: 2FCW) S177-C173 (PAE: 3.0), S177-R183 (PAE: 4.0), S177-N156 (PAE: 3.5) 8.5900 -1.0776 5.4888 4.1831 178 D Aspartic Acid Negatively-charged Helix C (loop/coil) S (bend) 0 -58.5 -38.6 81.88 Low-density lipoprotein receptor LDL-receptor class A 4 Binding to Getah virus E1-E2 spike glycoproteins Extracellular 132 -3.5 D178-C173 (PDBs: 2LGP, 2FCW, 2KRI), D178-D172 (PDBs: 2FCW, 2KRI), D178-C167 (PDBs: 2FCW, 2KRI) D178-D172 (PAE: 2.5), D178-C173 (PAE: 2.5) D178-C173 (PDBs: 2LGP, 2FCW, 2KRI), D178-C167 (PDBs: 2FCW, 2KRI), D178-C184 (PDBs: 2FCW), D178-A166 (PDBs: 2FCW, 2KRI), D178-D172 (PDBs: 2FCW, 2KRI), D178-F153 (PDBs: 2FCW, 2KRI), D178-W165 (PDBs: 2KRI), D178-P171 (PDBs: 2KRI) D178-W165 (PAE: 3.0), D178-P171 (PAE: 2.0), D178-C167 (PAE: 2.5), D178-C173 (PAE: 2.5), D178-C184 (PAE: 3.5), D178-D172 (PAE: 2.5), D178-F153 (PAE: 2.5) 11.6900 0.8622 6.6427 4.1831 179 E Glutamic Acid Negatively-charged Helix C (loop/coil) S (bend) 40 -93.1 5.2 83.25 Low-density lipoprotein receptor LDL-receptor class A 4 Binding to Getah virus E1-E2 spike glycoproteins Extracellular 146 -3.5 E179-D168 (PDBs: 2LGP, 2FCW, 2KRI), E179-N169 (PDBs: 2FCW, 2KRI) E179-N169 (PAE: 2.5), E179-D168 (PAE: 2.0), E179-C167 (PAE: 2.5) E179-N169 (PDBs: 2FCW, 2KRI), E179-D168 (PDBs: 2FCW, 2KRI), E179-D170 (PDBs: 2FCW, 2KRI), E179-C167 (PDBs: 2FCW, 2KRI), E179-P171 (PDBs: 2KRI), E179-D172 (PDBs: 2KRI) E179-N169 (PAE: 2.5), E179-P171 (PAE: 2.0), E179-D168 (PAE: 2.0), E179-D170 (PAE: 2.0), E179-C167 (PAE: 2.5) 7.8600 -0.4423 4.1226 4.1831 180 W Tryptophan Aromatic C (loop/coil) C (loop/coil) 124 -73.0 124.8 80.06 Low-density lipoprotein receptor LDL-receptor class A 4 Binding to Getah virus E1-E2 spike glycoproteins Extracellular 204 -0.9 W180-G176 (PDBs: 2LGP) W180-C184 (PAE: 3.0) W180-C184 (PDBs: 2LGP, 2FCW, 2KRI), W180-G176 (PDBs: 2LGP, 2FCW, 2KRI) W180-C184 (PAE: 3.0), W180-G176 (PAE: 2.5) 9.4300 1.3991 3.8443 4.1831 181 P Proline Special, No backbone hydrogen Helix H (helix) H (α-helix) 79 -57.6 -22.1 70.81 Low-density lipoprotein receptor LDL-receptor class A 4 Binding to Getah virus E1-E2 spike glycoproteins Extracellular 115 -1.6 P181-R185 (PAE: 6.0) P181-R185 (PDBs: 2LGP) P181-R185 (PAE: 6.0) 6.1000 0.5462 1.3725 4.1831 182 Q Glutamine Polar/Neutral Helix H (helix) H (α-helix) 164 -82.7 -24.7 66.25 Low-density lipoprotein receptor LDL-receptor class A 4 Binding to Getah virus E1-E2 spike glycoproteins Extracellular 146 -3.5 1.5100 -1.4758 -1.1934 4.1831 183 R Arginine Positively-charged Helix H (helix) H (α-helix) 111 -91.4 -26.8 68.56 Low-density lipoprotein receptor LDL-receptor class A 4 Binding to Getah virus E1-E2 spike glycoproteins Extracellular 175 -4.5 R183-N156 (PDBs: 2FCW, 2KRI), R183-Q154 (PDBs: 2FCW, 2KRI) R183-N156 (PAE: 4.5), R183-Q154 (PAE: 5.0) R183-S177 (PDBs: 2FCW) R183-S177 (PAE: 4.0) 7.5800 -1.0025 4.3952 4.1831 184 C Cysteine Special, a very reactive sulfhydryl group H (helix) H (α-helix) 42 -81.0 -15.4 69.5 Low-density lipoprotein receptor Disulfide bond 167-184 LDL-receptor class A 4 Binding to Getah virus E1-E2 spike glycoproteins Extracellular 121 2.5 C184-W180 (PAE: 3.0) C184-W180 (PDBs: 2LGP, 2FCW, 2KRI), C184-Y188 (PDBs: 2LGP), C184-C167 (PDBs: 2FCW, 2KRI), C184-D178 (PDBs: 2FCW) C184-C167 (PAE: 7.0), C184-D178 (PAE: 3.5), C184-W180 (PAE: 3.0) C184-C167 (PDBs: 2LGP, 2FCW, 2KRI) C184-C167 (PAE: 7.0) 16.8800 2.6074 10.0850 4.1831 185 R Arginine Positively-charged C (loop/coil) T (turn) 188 -82.0 93.8 54.03 Low-density lipoprotein receptor LDL-receptor class A 4 Binding to Getah virus E1-E2 spike glycoproteins Extracellular 175 -4.5 R185-P181 (PAE: 6.0) R185-P181 (PDBs: 2LGP) R185-P181 (PAE: 6.0) 2.0800 -1.0025 -1.0984 4.1831 186 G Glycine Special, lack of a chiral carbon, smallest amino acid, very flexible C (loop/coil) T (turn) 63 178.5 -15.8 48.75 Low-density lipoprotein receptor LDL-receptor class A 4 Binding to Getah virus E1-E2 spike glycoproteins Extracellular 75 -0.4 4.4500 1.8506 -1.5877 4.1831 187 L Leucine Aliphatic C (loop/coil) S (bend) 108 -113.9 99.9 44.12 Low-density lipoprotein receptor Binding to Getah virus E1-E2 spike glycoproteins Extracellular 131 3.8 L187-S194 (PAE: 13.0) -0.0300 0.3196 -2.7724 2.4190 188 Y Tyrosine Aromatic C (loop/coil) S (bend) 132 77.7 100.9 35.97 Low-density lipoprotein receptor Binding to Getah virus E1-E2 spike glycoproteins Extracellular 181 -1.3 Y188-S194 (PAE: 12.0) Y188-S194 (PDBs: 2LGP), Y188-G192 (PDBs: 2LGP), Y188-C184 (PDBs: 2LGP) Y188-S194 (PAE: 12.0) 1.7200 1.3991 -2.0972 2.4190 189 V Valine Aliphatic Turn C (loop/coil) C (loop/coil) 113 -154.1 106.6 33.62 Low-density lipoprotein receptor Binding to Getah virus E1-E2 spike glycoproteins Extracellular 117 4.2 -0.0100 0.3196 -2.7511 2.4190 190 F Phenylalanine Aromatic Turn C (loop/coil) S (bend) 198 -145.4 93.0 32.22 Low-density lipoprotein receptor Binding to Getah virus E1-E2 spike glycoproteins Extracellular 165 2.8 -0.1100 1.3991 -3.9262 2.4190 191 Q Glutamine Polar/Neutral Turn C (loop/coil) S (bend) 194 45.2 84.5 33.12 Low-density lipoprotein receptor Binding to Getah virus E1-E2 spike glycoproteins Extracellular 146 -3.5 -3.7200 -1.4758 -4.6631 2.4190 192 G Glycine Special, lack of a chiral carbon, smallest amino acid, very flexible C (loop/coil) S (bend) 69 139.5 -44.4 33.44 Low-density lipoprotein receptor Binding to Getah virus E1-E2 spike glycoproteins Extracellular 75 -0.4 G192-Y188 (PDBs: 2LGP) 2.1700 1.8506 -2.0972 2.4190 193 D Aspartic Acid Negatively-charged C (loop/coil) C (loop/coil) 165 -150.8 106.4 38.84 Low-density lipoprotein receptor Binding to Getah virus E1-E2 spike glycoproteins Extracellular 132 -3.5 -1.3800 0.8622 -4.6631 2.4190 194 S Serine Polar/Neutral C (loop/coil) C (loop/coil) 15 -133.7 138.8 43.53 Low-density lipoprotein receptor Binding to Getah virus E1-E2 spike glycoproteins Extracellular 105 -0.8 S194-Y188 (PAE: 12.0) S194-Y188 (PDBs: 2LGP) S194-L187 (PAE: 13.0), S194-Y188 (PAE: 12.0) -0.3400 -1.0776 -1.6802 2.4190 195 S Serine Polar/Neutral C (loop/coil) C (loop/coil) 45 -146.2 127.5 51.91 Low-density lipoprotein receptor LDL-receptor class A 5 Binding to Getah virus E1-E2 spike glycoproteins Extracellular 105 -0.8 1.5400 -1.0776 -1.5664 4.1831 196 P Proline Special, No backbone hydrogen C (loop/coil) S (bend) 67 -56.6 -18.1 60.19 Low-density lipoprotein receptor LDL-receptor class A 5 Binding to Getah virus E1-E2 spike glycoproteins Extracellular 115 -1.6 Pocket 1: Mean pLDDT: 79.96, Volume: 1865.68 ų, Druggability score: 0.58 0.5753 P196-H203 (PDBs: 2LGP) P196-H203 (PAE: 6.5) 4.9700 0.5462 0.2414 4.1831 197 C Cysteine Special, a very reactive sulfhydryl group C (loop/coil) S (bend) 8 -84.1 151.6 67.75 Low-density lipoprotein receptor Disulfide bond 197-209 LDL-receptor class A 5 Binding to Getah virus E1-E2 spike glycoproteins Extracellular 121 2.5 C197-H203 (PDBs: 1AJJ, 2LGP) C197-E201 (PAE: 6.5), C197-C209 (PAE: 5.5), C197-H203 (PAE: 6.0), C197-F202 (PAE: 4.5) C197-C209 (PDBs: 1AJJ, 2LGP) C197-C209 (PAE: 5.5) 14.9400 2.6074 8.1493 4.1831 198 S Serine Polar/Neutral C (loop/coil) C (loop/coil) 69 -54.0 159.5 70.75 Low-density lipoprotein receptor LDL-receptor class A 5 Binding to Getah virus E1-E2 spike glycoproteins Extracellular 105 -0.8 3.2700 -1.0776 0.1676 4.1831 199 A Alanine Aliphatic C (loop/coil) T (turn) 94 -58.2 -12.9 64.75 Low-density lipoprotein receptor LDL-receptor class A 5 Binding to Getah virus E1-E2 spike glycoproteins Extracellular 89 1.8 1.9700 0.7136 -2.9275 4.1831 200 F Phenylalanine Aromatic C (loop/coil) T (turn) 144 -105.8 13.7 68.44 Low-density lipoprotein receptor LDL-receptor class A 5 Binding to Getah virus E1-E2 spike glycoproteins Extracellular 165 2.8 F200-S212 (PAE: 3.5) F200-H211 (PDBs: 2LGP) F200-H211 (PAE: 2.5), F200-S212 (PAE: 3.5) 7.0700 1.3991 1.4860 4.1831 201 E Glutamic Acid Negatively-charged Beta strand B (undefined) E (parallel sheets) 77 -125.7 144.1 79.75 Low-density lipoprotein receptor LDL-receptor class A 5 Binding to Getah virus E1-E2 spike glycoproteins Extracellular 146 -3.5 Pocket 1: Mean pLDDT: 79.96, Volume: 1865.68 ų, Druggability score: 0.58 0.5753 Pocket 3: Pocket prob: 0.2%, Mean pLDDT: 83.57 0.2 E201-S212 (PDBs: 2LGP) E201-C197 (PAE: 6.5), E201-I210 (PAE: 2.5), E201-S212 (PAE: 3.0) 7.8500 -0.4423 4.1061 4.1831 202 F Phenylalanine Aromatic Beta strand B (undefined) E (parallel sheets) 45 -97.8 136.4 80.69 Low-density lipoprotein receptor LDL-receptor class A 5 Binding to Getah virus E1-E2 spike glycoproteins Extracellular 165 2.8 F202-I210 (PDBs: 1AJJ, 2LGP) F202-I210 (PAE: 2.0) F202-I210 (PDBs: 1AJJ, 2LGP), F202-D227 (PDBs: 1AJJ), F202-R215 (PDBs: 1AJJ, 2LGP), F202-S212 (PDBs: 2LGP) F202-S212 (PAE: 3.0), F202-C209 (PAE: 2.0), F202-R215 (PAE: 3.5), F202-I210 (PAE: 2.0), F202-D227 (PAE: 3.5), F202-C197 (PAE: 4.5) 11.5400 1.3991 5.9537 4.1831 203 H Histidine Positively-charged Beta strand B (undefined) E (parallel sheets) 54 -91.8 113.8 81.12 Low-density lipoprotein receptor LDL-receptor class A 5 Binding to Getah virus E1-E2 spike glycoproteins Extracellular 155 -3.2 Pocket 1: Mean pLDDT: 79.96, Volume: 1865.68 ų, Druggability score: 0.58 0.5753 H203-G207 (PDBs: 1AJJ) H203-C197 (PDBs: 1AJJ, 2LGP), H203-P196 (PDBs: 2LGP) H203-P196 (PAE: 6.5), H203-C197 (PAE: 6.0), H203-E208 (PAE: 2.5), H203-G207 (PAE: 3.0) 8.1800 -1.0025 5.0003 4.1831 204 C Cysteine Special, a very reactive sulfhydryl group Beta strand C (loop/coil) C (loop/coil) 1 -62.2 151.7 83.69 Low-density lipoprotein receptor Disulfide bond 204-222 LDL-receptor class A 5 Binding to Getah virus E1-E2 spike glycoproteins Extracellular 121 2.5 C204-E208 (PDBs: 1AJJ, 2LGP) C204-E208 (PAE: 4.0) C204-S226 (PDBs: 1AJJ), C204-E208 (PDBs: 2LGP) C204-C222 (PAE: 3.5), C204-E208 (PAE: 4.0), C204-I210 (PAE: 2.5) C204-C222 (PDBs: 1AJJ, 2LGP) C204-C222 (PAE: 3.5) 16.3200 2.6074 9.5341 4.1831 205 L Leucine Aliphatic Turn C (loop/coil) T (turn) 144 -66.3 -20.4 80.62 Low-density lipoprotein receptor LDL-receptor class A 5 Binding to Getah virus E1-E2 spike glycoproteins Extracellular 131 3.8 L205-S226 (PDBs: 1AJJ) L205-S226 (PDBs: 1AJJ, 2LGP) L205-D224 (PAE: 4.5), L205-S226 (PAE: 4.0) 7.7200 0.3196 3.2201 4.1831 206 S Serine Polar/Neutral Turn C (loop/coil) T (turn) 36 -72.5 -5.4 78.75 Low-density lipoprotein receptor LDL-receptor class A 5 Binding to Getah virus E1-E2 spike glycoproteins Extracellular 105 -0.8 Pocket 1: Mean pLDDT: 79.96, Volume: 1865.68 ų, Druggability score: 0.58 0.5753 S206-K223 (PDBs: 1AJJ, 2LGP), S206-D224 (PDBs: 1AJJ, 2LGP) S206-K223 (PAE: 5.0), S206-D224 (PAE: 4.0) 7.5000 -1.0776 4.3952 4.1831 207 G Glycine Special, lack of a chiral carbon, smallest amino acid, very flexible Turn C (loop/coil) S (bend) 42 95.5 -13.2 76.94 Low-density lipoprotein receptor LDL-receptor class A 5 Binding to Getah virus E1-E2 spike glycoproteins Extracellular 75 -0.4 Pocket 1: Mean pLDDT: 79.96, Volume: 1865.68 ų, Druggability score: 0.58 0.5753 G207-H203 (PDBs: 1AJJ) G207-H203 (PAE: 3.0) 9.2000 1.8506 3.1691 4.1831 208 E Glutamic Acid Negatively-charged Beta strand C (loop/coil) C (loop/coil) 76 -72.4 145.5 79.0 Low-density lipoprotein receptor LDL-receptor class A 5 Mutation: E -> R. Partial loss of binding to Getah virus E2-E1 spike glycoproteins. Binding to Getah virus E1-E2 spike glycoproteins Extracellular 146 -3.5 Pocket 1: Mean pLDDT: 79.96, Volume: 1865.68 ų, Druggability score: 0.58 0.5753 Pocket 4: Pocket prob: 0.15%, Mean pLDDT: 84.37 0.15 E208-K223 (PDBs: 1AJJ), E208-C204 (PDBs: 1AJJ, 2LGP) E208-K223 (PAE: 3.5), E208-C204 (PAE: 4.0) E208-C204 (PDBs: 2LGP) E208-H203 (PAE: 2.5), E208-K223 (PAE: 3.5), E208-C204 (PAE: 4.0) E208-K223 (PAE: 3.5) 8.2600 -0.4423 4.5144 4.1831 209 C Cysteine Special, a very reactive sulfhydryl group Beta strand B (undefined) E (parallel sheets) 56 -103.1 108.3 81.56 Low-density lipoprotein receptor Disulfide bond 197-209 LDL-receptor class A 5 Binding to Getah virus E1-E2 spike glycoproteins Extracellular 121 2.5 Pocket 1: Mean pLDDT: 79.96, Volume: 1865.68 ų, Druggability score: 0.58 0.5753 Pocket 3: Pocket prob: 0.2%, Mean pLDDT: 83.57 0.2 C209-C197 (PAE: 5.5), C209-F202 (PAE: 2.0) C209-C197 (PDBs: 1AJJ, 2LGP) C209-C197 (PAE: 5.5) 12.1600 2.6074 5.3688 4.1831 210 I Isoleucine Aliphatic Beta strand B (undefined) E (parallel sheets) 11 -98.6 160.7 77.56 Low-density lipoprotein receptor LDL-receptor class A 5 Binding to Getah virus E1-E2 spike glycoproteins Extracellular 131 4.5 Pocket 1: Mean pLDDT: 79.96, Volume: 1865.68 ų, Druggability score: 0.58 0.5753 Pocket 3: Pocket prob: 0.2%, Mean pLDDT: 83.57 0.2 I210-F202 (PDBs: 1AJJ, 2LGP) I210-F202 (PAE: 2.0) I210-F202 (PDBs: 1AJJ, 2LGP) I210-C204 (PAE: 2.5), I210-D221 (PAE: 3.0), I210-F202 (PAE: 2.0), I210-E201 (PAE: 2.5) 10.4600 0.3196 5.9537 4.1831 211 H Histidine Positively-charged Beta strand B (undefined) E (parallel sheets) 79 -62.9 142.1 74.56 Low-density lipoprotein receptor LDL-receptor class A 5 Binding to Getah virus E1-E2 spike glycoproteins Extracellular 155 -3.2 Pocket 1: Mean pLDDT: 79.96, Volume: 1865.68 ų, Druggability score: 0.58 0.5753 Pocket 3: Pocket prob: 0.2%, Mean pLDDT: 83.57 0.2 H211-F200 (PDBs: 2LGP), H211-R215 (PDBs: 2LGP) H211-F200 (PAE: 2.5), H211-R215 (PAE: 2.0) 7.2900 -1.0025 4.1061 4.1831 212 S Serine Polar/Neutral Helix H (helix) G (3₁₀-helix) 56 -60.0 -23.1 76.0 Low-density lipoprotein receptor LDL-receptor class A 5 Binding to Getah virus E1-E2 spike glycoproteins Extracellular 105 -0.8 S212-F200 (PAE: 3.5) S212-E201 (PDBs: 2LGP), S212-F202 (PDBs: 2LGP) S212-F200 (PAE: 3.5), S212-E201 (PAE: 3.0), S212-F202 (PAE: 3.0) 8.3500 -1.0776 5.2439 4.1831 213 S Serine Polar/Neutral Helix H (helix) G (3₁₀-helix) 70 -75.7 -10.8 76.5 Low-density lipoprotein receptor LDL-receptor class A 5 Binding to Getah virus E1-E2 spike glycoproteins Extracellular 105 -0.8 Pocket 3: Pocket prob: 0.2%, Mean pLDDT: 83.57 0.2 S213-D217 (PAE: 3.0) 4.6700 -1.0776 1.5672 4.1831 214 W Tryptophan Aromatic Helix H (helix) G (3₁₀-helix) 43 -96.1 -8.4 75.94 Low-density lipoprotein receptor LDL-receptor class A 5 Mutation: W -> I. Partial loss of binding to Getah virus E2-E1 spike glycoproteins. Binding to Getah virus E1-E2 spike glycoproteins Extracellular 204 -0.9 Pocket 1: Mean pLDDT: 79.96, Volume: 1865.68 ų, Druggability score: 0.58 0.5753 Pocket 3: Pocket prob: 0.2%, Mean pLDDT: 83.57 0.2 W214-D221 (PAE: 3.0) 8.7900 1.3991 3.2116 4.1831 215 R Arginine Positively-charged C (loop/coil) T (turn) 115 -72.3 121.6 78.38 Low-density lipoprotein receptor LDL-receptor class A 5 Binding to Getah virus E1-E2 spike glycoproteins Extracellular 175 -4.5 R215-E229 (PDBs: 1AJJ), R215-N230 (PDBs: 2LGP) R215-F202 (PDBs: 1AJJ, 2LGP), R215-H211 (PDBs: 2LGP) R215-H211 (PAE: 2.0), R215-F202 (PAE: 3.5), R215-D227 (PAE: 3.5) 7.5800 -1.0025 4.3952 4.1831 216 C Cysteine Special, a very reactive sulfhydryl group C (loop/coil) T (turn) 52 64.5 35.8 75.81 Low-density lipoprotein receptor Disulfide bond 216-231 LDL-receptor class A 5 Binding to Getah virus E1-E2 spike glycoproteins Extracellular 121 2.5 C216-D227 (PDBs: 1AJJ) C216-E228 (PAE: 2.5), C216-D227 (PAE: 2.5) C216-E228 (PAE: 2.5), C216-C231 (PAE: 7.0), C216-D227 (PAE: 2.5) C216-C231 (PDBs: 1AJJ, 2LGP) C216-C231 (PAE: 7.0) 14.3600 2.6074 7.5649 4.1831 217 D Aspartic Acid Negatively-charged Beta strand C (loop/coil) S (bend) 60 -90.3 -0.7 74.94 Low-density lipoprotein receptor LDL-receptor class A 5 Mutation: D -> K. Partial loss of binding to Getah virus E2-E1 spike glycoproteins. Binding to Getah virus E1-E2 spike glycoproteins Extracellular 132 -3.5 D217-E228 (PDBs: 1AJJ, 2LGP) D217-K581 (PAE: 26.0), D217-E228 (PAE: 3.5) D217-S213 (PAE: 3.0), D217-E228 (PAE: 3.5) D217-K581 (PAE: 26.0) 9.1700 0.8622 4.1226 4.1831 218 G Glycine Special, lack of a chiral carbon, smallest amino acid, very flexible Beta strand C (loop/coil) S (bend) 58 91.2 -10.2 69.94 Low-density lipoprotein receptor LDL-receptor class A 5 Binding to Getah virus E1-E2 spike glycoproteins Extracellular 75 -0.4 G218-E228 (PDBs: 1AJJ, 2LGP) G218-E228 (PAE: 3.5) G218-E228 (PAE: 3.5) 9.2000 1.8506 3.1691 4.1831 219 G Glycine Special, lack of a chiral carbon, smallest amino acid, very flexible Beta strand C (loop/coil) S (bend) 12 -104.8 134.8 70.12 Low-density lipoprotein receptor LDL-receptor class A 5 Binding to Getah virus E1-E2 spike glycoproteins Extracellular 75 -0.4 Pocket 4: Pocket prob: 0.15%, Mean pLDDT: 84.37 0.15 G219-E228 (PAE: 3.5) 8.3100 1.8506 2.2750 4.1831 220 P Proline Special, No backbone hydrogen C (loop/coil) C (loop/coil) 58 -77.9 89.0 80.0 Low-density lipoprotein receptor LDL-receptor class A 5 Binding to Getah virus E1-E2 spike glycoproteins Extracellular 115 -1.6 Pocket 1: Mean pLDDT: 79.96, Volume: 1865.68 ų, Druggability score: 0.58 0.5753 Pocket 4: Pocket prob: 0.15%, Mean pLDDT: 84.37 0.15 P220-D227 (PAE: 3.0), P220-K225 (PAE: 3.0) 4.9000 0.5462 0.1676 4.1831 221 D Aspartic Acid Negatively-charged C (loop/coil) C (loop/coil) 43 -85.2 -27.7 80.62 Low-density lipoprotein receptor LDL-receptor class A 5 Binding to Getah virus E1-E2 spike glycoproteins Extracellular 132 -3.5 Pocket 1: Mean pLDDT: 79.96, Volume: 1865.68 ų, Druggability score: 0.58 0.5753 Pocket 4: Pocket prob: 0.15%, Mean pLDDT: 84.37 0.15 D221-D227 (PDBs: 1AJJ) D221-D227 (PAE: 3.5) D221-D227 (PAE: 3.5), D221-W214 (PAE: 3.0), D221-I210 (PAE: 3.0) D221-K581 (PAE: 24.0) 8.0100 0.8622 2.9687 4.1831 222 C Cysteine Special, a very reactive sulfhydryl group Beta strand C (loop/coil) S (bend) 4 -73.8 137.4 82.5 Low-density lipoprotein receptor Disulfide bond 204-222 LDL-receptor class A 5 Binding to Getah virus E1-E2 spike glycoproteins Extracellular 121 2.5 C222-D227 (PDBs: 1AJJ) C222-D227 (PDBs: 1AJJ), C222-S226 (PDBs: 1AJJ) C222-C204 (PAE: 3.5), C222-D227 (PAE: 3.0), C222-S226 (PAE: 3.0) C222-C204 (PDBs: 1AJJ, 2LGP) C222-C204 (PAE: 3.5) 17.4800 2.6074 10.6880 4.1831 223 K Lysine Positively-charged Beta strand C (loop/coil) T (turn) 171 -52.5 -31.9 78.56 Low-density lipoprotein receptor LDL-receptor class A 5 Binding to Getah virus E1-E2 spike glycoproteins Extracellular 147 -3.9 Pocket 1: Mean pLDDT: 79.96, Volume: 1865.68 ų, Druggability score: 0.58 0.5753 Pocket 4: Pocket prob: 0.15%, Mean pLDDT: 84.37 0.15 K223-E208 (PDBs: 1AJJ) K223-E208 (PAE: 3.5) K223-S206 (PDBs: 1AJJ, 2LGP) K223-S206 (PAE: 5.0), K223-E208 (PAE: 3.5) K223-D170 (PDBs: 2LGP) K223-E208 (PAE: 3.5) 8.3800 0.3020 3.8902 4.1831 224 D Aspartic Acid Negatively-charged Beta strand C (loop/coil) T (turn) 63 -102.4 8.3 81.88 Low-density lipoprotein receptor LDL-receptor class A 5 Mutation: D -> K. Partial loss of binding to Getah virus E2-E1 spike glycoproteins. Binding to Getah virus E1-E2 spike glycoproteins Extracellular 132 -3.5 D224-S206 (PDBs: 1AJJ, 2LGP) D224-S206 (PAE: 4.0), D224-L205 (PAE: 4.5) 9.4400 0.8622 4.3952 4.1831 225 K Lysine Positively-charged C (loop/coil) C (loop/coil) 123 62.4 22.0 77.44 Low-density lipoprotein receptor LDL-receptor class A 5 Binding to Getah virus E1-E2 spike glycoproteins Extracellular 147 -3.9 K225-E229 (PDBs: 2LGP) K225-E229 (PDBs: 1AJJ, 2LGP) K225-E229 (PAE: 3.5), K225-P220 (PAE: 3.0) 7.1500 0.3020 2.6692 4.1831 226 S Serine Polar/Neutral Helix C (loop/coil) T (turn) 7 -60.7 -29.6 84.38 Low-density lipoprotein receptor LDL-receptor class A 5 Binding to Getah virus E1-E2 spike glycoproteins Extracellular 105 -0.8 S226-L205 (PDBs: 1AJJ), S226-N230 (PDBs: 2LGP) S226-C204 (PDBs: 1AJJ), S226-C222 (PDBs: 1AJJ), S226-L205 (PDBs: 1AJJ, 2LGP), S226-N230 (PDBs: 2LGP) S226-C222 (PAE: 3.0), S226-L205 (PAE: 4.0) 9.3000 -1.0776 6.1973 4.1831 227 D Aspartic Acid Negatively-charged Helix C (loop/coil) T (turn) 0 -64.3 -32.8 81.94 Low-density lipoprotein receptor LDL-receptor class A 5 Binding to Getah virus E1-E2 spike glycoproteins Extracellular 132 -3.5 D227-C222 (PDBs: 1AJJ), D227-D221 (PDBs: 1AJJ), D227-C216 (PDBs: 1AJJ) D227-D221 (PAE: 3.5), D227-C216 (PAE: 2.5) D227-F202 (PDBs: 1AJJ), D227-C222 (PDBs: 1AJJ), D227-C231 (PDBs: 2LGP) D227-C222 (PAE: 3.0), D227-P220 (PAE: 3.0), D227-C231 (PAE: 4.0), D227-C216 (PAE: 2.5), D227-F202 (PAE: 3.5), D227-R215 (PAE: 3.5), D227-D221 (PAE: 3.5) 11.9300 0.8622 6.8883 4.1831 228 E Glutamic Acid Negatively-charged Helix C (loop/coil) T (turn) 50 -97.1 -7.0 82.31 Low-density lipoprotein receptor LDL-receptor class A 5 Binding to Getah virus E1-E2 spike glycoproteins Extracellular 146 -3.5 E228-G218 (PDBs: 1AJJ, 2LGP), E228-D217 (PDBs: 1AJJ, 2LGP), E228-A232 (PDBs: 2LGP) E228-G218 (PAE: 3.5), E228-C216 (PAE: 2.5), E228-D217 (PAE: 3.5) E228-A232 (PDBs: 2LGP) E228-G219 (PAE: 3.5), E228-G218 (PAE: 3.5), E228-C216 (PAE: 2.5), E228-D217 (PAE: 3.5) 9.9400 -0.4423 6.1973 4.1831 229 E Glutamic Acid Negatively-charged C (loop/coil) T (turn) 126 -82.9 138.1 74.19 Low-density lipoprotein receptor LDL-receptor class A 5 Binding to Getah virus E1-E2 spike glycoproteins Extracellular 146 -3.5 E229-R215 (PDBs: 1AJJ), E229-K225 (PDBs: 2LGP) E229-K225 (PDBs: 1AJJ, 2LGP) E229-K225 (PAE: 3.5) 6.9600 -0.4423 3.2201 4.1831 230 N Asparagine Polar/Neutral C (loop/coil) T (turn) 164 58.0 22.0 69.31 Low-density lipoprotein receptor LDL-receptor class A 5 Binding to Getah virus E1-E2 spike glycoproteins Extracellular 132 -3.5 N230-S226 (PDBs: 2LGP), N230-R215 (PDBs: 2LGP) N230-S226 (PDBs: 2LGP) 6.3300 -1.0776 3.2201 4.1831 231 C Cysteine Special, a very reactive sulfhydryl group C (loop/coil) C (loop/coil) 29 -62.7 116.6 67.56 Low-density lipoprotein receptor Disulfide bond 216-231 LDL-receptor class A 5 Binding to Getah virus E1-E2 spike glycoproteins Extracellular 121 2.5 C231-D227 (PDBs: 2LGP) C231-C216 (PAE: 7.0), C231-D227 (PAE: 4.0) C231-C216 (PDBs: 1AJJ, 2LGP) C231-C216 (PAE: 7.0) 12.8300 2.6074 6.0420 4.1831 232 A Alanine Aliphatic C (loop/coil) C (loop/coil) 92 -58.5 104.8 59.44 Low-density lipoprotein receptor LDL-receptor class A 5 Binding to Getah virus E1-E2 spike glycoproteins Extracellular 89 1.8 A232-E228 (PDBs: 2LGP) A232-E228 (PDBs: 2LGP) 6.2500 0.7136 1.3522 4.1831 233 V Valine Aliphatic C (loop/coil) C (loop/coil) 121 -51.6 103.4 54.09 Low-density lipoprotein receptor LDL-receptor class A 5 Binding to Getah virus E1-E2 spike glycoproteins Extracellular 117 4.2 1.7600 0.3196 -2.7416 4.1831 234 A Alanine Aliphatic C (loop/coil) C (loop/coil) 59 -63.5 102.9 49.66 Low-density lipoprotein receptor LDL-receptor class A 6 Extracellular 89 1.8 A234-C248 (PAE: 7.5) 2.7700 0.7136 -1.5664 3.6180 235 T Threonine Polar/Neutral C (loop/coil) C (loop/coil) 129 -62.1 103.3 52.53 Low-density lipoprotein receptor LDL-receptor class A 6 Extracellular 119 -0.7 -0.8100 -1.6869 -2.7416 3.6180 236 C Cysteine Special, a very reactive sulfhydryl group C (loop/coil) C (loop/coil) 21 -46.6 136.0 60.69 Low-density lipoprotein receptor Disulfide bond 236-248 LDL-receptor class A 6 Extracellular 121 2.5 C236-C248 (PAE: 5.5), C236-Q242 (PAE: 5.5), C236-E240 (PAE: 5.5) C236-C248 (PDBs: 1F8Z) C236-C248 (PAE: 5.5) 11.4900 2.6074 5.2614 3.6180 237 R Arginine Positively-charged C (loop/coil) C (loop/coil) 166 -56.3 153.4 59.72 Low-density lipoprotein receptor LDL-receptor class A 6 Extracellular 175 -4.5 R237-E240 (PDBs: 1F8Z), R237-D239 (PDBs: 1F8Z) 2.0000 -1.0025 -0.6130 3.6180 238 P Proline Special, No backbone hydrogen C (loop/coil) T (turn) 141 -56.2 -16.4 64.25 Low-density lipoprotein receptor LDL-receptor class A 6 Extracellular 115 -1.6 1.2400 0.5462 -2.9275 3.6180 239 D Aspartic Acid Negatively-charged C (loop/coil) T (turn) 88 -90.1 4.0 68.44 Low-density lipoprotein receptor LDL-receptor class A 6 Extracellular 132 -3.5 D239-G251 (PDBs: 1F8Z) D239-G251 (PAE: 4.5) D239-H250 (PDBs: 1F8Z), D239-G251 (PDBs: 1F8Z) D239-H250 (PAE: 3.5), D239-G251 (PAE: 4.5) D239-R237 (PDBs: 1F8Z) 8.0900 0.8622 3.6147 3.6180 240 E Glutamic Acid Negatively-charged B (undefined) E (parallel sheets) 63 -119.7 145.9 75.25 Low-density lipoprotein receptor LDL-receptor class A 6 Extracellular 146 -3.5 E240-I249 (PDBs: 1F8Z) E240-G251 (PAE: 3.5), E240-C248 (PAE: 4.0), E240-I249 (PAE: 2.5), E240-C236 (PAE: 5.5) E240-R237 (PDBs: 1F8Z) 7.2800 -0.4423 4.1061 3.6180 241 F Phenylalanine Aromatic Beta strand B (undefined) E (parallel sheets) 47 -98.4 133.2 76.38 Low-density lipoprotein receptor LDL-receptor class A 6 Extracellular 165 2.8 F241-I249 (PDBs: 1F8Z) F241-I249 (PAE: 2.5) F241-Q254 (PDBs: 1F8Z), F241-I249 (PDBs: 1F8Z) F241-Q254 (PAE: 3.5), F241-I249 (PAE: 2.5), F241-D266 (PAE: 3.5), F241-C248 (PAE: 2.0) 10.9700 1.3991 5.9537 3.6180 242 Q Glutamine Polar/Neutral Beta strand B (undefined) E (parallel sheets) 106 -90.5 115.1 79.06 Low-density lipoprotein receptor LDL-receptor class A 6 Extracellular 146 -3.5 Q242-N247 (PAE: 3.0), Q242-C236 (PAE: 5.5), Q242-G246 (PAE: 3.5) 3.4700 -1.4758 1.3236 3.6180 243 C Cysteine Special, a very reactive sulfhydryl group Beta strand C (loop/coil) C (loop/coil) 3 -60.0 159.7 81.19 Low-density lipoprotein receptor Disulfide bond 243-261 LDL-receptor class A 6 Extracellular 121 2.5 C243-N247 (PDBs: 1F8Z) C243-N247 (PAE: 4.0) C243-D266 (PDBs: 1F8Z), C243-S265 (PDBs: 1F8Z) C243-N247 (PAE: 4.0), C243-C261 (PAE: 4.0), C243-D263 (PAE: 3.5), C243-I249 (PAE: 3.0) C243-C261 (PDBs: 1F8Z) C243-C261 (PAE: 4.0) 15.7600 2.6074 9.5341 3.6180 244 S Serine Polar/Neutral Turn C (loop/coil) T (turn) 103 -68.7 -23.7 77.69 Low-density lipoprotein receptor LDL-receptor class A 6 Extracellular 105 -0.8 S244-D263 (PAE: 5.5), S244-S265 (PAE: 5.0) S244-S265 (PDBs: 1F8Z) S244-D263 (PAE: 5.5), S244-S265 (PAE: 5.0) 5.7600 -1.0776 3.2201 3.6180 245 D Aspartic Acid Negatively-charged Turn C (loop/coil) T (turn) 71 -71.5 -12.3 70.69 Low-density lipoprotein receptor LDL-receptor class A 6 Extracellular 132 -3.5 D245-D263 (PAE: 6.0) D245-D263 (PDBs: 1F8Z) D245-K262 (PAE: 6.0), D245-D263 (PAE: 6.0) D245-K262 (PDBs: 1F8Z) 7.7000 0.8622 3.2201 3.6180 246 G Glycine Special, lack of a chiral carbon, smallest amino acid, very flexible Turn C (loop/coil) S (bend) 27 98.8 -4.5 72.56 Low-density lipoprotein receptor LDL-receptor class A 6 Extracellular 75 -0.4 G246-Q242 (PAE: 3.5) 7.7400 1.8506 2.2750 3.6180 247 N Asparagine Polar/Neutral Beta strand C (loop/coil) C (loop/coil) 78 -71.5 146.7 74.19 Low-density lipoprotein receptor LDL-receptor class A 6 Extracellular 132 -3.5 N247-C243 (PDBs: 1F8Z) N247-C243 (PAE: 4.0) N247-C243 (PAE: 4.0), N247-Q242 (PAE: 3.0) 4.5600 -1.0776 2.0153 3.6180 248 C Cysteine Special, a very reactive sulfhydryl group Beta strand B (undefined) E (parallel sheets) 43 -104.0 120.6 76.06 Low-density lipoprotein receptor Disulfide bond 236-248 LDL-receptor class A 6 Extracellular 121 2.5 C248-F241 (PAE: 2.0), C248-E240 (PAE: 4.0), C248-A234 (PAE: 7.5), C248-C236 (PAE: 5.5) C248-C236 (PDBs: 1F8Z) C248-C236 (PAE: 5.5) 14.3800 2.6074 8.1514 3.6180 249 I Isoleucine Aliphatic Beta strand B (undefined) E (parallel sheets) 14 -104.1 152.6 75.75 Low-density lipoprotein receptor LDL-receptor class A 6 Extracellular 131 4.5 I249-F241 (PDBs: 1F8Z) I249-F241 (PAE: 2.5) I249-E240 (PDBs: 1F8Z), I249-Q254 (PDBs: 1F8Z), I249-F241 (PDBs: 1F8Z) I249-R253 (PAE: 3.5), I249-E240 (PAE: 2.5), I249-C261 (PAE: 3.5), I249-F241 (PAE: 2.5), I249-C243 (PAE: 3.0) 9.8900 0.3196 5.9537 3.6180 250 H Histidine Positively-charged B (undefined) E (parallel sheets) 97 -61.1 135.9 76.44 Low-density lipoprotein receptor LDL-receptor class A 6 Extracellular 155 -3.2 H250-Q254 (PDBs: 1F8Z), H250-D239 (PDBs: 1F8Z) H250-D239 (PAE: 3.5) 6.7200 -1.0025 4.1061 3.6180 251 G Glycine Special, lack of a chiral carbon, smallest amino acid, very flexible Helix H (helix) G (3₁₀-helix) 32 -62.5 -11.8 71.12 Low-density lipoprotein receptor LDL-receptor class A 6 Extracellular 75 -0.4 G251-D239 (PDBs: 1F8Z) G251-D239 (PAE: 4.5) G251-D239 (PDBs: 1F8Z) G251-E240 (PAE: 3.5), G251-D239 (PAE: 4.5) 10.7100 1.8506 5.2439 3.6180 252 S Serine Polar/Neutral Helix H (helix) G (3₁₀-helix) 81 -75.2 -15.7 78.94 Low-density lipoprotein receptor LDL-receptor class A 6 Extracellular 105 -0.8 4.1100 -1.0776 1.5672 3.6180 253 R Arginine Positively-charged Helix H (helix) G (3₁₀-helix) 118 -93.9 -0.2 78.88 Low-density lipoprotein receptor LDL-receptor class A 6 Extracellular 175 -4.5 R253-E258 (PDBs: 1F8Z) R253-D266 (PAE: 4.5), R253-I249 (PAE: 3.5), R253-D260 (PAE: 4.0) R253-D260 (PDBs: 1F8Z), R253-E258 (PDBs: 1F8Z), R253-D256 (PDBs: 1F8Z) 6.0300 -1.0025 3.4148 3.6180 254 Q Glutamine Polar/Neutral Beta strand C (loop/coil) T (turn) 87 -79.1 125.0 78.19 Low-density lipoprotein receptor LDL-receptor class A 6 Extracellular 146 -3.5 Q254-I249 (PDBs: 1F8Z), Q254-H250 (PDBs: 1F8Z), Q254-F241 (PDBs: 1F8Z) Q254-D266 (PAE: 4.5), Q254-F241 (PAE: 3.5) 5.2900 -1.4758 3.1506 3.6180 255 C Cysteine Special, a very reactive sulfhydryl group Beta strand C (loop/coil) T (turn) 54 64.4 35.2 80.25 Low-density lipoprotein receptor Disulfide bond 255-270 LDL-receptor class A 6 Extracellular 121 2.5 C255-E267 (PDBs: 1F8Z) C255-D266 (PAE: 3.0) C255-D266 (PAE: 3.0), C255-E267 (PAE: 3.0), C255-C270 (PAE: 7.0) C255-C270 (PDBs: 1F8Z) C255-C270 (PAE: 7.0) 13.4400 2.6074 7.2144 3.6180 256 D Aspartic Acid Negatively-charged Beta strand C (loop/coil) S (bend) 65 -95.5 1.8 81.25 Low-density lipoprotein receptor LDL-receptor class A 6 Extracellular 132 -3.5 D256-E267 (PDBs: 1F8Z) D256-E267 (PAE: 4.0) D256-E267 (PAE: 4.0) D256-R253 (PDBs: 1F8Z) 7.6500 0.8622 3.1691 3.6180 257 R Arginine Positively-charged Beta strand C (loop/coil) S (bend) 222 73.3 11.7 73.44 Low-density lipoprotein receptor LDL-receptor class A 6 Extracellular 175 -4.5 R257-E267 (PDBs: 1F8Z) R257-E267 (PAE: 3.0) 2.1400 -1.0025 -0.4769 3.6180 258 E Glutamic Acid Negatively-charged Beta strand C (loop/coil) S (bend) 134 -106.5 142.6 79.06 Low-density lipoprotein receptor LDL-receptor class A 6 Extracellular 146 -3.5 E258-R253 (PDBs: 1F8Z) E258-E267 (PAE: 2.5) E258-R253 (PDBs: 1F8Z) 5.1700 -0.4423 1.9940 3.6180 259 Y Tyrosine Aromatic C (loop/coil) C (loop/coil) 163 -85.9 88.8 81.38 Low-density lipoprotein receptor LDL-receptor class A 6 Extracellular 181 -1.3 Y259-M264 (PDBs: 1F8Z) Y259-D266 (PAE: 3.0), Y259-M264 (PAE: 3.0), Y259-E267 (PAE: 2.5) 5.8400 1.3991 0.8216 3.6180 260 D Aspartic Acid Negatively-charged Beta strand C (loop/coil) C (loop/coil) 50 -82.8 -29.8 81.31 Low-density lipoprotein receptor LDL-receptor class A 6 Extracellular 132 -3.5 D260-D266 (PAE: 4.0) D260-R253 (PAE: 4.0), D260-D266 (PAE: 4.0) D260-R253 (PDBs: 1F8Z) 6.5000 0.8622 2.0153 3.6180 261 C Cysteine Special, a very reactive sulfhydryl group Beta strand C (loop/coil) S (bend) 4 -80.5 132.7 78.31 Low-density lipoprotein receptor Disulfide bond 243-261 LDL-receptor class A 6 Extracellular 121 2.5 C261-D266 (PDBs: 1F8Z) C261-C243 (PAE: 4.0), C261-D266 (PAE: 3.5), C261-S265 (PAE: 5.0), C261-I249 (PAE: 3.5) C261-C243 (PDBs: 1F8Z) C261-C243 (PAE: 4.0) 16.9100 2.6074 10.6880 3.6180 262 K Lysine Positively-charged Beta strand C (loop/coil) T (turn) 183 -56.8 -28.1 72.94 Low-density lipoprotein receptor LDL-receptor class A 6 Extracellular 147 -3.9 K262-D245 (PAE: 6.0) K262-D245 (PDBs: 1F8Z) 2.7300 0.3020 -1.1934 3.6180 263 D Aspartic Acid Negatively-charged Beta strand C (loop/coil) T (turn) 55 -96.5 7.8 79.06 Low-density lipoprotein receptor LDL-receptor class A 6 Extracellular 132 -3.5 D263-S244 (PAE: 5.5), D263-D245 (PAE: 6.0) D263-D245 (PDBs: 1F8Z) D263-S244 (PAE: 5.5), D263-D245 (PAE: 6.0), D263-C243 (PAE: 3.5) 9.8300 0.8622 5.3487 3.6180 264 M Methionine Aliphatic Beta strand C (loop/coil) S (bend) 103 61.8 14.7 77.31 Low-density lipoprotein receptor LDL-receptor class A 6 Extracellular 149 1.9 M264-V268 (PDBs: 1F8Z), M264-Y259 (PDBs: 1F8Z) M264-Y259 (PAE: 3.0), M264-V268 (PAE: 3.5) 5.9300 0.3196 1.9967 3.6180 265 S Serine Polar/Neutral Helix C (loop/coil) T (turn) 17 -67.8 -26.1 83.75 Low-density lipoprotein receptor LDL-receptor class A 6 Extracellular 105 -0.8 S265-S244 (PAE: 5.0) S265-S244 (PDBs: 1F8Z), S265-C243 (PDBs: 1F8Z) S265-C261 (PAE: 5.0), S265-S244 (PAE: 5.0) 8.7400 -1.0776 6.1973 3.6180 266 D Aspartic Acid Negatively-charged Helix C (loop/coil) T (turn) 0 -63.5 -29.3 81.25 Low-density lipoprotein receptor LDL-receptor class A 6 Extracellular 132 -3.5 D266-C261 (PDBs: 1F8Z) D266-C255 (PAE: 3.0), D266-D260 (PAE: 4.0) D266-C243 (PDBs: 1F8Z) D266-Y259 (PAE: 3.0), D266-F241 (PAE: 3.5), D266-C261 (PAE: 3.5), D266-C255 (PAE: 3.0), D266-D260 (PAE: 4.0), D266-C270 (PAE: 4.0), D266-R253 (PAE: 4.5), D266-Q254 (PAE: 4.5) 11.3700 0.8622 6.8883 3.6180 267 E Glutamic Acid Negatively-charged Helix C (loop/coil) T (turn) 35 -101.5 -3.2 82.56 Low-density lipoprotein receptor LDL-receptor class A 6 Extracellular 146 -3.5 E267-R257 (PDBs: 1F8Z), E267-C255 (PDBs: 1F8Z), E267-D256 (PDBs: 1F8Z) E267-D256 (PAE: 4.0) E267-D256 (PAE: 4.0), E267-R257 (PAE: 3.0), E267-C255 (PAE: 3.0), E267-Y259 (PAE: 2.5), E267-E258 (PAE: 2.5) 7.5400 -0.4423 4.3683 3.6180 268 V Valine Aliphatic Beta strand C (loop/coil) T (turn) 113 -81.2 118.7 79.81 Low-density lipoprotein receptor LDL-receptor class A 6 Extracellular 117 4.2 V268-M264 (PDBs: 1F8Z), V268-N272 (PDBs: 1F8Z) V268-M264 (PAE: 3.5) 5.3100 0.3196 1.3725 3.6180 269 G Glycine Special, lack of a chiral carbon, smallest