X6R3I0_HUMAN Loading...

FTO alpha-ketoglutarate dependent dioxygenase

AlphaFold DB , UniProt , Accession X6R3I0, Species HUMAN (Homo sapiens, Human), Gene FTO, Length 129 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1E62.8Low82.2Confident201 Ų201118 Ų11894%0.93959%0.592SS**  0-37.60-77.8152.7147.700115R3 N4E1-R3 PolarHBondContact O-N 3.37Å; E1-N4 PolarHBondContact O-N 2.96Å
2Q75.2Confident82.2Confident157 Ų157113.8 Ų113.873%0.73459%0.588SS**Hα-helixtrans-47.9-35.8-178-75.2-179.3-32.900116.2N4 E5 I6Q2-N4 VanDerWaalsContact C-N 3.27Å; Q2-N4 PolarHBondContact O-N 3.32Å; Q2-E5 PolarHBondContact O-N 3Å; Q2-I6 WeakPolarHBondContact O-CG1 3.38Å; Q2-I6 PolarHBondContact O-N 2.71Å; Q2-I6 VanDerWaalsContact O-N 3.14Å
3R78.3Confident82.2Confident193 Ų193109.8 Ų109.873%0.72858%0.577SS**Hα-helixtrans-58.4-37.8177-175.5-176.5174.3-137.10.3112.4E1 L7E1-R3 PolarHBondContact O-N 3.37Å; R3-L7 HydrophobicContact CG-CD1 3.96Å; R3-L7 HydrophobicContact CG-CG 4.45Å; R3-L7 WeakPolarHBondContact O-CB 3.17Å; R3-L7 WeakPolarHBondContact O-CG 3.42Å; R3-L7 PolarHBondContact O-N 3.14Å
4N83.4Confident82.7Confident102 Ų102108.4 Ų108.455%0.54557%0.569SS.*Hα-helixtrans-76.1-33.1-175.9-69.1-9000111.9E1 Q2 T8E1-N4 PolarHBondContact O-N 2.96Å; Q2-N4 VanDerWaalsContact C-N 3.27Å; Q2-N4 PolarHBondContact O-N 3.32Å; N4-T8 WeakPolarHBondContact O-CB 3.38Å; N4-T8 PolarHBondContact O-N 2.91Å; N4-T8 PolarHBondContact O-OG1 3.15Å
5E77.8Confident82.8Confident131 Ų131105.5 Ų105.561%0.61256%0.558SS**Hα-helixtrans-67.2-45.4174.3-67.4171.1-174.100111.1Q2 L7 T8 A9Q2-E5 PolarHBondContact O-N 3Å; E5-L7 PolarHBondContact O-N 3.48Å; E5-T8 PolarHBondContact O-N 3.04Å; E5-A9 PolarHBondContact O-N 3.17Å
6I88.8Confident82.6Confident102 Ų102102.1 Ų102.152%0.52355%0.549SS..Hα-helixtrans-62-45.1176.2-66.1168.6000110.5Q2 T8 A9 I10Q2-I6 WeakPolarHBondContact O-CG1 3.38Å; Q2-I6 PolarHBondContact O-N 2.71Å; Q2-I6 VanDerWaalsContact O-N 3.14Å; I6-T8 VanDerWaalsContact C-N 3.31Å; I6-T8 PolarHBondContact O-N 3.49Å; I6-A9 PolarHBondContact O-N 3.34Å; I6-I10 HydrophobicContact CG2-CD1 3.63Å; I6-I10 HydrophobicContact CG2-CG1 4.4Å; I6-I10 WeakPolarHBondContact O-CB 3.35Å; I6-I10 VanDerWaalsContact O-CG1 3.28Å; I6-I10 WeakPolarHBondContact O-CG1 3.45Å; I6-I10 PolarHBondContact O-N 3.48Å
7L87.9Confident82.5Confident74 Ų74104.1 Ų104.139%0.38755%0.547SS..Hα-helixtrans-61.3-41.3177.4-76.3171.2000111.6R3 E5 I10 L11R3-L7 HydrophobicContact CG-CD1 3.96Å; R3-L7 HydrophobicContact CG-CG 4.45Å; R3-L7 WeakPolarHBondContact O-CB 3.17Å; R3-L7 WeakPolarHBondContact O-CG 3.42Å; R3-L7 PolarHBondContact O-N 3.14Å; E5-L7 PolarHBondContact O-N 3.48Å; L7-I10 PolarHBondContact O-N 3.42Å; L7-L11 WeakPolarHBondContact O-CB 3.18Å; L7-L11 WeakPolarHBondContact O-CD1 3.28Å; L7-L11 WeakPolarHBondContact O-CG 3.37Å; L7-L11 PolarHBondContact O-N 3.44Å
8T86.8Confident82.7Confident96 Ų96103.7 Ų103.759%0.58954%0.542SS*.Hα-helixtrans-65.7-43.9179.3-56.20000111.7N4 E5 I6 I10 L11 A12N4-T8 WeakPolarHBondContact O-CB 3.38Å; N4-T8 PolarHBondContact O-N 2.91Å; N4-T8 PolarHBondContact O-OG1 3.15Å; E5-T8 PolarHBondContact O-N 3.04Å; I6-T8 VanDerWaalsContact C-N 3.31Å; I6-T8 PolarHBondContact O-N 3.49Å; T8-I10 PolarHBondContact O-N 2.98Å; T8-L11 PolarHBondContact O-N 3.22Å; T8-A12 PolarHBondContact O-N 3.43Å; T8-A12 VanDerWaalsContact O-N 3.15Å
9A80.9Confident82.8Confident63 Ų63102.6 Ų102.652%0.52154%0.537SS..Hα-helixtrans-63.5-4117700000112.4E5 I6 S13E5-A9 PolarHBondContact O-N 3.17Å; I6-A9 PolarHBondContact O-N 3.34Å; A9-S13 PolarHBondContact O-N 3.41Å; A9-S13 PolarHBondContact O-OG 2.8Å
10I91.1Very high82.6Confident80 Ų80101.9 Ų101.941%0.4153%0.533SS..Hα-helixtrans-73.1-39.2178.6-66.3172.8000111I6 L7 T8 A12 S13 L14I6-I10 HydrophobicContact CG2-CD1 3.63Å; I6-I10 HydrophobicContact CG2-CG1 4.4Å; I6-I10 WeakPolarHBondContact O-CB 3.35Å; I6-I10 VanDerWaalsContact O-CG1 3.28Å; I6-I10 WeakPolarHBondContact O-CG1 3.45Å; I6-I10 PolarHBondContact O-N 3.48Å; L7-I10 PolarHBondContact O-N 3.42Å; T8-I10 PolarHBondContact O-N 2.98Å; I10-A12 PolarHBondContact O-N 3.25Å; I10-S13 CarbonylContact O-C 3.56Å; I10-S13 PolarHBondContact O-N 3.48Å; I10-L14 HydrophobicContact CG2-CD1 3.61Å; I10-L14 HydrophobicContact CG2-CG 3.92Å; I10-L14 WeakPolarHBondContact O-CB 3.5Å; I10-L14 WeakPolarHBondContact O-CG 3.32Å; I10-L14 PolarHBondContact O-N 2.95Å
