A0A3Q0KTX9_SCHMA Loading...

Nodulin-like domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KTX9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 979 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
1M59.5Low78.6Confident140 Ų14061.7 Ų61.769%0.6931%0.311SS*.  0-76.70-152.8166-174.600113.5K3 T4 I5 L534M1-K3 PolarHBondContact O-N 3.34Å; M1-K3 VanDerWaalsContact O-N 3.13Å; M1-T4 PolarHBondContact O-N 3.45Å; M1-T4 PolarHBondContact O-OG1 3.17Å; M1-I5 HydrophobicContact CE-CD1 4.17Å; M1-I5 HydrophobicContact CG-CD1 3.69Å; M1-I5 HydrophobicContact CG-CG1 4.45Å; M1-I5 PolarHBondContact O-N 3.49Å; M1-I5 VanDerWaalsContact O-N 3.11Å; M1-L534 HydrophobicContact CE-CD2 4.49Å
2R69.5Low79.3Confident84 Ų8456.7 Ų56.732%0.31729%0.285SS..Hα-helixtrans-47.9-47.6-174-68.1-176-175.4164.44114.4T4 I5 F6 L538 D556R2-T4 PolarHBondContact O-N 3.32Å; R2-I5 PolarHBondContact O-N 3.46Å; R2-F6 HydrophobicContact CB-CE2 4.25Å; R2-F6 WeakPolarHBondContact O-CD2 3.39Å; R2-F6 WeakPolarHBondContact O-CG 3.44Å; R2-F6 PolarHBondContact O-N 3.27Å; R2-F6 VanDerWaalsContact O-N 3.14Å; R2-L538 HydrophobicContact CG-CD1 4.38Å; R2-L538 HydrophobicContact CG-CD2 3.85Å; R2-D556 IonicContact NH2-OD1 3.97Å
3K72.9Confident79.7Confident178 Ų17852.3 Ų52.377%0.77426%0.264SS*.Hα-helixtrans-55.2-49.1175.6-72.1-176.1-179.3176.50113.7M1 F6 T7M1-K3 PolarHBondContact O-N 3.34Å; M1-K3 VanDerWaalsContact O-N 3.13Å; K3-F6 PolarHBondContact O-N 3.48Å; K3-T7 PolarHBondContact O-N 2.91Å; K3-T7 PolarHBondContact O-OG1 3.05Å; K3-T7 VanDerWaalsContact O-OG1 3.07Å
4T79.5Confident79.8Confident89 Ų8948.6 Ų48.655%0.54625%0.245SC..Hα-helixtrans-71.3-35.3-175.647.90000112M1 R2 T7 S8M1-T4 PolarHBondContact O-N 3.45Å; M1-T4 PolarHBondContact O-OG1 3.17Å; R2-T4 PolarHBondContact O-N 3.32Å; T4-T7 PolarHBondContact O-N 3.36Å; T4-S8 PolarHBondContact O-N 2.67Å; T4-S8 PolarHBondContact O-OG 3.02Å
5I80.4Confident80.2Confident6 Ų645.9 Ų45.93%0.03123%0.231CC..Hα-helixtrans-58.9-51.5171.9-70.6171000110.3M1 R2 T7 S8 V9 L531 L534 T535 L538M1-I5 HydrophobicContact CE-CD1 4.17Å; M1-I5 HydrophobicContact CG-CD1 3.69Å; M1-I5 HydrophobicContact CG-CG1 4.45Å; M1-I5 PolarHBondContact O-N 3.49Å; M1-I5 VanDerWaalsContact O-N 3.11Å; R2-I5 PolarHBondContact O-N 3.46Å; I5-T7 VanDerWaalsContact C-N 3.34Å; I5-T7 PolarHBondContact O-N 2.84Å; I5-S8 PolarHBondContact O-N 3.25Å; I5-S8 VanDerWaalsContact O-N 3.1Å; I5-V9 HydrophobicContact CG2-CG2 4.49Å; I5-V9 WeakPolarHBondContact O-CG2 3.27Å; I5-V9 PolarHBondContact O-N 3.26Å; I5-L531 HydrophobicContact CG2-CD1 4.36Å; I5-L534 WeakPolarHBondContact CD1-O 3.49Å; I5-T535 HydrophobicContact CG2-CG2 3.58Å; I5-L538 HydrophobicContact CD1-CD1 3.81Å; I5-L538 HydrophobicContact CG2-CD1 4.44Å