amino acid, very flexible Beta strand C (loop/coil) T (turn) 57 85.5 10.8 73.81 Low-density lipoprotein receptor LDL-receptor class A 6 Extracellular 75 -0.4 5.0100 1.8506 -0.4566 3.6180 270 C Cysteine Special, a very reactive sulfhydryl group Beta strand C (loop/coil) C (loop/coil) 38 -67.6 -15.9 71.06 Low-density lipoprotein receptor Disulfide bond 255-270 LDL-receptor class A 6 Extracellular 121 2.5 C270-D266 (PAE: 4.0), C270-C255 (PAE: 7.0) C270-C255 (PDBs: 1F8Z) C270-C255 (PAE: 7.0) 11.3900 2.6074 5.1664 3.6180 271 V Valine Aliphatic C (loop/coil) C (loop/coil) 104 -114.7 84.2 67.06 Low-density lipoprotein receptor LDL-receptor class A 6 Extracellular 117 4.2 0.4600 0.3196 -3.4784 3.6180 272 N Asparagine Polar/Neutral C (loop/coil) C (loop/coil) 163 -81.9 40.7 52.12 Low-density lipoprotein receptor LDL-receptor class A 6 N-linked (GlcNAc...) asparagine Extracellular 132 -3.5 N272-V268 (PDBs: 1F8Z) 0.4400 -1.0776 -2.0972 3.6180 273 V Valine Aliphatic C (loop/coil) C (loop/coil) 89 -87.0 115.8 50.62 Low-density lipoprotein receptor Extracellular 117 4.2 -1.7500 0.3196 -3.9262 1.8539 274 T Threonine Polar/Neutral C (loop/coil) C (loop/coil) 134 -58.9 75.7 48.47 Low-density lipoprotein receptor LDL-receptor class A 7 Extracellular 119 -0.7 -2.0000 -1.6869 -3.9262 3.6180 275 L Leucine Aliphatic C (loop/coil) C (loop/coil) 87 -57.0 137.5 55.19 Low-density lipoprotein receptor LDL-receptor class A 7 Extracellular 131 3.8 1.2000 0.3196 -2.7416 3.6180 276 C Cysteine Special, a very reactive sulfhydryl group C (loop/coil) C (loop/coil) 21 -69.3 64.2 60.0 Low-density lipoprotein receptor Disulfide bond 276-289 LDL-receptor class A 7 Extracellular 121 2.5 C276-F282 (PDBs: 3M0C), C276-E288 (PDBs: 3M0C), C276-C289 (PDBs: 3M0C) C276-K283 (PAE: 6.5), C276-K281 (PAE: 6.0), C276-C289 (PAE: 5.5) C276-C289 (PDBs: 1XFE, 3M0C) C276-C289 (PAE: 5.5) 11.4900 2.6074 5.2614 3.6180 277 E Glutamic Acid Negatively-charged C (loop/coil) C (loop/coil) 156 -88.5 108.6 60.56 Low-density lipoprotein receptor LDL-receptor class A 7 Extracellular 146 -3.5 0.4300 -0.4423 -2.7416 3.6180 278 G Glycine Special, lack of a chiral carbon, smallest amino acid, very flexible C (loop/coil) S (bend) 33 176.4 144.5 61.5 Low-density lipoprotein receptor LDL-receptor class A 7 Extracellular 75 -0.4 5.0600 1.8506 -0.4126 3.6180 279 P Proline Special, No backbone hydrogen C (loop/coil) T (turn) 124 -57.8 -15.1 64.38 Low-density lipoprotein receptor LDL-receptor class A 7 Extracellular 115 -1.6 1.2400 0.5462 -2.9275 3.6180 280 N Asparagine Polar/Neutral C (loop/coil) T (turn) 94 -120.9 29.6 71.75 Low-density lipoprotein receptor LDL-receptor class A 7 Extracellular 132 -3.5 N280-L292 (PDBs: 1XFE) N280-L292 (PAE: 4.0) N280-L292 (PDBs: 1XFE), N280-T291 (PDBs: 3M0C) N280-L292 (PAE: 4.0), N280-T291 (PAE: 5.0) 5.7600 -1.0776 3.2201 3.6180 281 K Lysine Positively-charged Beta strand B (undefined) E (parallel sheets) 105 -116.0 136.6 76.12 Low-density lipoprotein receptor LDL-receptor class A 7 Extracellular 147 -3.9 K281-T291 (PDBs: 3M0C), K281-I290 (PDBs: 3M0C) K281-I290 (PAE: 3.5), K281-C276 (PAE: 6.0) 5.9000 0.3020 1.9775 3.6180 282 F Phenylalanine Aromatic Beta strand B (undefined) E (parallel sheets) 49 -118.5 131.8 75.94 Low-density lipoprotein receptor LDL-receptor class A 7 Extracellular 165 2.8 F282-I290 (PDBs: 1XFE) F282-I290 (PAE: 2.0) F282-L292 (PDBs: 1XFE), F282-I290 (PDBs: 1XFE, 3M0C), F282-T291 (PDBs: 3M0C), F282-E288 (PDBs: 3M0C), F282-C289 (PDBs: 3M0C), F282-C276 (PDBs: 3M0C) F282-V295 (PAE: 3.5), F282-I290 (PAE: 2.0), F282-C289 (PAE: 2.0) 10.9700 1.3991 5.9537 3.6180 283 K Lysine Positively-charged Beta strand B (undefined) E (parallel sheets) 126 -88.1 108.0 79.19 Low-density lipoprotein receptor LDL-receptor class A 7 Extracellular 147 -3.9 K283-E288 (PDBs: 3M0C) K283-E288 (PAE: 3.0), K283-C276 (PAE: 6.5) 4.0700 0.3020 0.1484 3.6180 284 C Cysteine Special, a very reactive sulfhydryl group C (loop/coil) C (loop/coil) 0 -56.8 142.2 81.44 Low-density lipoprotein receptor Disulfide bond 284-302 LDL-receptor class A 7 Extracellular 121 2.5 C284-E288 (PDBs: 1XFE, 3M0C) C284-E288 (PAE: 6.0) C284-E288 (PDBs: 1XFE, 3M0C), C284-C302 (PDBs: 3M0C) C284-C302 (PAE: 3.5), C284-I290 (PAE: 3.0), C284-E288 (PAE: 6.0) C284-C302 (PDBs: 1XFE, 3M0C) C284-C302 (PAE: 3.5) 15.7600 2.6074 9.5341 3.6180 285 H Histidine Positively-charged C (loop/coil) T (turn) 170 -63.0 -22.8 80.0 Low-density lipoprotein receptor LDL-receptor class A 7 Extracellular 155 -3.2 H285-S306 (PDBs: 1XFE, 3M0C), H285-D304 (PDBs: 3M0C), H285-C302 (PDBs: 3M0C) H285-D304 (PAE: 4.5), H285-S306 (PAE: 5.0) 3.2500 -1.0025 0.6357 3.6180 286 S Serine Polar/Neutral C (loop/coil) T (turn) 50 -71.2 -3.3 76.19 Low-density lipoprotein receptor LDL-receptor class A 7 Extracellular 105 -0.8 S286-D304 (PAE: 4.5) S286-R303 (PAE: 5.5), S286-D304 (PAE: 4.5) 6.9400 -1.0776 4.3952 3.6180 287 G Glycine Special, lack of a chiral carbon, smallest amino acid, very flexible C (loop/coil) S (bend) 49 95.3 -8.3 75.75 Low-density lipoprotein receptor LDL-receptor class A 7 Extracellular 75 -0.4 G287-C302 (PDBs: 3M0C) 6.7900 1.8506 1.3215 3.6180 288 E Glutamic Acid Negatively-charged C (loop/coil) C (loop/coil) 90 -75.6 149.3 79.69 Low-density lipoprotein receptor LDL-receptor class A 7 Extracellular 146 -3.5 E288-C284 (PDBs: 1XFE, 3M0C) E288-C284 (PAE: 6.0) E288-C284 (PDBs: 1XFE, 3M0C), E288-F282 (PDBs: 3M0C), E288-K283 (PDBs: 3M0C), E288-C276 (PDBs: 3M0C) E288-K283 (PAE: 3.0), E288-C284 (PAE: 6.0) 7.0200 -0.4423 3.8443 3.6180 289 C Cysteine Special, a very reactive sulfhydryl group Beta strand B (undefined) E (parallel sheets) 49 -106.0 111.0 80.38 Low-density lipoprotein receptor Disulfide bond 276-289 LDL-receptor class A 7 Extracellular 121 2.5 C289-C276 (PDBs: 3M0C), C289-F282 (PDBs: 3M0C) C289-C276 (PAE: 5.5), C289-F282 (PAE: 2.0) C289-C276 (PDBs: 1XFE, 3M0C) C289-C276 (PAE: 5.5) 13.4200 2.6074 7.1979 3.6180 290 I Isoleucine Aliphatic Beta strand B (undefined) E (parallel sheets) 18 -103.3 170.9 80.31 Low-density lipoprotein receptor LDL-receptor class A 7 Extracellular 131 4.5 I290-F282 (PDBs: 1XFE) I290-F282 (PAE: 2.0) I290-F282 (PDBs: 1XFE, 3M0C), I290-D301 (PDBs: 3M0C), I290-K281 (PDBs: 3M0C) I290-C284 (PAE: 3.0), I290-F282 (PAE: 2.0), I290-D301 (PAE: 3.0), I290-K281 (PAE: 3.5), I290-C302 (PAE: 3.0), I290-K294 (PAE: 4.0) 9.8900 0.3196 5.9537 3.6180 291 T Threonine Polar/Neutral Beta strand B (undefined) E (parallel sheets) 53 -87.3 149.1 80.62 Low-density lipoprotein receptor LDL-receptor class A 7 Extracellular 119 -0.7 T291-N280 (PDBs: 3M0C), T291-K281 (PDBs: 3M0C), T291-F282 (PDBs: 3M0C) T291-N280 (PAE: 5.0), T291-V295 (PAE: 3.0) 5.0800 -1.6869 3.1526 3.6180 292 L Leucine Aliphatic Beta strand H (helix) G (3₁₀-helix) 63 -56.1 -29.7 75.56 Low-density lipoprotein receptor LDL-receptor class A 7 Extracellular 131 3.8 L292-N280 (PDBs: 1XFE) L292-N280 (PAE: 4.0) L292-N280 (PDBs: 1XFE), L292-F282 (PDBs: 1XFE) L292-N280 (PAE: 4.0) 9.1800 0.3196 5.2439 3.6180 293 D Aspartic Acid Negatively-charged Turn H (helix) G (3₁₀-helix) 133 -64.6 -16.4 79.75 Low-density lipoprotein receptor LDL-receptor class A 7 Extracellular 132 -3.5 4.8700 0.8622 0.3920 3.6180 294 K Lysine Positively-charged Turn H (helix) G (3₁₀-helix) 86 -99.3 4.9 79.44 Low-density lipoprotein receptor LDL-receptor class A 7 Extracellular 147 -3.9 K294-D301 (PAE: 4.0) K294-I290 (PAE: 4.0), K294-D301 (PAE: 4.0) K294-D307 (PDBs: 1XFE), K294-D301 (PDBs: 1XFE, 3M0C) K294-D301 (PAE: 4.0) 8.0000 0.3020 4.0848 3.6180 295 V Valine Aliphatic Turn C (loop/coil) S (bend) 7 -98.4 128.9 80.0 Low-density lipoprotein receptor LDL-receptor class A 7 Extracellular 117 4.2 V295-K333 (PDBs: 3M0C) V295-T291 (PAE: 3.0), V295-D307 (PAE: 4.0), V295-I334 (PAE: 4.0), V295-F282 (PAE: 3.5) 8.1300 0.3196 4.1921 3.6180 296 C Cysteine Special, a very reactive sulfhydryl group Turn C (loop/coil) S (bend) 37 59.7 39.7 79.5 Low-density lipoprotein receptor Disulfide bond 296-313 LDL-receptor class A 7 Extracellular 121 2.5 C296-D307 (PAE: 3.0) C296-E308 (PDBs: 3M0C), C296-K333 (PDBs: 3M0C), C296-I334 (PDBs: 3M0C), C296-C313 (PDBs: 3M0C) C296-D307 (PAE: 3.0), C296-E308 (PAE: 4.0), C296-C313 (PAE: 5.0), C296-G314 (PAE: 5.5) C296-C313 (PDBs: 1XFE, 3M0C) C296-C313 (PAE: 5.0) 15.6200 2.6074 9.3940 3.6180 297 N Asparagine Polar/Neutral C (loop/coil) S (bend) 65 -101.6 11.3 82.06 Low-density lipoprotein receptor LDL-receptor class A 7 Extracellular 132 -3.5 N297-D301 (PDBs: 1XFE), N297-E308 (PDBs: 3M0C) N297-D301 (PAE: 3.0), N297-E308 (PAE: 4.0) N297-E308 (PDBs: 3M0C) N297-E308 (PAE: 4.0) 5.7100 -1.0776 3.1691 3.6180 298 M Methionine Aliphatic C (loop/coil) S (bend) 181 64.0 20.8 74.75 Low-density lipoprotein receptor LDL-receptor class A 7 Extracellular 149 1.9 M298-E308 (PAE: 4.5) M298-E308 (PAE: 4.5) 5.1900 0.3196 1.2571 3.6180 299 A Alanine Aliphatic C (loop/coil) S (bend) 43 -126.0 147.5 82.19 Low-density lipoprotein receptor LDL-receptor class A 7 Extracellular 89 1.8 A299-E308 (PDBs: 3M0C) A299-E308 (PDBs: 3M0C), A299-D307 (PDBs: 3M0C) A299-E308 (PAE: 3.5) 7.5000 0.7136 3.1691 3.6180 300 R Arginine Positively-charged C (loop/coil) C (loop/coil) 145 -85.9 87.3 81.88 Low-density lipoprotein receptor LDL-receptor class A 7 Extracellular 175 -4.5 R300-W305 (PDBs: 1XFE), R300-D307 (PDBs: 3M0C) R300-W305 (PAE: 2.5), R300-D307 (PAE: 3.0) 4.6100 -1.0025 1.9967 3.6180 301 D Aspartic Acid Negatively-charged C (loop/coil) C (loop/coil) 50 -86.9 -29.1 83.44 Low-density lipoprotein receptor LDL-receptor class A 7 Extracellular 132 -3.5 D301-N297 (PDBs: 1XFE), D301-D307 (PDBs: 3M0C) D301-D307 (PAE: 3.5), D301-N297 (PAE: 3.0), D301-K294 (PAE: 4.0) D301-D307 (PDBs: 3M0C), D301-I290 (PDBs: 3M0C) D301-D307 (PAE: 3.5), D301-I290 (PAE: 3.0), D301-K294 (PAE: 4.0) D301-K294 (PDBs: 1XFE, 3M0C) D301-K294 (PAE: 4.0) 7.1700 0.8622 2.6853 3.6180 302 C Cysteine Special, a very reactive sulfhydryl group C (loop/coil) S (bend) 1 -93.3 140.4 81.5 Low-density lipoprotein receptor Disulfide bond 284-302 LDL-receptor class A 7 Extracellular 121 2.5 C302-D307 (PAE: 3.5) C302-C284 (PDBs: 3M0C), C302-G287 (PDBs: 3M0C), C302-H285 (PDBs: 3M0C) C302-C284 (PAE: 3.5), C302-I290 (PAE: 3.0), C302-D307 (PAE: 3.5) C302-C284 (PDBs: 1XFE, 3M0C) C302-C284 (PAE: 3.5) 15.0700 2.6074 8.8403 3.6180 303 R Arginine Positively-charged C (loop/coil) T (turn) 182 -57.8 -32.0 81.0 Low-density lipoprotein receptor LDL-receptor class A 7 Extracellular 175 -4.5 R303-S286 (PAE: 5.5) 3.9900 -1.0025 1.3725 3.6180 304 D Aspartic Acid Negatively-charged C (loop/coil) T (turn) 52 -102.1 8.3 81.19 Low-density lipoprotein receptor LDL-receptor class A 7 Extracellular 132 -3.5 D304-S286 (PAE: 4.5) D304-H285 (PDBs: 3M0C) D304-H285 (PAE: 4.5), D304-S286 (PAE: 4.5) 7.0500 0.8622 2.5662 3.6180 305 W Tryptophan Aromatic C (loop/coil) S (bend) 151 64.1 17.0 77.0 Low-density lipoprotein receptor LDL-receptor class A 7 Extracellular 204 -0.9 W305-R300 (PDBs: 1XFE), W305-P309 (PDBs: 3M0C) W305-P309 (PAE: 4.0), W305-R300 (PAE: 2.5) 6.9900 1.3991 1.9754 3.6180 306 S Serine Polar/Neutral Beta strand C (loop/coil) T (turn) 30 -71.6 -13.9 80.12 Low-density lipoprotein receptor LDL-receptor class A 7 Extracellular 105 -0.8 S306-H285 (PDBs: 1XFE, 3M0C) S306-H285 (PAE: 5.0) 6.0400 -1.0776 3.5011 3.6180 307 D Aspartic Acid Negatively-charged Beta strand C (loop/coil) T (turn) 0 -77.3 -17.6 80.31 Low-density lipoprotein receptor LDL-receptor class A 7 Extracellular 132 -3.5 D307-D301 (PDBs: 3M0C) D307-C302 (PAE: 3.5), D307-D301 (PAE: 3.5), D307-C296 (PAE: 3.0) D307-R300 (PDBs: 3M0C), D307-D301 (PDBs: 3M0C), D307-A299 (PDBs: 3M0C) D307-R300 (PAE: 3.0), D307-D301 (PAE: 3.5), D307-C302 (PAE: 3.5), D307-V295 (PAE: 4.0), D307-C296 (PAE: 3.0) D307-K294 (PDBs: 1XFE) 10.5200 0.8622 6.0397 3.6180 308 E Glutamic Acid Negatively-charged Beta strand C (loop/coil) S (bend) 30 -131.4 56.6 80.75 Low-density lipoprotein receptor LDL-receptor class A 7 Extracellular 146 -3.5 E308-A299 (PDBs: 3M0C), E308-N297 (PDBs: 3M0C) E308-M298 (PAE: 4.5), E308-N297 (PAE: 4.0) E308-C296 (PDBs: 3M0C), E308-A299 (PDBs: 3M0C), E308-N297 (PDBs: 3M0C) E308-C296 (PAE: 4.0), E308-M298 (PAE: 4.5), E308-A299 (PAE: 3.5), E308-N297 (PAE: 4.0) 6.1400 -0.4423 2.9687 3.6180 309 P Proline Special, No backbone hydrogen C (loop/coil) C (loop/coil) 43 -59.9 132.3 75.5 Low-density lipoprotein receptor LDL-receptor class A 7 Extracellular 115 -1.6 P309-C313 (PDBs: 1XFE) P309-C313 (PDBs: 1XFE, 3M0C), P309-W305 (PDBs: 3M0C) P309-C313 (PAE: 5.0), P309-I334 (PAE: 5.5), P309-W305 (PAE: 4.0) 8.9600 0.5462 4.7978 3.6180 310 I Isoleucine Aliphatic Turn C (loop/coil) S (bend) 188 -63.3 -18.1 70.19 Low-density lipoprotein receptor LDL-receptor class A 7 Extracellular 131 4.5 I310-T315 (PDBs: 3M0C) 4.5700 0.3196 0.6357 3.6180 311 K Lysine Positively-charged Turn C (loop/coil) S (bend) 159 -118.2 133.9 68.19 Low-density lipoprotein receptor LDL-receptor class A 7 Extracellular 147 -3.9 K311-T315 (PDBs: 1XFE) 7.1400 0.3020 3.2201 3.6180 312 E Glutamic Acid Negatively-charged Turn C (loop/coil) S (bend) 75 64.6 18.7 70.12 Low-density lipoprotein receptor LDL-receptor class A 7 Extracellular 146 -3.5 E312-G335 (PDBs: 3M0C) E312-G335 (PAE: 6.5) E312-K333 (PDBs: 1XFE), E312-I334 (PDBs: 1XFE, 3M0C), E312-E317 (PDBs: 3M0C), E312-G335 (PDBs: 3M0C) E312-E317 (PAE: 6.0), E312-I334 (PAE: 6.0), E312-G335 (PAE: 6.5) 7.5700 -0.4423 4.3952 3.6180 313 C Cysteine Special, a very reactive sulfhydryl group B (undefined) B (beta bridge) 20 -99.1 119.2 76.56 Low-density lipoprotein receptor Disulfide bond 296-313 LDL-receptor class A 7 Extracellular 121 2.5 C313-P309 (PDBs: 1XFE) C313-P309 (PDBs: 1XFE, 3M0C), C313-K333 (PDBs: 3M0C), C313-C296 (PDBs: 3M0C) C313-K333 (PAE: 4.0), C313-C296 (PAE: 5.0), C313-P309 (PAE: 5.0) C313-C296 (PDBs: 1XFE, 3M0C) C313-C296 (PAE: 5.0) 15.6200 2.6074 9.3940 3.6180 314 G Glycine Special, lack of a chiral carbon, smallest amino acid, very flexible C (loop/coil) S (bend) 59 60.2 18.4 74.25 Low-density lipoprotein receptor EGF-like 1 Extracellular 75 -0.4 G314-K333 (PDBs: 1HZ8, 2W2M, 2W2P, 3M0C), G314-Y336 (PDBs: 1HZ8) G314-K333 (PAE: 4.5) G314-K333 (PDBs: 2W2M, 2W2O, 2W2P, 3BPS, 3M0C) G314-K333 (PAE: 4.5), G314-C296 (PAE: 5.5) 8.6900 1.8506 3.2201 3.6180 315 T Threonine Polar/Neutral C (loop/coil) C (loop/coil) 79 -101.9 133.9 79.31 Low-density lipoprotein receptor EGF-like 1 Extracellular 119 -0.7 T315-Y336 (PDBs: 1I0U) T315-K311 (PDBs: 1XFE), T315-I310 (PDBs: 3M0C) 5.7800 -1.6869 3.8443 3.6180 316 N Asparagine Polar/Neutral C (loop/coil) C (loop/coil) 66 -88.7 93.9 82.88 Low-density lipoprotein receptor EGF-like 1 Extracellular 132 -3.5 N316-D331 (PAE: 2.5) N316-D320 (PDBs: 1XFE), N316-D331 (PDBs: 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX, 3M0C, 4NE9) N316-D331 (PAE: 2.5) E:N316-A:D259 (PDBs: 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX), C:N316-B:D259 (PDBs: 3M0C), D:N316-B:D551 (PDBs: 4NE9) E:N316-A:D259 (PDBs: 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX), D:N316-B:D551 (PDBs: 4NE9) 9.9000 -1.0776 3.8443 3.6180 3.5166 317 E Glutamic Acid Negatively-charged Helix H (helix) G (3₁₀-helix) 15 -68.9 -23.3 84.31 Low-density lipoprotein receptor EGF-like 1 Extracellular 146 -3.5 E317-G323 (PDBs: 1HZ8, 1I0U) E317-G323 (PDBs: 1HJ7, 1HZ8, 1I0U, 2MG9, 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX, 3M0C, 4NE9), E317-Y336 (PDBs: 1XFE, 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX, 3M0C, 4NE9), E317-G335 (PDBs: 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX, 3M0C, 4NE9), E317-D331 (PDBs: 2W2P, 2W2Q, 3BPS), E317-M313 (PDBs: 3BPS), E317-E312 (PDBs: 3M0C) E317-D331 (PAE: 3.0), E317-E312 (PAE: 6.0), E317-G323 (PAE: 4.5), E317-Y336 (PAE: 2.5), E317-G335 (PAE: 4.5) 9.3700 -0.4423 6.1973 3.6180 318 C Cysteine Special, a very reactive sulfhydryl group Helix H (helix) G (3₁₀-helix) 21 -63.3 -19.9 86.56 Low-density lipoprotein receptor Disulfide bond 318-329 EGF-like 1 Extracellular 121 2.5 C318-D331 (PDBs: 1XFE), C318-G324 (PDBs: 1XFE), C318-N322 (PDBs: 2W2O, 2W2P, 3BPS, 3GCX, 3M0C, 4NE9) C318-D331 (PDBs: 1HJ7, 1XFE, 2MG9, 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3M0C, 4NE9), C318-N330 (PDBs: 1HJ7, 1XFE, 2MG9, 2W2O, 3GCX, 3M0C), C318-G324 (PDBs: 1XFE), C318-G323 (PDBs: 2MG9, 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX, 3M0C, 4NE9), C318-N322 (PDBs: 2MG9, 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX, 3M0C, 4NE9), C318-C329 (PDBs: 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX, 3M0C, 4NE9) C318-N322 (PAE: 2.5), C318-N330 (PAE: 2.0), C318-D331 (PAE: 2.5), C318-G323 (PAE: 3.0), C318-C329 (PAE: 2.5) C318-C329 (PDBs: 1HJ7, 1HZ8, 1I0U, 1XFE, 2MG9, 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX, 3M0C, 4NE9) C318-C329 (PAE: 2.5) E:C318-A:I390 (PDBs: 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX), E:C318-A:F400 (PDBs: 2W2O, 2W2P, 2W2Q), D:C318-B:F692 (PDBs: 4NE9), D:C318-B:I682 (PDBs: 4NE9) 16.4700 2.6074 10.2426 3.6180 319 L Leucine Aliphatic Helix H (helix) G (3₁₀-helix) 154 -72.2 -22.0 86.0 Low-density lipoprotein receptor EGF-like 1 Extracellular 131 3.8 E:L319-A:D259 (PDBs: 2W2M, 2W2P, 2W2Q, 3GCX), E:L319-A:P176 (PDBs: 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX), E:L319-A:I175 (PDBs: 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS), E:L319-A:S174 (PDBs: 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX), E:L319-A:I390 (PDBs: 2W2Q, 3GCX), E:L319-A:A260 (PDBs: 3GCX), C:L319-B:I175 (PDBs: 3M0C), C:L319-B:P176 (PDBs: 3M0C), C:L319-B:S174 (PDBs: 3M0C), D:L319-B:S466 (PDBs: 4NE9), D:L319-B:D551 (PDBs: 4NE9), D:L319-B:I682 (PDBs: 4NE9), D:L319-B:A552 (PDBs: 4NE9) 3.5900 0.3196 -0.3448 3.6180 320 D Aspartic Acid Negatively-charged C (loop/coil) T (turn) 131 -98.6 103.6 83.44 Low-density lipoprotein receptor EGF-like 1 Extracellular 132 -3.5 D320-N316 (PDBs: 1XFE), D320-G324 (PDBs: 2W2M, 2W2O, 3M0C) E:D320-A:S174 (PDBs: 2W2O) E:D320-A:S174 (PDBs: 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX), C:D320-B:S174 (PDBs: 3M0C) 9.3700 0.8622 1.3725 3.6180 3.5166 321 N Asparagine Polar/Neutral Helix H (helix) G (3₁₀-helix) 137 47.4 38.8 85.19 Low-density lipoprotein receptor EGF-like 1 Extracellular 132 -3.5 N321-C325 (PDBs: 1XFE, 2W2O, 3M0C) E:N321-A:I390 (PDBs: 2W2P, 2W2Q, 3GCX), D:N321-B:I682 (PDBs: 4NE9) 6.5100 -1.0776 2.2211 3.6180 1.7440 322 N Asparagine Polar/Neutral Helix H (helix) G (3₁₀-helix) 56 58.0 31.9 85.56 Low-density lipoprotein receptor EGF-like 1 Extracellular 132 -3.5 N322-C329 (PDBs: 1I0U), N322-H327 (PDBs: 2MG9, 2W2Q, 3BPS, 3GCX, 4NE9), N322-C318 (PDBs: 2W2O, 2W2P, 3BPS, 3GCX, 3M0C, 4NE9) N322-H327 (PAE: 3.0) N322-V328 (PDBs: 1HZ8, 1I0U), N322-C329 (PDBs: 1HZ8, 1I0U, 2MG9, 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX, 3M0C, 4NE9), N322-S326 (PDBs: 1HZ8, 1I0U, 1XFE), N322-H327 (PDBs: 1HZ8, 1I0U), N322-C318 (PDBs: 2MG9, 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX, 3M0C, 4NE9) N322-C329 (PAE: 2.5), N322-H327 (PAE: 3.0), N322-C318 (PAE: 2.5) E:N322-A:F400 (PDBs: 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX), E:N322-A:I390 (PDBs: 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX), E:N322-A:V401 (PDBs: 2W2O, 2W2Q, 3BPS), C:N322-B:F400 (PDBs: 3M0C), C:N322-B:I390 (PDBs: 3M0C), D:N322-B:F692 (PDBs: 4NE9), D:N322-B:V693 (PDBs: 4NE9), D:N322-B:I682 (PDBs: 4NE9) 9.5300 -1.0776 5.2439 3.6180 1.7440 323 G Glycine Special, lack of a chiral carbon, smallest amino acid, very flexible Helix H (helix) G (3₁₀-helix) 7 66.5 7.3 81.44 Low-density lipoprotein receptor EGF-like 1 Extracellular 75 -0.4 G323-R350 (PDBs: 1HJ7), G323-E317 (PDBs: 1HZ8, 1I0U), G323-C329 (PDBs: 1XFE), G323-Y336 (PDBs: 2MG9, 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX, 3M0C, 4NE9) G323-Y336 (PAE: 2.5) G323-Y336 (PDBs: 1HJ7, 2MG9, 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX, 3M0C, 4NE9), G323-E317 (PDBs: 1HJ7, 1HZ8, 1I0U, 2MG9, 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX, 3M0C, 4NE9), G323-C329 (PDBs: 1XFE, 2W2Q), G323-C318 (PDBs: 2MG9, 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX, 3M0C, 4NE9) G323-Y336 (PAE: 2.5), G323-E317 (PAE: 4.5), G323-C318 (PAE: 3.0) 11.6700 1.8506 6.1973 3.6180 324 G Glycine Special, lack of a chiral carbon, smallest amino acid, very flexible Helix H (helix) G (3₁₀-helix) 27 71.5 15.7 85.94 Low-density lipoprotein receptor EGF-like 1 Extracellular 75 -0.4 G324-C318 (PDBs: 1XFE), G324-R350 (PDBs: 1XFE) G324-R350 (PDBs: 1HJ7, 1XFE, 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX, 3M0C), G324-C318 (PDBs: 1XFE), G324-D320 (PDBs: 2W2M, 2W2O, 3M0C) G324-R350 (PAE: 3.5) 10.7100 1.8506 5.2439 3.6180 325 C Cysteine Special, a very reactive sulfhydryl group C (loop/coil) C (loop/coil) 9 -75.3 139.3 88.19 Low-density lipoprotein receptor Disulfide bond 325-338 EGF-like 1 Extracellular 121 2.5 C325-L339 (PDBs: 1HJ7), C325-N321 (PDBs: 1XFE, 2W2O, 3M0C), C325-C338 (PDBs: 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX, 3M0C, 4NE9), C325-R350 (PDBs: 2W2M, 2W2P, 2W2Q, 3GCX), C325-C329 (PDBs: 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX, 3M0C) C325-C329 (PAE: 3.0), C325-C338 (PAE: 4.0), C325-R350 (PAE: 3.0) C325-C338 (PDBs: 1HJ7, 1HZ8, 1I0U, 1XFE, 2MG9, 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX, 3M0C, 4NE9) C325-C338 (PAE: 4.0) 13.2200 2.6074 6.9955 3.6180 326 S Serine Polar/Neutral Beta strand C (loop/coil) S (bend) 56 -68.9 -39.4 87.38 Low-density lipoprotein receptor EGF-like 1 Extracellular 105 -0.8 S326-R350 (PDBs: 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX, 3M0C), S326-C352 (PDBs: 2W2Q) S326-R350 (PAE: 3.5), S326-C352 (PAE: 3.5) S326-N322 (PDBs: 1HZ8, 1I0U, 1XFE), S326-C352 (PDBs: 1XFE, 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX), S326-R351 (PDBs: 1XFE, 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX, 3M0C), S326-R350 (PDBs: 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX, 3M0C) S326-R350 (PAE: 3.5), S326-C352 (PAE: 3.5), S326-R351 (PAE: 4.5) 7.5400 -1.0776 4.9982 3.6180 327 H Histidine Positively-charged Beta strand C (loop/coil) S (bend) 82 -122.0 -81.3 87.69 Low-density lipoprotein receptor EGF-like 1 Extracellular 155 -3.2 H327-N322 (PDBs: 2MG9, 2W2Q, 3BPS, 3GCX, 4NE9) H327-N322 (PAE: 3.0) H327-N322 (PDBs: 1HZ8, 1I0U), H327-C352 (PDBs: 2W2M, 2W2O, 2W2P, 2W2Q, 3GCX), H327-L339 (PDBs: 2W2M, 2W2P, 2W2Q, 3BPS, 3GCX, 4NE9), H327-P341 (PDBs: 2W2M, 2W2P, 2W2Q, 3BPS, 3GCX), H327-C340 (PDBs: 3BPS) H327-C352 (PAE: 3.5), H327-P341 (PAE: 2.5), H327-N322 (PAE: 3.0) E:H327-A:V401 (PDBs: 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX), C:H327-B:F400 (PDBs: 3M0C), C:H327-B:V401 (PDBs: 3M0C), D:H327-B:V693 (PDBs: 4NE9) 7.6100 -1.0025 4.9982 3.6180 328 V Valine Aliphatic Beta strand B (undefined) E (parallel sheets) 70 -111.0 127.2 90.12 Low-density lipoprotein receptor EGF-like 1 Extracellular 117 4.2 V328-L339 (PDBs: 1HJ7, 1I0U, 1XFE, 2MG9, 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX, 3M0C, 4NE9) V328-L339 (PAE: 2.5) V328-L339 (PDBs: 1HJ7, 1HZ8, 1I0U, 1XFE, 2MG9, 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX, 3M0C, 4NE9), V328-N322 (PDBs: 1HZ8, 1I0U), V328-C340 (PDBs: 1HZ8, 1I0U), V328-C338 (PDBs: 1I0U, 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX, 3M0C, 4NE9) V328-C338 (PAE: 2.0), V328-L339 (PAE: 2.5) E:V328-A:C399 (PDBs: 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX), E:V328-A:F400 (PDBs: 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX), E:V328-A:S393 (PDBs: 2W2M, 3BPS), C:V328-B:F400 (PDBs: 3M0C), C:V328-B:C399 (PDBs: 3M0C), C:V328-B:S393 (PDBs: 3M0C), C:V328-B:Y395 (PDBs: 3M0C), D:V328-B:C691 (PDBs: 4NE9), D:V328-B:S685 (PDBs: 4NE9), D:V328-B:F692 (PDBs: 4NE9), D:V328-B:D687 (PDBs: 4NE9) 8.9400 0.3196 5.0003 3.6180 329 C Cysteine Special, a very reactive sulfhydryl group Beta strand B (undefined) E (parallel sheets) 20 -106.9 126.8 90.62 Low-density lipoprotein receptor Disulfide bond 318-329 EGF-like 1 Extracellular 121 2.5 C329-N322 (PDBs: 1I0U), C329-G323 (PDBs: 1XFE) C329-N322 (PDBs: 1HZ8, 1I0U, 2MG9, 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX, 3M0C, 4NE9), C329-G323 (PDBs: 1XFE, 2W2Q), C329-E337 (PDBs: 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX, 3M0C, 4NE9), C329-C318 (PDBs: 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX, 3M0C, 4NE9), C329-Y336 (PDBs: 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX, 3M0C, 4NE9), C329-C325 (PDBs: 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX, 3M0C) C329-E337 (PAE: 2.0), C329-C318 (PAE: 2.5), C329-N322 (PAE: 2.5), C329-C325 (PAE: 3.0), C329-Y336 (PAE: 2.0) C329-C318 (PDBs: 1HJ7, 1HZ8, 1I0U, 1XFE, 2MG9, 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX, 3M0C, 4NE9) C329-C318 (PAE: 2.5) E:C329-A:F400 (PDBs: 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX), C:C329-B:F400 (PDBs: 3M0C), D:C329-B:F692 (PDBs: 4NE9) E:C329-A:F400 (PDBs: 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX), E:C329-A:C399 (PDBs: 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX), C:C329-B:F400 (PDBs: 3M0C), C:C329-B:C399 (PDBs: 3M0C), D:C329-B:F692 (PDBs: 4NE9), D:C329-B:C691 (PDBs: 4NE9) 19.7400 2.6074 9.9990 3.6180 3.5166 330 N Asparagine Polar/Neutral Beta strand B (undefined) E (parallel sheets) 66 -108.2 118.4 88.31 Low-density lipoprotein receptor EGF-like 1 Extracellular 132 -3.5 N330-E337 (PDBs: 1HJ7, 1HZ8, 1I0U, 1XFE, 2MG9, 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX, 3M0C, 4NE9) N330-E337 (PAE: 2.0) N330-E337 (PDBs: 1HJ7, 1HZ8, 1I0U, 1XFE, 2MG9, 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX, 3M0C, 4NE9), N330-C318 (PDBs: 1HJ7, 1XFE, 2MG9, 2W2O, 3GCX, 3M0C), N330-L339 (PDBs: 2W2M, 2W2O, 2W2Q, 3BPS, 3M0C, 4NE9), N330-Y336 (PDBs: 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX, 3M0C, 4NE9) N330-L339 (PAE: 3.0), N330-Y336 (PAE: 2.0), N330-E337 (PAE: 2.0), N330-C318 (PAE: 2.0) E:N330-A:T398 (PDBs: 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX), C:N330-B:T398 (PDBs: 3M0C), D:N330-B:T690 (PDBs: 4NE9) E:N330-A:T398 (PDBs: 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX), E:N330-A:C399 (PDBs: 2W2M, 2W2O, 2W2P, 3BPS, 3GCX), E:N330-A:C396 (PDBs: 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX), C:N330-B:T398 (PDBs: 3M0C), D:N330-B:T690 (PDBs: 4NE9), D:N330-B:C691 (PDBs: 4NE9), D:N330-B:C688 (PDBs: 4NE9) 11.0600 -1.0776 5.0003 3.6180 3.5166 331 D Aspartic Acid Negatively-charged B (undefined) E (parallel sheets) 58 -80.2 115.7 85.94 Low-density lipoprotein receptor EGF-like 1 Extracellular 132 -3.5 D331-C318 (PDBs: 1XFE) D331-N316 (PAE: 2.5) D331-C318 (PDBs: 1HJ7, 1XFE, 2MG9, 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3M0C, 4NE9), D331-N316 (PDBs: 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX, 3M0C, 4NE9), D331-E317 (PDBs: 2W2P, 2W2Q, 3BPS) D331-N316 (PAE: 2.5), D331-C318 (PAE: 2.5), D331-E317 (PAE: 3.0) E:D331-A:R215 (PDBs: 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX), E:D331-A:T398 (PDBs: 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX), D:D331-B:T690 (PDBs: 4NE9), D:D331-B:R507 (PDBs: 4NE9) E:D331-A:T398 (PDBs: 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX), C:D331-B:T398 (PDBs: 3M0C), D:D331-B:T690 (PDBs: 4NE9) E:D331-A:R215 (PDBs: 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX), D:D331-B:R507 (PDBs: 4NE9) 15.0600 0.8622 5.0003 3.6180 5.5783 332 L Leucine Aliphatic C (loop/coil) C (loop/coil) 70 -93.6 170.0 81.38 Low-density lipoprotein receptor EGF-like 1 Extracellular 131 3.8 L332-E337 (PDBs: 1HJ7, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX, 3M0C, 4NE9), L332-Y336 (PDBs: 1HZ8, 1I0U, 2W2M, 2W2O, 2W2P, 2W2Q, 3M0C, 4NE9) 6.4900 0.3196 2.5476 3.6180 333 K Lysine Positively-charged Beta strand C (loop/coil) S (bend) 135 -65.2 -31.2 77.5 Low-density lipoprotein receptor EGF-like 1 Extracellular 147 -3.9 K333-G314 (PDBs: 1HZ8, 2W2M, 2W2P, 3M0C) K333-G314 (PAE: 4.5) K333-E312 (PDBs: 1XFE), K333-G314 (PDBs: 2W2M, 2W2O, 2W2P, 3BPS, 3M0C), K333-M313 (PDBs: 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX), K333-C313 (PDBs: 3M0C), K333-V295 (PDBs: 3M0C), K333-C296 (PDBs: 3M0C) K333-C313 (PAE: 4.0), K333-G314 (PAE: 4.5) 7.7400 0.3020 3.8231 3.6180 334 I Isoleucine Aliphatic Beta strand B (undefined) B (beta bridge) 45 -126.7 112.9 75.88 Low-density lipoprotein receptor EGF-like 1 Extracellular 131 4.5 I334-E312 (PDBs: 1XFE, 3M0C), I334-Q310 (PDBs: 2W2M, 2W2O, 2W2P, 2W2Q), I334-M313 (PDBs: 2W2M, 3BPS), I334-A312 (PDBs: 2W2M, 2W2O, 2W2P), I334-G311 (PDBs: 2W2M, 2W2O, 2W2P), I334-C296 (PDBs: 3M0C) I334-E312 (PAE: 6.0), I334-P309 (PAE: 5.5), I334-V295 (PAE: 4.0) 7.4400 0.3196 3.5011 3.6180 335 G Glycine Special, lack of a chiral carbon, smallest amino acid, very flexible Beta strand C (loop/coil) S (bend) 15 69.8 -163.2 81.88 Low-density lipoprotein receptor EGF-like 1 Extracellular 75 -0.4 G335-A312 (PDBs: 2W2M, 2W2O, 2W2P), G335-E312 (PDBs: 3M0C) G335-E312 (PAE: 6.5) G335-E317 (PDBs: 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX, 3M0C, 4NE9), G335-A312 (PDBs: 2W2M, 2W2O, 2W2P), G335-Q310 (PDBs: 2W2M, 2W2O, 2W2P), G335-M313 (PDBs: 3BPS), G335-E312 (PDBs: 3M0C) G335-E317 (PAE: 4.5), G335-E312 (PAE: 6.5) 11.4200 1.8506 5.9517 3.6180 336 Y Tyrosine Aromatic B (undefined) E (parallel sheets) 67 -139.8 158.7 85.88 Low-density lipoprotein receptor EGF-like 1 Extracellular 181 -1.3 Y336-R350 (PDBs: 1HJ7), Y336-G314 (PDBs: 1HZ8), Y336-T315 (PDBs: 1I0U), Y336-G323 (PDBs: 2MG9, 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX, 3M0C, 4NE9) Y336-G323 (PAE: 2.5) Y336-G323 (PDBs: 1HJ7, 2MG9, 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX, 3M0C, 4NE9), Y336-L332 (PDBs: 1HZ8, 1I0U, 2W2M, 2W2O, 2W2P, 2W2Q, 3M0C, 4NE9), Y336-E317 (PDBs: 1XFE, 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX, 3M0C, 4NE9), Y336-N330 (PDBs: 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX, 3M0C, 4NE9), Y336-C329 (PDBs: 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX, 3M0C, 4NE9) Y336-E317 (PAE: 2.5), Y336-N330 (PAE: 2.0), Y336-G323 (PAE: 2.5), Y336-C329 (PAE: 2.0) 10.0200 1.3991 5.0003 3.6180 337 E Glutamic Acid Negatively-charged Beta strand B (undefined) E (parallel sheets) 80 -124.7 149.5 87.31 Low-density lipoprotein receptor EGF-like 1 Extracellular 146 -3.5 E337-N330 (PDBs: 1HJ7, 1HZ8, 1I0U, 1XFE, 2MG9, 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX, 3M0C, 4NE9) E337-N330 (PAE: 2.0) E337-L332 (PDBs: 1HJ7, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX, 3M0C, 4NE9), E337-N330 (PDBs: 1HJ7, 1HZ8, 1I0U, 1XFE, 2MG9, 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX, 3M0C, 4NE9), E337-C329 (PDBs: 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX, 3M0C, 4NE9) E337-C329 (PAE: 2.0), E337-N330 (PAE: 2.0) 8.1800 -0.4423 5.0003 3.6180 338 C Cysteine Special, a very reactive sulfhydryl group Beta strand B (undefined) E (parallel sheets) 10 -96.1 125.5 89.19 Low-density lipoprotein receptor Disulfide bond 325-338 EGF-like 1 Extracellular 121 2.5 C338-V328 (PDBs: 1I0U, 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX, 3M0C, 4NE9), C338-C325 (PDBs: 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX, 3M0C, 4NE9), C338-R350 (PDBs: 2W2M, 2W2Q, 3GCX), C338-Q349 (PDBs: 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX, 3M0C), C338-L346 (PDBs: 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX, 3M0C) C338-V328 (PAE: 2.0), C338-Q349 (PAE: 3.0), C338-L346 (PAE: 2.5), C338-C325 (PAE: 4.0) C338-C325 (PDBs: 1HJ7, 1HZ8, 1I0U, 1XFE, 2MG9, 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX, 3M0C, 4NE9) C338-C325 (PAE: 4.0) 14.3800 2.6074 8.1514 3.6180 339 L Leucine Aliphatic Beta strand B (undefined) E (parallel sheets) 73 -107.4 147.0 89.75 Low-density lipoprotein receptor EGF-like 1 Extracellular 131 3.8 L339-V328 (PDBs: 1HJ7, 1I0U, 1XFE, 2MG9, 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX, 3M0C, 4NE9) L339-V328 (PAE: 2.5) L339-V328 (PDBs: 1HJ7, 1HZ8, 1I0U, 1XFE, 2MG9, 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX, 3M0C, 4NE9), L339-C325 (PDBs: 1HJ7), L339-C352 (PDBs: 2W2M, 2W2Q), L339-H327 (PDBs: 2W2M, 2W2P, 2W2Q, 3BPS, 3GCX, 4NE9), L339-N330 (PDBs: 2W2M, 2W2O, 2W2Q, 3BPS, 3M0C, 4NE9) L339-V328 (PAE: 2.5), L339-N330 (PAE: 3.0) C:L339-B:C399 (PDBs: 3M0C) 8.9400 0.3196 5.0003 3.6180 340 C Cysteine Special, a very reactive sulfhydryl group C (loop/coil) C (loop/coil) 32 -104.6 147.2 89.19 Low-density lipoprotein receptor Disulfide bond 340-352 EGF-like 1 Extracellular 121 2.5 C340-Q345 (PDBs: 1HZ8, 2W2M, 3BPS, 3GCX), C340-L346 (PDBs: 1HZ8, 1I0U, 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3M0C), C340-V328 (PDBs: 1HZ8, 1I0U), C340-C352 (PDBs: 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX), C340-F344 (PDBs: 2W2M, 2W2O, 2W2Q, 3BPS, 3GCX, 3M0C), C340-H327 (PDBs: 3BPS) C340-Q345 (PAE: 2.5), C340-L346 (PAE: 2.5), C340-C352 (PAE: 2.5), C340-F344 (PAE: 2.0) C340-C352 (PDBs: 1HJ7, 1HZ8, 1I0U, 1XFE, 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX, 3M0C) C340-C352 (PAE: 2.5) C:C340-B:Y395 (PDBs: 3M0C) 15.5400 2.6074 7.5464 3.6180 1.7725 341 P Proline Special, No backbone hydrogen Beta strand C (loop/coil) C (loop/coil) 49 -60.0 