11L91Very high82.3Confident99 Ų99105.6 Ų105.652%0.51854%0.54SS..Hα-helixtrans-58.9-47.4178.1-94.3156.4000111.4L7 T8 S13 L14 T15L7-L11 WeakPolarHBondContact O-CB 3.18Å; L7-L11 WeakPolarHBondContact O-CD1 3.28Å; L7-L11 WeakPolarHBondContact O-CG 3.37Å; L7-L11 PolarHBondContact O-N 3.44Å; T8-L11 PolarHBondContact O-N 3.22Å; L11-S13 VanDerWaalsContact C-N 3.28Å; L11-S13 PolarHBondContact O-N 3.39Å; L11-L14 PolarHBondContact O-N 2.97Å; L11-L14 VanDerWaalsContact O-N 3.17Å; L11-T15 WeakPolarHBondContact O-CB 3.42Å; L11-T15 PolarHBondContact O-N 3.26Å; L11-T15 PolarHBondContact O-OG1 2.85Å; L11-T15 VanDerWaalsContact O-OG1 3.04Å
12A82Confident83.1Confident67 Ų67103 Ų10355%0.55452%0.522SS*.Hα-helixtrans-57-44.8176.100000111.6T8 I10 A16T8-A12 PolarHBondContact O-N 3.43Å; T8-A12 VanDerWaalsContact O-N 3.15Å; I10-A12 PolarHBondContact O-N 3.25Å; A12-A16 WeakPolarHBondContact O-CB 3.49Å; A12-A16 PolarHBondContact O-N 3.46Å
13S82.1Confident83.3Confident62 Ų6299.6 Ų99.643%0.43451%0.506SS..Hα-helixtrans-68.5-34.1178.2-62.80000113.2A9 I10 L11 R17A9-S13 PolarHBondContact O-N 3.41Å; A9-S13 PolarHBondContact O-OG 2.8Å; I10-S13 CarbonylContact O-C 3.56Å; I10-S13 PolarHBondContact O-N 3.48Å; L11-S13 VanDerWaalsContact C-N 3.28Å; L11-S13 PolarHBondContact O-N 3.39Å; S13-R17 WeakPolarHBondContact O-CB 3.44Å; S13-R17 VanDerWaalsContact O-CG 3.26Å; S13-R17 WeakPolarHBondContact O-CG 3.4Å; S13-R17 PolarHBondContact O-N 3.27Å; S13-R17 PolarHBondContact O-NE 2.98Å
14L89.3Confident83.1Confident90 Ų9098.2 Ų98.247%0.47150%0.5SS..Hα-helixtrans-72.6-43.9177.1-75.7174.2000111.3I10 L11 R17 Q18I10-L14 HydrophobicContact CG2-CD1 3.61Å; I10-L14 HydrophobicContact CG2-CG 3.92Å; I10-L14 WeakPolarHBondContact O-CB 3.5Å; I10-L14 WeakPolarHBondContact O-CG 3.32Å; I10-L14 PolarHBondContact O-N 2.95Å; L11-L14 PolarHBondContact O-N 2.97Å; L11-L14 VanDerWaalsContact O-N 3.17Å; L14-R17 PolarHBondContact O-N 3.39Å; L14-Q18 WeakPolarHBondContact O-CB 3.38Å; L14-Q18 PolarHBondContact O-N 3.17Å
15T84.9Confident82.7Confident65 Ų6598.5 Ų98.540%0.39950%0.498SS..Hα-helixtrans-63.6-44.2177.7-58.90000111.3L11 R17 Q18 N19L11-T15 WeakPolarHBondContact O-CB 3.42Å; L11-T15 PolarHBondContact O-N 3.26Å; L11-T15 PolarHBondContact O-OG1 2.85Å; L11-T15 VanDerWaalsContact O-OG1 3.04Å; T15-R17 PolarHBondContact O-N 3.44Å; T15-Q18 PolarHBondContact O-N 3Å; T15-N19 WeakPolarHBondContact O-CB 3.32Å; T15-N19 VanDerWaalsContact O-CG 3.31Å; T15-N19 PolarHBondContact O-N 2.79Å; T15-N19 PolarHBondContact O-ND2 3.19Å
16A79.5Confident82.2Confident51 Ų5193.7 Ų93.742%0.42148%0.481SS..Hα-helixtrans-60-45.4174.300000111.8A12 Q18 N19 L20A12-A16 WeakPolarHBondContact O-CB 3.49Å; A12-A16 PolarHBondContact O-N 3.46Å; A16-Q18 VanDerWaalsContact C-N 3.34Å; A16-Q18 PolarHBondContact O-N 3.04Å; A16-N19 PolarHBondContact O-N 2.98Å; A16-L20 WeakPolarHBondContact O-CB 3.4Å; A16-L20 VanDerWaalsContact O-CG 3.32Å; A16-L20 WeakPolarHBondContact O-CG 3.26Å; A16-L20 PolarHBondContact O-N 2.87Å
17R80.4Confident81.1Confident136 Ų13694.8 Ų94.851%0.51348%0.479SS..Hα-helixtrans-62.6-39176.3-79.5-178.8-73.2-164.20.3112.6S13 L14 T15 R21S13-R17 WeakPolarHBondContact O-CB 3.44Å; S13-R17 VanDerWaalsContact O-CG 3.26Å; S13-R17 WeakPolarHBondContact O-CG 3.4Å; S13-R17 PolarHBondContact O-N 3.27Å; S13-R17 PolarHBondContact O-NE 2.98Å; L14-R17 PolarHBondContact O-N 3.39Å; T15-R17 PolarHBondContact O-N 3.44Å; R17-R21 WeakPolarHBondContact O-CB 3.34Å; R17-R21 VanDerWaalsContact O-CG 3.31Å; R17-R21 WeakPolarHBondContact O-CG 3.48Å; R17-R21 PolarHBondContact O-N 2.88Å
18Q86.6Confident80.1Confident98 Ų9893.4 Ų93.446%0.45848%0.478SS..Hα-helixtrans-67.6-43.1178.8-171.4175.914.200111.6L14 T15 A16 R21 R22L14-Q18 WeakPolarHBondContact O-CB 3.38Å; L14-Q18 PolarHBondContact O-N 3.17Å; T15-Q18 PolarHBondContact O-N 3Å; A16-Q18 VanDerWaalsContact C-N 3.34Å; A16-Q18 PolarHBondContact O-N 3.04Å; Q18-R21 PolarHBondContact O-N 3.48Å; Q18-R22 VanDerWaalsContact NE2-NH2 3.16Å; Q18-R22 WeakPolarHBondContact O-CG 3.38Å; Q18-R22 PolarHBondContact O-N 3.37Å
19N85.6Confident79.1Confident83 Ų8395.6 Ų95.644%0.44448%0.481SS..Hα-helixtrans-64.3-44.4177.8-71-16000111.4T15 A16 R21 R22 E23T15-N19 WeakPolarHBondContact O-CB 3.32Å; T15-N19 VanDerWaalsContact O-CG 3.31Å; T15-N19 PolarHBondContact O-N 2.79Å; T15-N19 PolarHBondContact O-ND2 3.19Å; A16-N19 PolarHBondContact O-N 2.98Å; N19-R21 PolarHBondContact O-N 2.89Å; N19-R22 PolarHBondContact O-N 2.94Å; N19-E23 PolarHBondContact O-N 3.36Å
20L77.3Confident78.1Confident88 Ų88101.9 Ų101.946%0.46149%0.492SS..Hα-helixtrans-61.1-44.4174.7-71.4171.5000111.6A16 R22 E23 W24A16-L20 WeakPolarHBondContact O-CB 3.4Å; A16-L20 VanDerWaalsContact O-CG 3.32Å; A16-L20 WeakPolarHBondContact O-CG 3.26Å; A16-L20 PolarHBondContact O-N 2.87Å; L20-R22 VanDerWaalsContact C-N 3.3Å; L20-R22 PolarHBondContact O-N 3.21Å; L20-E23 PolarHBondContact O-N 3.17Å; L20-W24 WeakPolarHBondContact O-CB 3.4Å; L20-W24 PolarHBondContact O-N 3.33Å