6F79.9Confident80.4Confident21 Ų2143 Ų439%0.09222%0.217CC..Hα-helixtrans-60.6-41.4178-60.7-41.1000112.3R2 K3 S8 V9 F10 L72 C113 L131R2-F6 HydrophobicContact CB-CE2 4.25Å; R2-F6 WeakPolarHBondContact O-CD2 3.39Å; R2-F6 WeakPolarHBondContact O-CG 3.44Å; R2-F6 PolarHBondContact O-N 3.27Å; R2-F6 VanDerWaalsContact O-N 3.14Å; K3-F6 PolarHBondContact O-N 3.48Å; F6-S8 VanDerWaalsContact C-N 3.32Å; F6-S8 PolarHBondContact O-N 3.11Å; F6-V9 PolarHBondContact O-N 3.32Å; F6-F10 WeakPolarHBondContact O-CD2 3.16Å; F6-F10 PolarHBondContact O-N 3.47Å; F6-L72 HydrophobicContact CE1-CD2 3.96Å; F6-C113 HydrophobicContact CD1-CB 4.49Å; F6-C113 WeakPolarHBondContact CD1-SG 3.48Å; F6-L131 HydrophobicContact CB-CD2 4.4Å
7T83.4Confident80.3Confident35 Ų3542.5 Ų42.522%0.21522%0.217CC..Hα-helixtrans-55.4-46.6172.3-56.90000111.7K3 T4 I5 V9 F10 L11 Y130 V134K3-T7 PolarHBondContact O-N 2.91Å; K3-T7 PolarHBondContact O-OG1 3.05Å; K3-T7 VanDerWaalsContact O-OG1 3.07Å; T4-T7 PolarHBondContact O-N 3.36Å; I5-T7 VanDerWaalsContact C-N 3.34Å; I5-T7 PolarHBondContact O-N 2.84Å; T7-V9 PolarHBondContact O-N 2.84Å; T7-F10 PolarHBondContact O-N 3.03Å; T7-L11 PolarHBondContact O-N 3.42Å; T7-Y130 HydrophobicContact CG2-CE1 4.43Å; T7-V134 HydrophobicContact CG2-CG1 3.88Å; T7-V134 HydrophobicContact CG2-CG2 4.1Å; T7-V134 VanDerWaalsContact O-CG1 3.3Å; T7-V134 WeakPolarHBondContact O-CG1 3.3Å
8S85.7Confident80.1Confident58 Ų5840.3 Ų40.341%0.40621%0.206SC..Hα-helixtrans-66-35.2177.8-63.60000113.4T4 I5 F6 F10 L11 L12T4-S8 PolarHBondContact O-N 2.67Å; T4-S8 PolarHBondContact O-OG 3.02Å; I5-S8 PolarHBondContact O-N 3.25Å; I5-S8 VanDerWaalsContact O-N 3.1Å; F6-S8 VanDerWaalsContact C-N 3.32Å; F6-S8 PolarHBondContact O-N 3.11Å; S8-F10 VanDerWaalsContact C-N 3.35Å; S8-L11 PolarHBondContact O-N 2.89Å; S8-L12 VanDerWaalsContact O-CB 3.28Å; S8-L12 WeakPolarHBondContact O-CB 3.37Å; S8-L12 PolarHBondContact O-N 3.05Å
9V84.4Confident80Confident0 Ų038.3 Ų38.30%020%0.195CC..Hα-helixtrans-62.8-44.2174.4175.30000110.2I5 F6 T7 L12 V13 L72 L76 L531I5-V9 HydrophobicContact CG2-CG2 4.49Å; I5-V9 WeakPolarHBondContact O-CG2 3.27Å; I5-V9 PolarHBondContact O-N 3.26Å; F6-V9 PolarHBondContact O-N 3.32Å; T7-V9 PolarHBondContact O-N 2.84Å; V9-L12 PolarHBondContact O-N 2.9Å; V9-V13 HydrophobicContact CG1-CG2 4.44Å; V9-V13 WeakPolarHBondContact O-CB 3.44Å; V9-V13 WeakPolarHBondContact O-CG2 3.42Å; V9-V13 PolarHBondContact O-N 3.14Å; V9-L72 HydrophobicContact CG1-CD1 4.39Å; V9-L72 HydrophobicContact CG2-CD1 4.43Å; V9-L76 HydrophobicContact CG2-CD1 4.1Å; V9-L76 HydrophobicContact CG2-CD2 4.26Å; V9-L531 HydrophobicContact CB-CD2 4.27Å; V9-L531 HydrophobicContact CG2-CD1 4.41Å; V9-L531 HydrophobicContact CG2-CD2 3.71Å; V9-L531 HydrophobicContact CG2-CG 4.18Å