161.1 90.19 Low-density lipoprotein receptor EGF-like 1 Extracellular 115 -1.6 P341-H327 (PDBs: 2W2M, 2W2P, 2W2Q, 3BPS, 3GCX) P341-H327 (PAE: 2.5) C:P341-B:Y395 (PDBs: 3M0C) 4.8800 0.5462 0.7185 3.6180 342 D Aspartic Acid Negatively-charged Beta strand C (loop/coil) T (turn) 160 -54.2 136.1 88.56 Low-density lipoprotein receptor EGF-like 1 Extracellular 132 -3.5 3.2900 0.8622 -1.1934 3.6180 343 G Glycine Special, lack of a chiral carbon, smallest amino acid, very flexible Beta strand C (loop/coil) T (turn) 18 88.7 -2.4 86.38 Low-density lipoprotein receptor EGF-like 1 Extracellular 75 -0.4 G343-I355 (PDBs: 1HJ7) G343-I355 (PAE: 3.0) G343-I355 (PDBs: 1HJ7), G343-D354 (PDBs: 2W2M, 3M0C) G343-D354 (PAE: 2.0), G343-I355 (PAE: 3.0) 10.8200 1.8506 5.3487 3.6180 344 F Phenylalanine Aromatic B (undefined) E (parallel sheets) 35 -121.8 143.0 90.19 Low-density lipoprotein receptor EGF-like 1 Extracellular 165 2.8 F344-I355 (PDBs: 1HJ7), F344-D354 (PDBs: 1HJ7, 1HZ8, 1I0U, 3M0C), F344-E353 (PDBs: 1HZ8, 1I0U, 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX, 3M0C), F344-G373 (PDBs: 1HZ8), F344-C340 (PDBs: 2W2M, 2W2O, 2W2Q, 3BPS, 3GCX, 3M0C), F344-C352 (PDBs: 2W2O, 2W2P, 2W2Q, 3M0C) F344-E353 (PAE: 2.0), F344-C340 (PAE: 2.0), F344-G373 (PAE: 2.5), F344-I355 (PAE: 1.5), F344-D354 (PAE: 1.0) 9.1200 1.3991 4.1061 3.6180 345 Q Glutamine Polar/Neutral Beta strand B (undefined) E (parallel sheets) 129 -104.8 138.8 88.12 Low-density lipoprotein receptor EGF-like 1 Extracellular 146 -3.5 Q345-E353 (PDBs: 1HJ7, 1HZ8, 1I0U, 1XFE, 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX) Q345-E353 (PAE: 2.0) Q345-E353 (PDBs: 1HJ7, 1HZ8, 1I0U, 1XFE, 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX, 3M0C), Q345-C340 (PDBs: 1HZ8, 2W2M, 3BPS, 3GCX), Q345-I355 (PDBs: 1HZ8), Q345-C352 (PDBs: 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX, 3M0C), Q345-R351 (PDBs: 2W2Q) Q345-C340 (PAE: 2.5), Q345-E353 (PAE: 2.0), Q345-I355 (PAE: 2.0), Q345-C352 (PAE: 2.0) 5.9700 -1.4758 3.8251 3.6180 346 L Leucine Aliphatic Beta strand B (undefined) E (parallel sheets) 68 -78.2 110.8 87.94 Low-density lipoprotein receptor EGF-like 1 Extracellular 131 3.8 L346-C340 (PDBs: 1HZ8, 1I0U, 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3M0C), L346-R351 (PDBs: 1XFE, 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX, 3M0C), L346-R350 (PDBs: 1XFE, 2W2M, 2W2O, 2W2P, 2W2Q, 3M0C), L346-C352 (PDBs: 1XFE, 3M0C), L346-C338 (PDBs: 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX, 3M0C) L346-C338 (PAE: 2.5), L346-R350 (PAE: 2.0), L346-R351 (PAE: 2.5), L346-C340 (PAE: 2.5) 7.0900 0.3196 3.1526 3.6180 347 V Valine Aliphatic Beta strand B (undefined) E (parallel sheets) 47 -103.4 133.5 88.0 Low-density lipoprotein receptor EGF-like 1 Extracellular 117 4.2 V347-R351 (PDBs: 1XFE, 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX, 3M0C) V347-R351 (PAE: 3.5) V347-E353 (PDBs: 1HJ7, 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX, 3M0C), V347-R351 (PDBs: 1XFE, 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX, 3M0C) V347-R351 (PAE: 3.5), V347-E353 (PAE: 3.0) 8.9400 0.3196 5.0003 3.6180 348 A Alanine Aliphatic Turn C (loop/coil) T (turn) 59 53.9 34.4 84.25 Low-density lipoprotein receptor EGF-like 1 Extracellular 89 1.8 3.8800 0.7136 -0.4566 3.6180 349 Q Glutamine Polar/Neutral Turn C (loop/coil) T (turn) 151 55.5 12.3 79.94 Low-density lipoprotein receptor EGF-like 1 Extracellular 146 -3.5 Q349-C338 (PDBs: 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX, 3M0C) Q349-C338 (PAE: 3.0) 1.6900 -1.4758 -0.4566 3.6180 350 R Arginine Positively-charged Turn C (loop/coil) T (turn) 117 -143.9 -39.2 84.25 Low-density lipoprotein receptor EGF-like 1 Extracellular 175 -4.5 R350-Y336 (PDBs: 1HJ7), R350-G323 (PDBs: 1HJ7), R350-G324 (PDBs: 1XFE), R350-S326 (PDBs: 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX, 3M0C) R350-S326 (PAE: 3.5) R350-G324 (PDBs: 1HJ7, 1XFE, 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX, 3M0C), R350-L346 (PDBs: 1XFE, 2W2M, 2W2O, 2W2P, 2W2Q, 3M0C), R350-C325 (PDBs: 2W2M, 2W2P, 2W2Q, 3GCX), R350-S326 (PDBs: 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX, 3M0C), R350-C338 (PDBs: 2W2M, 2W2Q, 3GCX) R350-C325 (PAE: 3.0), R350-L346 (PAE: 2.0), R350-G324 (PAE: 3.5), R350-S326 (PAE: 3.5) 7.0100 -1.0025 4.3952 3.6180 351 R Arginine Positively-charged Beta strand B (undefined) E (parallel sheets) 134 -100.9 136.2 87.62 Low-density lipoprotein receptor EGF-like 1 Extracellular 175 -4.5 R351-V347 (PDBs: 1XFE, 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX, 3M0C) R351-V347 (PAE: 3.5) R351-V347 (PDBs: 1XFE, 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX, 3M0C), R351-L346 (PDBs: 1XFE, 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX, 3M0C), R351-S326 (PDBs: 1XFE, 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX, 3M0C), R351-Q345 (PDBs: 2W2Q) R351-V347 (PAE: 3.5), R351-L346 (PAE: 2.5), R351-S326 (PAE: 4.5) R351-E372 (PDBs: 1HZ8), R351-E353 (PDBs: 1HZ8, 1XFE, 2W2M, 2W2O, 2W2P, 2W2Q) R351-E353 (PAE: 2.0) 6.4400 -1.0025 3.8251 3.6180 352 C Cysteine Special, a very reactive sulfhydryl group Beta strand B (undefined) E (parallel sheets) 16 -98.2 124.6 89.0 Low-density lipoprotein receptor Disulfide bond 340-352 EGF-like 1 Extracellular 121 2.5 C352-S326 (PDBs: 2W2Q) C352-S326 (PAE: 3.5) C352-L346 (PDBs: 1XFE, 3M0C), C352-S326 (PDBs: 1XFE, 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX), C352-C340 (PDBs: 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX), C352-Q345 (PDBs: 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX, 3M0C), C352-L339 (PDBs: 2W2M, 2W2Q), C352-H327 (PDBs: 2W2M, 2W2O, 2W2P, 2W2Q, 3GCX), C352-F344 (PDBs: 2W2O, 2W2P, 2W2Q, 3M0C) C352-Q345 (PAE: 2.0), C352-C340 (PAE: 2.5), C352-H327 (PAE: 3.5), C352-S326 (PAE: 3.5) C352-C340 (PDBs: 1HJ7, 1HZ8, 1I0U, 1XFE, 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX, 3M0C) C352-C340 (PAE: 2.5) 16.2200 2.6074 9.9990 3.6180 353 E Glutamic Acid Negatively-charged Beta strand B (undefined) E (parallel sheets) 87 -111.4 143.9 88.81 Low-density lipoprotein receptor EGF-like 1 Extracellular 146 -3.5 E353-Q345 (PDBs: 1HJ7, 1HZ8, 1I0U, 1XFE, 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX) E353-Q345 (PAE: 2.0) E353-Q345 (PDBs: 1HJ7, 1HZ8, 1I0U, 1XFE, 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX, 3M0C), E353-V347 (PDBs: 1HJ7, 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX, 3M0C), E353-E372 (PDBs: 1HZ8), E353-F344 (PDBs: 1HZ8, 1I0U, 2W2M, 2W2O, 2W2P, 2W2Q, 3BPS, 3GCX, 3M0C) E353-Q345 (PAE: 2.0), E353-V347 (PAE: 3.0), E353-F344 (PAE: 2.0) E353-R351 (PDBs: 1HZ8, 1XFE, 2W2M, 2W2O, 2W2P, 2W2Q) E353-R351 (PAE: 2.0) 8.1800 -0.4423 5.0003 3.6180 354 D Aspartic Acid Negatively-charged B (undefined) E (parallel sheets) 50 -61.2 137.9 92.06 Low-density lipoprotein receptor EGF-like 2; calcium-binding Extracellular 132 -3.5 D354-G373 (PAE: 3.5), D354-N370 (PAE: 2.5) D354-F344 (PDBs: 1HJ7, 1HZ8, 1I0U, 3M0C), D354-G343 (PDBs: 2W2M, 3M0C), D354-E372 (PDBs: 3M0C), D354-G373 (PDBs: 3M0C) D354-E372 (PAE: 2.5), D354-F344 (PAE: 1.0), D354-G343 (PAE: 2.0), D354-G373 (PAE: 3.5) 9.4800 0.8622 5.0003 3.6180 355 I Isoleucine Aliphatic C (loop/coil) C (loop/coil) 68 -82.9 112.8 89.25 Low-density lipoprotein receptor EGF-like 2; calcium-binding Extracellular 131 4.5 I355-G343 (PDBs: 1HJ7) I355-G343 (PAE: 3.0) I355-F344 (PDBs: 1HJ7), I355-G343 (PDBs: 1HJ7), I355-Q345 (PDBs: 1HZ8) I355-Q345 (PAE: 2.0), I355-F344 (PAE: 1.5), I355-G343 (PAE: 3.0) 7.7800 0.3196 3.8443 3.6180 356 D Aspartic Acid Negatively-charged C (loop/coil) C (loop/coil) 64 -72.5 87.3 88.88 Low-density lipoprotein receptor EGF-like 2; calcium-binding Extracellular 132 -3.5 D356-N370 (PDBs: 1HJ7, 1HZ8, 1I0U, 3M0C), D356-D360 (PDBs: 1I0U) D356-N370 (PAE: 2.0) 6.4800 0.8622 1.9967 3.6180 357 E Glutamic Acid Negatively-charged Helix H (helix) G (3₁₀-helix) 33 -65.4 -17.6 88.62 Low-density lipoprotein receptor EGF-like 2; calcium-binding Extracellular 146 -3.5 E357-T363 (PDBs: 1I0U) E357-T363 (PAE: 4.5) E357-T363 (PDBs: 1HJ7, 1HZ8, 1I0U), E357-N370 (PDBs: 3M0C), E357-D362 (PDBs: 3M0C), E357-Y375 (PDBs: 3M0C) E357-T363 (PAE: 4.5), E357-N370 (PAE: 2.5), E357-G374 (PAE: 3.0), E357-Y375 (PAE: 2.0) 9.3700 -0.4423 6.1973 3.6180 358 C Cysteine Special, a very reactive sulfhydryl group Helix H (helix) G (3₁₀-helix) 36 -78.4 -4.7 85.88 Low-density lipoprotein receptor Disulfide bond 358-368 EGF-like 2; calcium-binding Extracellular 121 2.5 C358-N370 (PDBs: 1HJ7, 1HZ8, 1I0U, 3M0C), C358-V369 (PDBs: 1HJ7, 1HZ8, 1I0U, 3M0C), C358-T363 (PDBs: 1HJ7, 1HZ8, 1I0U, 3M0C), C358-D362 (PDBs: 3M0C), C358-C368 (PDBs: 3M0C) C358-N370 (PAE: 2.0), C358-V369 (PAE: 2.0), C358-C368 (PAE: 3.0) C358-C368 (PDBs: 1HJ7, 1HZ8, 1I0U, 3M0C) C358-C368 (PAE: 3.0) 14.6200 2.6074 8.3950 3.6180 359 Q Glutamine Polar/Neutral Helix H (helix) G (3₁₀-helix) 140 -73.7 -24.0 83.44 Low-density lipoprotein receptor EGF-like 2; calcium-binding Extracellular 146 -3.5 Q359-T363 (PDBs: 3M0C) 4.3600 -1.4758 2.2211 3.6180 360 D Aspartic Acid Negatively-charged C (loop/coil) S (bend) 78 -86.2 114.5 77.44 Low-density lipoprotein receptor EGF-like 2; calcium-binding Extracellular 132 -3.5 D360-D356 (PDBs: 1I0U) 7.6300 0.8622 3.1506 3.6180 361 P Proline Special, No backbone hydrogen C (loop/coil) T (turn) 47 -60.5 -16.4 72.62 Low-density lipoprotein receptor EGF-like 2; calcium-binding Extracellular 115 -1.6 4.8800 0.5462 0.7185 3.6180 362 D Aspartic Acid Negatively-charged C (loop/coil) T (turn) 46 -84.1 -9.9 72.06 Low-density lipoprotein receptor EGF-like 2; calcium-binding Extracellular 132 -3.5 D362-K596 (PAE: 7.0) D362-E357 (PDBs: 3M0C), D362-C358 (PDBs: 3M0C) D362-L634 (PAE: 5.0) D362-K596 (PAE: 7.0) 5.8700 0.8622 1.3886 3.6180 363 T Threonine Polar/Neutral Beta strand C (loop/coil) S (bend) 27 -64.4 -39.6 78.5 Low-density lipoprotein receptor EGF-like 2; calcium-binding Extracellular 119 -0.7 T363-E357 (PDBs: 1I0U) T363-E357 (PAE: 4.5) T363-C358 (PDBs: 1HJ7, 1HZ8, 1I0U, 3M0C), T363-E357 (PDBs: 1HJ7, 1HZ8, 1I0U), T363-Q359 (PDBs: 3M0C), T363-C368 (PDBs: 3M0C) T363-E357 (PAE: 4.5), T363-C377 (PAE: 2.5), T363-C368 (PAE: 4.0) 7.8800 -1.6869 5.9517 3.6180 364 C Cysteine Special, a very reactive sulfhydryl group Beta strand C (loop/coil) C (loop/coil) 9 -138.0 143.5 79.81 Low-density lipoprotein receptor Disulfide bond 364-377 EGF-like 2; calcium-binding Extracellular 121 2.5 C364-C392 (PDBs: 1I0U), C364-C368 (PDBs: 3M0C), C364-C377 (PDBs: 3M0C) C364-C368 (PAE: 2.5), C364-C377 (PAE: 3.5) C364-C377 (PDBs: 1HJ7, 1HZ8, 1I0U, 3M0C) C364-C377 (PAE: 3.5) 13.2200 2.6074 6.9955 3.6180 365 S Serine Polar/Neutral Beta strand C (loop/coil) S (bend) 18 -65.6 -21.8 75.88 Low-density lipoprotein receptor EGF-like 2; calcium-binding Extracellular 105 -0.8 Pocket 5: Pocket prob: 0.12%, Mean pLDDT: 87.58 0.12 S365-C377 (PDBs: 3M0C) S365-C392 (PAE: 5.0) 8.4900 -1.0776 5.9517 3.6180 366 Q Glutamine Polar/Neutral Beta strand C (loop/coil) S (bend) 36 -137.3 -106.6 80.75 Low-density lipoprotein receptor EGF-like 2; calcium-binding Extracellular 146 -3.5 Pocket 5: Pocket prob: 0.12%, Mean pLDDT: 87.58 0.12 Q366-C392 (PDBs: 1HZ8) Q366-E380 (PAE: 3.5) Q366-E380 (PDBs: 1HZ8), Q366-Q378 (PDBs: 1HZ8, 3M0C), Q366-C392 (PDBs: 1HZ8), Q366-C377 (PDBs: 3M0C) Q366-E380 (PAE: 3.5), Q366-Q378 (PAE: 3.0), Q366-C392 (PAE: 4.5), Q366-C379 (PAE: 3.0) 8.0900 -1.4758 5.9517 3.6180 367 L Leucine Aliphatic Beta strand B (undefined) E (parallel sheets) 77 -90.5 121.8 85.31 Low-density lipoprotein receptor EGF-like 2; calcium-binding Extracellular 131 3.8 L367-Q378 (PDBs: 1HJ7, 1HZ8, 1I0U, 3M0C) L367-Q378 (PAE: 2.5) L367-Q378 (PDBs: 1HJ7, 1HZ8, 1I0U, 3M0C), L367-C379 (PDBs: 1I0U), L367-C377 (PDBs: 3M0C) L367-C377 (PAE: 2.0), L367-Q378 (PAE: 2.5) 8.9400 0.3196 5.0003 3.6180 368 C Cysteine Special, a very reactive sulfhydryl group Beta strand B (undefined) E (parallel sheets) 30 -99.9 133.9 87.56 Low-density lipoprotein receptor Disulfide bond 358-368 EGF-like 2; calcium-binding Extracellular 121 2.5 C368-Q378 (PDBs: 1I0U), C368-T363 (PDBs: 3M0C), C368-C364 (PDBs: 3M0C), C368-C358 (PDBs: 3M0C) C368-T363 (PAE: 4.0), C368-C364 (PAE: 2.5), C368-C358 (PAE: 3.0) C368-C358 (PDBs: 1HJ7, 1HZ8, 1I0U, 3M0C) C368-C358 (PAE: 3.0) 14.3800 2.6074 8.1514 3.6180 369 V Valine Aliphatic Beta strand B (undefined) E (parallel sheets) 48 -121.7 113.5 90.75 Low-density lipoprotein receptor EGF-like 2; calcium-binding Extracellular 117 4.2 V369-K376 (PDBs: 1HJ7, 1HZ8, 1I0U) V369-K376 (PAE: 1.5) V369-C358 (PDBs: 1HJ7, 1HZ8, 1I0U, 3M0C), V369-Q378 (PDBs: 1HJ7, 3M0C), V369-K376 (PDBs: 1HJ7, 1HZ8, 1I0U, 3M0C) V369-Q378 (PAE: 3.0), V369-C358 (PAE: 2.0), V369-Y375 (PAE: 2.0), V369-K376 (PAE: 1.5) 8.9400 0.3196 5.0003 3.6180 370 N Asparagine Polar/Neutral B (undefined) E (parallel sheets) 49 -73.8 134.2 90.88 Low-density lipoprotein receptor EGF-like 2; calcium-binding Extracellular 132 -3.5 N370-D354 (PAE: 2.5) N370-D356 (PDBs: 1HJ7, 1HZ8, 1I0U, 3M0C), N370-C358 (PDBs: 1HJ7, 1HZ8, 1I0U, 3M0C), N370-E357 (PDBs: 3M0C) N370-D356 (PAE: 2.0), N370-E357 (PAE: 2.5), N370-C358 (PAE: 2.0) 7.5400 -1.0776 5.0003 3.6180 371 L Leucine Aliphatic B (undefined) E (parallel sheets) 91 -125.4 157.6 91.44 Low-density lipoprotein receptor EGF-like 2; calcium-binding Extracellular 131 3.8 L371-Y375 (PDBs: 1HZ8, 1I0U) 7.0900 0.3196 3.1526 3.6180 372 E Glutamic Acid Negatively-charged Beta strand C (loop/coil) T (turn) 169 -67.1 112.9 88.38 Low-density lipoprotein receptor EGF-like 2; calcium-binding Extracellular 146 -3.5 E372-E353 (PDBs: 1HZ8), E372-D354 (PDBs: 3M0C) E372-D354 (PAE: 2.5) E372-R351 (PDBs: 1HZ8) 3.8100 -0.4423 0.6357 3.6180 373 G Glycine Special, lack of a chiral carbon, smallest amino acid, very flexible Beta strand C (loop/coil) T (turn) 34 89.3 14.0 83.25 Low-density lipoprotein receptor EGF-like 2; calcium-binding Extracellular 75 -0.4 G373-D354 (PAE: 3.5) G373-F344 (PDBs: 1HZ8), G373-D354 (PDBs: 3M0C) G373-F344 (PAE: 2.5), G373-D354 (PAE: 3.5) 9.8600 1.8506 4.3952 3.6180 374 G Glycine Special, lack of a chiral carbon, smallest amino acid, very flexible Beta strand B (undefined) E (parallel sheets) 18 150.7 178.3 88.69 Low-density lipoprotein receptor EGF-like 2; calcium-binding Extracellular 75 -0.4 G374-E357 (PAE: 3.0) 7.7500 1.8506 2.2770 3.6180 375 Y Tyrosine Aromatic B (undefined) E (parallel sheets) 113 -116.8 166.2 89.69 Low-density lipoprotein receptor EGF-like 2; calcium-binding Extracellular 181 -1.3 Y375-L371 (PDBs: 1HZ8, 1I0U), Y375-E357 (PDBs: 3M0C) Y375-E357 (PAE: 2.0), Y375-V369 (PAE: 2.0) 8.1700 1.3991 3.1526 3.6180 376 K Lysine Positively-charged B (undefined) E (parallel sheets) 119 -130.4 122.3 88.56 Low-density lipoprotein receptor EGF-like 2; calcium-binding Extracellular 147 -3.9 K376-V369 (PDBs: 1HJ7, 1HZ8, 1I0U) K376-V369 (PAE: 1.5) K376-V369 (PDBs: 1HJ7, 1HZ8, 1I0U, 3M0C) K376-V369 (PAE: 1.5) 9.8700 0.3020 5.9537 3.6180 377 C Cysteine Special, a very reactive sulfhydryl group B (undefined) E (parallel sheets) 35 -77.5 137.1 87.0 Low-density lipoprotein receptor Disulfide bond 364-377 EGF-like 2; calcium-binding Extracellular 121 2.5 C377-S365 (PDBs: 3M0C), C377-C392 (PDBs: 3M0C), C377-C364 (PDBs: 3M0C), C377-L367 (PDBs: 3M0C), C377-Q366 (PDBs: 3M0C) C377-T363 (PAE: 2.5), C377-C364 (PAE: 3.5), C377-L367 (PAE: 2.0) C377-C364 (PDBs: 1HJ7, 1HZ8, 1I0U, 3M0C) C377-C364 (PAE: 3.5) 14.3800 2.6074 8.1514 3.6180 378 Q Glutamine Polar/Neutral Helix B (undefined) E (parallel sheets) 78 -125.9 159.9 87.44 Low-density lipoprotein receptor EGF-like 2; calcium-binding Extracellular 146 -3.5 Q378-L367 (PDBs: 1HJ7, 1HZ8, 1I0U, 3M0C) Q378-L367 (PAE: 2.5) Q378-L367 (PDBs: 1HJ7, 1HZ8, 1I0U, 3M0C), Q378-V369 (PDBs: 1HJ7, 3M0C), Q378-Q366 (PDBs: 1HZ8, 3M0C), Q378-C368 (PDBs: 1I0U), Q378-C392 (PDBs: 3M0C) Q378-L367 (PAE: 2.5), Q378-C392 (PAE: 3.0), Q378-V369 (PAE: 3.0), Q378-Q366 (PAE: 3.0) 7.1400 -1.4758 5.0003 3.6180 379 C Cysteine Special, a very reactive sulfhydryl group Helix C (loop/coil) C (loop/coil) 33 -107.8 147.5 87.06 Low-density lipoprotein receptor Disulfide bond 379-392 EGF-like 2; calcium-binding Extracellular 121 2.5 C379-Q384 (PDBs: 1HZ8, 1I0U, 3M0C), C379-L385 (PDBs: 1HZ8, 3M0C), C379-L367 (PDBs: 1I0U), C379-C392 (PDBs: 3M0C), C379-F383 (PDBs: 3M0C) C379-C392 (PAE: 3.5), C379-Q384 (PAE: 2.5), C379-F383 (PAE: 2.0), C379-L385 (PAE: 3.0), C379-Q366 (PAE: 3.0) C379-C392 (PDBs: 1HJ7, 1HZ8, 1I0U, 3M0C) C379-C392 (PAE: 3.5) 13.7700 2.6074 7.5464 3.6180 380 E Glutamic Acid Negatively-charged Helix C (loop/coil) C (loop/coil) 58 -73.9 171.3 82.75 Low-density lipoprotein receptor EGF-like 2; calcium-binding Extracellular 146 -3.5 Pocket 5: Pocket prob: 0.12%, Mean pLDDT: 87.58 0.12 E380-Q366 (PAE: 3.5) E380-Q366 (PDBs: 1HZ8) E380-Q366 (PAE: 3.5) 7.5700 -0.4423 4.3952 3.6180 381 E Glutamic Acid Negatively-charged Beta strand C (loop/coil) T (turn) 190 -58.3 124.5 84.0 Low-density lipoprotein receptor EGF-like 2; calcium-binding Extracellular 146 -3.5 1.9800 -0.4423 -1.1934 3.6180 382 G Glycine Special, lack of a chiral carbon, smallest amino acid, very flexible Beta strand C (loop/coil) T (turn) 34 95.3 -6.9 81.88 Low-density lipoprotein receptor EGF-like 2; calcium-binding Extracellular 75 -0.4 G382-V395 (PDBs: 1HZ8, 1I0U) G382-V395 (PAE: 4.5) G382-V395 (PDBs: 1HZ8, 1I0U, 3M0C), G382-A394 (PDBs: 3M0C) G382-L658 (PAE: 4.0), G382-V395 (PAE: 4.5), G382-A394 (PAE: 4.0) 9.8600 1.8506 4.3952 3.6180 383 F Phenylalanine Aromatic Beta strand B (undefined) E (parallel sheets) 23 -111.7 148.3 84.94 Low-density lipoprotein receptor EGF-like 2; calcium-binding Extracellular 165 2.8 Pocket 5: Pocket prob: 0.12%, Mean pLDDT: 87.58 0.12 F383-K393 (PDBs: 1HJ7, 1HZ8, 1I0U), F383-A394 (PDBs: 1HZ8, 1I0U, 3M0C), F383-V395 (PDBs: 1HZ8, 1I0U), F383-C379 (PDBs: 3M0C), F383-C392 (PDBs: 3M0C) F383-C379 (PAE: 2.0), F383-K393 (PAE: 2.0), F383-C392 (PAE: 2.0), F383-A394 (PAE: 1.5) 9.1200 1.3991 4.1061 3.6180 384 Q Glutamine Polar/Neutral Beta strand B (undefined) E (parallel sheets) 132 -127.9 140.4 86.44 Low-density lipoprotein receptor EGF-like 2; calcium-binding Extracellular 146 -3.5 Q384-K393 (PDBs: 1HJ7, 1HZ8, 1I0U) Q384-K393 (PAE: 2.0) Q384-K393 (PDBs: 1HJ7, 1HZ8, 1I0U, 3M0C), Q384-C379 (PDBs: 1HZ8, 1I0U, 3M0C), Q384-A391 (PDBs: 3M0C), Q384-C392 (PDBs: 3M0C) Q384-V395 (PAE: 3.5), Q384-K393 (PAE: 2.0), Q384-C379 (PAE: 2.5), Q384-C392 (PAE: 2.0) 7.1400 -1.4758 5.0003 3.6180 385 L Leucine Aliphatic Beta strand B (undefined) E (parallel sheets) 83 -70.8 119.5 85.12 Low-density lipoprotein receptor EGF-like 2; calcium-binding Extracellular 131 3.8 L385-C379 (PDBs: 1HZ8, 3M0C), L385-A391 (PDBs: 3M0C), L385-K390 (PDBs: 3M0C) L385-A391 (PAE: 2.5), L385-K390 (PAE: 2.5), L385-C379 (PAE: 3.0) 7.0900 0.3196 3.1526 3.6180 386 D Aspartic Acid Negatively-charged C (loop/coil) C (loop/coil) 32 -75.0 121.4 81.81 Low-density lipoprotein receptor EGF-like 2; calcium-binding Extracellular 132 -3.5 D386-A391 (PDBs: 1HJ7, 1HZ8, 1I0U), D386-K390 (PDBs: 1HZ8, 1I0U) D386-K393 (PAE: 3.0), D386-K390 (PAE: 2.0), D386-A391 (PAE: 2.5) D386-K390 (PDBs: 1HJ7, 1HZ8, 1I0U), D386-A391 (PDBs: 1HJ7, 1HZ8, 1I0U, 3M0C), D386-E418 (PDBs: 3M0C), D386-K393 (PDBs: 3M0C) D386-K393 (PAE: 3.0), D386-K390 (PAE: 2.0), D386-A391 (PAE: 2.5) D386-K393 (PDBs: 1HJ7, 1HZ8) D386-K393 (PAE: 3.0) 9.9700 0.8622 5.4888 3.6180 387 P Proline Special, No backbone hydrogen Turn C (loop/coil) T (turn) 121 -61.4 -20.8 81.88 Low-density lipoprotein receptor EGF-like 2; calcium-binding Extracellular 115 -1.6 4.1000 0.5462 -0.0621 3.6180 388 H Histidine Positively-charged Turn C (loop/coil) T (turn) 177 -91.5 -43.3 79.94 Low-density lipoprotein receptor EGF-like 2; calcium-binding Extracellular 155 -3.2 1.6000 -1.0025 -1.0155 3.6180 389 T Threonine Polar/Neutral Turn C (loop/coil) T (turn) 76 -95.9 -14.0 76.56 Low-density lipoprotein receptor EGF-like 2; calcium-binding Extracellular 119 -0.7 0.9200 -1.6869 -1.0155 3.6180 390 K Lysine Positively-charged C (loop/coil) C (loop/coil) 169 53.9 14.1 75.75 Low-density lipoprotein receptor EGF-like 2; calcium-binding Extracellular 147 -3.9 Morphology: FQLDPHTkACKAVGS; Domain: EGF_CA K390-D386 (PDBs: 1HZ8, 1I0U) K390-D386 (PAE: 2.0) K390-D386 (PDBs: 1HJ7, 1HZ8, 1I0U), K390-L385 (PDBs: 3M0C) K390-D386 (PAE: 2.0), K390-L385 (PAE: 2.5) 6.5900 0.3020 2.6692 3.6180 391 A Alanine Aliphatic C (loop/coil) C (loop/coil) 6 -86.9 146.1 79.56 Low-density lipoprotein receptor EGF-like 2; calcium-binding Extracellular 89 1.8 dbSNP: rs11669576; Variant type: LB/B; AA change: Ala391Thr; PTM type: Ubiquitylation; PTM morphology: LDPHTkA*CKAV; Var class: II A391-D386 (PDBs: 1HJ7, 1HZ8, 1I0U) A391-D386 (PAE: 2.5) A391-D386 (PDBs: 1HJ7, 1HZ8, 1I0U, 3M0C), A391-L385 (PDBs: 3M0C), A391-Q384 (PDBs: 3M0C) A391-L385 (PAE: 2.5), A391-D386 (PAE: 2.5), A391-D616 (PAE: 4.0) 9.1300 0.7136 4.7978 3.6180 392 C Cysteine Special, a very reactive sulfhydryl group Beta strand B (undefined) E (parallel sheets) 1 -82.7 104.0 85.62 Low-density lipoprotein receptor Disulfide bond 379-392 EGF-like 2; calcium-binding Extracellular 121 2.5 C392-Q366 (PDBs: 1HZ8) C392-Q366 (PDBs: 1HZ8), C392-C364 (PDBs: 1I0U), C392-C377 (PDBs: 3M0C), C392-F383 (PDBs: 3M0C), C392-Q378 (PDBs: 3M0C), C392-Q384 (PDBs: 3M0C), C392-C379 (PDBs: 3M0C) C392-F383 (PAE: 2.0), C392-E615 (PAE: 3.5), C392-S365 (PAE: 5.0), C392-Q378 (PAE: 3.0), C392-Q384 (PAE: 2.0), C392-Q366 (PAE: 4.5), C392-C379 (PAE: 3.5) C392-C379 (PDBs: 1HJ7, 1HZ8, 1I0U, 3M0C) C392-C379 (PAE: 3.5) 16.9200 2.6074 10.6900 3.6180 393 K Lysine Positively-charged Beta strand B (undefined) E (parallel sheets) 76 -94.8 142.3 85.31 Low-density lipoprotein receptor EGF-like 2; calcium-binding Extracellular 147 -3.9 K393-Q384 (PDBs: 1HJ7, 1HZ8, 1I0U) K393-D386 (PAE: 3.0), K393-Q384 (PAE: 2.0) K393-F383 (PDBs: 1HJ7, 1HZ8, 1I0U), K393-Q384 (PDBs: 1HJ7, 1HZ8, 1I0U, 3M0C), K393-D386 (PDBs: 3M0C) K393-F383 (PAE: 2.0), K393-E615 (PAE: 3.5), K393-D386 (PAE: 3.0), K393-Q384 (PAE: 2.0) K393-D386 (PDBs: 1HJ7, 1HZ8) K393-D386 (PAE: 3.0) 9.8700 0.3020 5.9537 3.6180 394 A Alanine Aliphatic Beta strand B (undefined) E (parallel sheets) 22 -67.0 138.9 85.88 Low-density lipoprotein receptor Extracellular 89 1.8 A394-E615 (PAE: 3.5) A394-F383 (PDBs: 1HZ8, 1I0U, 3M0C), A394-G382 (PDBs: 3M0C) A394-E615 (PAE: 3.5), A394-F383 (PAE: 1.5), A394-G382 (PAE: 4.0), A394-L658 (PAE: 4.0) 8.5200 0.7136 5.9537 1.8539 395 V Valine Aliphatic H (helix) P (polyproline helix) 71 -96.1 130.2 83.06 Low-density lipoprotein receptor Extracellular 117 4.2 V395-G382 (PDBs: 1HZ8, 1I0U) V395-G382 (PAE: 4.5) V395-G382 (PDBs: 1HZ8, 1I0U, 3M0C), V395-F383 (PDBs: 1HZ8, 1I0U) V395-G382 (PAE: 4.5), V395-Q384 (PAE: 3.5) 6.0200 0.3196 3.8443 1.8539 396 G Glycine Special, lack of a chiral carbon, smallest amino acid, very flexible C (loop/coil) S (bend) 75 108.4 -76.8 76.62 Low-density lipoprotein receptor Extracellular 75 -0.4 G396-H656 (PDBs: 3M0C) G396-H656 (PDBs: 3M0C) 7.5300 1.8506 3.8231 1.8539 397 S Serine Polar/Neutral C (loop/coil) S (bend) 63 -89.3 144.1 78.44 Low-density lipoprotein receptor LDL-receptor class B 1 Extracellular 105 -0.8 S397-H656 (PAE: 3.5) S397-H656 (PAE: 3.5) 7.4300 -1.0776 4.9982 3.5132 398 I Isoleucine Aliphatic H (helix) P (polyproline helix) 102 -76.3 132.5 86.5 Low-density lipoprotein receptor LDL-receptor class B 1 Extracellular 131 4.5 I398-T413 (PDBs: 3M0C) 2.8300 0.3196 -1.0075 3.5132 399 A Alanine Aliphatic H (helix) P (polyproline helix) 7 -85.5 139.0 92.56 Low-density lipoprotein receptor LDL-receptor class B 1 Extracellular 89 1.8 A399-L414 (PDBs: 1IJQ, 3M0C), A399-H656 (PDBs: 1IJQ, 3M0C), A399-F655 (PDBs: 1IJQ, 3M0C), A399-T413 (PDBs: 1IJQ), A399-L654 (PDBs: 3M0C) A399-L414 (PAE: 2.0), A399-F655 (PAE: 1.5), A399-T413 (PAE: 2.0) 6.9000 0.7136 2.6727 3.5132 400 Y Tyrosine Aromatic Beta strand B (undefined) E (parallel sheets) 41 -121.1 150.3 94.06 Low-density lipoprotein receptor LDL-receptor class B 1 Extracellular 181 -1.3 Y400-F655 (PDBs: 1IJQ, 3M0C) Y400-F655 (PAE: 1.0) Y400-F655 (PDBs: 1IJQ, 3M0C), Y400-K411 (PDBs: 1IJQ, 3M0C), Y400-M412 (PDBs: 1IJQ, 3M0C), Y400-T413 (PDBs: 1IJQ, 3M0C), Y400-L654 (PDBs: 1IJQ, 3M0C) Y400-F655 (PAE: 1.0), Y400-K411 (PAE: 1.5), Y400-M412 (PAE: 1.0), Y400-T413 (PAE: 1.0), Y400-L654 (PAE: 1.0) 10.5900 1.3991 5.6763 3.5132 401 L Leucine Aliphatic Beta strand B (undefined) E (parallel sheets) 0 -101.7 125.6 95.69 Low-density lipoprotein receptor LDL-receptor class B 1 Extracellular 131 3.8 L401-M412 (PDBs: 1IJQ, 3M0C) L401-M412 (PAE: 1.0) L401-V653 (PDBs: 1IJQ, 3M0C), L401-K411 (PDBs: 1IJQ, 3M0C), L401-L414 (PDBs: 1IJQ, 3M0C), L401-M412 (PDBs: 1IJQ, 3M0C), L401-M652 (PDBs: 1IJQ, 3M0C), L401-L654 (PDBs: 1IJQ, 3M0C) L401-V653 (PAE: 1.0), L401-K411 (PAE: 1.0), L401-L414 (PAE: 2.0), L401-M412 (PAE: 1.0), L401-M652 (PAE: 1.5), L401-L654 (PAE: 1.0) 10.2000 0.3196 6.3673 3.5132 402 F Phenylalanine Aromatic Beta strand B (undefined) E (parallel sheets) 5 -107.1 133.9 95.81 Low-density lipoprotein receptor LDL-receptor class B 1 Extracellular 165 2.8 F402-V653 (PDBs: 1IJQ, 3M0C) F402-V653 (PAE: 1.0) F402-F655 (PDBs: 1IJQ, 3M0C), F402-V653 (PDBs: 1IJQ, 3M0C), F402-K411 (PDBs: 1IJQ, 3M0C), F402-M652 (PDBs: 1IJQ, 3M0C), F402-R410 (PDBs: 1IJQ, 3M0C), F402-L422 (PDBs: 1IJQ, 3M0C) F402-F655 (PAE: 1.0), F402-V653 (PAE: 1.0), F402-K411 (PAE: 1.0), F402-M652 (PAE: 1.0), F402-R410 (PAE: 1.0) 11.2800 1.3991 6.3673 3.5132 403 F Phenylalanine Aromatic Beta strand B (undefined) E (parallel sheets) 0 -144.7 152.4 96.25 Low-density lipoprotein receptor LDL-receptor class B 1 Extracellular 165 2.8 F403-R410 (PDBs: 1IJQ, 3M0C) F403-R410 (PAE: 1.0) F403-D651 (PDBs: 1IJQ, 3M0C), F403-V409 (PDBs: 1IJQ, 3M0C), F403-R410 (PDBs: 1IJQ, 3M0C), F403-M652 (PDBs: 1IJQ) F403-L432 (PAE: 1.5), F403-D651 (PAE: 1.0), F403-R410 (PAE: 1.0), F403-V409 (PAE: 1.0) 11.2800 1.3991 6.3673 3.5132 404 T Threonine Polar/Neutral Beta strand B (undefined) E (parallel sheets) 0 -76.7 147.3 95.81 Low-density lipoprotein receptor LDL-receptor class B 1 Extracellular 119 -0.7 T404-D651 (PDBs: 1IJQ, 3M0C) T404-D651 (PAE: 1.0), T404-V430 (PAE: 2.0) T404-V429 (PDBs: 1IJQ, 3M0C), T404-E650 (PDBs: 1IJQ, 3M0C), T404-D651 (PDBs: 1IJQ, 3M0C), T404-E408 (PDBs: 1IJQ, 3M0C), T404-P649 (PDBs: 1IJQ, 3M0C), T404-S648 (PDBs: 1IJQ, 3M0C) T404-V429 (PAE: 2.0), T404-V430 (PAE: 2.0), T404-E650 (PAE: 2.0), T404-D651 (PAE: 1.0), T404-E408 (PAE: 1.0), T404-L432 (PAE: 1.5), T404-P649 (PAE: 1.5), T404-S648 (PAE: 2.0) 8.1900 -1.6869 6.3673 3.5132 405 N Asparagine Polar/Neutral C (loop/coil) C (loop/coil) 5 -142.0 48.5 94.44 Low-density lipoprotein receptor LDL-receptor class B 1 Extracellular 132 -3.5 N405-L647 (PDBs: 1IJQ, 3M0C) N405-L647 (PAE: 2.0) N405-R410 (PDBs: 1IJQ, 3M0C), N405-L646 (PDBs: 1IJQ, 3M0C), N405-L647 (PDBs: 1IJQ, 3M0C) N405-R410 (PAE: 1.5), N405-L646 (PAE: 2.0), N405-L647 (PAE: 2.0) 7.6500 -1.0776 5.2114 3.5132 406 R Arginine Positively-charged Beta strand B (undefined) B (beta bridge) 119 58.7 -56.3 89.81 Low-density lipoprotein receptor LDL-receptor class B 1 Extracellular 175 -4.5 R406-V429 (PDBs: 1IJQ, 3M0C), R406-S648 (PDBs: 1IJQ, 3M0C) R406-V429 (PAE: 2.0) R406-L647 (PDBs: 1IJQ, 3M0C), R406-N428 (PDBs: 1IJQ, 3M0C), R406-V429 (PDBs: 1IJQ, 3M0C), R406-S648 (PDBs: 1IJQ, 3M0C), R406-R427 (PDBs: 1IJQ, 3M0C) R406-L647 (PAE: 3.0), R406-V429 (PAE: 2.0), R406-N428 (PAE: 2.0), R406-R427 (PAE: 2.0) 8.4600 -1.0025 5.9517 3.5132 407 H Histidine Positively-charged Beta strand C (loop/coil) S (bend) 91 -110.2 1.0 91.56 Low-density lipoprotein receptor LDL-receptor class B 1 Extracellular 155 -3.2 H407-L426 (PDBs: 1IJQ, 3M0C) H407-R427 (PAE: 2.0), H407-L426 (PAE: 1.5) H407-N425 (PDBs: 1IJQ, 3M0C), H407-R427 (PDBs: 1IJQ, 3M0C), H407-L426 (PDBs: 1IJQ, 3M0C) H407-N425 (PAE: 2.0), H407-R427 (PAE: 2.0), H407-L426 (PAE: 1.5) 9.1500 -1.0025 6.6427 3.5132 408 E Glutamic Acid Negatively-charged Beta strand C (loop/coil) C (loop/coil) 38 -155.2 163.4 92.06 Low-density lipoprotein receptor LDL-receptor class B 1 Extracellular 146 -3.5 E408-S421 (PDBs: 1IJQ, 3M0C) E408-S421 (PDBs: 1IJQ, 3M0C), E408-I423 (PDBs: 1IJQ, 3M0C), E408-V429 (PDBs: 1IJQ, 3M0C), E408-T404 (PDBs: 1IJQ, 3M0C) E408-S421 (PAE: 2.0), E408-I423 (PAE: 1.5), E408-V429 (PAE: 1.5), E408-T404 (PAE: 1.0) E408-R410 (PDBs: 1IJQ, 3M0C) E408-R410 (PAE: 1.5) 8.5400 -0.4423 5.4679 3.5132 409 V Valine Aliphatic Beta strand B (undefined) E (parallel sheets) 0 -107.7 125.1 94.31 Low-density lipoprotein receptor LDL-receptor class B 1 Extracellular 117 4.2 V409-I423 (PDBs: 1IJQ, 3M0C), V409-L422 (PDBs: 1IJQ, 3M0C) V409-I423 (PAE: 1.0), V409-L422 (PAE: 1.0) V409-S421 (PDBs: 1IJQ, 3M0C), V409-I423 (PDBs: 1IJQ, 3M0C), V409-F403 (PDBs: 1IJQ, 3M0C), V409-L422 (PDBs: 1IJQ, 3M0C) V409-S421 (PAE: 1.5), V409-I423 (PAE: 1.0), V409-F403 (PAE: 1.0), V409-L422 (PAE: 1.0) 10.2000 0.3196 6.3673 3.5132 410 R Arginine Positively-charged Beta strand B (undefined) E (parallel sheets) 60 -102.1 155.8 93.94 Low-density lipoprotein receptor LDL-receptor class B 1 Extracellular 175 -4.5 R410-F403 (PDBs: 1IJQ, 3M0C) R410-F403 (PAE: 1.0), R410-Y419 (PAE: 1.5) R410-F403 (PDBs: 1IJQ, 3M0C), R410-T420 (PDBs: 1IJQ, 3M0C), R410-Y419 (PDBs: 1IJQ), R410-N405 (PDBs: 1IJQ, 3M0C), R410-F402 (PDBs: 1IJQ, 3M0C), R410-S421 (PDBs: 1IJQ) R410-F403 (PAE: 1.0), R410-Y419 (PAE: 1.5), R410-T420 (PAE: 1.5), R410-N405 (PAE: 1.5), R410-F402 (PAE: 1.0) R410-E408 (PDBs: 1IJQ, 3M0C) R410-E408 (PAE: 1.5) 9.5500 -1.0025 7.0373 3.5132 411 K Lysine Positively-charged Beta strand B (undefined) E (parallel sheets) 35 -123.3 139.1 94.0 Low-density lipoprotein receptor LDL-receptor class B 1 Extracellular 147 -3.9 K411-T420 (PDBs: 1IJQ, 3M0C) K411-T420 (PAE: 2.0) K411-F402 (PDBs: 1IJQ, 3M0C), K411-Y419 (PDBs: 1IJQ, 3M0C), K411-L401 (PDBs: 1IJQ, 3M0C), K411-T420 (PDBs: 1IJQ, 3M0C), K411-Y400 (PDBs: 1IJQ, 3M0C), K411-E418 (PDBs: 1IJQ, 3M0C) K411-F402 (PAE: 1.0), K411-Y419 (PAE: 1.5), K411-L401 (PAE: 1.0), K411-T420 (PAE: 2.0), K411-Y400 (PAE: 1.5), K411-E418 (PAE: 2.5) 10.1600 0.3020 6.3463 3.5132 412 M Methionine Aliphatic Beta strand B (undefined) E (parallel sheets) 1 -145.7 157.6 93.81 Low-density lipoprotein receptor LDL-receptor class B 1 Extracellular 149 1.9 M412-L401 (PDBs: 1IJQ, 3M0C) M412-L401 (PAE: 1.0) M412-E418 (PDBs: 1IJQ, 3M0C), M412-Y400 (PDBs: 1IJQ, 3M0C), M412-Y419 (PDBs: 1IJQ, 3M0C), M412-L401 (PDBs: 1IJQ, 3M0C), M412-S417 (PDBs: 1IJQ, 3M0C) M412-E418 (PAE: 2.5), M412-Y400 (PAE: 1.0), M412-Y419 (PAE: 2.0), M412-L401 (PAE: 1.0), M412-S417 (PAE: 3.0) 10.2000 0.3196 6.3673 3.5132 413 T Threonine Polar/Neutral Beta strand B (undefined) E (parallel sheets) 4 -81.6 166.0 93.12 Low-density lipoprotein receptor LDL-receptor class B 1 Extracellular 119 -0.7 T413-E418 (PDBs: 1IJQ), T413-S417 (PDBs: 1IJQ, 3M0C) T413-S417 (PAE: 3.0) T413-Y400 (PDBs: 1IJQ, 3M0C), T413-E418 (PDBs: 1IJQ, 3M0C), T413-A399 (PDBs: 1IJQ), T413-S417 (PDBs: 1IJQ, 3M0C), T413-I398 (PDBs: 3M0C) T413-Y400 (PAE: 1.0), T413-A399 (PAE: 2.0), T413-S417 (PAE: 3.0) 8.1900 -1.6869 6.3673 3.5132 414 L Leucine Aliphatic C (loop/coil) T (turn) 42 -66.8 -18.5 89.75 Low-density lipoprotein receptor LDL-receptor class B 1 Extracellular 131 3.8 L414-A399 (PDBs: 1IJQ, 3M0C), L414-L642 (PDBs: 1IJQ, 3M0C), L414-L401 (PDBs: 1IJQ, 3M0C) L414-A399 (PAE: 2.0), L414-L401 (PAE: 2.0) 7.0600 0.3196 3.2236 3.5132 415 D Aspartic Acid Negatively-charged C (loop/coil) T (turn) 120 -95.8 13.4 83.88 Low-density lipoprotein receptor LDL-receptor class B 1 Extracellular 132 -3.5 6.0500 0.8622 1.6720 3.5132 416 R Arginine Positively-charged C (loop/coil) S (bend) 128 66.6 22.7 85.75 Low-density lipoprotein receptor LDL-receptor class B 1 Extracellular 175 -4.5 R416-L641 (PDBs: 1IJQ, 3M0C), R416-E644 (PDBs: 1IJQ, 3M0C) R416-L642 (PDBs: 1IJQ, 3M0C), R416-A643 (PDBs: 1IJQ, 3M0C) R416-L642 (PAE: 4.0) R416-E644 (PDBs: 1IJQ, 3M0C) 9.8200 -1.0025 7.3127 3.5132 417 S Serine Polar/Neutral C (loop/coil) C (loop/coil) 48 -96.6 174.5 84.0 Low-density lipoprotein receptor LDL-receptor class B 1 Extracellular 105 -0.8 S417-T413 (PDBs: 1IJQ, 3M0C) S417-T413 (PAE: 3.0) S417-M412 (PDBs: 1IJQ, 3M0C), S417-T413 (PDBs: 1IJQ, 3M0C) S417-M412 (PAE: 3.0), S417-T413 (PAE: 3.0) 8.3900 -1.0776 5.9517 3.5132 418 E Glutamic Acid Negatively-charged C (loop/coil) C (loop/coil) 101 47.8 41.7 87.0 Low-density lipoprotein receptor LDL-receptor class B 1 Extracellular 146 -3.5 E418-T413 (PDBs: 1IJQ) E418-K411 (PDBs: 1IJQ, 3M0C), E418-T413 (PDBs: 1IJQ, 3M0C), E418-M412 (PDBs: 1IJQ, 3M0C), E418-D386 (PDBs: 3M0C) E418-K411 (PAE: 2.5), E418-M412 (PAE: 2.5) 9.6900 -0.4423 6.6238 3.5132 419 Y Tyrosine Aromatic C (loop/coil) C (loop/coil) 97 -70.7 108.4 89.94 Low-density lipoprotein receptor LDL-receptor class B 1 Extracellular 181 -1.3 Y419-L642 (PDBs: 1IJQ, 3M0C) Y419-R410 (PAE: 1.5) Y419-K411 (PDBs: 1IJQ, 3M0C), Y419-R410 (PDBs: 1IJQ), Y419-M412 (PDBs: 1IJQ, 3M0C) Y419-K411 (PAE: 1.5), Y419-R410 (PAE: 1.5), Y419-M412 (PAE: 2.0) 11.5600 1.3991 6.6447 3.5132 420 T Threonine Polar/Neutral Beta strand B (undefined) E (parallel sheets) 59 -141.7 152.1 91.81 Low-density lipoprotein receptor LDL-receptor class B 1 Extracellular 119 -0.7 T420-K411 (PDBs: 