21R77.9Confident76.4Confident180 Ų180100.6 Ų100.668%0.67949%0.49SS*.Hα-helixtrans-56.1-45.8175.9-78.7179.7-178-147.32.1111.5R17 Q18 N19 W24 H25R17-R21 WeakPolarHBondContact O-CB 3.34Å; R17-R21 VanDerWaalsContact O-CG 3.31Å; R17-R21 WeakPolarHBondContact O-CG 3.48Å; R17-R21 PolarHBondContact O-N 2.88Å; Q18-R21 PolarHBondContact O-N 3.48Å; N19-R21 PolarHBondContact O-N 2.89Å; R21-W24 PolarHBondContact O-N 2.98Å; R21-H25 WeakPolarHBondContact O-CB 3.45Å; R21-H25 PolarHBondContact O-CD2 2.9Å; R21-H25 PolarHBondContact O-N 3.39Å
22R79Confident74.7Confident147 Ų147100 Ų10056%0.55549%0.49SS*.Hα-helixtrans-62.6-44.4177.5-71.2177.5-179.5148.1-5.1112.1Q18 N19 L20 H25 A26Q18-R22 VanDerWaalsContact NE2-NH2 3.16Å; Q18-R22 WeakPolarHBondContact O-CG 3.38Å; Q18-R22 PolarHBondContact O-N 3.37Å; N19-R22 PolarHBondContact O-N 2.94Å; L20-R22 VanDerWaalsContact C-N 3.3Å; L20-R22 PolarHBondContact O-N 3.21Å; R22-H25 PolarHBondContact O-N 3.23Å; R22-A26 WeakPolarHBondContact O-CB 3.27Å; R22-A26 PolarHBondContact O-N 3.06Å
23E78.1Confident73.1Confident84 Ų84100.5 Ų100.539%0.39350%0.502SS..Hα-helixtrans-62.9-45179.1-172.2-177.2173.700111.8N19 L20 A26 R27N19-E23 PolarHBondContact O-N 3.36Å; L20-E23 PolarHBondContact O-N 3.17Å; E23-A26 PolarHBondContact O-N 2.92Å; E23-R27 WeakPolarHBondContact O-CB 3.31Å; E23-R27 WeakPolarHBondContact O-CG 3.49Å; E23-R27 PolarHBondContact O-N 3.46Å; E23-R27 IonicContact OE1-CZ 3.13Å; E23-R27 IonicContact OE1-NE 3.71Å; E23-R27 IonicContact OE1-NH1 3.69Å; E23-R27 IonicContact OE1-NH2 2.63Å; E23-R27 PolarHBondContact OE1-NH2 3.43Å
24W75Confident71.5Confident164 Ų164101.7 Ų101.762%0.62152%0.515SS*.Hα-helixtrans-65.5-40.5176.5-78109.7000112.5L20 R21 R27 A28L20-W24 WeakPolarHBondContact O-CB 3.4Å; L20-W24 PolarHBondContact O-N 3.33Å; R21-W24 PolarHBondContact O-N 2.98Å; W24-R27 PolarHBondContact O-N 2.63Å; W24-A28 WeakPolarHBondContact O-CB 3.45Å; W24-A28 PolarHBondContact O-N 3Å
25H74.3Confident69.4Low109 Ų10999.8 Ų99.851%0.50551%0.509SS..Hα-helixtrans-61.5-47.3173.6-90.1-73.4000111.6R21 R22 R27 A28 E29R21-H25 WeakPolarHBondContact O-CB 3.45Å; R21-H25 PolarHBondContact O-CD2 2.9Å; R21-H25 PolarHBondContact O-N 3.39Å; R22-H25 PolarHBondContact O-N 3.23Å; H25-R27 VanDerWaalsContact C-N 3.31Å; H25-R27 PolarHBondContact O-N 3.28Å; H25-A28 WeakPolarHBondContact O-CB 3.43Å; H25-A28 PolarHBondContact O-N 3.43Å; H25-E29 WeakPolarHBondContact O-CG 3.38Å; H25-E29 PolarHBondContact O-N 3.13Å
26A67.6Low67.5Low30 Ų30106.1 Ų106.125%0.24853%0.534CS..Hα-helixtrans-64.7-34.3177.700000112.6R22 E23 R30R22-A26 WeakPolarHBondContact O-CB 3.27Å; R22-A26 PolarHBondContact O-N 3.06Å; E23-A26 PolarHBondContact O-N 2.92Å; A26-R30 WeakPolarHBondContact O-CB 3.48Å; A26-R30 VanDerWaalsContact O-CG 3.27Å; A26-R30 WeakPolarHBondContact O-CG 3.39Å; A26-R30 PolarHBondContact O-N 2.87Å
27R65.8Low66Low125 Ų125112 Ų11247%0.47255%0.553SS.*Hα-helixtrans-67.3-43172.4-77.5-180179.31684.6111.8E23 W24 H25 R30 S31E23-R27 WeakPolarHBondContact O-CB 3.31Å; E23-R27 WeakPolarHBondContact O-CG 3.49Å; E23-R27 PolarHBondContact O-N 3.46Å; E23-R27 IonicContact OE1-CZ 3.13Å; E23-R27 IonicContact OE1-NE 3.71Å; E23-R27 IonicContact OE1-NH1 3.69Å; E23-R27 IonicContact OE1-NH2 2.63Å; E23-R27 PolarHBondContact OE1-NH2 3.43Å; W24-R27 PolarHBondContact O-N 2.63Å; H25-R27 VanDerWaalsContact C-N 3.31Å; H25-R27 PolarHBondContact O-N 3.28Å; R27-R30 PolarHBondContact O-N 3.39Å; R27-S31 WeakPolarHBondContact O-CB 3.37Å; R27-S31 PolarHBondContact O-N 3.43Å; R27-S31 PolarHBondContact O-OG 3.42Å; R27-S31 VanDerWaalsContact O-OG 3.13Å
28A68Low64.6Low45 Ų45109.3 Ų109.337%0.37255%0.548SS..Hα-helixtrans-60.8-49.2175.800000110.7W24 H25 R30 S31 V32W24-A28 WeakPolarHBondContact O-CB 3.45Å; W24-A28 PolarHBondContact O-N 3Å; H25-A28 WeakPolarHBondContact O-CB 3.43Å; H25-A28 PolarHBondContact O-N 3.43Å; A28-R30 PolarHBondContact O-N 3.37Å; A28-S31 WeakPolarHBondContact CA-OG 3.17Å; A28-S31 CarbonylContact O-C 3.58Å; A28-S31 PolarHBondContact O-N 3.41Å; A28-S31 VanDerWaalsContact O-N 3.11Å; A28-S31 PolarHBondContact O-OG 3.28Å; A28-V32 WeakPolarHBondContact O-CG2 3.35Å; A28-V32 PolarHBondContact O-N 3.04Å
29E65.1Low62.8Low141 Ų141108.4 Ų108.466%0.65955%0.551SS**Hα-helixtrans-60.9-42.9177.6-72.6173.3-177.500112.5H25 S31 V32 G33H25-E29 WeakPolarHBondContact O-CG 3.38Å; H25-E29 PolarHBondContact O-N 3.13Å; E29-S31 VanDerWaalsContact C-N 3.31Å; E29-S31 PolarHBondContact O-N 2.9Å; E29-V32 PolarHBondContact O-N 2.88Å; E29-G33 PolarHBondContact O-N 3.18Å