10F82.8Confident79.8Confident6 Ų637.4 Ų37.43%0.02619%0.191CC..Hα-helixtrans-67-39.6179.9-87.7-100.6000112.5F6 T7 S8 V13 G14 L110 C113 L131 V134 F135 M872F6-F10 WeakPolarHBondContact O-CD2 3.16Å; F6-F10 PolarHBondContact O-N 3.47Å; T7-F10 PolarHBondContact O-N 3.03Å; S8-F10 VanDerWaalsContact C-N 3.35Å; F10-V13 PolarHBondContact O-N 3.16Å; F10-G14 PolarHBondContact O-N 2.93Å; F10-L110 HydrophobicContact CD1-CD2 4.32Å; F10-L110 HydrophobicContact CD2-CD2 4.24Å; F10-L110 HydrophobicContact CE1-CD2 3.66Å; F10-L110 HydrophobicContact CE2-CD2 3.55Å; F10-L110 HydrophobicContact CZ-CD2 3.18Å; F10-L110 HydrophobicContact CZ-CG 4.46Å; F10-C113 HydrophobicContact CE2-CB 4.22Å; F10-L131 HydrophobicContact CB-CD2 4.28Å; F10-L131 HydrophobicContact CD1-CB 3.68Å; F10-L131 VanDerWaalsContact CD1-O 3.27Å; F10-L131 WeakPolarHBondContact CD1-O 3.26Å; F10-L131 HydrophobicContact CD2-CB 4.34Å; F10-L131 HydrophobicContact CD2-CD1 4.38Å; F10-L131 HydrophobicContact CD2-CD2 3.87Å; F10-L131 HydrophobicContact CD2-CG 4.42Å; F10-L131 HydrophobicContact CE1-CB 3.95Å; F10-L131 HydrophobicContact CE2-CD1 4.26Å; F10-L131 HydrophobicContact CG-CB 3.93Å; F10-L131 HydrophobicContact CG-CD2 3.9Å; F10-L131 HydrophobicContact CG-CG 4.39Å; F10-L131 HydrophobicContact CZ-CB 4.43Å; F10-V134 HydrophobicContact CB-CB 4.29Å; F10-V134 HydrophobicContact CB-CG1 3.9Å; F10-F135 HydrophobicContact CD1-CB 4.02Å; F10-M872 HydrophobicContact CE1-CB 4.47Å; F10-M872 HydrophobicContact CE1-CE 4.45Å; F10-M872 HydrophobicContact CE1-CG 3.39Å; F10-M872 HydrophobicContact CE2-CE 3.69Å; F10-M872 HydrophobicContact CE2-CG 4.25Å; F10-M872 HydrophobicContact CE2-SD 4.41Å; F10-M872 HydrophobicContact CZ-CE 3.36Å; F10-M872 HydrophobicContact CZ-CG 3.24Å; F10-M872 HydrophobicContact CZ-SD 3.88Å
11L86.4Confident79.4Confident62 Ų6235.7 Ų35.733%0.32518%0.183SC..Hα-helixtrans-65.6-44.5174.8-168.6151.4000111.3T7 S8 V13 G14 L15 V134T7-L11 PolarHBondContact O-N 3.42Å; S8-L11 PolarHBondContact O-N 2.89Å; L11-V13 PolarHBondContact O-N 2.91Å; L11-G14 PolarHBondContact O-N 3.35Å; L11-L15 HydrophobicContact CD2-CD1 3.65Å; L11-L15 HydrophobicContact CD2-CG 4.12Å; L11-L15 WeakPolarHBondContact O-CG 3.49Å; L11-L15 PolarHBondContact O-N 3.15Å; L11-V134 HydrophobicContact CB-CG1 3.96Å
12L87.1Confident79.9Confident1 Ų129.8 Ų29.81%0.00516%0.155CC..Hα-helixtrans-59.8-42.7176.4175.566.6000112.3S8 V9 L15 S16 L76 L524 I527 L531S8-L12 VanDerWaalsContact O-CB 3.28Å; S8-L12 WeakPolarHBondContact O-CB 3.37Å; S8-L12 PolarHBondContact O-N 3.05Å; V9-L12 PolarHBondContact O-N 2.9Å; L12-L15 PolarHBondContact O-N 2.88Å; L12-S16 WeakPolarHBondContact O-CB 3.35Å; L12-S16 PolarHBondContact O-N 2.84Å; L12-S16 PolarHBondContact O-OG 2.96Å; L12-L76 HydrophobicContact CD2-CD2 4.01Å; L12-L524 HydrophobicContact CD1-CD1 3.54Å; L12-L524 HydrophobicContact CD1-CG 4.07Å; L12-I527 HydrophobicContact CD1-CB 4.42Å; L12-I527 HydrophobicContact CD1-CG2 4.05Å; L12-L531 HydrophobicContact CB-CD2 4.23Å; L12-L531 HydrophobicContact CD2-CD2 3.8Å