1IJQ, 3M0C) T420-K411 (PAE: 2.0) T420-K411 (PDBs: 1IJQ, 3M0C), T420-R410 (PDBs: 1IJQ, 3M0C) T420-K411 (PAE: 2.0), T420-R410 (PAE: 1.5) 8.4700 -1.6869 6.6447 3.5132 421 S Serine Polar/Neutral Beta strand B (undefined) E (parallel sheets) 31 -77.1 114.9 90.62 Low-density lipoprotein receptor LDL-receptor class B 1 Extracellular 105 -0.8 S421-E408 (PDBs: 1IJQ, 3M0C) S421-R410 (PDBs: 1IJQ), S421-V409 (PDBs: 1IJQ, 3M0C), S421-E408 (PDBs: 1IJQ, 3M0C) S421-V409 (PAE: 1.5), S421-E408 (PAE: 2.0) 9.0800 -1.0776 6.6447 3.5132 422 L Leucine Aliphatic Beta strand B (undefined) E (parallel sheets) 14 -79.9 -46.8 90.88 Low-density lipoprotein receptor LDL-receptor class B 1 Extracellular 131 3.8 L422-V409 (PDBs: 1IJQ, 3M0C) L422-V409 (PAE: 1.0) L422-F402 (PDBs: 1IJQ, 3M0C), L422-V409 (PDBs: 1IJQ, 3M0C) L422-V409 (PAE: 1.0), L422-A459 (PAE: 8.5) 10.2000 0.3196 6.3673 3.5132 423 I Isoleucine Aliphatic Beta strand B (undefined) E (parallel sheets) 0 -127.4 102.9 91.0 Low-density lipoprotein receptor LDL-receptor class B 1 Extracellular 131 4.5 I423-V409 (PDBs: 1IJQ, 3M0C) I423-V409 (PAE: 1.0) I423-E408 (PDBs: 1IJQ, 3M0C), I423-V409 (PDBs: 1IJQ, 3M0C) I423-E408 (PAE: 1.5), I423-V409 (PAE: 1.0) 10.2000 0.3196 6.3673 3.5132 424 P Proline Special, No backbone hydrogen C (loop/coil) C (loop/coil) 37 -84.2 162.9 88.31 Low-density lipoprotein receptor LDL-receptor class B 1 Extracellular 115 -1.6 P424-Y465 (PDBs: 1IJQ, 3M0C) 7.0300 0.5462 2.9687 3.5132 425 N Asparagine Polar/Neutral C (loop/coil) C (loop/coil) 146 64.2 36.8 84.75 Low-density lipoprotein receptor LDL-receptor class B 1 Extracellular 132 -3.5 N425-H407 (PDBs: 1IJQ, 3M0C) N425-H407 (PAE: 2.0) 5.5900 -1.0776 3.1506 3.5132 426 L Leucine Aliphatic C (loop/coil) C (loop/coil) 13 -81.5 167.5 89.75 Low-density lipoprotein receptor LDL-receptor class B 1 Extracellular 131 3.8 L426-H407 (PDBs: 1IJQ, 3M0C) L426-H407 (PAE: 1.5) L426-D445 (PDBs: 1IJQ, 3M0C), L426-H407 (PDBs: 1IJQ, 3M0C) L426-H407 (PAE: 1.5) 9.3200 0.3196 5.4888 3.5132 427 R Arginine Positively-charged Beta strand C (loop/coil) S (bend) 140 -101.8 -58.2 88.62 Low-density lipoprotein receptor LDL-receptor class B 1 Extracellular 175 -4.5 R427-Q448 (PDBs: 1IJQ, 3M0C), R427-D445 (PDBs: 1IJQ, 3M0C), R427-S447 (PDBs: 1IJQ, 3M0C) R427-D445 (PAE: 2.5), R427-S447 (PAE: 3.0), R427-H407 (PAE: 2.0) R427-D445 (PDBs: 1IJQ, 3M0C), R427-R406 (PDBs: 1IJQ, 3M0C), R427-S447 (PDBs: 1IJQ, 3M0C), R427-H407 (PDBs: 1IJQ, 3M0C) R427-D445 (PAE: 2.5), R427-R406 (PAE: 2.0), R427-H407 (PAE: 2.0), R427-Q448 (PAE: 3.0), R427-S447 (PAE: 3.0) 8.4600 -1.0025 5.9517 3.5132 428 N Asparagine Polar/Neutral Beta strand C (loop/coil) S (bend) 48 -146.6 82.2 91.88 Low-density lipoprotein receptor LDL-receptor class B 1 Extracellular 132 -3.5 Pocket 2: Pocket prob: 0.32%, Mean pLDDT: 89.46 0.32 N428-L446 (PDBs: 1IJQ, 3M0C), N428-S447 (PDBs: 1IJQ), N428-D445 (PDBs: 1IJQ) N428-L446 (PAE: 2.0) N428-L446 (PDBs: 1IJQ, 3M0C), N428-R406 (PDBs: 1IJQ, 3M0C), N428-S447 (PDBs: 1IJQ, 3M0C), N428-D445 (PDBs: 1IJQ, 3M0C) N428-L446 (PAE: 2.0), N428-R406 (PAE: 2.0), N428-D445 (PAE: 2.0) 7.2300 -1.0776 4.7978 3.5132 429 V Valine Aliphatic Beta strand B (undefined) E (parallel sheets) 1 -87.9 125.7 94.0 Low-density lipoprotein receptor LDL-receptor class B 1 Extracellular 117 4.2 V429-R406 (PDBs: 1IJQ, 3M0C) V429-R406 (PAE: 2.0) V429-S444 (PDBs: 1IJQ, 3M0C), V429-R406 (PDBs: 1IJQ, 3M0C), V429-T404 (PDBs: 1IJQ, 3M0C), V429-E408 (PDBs: 1IJQ, 3M0C), V429-W443 (PDBs: 1IJQ, 3M0C) V429-S444 (PAE: 1.0), V429-R406 (PAE: 2.0), V429-T404 (PAE: 2.0), V429-E408 (PAE: 1.5), V429-W443 (PAE: 1.5) 10.2000 0.3196 6.3673 3.5132 430 V Valine Aliphatic Beta strand B (undefined) E (parallel sheets) 2 -114.5 -50.6 93.56 Low-density lipoprotein receptor LDL-receptor class B 1 Extracellular 117 4.2 Pocket 2: Pocket prob: 0.32%, Mean pLDDT: 89.46 0.32 V430-S444 (PDBs: 1IJQ, 3M0C) V430-S444 (PAE: 2.0), V430-T404 (PAE: 2.0) V430-S444 (PDBs: 1IJQ, 3M0C), V430-L446 (PDBs: 1IJQ, 3M0C), V430-E650 (PDBs: 1IJQ, 3M0C), V430-D651 (PDBs: 1IJQ, 3M0C) V430-T404 (PAE: 2.0), V430-P476 (PAE: 2.0), V430-S444 (PAE: 2.0), V430-L446 (PAE: 2.0), V430-E650 (PAE: 2.0), V430-D651 (PAE: 1.5) 10.2000 0.3196 6.3673 3.5132 431 A Alanine Aliphatic Beta strand B (undefined) E (parallel sheets) 0 -116.7 150.4 96.06 Low-density lipoprotein receptor LDL-receptor class B 1 Extracellular 89 1.8 A431-S444 (PDBs: 1IJQ, 3M0C) A431-S444 (PAE: 1.0) A431-W443 (PDBs: 1IJQ, 3M0C), A431-S444 (PDBs: 1IJQ, 3M0C), A431-D651 (PDBs: 1IJQ, 3M0C), A431-D477 (PDBs: 1IJQ, 3M0C) A431-D477 (PAE: 2.0), A431-W443 (PAE: 1.0), A431-L479 (PAE: 1.5), A431-S444 (PAE: 1.0), A431-D651 (PAE: 1.5), A431-G478 (PAE: 2.0) 10.5900 0.7136 6.3673 3.5132 432 L Leucine Aliphatic Beta strand B (undefined) E (parallel sheets) 1 -145.7 152.9 96.25 Low-density lipoprotein receptor LDL-receptor class B 1 Extracellular 131 3.8 Pocket 5: Mean pLDDT: 99.95, Volume: 686.83 ų, Druggability score: 0.04 0.0421 Pocket 1: Pocket prob: 0.69%, Mean pLDDT: 95.57 0.69 L432-D651 (PDBs: 1IJQ, 3M0C) L432-D651 (PAE: 2.0) L432-V653 (PDBs: 1IJQ, 3M0C), L432-I441 (PDBs: 1IJQ, 3M0C), L432-D651 (PDBs: 1IJQ, 3M0C), L432-M652 (PDBs: 1IJQ), L432-Y442 (PDBs: 1IJQ, 3M0C) L432-V653 (PAE: 1.5), L432-F403 (PAE: 1.5), L432-D651 (PAE: 2.0), L432-T404 (PAE: 1.5), L432-Y442 (PAE: 1.0) 10.2000 0.3196 6.3673 3.5132 433 D Aspartic Acid Negatively-charged Beta strand B (undefined) E (parallel sheets) 24 -152.6 165.3 97.5 Low-density lipoprotein receptor LDL-receptor class B 1 Extracellular 132 -3.5 Pocket 5: Mean pLDDT: 99.95, Volume: 686.83 ų, Druggability score: 0.04 0.0421 Pocket 1: Pocket prob: 0.69%, Mean pLDDT: 95.57 0.69 D433-V481 (PDBs: 1IJQ, 3M0C), D433-Y442 (PDBs: 1IJQ, 3M0C) D433-V481 (PAE: 1.0), D433-Y442 (PAE: 1.0) D433-A480 (PDBs: 1IJQ, 3M0C), D433-Y442 (PDBs: 1IJQ, 3M0C), D433-V653 (PDBs: 1IJQ, 3M0C), D433-I441 (PDBs: 1IJQ, 3M0C), D433-V481 (PDBs: 1IJQ, 3M0C) D433-V481 (PAE: 1.0), D433-A480 (PAE: 1.0), D433-I441 (PAE: 1.0), D433-Y442 (PAE: 1.0) 10.0500 0.8622 5.6763 3.5132 434 T Threonine Polar/Neutral Beta strand B (undefined) E (parallel sheets) 2 -131.5 154.1 96.12 Low-density lipoprotein receptor LDL-receptor class B 1 Extracellular 119 -0.7 Pocket 5: Mean pLDDT: 99.95, Volume: 686.83 ų, Druggability score: 0.04 0.0421 Pocket 1: Pocket prob: 0.69%, Mean pLDDT: 95.57 0.69 T434-Q660 (PDBs: 1IJQ, 3M0C) T434-Q660 (PAE: 1.5) T434-R440 (PDBs: 1IJQ, 3M0C), T434-F655 (PDBs: 1IJQ, 3M0C) T434-R440 (PAE: 1.0), T434-F655 (PAE: 2.0), T434-I441 (PAE: 1.0) 6.3600 -1.6869 4.5382 3.5132 435 E Glutamic Acid Negatively-charged Beta strand B (undefined) E (parallel sheets) 14 -112.8 102.6 95.25 Low-density lipoprotein receptor LDL-receptor class B 1 Extracellular 146 -3.5 E435-N439 (PDBs: 1IJQ, 3M0C), E435-R440 (PDBs: 1IJQ, 3M0C), E435-Y442 (PDBs: 1IJQ, 3M0C) E435-R440 (PAE: 1.0) E435-N439 (PDBs: 1IJQ, 3M0C), E435-V481 (PDBs: 1IJQ, 3M0C), E435-R440 (PDBs: 1IJQ, 3M0C) E435-N439 (PAE: 1.0), E435-R440 (PAE: 1.0) E435-R440 (PDBs: 1IJQ, 3M0C) 9.4200 -0.4423 6.3463 3.5132 436 V Valine Aliphatic Turn C (loop/coil) T (turn) 9 -66.3 -45.1 93.0 Low-density lipoprotein receptor LDL-receptor class B 1 Extracellular 117 4.2 V436-Q660 (PDBs: 1IJQ, 3M0C) V436-Q660 (PAE: 2.0) V436-N657 (PDBs: 1IJQ, 3M0C), V436-Q660 (PDBs: 1IJQ, 3M0C), V436-F655 (PDBs: 1IJQ, 3M0C), V436-H656 (PDBs: 1IJQ, 3M0C) V436-N657 (PAE: 2.0), V436-Q660 (PAE: 2.0), V436-H656 (PAE: 1.5), V436-F655 (PAE: 1.5) 8.9000 0.3196 5.0713 3.5132 437 A Alanine Aliphatic Turn C (loop/coil) T (turn) 91 -63.7 -34.3 89.06 Low-density lipoprotein receptor LDL-receptor class B 1 Extracellular 89 1.8 3.4900 0.7136 -0.7340 3.5132 438 S Serine Polar/Neutral Turn C (loop/coil) T (turn) 53 -93.7 0.6 90.38 Low-density lipoprotein receptor LDL-receptor class B 1 Extracellular 105 -0.8 S438-Q455 (PDBs: 1IJQ, 3M0C) S438-Q455 (PAE: 2.0) 4.7200 -1.0776 2.2887 3.5132 439 N Asparagine Polar/Neutral Turn C (loop/coil) T (turn) 43 50.0 43.3 91.75 Low-density lipoprotein receptor LDL-receptor class B 2 Extracellular 132 -3.5 N439-L456 (PDBs: 1IJQ, 3M0C), N439-E435 (PDBs: 1IJQ, 3M0C) N439-L456 (PAE: 2.0) N439-E435 (PDBs: 1IJQ, 3M0C), N439-L456 (PDBs: 1IJQ, 3M0C), N439-Q455 (PDBs: 1IJQ, 3M0C) N439-Q455 (PAE: 2.0), N439-L456 (PAE: 2.0), N439-D457 (PAE: 3.5), N439-E435 (PAE: 1.0) 7.5100 -1.0776 5.0713 3.5132 440 R Arginine Positively-charged Beta strand B (undefined) E (parallel sheets) 55 -120.7 144.4 93.38 Low-density lipoprotein receptor LDL-receptor class B 2 Extracellular 175 -4.5 R440-Q455 (PDBs: 1IJQ, 3M0C), R440-E435 (PDBs: 1IJQ, 3M0C) R440-S453 (PAE: 1.5), R440-D466 (PAE: 2.5), R440-E435 (PAE: 1.0) R440-Q455 (PDBs: 1IJQ, 3M0C), R440-T454 (PDBs: 1IJQ, 3M0C), R440-T434 (PDBs: 1IJQ, 3M0C), R440-E435 (PDBs: 1IJQ, 3M0C) R440-Q455 (PAE: 1.5), R440-T454 (PAE: 1.0), R440-E435 (PAE: 1.0), R440-S453 (PAE: 1.5), R440-T434 (PAE: 1.0) R440-E435 (PDBs: 1IJQ, 3M0C) R440-D466 (PAE: 2.5) 8.8600 -1.0025 6.3463 3.5132 441 I Isoleucine Aliphatic Beta strand B (undefined) E (parallel sheets) 0 -123.0 143.1 94.88 Low-density lipoprotein receptor LDL-receptor class B 2 Extracellular 131 4.5 I441-T454 (PDBs: 1IJQ, 3M0C) I441-T454 (PAE: 1.0) I441-S453 (PDBs: 1IJQ, 3M0C), I441-L432 (PDBs: 1IJQ, 3M0C), I441-T454 (PDBs: 1IJQ, 3M0C), I441-D433 (PDBs: 1IJQ, 3M0C) I441-T434 (PAE: 1.0), I441-T454 (PAE: 1.0), I441-L456 (PAE: 2.5), I441-S453 (PAE: 1.5), I441-D433 (PAE: 1.0) 10.2000 0.3196 6.3673 3.5132 442 Y Tyrosine Aromatic Beta strand B (undefined) E (parallel sheets) 3 -121.4 142.3 96.0 Low-density lipoprotein receptor LDL-receptor class B 2 Extracellular 181 -1.3 Y442-D433 (PDBs: 1IJQ, 3M0C), Y442-E435 (PDBs: 1IJQ, 3M0C) Y442-D433 (PAE: 1.0) Y442-C452 (PDBs: 1IJQ, 3M0C), Y442-D433 (PDBs: 1IJQ, 3M0C), Y442-S453 (PDBs: 1IJQ, 3M0C), Y442-L432 (PDBs: 1IJQ, 3M0C) Y442-C452 (PAE: 1.0), Y442-D433 (PAE: 1.0), Y442-S453 (PAE: 1.0), Y442-L432 (PAE: 1.0) 11.2800 1.3991 6.3673 3.5132 443 W Tryptophan Aromatic Beta strand B (undefined) E (parallel sheets) 0 -149.2 155.5 95.75 Low-density lipoprotein receptor LDL-receptor class B 2 Extracellular 204 -0.9 W443-C452 (PDBs: 1IJQ, 3M0C) W443-C452 (PAE: 1.0) W443-A431 (PDBs: 1IJQ, 3M0C), W443-S453 (PDBs: 1IJQ, 3M0C), W443-I451 (PDBs: 1IJQ, 3M0C), W443-V429 (PDBs: 1IJQ, 3M0C), W443-C452 (PDBs: 1IJQ, 3M0C), W443-L479 (PDBs: 1IJQ, 3M0C) W443-A431 (PAE: 1.0), W443-S453 (PAE: 1.5), W443-I451 (PAE: 1.0), W443-V429 (PAE: 1.5), W443-C452 (PAE: 1.0), W443-L479 (PAE: 1.0) 11.2800 1.3991 6.3673 3.5132 444 S Serine Polar/Neutral Beta strand B (undefined) E (parallel sheets) 0 -100.1 131.1 95.38 Low-density lipoprotein receptor LDL-receptor class B 2 Extracellular 105 -0.8 S444-A431 (PDBs: 1IJQ, 3M0C), S444-P476 (PDBs: 1IJQ, 3M0C), S444-V430 (PDBs: 1IJQ, 3M0C) S444-A431 (PAE: 1.0), S444-P476 (PAE: 2.0), S444-V430 (PAE: 2.0) S444-A431 (PDBs: 1IJQ, 3M0C), S444-V429 (PDBs: 1IJQ, 3M0C), S444-M450 (PDBs: 1IJQ, 3M0C), S444-V430 (PDBs: 1IJQ, 3M0C), S444-P476 (PDBs: 1IJQ, 3M0C), S444-L479 (PDBs: 1IJQ, 3M0C) S444-A431 (PAE: 1.0), S444-V429 (PAE: 1.0), S444-M450 (PAE: 1.0), S444-V430 (PAE: 2.0), S444-P476 (PAE: 2.0), S444-L479 (PAE: 2.0) 8.8000 -1.0776 6.3673 3.5132 445 D Aspartic Acid Negatively-charged Beta strand B (undefined) E (parallel sheets) 1 -111.8 110.5 92.25 Low-density lipoprotein receptor LDL-receptor class B 2 Extracellular 132 -3.5 D445-R449 (PDBs: 1IJQ), D445-M450 (PDBs: 1IJQ, 3M0C), D445-R427 (PDBs: 1IJQ, 3M0C), D445-N428 (PDBs: 1IJQ) D445-R449 (PAE: 1.0), D445-M450 (PAE: 1.0), D445-R427 (PAE: 2.5) D445-R449 (PDBs: 1IJQ, 3M0C), D445-R427 (PDBs: 1IJQ, 3M0C), D445-N428 (PDBs: 1IJQ, 3M0C), D445-L426 (PDBs: 1IJQ, 3M0C), D445-M450 (PDBs: 1IJQ, 3M0C) D445-R449 (PAE: 1.0), D445-M450 (PAE: 1.0), D445-R427 (PAE: 2.5), D445-N428 (PAE: 2.0) 10.7400 0.8622 6.3673 3.5132 446 L Leucine Aliphatic Turn C (loop/coil) T (turn) 43 -69.4 -31.0 90.25 Low-density lipoprotein receptor LDL-receptor class B 2 Extracellular 131 3.8 Pocket 2: Pocket prob: 0.32%, Mean pLDDT: 89.46 0.32 L446-N428 (PDBs: 1IJQ, 3M0C) L446-N428 (PAE: 2.0) L446-V430 (PDBs: 1IJQ, 3M0C), L446-N428 (PDBs: 1IJQ, 3M0C) L446-V430 (PAE: 2.0), L446-A475 (PAE: 2.0), L446-N428 (PAE: 2.0), L446-P476 (PAE: 2.0) 9.1800 0.3196 5.3487 3.5132 447 S Serine Polar/Neutral Turn C (loop/coil) T (turn) 62 -67.8 -32.4 88.38 Low-density lipoprotein receptor LDL-receptor class B 2 Extracellular 105 -0.8 S447-R427 (PDBs: 1IJQ, 3M0C), S447-N428 (PDBs: 1IJQ) S447-R427 (PAE: 3.0) S447-R427 (PDBs: 1IJQ, 3M0C), S447-N428 (PDBs: 1IJQ, 3M0C) S447-R427 (PAE: 3.0) 7.7800 -1.0776 5.3487 3.5132 448 Q Glutamine Polar/Neutral Turn C (loop/coil) T (turn) 69 -91.5 -17.7 86.94 Low-density lipoprotein receptor LDL-receptor class B 2 Extracellular 146 -3.5 Q448-R427 (PDBs: 1IJQ, 3M0C) Q448-R427 (PAE: 3.0) 6.4300 -1.4758 4.3952 3.5132 449 R Arginine Positively-charged Turn C (loop/coil) T (turn) 121 50.6 54.2 91.12 Low-density lipoprotein receptor LDL-receptor class B 2 Extracellular 175 -4.5 R449-D445 (PDBs: 1IJQ), R449-I473 (PDBs: 1IJQ, 3M0C) R449-D445 (PAE: 1.0) R449-D445 (PDBs: 1IJQ, 3M0C), R449-Q474 (PDBs: 1IJQ, 3M0C), R449-I473 (PDBs: 1IJQ, 3M0C) R449-D445 (PAE: 1.0), R449-Q474 (PAE: 2.0), R449-I473 (PAE: 3.0) 6.9100 -1.0025 4.3952 3.5132 450 M Methionine Aliphatic Beta strand B (undefined) E (parallel sheets) 34 -140.9 153.0 92.94 Low-density lipoprotein receptor LDL-receptor class B 2 Extracellular 149 1.9 M450-D445 (PDBs: 1IJQ, 3M0C) M450-D445 (PAE: 1.0) M450-S444 (PDBs: 1IJQ, 3M0C), M450-T467 (PDBs: 1IJQ, 3M0C), M450-I473 (PDBs: 1IJQ), M450-I469 (PDBs: 1IJQ, 3M0C), M450-D445 (PDBs: 1IJQ, 3M0C), M450-S470 (PDBs: 1IJQ, 3M0C) M450-S444 (PAE: 1.0), M450-T467 (PAE: 2.0), M450-I469 (PAE: 2.0), M450-D445 (PAE: 1.0), M450-S470 (PAE: 2.0) 9.5100 0.3196 5.6763 3.5132 451 I Isoleucine Aliphatic Beta strand B (undefined) E (parallel sheets) 0 -102.4 125.6 95.31 Low-density lipoprotein receptor LDL-receptor class B 2 Extracellular 131 4.5 I451-I469 (PDBs: 1IJQ, 3M0C), I451-V468 (PDBs: 1IJQ, 3M0C) I451-I469 (PAE: 1.0), I451-V468 (PAE: 1.0) I451-I469 (PDBs: 1IJQ, 3M0C), I451-T467 (PDBs: 1IJQ, 3M0C), I451-W443 (PDBs: 1IJQ, 3M0C), I451-V468 (PDBs: 1IJQ, 3M0C) I451-I469 (PAE: 1.0), I451-T467 (PAE: 1.0), I451-W443 (PAE: 1.0), I451-V468 (PAE: 1.0) 10.2000 0.3196 6.3673 3.5132 452 C Cysteine Special, a very reactive sulfhydryl group Beta strand B (undefined) E (parallel sheets) 4 -115.3 159.1 93.94 Low-density lipoprotein receptor LDL-receptor class B 2 Extracellular 121 2.5 C452-W443 (PDBs: 1IJQ, 3M0C) C452-W443 (PAE: 1.0) C452-Y442 (PDBs: 1IJQ, 3M0C), C452-W443 (PDBs: 1IJQ, 3M0C), C452-D466 (PDBs: 1IJQ, 3M0C) C452-Y442 (PAE: 1.0), C452-W443 (PAE: 1.0), C452-D466 (PAE: 2.0) 12.4900 2.6074 6.3673 3.5132 453 S Serine Polar/Neutral Beta strand B (undefined) E (parallel sheets) 3 -140.8 156.4 93.88 Low-density lipoprotein receptor LDL-receptor class B 2 Extracellular 105 -0.8 S453-D466 (PDBs: 1IJQ, 3M0C) S453-D466 (PAE: 2.0), S453-R440 (PAE: 1.5) S453-Y442 (PDBs: 1IJQ, 3M0C), S453-D466 (PDBs: 1IJQ, 3M0C), S453-W443 (PDBs: 1IJQ, 3M0C), S453-I441 (PDBs: 1IJQ, 3M0C), S453-V468 (PDBs: 1IJQ, 3M0C), S453-Y465 (PDBs: 1IJQ, 3M0C) S453-R440 (PAE: 1.5), S453-Y442 (PAE: 1.0), S453-D466 (PAE: 2.0), S453-W443 (PAE: 1.5), S453-I441 (PAE: 1.5), S453-V468 (PAE: 2.0) 8.8000 -1.0776 6.3673 3.5132 454 T Threonine Polar/Neutral Beta strand B (undefined) E (parallel sheets) 7 -150.7 153.9 92.44 Low-density lipoprotein receptor LDL-receptor class B 2 Extracellular 119 -0.7 T454-I441 (PDBs: 1IJQ, 3M0C) T454-I441 (PAE: 1.0) T454-I441 (PDBs: 1IJQ, 3M0C), T454-R440 (PDBs: 1IJQ, 3M0C), T454-Y465 (PDBs: 1IJQ, 3M0C) T454-I441 (PAE: 1.0), T454-R440 (PAE: 1.0) 8.1900 -1.6869 6.3673 3.5132 455 Q Glutamine Polar/Neutral Beta strand B (undefined) E (parallel sheets) 44 -75.6 126.9 90.94 Low-density lipoprotein receptor LDL-receptor class B 2 Extracellular 146 -3.5 Q455-R440 (PDBs: 1IJQ, 3M0C), Q455-S438 (PDBs: 1IJQ, 3M0C) Q455-S438 (PAE: 2.0) Q455-R440 (PDBs: 1IJQ, 3M0C), Q455-N439 (PDBs: 1IJQ, 3M0C) Q455-R440 (PAE: 1.5), Q455-N439 (PAE: 2.0), Q455-A459 (PAE: 6.5) 7.7100 -1.4758 5.6763 3.5132 456 L Leucine Aliphatic H (helix) G (3₁₀-helix) 18 -58.1 -35.0 85.62 Low-density lipoprotein receptor LDL-receptor class B 2 Extracellular 131 3.8 L456-N439 (PDBs: 1IJQ, 3M0C) L456-N439 (PAE: 2.0) L456-N439 (PDBs: 1IJQ, 3M0C) L456-N439 (PAE: 2.0), L456-I441 (PAE: 2.5) 9.7500 0.3196 5.9199 3.5132 457 D Aspartic Acid Negatively-charged H (helix) G (3₁₀-helix) 128 -63.2 -21.3 80.31 Low-density lipoprotein receptor LDL-receptor class B 2 Extracellular 132 -3.5 D457-N439 (PAE: 3.5) 6.6000 0.8622 2.2211 3.5132 458 R Arginine Positively-charged H (helix) G (3₁₀-helix) 175 -106.5 2.4 75.19 Low-density lipoprotein receptor LDL-receptor class B 2 Extracellular 175 -4.5 R458-V462 (PAE: 9.0) 4.7300 -1.0025 2.2211 3.5132 459 A Alanine Aliphatic C (loop/coil) S (bend) 1 -60.2 -32.6 68.56 Low-density lipoprotein receptor LDL-receptor class B 2 Extracellular 89 1.8 A459-Q455 (PAE: 6.5), A459-L422 (PAE: 8.5) 9.2700 0.7136 5.0407 3.5132 460 H Histidine Positively-charged C (loop/coil) T (turn) 128 -88.2 104.9 61.97 Low-density lipoprotein receptor LDL-receptor class B 2 Extracellular 155 -3.2 5.9100 -1.0025 3.3962 3.5132 461 G Glycine Special, lack of a chiral carbon, smallest amino acid, very flexible C (loop/coil) T (turn) 85 107.6 13.4 60.22 Low-density lipoprotein receptor LDL-receptor class B 2 Extracellular 75 -0.4 4.0200 1.8506 -1.3420 3.5132 462 V Valine Aliphatic C (loop/coil) C (loop/coil) 50 -92.1 131.0 65.06 Low-density lipoprotein receptor LDL-receptor class B 2 Extracellular 117 4.2 V462-R458 (PAE: 9.0) 5.0500 0.3196 1.2161 3.5132 463 S Serine Polar/Neutral C (loop/coil) S (bend) 130 -80.4 -14.2 61.06 Low-density lipoprotein receptor LDL-receptor class B 2 Extracellular 105 -0.8 0.1100 -1.0776 -2.3246 3.5132 464 S Serine Polar/Neutral C (loop/coil) C (loop/coil) 86 -148.5 118.6 69.38 Low-density lipoprotein receptor LDL-receptor class B 2 Extracellular 105 -0.8 2.6000 -1.0776 0.1676 3.5132 465 Y Tyrosine Aromatic H (helix) P (polyproline helix) 61 -82.7 157.9 84.81 Low-density lipoprotein receptor LDL-receptor class B 2 Extracellular 181 -1.3 Morphology: RAHGVSSyDTVIsRD; Domain: Ldl_recept_b Y465-P424 (PDBs: 1IJQ, 3M0C) Y465-S453 (PDBs: 1IJQ, 3M0C), Y465-T454 (PDBs: 1IJQ, 3M0C) 7.8800 1.3991 2.9687 3.5132 466 D Aspartic Acid Negatively-charged Beta strand B (undefined) E (parallel sheets) 86 -77.1 117.7 89.69 Low-density lipoprotein receptor LDL-receptor class B 2 Extracellular 132 -3.5 D466-S453 (PDBs: 1IJQ, 3M0C) D466-S453 (PAE: 2.0), D466-R440 (PAE: 2.5) D466-C452 (PDBs: 1IJQ, 3M0C), D466-S453 (PDBs: 1IJQ, 3M0C) D466-C452 (PAE: 2.0), D466-S453 (PAE: 2.0) D466-R440 (PAE: 2.5) 9.7700 0.8622 5.3929 3.5132 467 T Threonine Polar/Neutral Beta strand B (undefined) E (parallel sheets) 74 -78.9 123.2 92.06 Low-density lipoprotein receptor LDL-receptor class B 2 Extracellular 119 -0.7 T467-M450 (PDBs: 1IJQ, 3M0C), T467-I451 (PDBs: 1IJQ, 3M0C) T467-M450 (PAE: 2.0), T467-I451 (PAE: 1.0) 4.7000 -1.6869 2.8752 3.5132 468 V Valine Aliphatic Beta strand B (undefined) E (parallel sheets) 12 -92.0 -56.9 93.69 Low-density lipoprotein receptor LDL-receptor class B 2 Extracellular 117 4.2 dbSNP: rs5932; Variant type: LB/B; AA change: Val468Ile; PTM type: Phosphorylation; PTM morphology: HGVSSyDTV*Is; Var class: II&rs5932 V468-I451 (PDBs: 1IJQ, 3M0C) V468-I451 (PAE: 1.0) V468-G505 (PDBs: 1IJQ, 3M0C), V468-S453 (PDBs: 1IJQ, 3M0C), V468-I451 (PDBs: 1IJQ, 3M0C), V468-T503 (PDBs: 1IJQ, 3M0C) V468-G505 (PAE: 2.0), V468-I451 (PAE: 1.0), V468-S453 (PAE: 2.0) 9.5100 0.3196 5.6763 3.5132 469 I Isoleucine Aliphatic Beta strand B (undefined) E (parallel sheets) 9 -128.4 130.8 95.0 Low-density lipoprotein receptor LDL-receptor class B 2 Extracellular 131 4.5 I469-I451 (PDBs: 1IJQ, 3M0C) I469-I451 (PAE: 1.0) I469-I451 (PDBs: 1IJQ, 3M0C), I469-M450 (PDBs: 1IJQ, 3M0C) I469-I451 (PAE: 1.0), I469-M450 (PAE: 2.0) 10.2000 0.3196 6.3673 3.5132 470 S Serine Polar/Neutral C (loop/coil) C (loop/coil) 79 -131.7 3.0 91.12 Low-density lipoprotein receptor LDL-receptor class B 2 Extracellular 105 -0.8 Morphology: SSyDTVIsRDIQAPD; Domain: Ldl_recept_b S470-M450 (PDBs: 1IJQ, 3M0C) S470-M450 (PAE: 2.0) 2.3300 -1.0776 -0.1098 3.5132 471 R Arginine Positively-charged C (loop/coil) S (bend) 172 -132.2 155.6 90.0 Low-density lipoprotein receptor LDL-receptor class B 2 Extracellular 175 -4.5 dbSNP: rs879254891; Variant type: US; AA change: Arg471Gly; PTM type: Phosphorylation; PTM morphology: yDTVIsR*DIQA; Var class: II R471-R508 (PDBs: 1IJQ, 3M0C) R471-R508 (PAE: 2.5) 4.5000 -1.0025 1.9940 3.5132 472 D Aspartic Acid Negatively-charged C (loop/coil) S (bend) 107 51.8 49.8 87.0 Low-density lipoprotein receptor LDL-receptor class B 2 Extracellular 132 -3.5 D472-R508 (PDBs: 1IJQ, 3M0C) D472-R508 (PAE: 4.0) 7.0400 0.8622 2.6640 3.5132 473 I Isoleucine Aliphatic C (loop/coil) C (loop/coil) 8 -142.1 136.5 89.25 Low-density lipoprotein receptor LDL-receptor class B 2 Extracellular 131 4.5 I473-R449 (PDBs: 1IJQ, 3M0C) I473-M450 (PDBs: 1IJQ), I473-D492 (PDBs: 1IJQ, 3M0C), I473-R449 (PDBs: 1IJQ, 3M0C) I473-D492 (PAE: 2.0), I473-R449 (PAE: 3.0) 7.2200 0.3196 3.3823 3.5132 474 Q Glutamine Polar/Neutral C (loop/coil) S (bend) 72 -119.6 -68.1 90.5 Low-density lipoprotein receptor LDL-receptor class B 2 Extracellular 146 -3.5 Q474-D492 (PDBs: 1IJQ, 3M0C) Q474-D492 (PAE: 2.0) Q474-R449 (PDBs: 1IJQ, 3M0C), Q474-L495 (PDBs: 1IJQ, 3M0C), Q474-D492 (PDBs: 1IJQ, 3M0C), Q474-V494 (PDBs: 1IJQ, 3M0C) Q474-R449 (PAE: 2.0), Q474-L495 (PAE: 2.0), Q474-D492 (PAE: 2.0), Q474-V494 (PAE: 2.0) 5.2100 -1.4758 3.1691 3.5132 475 A Alanine Aliphatic C (loop/coil) C (loop/coil) 14 -135.2 82.0 91.12 Low-density lipoprotein receptor LDL-receptor class B 2 Extracellular 89 1.8 Pocket 2: Pocket prob: 0.32%, Mean pLDDT: 89.46 0.32 A475-D492 (PDBs: 1IJQ, 3M0C), A475-S493 (PDBs: 1IJQ, 3M0C) A475-S493 (PAE: 2.0) A475-D492 (PDBs: 1IJQ, 3M0C), A475-S493 (PDBs: 1IJQ, 3M0C) A475-V494 (PAE: 2.0), A475-D492 (PAE: 1.0), A475-L446 (PAE: 2.0), A475-S493 (PAE: 2.0) 8.7500 0.7136 4.5204 3.5132 476 P Proline Special, No backbone hydrogen C (loop/coil) C (loop/coil) 0 -75.5 85.1 94.0 Low-density lipoprotein receptor LDL-receptor class B 2 Extracellular 115 -1.6 P476-S444 (PDBs: 1IJQ, 3M0C) P476-S444 (PAE: 2.0) P476-T491 (PDBs: 1IJQ, 3M0C), P476-S444 (PDBs: 1IJQ, 3M0C), P476-W490 (PDBs: 1IJQ, 3M0C) P476-T491 (PAE: 2.0), P476-S444 (PAE: 2.0), P476-L446 (PAE: 2.0), P476-V430 (PAE: 2.0) 7.4400 0.5462 3.3823 3.5132 477 D Aspartic Acid Negatively-charged C (loop/coil) C (loop/coil) 29 -83.8 -10.6 93.0 Low-density lipoprotein receptor LDL-receptor class B 2 Extracellular 132 -3.5 Pocket 4: Mean pLDDT: 85.58, Volume: 477.18 ų, Druggability score: 0.05 0.0541 Pocket 2: Pocket prob: 0.32%, Mean pLDDT: 89.46 0.32 D477-S493 (PDBs: 1IJQ, 3M0C), D477-R520 (PDBs: 1IJQ, 3M0C) D477-S493 (PAE: 2.5) D477-A431 (PDBs: 1IJQ, 3M0C), D477-S493 (PDBs: 1IJQ, 3M0C), D477-T491 (PDBs: 1IJQ, 3M0C), D477-R520 (PDBs: 1IJQ, 3M0C) D477-R520 (PAE: 2.5), D477-A431 (PAE: 2.0), D477-T491 (PAE: 2.0), D477-S493 (PAE: 2.5) D477-R520 (PDBs: 1IJQ, 3M0C) 9.5700 0.8622 5.1904 3.5132 478 G Glycine Special, lack of a chiral carbon, smallest amino acid, very flexible Beta strand B (undefined) E (parallel sheets) 2 -149.9 141.7 95.56 Low-density lipoprotein receptor LDL-receptor class B 2 Extracellular 75 -0.4 Pocket 5: Mean pLDDT: 99.95, Volume: 686.83 ų, Druggability score: 0.04 0.0421 G478-T491 (PDBs: 1IJQ, 3M0C) G478-T491 (PAE: 1.0) G478-T491 (PDBs: 1IJQ, 3M0C), G478-I522 (PDBs: 1IJQ, 3M0C), G478-R520 (PDBs: 1IJQ, 3M0C), G478-W490 (PDBs: 1IJQ, 3M0C) G478-T491 (PAE: 1.0), G478-I522 (PAE: 1.0), G478-R520 (PAE: 2.0), G478-A431 (PAE: 2.0), G478-W490 (PAE: 1.0) 11.7300 1.8506 6.3673 3.5132 479 L Leucine Aliphatic Beta strand B (undefined) E (parallel sheets) 8 -127.4 144.4 97.38 Low-density lipoprotein receptor LDL-receptor class B 2 Extracellular 131 3.8 Pocket 5: Mean pLDDT: 99.95, Volume: 686.83 ų, Druggability score: 0.04 0.0421 Pocket 1: Pocket prob: 0.69%, Mean pLDDT: 95.57 0.69 L479-W443 (PDBs: 1IJQ, 3M0C), L479-I488 (PDBs: 1IJQ), L479-Y489 (PDBs: 1IJQ, 3M0C), L479-W490 (PDBs: 1IJQ, 3M0C), L479-S444 (PDBs: 1IJQ, 3M0C), L479-I522 (PDBs: 1IJQ, 3M0C) L479-W443 (PAE: 1.0), L479-Y489 (PAE: 1.0), L479-A431 (PAE: 1.5), L479-W490 (PAE: 1.0), L479-S444 (PAE: 2.0), L479-I522 (PAE: 1.0) 6.5200 0.3196 2.6906 3.5132 480 A Alanine Aliphatic Beta strand B (undefined) E (parallel sheets) 2 -145.3 130.3 97.81 Low-density lipoprotein receptor LDL-receptor class B 2 Extracellular 89 1.8 Pocket 5: Mean pLDDT: 99.95, Volume: 686.83 ų, Druggability score: 0.04 0.0421 A480-Y489 (PDBs: 1IJQ, 3M0C) A480-Y489 (PAE: 1.0) A480-I522 (PDBs: 1IJQ, 3M0C), A480-I488 (PDBs: 1IJQ, 3M0C), A480-Y489 (PDBs: 1IJQ, 3M0C), A480-D433 (PDBs: 1IJQ, 3M0C), A480-V523 (PDBs: 1IJQ, 3M0C), A480-V524 (PDBs: 1IJQ, 3M0C) A480-I522 (PAE: 1.0), A480-I488 (PAE: 1.0), A480-Y489 (PAE: 1.0), A480-D433 (PAE: 1.0), A480-V524 (PAE: 1.0) 10.5900 0.7136 6.3673 3.5132 481 V Valine Aliphatic Beta strand B (undefined) E (parallel sheets) 0 -104.5 124.9 97.38 Low-density lipoprotein receptor LDL-receptor class B 2 Extracellular 117 4.2 Pocket 5: Mean pLDDT: 99.95, Volume: 686.83 ų, Druggability score: 0.04 0.0421 V481-D433 (PDBs: 1IJQ, 3M0C) V481-D433 (PAE: 1.0) V481-D433 (PDBs: 1IJQ, 3M0C), V481-I488 (PDBs: 1IJQ, 3M0C), V481-N487 (PDBs: 1IJQ, 3M0C), V481-V524 (PDBs: 1IJQ, 3M0C), V481-E435 (PDBs: 1IJQ, 3M0C) V481-D433 (PAE: 1.0), V481-N487 (PAE: 1.0), V481-V524 (PAE: 1.0) 10.2000 0.3196 6.3673 3.5132 482 D Aspartic Acid Negatively-charged Beta strand B (undefined) E (parallel sheets) 0 -83.7 96.5 96.56 Low-density lipoprotein receptor LDL-receptor class B 2 Extracellular 132 -3.5 D482-S486 (PDBs: 1IJQ, 3M0C), D482-N487 (PDBs: 1IJQ, 3M0C) D482-S486 (PAE: 1.0), D482-N487 (PAE: 1.0) D482-P526 (PDBs: 1IJQ, 3M0C), D482-S486 (PDBs: 1IJQ, 3M0C), D482-N487 (PDBs: 1IJQ, 3M0C) D482-P526 (PAE: 1.5), D482-S486 (PAE: 1.0), D482-N487 (PAE: 1.0) 10.7400 0.8622 6.3673 3.5132 483 W Tryptophan Aromatic Turn C (loop/coil) T (turn) 36 -70.4 -12.9 95.19 Low-density lipoprotein receptor LDL-receptor class B 2 Extracellular 204 -0.9 Pocket 5: Mean pLDDT: 99.95, Volume: 686.83 ų, Druggability score: 0.04 0.0421 Pocket 1: Pocket prob: 0.69%, Mean pLDDT: 95.57 0.69 W483-P661 (PDBs: 1IJQ, 3M0C) W483-P661 (PAE: 2.0) W483-Q660 (PDBs: 1IJQ, 3M0C), W483-P526 (PDBs: 1IJQ, 3M0C) W483-Q660 (PAE: 1.5), W483-P526 (PAE: 1.5) 9.9800 1.3991 5.0713 3.5132 484 I Isoleucine Aliphatic Turn C (loop/coil) T (turn) 18 -87.6 -44.3 94.44 Low-density lipoprotein receptor LDL-receptor class B 2 Extracellular 131 4.5 I484-N665 (PDBs: 3M0C) I484-N665 (PAE: 2.0) I484-N665 (PDBs: 1IJQ, 3M0C), I484-V664 (PDBs: 1IJQ, 3M0C), I484-G663 (PDBs: 1IJQ, 3M0C), I484-P526 (PDBs: 1IJQ) I484-N665 (PAE: 2.0), I484-V664 (PAE: 2.0), I484-G663 (PAE: 2.0), I484-P526 (PAE: 2.0) 8.9000 0.3196 5.0713 3.5132 485 H Histidine Positively-charged Turn C (loop/coil) T (turn) 16 -100.9 -2.8 93.19 Low-density lipoprotein receptor LDL-receptor class B 2 Extracellular 155 -3.2 H485-W666 (PDBs: 1IJQ), H485-C667 (PDBs: 3M0C) H485-N665 (PDBs: 1IJQ, 3M0C), H485-W666 (PDBs: 1IJQ), H485-P526 (PDBs: 1IJQ, 3M0C), H485-C667 (PDBs: 3M0C) H485-N665 (PAE: 2.0), H485-P526 (PAE: 1.5), H485-P683 (PAE: 2.0) 7.5800 -1.0025 5.0713 3.5132 486 S Serine Polar/Neutral Turn C (loop/coil) T (turn) 50 57.0 48.5 94.0 Low-density lipoprotein receptor LDL-receptor class B 3 Extracellular 105 -0.8 S486-D482 (PDBs: 1IJQ, 3M0C), S486-T503 (PDBs: 1IJQ, 3M0C) S486-D482 (PAE: 1.0), S486-T503 (PAE: 2.0) S486-D482 (PDBs: 1IJQ, 3M0C), S486-T503 (PDBs: 1IJQ, 3M0C), S486-D502 (PDBs: 1IJQ, 3M0C) S486-D482 (PAE: 1.0), S486-T503 (PAE: 2.0), S486-D502 (PAE: 2.0) 6.5500 -1.0776 4.1178 3.5132 487 N Asparagine Polar/Neutral Beta strand B (undefined) E (parallel sheets) 8 -116.7 152.0 95.94 Low-density lipoprotein receptor LDL-receptor class B 3 Extracellular 132 -3.5 N487-D482 (PDBs: 1IJQ, 3M0C) N487-D482 (PAE: 1.0) N487-T503 (PDBs: 1IJQ, 3M0C), N487-A501 (PDBs: 1IJQ, 3M0C), N487-V500 (PDBs: 1IJQ, 3M0C), N487-D502 (PDBs: 1IJQ, 3M0C), N487-V481 (PDBs: 1IJQ, 3M0C), N487-D482 (PDBs: 1IJQ, 3M0C) N487-T503 (PAE: 1.0), N487-D482 (PAE: 1.0), N487-A501 (PAE: 1.0), N487-V481 (PAE: 1.0), N487-D502 (PAE: 1.0) 8.8000 -1.0776 6.3673 3.5132 488 I Isoleucine Aliphatic Beta strand B (undefined) E (parallel sheets) 0 -117.9 135.0 97.19 Low-density lipoprotein receptor LDL-receptor class B 3 Extracellular 131 4.5 I488-A501 (PDBs: 1IJQ, 3M0C) I488-A501 (PAE: 1.0) I488-A480 (PDBs: 1IJQ, 3M0C), I488-V481 (PDBs: 1IJQ, 3M0C), I488-L479 (PDBs: 1IJQ), I488-A501 (PDBs: 1IJQ, 3M0C), I488-V500 (PDBs: 1IJQ, 3M0C) I488-V500 (PAE: 1.0), I488-A480 (PAE: 1.0), I488-D502 (PAE: 1.5), I488-A501 (PAE: 1.0) 10.2000 0.3196 6.3673 3.5132 489 Y Tyrosine Aromatic Beta strand B (undefined) E (parallel sheets) 0 -114.5 144.9 97.94 Low-density lipoprotein receptor LDL-receptor class B 3 Extracellular 181 -1.3 Y489-A480 (PDBs: 1IJQ, 3M0C), Y489-L547 (PDBs: 1IJQ, 3M0C) Y489-L547 (PAE: 1.0), Y489-A480 (PAE: 1.0) Y489-L479 (PDBs: 1IJQ, 3M0C), Y489-V500 (PDBs: 1IJQ, 3M0C), Y489-S499 (PDBs: 1IJQ, 3M0C), Y489-A480 (PDBs: 1IJQ, 3M0C) Y489-L479 (PAE: 1.0), Y489-V500 (PAE: 1.0), Y489-S499 (PAE: 1.0), Y489-A480 (PAE: 1.0) 11.2800 1.3991 6.3673 3.5132 490 W Tryptophan Aromatic Beta strand B (undefined) E (parallel sheets) 0 -147.1 153.6 97.5 Low-density lipoprotein receptor LDL-receptor class B 3 Extracellular 204 -0.9 W490-S499 (PDBs: 1IJQ, 3M0C) W490-S499 (PAE: 1.0) W490-L479 (PDBs: 1IJQ, 3M0C), W490-V498 (PDBs: 1IJQ, 3M0C), W490-V500 (PDBs: 1IJQ, 3M0C), W490-S499 (PDBs: 1IJQ, 3M0C), W490-G478 (PDBs: 1IJQ, 3M0C), W490-P476 (PDBs: 1IJQ, 3M0C) W490-L479 (PAE: 1.0), W490-V498 (PAE: 1.0), W490-V500 (PAE: 1.0), W490-S499 (PAE: 1.0), W490-G478 (PAE: 1.0) 11.2800 1.3991 6.3673 3.5132 491 T Threonine Polar/Neutral Beta strand B (undefined) E (parallel sheets) 0 -95.2 147.2 96.75 Low-density lipoprotein receptor LDL-receptor class B 3 Extracellular 119 -0.7 T491-R520 (PDBs: 1IJQ, 3M0C), T491-G478 (PDBs: 1IJQ, 3M0C) T491-R520 (PAE: 1.5), T491-G478 (PAE: 1.0) T491-T497 (PDBs: 1IJQ, 3M0C), T491-D477 (PDBs: 1IJQ, 3M0C), T491-P519 (PDBs: 1IJQ, 3M0C), T491-R520 (PDBs: 1IJQ, 3M0C), T491-G478 (PDBs: 1IJQ, 3M0C), T491-P476 (PDBs: 1IJQ, 3M0C) T491-T497 (PAE: 1.0), T491-I522 (PAE: 1.0), T491-D477 (PAE: 2.0), T491-P519 (PAE: 1.5), T491-R520 (PAE: 1.5), T491-G478 (PAE: 1.0), T491-P476 (PAE: 2.0) 8.1900 -1.6869 6.3673 3.5132 492 D Aspartic Acid Negatively-charged Beta strand B (undefined) E (parallel sheets) 0 -128.9 111.7 95.06 Low-density lipoprotein receptor LDL-receptor class B 3 Extracellular 132 -3.5 D492-G496 (PDBs: 1IJQ, 3M0C), D492-A475 (PDBs: 1IJQ, 3M0C), D492-T497 (PDBs: 1IJQ, 3M0C), D492-Q474 (PDBs: 1IJQ, 3M0C) D492-G496 (PAE: 1.5), D492-T497 (PAE: 1.0), D492-Q474 (PAE: 2.0) D492-I473 (PDBs: 1IJQ, 3M0C), D492-G496 (PDBs: 1IJQ, 3M0C), D492-P519 (PDBs: 1IJQ, 3M0C), D492-A475 (PDBs: 1IJQ, 3M0C), D492-T497 (PDBs: 1IJQ, 3M0C), D492-Q474 (PDBs: 1IJQ, 3M0C) D492-I473 (PAE: 2.0), D492-G496 (PAE: 1.5), D492-P519 (PAE: 1.5), D492-A475 (PAE: 1.0), D492-T497 (PAE: 1.0), D492-Q474 (PAE: 2.0) 10.7400 0.8622 6.3673 3.5132 493 S Serine Polar/Neutral Turn C (loop/coil) T (turn) 23 -73.4 -27.9 92.0 Low-density lipoprotein receptor LDL-receptor class B 3 Extracellular 105 -0.8 Pocket 4: Mean pLDDT: 85.58, Volume: 477.18 ų, Druggability score: 0.05 0.0541 Pocket 2: Pocket prob: 0.32%, Mean pLDDT: 89.46 0.32 S493-D477 (PDBs: 1IJQ, 3M0C), S493-A475 (PDBs: 1IJQ, 3M0C) S493-D477 (PAE: 2.5), S493-A475 (PAE: 2.0) S493-S517 (PDBs: 1IJQ, 3M0C), S493-D477 (PDBs: 1IJQ, 3M0C), S493-P519 (PDBs: 1IJQ, 3M0C), S493-A475 (PDBs: 1IJQ, 3M0C) S493-S517 (PAE: 2.0), S493-D477 (PAE: 2.5), S493-P519 (PAE: 1.5), S493-A475 (PAE: 2.0) 7.5100 -1.0776 5.0713 3.5132 494 V Valine Aliphatic Turn C (loop/coil) T (turn) 93 -78.8 -40.8 90.25 Low-density lipoprotein receptor LDL-receptor class B 3 Extracellular 117 4.2 Pocket 4: Mean pLDDT: 85.58, Volume: 477.18 ų, Druggability score: 0.05 0.0541 Pocket 2: Pocket prob: 0.32%, Mean pLDDT: 89.46 0.32 V494-Q474 (PDBs: 1IJQ, 3M0C) V494-A475 (PAE: 2.0), V494-Q474 (PAE: 2.0) 3.3800 0.3196 -0.4566 3.5132 495 L Leucine Aliphatic Turn C (loop/coil) T (turn) 49 -81.9 -14.9 91.0 Low-density lipoprotein receptor LDL-receptor class B 3 Extracellular 131 3.8 L495-Q474 (PDBs: 1IJQ, 3M0C) L495-R513 (PAE: 2.0), L495-Q474 (PAE: 2.0) 6.1000 0.3196 2.2702 3.5132 496 G Glycine Special, lack of a chiral carbon, smallest amino acid, very flexible Turn C (loop/coil) T (turn) 3 61.2 40.5 92.88 Low-density lipoprotein receptor LDL-receptor class B 3 Extracellular 75 -0.4 G496-E514 (PDBs: 1IJQ, 3M0C), G496-D492 (PDBs: 1IJQ, 3M0C) G496-E514 (PAE: 2.0), G496-D492 (PAE: 1.5) G496-R513 (PDBs: 1IJQ, 3M0C), G496-P519 (PDBs: 1IJQ), G496-D492 (PDBs: 1IJQ, 3M0C), G496-S517 (PDBs: 1IJQ, 3M0C), G496-E514 (PDBs: 1IJQ, 3M0C), G496-F512 (PDBs: 1IJQ) G496-S517 (PAE: 3.0), G496-E514 (PAE: 2.0), G496-R513 (PAE: 1.5), G496-D492 (PAE: 1.5) 11.1300 1.8506 5.7623 3.5132 497 T Threonine Polar/Neutral Beta strand B (undefined) E (parallel