30R60.1Low61.1Low195 Ų195111.9 Ų111.974%0.73656%0.564SS**Hα-helixtrans-64.8-33.9174.2-74.7-177.2-172120.5-1.8113A26 R27 A28A26-R30 WeakPolarHBondContact O-CB 3.48Å; A26-R30 VanDerWaalsContact O-CG 3.27Å; A26-R30 WeakPolarHBondContact O-CG 3.39Å; A26-R30 PolarHBondContact O-N 2.87Å; R27-R30 PolarHBondContact O-N 3.39Å; A28-R30 PolarHBondContact O-N 3.37Å
31S55.3Low59.7Low54 Ų54112.4 Ų112.438%0.37856%0.564SS.*Hα-helixtrans-76-28175.764.80000113.3R27 A28 E29 G33 A34 S35R27-S31 WeakPolarHBondContact O-CB 3.37Å; R27-S31 PolarHBondContact O-N 3.43Å; R27-S31 PolarHBondContact O-OG 3.42Å; R27-S31 VanDerWaalsContact O-OG 3.13Å; A28-S31 WeakPolarHBondContact CA-OG 3.17Å; A28-S31 CarbonylContact O-C 3.58Å; A28-S31 PolarHBondContact O-N 3.41Å; A28-S31 VanDerWaalsContact O-N 3.11Å; A28-S31 PolarHBondContact O-OG 3.28Å; E29-S31 VanDerWaalsContact C-N 3.31Å; E29-S31 PolarHBondContact O-N 2.9Å; S31-G33 VanDerWaalsContact C-N 3.27Å; S31-G33 PolarHBondContact O-N 3.22Å; S31-A34 CarbonylContact O-C 3.57Å; S31-A34 PolarHBondContact O-N 3.11Å; S31-S35 PolarHBondContact O-N 3.49Å
32V54.9Low58.3Low87 Ų87110.6 Ų110.653%0.52756%0.558SS.*Hα-helixtrans-68.9-26.7177.6169.30000111.4A28 E29 A34 S35 L38A28-V32 WeakPolarHBondContact O-CG2 3.35Å; A28-V32 PolarHBondContact O-N 3.04Å; E29-V32 PolarHBondContact O-N 2.88Å; V32-A34 PolarHBondContact O-N 2.85Å; V32-S35 PolarHBondContact O-N 2.7Å; V32-L38 HydrophobicContact CG2-CD1 4.12Å
33G47.9Very low57.1Low77 Ų77109.3 Ų109.379%0.79456%0.562SS**THydrogen-bonded Turntrans-68-12.3169.500000115E29 S31E29-G33 PolarHBondContact O-N 3.18Å; S31-G33 VanDerWaalsContact C-N 3.27Å; S31-G33 PolarHBondContact O-N 3.22Å
34A48.2Very low55.9Low86 Ų86108.5 Ų108.571%0.71156%0.56SS**THydrogen-bonded Turntrans-120.27.7179.700000113.2S31 V32S31-A34 CarbonylContact O-C 3.57Å; S31-A34 PolarHBondContact O-N 3.11Å; V32-A34 PolarHBondContact O-N 2.85Å
35S45.2Very low54.8Low50 Ų50105.5 Ų105.535%0.3556%0.555SS.*  trans-143.780.3-176.3-64.30000110.4S31 V32 E37S31-S35 PolarHBondContact O-N 3.49Å; V32-S35 PolarHBondContact O-N 2.7Å; S35-E37 PolarHBondContact O-N 3.25Å
36H45.5Very low53.6Low199 Ų199110.2 Ų110.292%0.92157%0.568SS**SBendtrans-67.29.8160.9-147-82.8000112.6
37E48.8Very low52.6Low175 Ų175112 Ų11282%0.81858%0.579SS**  trans-142.865.9176.3-62.9-169.4-178.800109.6S35 P39S35-E37 PolarHBondContact O-N 3.25Å; E37-P39 WeakPolarHBondContact O-CD 3.21Å
38L49.5Very low52Low78 Ų78115.3 Ų115.341%0.40860%0.6SS.*  trans-84.8114.8157.8-82.1166.9000107.1V32 E40 Y42V32-L38 HydrophobicContact CG2-CD1 4.12Å; L38-E40 PolarHBondContact O-N 3.07Å; L38-Y42 HydrophobicContact CD2-CD2 3.86Å; L38-Y42 HydrophobicContact CD2-CE2 3.72Å
39P49Very low51.2Low79 Ų79120.3 Ų120.351%0.51362%0.62SS.*  trans-58.6135.4178.3-2031.4000109.1E37 H41 Y42E37-P39 WeakPolarHBondContact O-CD 3.21Å; P39-H41 WeakPolarHBondContact O-CA 3.44Å; P39-H41 PolarHBondContact O-N 3.31Å; P39-Y42 PolarHBondContact O-N 3.49Å; P39-Y42 VanDerWaalsContact O-N 3.09Å
40E49.7Very low50.8Low156 Ų156115.3 Ų115.373%0.72960%0.6SS**G310 helixtrans-35-17171.6-71.2-75.714400115.8L38 Y42 L43L38-E40 PolarHBondContact O-N 3.07Å; E40-Y42 VanDerWaalsContact C-N 3.27Å; E40-Y42 PolarHBondContact O-N 3.04Å; E40-L43 PolarHBondContact O-N 3.1Å
41H49.8Very low50.7Low100 Ų100108.3 Ų108.346%0.46359%0.588SS.*G310 helixtrans-58-24.4170.2-77.3-74.1000115.9P39 L43 L44P39-H41 WeakPolarHBondContact O-CA 3.44Å; P39-H41 PolarHBondContact O-N 3.31Å; H41-L43 VanDerWaalsContact C-N 3.33Å; H41-L44 PolarHBondContact O-N 3.44Å
42Y48.5Very low50.7Low141 Ų141113 Ų11355%0.55360%0.604SS**G310 helixtrans-73.2-24.6177.6-86.7-87.9000113.4L38 P39 E40 L44L38-Y42 HydrophobicContact CD2-CD2 3.86Å; L38-Y42 HydrophobicContact CD2-CE2 3.72Å; P39-Y42 PolarHBondContact O-N 3.49Å; P39-Y42 VanDerWaalsContact O-N 3.09Å; E40-Y42 VanDerWaalsContact C-N 3.27Å; E40-Y42 PolarHBondContact O-N 3.04Å; Y42-L44 VanDerWaalsContact C-N 3.33Å
43L53Low50.7Low121 Ų121114.6 Ų114.663%0.63461%0.614SS**G310 helixtrans-76-22.4177.7-67.8172.8000112.7E40 H41 I45 R46E40-L43 PolarHBondContact O-N 3.1Å; H41-L43 VanDerWaalsContact C-N 3.33Å; L43-I45 PolarHBondContact O-N 3.23Å; L43-R46 PolarHBondContact O-N 2.9Å
44L53.5Low51.1Low67 Ų67111.6 Ų111.635%0.35158%0.583SS.*G310 helixtrans-65.5-22.3176.7-95.3154.4000113.7H41 Y42 R46 M57H41-L44 PolarHBondContact O-N 3.44Å; Y42-L44 VanDerWaalsContact C-N 3.33Å; L44-R46 VanDerWaalsContact C-N 3.31Å; L44-M57 HydrophobicContact CD1-CE 4.12Å
45I51.6Low51.7Low101 Ų101113.6 Ų113.652%0.51858%0.576SS.*G310 helixtrans-78.3-18.2-178.3-58.7175.7000111.5L43 M58L43-I45 PolarHBondContact O-N 3.23Å; I45-M58 HydrophobicContact CG1-SD 4.17Å