13V84.4Confident80.1Confident0 Ų025.9 Ų25.90%014%0.14CC..Hα-helixtrans-76.4-30-179.4177.50000111.8V9 F10 L11 S16 T17 L79 V106 L110 F135V9-V13 HydrophobicContact CG1-CG2 4.44Å; V9-V13 WeakPolarHBondContact O-CB 3.44Å; V9-V13 WeakPolarHBondContact O-CG2 3.42Å; V9-V13 PolarHBondContact O-N 3.14Å; F10-V13 PolarHBondContact O-N 3.16Å; L11-V13 PolarHBondContact O-N 2.91Å; V13-S16 PolarHBondContact O-N 3.33Å; V13-T17 WeakPolarHBondContact O-CB 3.05Å; V13-T17 PolarHBondContact O-N 3.41Å; V13-T17 PolarHBondContact O-OG1 3.49Å; V13-L79 HydrophobicContact CG2-CD1 4.01Å; V13-V106 HydrophobicContact CG1-CB 4.33Å; V13-V106 HydrophobicContact CG1-CG1 3.69Å; V13-V106 HydrophobicContact CG1-CG2 3.95Å; V13-L110 HydrophobicContact CB-CD2 4.32Å; V13-L110 HydrophobicContact CG1-CD1 3.65Å; V13-L110 HydrophobicContact CG1-CD2 4.23Å; V13-L110 HydrophobicContact CG1-CG 4.16Å; V13-L110 HydrophobicContact CG2-CD2 4.34Å; V13-F135 HydrophobicContact CG1-CD2 4.36Å; V13-F135 HydrophobicContact CG1-CE2 4.13Å
14G81.5Confident80Confident0 Ų017.4 Ų17.40%010%0.103CC..Hα-helixtrans-60.5-50.9166.300000111.9F10 L11 S16 T17 G18 F135 C139F10-G14 PolarHBondContact O-N 2.93Å; L11-G14 PolarHBondContact O-N 3.35Å; G14-S16 VanDerWaalsContact C-N 3.32Å; G14-S16 PolarHBondContact O-N 3.01Å; G14-T17 WeakPolarHBondContact O-CB 3.46Å; G14-T17 PolarHBondContact O-N 3.14Å; G14-G18 PolarHBondContact O-N 3.04Å; G14-F135 VanDerWaalsContact CA-CD2 3.49Å; G14-F135 WeakPolarHBondContact CA-O 3.37Å; G14-C139 PolarHBondContact O-SG 2.77Å; G14-C139 VanDerWaalsContact O-SG 3.4Å
15L85.2Confident79.2Confident8 Ų814.9 Ų14.94%0.0429%0.086CC..Hα-helixtrans-55.2-46.2172.5-71.2175.4000112.1L11 L12 T17 G18 L19 G138 F141 T142 L145 L524L11-L15 HydrophobicContact CD2-CD1 3.65Å; L11-L15 HydrophobicContact CD2-CG 4.12Å; L11-L15 WeakPolarHBondContact O-CG 3.49Å; L11-L15 PolarHBondContact O-N 3.15Å; L12-L15 PolarHBondContact O-N 2.88Å; L15-T17 PolarHBondContact O-N 3.05Å; L15-T17 VanDerWaalsContact O-N 3.17Å; L15-G18 PolarHBondContact O-N 3.24Å; L15-L19 WeakPolarHBondContact O-CG 3.45Å; L15-L19 PolarHBondContact O-N 3.16Å; L15-G138 WeakPolarHBondContact CD2-O 3.24Å; L15-F141 HydrophobicContact CD2-CB 4.43Å; L15-T142 WeakPolarHBondContact CA-OG1 3.36Å; L15-L145 HydrophobicContact CD1-CD1 4.11Å; L15-L145 HydrophobicContact CD2-CD1 3.64Å; L15-L145 HydrophobicContact CD2-CG 4.28Å; L15-L145 HydrophobicContact CG-CD1 4.46Å; L15-L524 HydrophobicContact CB-CD1 3.78Å; L15-L524 HydrophobicContact CD1-CD1 4.3Å