sheets) 1 -120.7 150.3 95.5 Low-density lipoprotein receptor LDL-receptor class B 3 Extracellular 119 -0.7 T497-D492 (PDBs: 1IJQ, 3M0C) T497-D492 (PAE: 1.0) T497-D492 (PDBs: 1IJQ, 3M0C), T497-F512 (PDBs: 1IJQ, 3M0C), T497-T491 (PDBs: 1IJQ, 3M0C), T497-T510 (PDBs: 1IJQ, 3M0C), T497-P519 (PDBs: 1IJQ, 3M0C), T497-R513 (PDBs: 1IJQ, 3M0C) T497-D492 (PAE: 1.0), T497-F512 (PAE: 1.0), T497-T491 (PAE: 1.0), T497-T510 (PAE: 1.0), T497-R513 (PAE: 1.5) 8.1900 -1.6869 6.3673 3.5132 498 V Valine Aliphatic Beta strand B (undefined) E (parallel sheets) 3 -116.1 124.5 96.94 Low-density lipoprotein receptor LDL-receptor class B 3 Extracellular 117 4.2 V498-L511 (PDBs: 1IJQ, 3M0C), V498-F512 (PDBs: 1IJQ, 3M0C) V498-L511 (PAE: 1.0), V498-F512 (PAE: 1.0) V498-L511 (PDBs: 1IJQ, 3M0C), V498-T510 (PDBs: 1IJQ, 3M0C), V498-F512 (PDBs: 1IJQ, 3M0C), V498-W490 (PDBs: 1IJQ, 3M0C) V498-L511 (PAE: 1.0), V498-T510 (PAE: 1.0), V498-F512 (PAE: 1.0), V498-W490 (PAE: 1.0) 10.2000 0.3196 6.3673 3.5132 499 S Serine Polar/Neutral Beta strand B (undefined) E (parallel sheets) 0 -126.5 158.5 96.62 Low-density lipoprotein receptor LDL-receptor class B 3 Extracellular 105 -0.8 S499-W490 (PDBs: 1IJQ, 3M0C) S499-W490 (PAE: 1.0) S499-K509 (PDBs: 1IJQ, 3M0C), S499-T510 (PDBs: 1IJQ, 3M0C), S499-W490 (PDBs: 1IJQ, 3M0C), S499-Y489 (PDBs: 1IJQ, 3M0C) S499-K509 (PAE: 1.0), S499-T510 (PAE: 1.0), S499-W490 (PAE: 1.0), S499-Y489 (PAE: 1.0) 8.8000 -1.0776 6.3673 3.5132 500 V Valine Aliphatic Beta strand B (undefined) E (parallel sheets) 0 -128.2 143.6 97.25 Low-density lipoprotein receptor LDL-receptor class B 3 Extracellular 117 4.2 V500-K509 (PDBs: 1IJQ, 3M0C) V500-K509 (PAE: 1.0) V500-N487 (PDBs: 1IJQ, 3M0C), V500-L511 (PDBs: 1IJQ, 3M0C), V500-I488 (PDBs: 1IJQ, 3M0C), V500-W490 (PDBs: 1IJQ, 3M0C), V500-Y489 (PDBs: 1IJQ, 3M0C), V500-K509 (PDBs: 1IJQ, 3M0C), V500-R508 (PDBs: 1IJQ, 3M0C) V500-L511 (PAE: 1.0), V500-I488 (PAE: 1.0), V500-W490 (PAE: 1.0), V500-Y489 (PAE: 1.0), V500-K509 (PAE: 1.0), V500-R508 (PAE: 1.0) 10.2000 0.3196 6.3673 3.5132 501 A Alanine Aliphatic Beta strand B (undefined) E (parallel sheets) 0 -137.7 162.1 96.5 Low-density lipoprotein receptor LDL-receptor class B 3 Extracellular 89 1.8 A501-I488 (PDBs: 1IJQ, 3M0C) A501-I488 (PAE: 1.0) A501-R508 (PDBs: 1IJQ), A501-I488 (PDBs: 1IJQ, 3M0C), A501-K507 (PDBs: 1IJQ, 3M0C), A501-N487 (PDBs: 1IJQ, 3M0C) A501-I488 (PAE: 1.0), A501-K507 (PAE: 1.0), A501-N487 (PAE: 1.0) 10.5900 0.7136 6.3673 3.5132 502 D Aspartic Acid Negatively-charged Beta strand B (undefined) E (parallel sheets) 24 -67.9 155.2 94.31 Low-density lipoprotein receptor LDL-receptor class B 3 Extracellular 132 -3.5 D502-V506 (PDBs: 1IJQ, 3M0C), D502-K507 (PDBs: 1IJQ, 3M0C) D502-V506 (PAE: 2.0), D502-K507 (PAE: 1.5) D502-N487 (PDBs: 1IJQ, 3M0C), D502-V506 (PDBs: 1IJQ, 3M0C), D502-S486 (PDBs: 1IJQ, 3M0C), D502-K507 (PDBs: 1IJQ, 3M0C) D502-S486 (PAE: 2.0), D502-V506 (PAE: 2.0), D502-I488 (PAE: 1.5), D502-K507 (PAE: 1.5), D502-N487 (PAE: 1.0) 10.0500 0.8622 5.6763 3.5132 503 T Threonine Polar/Neutral C (loop/coil) T (turn) 23 -62.8 -9.2 92.38 Low-density lipoprotein receptor LDL-receptor class B 3 Extracellular 119 -0.7 T503-S486 (PDBs: 1IJQ, 3M0C) T503-S486 (PAE: 2.0) T503-N487 (PDBs: 1IJQ, 3M0C), T503-S486 (PDBs: 1IJQ, 3M0C), T503-V468 (PDBs: 1IJQ, 3M0C) T503-N487 (PAE: 1.0), T503-S486 (PAE: 2.0) 6.9000 -1.6869 5.0713 3.5132 504 K Lysine Positively-charged C (loop/coil) T (turn) 171 -97.2 -4.9 91.38 Low-density lipoprotein receptor LDL-receptor class B 3 Extracellular 147 -3.9 3.0800 0.3020 -0.7340 3.5132 505 G Glycine Special, lack of a chiral carbon, smallest amino acid, very flexible Beta strand C (loop/coil) S (bend) 16 72.5 11.8 90.81 Low-density lipoprotein receptor LDL-receptor class B 3 Extracellular 75 -0.4 G505-V468 (PDBs: 1IJQ, 3M0C) G505-V468 (PAE: 2.0) 9.1900 1.8506 3.8266 3.5132 506 V Valine Aliphatic Beta strand C (loop/coil) S (bend) 106 -82.1 -45.1 93.44 Low-density lipoprotein receptor LDL-receptor class B 3 Extracellular 117 4.2 V506-D502 (PDBs: 1IJQ, 3M0C) V506-D502 (PAE: 2.0) V506-D502 (PDBs: 1IJQ, 3M0C) V506-D502 (PAE: 2.0) 7.3800 0.3196 3.5456 3.5132 507 K Lysine Positively-charged Beta strand C (loop/coil) S (bend) 56 -105.1 138.4 94.38 Low-density lipoprotein receptor LDL-receptor class B 3 Extracellular 147 -3.9 K507-D502 (PDBs: 1IJQ, 3M0C) K507-D502 (PAE: 1.5), K507-Y679 (PAE: 1.0) K507-A501 (PDBs: 1IJQ, 3M0C), K507-D502 (PDBs: 1IJQ, 3M0C), K507-Y679 (PDBs: 1IJQ, 3M0C), K507-L680 (PDBs: 1IJQ) K507-A501 (PAE: 1.0), K507-D502 (PAE: 1.5), K507-Y679 (PAE: 1.0), K507-L680 (PAE: 1.5) 8.5400 0.3020 4.7207 3.5132 508 R Arginine Positively-charged Beta strand B (undefined) E (parallel sheets) 33 -143.1 147.3 95.06 Low-density lipoprotein receptor LDL-receptor class B 3 Extracellular 175 -4.5 R508-Y679 (PDBs: 1IJQ, 3M0C), R508-D472 (PDBs: 1IJQ, 3M0C), R508-R471 (PDBs: 1IJQ, 3M0C) R508-Y679 (PAE: 2.0), R508-D472 (PAE: 4.0), R508-R471 (PAE: 2.5) R508-A501 (PDBs: 1IJQ), R508-L680 (PDBs: 1IJQ), R508-V500 (PDBs: 1IJQ, 3M0C) R508-P699 (PAE: 2.0), R508-V500 (PAE: 1.0) 6.0700 -1.0025 3.5638 3.5132 509 K Lysine Positively-charged Beta strand B (undefined) E (parallel sheets) 44 -145.9 138.7 95.06 Low-density lipoprotein receptor LDL-receptor class B 3 Extracellular 147 -3.9 K509-C698 (PDBs: 1IJQ, 3M0C), K509-V500 (PDBs: 1IJQ, 3M0C) K509-C698 (PAE: 1.5), K509-V500 (PAE: 1.0) K509-S499 (PDBs: 1IJQ, 3M0C), K509-A697 (PDBs: 1IJQ), K509-D700 (PDBs: 1IJQ, 3M0C), K509-C698 (PDBs: 1IJQ, 3M0C), K509-V500 (PDBs: 1IJQ, 3M0C), K509-P699 (PDBs: 3M0C) K509-S499 (PAE: 1.0), K509-A697 (PAE: 2.0), K509-D700 (PAE: 2.0), K509-C698 (PAE: 1.5), K509-V500 (PAE: 1.0) 9.4900 0.3020 5.6763 3.5132 510 T Threonine Polar/Neutral Beta strand B (undefined) E (parallel sheets) 19 -85.0 120.3 95.75 Low-density lipoprotein receptor LDL-receptor class B 3 Extracellular 119 -0.7 T510-D700 (PDBs: 1IJQ, 3M0C) T510-D700 (PAE: 2.0) T510-S499 (PDBs: 1IJQ, 3M0C), T510-T497 (PDBs: 1IJQ, 3M0C), T510-D700 (PDBs: 1IJQ, 3M0C), T510-V498 (PDBs: 1IJQ, 3M0C) T510-S499 (PAE: 1.0), T510-T497 (PAE: 1.0), T510-D700 (PAE: 2.0), T510-V498 (PAE: 1.0) 7.5000 -1.6869 5.6763 3.5132 511 L Leucine Aliphatic Beta strand B (undefined) E (parallel sheets) 23 -88.1 -50.7 95.25 Low-density lipoprotein receptor LDL-receptor class B 3 Extracellular 131 3.8 L511-V498 (PDBs: 1IJQ, 3M0C) L511-V498 (PAE: 1.0) L511-V500 (PDBs: 1IJQ, 3M0C), L511-G549 (PDBs: 1IJQ, 3M0C), L511-V498 (PDBs: 1IJQ, 3M0C), L511-N548 (PDBs: 1IJQ) L511-V500 (PAE: 1.0), L511-V498 (PAE: 1.0), L511-N548 (PAE: 2.0) 9.5100 0.3196 5.6763 3.5132 512 F Phenylalanine Aromatic Beta strand B (undefined) E (parallel sheets) 29 -127.4 142.6 95.25 Low-density lipoprotein receptor LDL-receptor class B 3 Extracellular 165 2.8 F512-V498 (PDBs: 1IJQ, 3M0C) F512-V498 (PAE: 1.0) F512-G549 (PDBs: 1IJQ, 3M0C), F512-T497 (PDBs: 1IJQ, 3M0C), F512-V498 (PDBs: 1IJQ, 3M0C), F512-G496 (PDBs: 1IJQ) F512-G549 (PAE: 1.5), F512-T497 (PAE: 1.0), F512-V498 (PAE: 1.0) 10.5900 1.3991 5.6763 3.5132 513 R Arginine Positively-charged Beta strand B (undefined) E (parallel sheets) 143 -141.9 118.8 93.62 Low-density lipoprotein receptor LDL-receptor class B 3 Extracellular 175 -4.5 R513-G496 (PDBs: 1IJQ, 3M0C), R513-T497 (PDBs: 1IJQ, 3M0C) R513-G496 (PAE: 1.5), R513-T497 (PAE: 1.5), R513-L495 (PAE: 2.0) 5.3900 -1.0025 2.8752 3.5132 514 E Glutamic Acid Negatively-charged C (loop/coil) C (loop/coil) 78 -136.3 109.6 90.62 Low-density lipoprotein receptor LDL-receptor class B 3 Extracellular 146 -3.5 E514-G496 (PDBs: 1IJQ, 3M0C), E514-K543 (PDBs: 1IJQ, 3M0C) E514-G496 (PAE: 2.0), E514-K543 (PAE: 2.5), E514-K541 (PAE: 3.0) E514-G496 (PDBs: 1IJQ, 3M0C) E514-G496 (PAE: 2.0) E514-K543 (PDBs: 1IJQ, 3M0C) E514-K541 (PAE: 3.0), E514-K543 (PAE: 2.5) 7.3100 -0.4423 4.2369 3.5132 515 N Asparagine Polar/Neutral C (loop/coil) T (turn) 146 -64.9 130.3 82.38 Low-density lipoprotein receptor N-linked (GlcNAc...) asparagine LDL-receptor class B 3 Extracellular 132 -3.5 1.2400 -1.0776 -1.1934 3.5132 516 G Glycine Special, lack of a chiral carbon, smallest amino acid, very flexible C (loop/coil) T (turn) 65 87.0 -6.8 75.56 Low-density lipoprotein receptor LDL-receptor class B 3 Extracellular 75 -0.4 Pocket 1: Mean pLDDT: 79.96, Volume: 1865.68 ų, Druggability score: 0.58 0.5753 4.9100 1.8506 -0.4566 3.5132 517 S Serine Polar/Neutral C (loop/coil) C (loop/coil) 10 -69.8 145.7 88.69 Low-density lipoprotein receptor LDL-receptor class B 3 Extracellular 105 -0.8 Morphology: TLFRENGsKPRAIVV; Domain: Ldl_recept_b Pocket 4: Mean pLDDT: 85.58, Volume: 477.18 ų, Druggability score: 0.05 0.0541 S517-S493 (PDBs: 1IJQ, 3M0C), S517-D535 (PDBs: 1IJQ, 3M0C), S517-G496 (PDBs: 1IJQ, 3M0C) S517-S493 (PAE: 2.0), S517-D535 (PAE: 2.0), S517-G496 (PAE: 3.0) 5.8000 -1.0776 3.3637 3.5132 518 K Lysine Positively-charged C (loop/coil) C (loop/coil) 73 -123.0 68.5 91.56 Low-density lipoprotein receptor LDL-receptor class B 3 Extracellular 147 -3.9 Pocket 1: Mean pLDDT: 79.96, Volume: 1865.68 ų, Druggability score: 0.58 0.5753 Pocket 2: Pocket prob: 0.32%, Mean pLDDT: 89.46 0.32 K518-D535 (PDBs: 1IJQ, 3M0C), K518-W536 (PDBs: 1IJQ, 3M0C) K518-D535 (PAE: 1.0), K518-W536 (PAE: 1.5) K518-D535 (PDBs: 1IJQ, 3M0C), K518-W536 (PDBs: 1IJQ, 3M0C), K518-G537 (PDBs: 1IJQ, 3M0C) K518-D535 (PAE: 1.0), K518-W536 (PAE: 1.5) 8.3400 0.3020 4.5204 3.5132 519 P Proline Special, No backbone hydrogen Beta strand B (undefined) E (parallel sheets) 2 -65.8 136.4 95.56 Low-density lipoprotein receptor LDL-receptor class B 3 Extracellular 115 -1.6 P519-S493 (PDBs: 1IJQ, 3M0C), P519-T497 (PDBs: 1IJQ, 3M0C), P519-T534 (PDBs: 1IJQ, 3M0C), P519-D492 (PDBs: 1IJQ, 3M0C), P519-W533 (PDBs: 1IJQ, 3M0C), P519-G496 (PDBs: 1IJQ), P519-T491 (PDBs: 1IJQ, 3M0C) P519-D492 (PAE: 1.5), P519-S493 (PAE: 1.5), P519-T491 (PAE: 1.5), P519-T534 (PAE: 1.0) 6.7500 0.5462 2.6906 3.5132 520 R Arginine Positively-charged Beta strand B (undefined) E (parallel sheets) 34 -118.9 -94.6 93.88 Low-density lipoprotein receptor LDL-receptor class B 3 Extracellular 175 -4.5 Pocket 4: Mean pLDDT: 85.58, Volume: 477.18 ų, Druggability score: 0.05 0.0541 Pocket 2: Pocket prob: 0.32%, Mean pLDDT: 89.46 0.32 R520-T491 (PDBs: 1IJQ, 3M0C), R520-T534 (PDBs: 1IJQ, 3M0C), R520-D477 (PDBs: 1IJQ, 3M0C), R520-N564 (PDBs: 1IJQ) R520-T491 (PAE: 1.5), R520-T534 (PAE: 1.0), R520-N564 (PAE: 2.0) R520-W536 (PDBs: 1IJQ), R520-T534 (PDBs: 1IJQ, 3M0C), R520-N564 (PDBs: 1IJQ), R520-T491 (PDBs: 1IJQ, 3M0C), R520-G478 (PDBs: 1IJQ, 3M0C), R520-D477 (PDBs: 1IJQ, 3M0C) R520-T534 (PAE: 1.0), R520-N564 (PAE: 2.0), R520-T491 (PAE: 1.5), R520-G478 (PAE: 2.0), R520-D477 (PAE: 2.5) R520-D477 (PDBs: 1IJQ, 3M0C) 8.8600 -1.0025 6.3463 3.5132 521 A Alanine Aliphatic Beta strand B (undefined) E (parallel sheets) 18 -80.0 148.1 97.25 Low-density lipoprotein receptor LDL-receptor class B 3 Extracellular 89 1.8 Pocket 5: Mean pLDDT: 99.95, Volume: 686.83 ų, Druggability score: 0.04 0.0421 Pocket 1: Pocket prob: 0.69%, Mean pLDDT: 95.57 0.69 A521-T534 (PDBs: 1IJQ, 3M0C) A521-T534 (PAE: 1.0) A521-N564 (PDBs: 1IJQ, 3M0C), A521-T534 (PDBs: 1IJQ, 3M0C), A521-I566 (PDBs: 1IJQ, 3M0C), A521-G565 (PDBs: 1IJQ, 3M0C), A521-W533 (PDBs: 1IJQ, 3M0C) A521-N564 (PAE: 2.0), A521-T534 (PAE: 1.0), A521-I566 (PAE: 2.0), A521-G565 (PAE: 2.0), A521-W533 (PAE: 1.0) 9.9000 0.7136 5.6763 3.5132 522 I Isoleucine Aliphatic Beta strand B (undefined) E (parallel sheets) 7 -139.3 143.4 97.94 Low-density lipoprotein receptor LDL-receptor class B 3 Extracellular 131 4.5 Pocket 5: Mean pLDDT: 99.95, Volume: 686.83 ų, Druggability score: 0.04 0.0421 Pocket 1: Pocket prob: 0.69%, Mean pLDDT: 95.57 0.69 I522-M531 (PDBs: 1IJQ), I522-W533 (PDBs: 1IJQ), I522-L479 (PDBs: 1IJQ, 3M0C), I522-Y532 (PDBs: 1IJQ, 3M0C), I522-A480 (PDBs: 1IJQ, 3M0C), I522-G478 (PDBs: 1IJQ, 3M0C) I522-T491 (PAE: 1.0), I522-L479 (PAE: 1.0), I522-Y532 (PAE: 1.0), I522-A480 (PAE: 1.0), I522-G478 (PAE: 1.0) 6.5200 0.3196 2.6906 3.5132 523 V Valine Aliphatic Beta strand B (undefined) E (parallel sheets) 24 -137.2 151.5 97.81 Low-density lipoprotein receptor LDL-receptor class B 3 Extracellular 117 4.2 Pocket 5: Mean pLDDT: 99.95, Volume: 686.83 ų, Druggability score: 0.04 0.0421 Pocket 1: Pocket prob: 0.69%, Mean pLDDT: 95.57 0.69 V523-Y532 (PDBs: 1IJQ, 3M0C) V523-Y532 (PAE: 1.0) V523-M531 (PDBs: 1IJQ, 3M0C), V523-I566 (PDBs: 1IJQ, 3M0C), V523-A480 (PDBs: 1IJQ, 3M0C), V523-Y532 (PDBs: 1IJQ, 3M0C), V523-T567 (PDBs: 1IJQ, 3M0C) V523-Y532 (PAE: 1.0), V523-I566 (PAE: 1.0), V523-M531 (PAE: 1.0) 9.5100 0.3196 5.6763 3.5132 524 V Valine Aliphatic Beta strand B (undefined) E (parallel sheets) 11 -118.1 142.0 97.31 Low-density lipoprotein receptor LDL-receptor class B 3 Extracellular 117 4.2 Pocket 5: Mean pLDDT: 99.95, Volume: 686.83 ų, Druggability score: 0.04 0.0421 Pocket 1: Pocket prob: 0.69%, Mean pLDDT: 95.57 0.69 V524-A480 (PDBs: 1IJQ, 3M0C), V524-V481 (PDBs: 1IJQ, 3M0C), V524-F530 (PDBs: 1IJQ, 3M0C), V524-L547 (PDBs: 1IJQ, 3M0C) V524-A480 (PAE: 1.0), V524-V481 (PAE: 1.0), V524-F530 (PAE: 1.0), V524-L547 (PAE: 1.0) 5.8300 0.3196 1.9996 3.5132 525 D Aspartic Acid Negatively-charged Beta strand B (undefined) E (parallel sheets) 2 -112.1 91.2 95.94 Low-density lipoprotein receptor LDL-receptor class B 3 Extracellular 132 -3.5 D525-G529 (PDBs: 1IJQ, 3M0C), D525-F530 (PDBs: 1IJQ, 3M0C) D525-G529 (PAE: 1.0), D525-F530 (PAE: 1.0) D525-G529 (PDBs: 1IJQ, 3M0C), D525-L570 (PDBs: 1IJQ, 3M0C), D525-F530 (PDBs: 1IJQ, 3M0C), D525-L568 (PDBs: 1IJQ) D525-G529 (PAE: 1.0), D525-F530 (PAE: 1.0), D525-L568 (PAE: 1.0) 10.7400 0.8622 6.3673 3.5132 526 P Proline Special, No backbone hydrogen Turn C (loop/coil) T (turn) 3 -74.2 -14.4 94.19 Low-density lipoprotein receptor LDL-receptor class B 3 Extracellular 115 -1.6 P526-L547 (PDBs: 1IJQ, 3M0C), P526-D482 (PDBs: 1IJQ, 3M0C), P526-W483 (PDBs: 1IJQ, 3M0C), P526-I484 (PDBs: 1IJQ), P526-H485 (PDBs: 1IJQ, 3M0C), P526-V664 (PDBs: 3M0C), P526-N665 (PDBs: 3M0C) P526-L547 (PAE: 2.0), P526-D482 (PAE: 1.5), P526-W483 (PAE: 1.5), P526-I484 (PAE: 2.0), P526-H485 (PAE: 1.5) 7.9700 0.5462 3.9146 3.5132 527 V Valine Aliphatic Turn C (loop/coil) T (turn) 59 -79.0 -44.5 91.81 Low-density lipoprotein receptor LDL-receptor class B 3 Extracellular 117 4.2 V527-W666 (PDBs: 3M0C) 6.1000 0.3196 2.2702 3.5132 528 H Histidine Positively-charged Turn C (loop/coil) T (turn) 86 -94.1 -9.9 91.75 Low-density lipoprotein receptor LDL-receptor class B 3 Extracellular 155 -3.2 H528-Q686 (PDBs: 1IJQ) H528-Q686 (PAE: 2.0) H528-P685 (PDBs: 1IJQ, 3M0C), H528-Q686 (PDBs: 1IJQ), H528-A684 (PDBs: 3M0C) H528-P685 (PAE: 2.0), H528-A684 (PAE: 2.0), H528-Q686 (PAE: 2.0) 6.6300 -1.0025 4.1178 3.5132 529 G Glycine Special, lack of a chiral carbon, smallest amino acid, very flexible Turn C (loop/coil) T (turn) 2 84.0 28.5 94.12 Low-density lipoprotein receptor LDL-receptor class B 4 Extracellular 75 -0.4 G529-L547 (PDBs: 1IJQ, 3M0C), G529-D525 (PDBs: 1IJQ, 3M0C) G529-L547 (PAE: 2.0), G529-D525 (PAE: 1.0) G529-A684 (PDBs: 1IJQ), G529-L547 (PDBs: 1IJQ, 3M0C), G529-D525 (PDBs: 1IJQ, 3M0C), G529-P685 (PDBs: 1IJQ), G529-G546 (PDBs: 1IJQ, 3M0C), G529-P683 (PDBs: 3M0C) G529-A684 (PAE: 1.5), G529-L547 (PAE: 2.0), G529-D525 (PAE: 1.0), G529-P685 (PAE: 2.0), G529-G546 (PAE: 2.0) 11.1300 1.8506 5.7623 3.5132 530 F Phenylalanine Aromatic Beta strand B (undefined) E (parallel sheets) 18 -120.1 157.0 96.38 Low-density lipoprotein receptor LDL-receptor class B 4 Extracellular 165 2.8 F530-D525 (PDBs: 1IJQ, 3M0C) F530-D525 (PAE: 1.0) F530-Q686 (PDBs: 1IJQ), F530-K544 (PDBs: 1IJQ, 3M0C), F530-V524 (PDBs: 1IJQ, 3M0C), F530-D525 (PDBs: 1IJQ, 3M0C), F530-L547 (PDBs: 1IJQ, 3M0C), F530-P685 (PDBs: 1IJQ, 3M0C), F530-G545 (PDBs: 1IJQ, 3M0C) F530-K544 (PAE: 1.0), F530-V524 (PAE: 1.0), F530-D525 (PAE: 1.0), F530-L547 (PAE: 1.0), F530-P685 (PAE: 1.5), F530-G545 (PAE: 1.0) 10.5900 1.3991 5.6763 3.5132 531 M Methionine Aliphatic Beta strand B (undefined) E (parallel sheets) 0 -133.2 151.5 97.31 Low-density lipoprotein receptor LDL-receptor class B 4 Extracellular 149 1.9 M531-G545 (PDBs: 1IJQ, 3M0C) M531-G545 (PAE: 1.0) M531-I522 (PDBs: 1IJQ), M531-K544 (PDBs: 1IJQ, 3M0C), M531-G546 (PDBs: 1IJQ, 3M0C), M531-L547 (PDBs: 1IJQ, 3M0C), M531-V523 (PDBs: 1IJQ, 3M0C), M531-G545 (PDBs: 1IJQ, 3M0C) M531-K544 (PAE: 1.0), M531-G546 (PAE: 1.0), M531-L547 (PAE: 1.0), M531-V523 (PAE: 1.0), M531-G545 (PAE: 1.0) 10.2000 0.3196 6.3673 3.5132 532 Y Tyrosine Aromatic Beta strand B (undefined) E (parallel sheets) 2 -131.5 135.8 97.88 Low-density lipoprotein receptor LDL-receptor class B 4 Extracellular 181 -1.3 Y532-V523 (PDBs: 1IJQ, 3M0C) Y532-V523 (PAE: 1.0) Y532-I522 (PDBs: 1IJQ, 3M0C), Y532-K544 (PDBs: 1IJQ, 3M0C), Y532-K543 (PDBs: 1IJQ, 3M0C), Y532-V523 (PDBs: 1IJQ, 3M0C) Y532-I522 (PAE: 1.0), Y532-K544 (PAE: 1.0), Y532-K543 (PAE: 1.0), Y532-V523 (PAE: 1.0) 11.2800 1.3991 6.3673 3.5132 533 W Tryptophan Aromatic Beta strand B (undefined) E (parallel sheets) 5 -145.0 153.7 97.62 Low-density lipoprotein receptor LDL-receptor class B 4 Extracellular 204 -0.9 W533-K543 (PDBs: 1IJQ, 3M0C) W533-K543 (PAE: 1.0) W533-I522 (PDBs: 1IJQ), W533-P519 (PDBs: 1IJQ, 3M0C), W533-A521 (PDBs: 1IJQ, 3M0C), W533-K543 (PDBs: 1IJQ, 3M0C), W533-I542 (PDBs: 1IJQ, 3M0C) W533-A521 (PAE: 1.0), W533-I542 (PAE: 1.0), W533-K543 (PAE: 1.0) 11.2800 1.3991 6.3673 3.5132 534 T Threonine Polar/Neutral Beta strand B (undefined) E (parallel sheets) 0 -91.2 143.8 97.06 Low-density lipoprotein receptor LDL-receptor class B 4 Extracellular 119 -0.7 T534-A521 (PDBs: 1IJQ, 3M0C), T534-R520 (PDBs: 1IJQ, 3M0C), T534-P563 (PDBs: 1IJQ), T534-N564 (PDBs: 1IJQ, 3M0C) T534-A521 (PAE: 1.0), T534-R520 (PAE: 1.0), T534-N564 (PAE: 2.0) T534-A521 (PDBs: 1IJQ, 3M0C), T534-P563 (PDBs: 1IJQ, 3M0C), T534-R520 (PDBs: 1IJQ, 3M0C), T534-K541 (PDBs: 1IJQ, 3M0C), T534-N564 (PDBs: 1IJQ, 3M0C), T534-P519 (PDBs: 1IJQ, 3M0C) T534-A521 (PAE: 1.0), T534-I566 (PAE: 1.0), T534-P563 (PAE: 1.5), T534-R520 (PAE: 1.0), T534-K541 (PAE: 1.0), T534-N564 (PAE: 2.0), T534-P519 (PAE: 1.0) 8.1900 -1.6869 6.3673 3.5132 535 D Aspartic Acid Negatively-charged Beta strand B (undefined) E (parallel sheets) 1 -140.9 117.1 95.88 Low-density lipoprotein receptor LDL-receptor class B 4 Extracellular 132 -3.5 D535-K543 (PDBs: 1IJQ), D535-K541 (PDBs: 1IJQ, 3M0C), D535-K518 (PDBs: 1IJQ, 3M0C) D535-K541 (PAE: 1.0), D535-K518 (PAE: 1.0) D535-A540 (PDBs: 1IJQ, 3M0C), D535-K543 (PDBs: 1IJQ, 3M0C), D535-K518 (PDBs: 1IJQ, 3M0C), D535-P563 (PDBs: 1IJQ, 3M0C), D535-K541 (PDBs: 1IJQ, 3M0C), D535-S517 (PDBs: 1IJQ, 3M0C) D535-A540 (PAE: 1.0), D535-K543 (PAE: 1.5), D535-K518 (PAE: 1.0), D535-P563 (PAE: 1.0), D535-K541 (PAE: 1.0), D535-S517 (PAE: 2.0) D535-K543 (PDBs: 1IJQ) 10.7400 0.8622 6.3673 3.5132 536 W Tryptophan Aromatic C (loop/coil) C (loop/coil) 74 -101.5 14.6 93.12 Low-density lipoprotein receptor LDL-receptor class B 4 Extracellular 204 -0.9 Pocket 1: Mean pLDDT: 79.96, Volume: 1865.68 ų, Druggability score: 0.58 0.5753 Pocket 2: Pocket prob: 0.32%, Mean pLDDT: 89.46 0.32 W536-K518 (PDBs: 1IJQ, 3M0C) W536-K518 (PAE: 1.5) W536-P563 (PDBs: 1IJQ, 3M0C), W536-R520 (PDBs: 1IJQ), W536-K518 (PDBs: 1IJQ, 3M0C) W536-P563 (PAE: 1.5), W536-W562 (PAE: 2.0), W536-K518 (PAE: 1.5) 9.4300 1.3991 4.5204 3.5132 537 G Glycine Special, lack of a chiral carbon, smallest amino acid, very flexible Beta strand C (loop/coil) S (bend) 6 -60.3 178.5 88.25 Low-density lipoprotein receptor LDL-receptor class B 4 Extracellular 75 -0.4 Pocket 1: Mean pLDDT: 79.96, Volume: 1865.68 ų, Druggability score: 0.58 0.5753 G537-K518 (PDBs: 1IJQ, 3M0C) 9.4700 1.8506 4.1040 3.5132 538 T Threonine Polar/Neutral Beta strand C (loop/coil) S (bend) 140 -98.1 107.5 86.69 Low-density lipoprotein receptor LDL-receptor class B 4 Extracellular 119 -0.7 Pocket 1: Mean pLDDT: 79.96, Volume: 1865.68 ų, Druggability score: 0.58 0.5753 Pocket 3: Pocket prob: 0.2%, Mean pLDDT: 83.57 0.2 3.1500 -1.6869 1.3215 3.5132 539 P Proline Special, No backbone hydrogen Beta strand C (loop/coil) S (bend) 94 -88.0 150.2 89.12 Low-density lipoprotein receptor LDL-receptor class B 4 Extracellular 115 -1.6 Pocket 1: Mean pLDDT: 79.96, Volume: 1865.68 ų, Druggability score: 0.58 0.5753 4.2100 0.5462 0.1464 3.5132 540 A Alanine Aliphatic C (loop/coil) C (loop/coil) 13 -71.9 141.0 92.81 Low-density lipoprotein receptor LDL-receptor class B 4 Extracellular 89 1.8 Pocket 1: Mean pLDDT: 79.96, Volume: 1865.68 ų, Druggability score: 0.58 0.5753 A540-I560 (PDBs: 1IJQ, 3M0C), A540-D535 (PDBs: 1IJQ, 3M0C), A540-Q561 (PDBs: 1IJQ, 3M0C), A540-P563 (PDBs: 1IJQ, 3M0C) A540-I560 (PAE: 2.0), A540-D535 (PAE: 1.0), A540-Q561 (PAE: 2.0) 5.0700 0.7136 0.8437 3.5132 541 K Lysine Positively-charged Beta strand B (undefined) E (parallel sheets) 21 -159.7 152.5 95.12 Low-density lipoprotein receptor LDL-receptor class B 4 Extracellular 147 -3.9 K541-D535 (PDBs: 1IJQ, 3M0C) K541-D535 (PAE: 1.0), K541-E514 (PAE: 3.0) K541-T534 (PDBs: 1IJQ, 3M0C), K541-I560 (PDBs: 1IJQ, 3M0C), K541-D535 (PDBs: 1IJQ, 3M0C), K541-S554 (PDBs: 1IJQ, 3M0C), K541-P563 (PDBs: 1IJQ, 3M0C), K541-V556 (PDBs: 1IJQ, 3M0C) K541-D535 (PAE: 1.0), K541-T534 (PAE: 1.0), K541-I560 (PAE: 2.0), K541-V556 (PAE: 1.5) K541-E514 (PAE: 3.0) 10.1600 0.3020 6.3463 3.5132 542 I Isoleucine Aliphatic Beta strand B (undefined) E (parallel sheets) 0 -102.8 128.2 97.19 Low-density lipoprotein receptor LDL-receptor class B 4 Extracellular 131 4.5 I542-V556 (PDBs: 1IJQ, 3M0C), I542-L555 (PDBs: 1IJQ, 3M0C) I542-V556 (PAE: 1.0), I542-L555 (PAE: 1.0) I542-W533 (PDBs: 1IJQ, 3M0C), I542-V556 (PDBs: 1IJQ, 3M0C), I542-L555 (PDBs: 1IJQ, 3M0C), I542-S554 (PDBs: 1IJQ, 3M0C) I542-V556 (PAE: 1.0), I542-L555 (PAE: 1.0), I542-S554 (PAE: 1.0), I542-W533 (PAE: 1.0) 10.2000 0.3196 6.3673 3.5132 543 K Lysine Positively-charged Beta strand B (undefined) E (parallel sheets) 11 -107.7 149.8 96.31 Low-density lipoprotein receptor LDL-receptor class B 4 Extracellular 147 -3.9 K543-D535 (PDBs: 1IJQ), K543-W533 (PDBs: 1IJQ, 3M0C), K543-E514 (PDBs: 1IJQ, 3M0C) K543-W533 (PAE: 1.0), K543-E514 (PAE: 2.5) K543-D535 (PDBs: 1IJQ, 3M0C), K543-Y553 (PDBs: 1IJQ, 3M0C), K543-W533 (PDBs: 1IJQ, 3M0C), K543-S554 (PDBs: 1IJQ), K543-Y532 (PDBs: 1IJQ, 3M0C) K543-D535 (PAE: 1.5), K543-W533 (PAE: 1.0), K543-Y553 (PAE: 1.0), K543-Y532 (PAE: 1.0) K543-D535 (PDBs: 1IJQ), K543-E514 (PDBs: 1IJQ, 3M0C) K543-E514 (PAE: 2.5) 10.1600 0.3020 6.3463 3.5132 544 K Lysine Positively-charged Beta strand B (undefined) E (parallel sheets) 14 -114.2 135.7 96.62 Low-density lipoprotein receptor LDL-receptor class B 4 Extracellular 147 -3.9 K544-V590 (PDBs: 1IJQ, 3M0C), K544-Y553 (PDBs: 1IJQ, 3M0C) K544-V590 (PAE: 2.0), K544-Y553 (PAE: 1.0) K544-F530 (PDBs: 1IJQ, 3M0C), K544-M531 (PDBs: 1IJQ, 3M0C), K544-D551 (PDBs: 1IJQ), K544-Y553 (PDBs: 1IJQ, 3M0C), K544-I552 (PDBs: 1IJQ, 3M0C), K544-Y532 (PDBs: 1IJQ, 3M0C) K544-F530 (PAE: 1.0), K544-M531 (PAE: 1.0), K544-D551 (PAE: 2.0), K544-Y553 (PAE: 1.0), K544-I552 (PAE: 1.0), K544-Y532 (PAE: 1.0) 9.4900 0.3020 5.6763 3.5132 545 G Glycine Special, lack of a chiral carbon, smallest amino acid, very flexible Beta strand B (undefined) E (parallel sheets) 0 -141.7 156.9 95.5 Low-density lipoprotein receptor LDL-receptor class B 4 Extracellular 75 -0.4 G545-M531 (PDBs: 1IJQ, 3M0C) G545-M531 (PAE: 1.0) G545-D551 (PDBs: 1IJQ, 3M0C), G545-M531 (PDBs: 1IJQ, 3M0C), G545-F530 (PDBs: 1IJQ, 3M0C), G545-V550 (PDBs: 1IJQ) G545-D551 (PAE: 2.0), G545-M531 (PAE: 1.0), G545-F530 (PAE: 1.0), G545-V550 (PAE: 2.0) 11.7300 1.8506 6.3673 3.5132 546 G Glycine Special, lack of a chiral carbon, smallest amino acid, very flexible Beta strand B (undefined) E (parallel sheets) 0 -66.6 146.0 96.0 Low-density lipoprotein receptor LDL-receptor class B 4 Extracellular 75 -0.4 G546-V550 (PDBs: 1IJQ), G546-D551 (PDBs: 1IJQ, 3M0C) G546-V550 (PAE: 1.5) G546-M531 (PDBs: 1IJQ, 3M0C), G546-P685 (PDBs: 1IJQ), G546-G529 (PDBs: 1IJQ, 3M0C), G546-D551 (PDBs: 1IJQ, 3M0C), G546-V550 (PDBs: 1IJQ) G546-M531 (PAE: 1.0), G546-V550 (PAE: 1.5), G546-G529 (PAE: 2.0) 9.9000 1.8506 4.5382 3.5132 547 L Leucine Aliphatic C (loop/coil) T (turn) 0 -61.3 -20.9 96.31 Low-density lipoprotein receptor LDL-receptor class B 4 Extracellular 131 3.8 L547-Y489 (PDBs: 1IJQ, 3M0C), L547-G529 (PDBs: 1IJQ, 3M0C) L547-Y489 (PAE: 1.0), L547-G529 (PAE: 2.0) L547-V524 (PDBs: 1IJQ, 3M0C), L547-P683 (PDBs: 1IJQ, 3M0C), L547-M531 (PDBs: 1IJQ, 3M0C), L547-F530 (PDBs: 1IJQ, 3M0C), L547-P526 (PDBs: 1IJQ, 3M0C), L547-G529 (PDBs: 1IJQ, 3M0C), L547-L682 (PDBs: 1IJQ, 3M0C) L547-V524 (PAE: 1.0), L547-P683 (PAE: 1.5), L547-M531 (PAE: 1.0), L547-F530 (PAE: 1.0), L547-P526 (PAE: 2.0), L547-G529 (PAE: 2.0), L547-L682 (PAE: 1.0) 9.6000 0.3196 5.7623 3.5132 548 N Asparagine Polar/Neutral C (loop/coil) T (turn) 15 -83.0 -0.1 94.31 Low-density lipoprotein receptor LDL-receptor class B 4 Extracellular 132 -3.5 N548-T695 (PDBs: 1IJQ, 3M0C) N548-T695 (PAE: 2.0) N548-A684 (PDBs: 1IJQ), N548-P683 (PDBs: 1IJQ), N548-L511 (PDBs: 1IJQ), N548-L682 (PDBs: 1IJQ, 3M0C), N548-P685 (PDBs: 1IJQ), N548-T695 (PDBs: 1IJQ, 3M0C) N548-A684 (PAE: 2.0), N548-P683 (PAE: 1.5), N548-L511 (PAE: 2.0), N548-L682 (PAE: 2.0), N548-P685 (PAE: 1.5), N548-T695 (PAE: 2.0) 7.5100 -1.0776 5.0713 3.5132 549 G Glycine Special, lack of a chiral carbon, smallest amino acid, very flexible C (loop/coil) S (bend) 19 80.8 16.8 92.75 Low-density lipoprotein receptor LDL-receptor class B 4 Extracellular 75 -0.4 G549-F512 (PDBs: 1IJQ, 3M0C), G549-L511 (PDBs: 1IJQ, 3M0C) G549-F512 (PAE: 1.5) 7.3600 1.8506 1.9975 3.5132 550 V Valine Aliphatic C (loop/coil) C (loop/coil) 73 -106.6 162.1 91.12 Low-density lipoprotein receptor LDL-receptor class B 4 Extracellular 117 4.2 V550-G546 (PDBs: 1IJQ) V550-G546 (PAE: 1.5) V550-G546 (PDBs: 1IJQ), V550-G545 (PDBs: 1IJQ) V550-G546 (PAE: 1.5), V550-G545 (PAE: 2.0) 5.5700 0.3196 1.7378 3.5132 551 D Aspartic Acid Negatively-charged C (loop/coil) S (bend) 78 58.0 54.0 89.69 Low-density lipoprotein receptor LDL-receptor class B 4 Extracellular 132 -3.5 D551-G546 (PDBs: 1IJQ, 3M0C) D551-G546 (PDBs: 1IJQ, 3M0C), D551-K544 (PDBs: 1IJQ), D551-G545 (PDBs: 1IJQ, 3M0C) D551-P685 (PAE: 3.5), D551-K544 (PAE: 2.0), D551-G545 (PAE: 2.0) 7.2700 0.8622 2.8917 3.5132 552 I Isoleucine Aliphatic Beta strand C (loop/coil) C (loop/coil) 78 -82.9 131.3 93.31 Low-density lipoprotein receptor LDL-receptor class B 4 Extracellular 131 4.5 I552-K544 (PDBs: 1IJQ, 3M0C) I552-K544 (PAE: 1.0) 4.6800 0.3196 0.8437 3.5132 553 Y Tyrosine Aromatic Beta strand B (undefined) E (parallel sheets) 91 -151.6 159.7 93.0 Low-density lipoprotein receptor LDL-receptor class B 4 Extracellular 181 -1.3 Y553-K544 (PDBs: 1IJQ, 3M0C) Y553-K544 (PAE: 1.0) Y553-K544 (PDBs: 1IJQ, 3M0C), Y553-K543 (PDBs: 1IJQ, 3M0C) Y553-K544 (PAE: 1.0), Y553-K543 (PAE: 1.0) 9.6400 1.3991 4.7228 3.5132 554 S Serine Polar/Neutral Beta strand B (undefined) E (parallel sheets) 48 -81.9 119.9 93.56 Low-density lipoprotein receptor LDL-receptor class B 4 Extracellular 105 -0.8 S554-K541 (PDBs: 1IJQ, 3M0C), S554-K543 (PDBs: 1IJQ), S554-I542 (PDBs: 1IJQ, 3M0C) S554-I542 (PAE: 1.0) 5.3100 -1.0776 2.8752 3.5132 555 L Leucine Aliphatic Beta strand B (undefined) E (parallel sheets) 11 -83.4 -42.3 95.12 Low-density lipoprotein receptor LDL-receptor class B 4 Extracellular 131 3.8 L555-I542 (PDBs: 1IJQ, 3M0C) L555-I542 (PAE: 1.0) L555-G592 (PDBs: 1IJQ, 3M0C), L555-I542 (PDBs: 1IJQ, 3M0C), L555-N591 (PDBs: 1IJQ, 3M0C) L555-G592 (PAE: 2.5), L555-I542 (PAE: 1.0), L555-N591 (PAE: 2.5) 9.5100 0.3196 5.6763 3.5132 556 V Valine Aliphatic Beta strand B (undefined) E (parallel sheets) 7 -127.7 122.6 95.94 Low-density lipoprotein receptor LDL-receptor class B 4 Extracellular 117 4.2 V556-I542 (PDBs: 1IJQ, 3M0C) V556-I542 (PAE: 1.0) V556-K541 (PDBs: 1IJQ, 3M0C), V556-I542 (PDBs: 1IJQ, 3M0C) V556-K541 (PAE: 1.5), V556-I542 (PAE: 1.0) 10.2000 0.3196 6.3673 3.5132 557 T Threonine Polar/Neutral C (loop/coil) C (loop/coil) 78 -124.8 -18.5 93.31 Low-density lipoprotein receptor LDL-receptor class B 4 Extracellular 119 -0.7 Pocket 1: Mean pLDDT: 79.96, Volume: 1865.68 ų, Druggability score: 0.58 0.5753 0.5400 -1.6869 -1.2849 3.5132 558 E Glutamic Acid Negatively-charged C (loop/coil) S (bend) 124 -100.1 150.9 91.56 Low-density lipoprotein receptor LDL-receptor class B 4 Extracellular 146 -3.5 E558-R595 (PDBs: 1IJQ, 3M0C) E558-R595 (PAE: 2.5) 5.0600 -0.4423 1.9940 3.5132 559 N Asparagine Polar/Neutral C (loop/coil) S (bend) 121 46.0 49.6 91.12 Low-density lipoprotein receptor LDL-receptor class B 4 Extracellular 132 -3.5 N559-R595 (PDBs: 1IJQ, 3M0C) N559-R595 (PAE: 2.5) 5.6000 -1.0776 3.1691 3.5132 560 I Isoleucine Aliphatic C (loop/coil) C (loop/coil) 4 -141.6 132.3 92.94 Low-density lipoprotein receptor LDL-receptor class B 4 Extracellular 131 4.5 Pocket 1: Mean pLDDT: 79.96, Volume: 1865.68 ų, Druggability score: 0.58 0.5753 I560-K541 (PDBs: 1IJQ, 3M0C), I560-D579 (PDBs: 1IJQ, 3M0C), I560-A540 (PDBs: 1IJQ, 3M0C) I560-K541 (PAE: 2.0), I560-D579 (PAE: 1.0), I560-A540 (PAE: 2.0) 5.3700 0.3196 1.5347 3.5132 561 Q Glutamine Polar/Neutral C (loop/coil) S (bend) 96 -130.9 -59.3 89.19 Low-density lipoprotein receptor LDL-receptor class B 4 Extracellular 146 -3.5 Pocket 1: Mean pLDDT: 79.96, Volume: 1865.68 ų, Druggability score: 0.58 0.5753 Pocket 3: Pocket prob: 0.2%, Mean pLDDT: 83.57 0.2 Q561-D579 (PDBs: 1IJQ, 3M0C) Q561-D579 (PAE: 1.0) Q561-A540 (PDBs: 1IJQ, 3M0C), Q561-K581 (PDBs: 1IJQ, 3M0C), Q561-D579 (PDBs: 1IJQ, 3M0C) Q561-A540 (PAE: 2.0), Q561-D579 (PAE: 1.0) 6.1600 -1.4758 4.1226 3.5132 562 W Tryptophan Aromatic C (loop/coil) C (loop/coil) 61 -128.9 71.7 92.88 Low-density lipoprotein receptor LDL-receptor class B 4 Extracellular 204 -0.9 Pocket 1: Mean pLDDT: 79.96, Volume: 1865.68 ų, Druggability score: 0.58 0.5753 Pocket 2: Pocket prob: 0.32%, Mean pLDDT: 89.46 0.32 W562-D579 (PDBs: 1IJQ, 3M0C), W562-S580 (PDBs: 1IJQ, 3M0C) W562-D579 (PAE: 1.0), W562-S580 (PAE: 1.5) W562-D579 (PDBs: 1IJQ, 3M0C), W562-S580 (PDBs: 1IJQ, 3M0C), W562-K581 (PDBs: 1IJQ, 3M0C) W562-W536 (PAE: 2.0), W562-D579 (PAE: 1.0), W562-S580 (PAE: 1.5), W562-K581 (PAE: 1.0) 9.4300 1.3991 4.5204 3.5132 563 P Proline Special, No backbone hydrogen Beta strand B (undefined) E (parallel sheets) 0 -73.0 111.5 96.06 Low-density lipoprotein receptor LDL-receptor class B 4 Extracellular 115 -1.6 P563-T534 (PDBs: 1IJQ) P563-V578 (PDBs: 1IJQ, 3M0C), P563-A540 (PDBs: 1IJQ, 3M0C), P563-W536 (PDBs: 1IJQ, 3M0C), P563-T534 (PDBs: 1IJQ, 3M0C), P563-D535 (PDBs: 1IJQ, 3M0C), P563-K541 (PDBs: 1IJQ, 3M0C) P563-W536 (PAE: 1.5), P563-D535 (PAE: 1.0), P563-V578 (PAE: 1.0), P563-T534 (PAE: 1.5) 8.6000 0.5462 4.5382 3.5132 564 N Asparagine Polar/Neutral Beta strand B (undefined) E (parallel sheets) 0 -94.8 -81.5 93.0 Low-density lipoprotein receptor LDL-receptor class B 4 Extracellular 132 -3.5 Pocket 5: Mean pLDDT: 99.95, Volume: 686.83 ų, Druggability score: 0.04 0.0421 N564-S580 (PDBs: 1IJQ, 3M0C), N564-R520 (PDBs: 1IJQ), N564-V578 (PDBs: 1IJQ, 3M0C), N564-T534 (PDBs: 1IJQ, 3M0C) N564-P608 (PAE: 2.0), N564-R520 (PAE: 2.0), N564-V578 (PAE: 2.0), N564-T534 (PAE: 2.0) N564-S580 (PDBs: 1IJQ, 3M0C), N564-R520 (PDBs: 1IJQ), N564-V578 (PDBs: 1IJQ, 3M0C), N564-P608 (PDBs: 1IJQ, 3M0C), N564-T534 (PDBs: 1IJQ, 3M0C), N564-A521 (PDBs: 1IJQ, 3M0C), N564-F609 (PDBs: 1IJQ, 3M0C) N564-S580 (PAE: 2.5), N564-R520 (PAE: 2.0), N564-V578 (PAE: 2.0), N564-P608 (PAE: 2.0), N564-T534 (PAE: 2.0), N564-A521 (PAE: 2.0), N564-F609 (PAE: 1.5) 8.8000 -1.0776 6.3673 3.5132 565 G Glycine Special, lack of a chiral carbon, smallest amino acid, very flexible Beta strand B (undefined) E (parallel sheets) 1 -88.1 148.4 94.81 Low-density lipoprotein receptor LDL-receptor class B 4 Extracellular 75 -0.4 Pocket 5: Mean pLDDT: 99.95, Volume: 686.83 ų, Druggability score: 0.04 0.0421 G565-V578 (PDBs: 1IJQ, 3M0C), G565-F609 (PDBs: 1IJQ, 3M0C) G565-V578 (PAE: 1.5) G565-F609 (PDBs: 1IJQ, 3M0C), G565-L611 (PDBs: 1IJQ, 3M0C), G565-V578 (PDBs: 1IJQ, 3M0C), G565-A521 (PDBs: 1IJQ, 3M0C), G565-W577 (PDBs: 1IJQ, 3M0C) G565-F609 (PAE: 2.0), G565-L611 (PAE: 2.0), G565-V578 (PAE: 1.5), G565-A521 (PAE: 2.0), G565-W577 (PAE: 1.0) 11.7300 1.8506 6.3673 3.5132 566 I Isoleucine Aliphatic Beta strand B (undefined) E (parallel sheets) 10 -139.2 140.8 97.44 Low-density lipoprotein receptor LDL-receptor class B 4 Extracellular 131 4.5 Pocket 5: Mean pLDDT: 99.95, Volume: 686.83 ų, Druggability score: 0.04 0.0421 Pocket 1: Pocket prob: 0.69%, Mean pLDDT: 95.57 0.69 I566-L611 (PDBs: 1IJQ, 3M0C), I566-Y576 (PDBs: 1IJQ, 3M0C), I566-V523 (PDBs: 1IJQ, 3M0C), I566-A521 (PDBs: 1IJQ, 3M0C) I566-Y576 (PAE: 1.0), I566-L611 (PAE: 2.5), I566-T534 (PAE: 1.0), I566-A521 (PAE: 2.0), I566-V523 (PAE: 1.0) 8.3500 0.3196 4.5197 3.5132 567 T Threonine Polar/Neutral Beta strand B (undefined) E (parallel sheets) 23 -134.8 153.9 97.0 Low-density lipoprotein receptor LDL-receptor class B 4 Extracellular 119 -0.7 Pocket 5: Mean pLDDT: 99.95, Volume: 686.83 ų, Druggability score: 0.04 0.0421 Pocket 1: Pocket prob: 0.69%, Mean pLDDT: 95.57 0.69 T567-Y576 (PDBs: 1IJQ, 3M0C) T567-Y576 (PAE: 1.0) T567-V523 (PDBs: 1IJQ, 3M0C), T567-L611 (PDBs: 1IJQ, 3M0C), T567-L575 (PDBs: 1IJQ, 3M0C), T567-Y576 (PDBs: 1IJQ, 