46R48.5Very low52.3Low207 Ų207120 Ų12078%0.78159%0.592SS**G310 helixtrans-89.8-6.9-175.2-141.3-179.9-177.2173.70.5114.6L43 L44 Q48L43-R46 PolarHBondContact O-N 2.9Å; L44-R46 VanDerWaalsContact C-N 3.31Å; R46-Q48 PolarHBondContact O-N 3.05Å
47S46.4Very low53.1Low68 Ų68115.1 Ų115.148%0.47657%0.571SS.*  trans-91.2106.2-178-166.20000111.1N49 V50S47-N49 PolarHBondContact O-N 3.12Å; S47-V50 WeakPolarHBondContact O-CG2 3.33Å
48Q53.8Low53.9Low194 Ų194109.2 Ų109.291%0.90754%0.544SS*.THydrogen-bonded Turntrans-70.77.2-179.2-67.5-177.28.600114.4R46R46-Q48 PolarHBondContact O-N 3.05Å
49N51.6Low54.6Low150 Ų150111 Ų11180%0.80255%0.554SS**THydrogen-bonded Turntrans-121.926.2-175.6-70.2-27.3000114.3S47 G51S47-N49 PolarHBondContact O-N 3.12Å; N49-G51 PolarHBondContact O-N 2.82Å
50V56.1Low55.3Low37 Ų37115.9 Ų115.922%0.22456%0.562CS.*  trans-79.1109.3171.9-109.30000109.4S47 M58S47-V50 WeakPolarHBondContact O-CG2 3.33Å; V50-M58 HydrophobicContact CG2-CE 3.66Å
51G56.9Low55.7Low48 Ų48110 Ų11050%0.49554%0.538SS..  trans-54.7177.5169.900000112.4N49 T53 G54 K55N49-G51 PolarHBondContact O-N 2.82Å; G51-T53 PolarHBondContact O-N 3.38Å; G51-G54 PolarHBondContact O-N 3.14Å; G51-K55 PolarHBondContact O-N 3.13Å
52H55.8Low56.5Low152 Ų152109.8 Ų109.870%0.70454%0.539SS*.Hα-helixtrans-49.7-32.8-174.3-88.3-80.7000114.4R56H52-R56 WeakPolarHBondContact O-CG 3.43Å; H52-R56 PolarHBondContact O-N 3.04Å; H52-R56 VanDerWaalsContact O-N 3.1Å
53T54.8Low57.2Low120 Ų120106.2 Ų106.274%0.73653%0.534SS*.Hα-helixtrans-65.2-42.4176.3-14.30000112.5G51 R56 M57G51-T53 PolarHBondContact O-N 3.38Å; T53-R56 PolarHBondContact O-N 2.61Å; T53-M57 PolarHBondContact O-N 2.88Å
54G56.6Low57.5Low15 Ų15108.8 Ų108.816%0.15554%0.535CS..Hα-helixtrans-71.9-36.5178.300000113.2G51 R56 M57 M58G51-G54 PolarHBondContact O-N 3.14Å; G54-R56 VanDerWaalsContact C-N 3.35Å; G54-R56 PolarHBondContact O-N 3.01Å; G54-M57 PolarHBondContact O-N 2.88Å; G54-M58 PolarHBondContact O-N 3.16Å
55K60.4Low57.6Low127 Ų127109.4 Ų109.455%0.55254%0.538SS*.Hα-helixtrans-62.1-41.1171.5-65.7-179.8-176.2176.80111.8G51 M58 L59G51-K55 PolarHBondContact O-N 3.13Å; K55-M58 PolarHBondContact O-N 3.47Å; K55-L59 WeakPolarHBondContact O-CB 3.37Å; K55-L59 PolarHBondContact O-N 3.34Å
56R58.2Low57.7Low185 Ų185108.1 Ų108.170%0.69854%0.535SS*.Hα-helixtrans-65.4-38.1174.5-79.4-178.2178.1176.61.5112.5H52 T53 G54 L59 R60H52-R56 WeakPolarHBondContact O-CG 3.43Å; H52-R56 PolarHBondContact O-N 3.04Å; H52-R56 VanDerWaalsContact O-N 3.1Å; T53-R56 PolarHBondContact O-N 2.61Å; G54-R56 VanDerWaalsContact C-N 3.35Å; G54-R56 PolarHBondContact O-N 3.01Å; R56-L59 PolarHBondContact O-N 2.66Å; R56-R60 WeakPolarHBondContact O-CB 3.39Å; R56-R60 WeakPolarHBondContact O-CG 3.28Å; R56-R60 PolarHBondContact O-N 3.09Å
57M63.4Low57.9Low96 Ų96101.3 Ų101.347%0.47352%0.52SS..Hα-helixtrans-69.3-40.6177.8-147.4-179.583.400111.4L44 T53 G54 R60 C61L44-M57 HydrophobicContact CD1-CE 4.12Å; T53-M57 PolarHBondContact O-N 2.88Å; G54-M57 PolarHBondContact O-N 2.88Å; M57-R60 PolarHBondContact O-N 3.35Å; M57-C61 PolarHBondContact O-N 3.5Å; M57-C61 PolarHBondContact O-SG 2.78Å
58M65.4Low57.8Low52 Ų52104 Ų10426%0.25653%0.525SS..Hα-helixtrans-60.1-47.6170.6-97.3-168.9-66.100111.8I45 V50 G54 K55 R60 C61 L62I45-M58 HydrophobicContact CG1-SD 4.17Å; V50-M58 HydrophobicContact CG2-CE 3.66Å; G54-M58 PolarHBondContact O-N 3.16Å; K55-M58 PolarHBondContact O-N 3.47Å; M58-R60 VanDerWaalsContact C-N 3.28Å; M58-R60 PolarHBondContact O-N 3.34Å; M58-C61 PolarHBondContact O-N 3.3Å; M58-C61 VanDerWaalsContact O-N 3.1Å; M58-L62 WeakPolarHBondContact O-CB 3.21Å; M58-L62 PolarHBondContact O-N 3.45Å
59L64.4Low57.4Low116 Ų11698.8 Ų98.861%0.60751%0.506SS*.Hα-helixtrans-59.2-42177.7-160.981.6000111K55 R56 L62 C63K55-L59 WeakPolarHBondContact O-CB 3.37Å; K55-L59 PolarHBondContact O-N 3.34Å; R56-L59 PolarHBondContact O-N 2.66Å; L59-L62 PolarHBondContact O-N 3.48Å; L59-C63 VanDerWaalsContact O-CB 3.28Å; L59-C63 WeakPolarHBondContact O-CB 3.44Å; L59-C63 PolarHBondContact O-N 2.85Å; L59-C63 PolarHBondContact O-SG 3.1Å
60R62.9Low56.7Low181 Ų18194.5 Ų94.568%0.68349%0.488SS*.Hα-helixtrans-64.2-39.4174.8-77.7-178.5178.2-1700.3112.8R56 M57 M58 R64R56-R60 WeakPolarHBondContact O-CB 3.39Å; R56-R60 WeakPolarHBondContact O-CG 3.28Å; R56-R60 PolarHBondContact O-N 3.09Å; M57-R60 PolarHBondContact O-N 3.35Å; M58-R60 VanDerWaalsContact C-N 3.28Å; M58-R60 PolarHBondContact O-N 3.34Å; R60-R64 WeakPolarHBondContact O-CB 3.5Å; R60-R64 WeakPolarHBondContact O-CG 3.35Å; R60-R64 PolarHBondContact O-N 2.89Å