16S83.3Confident78.6Confident0 Ų014.7 Ų14.70%09%0.085CC..Hα-helixtrans-63.3-20.1177.5-55.90000113.2L12 V13 G14 K45L12-S16 WeakPolarHBondContact O-CB 3.35Å; L12-S16 PolarHBondContact O-N 2.84Å; L12-S16 PolarHBondContact O-OG 2.96Å; V13-S16 PolarHBondContact O-N 3.33Å; G14-S16 VanDerWaalsContact C-N 3.32Å; G14-S16 PolarHBondContact O-N 3.01Å; S16-K45 PolarHBondContact O-NZ 3.19Å
17T79.9Confident78Confident35 Ų3513.8 Ų13.822%0.2158%0.082CC..Hα-helixtrans-91.5-46.9177.7-57.80000111.6V13 G14 L15 L19 I20 F135V13-T17 WeakPolarHBondContact O-CB 3.05Å; V13-T17 PolarHBondContact O-N 3.41Å; V13-T17 PolarHBondContact O-OG1 3.49Å; G14-T17 WeakPolarHBondContact O-CB 3.46Å; G14-T17 PolarHBondContact O-N 3.14Å; L15-T17 PolarHBondContact O-N 3.05Å; L15-T17 VanDerWaalsContact O-N 3.17Å; T17-L19 PolarHBondContact O-N 3.43Å; T17-I20 WeakPolarHBondContact O-CG2 3.24Å; T17-F135 HydrophobicContact CG2-CZ 4.06Å
18G75.5Confident77.1Confident2 Ų215 Ų152%0.0219%0.085CC..Hα-helixtrans-63-23.3-179.200000115G14 L15 I20G14-G18 PolarHBondContact O-N 3.04Å; L15-G18 PolarHBondContact O-N 3.24Å; G18-I20 PolarHBondContact O-N 3.3Å
19L79.8Confident76.1Confident2 Ų217.7 Ų17.71%0.019%0.089CC..THydrogen-bonded Turntrans-69-20-174.2-83.6177.2000114.1L15 T17 G21 P22 S23 T142 V520 Y521 L524L15-L19 WeakPolarHBondContact O-CG 3.45Å; L15-L19 PolarHBondContact O-N 3.16Å; T17-L19 PolarHBondContact O-N 3.43Å; L19-G21 PolarHBondContact O-N 3.39Å; L19-P22 WeakPolarHBondContact O-CD 3.37Å; L19-S23 VanDerWaalsContact O-CB 3.28Å; L19-S23 WeakPolarHBondContact O-CB 3.41Å; L19-S23 PolarHBondContact O-N 3.38Å; L19-S23 PolarHBondContact O-OG 2.95Å; L19-T142 HydrophobicContact CB-CG2 4.05Å; L19-T142 HydrophobicContact CD2-CG2 3.47Å; L19-T142 VanDerWaalsContact CD2-CG2 3.47Å; L19-T142 HydrophobicContact CG-CG2 3.45Å; L19-T142 VanDerWaalsContact CG-CG2 3.45Å; L19-T142 VanDerWaalsContact N-CG2 3.26Å; L19-V520 HydrophobicContact CD1-CG1 4.17Å; L19-V520 HydrophobicContact CD2-CG1 3.64Å; L19-Y521 HydrophobicContact CD1-CD1 4.03Å; L19-Y521 HydrophobicContact CD1-CE1 3.61Å; L19-L524 HydrophobicContact CD1-CD2 3.75Å
20I75.5Confident75.1Confident21 Ų2120.2 Ų20.211%0.10810%0.103CC..THydrogen-bonded Turntrans-67.9-36.1-165.4-162.4166.1000113.1T17 G18 S23 I24 F42 K45 F99T17-I20 WeakPolarHBondContact O-CG2 3.24Å; G18-I20 PolarHBondContact O-N 3.3Å; I20-S23 PolarHBondContact O-N 2.97Å; I20-I24 PolarHBondContact O-N 3.19Å; I20-F42 HydrophobicContact CB-CE1 4.18Å; I20-F42 HydrophobicContact CD1-CD1 3.64Å; I20-F42 HydrophobicContact CD1-CE1 3.7Å; I20-F42 