3M0C) T567-L611 (PAE: 2.0), T567-L575 (PAE: 1.0), T567-V613 (PAE: 1.5), T567-Y576 (PAE: 1.0) 7.5000 -1.6869 5.6763 3.5132 568 L Leucine Aliphatic Beta strand B (undefined) E (parallel sheets) 25 -117.4 128.8 95.19 Low-density lipoprotein receptor LDL-receptor class B 4 Extracellular 131 3.8 Pocket 5: Mean pLDDT: 99.95, Volume: 686.83 ų, Druggability score: 0.04 0.0421 Pocket 1: Pocket prob: 0.69%, Mean pLDDT: 95.57 0.69 L568-L575 (PDBs: 1IJQ, 3M0C), L568-D525 (PDBs: 1IJQ), L568-R574 (PDBs: 1IJQ, 3M0C) L568-L575 (PAE: 1.0), L568-D525 (PAE: 1.0), L568-R574 (PAE: 1.0) 5.8300 0.3196 1.9996 3.5132 569 D Aspartic Acid Negatively-charged Beta strand B (undefined) E (parallel sheets) 27 -87.5 101.0 91.69 Low-density lipoprotein receptor LDL-receptor class B 4 Extracellular 132 -3.5 Pocket 5: Pocket prob: 0.12%, Mean pLDDT: 87.58 0.12 D569-G573 (PDBs: 1IJQ, 3M0C), D569-R574 (PDBs: 1IJQ, 3M0C) D569-G573 (PAE: 1.5), D569-R633 (PAE: 3.0), D569-R574 (PAE: 1.0) D569-G573 (PDBs: 1IJQ, 3M0C), D569-R574 (PDBs: 1IJQ, 3M0C) D569-G573 (PAE: 1.5), D569-R574 (PAE: 1.0) D569-R633 (PAE: 3.0) 10.7200 0.8622 6.3463 3.5132 570 L Leucine Aliphatic Turn C (loop/coil) T (turn) 23 -65.3 -31.9 88.69 Low-density lipoprotein receptor LDL-receptor class B 4 Extracellular 131 3.8 Pocket 5: Mean pLDDT: 99.95, Volume: 686.83 ų, Druggability score: 0.04 0.0421 Pocket 1: Pocket prob: 0.69%, Mean pLDDT: 95.57 0.69 L570-D525 (PDBs: 1IJQ, 3M0C) 5.2300 0.3196 1.3946 3.5132 571 L Leucine Aliphatic Turn C (loop/coil) T (turn) 71 -75.5 -48.4 83.69 Low-density lipoprotein receptor LDL-receptor class B 4 Extracellular 131 3.8 Pocket 5: Pocket prob: 0.12%, Mean pLDDT: 87.58 0.12 4.5500 0.3196 0.7185 3.5132 572 S Serine Polar/Neutral Turn C (loop/coil) T (turn) 58 -79.1 -14.0 83.12 Low-density lipoprotein receptor LDL-receptor class B 4 Extracellular 105 -0.8 3.1500 -1.0776 0.7185 3.5132 573 G Glycine Special, lack of a chiral carbon, smallest amino acid, very flexible Turn C (loop/coil) T (turn) 16 66.1 42.2 88.88 Low-density lipoprotein receptor LDL-receptor class B 5 Extracellular 75 -0.4 G573-V590 (PDBs: 1IJQ, 3M0C), G573-D569 (PDBs: 1IJQ, 3M0C) G573-V590 (PAE: 2.0), G573-D569 (PAE: 1.5) G573-V590 (PDBs: 1IJQ, 3M0C), G573-D589 (PDBs: 1IJQ, 3M0C), G573-D569 (PDBs: 1IJQ, 3M0C) G573-V590 (PAE: 2.0), G573-D589 (PAE: 1.5), G573-D569 (PAE: 1.5) 10.4400 1.8506 5.0713 3.5132 574 R Arginine Positively-charged Beta strand B (undefined) E (parallel sheets) 14 -126.9 130.2 92.31 Low-density lipoprotein receptor LDL-receptor class B 5 Extracellular 175 -4.5 R574-D569 (PDBs: 1IJQ, 3M0C), R574-D589 (PDBs: 1IJQ, 3M0C), R574-N594 (PDBs: 1IJQ, 3M0C), R574-S587 (PDBs: 1IJQ, 3M0C) R574-D569 (PAE: 1.0), R574-D589 (PAE: 1.0), R574-N594 (PAE: 2.0) R574-D589 (PDBs: 1IJQ, 3M0C), R574-L568 (PDBs: 1IJQ, 3M0C), R574-S587 (PDBs: 1IJQ, 3M0C), R574-D569 (PDBs: 1IJQ, 3M0C), R574-I588 (PDBs: 1IJQ, 3M0C) R574-D589 (PAE: 1.0), R574-L568 (PAE: 1.0), R574-S587 (PAE: 1.0), R574-D569 (PAE: 1.0), R574-I588 (PAE: 1.0) R574-D589 (PDBs: 1IJQ, 3M0C) R574-D589 (PAE: 1.0) 8.8600 -1.0025 6.3463 3.5132 575 L Leucine Aliphatic Beta strand B (undefined) E (parallel sheets) 0 -91.0 144.3 95.88 Low-density lipoprotein receptor LDL-receptor class B 5 Extracellular 131 3.8 L575-I588 (PDBs: 1IJQ, 3M0C) L575-I588 (PAE: 1.0) L575-S587 (PDBs: 1IJQ, 3M0C), L575-I588 (PDBs: 1IJQ, 3M0C), L575-T567 (PDBs: 1IJQ, 3M0C), L575-L568 (PDBs: 1IJQ, 3M0C) L575-S587 (PAE: 1.0), L575-I588 (PAE: 1.0), L575-T567 (PAE: 1.0), L575-L568 (PAE: 1.0) 10.2000 0.3196 6.3673 3.5132 576 Y Tyrosine Aromatic Beta strand B (undefined) E (parallel sheets) 2 -125.4 137.3 96.75 Low-density lipoprotein receptor LDL-receptor class B 5 Extracellular 181 -1.3 Y576-T567 (PDBs: 1IJQ, 3M0C), Y576-R633 (PDBs: 1IJQ, 3M0C) Y576-T567 (PAE: 1.0), Y576-R633 (PAE: 2.0) Y576-L611 (PDBs: 1IJQ, 3M0C), Y576-S586 (PDBs: 1IJQ, 3M0C), Y576-S587 (PDBs: 1IJQ, 3M0C), Y576-T567 (PDBs: 1IJQ, 3M0C), Y576-I566 (PDBs: 1IJQ, 3M0C) Y576-L611 (PAE: 1.5), Y576-S586 (PAE: 1.0), Y576-S587 (PAE: 1.0), Y576-T567 (PAE: 1.0), Y576-I566 (PAE: 1.0) 11.2800 1.3991 6.3673 3.5132 577 W Tryptophan Aromatic Beta strand B (undefined) E (parallel sheets) 1 -141.4 159.2 97.62 Low-density lipoprotein receptor LDL-receptor class B 5 Extracellular 204 -0.9 W577-S586 (PDBs: 1IJQ, 3M0C) W577-S586 (PAE: 1.0) W577-L611 (PDBs: 1IJQ, 3M0C), W577-S586 (PDBs: 1IJQ, 3M0C), W577-I585 (PDBs: 1IJQ, 3M0C), W577-G565 (PDBs: 1IJQ, 3M0C), W577-S587 (PDBs: 1IJQ, 3M0C) W577-L611 (PAE: 2.0), W577-S586 (PAE: 1.0), W577-I585 (PAE: 1.0), W577-G565 (PAE: 1.0), W577-S587 (PAE: 1.0) 11.2800 1.3991 6.3673 3.5132 578 V Valine Aliphatic Beta strand B (undefined) E (parallel sheets) 0 -109.9 138.5 97.12 Low-density lipoprotein receptor LDL-receptor class B 5 Extracellular 117 4.2 V578-G565 (PDBs: 1IJQ, 3M0C), V578-N564 (PDBs: 1IJQ, 3M0C) V578-G565 (PAE: 1.5), V578-N564 (PAE: 2.0) V578-S584 (PDBs: 1IJQ, 3M0C), V578-I585 (PDBs: 1IJQ), V578-G565 (PDBs: 1IJQ, 3M0C), V578-N564 (PDBs: 1IJQ, 3M0C), V578-P608 (PDBs: 1IJQ, 3M0C), V578-L611 (PDBs: 1IJQ, 3M0C), V578-F609 (PDBs: 1IJQ, 3M0C), V578-P563 (PDBs: 1IJQ, 3M0C) V578-S584 (PAE: 1.0), V578-G565 (PAE: 1.5), V578-N564 (PAE: 2.0), V578-P608 (PAE: 1.5), V578-F609 (PAE: 1.5), V578-P563 (PAE: 1.0) 10.2000 0.3196 6.3673 3.5132 579 D Aspartic Acid Negatively-charged Beta strand B (undefined) E (parallel sheets) 0 -115.4 115.7 96.31 Low-density lipoprotein receptor LDL-receptor class B 5 Extracellular 132 -3.5 D579-W562 (PDBs: 1IJQ, 3M0C), D579-H583 (PDBs: 1IJQ, 3M0C), D579-S584 (PDBs: 1IJQ, 3M0C), D579-Q561 (PDBs: 1IJQ, 3M0C) D579-W562 (PAE: 1.0), D579-S584 (PAE: 1.0), D579-Q561 (PAE: 1.0) D579-P608 (PDBs: 1IJQ, 3M0C), D579-H583 (PDBs: 1IJQ, 3M0C), D579-Q561 (PDBs: 1IJQ, 3M0C), D579-W562 (PDBs: 1IJQ, 3M0C), D579-S584 (PDBs: 1IJQ, 3M0C), D579-I560 (PDBs: 1IJQ, 3M0C) D579-H583 (PAE: 1.0), D579-Q561 (PAE: 1.0), D579-W562 (PAE: 1.0), D579-S584 (PAE: 1.0), D579-I560 (PAE: 1.0) 10.7400 0.8622 6.3673 3.5132 580 S Serine Polar/Neutral Turn C (loop/coil) T (turn) 3 -76.8 -22.4 93.31 Low-density lipoprotein receptor LDL-receptor class B 5 Extracellular 105 -0.8 Pocket 1: Mean pLDDT: 79.96, Volume: 1865.68 ų, Druggability score: 0.58 0.5753 Pocket 4: Pocket prob: 0.15%, Mean pLDDT: 84.37 0.15 S580-W562 (PDBs: 1IJQ, 3M0C), S580-N564 (PDBs: 1IJQ, 3M0C), S580-P608 (PDBs: 1IJQ, 3M0C) S580-W562 (PAE: 1.5), S580-P608 (PAE: 1.5) S580-W562 (PDBs: 1IJQ, 3M0C), S580-N564 (PDBs: 1IJQ, 3M0C), S580-P608 (PDBs: 1IJQ, 3M0C), S580-H607 (PDBs: 1IJQ, 3M0C) S580-A606 (PAE: 2.0), S580-N564 (PAE: 2.5), S580-W562 (PAE: 1.5), S580-P608 (PAE: 1.5), S580-H607 (PAE: 1.0) 8.2000 -1.0776 5.7623 3.5132 581 K Lysine Positively-charged Turn C (loop/coil) T (turn) 24 -89.9 -33.0 85.75 Low-density lipoprotein receptor LDL-receptor class B 5 Extracellular 147 -3.9 Pocket 1: Mean pLDDT: 79.96, Volume: 1865.68 ų, Druggability score: 0.58 0.5753 Pocket 4: Pocket prob: 0.15%, Mean pLDDT: 84.37 0.15 K581-D217 (PAE: 26.0) K581-W562 (PDBs: 1IJQ, 3M0C), K581-Q561 (PDBs: 1IJQ, 3M0C) K581-W562 (PAE: 1.0) K581-D221 (PAE: 24.0), K581-D217 (PAE: 26.0) 7.3200 0.3020 3.5011 3.5132 582 L Leucine Aliphatic Turn C (loop/coil) T (turn) 65 -83.6 -1.1 90.44 Low-density lipoprotein receptor LDL-receptor class B 5 Extracellular 131 3.8 5.2300 0.3196 1.3946 3.5132 583 H Histidine Positively-charged Turn C (loop/coil) T (turn) 41 49.4 39.5 92.31 Low-density lipoprotein receptor LDL-receptor class B 5 Extracellular 155 -3.2 Pocket 1: Mean pLDDT: 79.96, Volume: 1865.68 ų, Druggability score: 0.58 0.5753 Pocket 4: Pocket prob: 0.15%, Mean pLDDT: 84.37 0.15 H583-D601 (PDBs: 1IJQ, 3M0C), H583-D579 (PDBs: 1IJQ, 3M0C) H583-D601 (PAE: 1.5), H583-L605 (PAE: 1.5) H583-D601 (PDBs: 1IJQ, 3M0C), H583-L605 (PDBs: 1IJQ, 3M0C), H583-E602 (PDBs: 1IJQ, 3M0C), H583-E600 (PDBs: 1IJQ, 3M0C), H583-D579 (PDBs: 1IJQ, 3M0C), H583-A606 (PDBs: 1IJQ, 3M0C) H583-D601 (PAE: 1.5), H583-L605 (PAE: 1.5), H583-E600 (PAE: 1.0), H583-A606 (PAE: 2.0), H583-D579 (PAE: 1.0) 7.5800 -1.0025 5.0713 3.5132 584 S Serine Polar/Neutral Beta strand B (undefined) E (parallel sheets) 3 -131.1 149.5 94.75 Low-density lipoprotein receptor LDL-receptor class B 5 Extracellular 105 -0.8 S584-D579 (PDBs: 1IJQ, 3M0C) S584-D579 (PAE: 1.0) S584-E600 (PDBs: 1IJQ), S584-L605 (PDBs: 1IJQ, 3M0C), S584-L599 (PDBs: 1IJQ, 3M0C), S584-D579 (PDBs: 1IJQ, 3M0C), S584-V578 (PDBs: 1IJQ, 3M0C) S584-D579 (PAE: 1.0), S584-E600 (PAE: 2.0), S584-V578 (PAE: 1.0), S584-L599 (PAE: 1.5) 8.8000 -1.0776 6.3673 3.5132 585 I Isoleucine Aliphatic Beta strand B (undefined) E (parallel sheets) 0 -109.5 126.7 96.75 Low-density lipoprotein receptor LDL-receptor class B 5 Extracellular 131 4.5 I585-L599 (PDBs: 1IJQ, 3M0C), I585-I598 (PDBs: 1IJQ, 3M0C) I585-L599 (PAE: 1.0), I585-I598 (PAE: 1.0) I585-L599 (PDBs: 1IJQ, 3M0C), I585-W577 (PDBs: 1IJQ, 3M0C), I585-T597 (PDBs: 1IJQ, 3M0C), I585-I598 (PDBs: 1IJQ, 3M0C), I585-V578 (PDBs: 1IJQ) I585-T597 (PAE: 1.0), I585-L599 (PAE: 1.0), I585-W577 (PAE: 1.0), I585-I598 (PAE: 1.0) 10.2000 0.3196 6.3673 3.5132 586 S Serine Polar/Neutral Beta strand B (undefined) E (parallel sheets) 0 -125.1 158.1 95.69 Low-density lipoprotein receptor LDL-receptor class B 5 Extracellular 105 -0.8 S586-W577 (PDBs: 1IJQ, 3M0C) S586-W577 (PAE: 1.0) S586-K596 (PDBs: 1IJQ, 3M0C), S586-Y576 (PDBs: 1IJQ, 3M0C), S586-W577 (PDBs: 1IJQ, 3M0C) S586-K596 (PAE: 1.0), S586-T597 (PAE: 1.0), S586-Y576 (PAE: 1.0), S586-W577 (PAE: 1.0) 8.8000 -1.0776 6.3673 3.5132 587 S Serine Polar/Neutral Beta strand B (undefined) E (parallel sheets) 1 -130.6 153.3 94.94 Low-density lipoprotein receptor LDL-receptor class B 5 Extracellular 105 -0.8 S587-R574 (PDBs: 1IJQ, 3M0C), S587-K596 (PDBs: 1IJQ, 3M0C) S587-K596 (PAE: 1.5) S587-R595 (PDBs: 1IJQ, 3M0C), S587-I598 (PDBs: 1IJQ, 3M0C), S587-K596 (PDBs: 1IJQ, 3M0C), S587-R574 (PDBs: 1IJQ, 3M0C), S587-W577 (PDBs: 1IJQ, 3M0C), S587-L575 (PDBs: 1IJQ, 3M0C), S587-Y576 (PDBs: 1IJQ, 3M0C) S587-R595 (PAE: 1.0), S587-I598 (PAE: 1.0), S587-K596 (PAE: 1.5), S587-R574 (PAE: 1.0), S587-W577 (PAE: 1.0), S587-L575 (PAE: 1.0), S587-Y576 (PAE: 1.0) 8.8000 -1.0776 6.3673 3.5132 588 I Isoleucine Aliphatic Beta strand B (undefined) E (parallel sheets) 6 -155.4 148.5 94.94 Low-density lipoprotein receptor LDL-receptor class B 5 Extracellular 131 4.5 I588-L575 (PDBs: 1IJQ, 3M0C) I588-L575 (PAE: 1.0) I588-L575 (PDBs: 1IJQ, 3M0C), I588-G593 (PDBs: 1IJQ, 3M0C), I588-R595 (PDBs: 1IJQ, 3M0C), I588-R574 (PDBs: 1IJQ, 3M0C), I588-G592 (PDBs: 1IJQ, 3M0C) I588-L575 (PAE: 1.0), I588-G593 (PAE: 2.0), I588-G592 (PAE: 2.0), I588-R574 (PAE: 1.0) 10.2000 0.3196 6.3673 3.5132 589 D Aspartic Acid Negatively-charged Beta strand B (undefined) E (parallel sheets) 30 -71.2 152.1 93.06 Low-density lipoprotein receptor LDL-receptor class B 5 Extracellular 132 -3.5 D589-N594 (PDBs: 1IJQ), D589-R574 (PDBs: 1IJQ, 3M0C), D589-G593 (PDBs: 1IJQ, 3M0C) D589-N594 (PAE: 2.0), D589-R574 (PAE: 1.0), D589-G593 (PAE: 2.0) D589-G573 (PDBs: 1IJQ, 3M0C), D589-N594 (PDBs: 1IJQ, 3M0C), D589-R574 (PDBs: 1IJQ, 3M0C), D589-G593 (PDBs: 1IJQ, 3M0C) D589-G573 (PAE: 1.5), D589-N594 (PAE: 2.0), D589-R574 (PAE: 1.0), D589-G593 (PAE: 2.0) D589-R574 (PDBs: 1IJQ, 3M0C) D589-R574 (PAE: 1.0) 10.7200 0.8622 6.3463 3.5132 590 V Valine Aliphatic C (loop/coil) T (turn) 32 -62.3 -10.6 92.75 Low-density lipoprotein receptor LDL-receptor class B 5 Extracellular 117 4.2 V590-G573 (PDBs: 1IJQ, 3M0C), V590-K544 (PDBs: 1IJQ, 3M0C) V590-G573 (PAE: 2.0), V590-K544 (PAE: 2.0) V590-G573 (PDBs: 1IJQ, 3M0C) V590-G573 (PAE: 2.0) 8.9000 0.3196 5.0713 3.5132 591 N Asparagine Polar/Neutral C (loop/coil) T (turn) 87 -92.6 -6.9 89.5 Low-density lipoprotein receptor LDL-receptor class B 5 Extracellular 132 -3.5 N591-L555 (PDBs: 1IJQ, 3M0C) N591-L555 (PAE: 2.5) 1.9800 -1.0776 -0.4566 3.5132 592 G Glycine Special, lack of a chiral carbon, smallest amino acid, very flexible C (loop/coil) S (bend) 23 91.1 3.4 89.56 Low-density lipoprotein receptor LDL-receptor class B 5 Extracellular 75 -0.4 dbSNP: rs137929307; Variant type: LP/P; AA change: Gly592Glu; PTM type: Ubiquitylation; PTM morphology: NG*GNRkTILED; Var class: II G592-L555 (PDBs: 1IJQ, 3M0C), G592-I588 (PDBs: 1IJQ, 3M0C) G592-L555 (PAE: 2.5), G592-I588 (PAE: 2.0) 8.2400 1.8506 2.8731 3.5132 593 G Glycine Special, lack of a chiral carbon, smallest amino acid, very flexible C (loop/coil) C (loop/coil) 8 -83.8 169.2 88.88 Low-density lipoprotein receptor LDL-receptor class B 5 Extracellular 75 -0.4 G593-D589 (PDBs: 1IJQ, 3M0C) G593-D589 (PAE: 2.0) G593-D589 (PDBs: 1IJQ, 3M0C), G593-I588 (PDBs: 1IJQ, 3M0C) G593-D589 (PAE: 2.0), G593-I588 (PAE: 2.0), G593-N825 (PAE: 25.0) 7.3800 1.8506 2.0153 3.5132 594 N Asparagine Polar/Neutral C (loop/coil) S (bend) 79 47.8 44.0 88.31 Low-density lipoprotein receptor LDL-receptor class B 5 Extracellular 132 -3.5 N594-D589 (PDBs: 1IJQ), N594-R574 (PDBs: 1IJQ, 3M0C) N594-D589 (PAE: 2.0), N594-R574 (PAE: 2.0) N594-D589 (PDBs: 1IJQ, 3M0C) N594-D589 (PAE: 2.0) 6.2600 -1.0776 3.8231 3.5132 595 R Arginine Positively-charged C (loop/coil) C (loop/coil) 80 -60.8 130.7 92.88 Low-density lipoprotein receptor LDL-receptor class B 5 Extracellular 175 -4.5 dbSNP: rs373371572; Variant type: LP/P; AA change: Arg595Trp; PTM type: Ubiquitylation; PTM morphology: NGGNR*kTILED; Var class: II R595-N559 (PDBs: 1IJQ, 3M0C), R595-E558 (PDBs: 1IJQ, 3M0C) R595-N559 (PAE: 2.5), R595-E558 (PAE: 2.5) R595-S587 (PDBs: 1IJQ, 3M0C), R595-I588 (PDBs: 1IJQ, 3M0C) R595-S587 (PAE: 1.0) 4.2500 -1.0025 1.7378 3.5132 596 K Lysine Positively-charged Beta strand B (undefined) E (parallel sheets) 54 -136.2 129.6 90.69 Low-density lipoprotein receptor LDL-receptor class B 5 Extracellular 147 -3.9 Morphology: DVNGGNRkTILEDEk; Domain: Ldl_recept_b K596-S587 (PDBs: 1IJQ, 3M0C) K596-S587 (PAE: 1.5), K596-D362 (PAE: 7.0), K596-L634 (PAE: 2.0) K596-S587 (PDBs: 1IJQ, 3M0C), K596-S586 (PDBs: 1IJQ, 3M0C) K596-S587 (PAE: 1.5), K596-S586 (PAE: 1.0) K596-D362 (PAE: 7.0) 10.4400 0.3020 6.6238 3.5132 597 T Threonine Polar/Neutral Beta strand B (undefined) E (parallel sheets) 61 -78.4 124.6 93.12 Low-density lipoprotein receptor LDL-receptor class B 5 Extracellular 119 -0.7 T597-I585 (PDBs: 1IJQ, 3M0C) T597-S586 (PAE: 1.0), T597-I585 (PAE: 1.0) 4.7000 -1.6869 2.8752 3.5132 598 I Isoleucine Aliphatic Beta strand B (undefined) E (parallel sheets) 14 -92.9 -47.2 93.06 Low-density lipoprotein receptor LDL-receptor class B 5 Extracellular 131 4.5 I598-I585 (PDBs: 1IJQ, 3M0C) I598-I585 (PAE: 1.0) I598-S587 (PDBs: 1IJQ, 3M0C), I598-T635 (PDBs: 1IJQ, 3M0C), I598-R633 (PDBs: 1IJQ, 3M0C), I598-G636 (PDBs: 1IJQ, 3M0C), I598-I585 (PDBs: 1IJQ, 3M0C), I598-L634 (PDBs: 1IJQ, 3M0C) I598-S587 (PAE: 1.0), I598-T635 (PAE: 2.5), I598-R633 (PAE: 2.0), I598-G636 (PAE: 2.0), I598-I585 (PAE: 1.0) 9.5100 0.3196 5.6763 3.5132 599 L Leucine Aliphatic Beta strand B (undefined) E (parallel sheets) 25 -147.5 132.8 93.44 Low-density lipoprotein receptor LDL-receptor class B 5 Extracellular 131 3.8 dbSNP: rs879255025; Variant type: US; AA change: Leu599Ser; PTM type: Ubiquitylation; PTM morphology: NGGNRkTIL*ED; Var class: II&rs879255025 L599-I585 (PDBs: 1IJQ, 3M0C) L599-I585 (PAE: 1.0) L599-S584 (PDBs: 1IJQ, 3M0C), L599-G636 (PDBs: 1IJQ, 3M0C), L599-I585 (PDBs: 1IJQ, 3M0C) L599-S584 (PAE: 1.5), L599-G636 (PAE: 3.0), L599-I585 (PAE: 1.0) 9.5100 0.3196 5.6763 3.5132 600 E Glutamic Acid Negatively-charged Beta strand B (undefined) E (parallel sheets) 137 -122.4 114.7 92.94 Low-density lipoprotein receptor LDL-receptor class B 5 Extracellular 146 -3.5 E600-H583 (PDBs: 1IJQ, 3M0C), E600-S584 (PDBs: 1IJQ) E600-H583 (PAE: 1.0), E600-S584 (PAE: 2.0) 4.1200 -0.4423 1.0461 3.5132 601 D Aspartic Acid Negatively-charged C (loop/coil) C (loop/coil) 27 -149.9 97.6 90.44 Low-density lipoprotein receptor LDL-receptor class B 5 Extracellular 132 -3.5 dbSNP: rs753707206; Variant type: US; AA change: Asp601His; PTM type: Ubiquitylation; PTM morphology: NGGNRkTILED*; Var class: II&rs753707206 D601-H583 (PDBs: 1IJQ, 3M0C), D601-L605 (PDBs: 1IJQ, 3M0C) D601-H583 (PAE: 1.5), D601-L605 (PAE: 2.0) D601-H583 (PDBs: 1IJQ, 3M0C), D601-L605 (PDBs: 1IJQ, 3M0C) D601-H583 (PAE: 1.5), D601-L605 (PAE: 2.0) D601-R604 (PAE: 2.0) 9.5700 0.8622 5.1904 3.5132 602 E Glutamic Acid Negatively-charged Turn C (loop/coil) T (turn) 114 -54.7 -27.8 88.75 Low-density lipoprotein receptor LDL-receptor class B 5 Extracellular 146 -3.5 Pocket 4: Pocket prob: 0.15%, Mean pLDDT: 84.37 0.15 E602-A606 (PDBs: 1IJQ, 3M0C), E602-H583 (PDBs: 1IJQ, 3M0C) E602-A606 (PAE: 2.0) 4.4400 -0.4423 1.3725 3.5132 603 K Lysine Positively-charged Turn C (loop/coil) T (turn) 173 -84.6 -45.0 86.25 Low-density lipoprotein receptor LDL-receptor class B 5 Extracellular 147 -3.9 Morphology: kTILEDEkRLAHPFS; Domain: Ldl_recept_b K603-N625 (PDBs: 1IJQ, 3M0C) K603-N625 (PAE: 2.0) 5.2100 0.3020 1.3910 3.5132 604 R Arginine Positively-charged Turn C (loop/coil) T (turn) 113 -95.1 -14.3 89.44 Low-density lipoprotein receptor LDL-receptor class B 5 Extracellular 175 -4.5 R604-W620 (PDBs: 1IJQ, 3M0C) R604-W620 (PAE: 1.5) R604-N625 (PDBs: 1IJQ, 3M0C), R604-D622 (PDBs: 1IJQ, 3M0C), R604-F629 (PDBs: 1IJQ, 3M0C) R604-D622 (PAE: 2.0) R604-D601 (PAE: 2.0) 7.3000 -1.0025 4.7878 3.5132 605 L Leucine Aliphatic Turn C (loop/coil) S (bend) 0 -119.7 41.4 91.38 Low-density lipoprotein receptor LDL-receptor class B 5 Extracellular 131 3.8 L605-D601 (PDBs: 1IJQ, 3M0C) L605-D601 (PAE: 2.0), L605-H583 (PAE: 1.5) L605-S584 (PDBs: 1IJQ, 3M0C), L605-D622 (PDBs: 1IJQ, 3M0C), L605-D601 (PDBs: 1IJQ, 3M0C), L605-H583 (PDBs: 1IJQ, 3M0C) L605-D622 (PAE: 1.5), L605-D601 (PAE: 2.0), L605-H583 (PAE: 1.5) 10.2000 0.3196 6.3652 3.5132 606 A Alanine Aliphatic Beta strand C (loop/coil) S (bend) 16 -63.5 -43.3 88.81 Low-density lipoprotein receptor LDL-receptor class B 5 Extracellular 89 1.8 Pocket 1: Mean pLDDT: 79.96, Volume: 1865.68 ų, Druggability score: 0.58 0.5753 Pocket 4: Pocket prob: 0.15%, Mean pLDDT: 84.37 0.15 A606-H583 (PDBs: 1IJQ, 3M0C), A606-N625 (PDBs: 1IJQ), A606-D622 (PDBs: 1IJQ, 3M0C), A606-E602 (PDBs: 1IJQ, 3M0C), A606-I624 (PDBs: 1IJQ, 3M0C) A606-S580 (PAE: 2.0), A606-H583 (PAE: 2.0), A606-E602 (PAE: 2.0), A606-D622 (PAE: 2.0) 9.9000 0.7136 5.6742 3.5132 607 H Histidine Positively-charged Beta strand C (loop/coil) S (bend) 39 -150.6 71.6 91.5 Low-density lipoprotein receptor LDL-receptor class B 5 Extracellular 155 -3.2 Pocket 1: Mean pLDDT: 79.96, Volume: 1865.68 ų, Druggability score: 0.58 0.5753 Pocket 2: Pocket prob: 0.32%, Mean pLDDT: 89.46 0.32 H607-D622 (PDBs: 1IJQ, 3M0C), H607-I623 (PDBs: 1IJQ, 3M0C) H607-D622 (PAE: 1.0), H607-I623 (PAE: 1.5) H607-S580 (PDBs: 1IJQ, 3M0C), H607-D622 (PDBs: 1IJQ, 3M0C), H607-I624 (PDBs: 1IJQ, 3M0C), H607-I623 (PDBs: 1IJQ, 3M0C) H607-S580 (PAE: 1.0), H607-D622 (PAE: 1.0), H607-I624 (PAE: 1.5), H607-I623 (PAE: 1.5) 8.1800 -1.0025 5.6742 3.5132 608 P Proline Special, No backbone hydrogen Beta strand B (undefined) E (parallel sheets) 0 -65.6 142.8 95.19 Low-density lipoprotein receptor LDL-receptor class B 5 Extracellular 115 -1.6 dbSNP: rs879255034; Variant type: LP/P; AA change: Pro608Ser; PTM type: Ubiquitylation; PTM morphology: ILEDEkRLAHP*; Var class: II P608-S580 (PDBs: 1IJQ, 3M0C) P608-N564 (PAE: 2.0), P608-S580 (PAE: 1.5) P608-V578 (PDBs: 1IJQ, 3M0C), P608-N564 (PDBs: 1IJQ, 3M0C), P608-D579 (PDBs: 1IJQ, 3M0C), P608-T621 (PDBs: 1IJQ, 3M0C), P608-S580 (PDBs: 1IJQ, 3M0C), P608-D622 (PDBs: 1IJQ, 3M0C) P608-V578 (PAE: 1.5), P608-N564 (PAE: 2.0), P608-T621 (PAE: 1.0), P608-S580 (PAE: 1.5), P608-D622 (PAE: 1.0) 8.6000 0.5462 4.5382 3.5132 609 F Phenylalanine Aromatic Beta strand B (undefined) E (parallel sheets) 14 -121.9 -51.2 93.75 Low-density lipoprotein receptor LDL-receptor class B 5 Extracellular 165 2.8 Pocket 5: Mean pLDDT: 99.95, Volume: 686.83 ų, Druggability score: 0.04 0.0421 Pocket 1: Pocket prob: 0.69%, Mean pLDDT: 95.57 0.69 F609-T621 (PDBs: 1IJQ, 3M0C), F609-G565 (PDBs: 1IJQ, 3M0C) F609-T621 (PAE: 1.0) F609-E650 (PDBs: 1IJQ, 3M0C), F609-N564 (PDBs: 1IJQ, 3M0C), F609-V578 (PDBs: 1IJQ, 3M0C), F609-G565 (PDBs: 1IJQ, 3M0C), F609-T621 (PDBs: 1IJQ, 3M0C), F609-I623 (PDBs: 1IJQ, 3M0C) F609-E650 (PAE: 2.0), F609-N564 (PAE: 1.5), F609-V578 (PAE: 1.5), F609-G565 (PAE: 2.0), F609-T621 (PAE: 1.0), F609-I623 (PAE: 2.0) 10.5900 1.3991 5.6763 3.5132 610 S Serine Polar/Neutral Beta strand B (undefined) E (parallel sheets) 6 -126.9 160.3 95.94 Low-density lipoprotein receptor LDL-receptor class B 5 Extracellular 105 -0.8 Pocket 5: Mean pLDDT: 99.95, Volume: 686.83 ų, Druggability score: 0.04 0.0421 Pocket 1: Pocket prob: 0.69%, Mean pLDDT: 95.57 0.69 S610-T621 (PDBs: 1IJQ, 3M0C), S610-D651 (PDBs: 1IJQ, 3M0C), S610-M652 (PDBs: 1IJQ, 3M0C) S610-T621 (PAE: 1.5), S610-D651 (PAE: 2.0), S610-M652 (PAE: 3.0) S610-W620 (PDBs: 1IJQ, 3M0C), S610-E650 (PDBs: 1IJQ, 3M0C), S610-T621 (PDBs: 1IJQ, 3M0C), S610-D651 (PDBs: 1IJQ, 3M0C), S610-M652 (PDBs: 1IJQ, 3M0C) S610-W620 (PAE: 1.5), S610-E650 (PAE: 2.0), S610-T621 (PAE: 1.5), S610-D651 (PAE: 2.0), S610-M652 (PAE: 3.0) 8.8000 -1.0776 6.3673 3.5132 611 L Leucine Aliphatic Beta strand B (undefined) E (parallel sheets) 3 -145.8 153.8 96.06 Low-density lipoprotein receptor LDL-receptor class B 5 Extracellular 131 3.8 Pocket 5: Mean pLDDT: 99.95, Volume: 686.83 ų, Druggability score: 0.04 0.0421 Pocket 1: Pocket prob: 0.69%, Mean pLDDT: 95.57 0.69 L611-V578 (PDBs: 1IJQ, 3M0C), L611-W577 (PDBs: 1IJQ, 3M0C), L611-F619 (PDBs: 1IJQ, 3M0C), L611-G565 (PDBs: 1IJQ, 3M0C), L611-I566 (PDBs: 1IJQ, 3M0C), L611-T567 (PDBs: 1IJQ, 3M0C), L611-Y576 (PDBs: 1IJQ, 3M0C) L611-W577 (PAE: 2.0), L611-F619 (PAE: 1.0), L611-G565 (PAE: 2.0), L611-I566 (PAE: 2.5), L611-T567 (PAE: 2.0), L611-Y576 (PAE: 1.5) 6.5200 0.3196 2.6906 3.5132 612 A Alanine Aliphatic Beta strand B (undefined) E (parallel sheets) 3 -138.2 153.3 96.5 Low-density lipoprotein receptor LDL-receptor class B 5 Extracellular 89 1.8 Pocket 5: Mean pLDDT: 99.95, Volume: 686.83 ų, Druggability score: 0.04 0.0421 Pocket 1: Pocket prob: 0.69%, Mean pLDDT: 95.57 0.69 A612-F619 (PDBs: 1IJQ, 3M0C) A612-F619 (PAE: 1.0) A612-V618 (PDBs: 1IJQ, 3M0C), A612-F619 (PDBs: 1IJQ, 3M0C) A612-V618 (PAE: 1.0), A612-F619 (PAE: 1.0) 10.5900 0.7136 6.3673 3.5132 613 V Valine Aliphatic Beta strand B (undefined) E (parallel sheets) 16 -123.9 136.2 94.19 Low-density lipoprotein receptor LDL-receptor class B 5 Extracellular 117 4.2 Pocket 5: Mean pLDDT: 99.95, Volume: 686.83 ų, Druggability score: 0.04 0.0421 Pocket 1: Pocket prob: 0.69%, Mean pLDDT: 95.57 0.69 V613-L654 (PDBs: 1IJQ), V613-K617 (PDBs: 1IJQ, 3M0C) V613-T567 (PAE: 1.5), V613-L654 (PAE: 1.5), V613-K617 (PAE: 1.0) 5.8300 0.3196 1.9996 3.5132 614 F Phenylalanine Aromatic Beta strand B (undefined) E (parallel sheets) 15 -148.2 138.1 91.75 Low-density lipoprotein receptor LDL-receptor class B 5 Extracellular 165 2.8 Pocket 5: Pocket prob: 0.12%, Mean pLDDT: 87.58 0.12 F614-L654 (PDBs: 1IJQ, 3M0C) F614-L654 (PAE: 2.0) 6.9100 1.3991 1.9996 3.5132 615 E Glutamic Acid Negatively-charged C (loop/coil) T (turn) 36 53.0 -119.4 87.88 Low-density lipoprotein receptor LDL-receptor class B 5 Extracellular 146 -3.5 Pocket 5: Pocket prob: 0.12%, Mean pLDDT: 87.58 0.12 E615-R633 (PDBs: 1IJQ) E615-R633 (PAE: 2.0), E615-A394 (PAE: 3.5) E615-C392 (PAE: 3.5), E615-A394 (PAE: 3.5), E615-K393 (PAE: 3.5) 6.3100 -0.4423 3.2422 3.5132 616 D Aspartic Acid Negatively-charged C (loop/coil) T (turn) 32 -100.0 6.5 88.0 Low-density lipoprotein receptor LDL-receptor class B 6 Extracellular 132 -3.5 D616-R633 (PDBs: 1IJQ, 3M0C) D616-R633 (PAE: 2.0) D616-R633 (PDBs: 1IJQ, 3M0C), D616-N632 (PDBs: 1IJQ, 3M0C) D616-A391 (PAE: 4.0), D616-R633 (PAE: 2.0), D616-N632 (PAE: 1.5) 9.7200 0.8622 5.3487 3.5132 617 K Lysine Positively-charged Beta strand B (undefined) E (parallel sheets) 86 -116.9 144.5 92.06 Low-density lipoprotein receptor LDL-receptor class B 6 Extracellular 147 -3.9 K617-R633 (PDBs: 1IJQ, 3M0C), K617-V613 (PDBs: 1IJQ, 3M0C), K617-A631 (PDBs: 1IJQ, 3M0C) K617-V613 (PAE: 1.0), K617-A631 (PAE: 1.0) K617-D638 (PDBs: 1IJQ) 5.5300 0.3020 1.7161 3.5132 618 V Valine Aliphatic Beta strand B (undefined) E (parallel sheets) 1 -107.3 140.7 95.12 Low-density lipoprotein receptor LDL-receptor class B 6 Extracellular 117 4.2 V618-A631 (PDBs: 1IJQ, 3M0C) V618-A631 (PAE: 1.0) V618-A612 (PDBs: 1IJQ, 3M0C), V618-S630 (PDBs: 1IJQ, 3M0C), V618-R633 (PDBs: 1IJQ, 3M0C), V618-A631 (PDBs: 1IJQ, 3M0C) V618-A612 (PAE: 1.0), V618-S630 (PAE: 1.0), V618-A631 (PAE: 1.0) 10.2000 0.3196 6.3673 3.5132 619 F Phenylalanine Aromatic Beta strand B (undefined) E (parallel sheets) 4 -121.9 139.3 96.75 Low-density lipoprotein receptor LDL-receptor class B 6 Extracellular 165 2.8 F619-A612 (PDBs: 1IJQ, 3M0C) F619-A612 (PAE: 1.0) F619-F629 (PDBs: 1IJQ, 3M0C), F619-A612 (PDBs: 1IJQ, 3M0C), F619-S630 (PDBs: 1IJQ, 3M0C), F619-L611 (PDBs: 1IJQ, 3M0C) F619-F629 (PAE: 1.0), F619-A612 (PAE: 1.0), F619-S630 (PAE: 1.0), F619-L611 (PAE: 1.0) 11.2800 1.3991 6.3673 3.5132 620 W Tryptophan Aromatic Beta strand B (undefined) E (parallel sheets) 0 -142.6 152.3 97.19 Low-density lipoprotein receptor LDL-receptor class B 6 Extracellular 204 -0.9 W620-R604 (PDBs: 1IJQ, 3M0C), W620-F629 (PDBs: 1IJQ, 3M0C) W620-R604 (PAE: 1.5), W620-F629 (PAE: 1.0) W620-S630 (PDBs: 1IJQ), W620-F629 (PDBs: 1IJQ, 3M0C), W620-I628 (PDBs: 1IJQ, 3M0C), W620-S610 (PDBs: 1IJQ, 3M0C), W620-M652 (PDBs: 1IJQ, 3M0C) W620-S630 (PAE: 1.5), W620-F629 (PAE: 1.0), W620-I628 (PAE: 1.0), W620-S610 (PAE: 1.5), W620-M652 (PAE: 2.0) 11.2800 1.3991 6.3673 3.5132 621 T Threonine Polar/Neutral Beta strand B (undefined) E (parallel sheets) 0 -94.0 144.3 96.62 Low-density lipoprotein receptor LDL-receptor class B 6 Extracellular 119 -0.7 T621-F609 (PDBs: 1IJQ, 3M0C), T621-S610 (PDBs: 1IJQ, 3M0C), T621-P649 (PDBs: 1IJQ, 3M0C) T621-F609 (PAE: 1.0), T621-S610 (PAE: 1.5), T621-P649 (PAE: 2.0) T621-P649 (PDBs: 1IJQ, 3M0C), T621-A627 (PDBs: 1IJQ, 3M0C), T621-F609 (PDBs: 1IJQ, 3M0C), T621-S610 (PDBs: 1IJQ, 3M0C), T621-P608 (PDBs: 1IJQ, 3M0C), T621-I628 (PDBs: 1IJQ, 3M0C) T621-M652 (PAE: 1.5), T621-I628 (PAE: 1.0), T621-P649 (PAE: 2.0), T621-A627 (PAE: 1.0), T621-E650 (PAE: 2.0), T621-F609 (PAE: 1.0), T621-S610 (PAE: 1.5), T621-P608 (PAE: 1.0) 8.1900 -1.6869 6.3673 3.5132 622 D Aspartic Acid Negatively-charged Beta strand B (undefined) E (parallel sheets) 0 -131.0 128.1 95.38 Low-density lipoprotein receptor LDL-receptor class B 6 Extracellular 132 -3.5 D622-A627 (PDBs: 1IJQ, 3M0C), D622-H607 (PDBs: 1IJQ, 3M0C), D622-E626 (PDBs: 1IJQ, 3M0C) D622-A627 (PAE: 1.0), D622-H607 (PAE: 1.0) D622-P649 (PDBs: 1IJQ), D622-E626 (PDBs: 1IJQ, 3M0C), D622-H607 (PDBs: 1IJQ, 3M0C), D622-L605 (PDBs: 1IJQ, 3M0C), D622-A606 (PDBs: 1IJQ, 3M0C), D622-R604 (PDBs: 1IJQ, 3M0C), D622-A627 (PDBs: 1IJQ, 3M0C), D622-P608 (PDBs: 1IJQ, 3M0C) D622-P649 (PAE: 2.0), D622-E626 (PAE: 1.0), D622-H607 (PAE: 1.0), D622-L605 (PAE: 1.5), D622-A606 (PAE: 2.0), D622-R604 (PAE: 2.0), D622-A627 (PAE: 1.0), D622-P608 (PAE: 1.0) 10.7400 0.8622 6.3673 3.5132 623 I Isoleucine Aliphatic Turn C (loop/coil) T (turn) 50 -76.4 -43.0 92.12 Low-density lipoprotein receptor LDL-receptor class B 6 Extracellular 131 4.5 Pocket 1: Mean pLDDT: 79.96, Volume: 1865.68 ų, Druggability score: 0.58 0.5753 I623-H607 (PDBs: 1IJQ, 3M0C) I623-H607 (PAE: 1.5) I623-P649 (PDBs: 1IJQ, 3M0C), I623-E650 (PDBs: 1IJQ, 3M0C), I623-S648 (PDBs: 1IJQ, 3M0C), I623-H607 (PDBs: 1IJQ, 3M0C), I623-F609 (PDBs: 1IJQ, 3M0C) I623-H607 (PAE: 1.5), I623-F609 (PAE: 2.0) 8.9000 0.3196 5.0713 3.5132 624 I Isoleucine Aliphatic Turn C (loop/coil) T (turn) 112 -69.2 -40.4 90.44 Low-density lipoprotein receptor LDL-receptor class B 6 Extracellular 131 4.5 Pocket 1: Mean pLDDT: 79.96, Volume: 1865.68 ų, Druggability score: 0.58 0.5753 Pocket 4: Pocket prob: 0.15%, Mean pLDDT: 84.37 0.15 I624-A606 (PDBs: 1IJQ, 3M0C), I624-H607 (PDBs: 1IJQ, 3M0C) I624-H607 (PAE: 1.5) 4.5500 0.3196 0.7185 3.5132 625 N Asparagine Polar/Neutral Turn C (loop/coil) T (turn) 65 -80.4 -6.7 89.81 Low-density lipoprotein receptor LDL-receptor class B 6 Extracellular 132 -3.5 N625-K603 (PDBs: 1IJQ, 3M0C) N625-K603 (PAE: 2.0) N625-R604 (PDBs: 1IJQ, 3M0C), N625-A606 (PDBs: 1IJQ) 6.5500 -1.0776 4.1178 3.5132 626 E Glutamic Acid Negatively-charged Turn C (loop/coil) T (turn) 88 50.5 43.5 93.44 Low-density lipoprotein receptor LDL-receptor class B 6 Extracellular 146 -3.5 E626-D622 (PDBs: 1IJQ, 3M0C), E626-L646 (PDBs: 1IJQ, 3M0C) E626-L646 (PAE: 1.5) E626-N645 (PDBs: 1IJQ, 3M0C), E626-E644 (PDBs: 1IJQ, 3M0C), E626-D622 (PDBs: 1IJQ, 3M0C), E626-L646 (PDBs: 1IJQ, 3M0C) E626-N645 (PAE: 2.0), E626-E644 (PAE: 2.0), E626-D622 (PAE: 1.0), E626-L646 (PAE: 1.5) 7.1900 -0.4423 4.1178 3.5132 627 A Alanine Aliphatic Beta strand B (undefined) E (parallel sheets) 2 -145.9 162.1 94.62 Low-density lipoprotein receptor LDL-receptor class B 6 Extracellular 89 1.8 A627-D622 (PDBs: 1IJQ, 3M0C) A627-D622 (PAE: 1.0) A627-L641 (PDBs: 1IJQ, 3M0C), A627-A643 (PDBs: 1IJQ, 3M0C), A627-L646 (PDBs: 1IJQ, 3M0C), A627-T621 (PDBs: 1IJQ, 3M0C), A627-D622 (PDBs: 1IJQ, 3M0C) A627-L641 (PAE: 1.5), A627-D622 (PAE: 1.0), A627-A643 (PAE: 1.5), A627-T621 (PAE: 1.0) 10.5900 0.7136 6.3673 3.5132 628 I Isoleucine Aliphatic Beta strand B (undefined) E (parallel sheets) 0 -115.5 130.9 96.31 Low-density lipoprotein receptor LDL-receptor class B 6 Extracellular 131 4.5 I628-A643 (PDBs: 1IJQ, 3M0C), I628-L642 (PDBs: 1IJQ, 3M0C) I628-A643 (PAE: 1.0), I628-L642 (PAE: 1.0) I628-L642 (PDBs: 1IJQ, 3M0C), I628-A643 (PDBs: 1IJQ, 3M0C), I628-L641 (PDBs: 1IJQ, 3M0C), I628-T621 (PDBs: 1IJQ, 3M0C), I628-W620 (PDBs: 1IJQ, 3M0C) I628-L642 (PAE: 1.0), I628-A643 (PAE: 1.0), I628-L641 (PAE: 1.0), I628-T621 (PAE: 1.0), I628-W620 (PAE: 1.0) 10.2000 0.3196 6.3673 3.5132 629 F Phenylalanine Aromatic Beta strand B (undefined) E (parallel sheets) 18 -116.6 166.6 95.88 Low-density lipoprotein receptor LDL-receptor class B 6 Extracellular 165 2.8 F629-W620 (PDBs: 1IJQ, 3M0C) F629-W620 (PAE: 1.0) F629-L641 (PDBs: 1IJQ, 3M0C), F629-F619 (PDBs: 1IJQ, 3M0C), F629-N640 (PDBs: 1IJQ, 3M0C), F629-W620 (PDBs: 1IJQ, 3M0C), F629-R604 (PDBs: 1IJQ, 3M0C), F629-V639 (PDBs: 1IJQ, 3M0C) F629-N640 (PAE: 1.0), F629-L641 (PAE: 1.0), F629-F619 (PAE: 1.0), F629-W620 (PAE: 1.0) 10.5900 1.3991 5.6763 3.5132 630 S Serine Polar/Neutral Beta strand B (undefined) E (parallel sheets) 3 -140.6 147.9 95.31 Low-density lipoprotein receptor LDL-receptor class B 6 Extracellular 105 -0.8 S630-N640 (PDBs: 1IJQ, 3M0C) S630-N640 (PAE: 1.5) S630-V639 (PDBs: 1IJQ, 3M0C), S630-L642 (PDBs: 1IJQ), S630-V618 (PDBs: 1IJQ, 3M0C), S630-N640 (PDBs: 1IJQ, 3M0C), S630-D638 (PDBs: 1IJQ, 3M0C), S630-W620 (PDBs: 1IJQ), S630-F619 (PDBs: 1IJQ, 3M0C) S630-V639 (PAE: 1.0), S630-L642 (PAE: 1.5), S630-V618 (PAE: 1.0), S630-N640 (PAE: 1.5), S630-D638 (PAE: 2.0), S630-W620 (PAE: 1.5), S630-F619 (PAE: 1.0) 8.8000 -1.0776 6.3673 3.5132 631 A Alanine Aliphatic Beta strand B (undefined) E (parallel sheets) 3 -147.2 169.4 94.62 Low-density lipoprotein receptor LDL-receptor class B 6 Extracellular 89 1.8 A631-V618 (PDBs: 1IJQ, 3M0C) A631-V618 (PAE: 1.0) A631-D638 (PDBs: 1IJQ, 3M0C), A631-S637 (PDBs: 1IJQ, 3M0C), A631-V618 (PDBs: 1IJQ, 3M0C), A631-K617 (PDBs: 1IJQ, 3M0C) A631-S637 (PAE: 2.0), A631-V618 (PAE: 1.0), A631-K617 (PAE: 1.0) 10.5900 0.7136 6.3673 3.5132 632 N Asparagine Polar/Neutral Beta strand B (undefined) E (parallel sheets) 33 -66.9 128.1 91.81 Low-density lipoprotein receptor LDL-receptor class B 6 Extracellular 132 -3.5 N632-G636 (PDBs: 1IJQ, 3M0C), N632-S637 (PDBs: 1IJQ, 3M0C) N632-G636 (PAE: 2.0), N632-S637 (PAE: 2.0) N632-G636 (PDBs: 1IJQ, 3M0C), N632-D616 (PDBs: 1IJQ, 3M0C), N632-S637 (PDBs: 1IJQ, 3M0C) N632-S637 (PAE: 2.0), N632-G636 (PAE: 2.0), N632-D616 (PAE: 1.5) 8.1100 -1.0776 5.6763 3.5132 633 R Arginine Positively-charged Turn C (loop/coil) T (turn) 13 -72.0 -16.2 90.69 Low-density lipoprotein receptor LDL-receptor class B 6 Extracellular 175 -4.5 Pocket 5: Pocket prob: 0.12%, Mean pLDDT: 87.58 0.12 R633-D616 (PDBs: 1IJQ, 3M0C), R633-Y576 (PDBs: 1IJQ, 3M0C), R633-E615 (PDBs: 1IJQ) R633-D616 (PAE: 2.0), R633-Y576 (PAE: 2.0), R633-E615 (PAE: 2.0), R633-D569 (PAE: 3.0) R633-V618 (PDBs: 1IJQ, 3M0C), R633-K617 (PDBs: 1IJQ, 3M0C), R633-I598 (PDBs: 1IJQ, 3M0C), R633-D616 (PDBs: 1IJQ, 3M0C) R633-I598 (PAE: 2.0), R633-D616 (PAE: 2.0) R633-D569 (PAE: 3.0) 8.2500 -1.0025 5.7413 3.5132 634 L Leucine Aliphatic Turn C (loop/coil) T (turn) 23 -95.5 -50.6 85.44 Low-density lipoprotein receptor LDL-receptor class B 6 Extracellular 131 3.8 L634-K596 (PAE: 2.0) L634-I598 (PDBs: 1IJQ, 3M0C) L634-D362 (PAE: 5.0) 7.3500 0.3196 3.5196 3.5132 635 T Threonine Polar/Neutral Turn C (loop/coil) T (turn) 88 -96.3 -17.7 84.5 Low-density lipoprotein receptor LDL-receptor class B 6 Extracellular 119 -0.7 T635-I598 (PDBs: 1IJQ, 3M0C) T635-I598 (PAE: 2.5) 2.5400 -1.6869 0.7185 3.5132 636 G Glycine Special, lack of a chiral carbon, smallest amino acid, very flexible C (loop/coil) C (loop/coil) 6 70.4 6.4 87.25 Low-density lipoprotein receptor LDL-receptor class B 6 Extracellular 75 -0.4 G636-N632 (PDBs: 1IJQ, 3M0C) G636-N632 (PAE: 2.0) G636-N632 (PDBs: 1IJQ, 3M0C), G636-I598 (PDBs: 1IJQ, 3M0C), G636-L599 (PDBs: 