61C59.3Low55.6Low33 Ų3398.6 Ų98.622%0.22350%0.503CS..Hα-helixtrans-68.8-44.6176.8-68.20000111.1M57 M58 C63 R64 L65M57-C61 PolarHBondContact O-N 3.5Å; M57-C61 PolarHBondContact O-SG 2.78Å; M58-C61 PolarHBondContact O-N 3.3Å; M58-C61 VanDerWaalsContact O-N 3.1Å; C61-C63 PolarHBondContact O-N 3.29Å; C61-R64 PolarHBondContact O-N 3.28Å; C61-L65 WeakPolarHBondContact O-CB 3.36Å; C61-L65 WeakPolarHBondContact O-CG 3.47Å; C61-L65 PolarHBondContact O-N 3.25Å
62L64.7Low54.7Low94 Ų94104 Ų10449%0.49252%0.515SS..Hα-helixtrans-60.2-47.2175.7-131.7101.4000110.5M58 L59 R64 L65 T66M58-L62 WeakPolarHBondContact O-CB 3.21Å; M58-L62 PolarHBondContact O-N 3.45Å; L59-L62 PolarHBondContact O-N 3.48Å; L62-R64 VanDerWaalsContact C-N 3.29Å; L62-R64 PolarHBondContact O-N 3.35Å; L62-L65 PolarHBondContact O-N 2.9Å; L62-T66 WeakPolarHBondContact O-CG2 3.45Å; L62-T66 PolarHBondContact O-N 2.88Å; L62-T66 PolarHBondContact O-OG1 3.25Å; L62-T66 VanDerWaalsContact O-OG1 3.12Å
63C63.3Low53.7Low66 Ų66102.9 Ų102.945%0.44651%0.514SS..Hα-helixtrans-61.7-34.8176.4-71.50000112.7L59 C61 T66 S67L59-C63 VanDerWaalsContact O-CB 3.28Å; L59-C63 WeakPolarHBondContact O-CB 3.44Å; L59-C63 PolarHBondContact O-N 2.85Å; L59-C63 PolarHBondContact O-SG 3.1Å; C61-C63 PolarHBondContact O-N 3.29Å; C63-T66 WeakPolarHBondContact CA-OG1 3.35Å; C63-T66 PolarHBondContact O-OG1 3.49Å; C63-T66 VanDerWaalsContact O-OG1 3.05Å; C63-S67 WeakPolarHBondContact O-CB 3.37Å; C63-S67 PolarHBondContact O-N 3.4Å; C63-S67 PolarHBondContact O-OG 3.17Å
64R60.3Low52.9Low176 Ų176100.1 Ų100.166%0.66450%0.5SS*.Hα-helixtrans-70.6-42.8173.9-79.6-176.3-163.9-163.64.4111.9R60 C61 L62 S67 Q68R60-R64 WeakPolarHBondContact O-CB 3.5Å; R60-R64 WeakPolarHBondContact O-CG 3.35Å; R60-R64 PolarHBondContact O-N 2.89Å; C61-R64 PolarHBondContact O-N 3.28Å; L62-R64 VanDerWaalsContact C-N 3.29Å; L62-R64 PolarHBondContact O-N 3.35Å; R64-S67 CarbonylContact O-C 3.58Å; R64-S67 PolarHBondContact O-N 3.1Å; R64-Q68 WeakPolarHBondContact O-CB 3.5Å; R64-Q68 WeakPolarHBondContact O-CG 3.49Å; R64-Q68 PolarHBondContact O-N 3.19Å
65L54.8Low51.8Low79 Ų79103.6 Ų103.641%0.41451%0.513SS..Hα-helixtrans-62.9-46176.8-74164.1000110.8C61 L62 S67 Q68 T69C61-L65 WeakPolarHBondContact O-CB 3.36Å; C61-L65 WeakPolarHBondContact O-CG 3.47Å; C61-L65 PolarHBondContact O-N 3.25Å; L62-L65 PolarHBondContact O-N 2.9Å; L65-S67 VanDerWaalsContact C-N 3.28Å; L65-S67 PolarHBondContact O-N 3.45Å; L65-Q68 PolarHBondContact O-N 3.45Å; L65-Q68 VanDerWaalsContact O-N 3.14Å; L65-T69 WeakPolarHBondContact O-CG2 3.22Å; L65-T69 PolarHBondContact O-N 2.85Å; L65-T69 PolarHBondContact O-OG1 2.96Å
66T55.3Low50.9Low74 Ų74102.7 Ų102.745%0.45452%0.517SS..Hα-helixtrans-65.6-32.317558.20000112.4L62 C63 T69 S70L62-T66 WeakPolarHBondContact O-CG2 3.45Å; L62-T66 PolarHBondContact O-N 2.88Å; L62-T66 PolarHBondContact O-OG1 3.25Å; L62-T66 VanDerWaalsContact O-OG1 3.12Å; C63-T66 WeakPolarHBondContact CA-OG1 3.35Å; C63-T66 PolarHBondContact O-OG1 3.49Å; C63-T66 VanDerWaalsContact O-OG1 3.05Å; T66-T69 WeakPolarHBondContact CA-OG1 3.28Å; T66-T69 PolarHBondContact O-OG1 3.21Å; T66-T69 VanDerWaalsContact O-OG1 3.1Å; T66-S70 WeakPolarHBondContact O-CB 3.38Å; T66-S70 PolarHBondContact O-N 3.36Å; T66-S70 PolarHBondContact O-OG 2.63Å; T66-S70 VanDerWaalsContact O-OG 3.04Å
67S51.4Low50Low65 Ų6597.9 Ų97.946%0.45551%0.512SS..Hα-helixtrans-71.5-31.2174.3-60.50000112.2C63 R64 L65 S70 F71C63-S67 WeakPolarHBondContact O-CB 3.37Å; C63-S67 PolarHBondContact O-N 3.4Å; C63-S67 PolarHBondContact O-OG 3.17Å; R64-S67 CarbonylContact O-C 3.58Å; R64-S67 PolarHBondContact O-N 3.1Å; L65-S67 VanDerWaalsContact C-N 3.28Å; L65-S67 PolarHBondContact O-N 3.45Å; S67-S70 WeakPolarHBondContact CA-OG 3.36Å; S67-S70 PolarHBondContact O-OG 3.17Å; S67-S70 VanDerWaalsContact O-OG 3.13Å; S67-F71 VanDerWaalsContact O-CB 3.3Å; S67-F71 WeakPolarHBondContact O-CB 3.3Å; S67-F71 PolarHBondContact O-N 2.85Å
68Q44.6Very low48.5Very low124 Ų124101.2 Ų101.258%0.57952%0.524SS*.Hα-helixtrans-76-38.6174.9-75.3175.6-700111.7R64 L65 S70 F71 Q72R64-Q68 WeakPolarHBondContact O-CB 3.5Å; R64-Q68 WeakPolarHBondContact O-CG 3.49Å; R64-Q68 PolarHBondContact O-N 3.19Å; L65-Q68 PolarHBondContact O-N 3.45Å; L65-Q68 VanDerWaalsContact O-N 3.14Å; Q68-S70 VanDerWaalsContact C-N 3.33Å; Q68-F71 PolarHBondContact O-N 3.33Å; Q68-Q72 PolarHBondContact O-N 3.2Å
69T44.4Very low46.9Very low85 Ų85105.4 Ų105.452%0.52154%0.537SS..Hα-helixtrans-72.9-25.7173.259.90000112.6L65 T66 N73L65-T69 WeakPolarHBondContact O-CG2 3.22Å; L65-T69 PolarHBondContact O-N 2.85Å; L65-T69 PolarHBondContact O-OG1 2.96Å; T66-T69 WeakPolarHBondContact CA-OG1 3.28Å; T66-T69 PolarHBondContact O-OG1 3.21Å; T66-T69 VanDerWaalsContact O-OG1 3.1Å; T69-N73 PolarHBondContact O-N 3.22Å; T69-N73 PolarHBondContact O-ND2 2.96Å