HydrophobicContact CD1-CG 4.25Å; I20-F42 HydrophobicContact CD1-CZ 4.32Å; I20-F42 HydrophobicContact CG1-CD1 4.07Å; I20-F42 HydrophobicContact CG1-CE1 3.6Å; I20-F42 HydrophobicContact CG1-CZ 3.82Å; I20-F42 HydrophobicContact CG2-CD1 4.46Å; I20-F42 HydrophobicContact CG2-CE1 3.61Å; I20-F42 HydrophobicContact CG2-CZ 4.23Å; I20-K45 HydrophobicContact CD1-CD 3.84Å; I20-F99 HydrophobicContact CD1-CD1 4.45Å; I20-F99 HydrophobicContact CD1-CE1 4.27Å; I20-F99 HydrophobicContact CG1-CE1 4.27Å
21G70.7Confident74Confident2 Ų222 Ų222%0.02112%0.118CC..THydrogen-bonded Turntrans-64.5-56.5176.800000112.9L19 S23 I24 G716L19-G21 PolarHBondContact O-N 3.39Å; G21-S23 PolarHBondContact O-N 3.4Å; G21-I24 WeakPolarHBondContact O-CB 3.47Å; G21-I24 WeakPolarHBondContact O-CG1 3.48Å; G21-I24 PolarHBondContact O-N 3.44Å; G21-I24 VanDerWaalsContact O-N 3.11Å; G21-G716 WeakPolarHBondContact CA-O 3.41Å
22P69.9Low72.6Confident15 Ų1522.7 Ų22.710%0.09714%0.14CC..THydrogen-bonded Turntrans-56.7-30.1172.2-27.635.8000114L19 I24 L146L19-P22 WeakPolarHBondContact O-CD 3.37Å; P22-I24 VanDerWaalsContact C-N 3.28Å; P22-I24 PolarHBondContact O-N 3.17Å; P22-L146 HydrophobicContact CB-CD1 3.48Å; P22-L146 VanDerWaalsContact CB-CD1 3.48Å; P22-L146 HydrophobicContact CG-CD1 3.93Å
23S73.9Confident71.3Confident2 Ų222.8 Ų22.81%0.01414%0.141CC..Hα-helixtrans-73.4-10.4178.5-59.20000114.6L19 I20 G21 L25 Y26 L27 Y521L19-S23 VanDerWaalsContact O-CB 3.28Å; L19-S23 WeakPolarHBondContact O-CB 3.41Å; L19-S23 PolarHBondContact O-N 3.38Å; L19-S23 PolarHBondContact O-OG 2.95Å; I20-S23 PolarHBondContact O-N 2.97Å; G21-S23 PolarHBondContact O-N 3.4Å; S23-L25 VanDerWaalsContact C-N 3.3Å; S23-L25 PolarHBondContact O-N 2.75Å; S23-Y26 WeakPolarHBondContact O-CB 3.41Å; S23-Y26 PolarHBondContact O-N 2.97Å; S23-L27 WeakPolarHBondContact O-CG 3.16Å; S23-L27 PolarHBondContact O-N 2.9Å; S23-Y521 PolarHBondContact OG-OH 3.3Å
24I70.3Confident70.3Confident0 Ų028.5 Ų28.50%016%0.163CC..Hα-helixtrans-57.9-43.2175.3-64.6179.1000111.2I20 G21 P22 Y26 L27 E28 T38 F42 G716 F717I20-I24 PolarHBondContact O-N 3.19Å; G21-I24 WeakPolarHBondContact O-CB 3.47Å; G21-I24 WeakPolarHBondContact O-CG1 3.48Å; G21-I24 PolarHBondContact O-N 3.44Å; G21-I24 VanDerWaalsContact O-N 3.11Å; P22-I24 VanDerWaalsContact C-N 3.28Å; P22-I24 PolarHBondContact O-N 3.17Å; I24-Y26 VanDerWaalsContact C-N 3.32Å; I24-Y26 PolarHBondContact O-N 3.4Å; I24-L27 WeakPolarHBondContact O-CB 3.29Å; I24-L27 PolarHBondContact O-N 2.83Å; I24-E28 PolarHBondContact O-N 2.98Å; I24-T38 HydrophobicContact CG2-CG2 4.21Å; I24-F42 HydrophobicContact CD1-CE2 3.65Å; I24-F42 HydrophobicContact CD1-CZ 3.75Å; I24-F42 HydrophobicContact CG1-CE2 3.74Å; I24-F42 HydrophobicContact CG1-CZ 3.92Å; I24-G716 WeakPolarHBondContact CD1-O 3.47Å; I24-F717 HydrophobicContact CD1-CD1 4.27Å