1IJQ, 3M0C) G636-L599 (PAE: 3.0), G636-N632 (PAE: 2.0), G636-I598 (PAE: 2.0) 9.8800 1.8506 4.5204 3.5132 637 S Serine Polar/Neutral C (loop/coil) C (loop/coil) 48 -79.6 173.1 88.12 Low-density lipoprotein receptor LDL-receptor class B 6 Extracellular 105 -0.8 S637-N632 (PDBs: 1IJQ, 3M0C) S637-N632 (PAE: 2.0) S637-A631 (PDBs: 1IJQ, 3M0C), S637-N632 (PDBs: 1IJQ, 3M0C) S637-A631 (PAE: 2.0), S637-N632 (PAE: 2.0) 6.2800 -1.0776 3.8443 3.5132 638 D Aspartic Acid Negatively-charged C (loop/coil) C (loop/coil) 116 60.5 47.7 89.5 Low-density lipoprotein receptor LDL-receptor class B 6 Extracellular 132 -3.5 D638-S630 (PDBs: 1IJQ, 3M0C), D638-A631 (PDBs: 1IJQ, 3M0C) D638-S630 (PAE: 2.0) D638-K617 (PDBs: 1IJQ) 5.1900 0.8622 0.8164 3.5132 639 V Valine Aliphatic C (loop/coil) C (loop/coil) 39 -65.2 121.4 92.75 Low-density lipoprotein receptor LDL-receptor class B 6 Extracellular 117 4.2 V639-S630 (PDBs: 1IJQ, 3M0C), V639-F629 (PDBs: 1IJQ, 3M0C) V639-S630 (PAE: 1.0) 4.6800 0.3196 0.8437 3.5132 640 N Asparagine Polar/Neutral Beta strand B (undefined) E (parallel sheets) 73 -125.2 126.4 93.31 Low-density lipoprotein receptor LDL-receptor class B 6 Extracellular 132 -3.5 N640-S630 (PDBs: 1IJQ, 3M0C) N640-S630 (PAE: 1.5) N640-S630 (PDBs: 1IJQ, 3M0C), N640-F629 (PDBs: 1IJQ, 3M0C) N640-S630 (PAE: 1.5), N640-F629 (PAE: 1.0) 7.1600 -1.0776 4.7228 3.5132 641 L Leucine Aliphatic Beta strand B (undefined) E (parallel sheets) 61 -78.5 107.9 93.25 Low-density lipoprotein receptor LDL-receptor class B 6 Extracellular 131 3.8 L641-R416 (PDBs: 1IJQ, 3M0C) L641-F629 (PDBs: 1IJQ, 3M0C), L641-I628 (PDBs: 1IJQ, 3M0C), L641-A627 (PDBs: 1IJQ, 3M0C) L641-F629 (PAE: 1.0), L641-I628 (PAE: 1.0), L641-A627 (PAE: 1.5) 6.7300 0.3196 2.8937 3.5132 642 L Leucine Aliphatic Beta strand B (undefined) E (parallel sheets) 18 -83.2 -41.0 93.19 Low-density lipoprotein receptor LDL-receptor class B 6 Extracellular 131 3.8 L642-Y419 (PDBs: 1IJQ, 3M0C), L642-I628 (PDBs: 1IJQ, 3M0C) L642-I628 (PAE: 1.0) L642-L414 (PDBs: 1IJQ, 3M0C), L642-I628 (PDBs: 1IJQ, 3M0C), L642-S630 (PDBs: 1IJQ), L642-R416 (PDBs: 1IJQ, 3M0C) L642-I628 (PAE: 1.0), L642-S630 (PAE: 1.5), L642-R416 (PAE: 4.0) 9.5100 0.3196 5.6763 3.5132 643 A Alanine Aliphatic Beta strand B (undefined) E (parallel sheets) 10 -145.8 150.4 92.12 Low-density lipoprotein receptor LDL-receptor class B 6 Extracellular 89 1.8 A643-I628 (PDBs: 1IJQ, 3M0C) A643-I628 (PAE: 1.0) A643-R416 (PDBs: 1IJQ, 3M0C), A643-A627 (PDBs: 1IJQ, 3M0C), A643-I628 (PDBs: 1IJQ, 3M0C) A643-A627 (PAE: 1.5), A643-I628 (PAE: 1.0) 10.5900 0.7136 6.3673 3.5132 644 E Glutamic Acid Negatively-charged C (loop/coil) C (loop/coil) 123 -140.9 164.3 92.44 Low-density lipoprotein receptor LDL-receptor class B 6 Extracellular 146 -3.5 E644-R416 (PDBs: 1IJQ, 3M0C) E644-E626 (PDBs: 1IJQ, 3M0C) E644-E626 (PAE: 2.0) E644-R416 (PDBs: 1IJQ, 3M0C) 6.7100 -0.4423 3.6388 3.5132 645 N Asparagine Polar/Neutral C (loop/coil) S (bend) 118 57.9 44.8 90.88 Low-density lipoprotein receptor LDL-receptor class B 6 Extracellular 132 -3.5 N645-E626 (PDBs: 1IJQ, 3M0C) N645-E626 (PAE: 2.0) 5.5900 -1.0776 3.1506 3.5132 646 L Leucine Aliphatic C (loop/coil) C (loop/coil) 0 -88.4 144.3 93.19 Low-density lipoprotein receptor LDL-receptor class B 6 Extracellular 131 3.8 L646-E626 (PDBs: 1IJQ, 3M0C) L646-E626 (PAE: 1.5) L646-N405 (PDBs: 1IJQ, 3M0C), L646-E626 (PDBs: 1IJQ, 3M0C), L646-A627 (PDBs: 1IJQ, 3M0C) L646-N405 (PAE: 2.0), L646-E626 (PAE: 1.5) 9.0400 0.3196 5.2114 3.5132 647 L Leucine Aliphatic C (loop/coil) S (bend) 93 -97.9 105.0 90.94 Low-density lipoprotein receptor LDL-receptor class B 6 Extracellular 131 3.8 L647-N405 (PDBs: 1IJQ, 3M0C) L647-N405 (PAE: 2.0) L647-R406 (PDBs: 1IJQ, 3M0C), L647-N405 (PDBs: 1IJQ, 3M0C) L647-R406 (PAE: 3.0), L647-N405 (PAE: 2.0) 8.8300 0.3196 4.9982 3.5132 648 S Serine Polar/Neutral C (loop/coil) C (loop/coil) 39 49.1 65.7 90.5 Low-density lipoprotein receptor LDL-receptor class B 6 Extracellular 105 -0.8 S648-R406 (PDBs: 1IJQ, 3M0C) S648-I623 (PDBs: 1IJQ, 3M0C), S648-R406 (PDBs: 1IJQ, 3M0C), S648-T404 (PDBs: 1IJQ, 3M0C) S648-T404 (PAE: 2.0) 7.2300 -1.0776 4.7978 3.5132 649 P Proline Special, No backbone hydrogen C (loop/coil) C (loop/coil) 1 -74.2 74.5 93.0 Low-density lipoprotein receptor LDL-receptor class B 6 Extracellular 115 -1.6 P649-T621 (PDBs: 1IJQ, 3M0C) P649-T621 (PAE: 2.0) P649-T404 (PDBs: 1IJQ, 3M0C), P649-T621 (PDBs: 1IJQ, 3M0C), P649-I623 (PDBs: 1IJQ, 3M0C), P649-D622 (PDBs: 1IJQ) P649-T404 (PAE: 1.5), P649-T621 (PAE: 2.0), P649-D622 (PAE: 2.0) 7.4400 0.5462 3.3823 3.5132 650 E Glutamic Acid Negatively-charged C (loop/coil) C (loop/coil) 38 -75.4 -45.2 93.31 Low-density lipoprotein receptor LDL-receptor class B 6 Extracellular 146 -3.5 Pocket 5: Mean pLDDT: 99.95, Volume: 686.83 ų, Druggability score: 0.04 0.0421 Pocket 2: Pocket prob: 0.32%, Mean pLDDT: 89.46 0.32 E650-V430 (PDBs: 1IJQ, 3M0C), E650-S610 (PDBs: 1IJQ, 3M0C), E650-T404 (PDBs: 1IJQ, 3M0C), E650-F609 (PDBs: 1IJQ, 3M0C), E650-I623 (PDBs: 1IJQ, 3M0C) E650-V430 (PAE: 2.0), E650-T621 (PAE: 2.0), E650-S610 (PAE: 2.0), E650-T404 (PAE: 2.0), E650-F609 (PAE: 2.0) 7.5900 -0.4423 4.5204 3.5132 651 D Aspartic Acid Negatively-charged C (loop/coil) C (loop/coil) 25 -129.2 148.7 96.44 Low-density lipoprotein receptor LDL-receptor class B 6 Extracellular 132 -3.5 Pocket 5: Mean pLDDT: 99.95, Volume: 686.83 ų, Druggability score: 0.04 0.0421 Pocket 1: Pocket prob: 0.69%, Mean pLDDT: 95.57 0.69 D651-S610 (PDBs: 1IJQ, 3M0C), D651-T404 (PDBs: 1IJQ, 3M0C), D651-L432 (PDBs: 1IJQ, 3M0C) D651-S610 (PAE: 2.0), D651-T404 (PAE: 1.0), D651-L432 (PAE: 2.0) D651-A431 (PDBs: 1IJQ, 3M0C), D651-S610 (PDBs: 1IJQ, 3M0C), D651-V430 (PDBs: 1IJQ, 3M0C), D651-F403 (PDBs: 1IJQ, 3M0C), D651-T404 (PDBs: 1IJQ, 3M0C), D651-L432 (PDBs: 1IJQ, 3M0C) D651-A431 (PAE: 1.5), D651-S610 (PAE: 2.0), D651-V430 (PAE: 1.5), D651-F403 (PAE: 1.0), D651-T404 (PAE: 1.0), D651-L432 (PAE: 2.0) 8.9000 0.8622 4.5204 3.5132 652 M Methionine Aliphatic Beta strand B (undefined) E (parallel sheets) 3 -148.6 128.2 96.56 Low-density lipoprotein receptor LDL-receptor class B 6 Extracellular 149 1.9 Pocket 5: Mean pLDDT: 99.95, Volume: 686.83 ų, Druggability score: 0.04 0.0421 Pocket 1: Pocket prob: 0.69%, Mean pLDDT: 95.57 0.69 M652-S610 (PDBs: 1IJQ, 3M0C) M652-S610 (PAE: 3.0) M652-F403 (PDBs: 1IJQ), M652-S610 (PDBs: 1IJQ, 3M0C), M652-L432 (PDBs: 1IJQ), M652-L401 (PDBs: 1IJQ, 3M0C), M652-W620 (PDBs: 1IJQ, 3M0C), M652-F402 (PDBs: 1IJQ, 3M0C) M652-S610 (PAE: 3.0), M652-T621 (PAE: 1.5), M652-L401 (PAE: 1.5), M652-W620 (PAE: 2.0), M652-F402 (PAE: 1.0) 10.2000 0.3196 6.3673 3.5132 653 V Valine Aliphatic Beta strand B (undefined) E (parallel sheets) 22 -124.7 152.3 96.75 Low-density lipoprotein receptor LDL-receptor class B 6 Extracellular 117 4.2 Pocket 5: Mean pLDDT: 99.95, Volume: 686.83 ų, Druggability score: 0.04 0.0421 Pocket 1: Pocket prob: 0.69%, Mean pLDDT: 95.57 0.69 V653-F402 (PDBs: 1IJQ, 3M0C) V653-F402 (PAE: 1.0) V653-L401 (PDBs: 1IJQ, 3M0C), V653-D433 (PDBs: 1IJQ, 3M0C), V653-F402 (PDBs: 1IJQ, 3M0C), V653-L432 (PDBs: 1IJQ, 3M0C) V653-L401 (PAE: 1.0), V653-L432 (PAE: 1.5), V653-F402 (PAE: 1.0) 9.5100 0.3196 5.6763 3.5132 654 L Leucine Aliphatic Beta strand B (undefined) E (parallel sheets) 14 -96.6 117.4 95.19 Low-density lipoprotein receptor LDL-receptor class B 6 Extracellular 131 3.8 Pocket 5: Mean pLDDT: 99.95, Volume: 686.83 ų, Druggability score: 0.04 0.0421 Pocket 1: Pocket prob: 0.69%, Mean pLDDT: 95.57 0.69 L654-F614 (PDBs: 1IJQ, 3M0C), L654-T659 (PDBs: 1IJQ, 3M0C), L654-L401 (PDBs: 1IJQ, 3M0C), L654-Y400 (PDBs: 1IJQ, 3M0C), L654-V613 (PDBs: 1IJQ), L654-A399 (PDBs: 3M0C) L654-T659 (PAE: 2.0), L654-L401 (PAE: 1.0), L654-V613 (PAE: 1.5), L654-Y400 (PAE: 1.0), L654-F614 (PAE: 2.0) 7.6600 0.3196 3.8287 3.5132 655 F Phenylalanine Aromatic Beta strand B (undefined) E (parallel sheets) 27 -95.7 99.8 94.12 Low-density lipoprotein receptor LDL-receptor class B 6 Extracellular 165 2.8 F655-Y400 (PDBs: 1IJQ, 3M0C) F655-Y400 (PAE: 1.0) F655-Y400 (PDBs: 1IJQ, 3M0C), F655-F402 (PDBs: 1IJQ, 3M0C), F655-V436 (PDBs: 1IJQ, 3M0C), F655-A399 (PDBs: 1IJQ, 3M0C), F655-T434 (PDBs: 1IJQ, 3M0C) F655-Y400 (PAE: 1.0), F655-F402 (PAE: 1.0), F655-V436 (PAE: 1.5), F655-A399 (PAE: 1.5), F655-T434 (PAE: 2.0) 10.5900 1.3991 5.6763 3.5132 656 H Histidine Positively-charged Beta strand C (loop/coil) C (loop/coil) 5 -158.2 146.9 93.31 Low-density lipoprotein receptor LDL-receptor class B 6 Extracellular 155 -3.2 H656-G396 (PDBs: 3M0C) H656-S397 (PAE: 3.5) H656-V436 (PDBs: 1IJQ, 3M0C), H656-A399 (PDBs: 1IJQ, 3M0C), H656-G396 (PDBs: 3M0C) H656-V436 (PAE: 1.5), H656-S397 (PAE: 3.5) 7.7200 -1.0025 5.2114 3.5132 657 N Asparagine Polar/Neutral Helix C (loop/coil) T (turn) 96 -60.5 -26.8 90.12 Low-density lipoprotein receptor N-linked (GlcNAc...) asparagine LDL-receptor class B 6 Extracellular 132 -3.5 N657-V436 (PDBs: 1IJQ, 3M0C) N657-V436 (PAE: 2.0) 6.5500 -1.0776 4.1178 3.5132 658 L Leucine Aliphatic Helix C (loop/coil) T (turn) 44 -78.1 -15.9 88.94 Low-density lipoprotein receptor LDL-receptor class B 6 Extracellular 131 3.8 Pocket 5: Pocket prob: 0.12%, Mean pLDDT: 87.58 0.12 L658-A394 (PAE: 4.0), L658-G382 (PAE: 4.0) 5.2300 0.3196 1.3946 3.5132 659 T Threonine Polar/Neutral Helix C (loop/coil) T (turn) 45 -72.8 -25.9 89.12 Low-density lipoprotein receptor Extracellular 119 -0.7 Pocket 5: Mean pLDDT: 99.95, Volume: 686.83 ų, Druggability score: 0.04 0.0421 Pocket 1: Pocket prob: 0.69%, Mean pLDDT: 95.57 0.69 T659-L654 (PDBs: 1IJQ, 3M0C) T659-L654 (PAE: 2.0) 3.3900 -1.6869 3.2236 1.8539 660 Q Glutamine Polar/Neutral C (loop/coil) S (bend) 21 -122.3 74.9 92.06 Low-density lipoprotein receptor Extracellular 146 -3.5 Pocket 5: Mean pLDDT: 99.95, Volume: 686.83 ų, Druggability score: 0.04 0.0421 Pocket 1: Pocket prob: 0.69%, Mean pLDDT: 95.57 0.69 Q660-V436 (PDBs: 1IJQ, 3M0C), Q660-T434 (PDBs: 1IJQ, 3M0C) Q660-V436 (PAE: 2.0), Q660-T434 (PAE: 1.5) Q660-V436 (PDBs: 1IJQ, 3M0C), Q660-W483 (PDBs: 1IJQ, 3M0C) Q660-V436 (PAE: 2.0), Q660-W483 (PAE: 1.5) 6.0500 -1.4758 5.6742 1.8539 661 P Proline Special, No backbone hydrogen C (loop/coil) C (loop/coil) 35 -62.4 151.8 88.44 Low-density lipoprotein receptor Extracellular 115 -1.6 P661-W483 (PDBs: 1IJQ, 3M0C) P661-W483 (PAE: 2.0) 4.1400 0.5462 1.7378 1.8539 662 R Arginine Positively-charged C (loop/coil) C (loop/coil) 248 -70.9 129.4 86.19 Low-density lipoprotein receptor Extracellular 175 -4.5 -0.8900 -1.0025 -1.7443 1.8539 663 G Glycine Special, lack of a chiral carbon, smallest amino acid, very flexible C (loop/coil) C (loop/coil) 37 -125.5 -179.7 85.69 Low-density lipoprotein receptor EGF-like 3 Extracellular 75 -0.4 G663-I484 (PDBs: 1IJQ, 3M0C) G663-I484 (PAE: 2.0) 7.4700 1.8506 1.9967 3.6180 664 V Valine Aliphatic C (loop/coil) C (loop/coil) 79 -88.8 117.6 90.0 Low-density lipoprotein receptor EGF-like 3 Extracellular 117 4.2 V664-I484 (PDBs: 1IJQ, 3M0C), V664-R669 (PDBs: 3M0C), V664-P526 (PDBs: 3M0C) V664-I484 (PAE: 2.0) 5.6600 0.3196 1.7193 3.6180 665 N Asparagine Polar/Neutral C (loop/coil) C (loop/coil) 39 -75.4 105.5 91.25 Low-density lipoprotein receptor EGF-like 3 Extracellular 132 -3.5 N665-I484 (PDBs: 3M0C) N665-I484 (PAE: 2.0) N665-I484 (PDBs: 1IJQ, 3M0C), N665-R669 (PDBs: 1IJQ, 3M0C), N665-H485 (PDBs: 1IJQ, 3M0C), N665-P526 (PDBs: 3M0C) N665-I484 (PAE: 2.0), N665-R669 (PAE: 3.5), N665-H485 (PAE: 2.0) 7.0600 -1.0776 4.5204 3.6180 666 W Tryptophan Aromatic C (loop/coil) T (turn) 73 -70.1 -23.7 90.25 Low-density lipoprotein receptor EGF-like 3 Extracellular 204 -0.9 W666-H485 (PDBs: 1IJQ) W666-F694 (PDBs: 1IJQ, 3M0C), W666-K693 (PDBs: 1IJQ, 3M0C), W666-H485 (PDBs: 1IJQ), W666-V527 (PDBs: 3M0C) W666-K693 (PAE: 2.5) 9.1300 1.3991 4.1178 3.6180 667 C Cysteine Special, a very reactive sulfhydryl group C (loop/coil) T (turn) 6 -73.2 -29.2 89.81 Low-density lipoprotein receptor Disulfide bond 667-681 EGF-like 3 Extracellular 121 2.5 C667-G675 (PDBs: 1IJQ, 3M0C), C667-H485 (PDBs: 3M0C) C667-G675 (PAE: 2.5) C667-N674 (PDBs: 1IJQ, 3M0C), C667-C681 (PDBs: 1IJQ, 3M0C), C667-G675 (PDBs: 1IJQ, 3M0C), C667-H485 (PDBs: 3M0C) C667-N674 (PAE: 3.0), C667-L672 (PAE: 4.5), C667-C681 (PAE: 3.0), C667-G675 (PAE: 2.5) C667-C681 (PDBs: 1IJQ, 3M0C) C667-C681 (PAE: 3.0) 16.0300 2.6074 9.8076 3.6180 668 E Glutamic Acid Negatively-charged Beta strand C (loop/coil) T (turn) 101 -110.0 5.9 88.62 Low-density lipoprotein receptor EGF-like 3 Extracellular 146 -3.5 E668-N674 (PAE: 3.5) E668-N674 (PDBs: 1IJQ, 3M0C), E668-S673 (PDBs: 1IJQ, 3M0C) E668-N674 (PAE: 3.5), E668-S673 (PAE: 4.0) 4.5500 -0.4423 1.3725 3.6180 669 R Arginine Positively-charged Beta strand C (loop/coil) S (bend) 161 -66.6 -24.0 83.81 Low-density lipoprotein receptor EGF-like 3 Extracellular 175 -4.5 R669-N665 (PDBs: 1IJQ, 3M0C), R669-V664 (PDBs: 3M0C) R669-N665 (PAE: 3.5) 6.4400 -1.0025 3.8231 3.6180 670 T Threonine Polar/Neutral Beta strand C (loop/coil) S (bend) 65 -111.9 168.1 82.19 Low-density lipoprotein receptor EGF-like 3 Extracellular 119 -0.7 3.2500 -1.6869 1.3215 3.6180 671 T Threonine Polar/Neutral Beta strand C (loop/coil) S (bend) 158 -64.3 -7.8 81.19 Low-density lipoprotein receptor EGF-like 3 Extracellular 119 -0.7 1.3400 -1.6869 -0.5905 3.6180 672 L Leucine Aliphatic Beta strand C (loop/coil) S (bend) 79 -86.1 103.7 82.38 Low-density lipoprotein receptor EGF-like 3 Extracellular 131 3.8 L672-G676 (PDBs: 1IJQ, 3M0C) L672-C667 (PAE: 4.5), L672-G676 (PAE: 3.5) 7.0900 0.3196 3.1506 3.6180 673 S Serine Polar/Neutral Helix H (helix) G (3₁₀-helix) 87 -55.6 141.3 87.44 Low-density lipoprotein receptor EGF-like 3 Extracellular 105 -0.8 S673-E668 (PDBs: 1IJQ, 3M0C) S673-E668 (PAE: 4.0) 2.9300 -1.0776 0.3920 3.6180 674 N Asparagine Polar/Neutral Helix H (helix) G (3₁₀-helix) 35 56.7 32.6 88.94 Low-density lipoprotein receptor EGF-like 3 Extracellular 132 -3.5 N674-Y679 (PDBs: 1IJQ, 3M0C) N674-Y679 (PAE: 2.5), N674-E668 (PAE: 3.5) N674-C667 (PDBs: 1IJQ, 3M0C), N674-C681 (PDBs: 1IJQ, 3M0C), N674-E668 (PDBs: 1IJQ, 3M0C) N674-C667 (PAE: 3.0), N674-C681 (PAE: 2.0), N674-E668 (PAE: 3.5) 8.4600 -1.0776 5.9199 3.6180 675 G Glycine Special, lack of a chiral carbon, smallest amino acid, very flexible Helix H (helix) G (3₁₀-helix) 6 64.0 8.5 87.56 Low-density lipoprotein receptor EGF-like 3 Extracellular 75 -0.4 G675-C667 (PDBs: 1IJQ, 3M0C) G675-C667 (PAE: 2.5) G675-F694 (PDBs: 1IJQ, 3M0C), G675-C667 (PDBs: 1IJQ, 3M0C) G675-F694 (PAE: 2.5), G675-C667 (PAE: 2.5) 12.3600 1.8506 6.8883 3.6180 676 G Glycine Special, lack of a chiral carbon, smallest amino acid, very flexible Helix H (helix) G (3₁₀-helix) 19 83.2 8.8 91.75 Low-density lipoprotein receptor EGF-like 3 Extracellular 75 -0.4 G676-L672 (PDBs: 1IJQ, 3M0C), G676-R709 (PDBs: 1IJQ, 3M0C) G676-L672 (PAE: 3.5), G676-R709 (PAE: 2.0) 9.5400 1.8506 4.0723 3.6180 677 C Cysteine Special, a very reactive sulfhydryl group C (loop/coil) C (loop/coil) 10 -81.2 136.5 93.12 Low-density lipoprotein receptor Disulfide bond 677-696 EGF-like 3 Extracellular 121 2.5 C677-C696 (PDBs: 1IJQ, 3M0C), C677-C681 (PDBs: 1IJQ, 3M0C) C677-R709 (PAE: 2.0), C677-C696 (PAE: 2.5), C677-C681 (PAE: 2.0) C677-C696 (PDBs: 1IJQ, 3M0C) C677-C696 (PAE: 2.5) 12.9400 2.6074 6.7180 3.6180 678 Q Glutamine Polar/Neutral Beta strand C (loop/coil) S (bend) 121 -66.8 -36.1 92.88 Low-density lipoprotein receptor EGF-like 3 Extracellular 146 -3.5 Q678-C711 (PDBs: 1IJQ, 3M0C), Q678-R709 (PDBs: 1IJQ, 3M0C) Q678-C711 (PAE: 2.5), Q678-R709 (PAE: 2.0) Q678-C711 (PDBs: 1IJQ, 3M0C), Q678-S710 (PDBs: 1IJQ, 3M0C), Q678-R709 (PDBs: 1IJQ, 3M0C) Q678-C711 (PAE: 2.5), Q678-S710 (PAE: 2.5), Q678-R709 (PAE: 2.0) 5.6900 -1.4758 3.5456 3.6180 679 Y Tyrosine Aromatic Beta strand C (loop/coil) S (bend) 49 -116.5 -95.2 93.88 Low-density lipoprotein receptor EGF-like 3 Extracellular 181 -1.3 Y679-R508 (PDBs: 1IJQ, 3M0C), Y679-N674 (PDBs: 1IJQ, 3M0C) Y679-R508 (PAE: 2.0), Y679-N674 (PAE: 2.5), Y679-K507 (PAE: 1.0) Y679-C698 (PDBs: 1IJQ, 3M0C), Y679-P699 (PDBs: 1IJQ, 3M0C), Y679-A697 (PDBs: 1IJQ, 3M0C), Y679-C711 (PDBs: 1IJQ, 3M0C), Y679-K507 (PDBs: 1IJQ, 3M0C) Y679-P699 (PAE: 1.5), Y679-A697 (PAE: 1.5), Y679-C698 (PAE: 2.0), Y679-K507 (PAE: 1.0) 10.6900 1.3991 5.6742 3.6180 680 L Leucine Aliphatic Beta strand B (undefined) E (parallel sheets) 4 -103.2 141.6 94.0 Low-density lipoprotein receptor EGF-like 3 Extracellular 131 3.8 L680-A697 (PDBs: 1IJQ, 3M0C) L680-A697 (PAE: 2.0) L680-A697 (PDBs: 1IJQ, 3M0C), L680-R508 (PDBs: 1IJQ), L680-C696 (PDBs: 1IJQ, 3M0C), L680-K507 (PDBs: 1IJQ) L680-A697 (PAE: 2.0), L680-C696 (PAE: 1.0), L680-K507 (PAE: 1.5) 10.3000 0.3196 6.3673 3.6180 681 C Cysteine Special, a very reactive sulfhydryl group Beta strand B (undefined) E (parallel sheets) 4 -108.8 112.5 94.75 Low-density lipoprotein receptor Disulfide bond 667-681 EGF-like 3 Extracellular 121 2.5 C681-C667 (PDBs: 1IJQ, 3M0C), C681-N674 (PDBs: 1IJQ, 3M0C), C681-C677 (PDBs: 1IJQ, 3M0C), C681-T695 (PDBs: 1IJQ, 3M0C), C681-F694 (PDBs: 1IJQ, 3M0C) C681-C667 (PAE: 3.0), C681-N674 (PAE: 2.0), C681-C677 (PAE: 2.0), C681-T695 (PAE: 1.0), C681-F694 (PAE: 1.0) C681-C667 (PDBs: 1IJQ, 3M0C) C681-C667 (PAE: 3.0) 14.7900 2.6074 8.5650 3.6180 682 L Leucine Aliphatic Beta strand B (undefined) E (parallel sheets) 0 -112.7 137.5 95.81 Low-density lipoprotein receptor EGF-like 3 Extracellular 131 3.8 L682-T695 (PDBs: 1IJQ, 3M0C) L682-T695 (PAE: 1.0) L682-L547 (PDBs: 1IJQ, 3M0C), L682-N548 (PDBs: 1IJQ, 3M0C), L682-T695 (PDBs: 1IJQ, 3M0C), L682-F694 (PDBs: 1IJQ, 3M0C), L682-A697 (PDBs: 1IJQ) L682-L547 (PAE: 1.0), L682-N548 (PAE: 2.0), L682-T695 (PAE: 1.0), L682-F694 (PAE: 1.0), L682-A697 (PAE: 1.5) 10.3000 0.3196 6.3673 3.6180 683 P Proline Special, No backbone hydrogen Beta strand B (undefined) E (parallel sheets) 3 -62.7 139.6 94.88 Low-density lipoprotein receptor EGF-like 3 Extracellular 115 -1.6 P683-N548 (PDBs: 1IJQ), P683-K693 (PDBs: 1IJQ, 3M0C), P683-L547 (PDBs: 1IJQ, 3M0C), P683-G529 (PDBs: 3M0C) P683-N548 (PAE: 1.5), P683-H485 (PAE: 2.0), P683-K693 (PAE: 1.0), P683-L547 (PAE: 1.5) 6.8500 0.5462 2.6906 3.6180 684 A Alanine Aliphatic H (helix) P (polyproline helix) 4 -98.6 150.1 94.06 Low-density lipoprotein receptor EGF-like 3 Extracellular 89 1.8 A684-K693 (PDBs: 1IJQ, 3M0C) A684-K693 (PAE: 2.0) A684-F694 (PDBs: 1IJQ, 3M0C), A684-K693 (PDBs: 1IJQ, 3M0C), A684-G529 (PDBs: 1IJQ), A684-P692 (PDBs: 1IJQ, 3M0C), A684-N548 (PDBs: 1IJQ), A684-H528 (PDBs: 3M0C) A684-F694 (PAE: 1.0), A684-K693 (PAE: 2.0), A684-G529 (PAE: 1.5), A684-P692 (PAE: 2.0), A684-H528 (PAE: 2.0), A684-N548 (PAE: 2.0) 10.0900 0.7136 5.7623 3.6180 685 P Proline Special, No backbone hydrogen H (helix) P (polyproline helix) 7 -64.6 127.4 94.38 Low-density lipoprotein receptor EGF-like 3 Extracellular 115 -1.6 P685-G529 (PDBs: 1IJQ), P685-H528 (PDBs: 1IJQ, 3M0C), P685-F530 (PDBs: 1IJQ, 3M0C), P685-S691 (PDBs: 1IJQ, 3M0C), P685-G546 (PDBs: 1IJQ), P685-N548 (PDBs: 1IJQ) P685-G529 (PAE: 2.0), P685-H528 (PAE: 2.0), P685-F530 (PAE: 1.5), P685-S691 (PAE: 2.0), P685-D551 (PAE: 3.5), P685-N548 (PAE: 1.5) 9.9300 0.5462 5.7623 3.6180 686 Q Glutamine Polar/Neutral C (loop/coil) C (loop/coil) 41 -87.1 77.6 91.88 Low-density lipoprotein receptor EGF-like 3 Extracellular 146 -3.5 Q686-K693 (PDBs: 1IJQ, 3M0C), Q686-P692 (PDBs: 1IJQ, 3M0C), Q686-H528 (PDBs: 1IJQ) Q686-K693 (PAE: 2.5), Q686-P692 (PAE: 2.0), Q686-H528 (PAE: 2.0) Q686-K693 (PDBs: 1IJQ, 3M0C), Q686-H528 (PDBs: 1IJQ), Q686-F530 (PDBs: 1IJQ), Q686-S691 (PDBs: 1IJQ, 3M0C), Q686-P692 (PDBs: 1IJQ, 3M0C) Q686-S691 (PAE: 3.0), Q686-K693 (PAE: 2.5), Q686-P692 (PAE: 2.0), Q686-H528 (PAE: 2.0) 6.6600 -1.4758 4.5204 3.6180 687 I Isoleucine Aliphatic C (loop/coil) S (bend) 105 -84.0 -41.7 89.38 Low-density lipoprotein receptor EGF-like 3 Extracellular 131 4.5 I687-S691 (PDBs: 1IJQ, 3M0C) I687-S691 (PDBs: 1IJQ, 3M0C) I687-S691 (PAE: 2.5) 8.9400 0.3196 4.9982 3.6180 688 N Asparagine Polar/Neutral C (loop/coil) S (bend) 77 -137.5 164.0 87.75 Low-density lipoprotein receptor EGF-like 3 Extracellular 132 -3.5 3.8600 -1.0776 1.3215 3.6180 689 P Proline Special, No backbone hydrogen C (loop/coil) T (turn) 123 -59.0 -17.0 86.69 Low-density lipoprotein receptor EGF-like 3 Extracellular 115 -1.6 3.7100 0.5462 -0.4566 3.6180 690 H Histidine Positively-charged C (loop/coil) T (turn) 173 -96.6 -3.9 87.81 Low-density lipoprotein receptor EGF-like 3 Extracellular 155 -3.2 1.4200 -1.0025 -1.1934 3.6180 691 S Serine Polar/Neutral C (loop/coil) S (bend) 17 -57.0 136.1 88.88 Low-density lipoprotein receptor EGF-like 3 Extracellular 105 -0.8 S691-I687 (PDBs: 1IJQ, 3M0C) S691-Q686 (PDBs: 1IJQ, 3M0C), S691-P685 (PDBs: 1IJQ, 3M0C), S691-I687 (PDBs: 1IJQ, 3M0C) S691-P685 (PAE: 2.0), S691-Q686 (PAE: 3.0), S691-I687 (PAE: 2.5) 8.4900 -1.0776 5.9517 3.6180 692 P Proline Special, No backbone hydrogen C (loop/coil) C (loop/coil) 85 -53.9 149.1 90.69 Low-density lipoprotein receptor EGF-like 3 Extracellular 115 -1.6 P692-Q686 (PDBs: 1IJQ, 3M0C) P692-Q686 (PAE: 2.0) P692-A684 (PDBs: 1IJQ, 3M0C), P692-Q686 (PDBs: 1IJQ, 3M0C) P692-A684 (PAE: 2.0), P692-Q686 (PAE: 2.0) 5.9000 0.5462 1.7378 3.6180 693 K Lysine Positively-charged Beta strand C (loop/coil) S (bend) 79 -82.0 -28.5 91.69 Low-density lipoprotein receptor EGF-like 3 Extracellular 147 -3.9 K693-Q686 (PDBs: 1IJQ, 3M0C), K693-A684 (PDBs: 1IJQ, 3M0C) K693-Q686 (PAE: 2.5), K693-A684 (PAE: 2.0) K693-W666 (PDBs: 1IJQ, 3M0C), K693-Q686 (PDBs: 1IJQ, 3M0C), K693-P683 (PDBs: 1IJQ, 3M0C), K693-A684 (PDBs: 1IJQ, 3M0C) K693-W666 (PAE: 2.5), K693-Q686 (PAE: 2.5), K693-P683 (PAE: 1.0), K693-A684 (PAE: 2.0) 8.6400 0.3020 4.7207 3.6180 694 F Phenylalanine Aromatic Beta strand B (undefined) E (parallel sheets) 66 -149.9 162.9 93.25 Low-density lipoprotein receptor EGF-like 3 Extracellular 165 2.8 F694-A684 (PDBs: 1IJQ, 3M0C), F694-C681 (PDBs: 1IJQ, 3M0C), F694-L682 (PDBs: 1IJQ, 3M0C), F694-W666 (PDBs: 1IJQ, 3M0C), F694-G675 (PDBs: 1IJQ, 3M0C) F694-L682 (PAE: 1.0), F694-A684 (PAE: 1.0), F694-C681 (PAE: 1.0), F694-G675 (PAE: 2.5) 8.8500 1.3991 3.8287 3.6180 695 T Threonine Polar/Neutral Beta strand B (undefined) E (parallel sheets) 41 -136.5 146.5 94.0 Low-density lipoprotein receptor EGF-like 3 Extracellular 119 -0.7 T695-L682 (PDBs: 1IJQ, 3M0C), T695-N548 (PDBs: 1IJQ, 3M0C) T695-N548 (PAE: 2.0), T695-L682 (PAE: 1.0) T695-N548 (PDBs: 1IJQ, 3M0C), T695-C681 (PDBs: 1IJQ, 3M0C), T695-L682 (PDBs: 1IJQ, 3M0C) T695-L682 (PAE: 1.0), T695-C681 (PAE: 1.0), T695-N548 (PAE: 2.0) 7.6100 -1.6869 5.6763 3.6180 696 C Cysteine Special, a very reactive sulfhydryl group Beta strand B (undefined) E (parallel sheets) 15 -80.5 137.1 94.75 Low-density lipoprotein receptor Disulfide bond 677-696 EGF-like 3 Extracellular 121 2.5 C696-R709 (PDBs: 1IJQ, 3M0C), C696-L704 (PDBs: 1IJQ, 3M0C), C696-C677 (PDBs: 1IJQ, 3M0C), C696-M708 (PDBs: 1IJQ, 3M0C), C696-L680 (PDBs: 1IJQ, 3M0C) C696-R709 (PAE: 2.0), C696-L704 (PAE: 2.0), C696-C677 (PAE: 2.5), C696-M708 (PAE: 2.0), C696-L680 (PAE: 1.0) C696-C677 (PDBs: 1IJQ, 3M0C) C696-C677 (PAE: 2.5) 14.1000 2.6074 7.8740 3.6180 697 A Alanine Aliphatic Beta strand B (undefined) E (parallel sheets) 10 -125.7 142.0 94.88 Low-density lipoprotein receptor EGF-like 3 Extracellular 89 1.8 A697-L680 (PDBs: 1IJQ, 3M0C) A697-L680 (PAE: 2.0) A697-K509 (PDBs: 1IJQ), A697-Y679 (PDBs: 1IJQ, 3M0C), A697-L682 (PDBs: 1IJQ), A697-L680 (PDBs: 1IJQ, 3M0C) A697-K509 (PAE: 2.0), A697-L682 (PAE: 1.5), A697-L680 (PAE: 2.0), A697-Y679 (PAE: 1.5) 10.0100 0.7136 5.6763 3.6180 698 C Cysteine Special, a very reactive sulfhydryl group C (loop/coil) C (loop/coil) 4 -107.2 157.8 94.44 Low-density lipoprotein receptor Disulfide bond 698-711 EGF-like 3 Extracellular 121 2.5 C698-K509 (PDBs: 1IJQ, 3M0C) C698-K509 (PAE: 1.5) C698-K509 (PDBs: 1IJQ, 3M0C), C698-Y679 (PDBs: 1IJQ, 3M0C), C698-C711 (PDBs: 1IJQ, 3M0C), C698-S710 (PDBs: 1IJQ, 3M0C), C698-L703 (PDBs: 1IJQ, 3M0C), C698-L704 (PDBs: 1IJQ, 3M0C) C698-M702 (PAE: 2.0), C698-K509 (PAE: 1.5), C698-Y679 (PAE: 2.0), C698-C711 (PAE: 2.5), C698-S710 (PAE: 2.0), C698-L703 (PAE: 2.0), C698-L704 (PAE: 2.0) C698-C711 (PDBs: 1IJQ, 3M0C) C698-C711 (PAE: 2.5) 16.0300 2.6074 9.8076 3.6180 699 P Proline Special, No backbone hydrogen C (loop/coil) C (loop/coil) 27 -57.1 164.4 94.62 Low-density lipoprotein receptor EGF-like 3 Extracellular 115 -1.6 P699-Y679 (PDBs: 1IJQ, 3M0C), P699-C711 (PDBs: 1IJQ, 3M0C), P699-K509 (PDBs: 3M0C) P699-Y679 (PAE: 1.5), P699-R508 (PAE: 2.0) 5.5600 0.5462 1.3946 3.6180 700 D Aspartic Acid Negatively-charged C (loop/coil) T (turn) 77 -60.3 135.1 91.75 Low-density lipoprotein receptor EGF-like 3 Extracellular 132 -3.5 D700-T510 (PDBs: 1IJQ, 3M0C) D700-T510 (PAE: 2.0) D700-K509 (PDBs: 1IJQ, 3M0C), D700-T510 (PDBs: 1IJQ, 3M0C) D700-K509 (PAE: 2.0), D700-T510 (PAE: 2.0) 8.6000 0.8622 4.1178 3.6180 701 G Glycine Special, lack of a chiral carbon, smallest amino acid, very flexible C (loop/coil) T (turn) 61 82.4 -3.7 88.94 Low-density lipoprotein receptor EGF-like 3 Extracellular 75 -0.4 5.0100 1.8506 -0.4566 3.6180 702 M Methionine Aliphatic B (undefined) E (parallel sheets) 55 -112.5 143.7 92.62 Low-density lipoprotein receptor EGF-like 3 Extracellular 149 1.9 M702-T713 (PDBs: 1IJQ, 3M0C), M702-C711 (PDBs: 1IJQ, 3M0C), M702-L712 (PDBs: 1IJQ, 3M0C) M702-T713 (PAE: 2.0), M702-C698 (PAE: 2.0), M702-C711 (PAE: 2.0), M702-L712 (PAE: 2.5) 7.7700 0.3196 3.8287 3.6180 703 L Leucine Aliphatic B (undefined) E (parallel sheets) 92 -102.9 148.0 90.12 Low-density lipoprotein receptor EGF-like 3 Extracellular 131 3.8 L703-L712 (PDBs: 1IJQ, 3M0C) L703-L712 (PAE: 2.0) L703-C698 (PDBs: 1IJQ, 3M0C), L703-C711 (PDBs: 1IJQ, 3M0C), L703-L712 (PDBs: 1IJQ, 3M0C) L703-C698 (PAE: 2.0), L703-C711 (PAE: 2.0), L703-L712 (PAE: 2.0) 8.6600 0.3196 4.7228 3.6180 704 L Leucine Aliphatic B (undefined) E (parallel sheets) 62 -68.5 127.1 90.75 Low-density lipoprotein receptor EGF-like 3 Extracellular 131 3.8 L704-R709 (PDBs: 1IJQ), L704-C696 (PDBs: 1IJQ, 3M0C), L704-S710 (PDBs: 1IJQ, 3M0C), L704-M708 (PDBs: 1IJQ, 3M0C), L704-C698 (PDBs: 1IJQ, 3M0C) L704-R709 (PAE: 2.0), L704-C696 (PAE: 2.0), L704-S710 (PAE: 2.0), L704-M708 (PAE: 2.0), L704-C698 (PAE: 2.0) 6.8100 0.3196 2.8752 3.6180 705 A Alanine Aliphatic H (helix) P (polyproline helix) 12 -67.1 165.0 90.62 Low-density lipoprotein receptor EGF-like 3 Extracellular 89 1.8 A705-S710 (PDBs: 1IJQ, 3M0C) A705-S710 (PAE: 3.5) A705-L712 (PDBs: 1IJQ, 3M0C), A705-S710 (PDBs: 1IJQ, 3M0C) A705-L712 (PAE: 2.5), A705-S710 (PAE: 3.5) 7.3000 0.7136 2.9687 3.6180 706 R Arginine Positively-charged C (loop/coil) T (turn) 179 -62.1 -15.2 88.44 Low-density lipoprotein receptor EGF-like 3 Extracellular 175 -4.5 R706-T724 (PAE: 11.5) 2.1600 -1.0025 -0.4566 3.6180 707 D Aspartic Acid Negatively-charged C (loop/coil) T (turn) 80 -78.2 -3.9 89.38 Low-density lipoprotein receptor EGF-like 3 Extracellular 132 -3.5 5.2000 0.8622 0.7185 3.6180 708 M Methionine Aliphatic Beta strand C (loop/coil) S (bend) 119 60.7 20.4 88.56 Low-density lipoprotein receptor EGF-like 3 Extracellular 149 1.9 M708-C696 (PDBs: 1IJQ, 3M0C), M708-L704 (PDBs: 1IJQ, 3M0C) M708-C696 (PAE: 2.0), M708-L704 (PAE: 2.0) 4.0800 0.3196 0.1464 3.6180 709 R Arginine Positively-charged Beta strand C (loop/coil) S (bend) 132 -138.2 -38.6 89.69 Low-density lipoprotein receptor EGF-like 3 Extracellular 175 -4.5 R709-Q678 (PDBs: 1IJQ, 3M0C) R709-Q678 (PAE: 2.0) R709-L704 (PDBs: 1IJQ), R709-Q678 (PDBs: 1IJQ, 3M0C), R709-G676 (PDBs: 1IJQ, 3M0C), R709-C696 (PDBs: 1IJQ, 3M0C) R709-C677 (PAE: 2.0), R709-Q678 (PAE: 2.0), R709-G676 (PAE: 2.0), R709-C696 (PAE: 2.0), R709-L704 (PAE: 2.0) 7.3400 -1.0025 4.7207 3.6180 710 S Serine Polar/Neutral Beta strand C (loop/coil) C (loop/coil) 40 -94.4 159.9 92.19 Low-density lipoprotein receptor EGF-like 3 Extracellular 105 -0.8 S710-A705 (PDBs: 1IJQ, 3M0C) S710-A705 (PAE: 3.5) S710-L704 (PDBs: 1IJQ, 3M0C), S710-A705 (PDBs: 1IJQ, 3M0C), S710-C698 (PDBs: 1IJQ, 3M0C), S710-Q678 (PDBs: 1IJQ, 3M0C) S710-L704 (PAE: 2.0), S710-A705 (PAE: 3.5), S710-C698 (PAE: 2.0), S710-Q678 (PAE: 2.5) 4.2800 -1.0776 1.7378 3.6180 711 C Cysteine Special, a very reactive sulfhydryl group Beta strand B (undefined) E (parallel sheets) 12 -113.3 131.5 93.06 Low-density lipoprotein receptor Disulfide bond 698-711 EGF-like 3 Extracellular 121 2.5 C711-Q678 (PDBs: 1IJQ, 3M0C) C711-Q678 (PAE: 2.5) C711-Y679 (PDBs: 1IJQ, 3M0C), C711-C698 (PDBs: 1IJQ, 3M0C), C711-L703 (PDBs: 1IJQ, 3M0C), C711-M702 (PDBs: 1IJQ, 3M0C), C711-Q678 (PDBs: 1IJQ, 3M0C), C711-P699 (PDBs: 1IJQ, 3M0C) C711-M702 (PAE: 2.0), C711-Q678 (PAE: 2.5), C711-L703 (PAE: 2.0), C711-C698 (PAE: 2.5) C711-C698 (PDBs: 1IJQ, 3M0C) C711-C698 (PAE: 2.5) 15.9500 2.6074 9.7216 3.6180 712 L Leucine Aliphatic Beta strand B (undefined) E (parallel sheets) 48 -117.5 142.8 92.5 Low-density lipoprotein receptor EGF-like 3 Extracellular 131 3.8 L712-L703 (PDBs: 1IJQ, 3M0C) L712-L703 (PAE: 2.0) L712-L703 (PDBs: 1IJQ, 3M0C), L712-A705 (PDBs: 1IJQ, 3M0C), L712-M702 (PDBs: 1IJQ, 3M0C) L712-L703 (PAE: 2.0), L712-E716 (PAE: 6.5), L712-A705 (PAE: 2.5), L712-M702 (PAE: 2.5) 9.6100 0.3196 5.6763 3.6180 713 T Threonine Polar/Neutral Beta strand B (undefined) E (parallel sheets) 52 -66.9 158.5 89.88 Low-density lipoprotein receptor Extracellular 119 -0.7 Morphology: RDMRSCLtEAEAAVA T713-A717 (PAE: 4.0) T713-M702 (PDBs: 1IJQ, 3M0C) T713-M702 (PAE: 2.0), T713-A717 (PAE: 4.0) 5.1700 -1.6869 5.0003 1.8539 714 E Glutamic Acid Negatively-charged H (helix) H (α-helix) 136 -55.8 -36.0 77.44 Low-density lipoprotein receptor Extracellular 146 -3.5 dbSNP: rs869320652; Variant type: LP/P; AA change: Glu714Lys; PTM type: Phosphorylation; PTM morphology: MRSCLtE*AEAA; Var class: II E714-A718 (PAE: 2.5) E714-A718 (PAE: 2.5) 4.1700 -0.4423 2.7572 1.8539 715 A Alanine Aliphatic H (helix) H (α-helix) 72 -62.5 -45.0 75.81 Low-density lipoprotein receptor Extracellular 89 1.8 A715-V719 (PAE: 3.5) A715-V719 (PAE: 3.5) 5.3200 0.7136 2.7572 1.8539 716 E Glutamic Acid Negatively-charged H (helix) H (α-helix) 96 -71.0 -37.4 76.62 Low-density lipoprotein receptor Extracellular 146 -3.5 E716-A720 (PAE: 4.5) E716-L712 (PAE: 6.5), E716-A720 (PAE: 4.5) 5.3400 -0.4423 3.9323 1.8539 717 A Alanine Aliphatic H (helix) H (α-helix) 22 -63.2 -39.3 66.44 Low-density lipoprotein receptor Extracellular 89 1.8 A717-T721 (PAE: 5.0), A717-T713 (PAE: 4.0) A717-T721 (PAE: 5.0), A717-T713 (PAE: 4.0) 7.4500 0.7136 4.8858 1.8539 718 A Alanine Aliphatic H (helix) H (α-helix) 51 -62.2 -40.0 67.44 Low-density lipoprotein receptor Extracellular 89 1.8 A718-E714 (PAE: 2.5) A718-Q722 (PAE: 6.0), A718-E714 (PAE: 2.5) 6.5000 0.7136 3.9323 1.8539 719 V Valine Aliphatic H (helix) H (α-helix) 80 -68.7 -42.2 66.31 Low-density lipoprotein receptor Extracellular 117 4.2 V719-A715 (PAE: 3.5), V719-E723 (PAE: 6.0) V719-A715 (PAE: 3.5), V719-E723 (PAE: 6.0) 6.1100 0.3196 3.9323 1.8539 720 A Alanine Aliphatic H (helix) H (α-helix) 39 -63.7 -29.6 59.56 Low-density lipoprotein receptor Extracellular 89 1.8 A720-E716 (PAE: 4.5), A720-T724 (PAE: 7.0) A720-E716 (PAE: 4.5), A720-T724 (PAE: 7.0) 4.7700 0.7136 2.1982 1.8539 721 T Threonine Polar/Neutral H (helix) H (α-helix) 69 -75.1 -31.4 58.16 Low-density lipoprotein receptor Clustered O-linked oligosaccharides Extracellular 119 -0.7 Morphology: EAEAAVAtQEtstVR T721-S725 (PAE: 6.5), T721-A717 (PAE: 5.0) T721-S725 (PAE: 6.5), T721-A717 (PAE: 5.0) 2.9300 -1.6869 2.1982 2.4190 722 Q Glutamine Polar/Neutral H (helix) H (α-helix) 137 -73.5 -39.8 52.31 Low-density lipoprotein receptor Clustered O-linked oligosaccharides Extracellular 146 -3.5 Q722-T726 (PAE: 6.5) Q722-T726 (PAE: 6.5), Q722-A718 (PAE: 6.0) 1.9700 -1.4758 1.0231 2.4190 723 E Glutamic Acid Negatively-charged H (helix) H (α-helix) 126 -65.6 -32.1 52.19 Low-density lipoprotein receptor Clustered O-linked oligosaccharides Extracellular 146 -3.5 E723-V719 (PAE: 6.0) E723-V719 (PAE: 6.0), E723-V727 (PAE: 7.0) 3.0000 -0.4423 1.0231 2.4190 724 T Threonine Polar/Neutral H (helix) H (α-helix) 73 -72.7 -17.0 49.53 Low-density lipoprotein receptor Phosphothreonine Clustered O-linked oligosaccharides Extracellular 119 -0.7 Morphology: AAVAtQEtstVRLkV T724-R706 (PAE: 11.5), T724-A720 (PAE: 7.0) T724-A720 (PAE: 7.0) 1.0800 -1.6869 0.3506 2.4190 725 S Serine Polar/Neutral H (helix) H (α-helix) 79 -87.4 -33.5 48.03 Low-density lipoprotein receptor Clustered O-linked oligosaccharides Extracellular 105 -0.8 Morphology: AVAtQEtstVRLkVs S725-T721 (PAE: 6.5) S725-T721 (PAE: 6.5) 0.5200 -1.0776 -0.8245 2.4190 726 T Threonine Polar/Neutral H (helix) H (α-helix) 92 -82.6 -18.9 45.41 Low-density lipoprotein receptor Clustered O-linked oligosaccharides Extracellular 119 -0.7 Morphology: VAtQEtstVRLkVss dbSNP: rs45508991; Variant type: LB/B; AA change: Thr726Ile; PTM type: Phosphorylation; PTM morphology: VAtQEtst*VRL; Var class: II&rs45508991 T726-Q722 (PAE: 6.5) T726-Q722 (PAE: 6.5) 0.5700 -1.6869 -0.1616 2.4190 727 V Valine Aliphatic H (helix) G (3₁₀-helix) 108 -82.8 -17.7 42.56 Low-density lipoprotein receptor Clustered O-linked oligosaccharides Extracellular 117 4.2 V727-E723 (PAE: 7.0) 3.0400 0.3196 0.3014 2.4190 728 R Arginine Positively-charged H (helix) G (3₁₀-helix) 232 -86.6 -3.0 41.06 Low-density lipoprotein