70S37.7Very low45.9Very low59 Ų59108.5 Ų108.541%0.41355%0.546SS..Hα-helixtrans-83-24.4170.472.40000112.7T66 S67 Q68 S74T66-S70 WeakPolarHBondContact O-CB 3.38Å; T66-S70 PolarHBondContact O-N 3.36Å; T66-S70 PolarHBondContact O-OG 2.63Å; T66-S70 VanDerWaalsContact O-OG 3.04Å; S67-S70 WeakPolarHBondContact CA-OG 3.36Å; S67-S70 PolarHBondContact O-OG 3.17Å; S67-S70 VanDerWaalsContact O-OG 3.13Å; Q68-S70 VanDerWaalsContact C-N 3.33Å; S70-S74 VanDerWaalsContact O-CB 3.28Å; S70-S74 WeakPolarHBondContact O-CB 3.33Å; S70-S74 PolarHBondContact O-N 3.3Å; S70-S74 PolarHBondContact O-OG 2.99Å
71F33.8Very low44.9Very low124 Ų124107.7 Ų107.754%0.54455%0.55SS..Hα-helixtrans-66-41.3170.8-141.4-99000111.3S67 Q68 E75S67-F71 VanDerWaalsContact O-CB 3.3Å; S67-F71 WeakPolarHBondContact O-CB 3.3Å; S67-F71 PolarHBondContact O-N 2.85Å; Q68-F71 PolarHBondContact O-N 3.33Å; F71-E75 HydrophobicContact CE1-CG 4.39Å; F71-E75 WeakPolarHBondContact CE1-OE1 3.47Å; F71-E75 WeakPolarHBondContact CE1-OE2 3.4Å; F71-E75 WeakPolarHBondContact CZ-OE1 3.5Å
72Q37.5Very low43.6Very low161 Ų161112 Ų11275%0.75257%0.57SS**Hα-helixtrans-75.2-25.2177.8-72.1-165.3-2200114.3Q68Q68-Q72 PolarHBondContact O-N 3.2Å
73N35.7Very low42.4Very low128 Ų128113.2 Ų113.268%0.68458%0.584SS**Hα-helixtrans-101.5-8.8-177.5-72.1-34.2000115.2T69T69-N73 PolarHBondContact O-N 3.22Å; T69-N73 PolarHBondContact O-ND2 2.96Å
74S38Very low41.4Very low63 Ų63121.2 Ų121.244%0.44161%0.605SS.*Hα-helixtrans-109.1-19178.267.40000114.8S70 F78S70-S74 VanDerWaalsContact O-CB 3.28Å; S70-S74 WeakPolarHBondContact O-CB 3.33Å; S70-S74 PolarHBondContact O-N 3.3Å; S70-S74 PolarHBondContact O-OG 2.99Å; S74-F78 WeakPolarHBondContact O-CB 3.41Å; S74-F78 PolarHBondContact O-N 3.23Å; S74-F78 VanDerWaalsContact O-N 3.16Å
75E33Very low40.6Very low88 Ų88123.6 Ų123.641%0.41161%0.614SS.*Hα-helixtrans-75-26.7175-74.6-163.5141.200113.6F71 S77F71-E75 HydrophobicContact CE1-CG 4.39Å; F71-E75 WeakPolarHBondContact CE1-OE1 3.47Å; F71-E75 WeakPolarHBondContact CE1-OE2 3.4Å; F71-E75 WeakPolarHBondContact CZ-OE1 3.5Å; E75-S77 PolarHBondContact O-N 3.32Å
76V40.4Very low39.7Very low107 Ų107123.8 Ų123.865%0.64862%0.622SS**Hα-helixtrans-70.5-22.3177.9-178.20000112.3
77S39.1Very low39.1Very low84 Ų84126.6 Ų126.659%0.58764%0.639SS**Hα-helixtrans-111.5-28.7-172.8-53.10000114.1E75E75-S77 PolarHBondContact O-N 3.32Å
78F32.7Very low38.5Very low166 Ų166128.1 Ų128.173%0.72865%0.65SS**Hα-helixtrans-86.2-37.1-177.6-169.8-102.9000113.4S74 K80S74-F78 WeakPolarHBondContact O-CB 3.41Å; S74-F78 PolarHBondContact O-N 3.23Å; S74-F78 VanDerWaalsContact O-N 3.16Å; F78-K80 VanDerWaalsContact C-N 3.25Å; F78-K80 PolarHBondContact O-N 3.02Å
79W31.9Very low38.5Very low140 Ų140129.6 Ų129.653%0.5366%0.661SS.*THydrogen-bonded Turntrans-75.5-12.1180-74.7108.3000114.1Q81W79-Q81 VanDerWaalsContact C-N 3.32Å; W79-Q81 PolarHBondContact O-N 2.84Å
80K43.2Very low38.3Very low182 Ų182137.4 Ų137.479%0.79168%0.681SS**THydrogen-bonded Turntrans-78.5-12-179.6-133.3174.4-175.7179.80114F78F78-K80 VanDerWaalsContact C-N 3.25Å; F78-K80 PolarHBondContact O-N 3.02Å
81Q41Very low38.3Very low163 Ų163146 Ų14676%0.76270%0.704SS**SBendtrans-116-4.9-171.2-83.2-176.58.400117W79W79-Q81 VanDerWaalsContact C-N 3.32Å; W79-Q81 PolarHBondContact O-N 2.84Å
82N32.3Very low38.6Very low123 Ų123150.6 Ų150.666%0.65872%0.718SS**  trans-158.893.1177.4-106-53000115R84N82-R84 VanDerWaalsContact C-N 3.29Å; N82-R84 PolarHBondContact O-N 2.93Å
83P40.5Very low39Very low121 Ų121154.6 Ų154.679%0.78673%0.726SS**THydrogen-bonded Turntrans-76.2-5.3179.9-9.624.4000115
84R42.6Very low39.1Very low233 Ų233158.4 Ų158.488%0.87974%0.737SS**THydrogen-bonded Turntrans-112.622.9-163.7-68.2-167.9-179.1-145.72.5117N82N82-R84 VanDerWaalsContact C-N 3.29Å; N82-R84 PolarHBondContact O-N 2.93Å
85R43Very low39.3Very low227 Ų227166.1 Ų166.186%0.85776%0.756SS**  trans-127.97.1175.9-102.3-176.3-179.4-168.71.4116.7T87R85-T87 PolarHBondContact O-N 3.28Å
86S36.6Very low39.4Very low82 Ų82169.6 Ų169.657%0.57378%0.777SS**THydrogen-bonded Turntrans-93.741.6-171.9-169.50000115.4
87T40.9Very low39.3Very low134 Ų134176.2 Ų176.282%0.82279%0.791SS**THydrogen-bonded Turntrans-128-6.1174.653.30000116.1R85R85-T87 PolarHBondContact O-N 3.28Å
88S40.7Very low39.4Very low97 Ų97179.6 Ų179.668%0.67880%0.801SS**SBendtrans-95.8-18-176.866.40000115.9