25L64.1Low69.5Low36 Ų3630 Ų3019%0.18817%0.17CC..Hα-helixtrans-74.3-26.3-177.3-63.2172.7000112.5S23 K29 I723 R724S23-L25 VanDerWaalsContact C-N 3.3Å; S23-L25 PolarHBondContact O-N 2.75Å; L25-K29 WeakPolarHBondContact O-CB 3.14Å; L25-K29 PolarHBondContact O-N 3.16Å; L25-I723 HydrophobicContact CD1-CB 3.92Å; L25-I723 HydrophobicContact CD1-CD1 3.26Å; L25-I723 HydrophobicContact CD1-CG1 4.14Å; L25-I723 HydrophobicContact CD1-CG2 3.82Å; L25-R724 HydrophobicContact CD2-CG 4.24Å
26Y67.3Low68.6Low2 Ų232 Ų321%0.00818%0.181CC..Hα-helixtrans-66.6-48.7168.7174.3-100.5000110.9S23 I24 K29 L30 I86 V514 V517 Q518S23-Y26 WeakPolarHBondContact O-CB 3.41Å; S23-Y26 PolarHBondContact O-N 2.97Å; I24-Y26 VanDerWaalsContact C-N 3.32Å; I24-Y26 PolarHBondContact O-N 3.4Å; Y26-K29 PolarHBondContact O-N 2.9Å; Y26-L30 HydrophobicContact CD1-CD1 4.06Å; Y26-L30 HydrophobicContact CE1-CD1 3.45Å; Y26-L30 VanDerWaalsContact CE1-CD1 3.45Å; Y26-L30 HydrophobicContact CE1-CG 4.43Å; Y26-L30 HydrophobicContact CE2-CD1 4.1Å; Y26-L30 HydrophobicContact CE2-CG 4.42Å; Y26-L30 VanDerWaalsContact CZ-CD1 3.47Å; Y26-L30 WeakPolarHBondContact O-CG 3.32Å; Y26-L30 PolarHBondContact O-N 3.14Å; Y26-I86 HydrophobicContact CE1-CG2 4.2Å; Y26-I86 PolarHBondContact OH-O 2.99Å; Y26-V514 HydrophobicContact CD2-CG1 4.47Å; Y26-V514 HydrophobicContact CE2-CB 4.4Å; Y26-V514 HydrophobicContact CE2-CG1 3.85Å; Y26-V514 WeakPolarHBondContact CE2-O 3.38Å; Y26-V517 HydrophobicContact CD1-CG1 3.93Å; Y26-V517 HydrophobicContact CD2-CB 3.68Å; Y26-V517 HydrophobicContact CD2-CG1 3.85Å; Y26-V517 HydrophobicContact CD2-CG2 4.45Å; Y26-V517 HydrophobicContact CE1-CG1 4.45Å; Y26-V517 HydrophobicContact CE2-CB 4.31Å; Y26-V517 HydrophobicContact CE2-CG1 4.4Å; Y26-V517 HydrophobicContact CG-CB 3.89Å; Y26-V517 HydrophobicContact CG-CG1 3.61Å; Y26-V517 HydrophobicContact CG-CG2 4.48Å; Y26-Q518 HydrophobicContact CE2-CG 3.74Å; Y26-Q518 WeakPolarHBondContact OH-CG 3.44Å; Y26-Q518 PolarHBondContact OH-NE2 3.36Å
27L67.1Low68Low3 Ų336 Ų362%0.01620%0.199CC..Hα-helixtrans-59.8-48.7177.7-73.5166.6000112.3S23 I24 L30 A31 T38 V41 M95 F99S23-L27 WeakPolarHBondContact O-CG 3.16Å; S23-L27 PolarHBondContact O-N 2.9Å; I24-L27 WeakPolarHBondContact O-CB 3.29Å; I24-L27 PolarHBondContact O-N 2.83Å; L27-L30 PolarHBondContact O-N 2.92Å; L27-A31 PolarHBondContact O-N 3.21Å; L27-T38 HydrophobicContact CB-CG2 4.41Å; L27-V41 HydrophobicContact CD1-CB 4.28Å; L27-V41 HydrophobicContact CD1-CG1 3.89Å; L27-V41 HydrophobicContact CD1-CG2 4.49Å; L27-M95 HydrophobicContact CD2-CB 3.78Å; L27-M95 HydrophobicContact CD2-CE 3.68Å; L27-M95 HydrophobicContact CD2-CG 3.59Å; L27-M95 HydrophobicContact CD2-SD 4.31Å; L27-F99 HydrophobicContact CD1-CE2 4.17Å; L27-F99 HydrophobicContact CD2-CE2 4.3Å