receptor Clustered O-linked oligosaccharides Extracellular 175 -4.5 -2.7000 -1.0025 -4.1122 2.4190 729 L Leucine Aliphatic H (helix) G (3₁₀-helix) 157 -111.5 6.3 41.69 Low-density lipoprotein receptor Clustered O-linked oligosaccharides Extracellular 131 3.8 -1.1900 0.3196 -3.9262 2.4190 730 K Lysine Positively-charged C (loop/coil) C (loop/coil) 191 -123.6 58.2 37.31 Low-density lipoprotein receptor Clustered O-linked oligosaccharides Extracellular 147 -3.9 Morphology: EtstVRLkVsstAVR -1.9400 0.3020 -4.6631 2.4190 731 V Valine Aliphatic C (loop/coil) S (bend) 130 -135.9 100.1 39.34 Low-density lipoprotein receptor Clustered O-linked oligosaccharides Extracellular 117 4.2 -0.7700 0.3196 -3.5092 2.4190 732 S Serine Polar/Neutral C (loop/coil) C (loop/coil) 112 55.2 88.8 35.94 Low-density lipoprotein receptor Clustered O-linked oligosaccharides Extracellular 105 -0.8 Morphology: stVRLkVsstAVRtQ -2.5800 -1.0776 -3.9262 2.4190 733 S Serine Polar/Neutral C (loop/coil) C (loop/coil) 122 -89.7 114.0 42.03 Low-density lipoprotein receptor Clustered O-linked oligosaccharides Extracellular 105 -0.8 Morphology: tVRLkVsstAVRtQH -2.5800 -1.0776 -3.9262 2.4190 734 T Threonine Polar/Neutral C (loop/coil) C (loop/coil) 140 -66.4 124.0 38.69 Low-density lipoprotein receptor Polar residues Clustered O-linked oligosaccharides; Disordered Extracellular 119 -0.7 Morphology: VRLkVsstAVRtQHt -3.9300 -1.6869 -4.6631 2.4190 735 A Alanine Aliphatic C (loop/coil) C (loop/coil) 99 -80.4 129.8 35.53 Low-density lipoprotein receptor Polar residues Clustered O-linked oligosaccharides; Disordered Extracellular 89 1.8 -1.5300 0.7136 -4.6631 2.4190 736 V Valine Aliphatic C (loop/coil) C (loop/coil) 148 -104.2 132.5 38.59 Low-density lipoprotein receptor Polar residues Clustered O-linked oligosaccharides; Disordered Extracellular 117 4.2 -1.9200 0.3196 -4.6631 2.4190 737 R Arginine Positively-charged C (loop/coil) C (loop/coil) 211 -84.3 140.7 33.78 Low-density lipoprotein receptor Polar residues Clustered O-linked oligosaccharides; Disordered Extracellular 175 -4.5 -3.2500 -1.0025 -4.6631 2.4190 738 T Threonine Polar/Neutral C (loop/coil) C (loop/coil) 127 148.8 143.6 36.31 Low-density lipoprotein receptor Polar residues Clustered O-linked oligosaccharides; Disordered Extracellular 119 -0.7 Morphology: VsstAVRtQHtttRP -3.1900 -1.6869 -3.9262 2.4190 739 Q Glutamine Polar/Neutral C (loop/coil) C (loop/coil) 146 -166.9 156.5 35.69 Low-density lipoprotein receptor Polar residues Clustered O-linked oligosaccharides; Disordered Extracellular 146 -3.5 -3.7200 -1.4758 -4.6631 2.4190 740 H Histidine Positively-charged C (loop/coil) C (loop/coil) 145 96.8 99.5 39.19 Low-density lipoprotein receptor Polar residues Clustered O-linked oligosaccharides; Disordered Extracellular 155 -3.2 -3.2500 -1.0025 -4.6631 2.4190 741 T Threonine Polar/Neutral C (loop/coil) C (loop/coil) 103 70.4 102.5 37.44 Low-density lipoprotein receptor Polar residues Clustered O-linked oligosaccharides; Disordered Extracellular 119 -0.7 Morphology: tAVRtQHtttRPVPD -3.9300 -1.6869 -4.6631 2.4190 742 T Threonine Polar/Neutral C (loop/coil) C (loop/coil) 117 87.1 117.5 36.34 Low-density lipoprotein receptor Polar residues Clustered O-linked oligosaccharides; Disordered Extracellular 119 -0.7 Morphology: AVRtQHtttRPVPDT -3.1900 -1.6869 -3.9262 2.4190 743 T Threonine Polar/Neutral C (loop/coil) C (loop/coil) 151 178.7 157.1 38.72 Low-density lipoprotein receptor Polar residues Clustered O-linked oligosaccharides; Disordered Extracellular 119 -0.7 Morphology: VRtQHtttRPVPDTs -3.1900 -1.6869 -3.9262 2.4190 744 R Arginine Positively-charged C (loop/coil) C (loop/coil) 248 -93.2 173.9 39.03 Low-density lipoprotein receptor Polar residues Clustered O-linked oligosaccharides; Disordered Extracellular 175 -4.5 -3.2500 -1.0025 -4.6631 2.4190 745 P Proline Special, No backbone hydrogen C (loop/coil) C (loop/coil) 107 -105.8 178.9 43.78 Low-density lipoprotein receptor Clustered O-linked oligosaccharides; Disordered Extracellular 115 -1.6 -0.9600 0.5462 -3.9262 2.4190 746 V Valine Aliphatic C (loop/coil) C (loop/coil) 136 -148.1 134.9 42.97 Low-density lipoprotein receptor Clustered O-linked oligosaccharides; Disordered Extracellular 117 4.2 -1.1900 0.3196 -3.9262 2.4190 747 P Proline Special, No backbone hydrogen C (loop/coil) C (loop/coil) 117 -109.9 158.6 43.53 Low-density lipoprotein receptor Clustered O-linked oligosaccharides; Disordered Extracellular 115 -1.6 -1.7000 0.5462 -4.6631 2.4190 748 D Aspartic Acid Negatively-charged C (loop/coil) C (loop/coil) 164 -142.4 143.1 41.41 Low-density lipoprotein receptor Clustered O-linked oligosaccharides; Disordered Extracellular 132 -3.5 -0.6500 0.8622 -3.9262 2.4190 749 T Threonine Polar/Neutral C (loop/coil) C (loop/coil) 130 -112.7 143.6 37.31 Low-density lipoprotein receptor Clustered O-linked oligosaccharides; Disordered Extracellular 119 -0.7 -3.9300 -1.6869 -4.6631 2.4190 750 S Serine Polar/Neutral C (loop/coil) C (loop/coil) 115 177.2 153.4 40.88 Low-density lipoprotein receptor Clustered O-linked oligosaccharides; Disordered Extracellular 105 -0.8 Morphology: tRPVPDTsRLPGATP -2.5800 -1.0776 -3.9262 2.4190 751 R Arginine Positively-charged C (loop/coil) C (loop/coil) 227 -168.7 130.9 39.12 Low-density lipoprotein receptor Clustered O-linked oligosaccharides; Disordered Extracellular 175 -4.5 -3.2500 -1.0025 -4.6631 2.4190 752 L Leucine Aliphatic C (loop/coil) C (loop/coil) 166 45.2 160.2 41.66 Low-density lipoprotein receptor Clustered O-linked oligosaccharides; Disordered Extracellular 131 3.8 -1.9200 0.3196 -4.6631 2.4190 753 P Proline Special, No backbone hydrogen C (loop/coil) C (loop/coil) 122 -127.3 -176.0 45.38 Low-density lipoprotein receptor Clustered O-linked oligosaccharides; Disordered Extracellular 115 -1.6 -1.7000 0.5462 -4.6631 2.4190 754 G Glycine Special, lack of a chiral carbon, smallest amino acid, very flexible C (loop/coil) C (loop/coil) 75 -169.7 119.9 36.34 Low-density lipoprotein receptor Clustered O-linked oligosaccharides; Disordered Extracellular 75 -0.4 0.3400 1.8506 -3.9262 2.4190 755 A Alanine Aliphatic C (loop/coil) C (loop/coil) 96 49.1 115.1 38.47 Low-density lipoprotein receptor Clustered O-linked oligosaccharides; Disordered Extracellular 89 1.8 -1.5300 0.7136 -4.6631 2.4190 756 T Threonine Polar/Neutral C (loop/coil) C (loop/coil) 131 -3.2 174.8 37.78 Low-density lipoprotein receptor Clustered O-linked oligosaccharides Extracellular 119 -0.7 -3.9300 -1.6869 -4.6631 2.4190 757 P Proline Special, No backbone hydrogen C (loop/coil) C (loop/coil) 125 -137.8 178.3 40.66 Low-density lipoprotein receptor Clustered O-linked oligosaccharides Extracellular 115 -1.6 -1.7000 0.5462 -4.6631 2.4190 758 G Glycine Special, lack of a chiral carbon, smallest amino acid, very flexible C (loop/coil) C (loop/coil) 75 -179.2 121.6 34.03 Low-density lipoprotein receptor Clustered O-linked oligosaccharides Extracellular 75 -0.4 0.3400 1.8506 -3.9262 2.4190 759 L Leucine Aliphatic C (loop/coil) C (loop/coil) 174 -62.8 144.1 32.41 Low-density lipoprotein receptor Clustered O-linked oligosaccharides Extracellular 131 3.8 -1.9200 0.3196 -4.6631 2.4190 760 T Threonine Polar/Neutral C (loop/coil) C (loop/coil) 137 -152.4 132.2 34.09 Low-density lipoprotein receptor Clustered O-linked oligosaccharides Extracellular 119 -0.7 -3.1900 -1.6869 -3.9262 2.4190 761 T Threonine Polar/Neutral C (loop/coil) C (loop/coil) 136 -56.3 151.4 32.28 Low-density lipoprotein receptor Clustered O-linked oligosaccharides Extracellular 119 -0.7 -3.9300 -1.6869 -4.6631 2.4190 762 V Valine Aliphatic C (loop/coil) C (loop/coil) 128 -116.1 104.5 34.22 Low-density lipoprotein receptor Clustered O-linked oligosaccharides Extracellular 117 4.2 -0.6400 0.3196 -3.3753 2.4190 763 E Glutamic Acid Negatively-charged C (loop/coil) C (loop/coil) 174 -84.2 139.3 31.08 Low-density lipoprotein receptor Clustered O-linked oligosaccharides Extracellular 146 -3.5 -2.1400 -0.4423 -4.1122 2.4190 764 I Isoleucine Aliphatic C (loop/coil) C (loop/coil) 162 -113.9 105.0 32.25 Low-density lipoprotein receptor Clustered O-linked oligosaccharides Extracellular 131 4.5 -0.6400 0.3196 -3.3753 2.4190 765 V Valine Aliphatic C (loop/coil) C (loop/coil) 118 -119.9 132.9 31.44 Low-density lipoprotein receptor Clustered O-linked oligosaccharides Extracellular 117 4.2 -1.9200 0.3196 -4.6631 2.4190 766 T Threonine Polar/Neutral C (loop/coil) C (loop/coil) 123 -51.8 139.4 27.56 Low-density lipoprotein receptor Clustered O-linked oligosaccharides Extracellular 119 -0.7 -3.1900 -1.6869 -3.9262 2.4190 767 M Methionine Aliphatic C (loop/coil) C (loop/coil) 174 -160.0 138.6 33.12 Low-density lipoprotein receptor Clustered O-linked oligosaccharides Extracellular 149 1.9 -1.9200 0.3196 -4.6631 2.4190 768 S Serine Polar/Neutral C (loop/coil) C (loop/coil) 91 -57.6 158.1 29.58 Low-density lipoprotein receptor Clustered O-linked oligosaccharides Extracellular 105 -0.8 -2.5800 -1.0776 -3.9262 2.4190 769 H Histidine Positively-charged C (loop/coil) C (loop/coil) 189 -164.6 143.1 37.59 Low-density lipoprotein receptor Extracellular 155 -3.2 -3.8100 -1.0025 -4.6631 1.8539 770 Q Glutamine Polar/Neutral C (loop/coil) C (loop/coil) 180 -91.2 158.1 34.16 Low-density lipoprotein receptor Extracellular 146 -3.5 -4.2800 -1.4758 -4.6631 1.8539 771 A Alanine Aliphatic C (loop/coil) C (loop/coil) 83 65.1 131.4 34.0 Low-density lipoprotein receptor Extracellular 89 1.8 -1.3600 0.7136 -3.9262 1.8539 772 L Leucine Aliphatic C (loop/coil) C (loop/coil) 174 172.4 129.9 36.66 Low-density lipoprotein receptor Extracellular 131 3.8 -2.4900 0.3196 -4.6631 1.8539 773 G Glycine Special, lack of a chiral carbon, smallest amino acid, very flexible C (loop/coil) C (loop/coil) 71 62.8 152.2 33.31 Low-density lipoprotein receptor Extracellular 75 -0.4 -0.2200 1.8506 -3.9262 1.8539 774 D Aspartic Acid Negatively-charged C (loop/coil) C (loop/coil) 158 -178.7 161.6 36.34 Low-density lipoprotein receptor Extracellular 132 -3.5 -1.9500 0.8622 -4.6631 1.8539 775 V Valine Aliphatic C (loop/coil) C (loop/coil) 136 85.3 130.5 39.06 Low-density lipoprotein receptor Extracellular 117 4.2 -2.4900 0.3196 -4.6631 1.8539 776 A Alanine Aliphatic C (loop/coil) C (loop/coil) 101 -94.5 165.7 32.66 Low-density lipoprotein receptor Extracellular 89 1.8 -2.1000 0.7136 -4.6631 1.8539 777 G Glycine Special, lack of a chiral carbon, smallest amino acid, very flexible C (loop/coil) C (loop/coil) 85 -171.2 142.7 36.56 Low-density lipoprotein receptor Extracellular 75 -0.4 -0.2200 1.8506 -3.9262 1.8539 778 R Arginine Positively-charged C (loop/coil) C (loop/coil) 260 -122.5 151.8 33.22 Low-density lipoprotein receptor Extracellular 175 -4.5 -3.8100 -1.0025 -4.6631 1.8539 779 G Glycine Special, lack of a chiral carbon, smallest amino acid, very flexible C (loop/coil) C (loop/coil) 71 146.7 91.6 37.56 Low-density lipoprotein receptor Extracellular 75 -0.4 -0.2200 1.8506 -3.9262 1.8539 780 N Asparagine Polar/Neutral C (loop/coil) C (loop/coil) 162 64.7 106.1 34.59 Low-density lipoprotein receptor Extracellular 132 -3.5 -3.1500 -1.0776 -3.9262 1.8539 781 E Glutamic Acid Negatively-charged C (loop/coil) C (loop/coil) 149 174.9 124.0 39.22 Low-density lipoprotein receptor Extracellular 146 -3.5 -3.2500 -0.4423 -4.6631 1.8539 782 K Lysine Positively-charged C (loop/coil) C (loop/coil) 177 68.2 99.5 38.69 Low-density lipoprotein receptor Extracellular 147 -3.9 -2.5100 0.3020 -4.6631 1.8539 783 K Lysine Positively-charged C (loop/coil) C (loop/coil) 202 -6.6 170.8 35.97 Low-density lipoprotein receptor Extracellular 147 -3.9 -2.5100 0.3020 -4.6631 1.8539 784 P Proline Special, No backbone hydrogen C (loop/coil) C (loop/coil) 102 -145.4 173.6 42.25 Low-density lipoprotein receptor Extracellular 115 -1.6 -1.5300 0.5462 -3.9262 1.8539 785 S Serine Polar/Neutral C (loop/coil) C (loop/coil) 106 47.8 137.7 39.53 Low-density lipoprotein receptor Extracellular 105 -0.8 -3.8900 -1.0776 -4.6631 1.8539 786 S Serine Polar/Neutral C (loop/coil) C (loop/coil) 102 174.8 147.8 40.44 Low-density lipoprotein receptor Extracellular 105 -0.8 -3.1500 -1.0776 -3.9262 1.8539 787 V Valine Aliphatic C (loop/coil) C (loop/coil) 125 59.4 104.0 39.0 Low-density lipoprotein receptor Extracellular 117 4.2 -0.6000 0.3196 -2.7724 1.8539 788 R Arginine Positively-charged C (loop/coil) C (loop/coil) 237 172.5 67.3 42.91 Low-density lipoprotein receptor Extracellular 175 -4.5 -1.4700 -1.0025 -2.3246 1.8539 789 A Alanine Aliphatic C (loop/coil) C (loop/coil) 82 -114.5 3.1 46.62 Low-density lipoprotein receptor Helical 89 1.8 A789-V793 (PAE: 5.5) 3.3700 0.7136 2.6612 790 L Leucine Aliphatic C (loop/coil) S (bend) 148 -94.4 -7.1 48.03 Low-density lipoprotein receptor Helical 131 3.8 1.3400 0.3196 1.0231 791 S Serine Polar/Neutral C (loop/coil) T (turn) 103 -95.7 -2.9 54.34 Low-density lipoprotein receptor Helical 105 -0.8 S791-P795 (PAE: 3.0) -3.7300 -1.0776 -2.6536 792 I Isoleucine Aliphatic C (loop/coil) T (turn) 116 -105.9 -25.9 59.94 Low-density lipoprotein receptor Helical 131 4.5 I792-I796 (PAE: 2.0) 1.2300 0.3196 0.9095 793 V Valine Aliphatic H (helix) H (α-helix) 89 -72.4 -38.5 64.5 Low-density lipoprotein receptor Helical 117 4.2 V793-V797 (PAE: 2.0) V793-V797 (PAE: 2.0), V793-A789 (PAE: 5.5) 4.2500 0.3196 3.9323 794 L Leucine Aliphatic H (helix) H (α-helix) 116 -61.4 -48.4 69.31 Low-density lipoprotein receptor Helical 131 3.8 L794-L798 (PAE: 1.5) L794-L798 (PAE: 1.5) 3.0800 0.3196 2.7572 795 P Proline Special, No backbone hydrogen H (helix) H (α-helix) 66 -67.5 -30.5 76.38 Low-density lipoprotein receptor Helical 115 -1.6 P795-L799 (PAE: 2.0) P795-S791 (PAE: 3.0), P795-L799 (PAE: 2.0) 4.4800 0.5462 3.9323 796 I Isoleucine Aliphatic H (helix) H (α-helix) 100 -68.9 -44.5 79.12 Low-density lipoprotein receptor Helical 131 4.5 Pocket 3: Mean pLDDT: 85.49, Volume: 335.52 ų, Druggability score: 0.16 0.1615 I796-V800 (PAE: 1.0) I796-V800 (PAE: 1.0), I796-I792 (PAE: 2.0) 3.0800 0.3196 2.7572 797 V Valine Aliphatic H (helix) H (α-helix) 69 -63.3 -41.2 82.25 Low-density lipoprotein receptor Helical 117 4.2 V797-F801 (PAE: 1.0), V797-V793 (PAE: 2.0) V797-F801 (PAE: 1.0), V797-V793 (PAE: 2.0) 4.2500 0.3196 3.9323 798 L Leucine Aliphatic H (helix) H (α-helix) 106 -62.2 -39.0 83.5 Low-density lipoprotein receptor Helical 131 3.8 L798-L802 (PAE: 1.0), L798-L794 (PAE: 1.5) L798-L802 (PAE: 1.0), L798-L794 (PAE: 1.5) 2.8000 0.3196 2.4797 799 L Leucine Aliphatic H (helix) H (α-helix) 109 -64.7 -41.5 85.94 Low-density lipoprotein receptor Helical 131 3.8 Pocket 2: Mean pLDDT: 88.29, Volume: 341.8 ų, Druggability score: 0.17 0.1683 L799-C803 (PAE: 1.0), L799-P795 (PAE: 2.0) L799-C803 (PAE: 1.0), L799-P795 (PAE: 2.0) 2.8000 0.3196 2.4797 800 V Valine Aliphatic H (helix) H (α-helix) 81 -64.4 -43.0 86.38 Low-density lipoprotein receptor Helical 117 4.2 Pocket 3: Mean pLDDT: 85.49, Volume: 335.52 ų, Druggability score: 0.16 0.1615 V800-I796 (PAE: 1.0), V800-L804 (PAE: 1.0) V800-I796 (PAE: 1.0), V800-L804 (PAE: 1.0) 3.9700 0.3196 3.6549 801 F Phenylalanine Aromatic H (helix) H (α-helix) 138 -66.7 -35.4 89.5 Low-density lipoprotein receptor Helical 165 2.8 F801-G805 (PAE: 1.0), F801-V797 (PAE: 1.0) F801-G805 (PAE: 1.0), F801-V797 (PAE: 1.0) 3.8800 1.3991 2.4797 802 L Leucine Aliphatic H (helix) H (α-helix) 115 -65.9 -44.3 89.19 Low-density lipoprotein receptor Helical 131 3.8 Pocket 2: Mean pLDDT: 88.29, Volume: 341.8 ų, Druggability score: 0.17 0.1683 L802-V806 (PAE: 1.0), L802-L798 (PAE: 1.0) L802-V806 (PAE: 1.0), L802-L798 (PAE: 1.0) 2.8000 0.3196 2.4797 803 C Cysteine Special, a very reactive sulfhydryl group H (helix) H (α-helix) 78 -63.3 -41.8 87.44 Low-density lipoprotein receptor Helical 121 2.5 Pocket 2: Mean pLDDT: 88.29, Volume: 341.8 ų, Druggability score: 0.17 0.1683 C803-L799 (PAE: 1.0), C803-F807 (PAE: 1.0) C803-L799 (PAE: 1.0), C803-F807 (PAE: 1.0) 6.2600 2.6074 3.6549 804 L Leucine Aliphatic H (helix) H (α-helix) 89 -64.3 -41.2 88.94 Low-density lipoprotein receptor Helical 131 3.8 Pocket 3: Mean pLDDT: 85.49, Volume: 335.52 ų, Druggability score: 0.16 0.1615 L804-V800 (PAE: 1.0), L804-L808 (PAE: 1.0) L804-V800 (PAE: 1.0), L804-L808 (PAE: 1.0) 3.9700 0.3196 3.6549 805 G Glycine Special, lack of a chiral carbon, smallest amino acid, very flexible H (helix) H (α-helix) 31 -64.4 -43.2 89.69 Low-density lipoprotein receptor Helical 75 -0.4 G805-F801 (PAE: 1.0), G805-L809 (PAE: 1.0) G805-F801 (PAE: 1.0), G805-L809 (PAE: 1.0) 5.5100 1.8506 3.6549 806 V Valine Aliphatic H (helix) H (α-helix) 89 -66.4 -39.3 89.44 Low-density lipoprotein receptor Helical 117 4.2 Pocket 2: Mean pLDDT: 88.29, Volume: 341.8 ų, Druggability score: 0.17 0.1683 V806-L802 (PAE: 1.0), V806-W810 (PAE: 1.0) V806-L802 (PAE: 1.0), V806-W810 (PAE: 1.0) 3.9700 0.3196 3.6549 807 F Phenylalanine Aromatic H (helix) H (α-helix) 115 -65.4 -41.2 86.62 Low-density lipoprotein receptor Helical 165 2.8 Pocket 2: Mean pLDDT: 88.29, Volume: 341.8 ų, Druggability score: 0.17 0.1683 F807-K811 (PAE: 1.0), F807-C803 (PAE: 1.0) F807-K811 (PAE: 1.0), F807-C803 (PAE: 1.0) 5.0500 1.3991 3.6549 808 L Leucine Aliphatic H (helix) H (α-helix) 105 -68.5 -39.9 89.19 Low-density lipoprotein receptor Helical 131 3.8 L808-L804 (PAE: 1.0), L808-N812 (PAE: 1.0) L808-L804 (PAE: 1.0), L808-N812 (PAE: 1.0) 3.0800 0.3196 2.7572 809 L Leucine Aliphatic H (helix) H (α-helix) 126 -65.4 -40.2 86.81 Low-density lipoprotein receptor Helical 131 3.8 L809-G805 (PAE: 1.0), L809-W813 (PAE: 2.0) L809-G805 (PAE: 1.0), L809-W813 (PAE: 2.0) 3.0800 0.3196 2.7572 810 W Tryptophan Aromatic H (helix) H (α-helix) 125 -65.5 -43.7 84.25 Low-density lipoprotein receptor Helical 204 -0.9 Pocket 2: Mean pLDDT: 88.29, Volume: 341.8 ų, Druggability score: 0.17 0.1683 W810-R814 (PAE: 1.0), W810-V806 (PAE: 1.0) W810-R814 (PAE: 1.0), W810-V806 (PAE: 1.0) 5.3300 1.3991 3.9323 811 K Lysine Positively-charged H (helix) H (α-helix) 112 -60.5 -42.6 82.88 Low-density lipoprotein receptor Mutation: K -> R. No change. No change; when associated with R-816 and R-830. Insensitive to MYLIP-triggered degradation; when associated with R-816; R-830 and A-839. Required for MYLIP-triggered down-regulation of LDLR Cytoplasmic 147 -3.9 K811-F807 (PAE: 1.0), K811-L815 (PAE: 2.0) K811-F807 (PAE: 1.0), K811-L815 (PAE: 2.0) 6.6500 0.3020 3.9323 2.4190 812 N Asparagine Polar/Neutral H (helix) H (α-helix) 88 -73.5 -35.7 81.19 Low-density lipoprotein receptor Required for MYLIP-triggered down-regulation of LDLR Cytoplasmic 132 -3.5 N812-L808 (PAE: 1.0), N812-K816 (PAE: 2.0) N812-L808 (PAE: 1.0), N812-K816 (PAE: 2.0) 5.2700 -1.0776 3.9323 2.4190 813 W Tryptophan Aromatic H (helix) H (α-helix) 156 -67.1 -40.6 78.38 Low-density lipoprotein receptor Required for MYLIP-triggered down-regulation of LDLR Cytoplasmic 204 -0.9 W813-N817 (PAE: 2.0), W813-L809 (PAE: 2.0) W813-N817 (PAE: 2.0), W813-L809 (PAE: 2.0) 6.5800 1.3991 2.7572 2.4190 814 R Arginine Positively-charged H (helix) H (α-helix) 130 -64.0 -45.0 77.5 Low-density lipoprotein receptor Required for MYLIP-triggered down-regulation of LDLR Cytoplasmic 175 -4.5 R814-W810 (PAE: 1.0), R814-I818 (PAE: 3.5) R814-W810 (PAE: 1.0), R814-I818 (PAE: 3.5) 5.3500 -1.0025 3.9323 2.4190 815 L Leucine Aliphatic H (helix) H (α-helix) 98 -62.1 -36.6 70.69 Low-density lipoprotein receptor Required for MYLIP-triggered down-regulation of LDLR Cytoplasmic 131 3.8 L815-K811 (PAE: 2.0) L815-N819 (PAE: 4.0), L815-K811 (PAE: 2.0) 4.9400 0.3196 2.1982 2.4190 816 K Lysine Positively-charged H (helix) H (α-helix) 151 -76.7 -26.6 70.88 Low-density lipoprotein receptor Mutation: K -> R. No change. No change; when associated with R-830. No change; when associated with R-811 and R-830. Insensitive to MYLIP-triggered degradation; when associated with R-830 and A-839. Insensitive to MYLIP-triggered degradation; when associated with R-811; R-830 and A-839. Required for MYLIP-triggered down-regulation of LDLR Cytoplasmic 147 -3.9 K816-N812 (PAE: 2.0) K816-N812 (PAE: 2.0) 3.7400 0.3020 1.0231 2.4190 817 N Asparagine Polar/Neutral H (helix) H (α-helix) 80 -97.4 -8.5 59.97 Low-density lipoprotein receptor Required for MYLIP-triggered down-regulation of LDLR Cytoplasmic 132 -3.5 N817-W813 (PAE: 2.0) N817-W813 (PAE: 2.0) 2.3600 -1.0776 1.0231 2.4190 818 I Isoleucine Aliphatic H (helix) H (α-helix) 77 -73.2 -25.0 54.19 Low-density lipoprotein receptor Required for MYLIP-triggered down-regulation of LDLR Cytoplasmic 131 4.5 I818-R814 (PAE: 3.5) I818-R814 (PAE: 3.5) 3.6600 0.3196 0.9256 2.4190 819 N Asparagine Polar/Neutral C (loop/coil) T (turn) 134 -78.3 21.4 43.25 Low-density lipoprotein receptor Required for MYLIP-triggered down-regulation of LDLR Cytoplasmic 132 -3.5 N819-L815 (PAE: 4.0) -0.7600 -1.0776 -2.0972 2.4190 820 S Serine Polar/Neutral C (loop/coil) T (turn) 99 -131.0 13.6 42.69 Low-density lipoprotein receptor Required for MYLIP-triggered down-regulation of LDLR Cytoplasmic 105 -0.8 Morphology: WRLKNINsINFDNPV Q:S820-A:E44 (PDBs: 3SO6) Q:S820-A:A101 (PDBs: 3SO6), Q:S820-A:K103 (PDBs: 3SO6) 0.3600 -1.0776 -2.7511 2.4190 1.7725 821 I Isoleucine Aliphatic Beta strand C (loop/coil) S (bend) 132 -134.9 94.4 43.34 Low-density lipoprotein receptor Mutation: I -> A. 3-fold decreased affinity for LDLRAP1.; Mutation: I -> R. 10-fold decreased affinity for LDLRAP1. Required for MYLIP-triggered down-regulation of LDLR Cytoplasmic 131 4.5 Q:I821-A:A101 (PDBs: 3SO6) Q:I821-A:A101 (PDBs: 3SO6), Q:I821-A:Q135 (PDBs: 3SO6), Q:I821-A:T138 (PDBs: 3SO6), Q:I821-A:T100 (PDBs: 3SO6) 1.5900 0.3196 -4.6631 2.4190 3.5166 822 N Asparagine Polar/Neutral Beta strand C (loop/coil) C (loop/coil) 154 -56.4 101.7 34.19 Low-density lipoprotein receptor Required for MYLIP-triggered down-regulation of LDLR Cytoplasmic 132 -3.5 Q:N822-A:T100 (PDBs: 3SO6), Q:N822-A:Y98 (PDBs: 3SO6) Q:N822-A:C99 (PDBs: 3SO6), Q:N822-A:E44 (PDBs: 3SO6), Q:N822-A:T100 (PDBs: 3SO6), Q:N822-A:Y98 (PDBs: 3SO6) 0.9300 -1.0776 -3.9262 2.4190 3.5166 823 F Phenylalanine Aromatic Beta strand C (loop/coil) C (loop/coil) 180 -160.5 74.2 36.38 Low-density lipoprotein receptor NPXY motif Required for MYLIP-triggered down-regulation of LDLR Cytoplasmic 165 2.8 Q:F823-A:C99 (PDBs: 3SO6) Q:F823-A:C99 (PDBs: 3SO6), Q:F823-A:A142 (PDBs: 3SO6), Q:F823-A:Y98 (PDBs: 3SO6), Q:F823-A:T138 (PDBs: 3SO6) 2.6700 1.3991 -4.6631 2.4190 3.5166 824 D Aspartic Acid Negatively-charged Beta strand C (loop/coil) C (loop/coil) 142 -94.1 110.2 39.41 Low-density lipoprotein receptor NPXY motif Required for MYLIP-triggered down-regulation of LDLR Cytoplasmic 132 -3.5 Q:D824-A:K42 (PDBs: 3SO6), Q:D824-A:Y98 (PDBs: 3SO6), Q:D824-A:S97 (PDBs: 3SO6) -1.3800 0.8622 -4.6631 2.4190 825 N Asparagine Polar/Neutral C (loop/coil) C (loop/coil) 87 -144.2 113.8 36.44 Low-density lipoprotein receptor NPXY motif Required for MYLIP-triggered down-regulation of LDLR Cytoplasmic 132 -3.5 dbSNP: rs374045590; Variant type: LP/P; AA change: Asn825Lys; PTM type: Phosphorylation; PTM morphology: LKNINsINFDN*; Var class: II&rs374045590 N825-G593 (PAE: 25.0) Q:N825-A:I93 (PDBs: 3SO6), Q:N825-A:S97 (PDBs: 3SO6), Q:N825-A:I96 (PDBs: 3SO6) Q:N825-A:F145 (PDBs: 3SO6), Q:N825-A:S97 (PDBs: 3SO6), Q:N825-A:I96 (PDBs: 3SO6) 0.9300 -1.0776 -3.9262 2.4190 3.5166 826 P Proline Special, No backbone hydrogen Turn C (loop/coil) C (loop/coil) 123 -91.2 86.4 38.44 Low-density lipoprotein receptor NPXY motif Required for MYLIP-triggered down-regulation of LDLR Cytoplasmic 115 -1.6 dbSNP: rs879255217; Variant type: LP/P; AA change: Pro826Ser; PTM type: Ubiquitylation; PTM morphology: NP*VyQkTTEDE; Var class: II&rs879255217 Q:P826-A:F149 (PDBs: 3SO6) -0.9600 0.5462 -3.9262 2.4190 827 V Valine Aliphatic Turn C (loop/coil) C (loop/coil) 109 -122.0 -16.3 43.12 Low-density lipoprotein receptor NPXY motif Required for MYLIP-triggered down-regulation of LDLR Cytoplasmic 117 4.2 dbSNP: rs137853964; Variant type: US; AA change: Val827Ile; PTM type: Ubiquitylation; PTM morphology: NPV*yQkTTEDE; Var class: II&rs137853964 Q:V827-A:Y94 (PDBs: 3SO6), Q:V827-A:W152 (PDBs: 3SO6) -1.1900 0.3196 -3.9262 2.4190 828 Y Tyrosine Aromatic Turn C (loop/coil) C (loop/coil) 160 -99.3 74.4 37.81 Low-density lipoprotein receptor NPXY motif Mutation: Y -> A. Abolishes interaction with ARRB2. Required for MYLIP-triggered down-regulation of LDLR Cytoplasmic 181 -1.3 Morphology: INFDNPVyQkTTEDE dbSNP: rs28942085; Variant type: LP/P; AA change: Tyr828Cys; PTM type: Ubiquitylation; PTM morphology: NPVy*QkTTEDE; Var class: II&rs28942085 Q:Y828-A:I96 (PDBs: 3SO6), Q:Y828-A:R95 (PDBs: 3SO6), Q:Y828-A:Y94 (PDBs: 3SO6), Q:Y828-A:S97 (PDBs: 3SO6) -0.8400 1.3991 -4.6631 2.4190 829 Q Glutamine Polar/Neutral Turn C (loop/coil) S (bend) 186 -152.9 21.0 35.56 Low-density lipoprotein receptor Mutation: Q -> A. Decreased affinity for LDLRAP1. Required for MYLIP-triggered down-regulation of LDLR Cytoplasmic 146 -3.5 Q:Q829-A:Q114 (PDBs: 3SO6), Q:Q829-A:Y94 (PDBs: 3SO6) Q:Q829-A:Y94 (PDBs: 3SO6) -0.2000 -1.4758 -4.6631 2.4190 3.5166 830 K Lysine Positively-charged C (loop/coil) S (bend) 198 -142.0 43.3 35.38 Low-density lipoprotein receptor Mutation: K -> R. No change. No change; when associated with R-816. No change; when associated with R-811 and R-816. Insensitive to MYLIP-triggered degradation; when associated with A-839. Insensitive to MYLIP-triggered degradation; when associated with R-816 and A-839. Insensitive to MYLIP-triggered degradation; when associated with R-811; R-816 and A-839. Required for MYLIP-triggered down-regulation of LDLR Cytoplasmic 147 -3.9 Morphology: FDNPVyQkTTEDEVH Q:K830-A:W152 (PDBs: 3SO6) -0.1700 0.3020 -4.6631 2.4190 1.7725 831 T Threonine Polar/Neutral C (loop/coil) S (bend) 127 -152.7 55.1 35.06 Low-density lipoprotein receptor Required for MYLIP-triggered down-regulation of LDLR Cytoplasmic 119 -0.7 Q:T831-A:Y94 (PDBs: 3SO6) -3.1900 -1.6869 -3.9262 2.4190 832 T Threonine Polar/Neutral C (loop/coil) S (bend) 139 -155.3 62.6 34.66 Low-density lipoprotein receptor Required for MYLIP-triggered down-regulation of LDLR Cytoplasmic 119 -0.7 -3.1900 -1.6869 -3.9262 2.4190 833 E Glutamic Acid Negatively-charged C (loop/coil) S (bend) 187 -171.4 81.1 36.66 Low-density lipoprotein receptor Required for MYLIP-triggered down-regulation of LDLR Cytoplasmic 146 -3.5 -2.6900 -0.4423 -4.6631 2.4190 834 D Aspartic Acid Negatively-charged C (loop/coil) C (loop/coil) 174 175.9 75.4 36.47 Low-density lipoprotein receptor Required for MYLIP-triggered down-regulation of LDLR Cytoplasmic 132 -3.5 -1.3800 0.8622 -4.6631 2.4190 835 E Glutamic Acid Negatively-charged C (loop/coil) C (loop/coil) 186 -112.2 140.3 37.44 Low-density lipoprotein receptor Required for MYLIP-triggered down-regulation of LDLR Cytoplasmic 146 -3.5 -2.6900 -0.4423 -4.6631 2.4190 836 V Valine Aliphatic C (loop/coil) C (loop/coil) 117 83.8 84.9 32.5 Low-density lipoprotein receptor Required for MYLIP-triggered down-regulation of LDLR Cytoplasmic 117 4.2 -1.1900 0.3196 -3.9262 2.4190 837 H Histidine Positively-charged C (loop/coil) C (loop/coil) 191 -139.9 93.8 31.39 Low-density lipoprotein receptor Required for MYLIP-triggered down-regulation of LDLR Cytoplasmic 155 -3.2 -3.2500 -1.0025 -4.6631 2.4190 838 I Isoleucine Aliphatic C (loop/coil) C (loop/coil) 147 -71.5 123.5 31.08 Low-density lipoprotein receptor Required for MYLIP-triggered down-regulation of LDLR Cytoplasmic 131 4.5 -1.1900 0.3196 -3.9262 2.4190 839 C Cysteine Special, a very reactive sulfhydryl group C (loop/coil) C (loop/coil) 124 -153.3 124.9 31.08 Low-density lipoprotein receptor Mutation: C -> A. No change. Insensitive to MYLIP-triggered degradation; when associated with R-830. Insensitive to MYLIP-triggered degradation; when associated with R-816 and R-830. Insensitive to MYLIP-triggered degradation; when associated with R-811; R-816 and R-830. Required for MYLIP-triggered down-regulation of LDLR Cytoplasmic 121 2.5 1.1000 2.6074 -3.9262 2.4190 840 H Histidine Positively-charged C (loop/coil) C (loop/coil) 179 -70.6 149.1 35.69 Low-density lipoprotein receptor Required for MYLIP-triggered down-regulation of LDLR Cytoplasmic 155 -3.2 -3.2500 -1.0025 -4.6631 2.4190 841 N Asparagine Polar/Neutral C (loop/coil) C (loop/coil) 139 -17.0 136.2 32.88 Low-density lipoprotein receptor Required for MYLIP-triggered down-regulation of LDLR Cytoplasmic 132 -3.5 -3.3200 -1.0776 -4.6631 2.4190 842 Q Glutamine Polar/Neutral C (loop/coil) C (loop/coil) 171 174.6 137.0 36.66 Low-density lipoprotein receptor Required for MYLIP-triggered down-regulation of LDLR Cytoplasmic 146 -3.5 -2.5700 -1.4758 -3.5092 2.4190 843 D Aspartic Acid Negatively-charged C (loop/coil) C (loop/coil) 150 72.7 110.5 37.03 Low-density lipoprotein receptor Required for MYLIP-triggered down-regulation of LDLR Cytoplasmic 132 -3.5 -0.6500 0.8622 -3.9262 2.4190 844 G Glycine Special, lack of a chiral carbon, smallest amino acid, very flexible C (loop/coil) C (loop/coil) 64 94.3 125.9 33.28 Low-density lipoprotein receptor Required for MYLIP-triggered down-regulation of LDLR Cytoplasmic 75 -0.4 dbSNP: rs121908037; Variant type: LP/P; AA change: Gly844Asp; PTM type: Phosphorylation; PTM morphology: G*ysyPsRQMVs; Var class: II&rs121908037 -0.3900 1.8506 -4.6631 2.4190 845 Y Tyrosine Aromatic C (loop/coil) C (loop/coil) 226 104.3 97.0 34.62 Low-density lipoprotein receptor Required for MYLIP-triggered down-regulation of LDLR Cytoplasmic 181 -1.3 Morphology: ICHNQDGysyPsRQM -0.1100 1.3991 -3.9262 2.4190 846 S Serine Polar/Neutral C (loop/coil) C (loop/coil) 103 28.4 122.5 35.25 Low-density lipoprotein receptor Required for MYLIP-triggered down-regulation of LDLR Cytoplasmic 105 -0.8 Morphology: CHNQDGysyPsRQMV -2.5800 -1.0776 -3.9262 2.4190 847 Y Tyrosine Aromatic C (loop/coil) C (loop/coil) 220 -28.6 167.2 30.62 Low-density lipoprotein receptor Required for MYLIP-triggered down-regulation of LDLR Cytoplasmic 181 -1.3 Morphology: HNQDGysyPsRQMVS 0.4400 1.3991 -3.3753 2.4190 848 P Proline Special, No backbone hydrogen C (loop/coil) C (loop/coil) 115 -153.9 167.6 37.81 Low-density lipoprotein receptor Required for MYLIP-triggered down-regulation of LDLR Cytoplasmic 115 -1.6 dbSNP: -; Variant type: Disease; AA change: Pro848Leu; PTM type: Phosphorylation; PTM morphology: GysyP*sRQMVs; Var class: II&- -1.1500 0.5462 -4.1122 2.4190 849 S Serine Polar/Neutral C (loop/coil) C (loop/coil) 111 15.7 131.3 32.88 Low-density lipoprotein receptor Required for MYLIP-triggered down-regulation of LDLR Cytoplasmic 105 -0.8 Morphology: QDGysyPsRQMVSLE -2.0300 -1.0776 -3.3753 2.4190 850 R Arginine Positively-charged C (loop/coil) C (loop/coil) 229 -162.2 115.2 36.16 Low-density lipoprotein receptor Required for MYLIP-triggered down-regulation of LDLR Cytoplasmic 175 -4.5 -3.2500 -1.0025 -4.6631 2.4190 851 Q Glutamine Polar/Neutral C (loop/coil) C (loop/coil) 174 28.5 132.9 36.66 Low-density lipoprotein receptor Required for MYLIP-triggered down-regulation of LDLR Cytoplasmic 146 -3.5 -3.7200 -1.4758 -4.6631 2.4190 852 M Methionine Aliphatic C (loop/coil) C (loop/coil) 189 -47.0 144.9 30.58 Low-density lipoprotein receptor Required for MYLIP-triggered down-regulation of LDLR Cytoplasmic 149 1.9 -1.1900 0.3196 -3.9262 2.4190 853 V Valine Aliphatic C (loop/coil) C (loop/coil) 131 -141.7 122.1 38.28 Low-density lipoprotein receptor Required for MYLIP-triggered down-regulation of LDLR Cytoplasmic 117 4.2 -1.1900 0.3196 -3.9262 2.4190 854 S Serine Polar/Neutral C (loop/coil) C (loop/coil) 97 -74.6 145.3 35.72 Low-density lipoprotein receptor Mutation: S -> A. No effect on receptor internalization.; Mutation: S -> D. Enhances interaction with ARRB2 and receptor internalization. Required for MYLIP-triggered down-regulation of LDLR Cytoplasmic 105 -0.8 -2.5800 -1.0776 -3.9262 2.4190 855 L Leucine Aliphatic C (loop/coil) C (loop/coil) 166 -142.4 104.5 45.41 Low-density lipoprotein receptor Required for MYLIP-triggered down-regulation of LDLR Cytoplasmic 131 3.8 -0.7700 0.3196 -3.5092 2.4190 856 E Glutamic Acid Negatively-charged C (loop/coil) C (loop/coil) 153 -75.6 162.0 39.12 Low-density lipoprotein receptor Required for MYLIP-triggered down-regulation of LDLR Cytoplasmic 146 -3.5 -1.9500 -0.4423 -3.9262 2.4190 857 D Aspartic Acid Negatively-charged C (loop/coil) C (loop/coil) 137 86.9 125.2 42.16 Low-density lipoprotein receptor Required for MYLIP-triggered down-regulation of LDLR Cytoplasmic 132 -3.5 -1.3800 0.8622 -4.6631 2.4190 858 D Aspartic Acid Negatively-charged C (loop/coil) C (loop/coil) 138 98.8 107.5 44.31 Low-density lipoprotein receptor Required for MYLIP-triggered down-regulation of LDLR Cytoplasmic 132 -3.5 -1.3800 0.8622 -4.6631 2.4190 859 V Valine Aliphatic C (loop/coil) C (loop/coil) 132 76.8 103.9 45.69 Low-density lipoprotein receptor Required for MYLIP-triggered down-regulation of LDLR Cytoplasmic 117 4.2 -1.9200 0.3196 -4.6631 2.4190 860 A Alanine Aliphatic C (loop/coil) C (loop/coil) 174 -145.1 360.0 42.56 Low-density lipoprotein receptor Required for MYLIP-triggered down-regulation of LDLR Cytoplasmic 89 1.8 -1.5300 0.7136 -4.6631 2.4190