89L42.6Very low39.3Very low155 Ų155181.6 Ų181.681%0.81281%0.81SS**G310 helixtrans-94.9-5.6-175.3-89.7158.4000115.4R91L89-R91 VanDerWaalsContact C-N 3.3Å; L89-R91 PolarHBondContact O-N 3.44Å
90R40.1Very low39.2Very low248 Ų248180.2 Ų180.294%0.93682%0.822SS**G310 helixtrans-79.8-4.4176.3-108.1-176.5-176.9-167.92114.6
91R38.1Very low38.8Very low239 Ų239177 Ų17790%0.90282%0.823SS**G310 helixtrans-994.1-178.3-88.5-169.8174.7-169.6-0116.1L89L89-R91 VanDerWaalsContact C-N 3.3Å; L89-R91 PolarHBondContact O-N 3.44Å
92R41.5Very low38.2Very low222 Ų222176.5 Ų176.584%0.83883%0.825SS**SBendtrans-110.616.8-174.2-133.7-179.7-174.7-173.41.5116.5
93R45.6Very low38.3Very low245 Ų245176.6 Ų176.693%0.92583%0.83SS**SBendtrans-126.931.2174.7-70.5-170.1178.9179.71.1114
94K38.3Very low37.7Very low208 Ų208177 Ų17790%0.90483%0.83SS**SBendtrans-133.38.3176.4-115.4-171.9-177.5-1740115.3
95R41.1Very low37.1Very low225 Ų225174.4 Ų174.485%0.84983%0.83SS**SBendtrans-115.1152.4160.2-74.4-179.8-167.4165.32.6106.4
96D35.8Very low36.3Very low161 Ų161166.7 Ų166.786%0.86182%0.82SS**SBendtrans94.926.2-175.8-42.5-15000115
97R38.4Very low36.1Very low246 Ų246171.4 Ų171.493%0.92884%0.838SS**SBendtrans-114.516.9164.5-117-169.4-157.1-172.85.6114.8
98L40.9Very low35.5Very low154 Ų154169.4 Ų169.481%0.80683%0.83SS**SBendtrans-144136.5172.2-65.7171.4000107.2
99F31.2Very low35Very low208 Ų208174 Ų17491%0.91284%0.838SS**  trans81.9118.4-162.6-65.1-86.3000113.2
100S30Very low34.3Very low112 Ų112171.4 Ų171.478%0.78383%0.832SS**  cis-156.4141.812.9-1590000109.4
101S32.9Very low33.9Very low115 Ų115165 Ų16580%0.80483%0.826SS**  trans-60.4151.4-179.6-65.80000113.6
102N30.1Very low33.5Very low151 Ų151156.6 Ų156.681%0.80781%0.813SS**  trans-55.8132161.1-77.7-32.1000111.5
103V32.9Very low33Very low125 Ų125153.8 Ų153.876%0.75882%0.815SS**  52.5122126.8-172.10000118.1
104V28.8Very low32.3Very low130 Ų130151.6 Ų151.679%0.78881%0.812SS**  -176.6142.1123.9148.50000110.5
105M29.6Very low31.8Very low179 Ų179146.7 Ų146.788%0.88280%0.804SS**  trans8897.4172.2-66.1-76.2-91.300119.2
106G25.5Very low31.6Very low64 Ų64147.1 Ų147.166%0.6681%0.806SS**  120116.9110.300000118
107L32.4Very low31.6Very low181 Ų181144.1 Ų144.195%0.94880%0.796SS**  trans79139.5154.6-48167.8000116.2
108S28.5Very low31.3Very low92 Ų92139.6 Ų139.664%0.64379%0.789SS**  cis176.6147.1-15.8179.30000104.9
109K31Very low30.7Very low195 Ų195138.9 Ų138.985%0.84879%0.786SS**  trans69.6138.4167.6-70.3161.6172.21790116.2
110S27.9Very low30.5Very low99 Ų99134.7 Ų134.769%0.69278%0.781SS**  cis-173.21538.240.70000108.3
111S32.2Very low30.5Very low114 Ų114134.8 Ų134.880%0.79778%0.782SS**  trans37.7119.6146.960.20000118.2
112G29.6Very low30.6Very low63 Ų63135.4 Ų135.465%0.64978%0.781SS**  127.8139.958.700000107.9
113D29.9Very low30.7Very low163 Ų163139.1 Ų139.187%0.87278%0.783SS**  trans73.6108.4150.8-50.6-28.3000121.7
114F31.6Very low30.8Very low198 Ų198139.3 Ų139.387%0.86879%0.785SS**  trans-15.6124.5140.1-118.9-102.5000115.5
115S27.6Very low31.4Very low105 Ų105137.8 Ų137.873%0.73478%0.778SS**  trans-165.7122.7143.5-152.60000110.6
116W36.4Very low31.7Very low235 Ų235136.1 Ų136.189%0.8977%0.771SS**  trans-89.2134.6156.6-7393.5000107.1
117P37.3Very low32.1Very low98 Ų98142.4 Ų142.464%0.63678%0.783SS**  -146.1140.8128.928.4-8.7000114.7
118L31.9Very low32.3Very low151 Ų151141.1 Ų141.179%0.79178%0.777SS**  47.5142128-67.5157.6000122
119D27.8Very low32.6Very low138 Ų138146 Ų14674%0.73881%0.811SS**  trans79.9103.1149.2-65.3-23.8000120.7
120C26.9Very low32.7Very low121 Ų121143.5 Ų143.582%0.81881%0.809SS**  18.8129.1127.5-62.80000119.2
121S30.4Very low32.9Very low114 Ų114145.8 Ų145.880%0.79782%0.815SS**  trans105139.8133.3-145.40000117.2
122T35.6Very low33Very low127 Ų127147.6 Ų147.678%0.77982%0.816SS**  trans9182159.8-16.80000118.5
123R31.6Very low33.2Very low229 Ų229152.6 Ų152.686%0.86483%0.826SS**  8.1133.1123.8-145.3-173.6-113.2-148.3-1.2118.2
124V34.1Very low33.4Very low130 Ų130151.9 Ų151.979%0.78882%0.823SS**  trans131.6141135.4178.40000113.4
125P42.8Very low33.5Very low98 Ų98148.9 Ų148.964%0.63682%0.82SS**  trans-114.3171.3-150.342.6-30.4000115.7
126I35.8Very low33.9Very low143 Ų143152 Ų15273%0.73383%0.826SS**  trans56.4123.5155-59.6153.7000117.7
127Q34.2Very low33.7Very low196 Ų196145.6 Ų145.692%0.91682%0.821SS**  -155.8133.9125.9-110.2177.31500112.1
128N35.7Very low33.5Very low154 Ų154149.6 Ų149.682%0.82484%0.837SS**  trans-73.4152.1175.4-63.1-31.1000110.8
129S34.8Very low33.6Very low194 Ų194149.5 Ų149.5100%1.35784%0.841SS**  trans-146.50147.262.90000108.8

Retrieved 129 of 129 residues in 33.3 ms (Link to these results)