28E64.9Low67.5Low61 Ų6134.3 Ų34.329%0.28519%0.189SC..Hα-helixtrans-58.6-48.8176.6172.5177-112.700111.8I24 L30 A31 G32 S33 R724I24-E28 PolarHBondContact O-N 2.98Å; E28-L30 VanDerWaalsContact C-N 3.3Å; E28-L30 PolarHBondContact O-N 3.38Å; E28-A31 PolarHBondContact O-N 3.03Å; E28-G32 WeakPolarHBondContact O-CA 3.48Å; E28-G32 PolarHBondContact O-N 3.43Å; E28-S33 PolarHBondContact O-N 3.49Å; E28-R724 IonicContact OE1-CZ 2.78Å; E28-R724 IonicContact OE1-NE 2.7Å; E28-R724 IonicContact OE1-NH1 3.1Å; E28-R724 PolarHBondContact OE1-NH1 3.14Å; E28-R724 IonicContact OE1-NH2 3.8Å; E28-R724 PolarHBondContact OE1-NH2 3.22Å; E28-R724 IonicContact OE2-CZ 3.78Å; E28-R724 IonicContact OE2-NE 3.03Å; E28-R724 PolarHBondContact OE2-NE 3.24Å; E28-R724 IonicContact OE2-NH1 3.44Å; E28-R724 IonicContact OE2-NH2 3.64Å; E28-R724 PolarHBondContact OE2-NH2 2.88Å
29K65.4Low67.3Low114 Ų11434.4 Ų34.450%0.49619%0.189SC..Hα-helixtrans-66.5-29.9-178.2-172.6171.6-179.7175.30112.8L25 Y26 Q511 P513 V514L25-K29 WeakPolarHBondContact O-CB 3.14Å; L25-K29 PolarHBondContact O-N 3.16Å; Y26-K29 PolarHBondContact O-N 2.9Å; K29-Q511 PolarHBondContact NZ-O 3.06Å; K29-P513 HydrophobicContact CD-CG 3.82Å; K29-V514 HydrophobicContact CD-CG2 3.95Å; K29-V514 HydrophobicContact CG-CG2 4.36Å
30L62.2Low67.1Low53 Ų5337.9 Ų37.928%0.27721%0.208SC..Hα-helixtrans-72.6-41.1174.1-78.8-176.9000113.2Y26 L27 E28 V514Y26-L30 HydrophobicContact CD1-CD1 4.06Å; Y26-L30 HydrophobicContact CE1-CD1 3.45Å; Y26-L30 VanDerWaalsContact CE1-CD1 3.45Å; Y26-L30 HydrophobicContact CE1-CG 4.43Å; Y26-L30 HydrophobicContact CE2-CD1 4.1Å; Y26-L30 HydrophobicContact CE2-CG 4.42Å; Y26-L30 VanDerWaalsContact CZ-CD1 3.47Å; Y26-L30 WeakPolarHBondContact O-CG 3.32Å; Y26-L30 PolarHBondContact O-N 3.14Å; L27-L30 PolarHBondContact O-N 2.92Å; E28-L30 VanDerWaalsContact C-N 3.3Å; E28-L30 PolarHBondContact O-N 3.38Å; L30-V514 HydrophobicContact CD2-CG1 4.36Å
31A59.2Low67.2Low42 Ų4237 Ų3735%0.34720%0.203SC..Hα-helixtrans-106.4-7.6-167.700000114.8L27 E28 S33 L92L27-A31 PolarHBondContact O-N 3.21Å; E28-A31 PolarHBondContact O-N 3.03Å; A31-S33 VanDerWaalsContact CB-CB 3.48Å; A31-S33 PolarHBondContact O-N 3.41Å; A31-L92 HydrophobicContact CB-CB 4.07Å; A31-L92 HydrophobicContact CB-CD1 4.34Å
32G57.6Low67.4Low77 Ų7737.4 Ų37.479%0.79420%0.204SC*.THydrogen-bonded Turntrans65.331-172.800000112.3E28E28-G32 WeakPolarHBondContact O-CA 3.48Å; E28-G32 PolarHBondContact O-N 3.43Å
33S59.4Low67.9Low3 Ų337.9 Ų37.92%0.02121%0.207CC..  trans-106.9143.5-147.9174.30000113.3E28 A31 E37E28-S33 PolarHBondContact O-N 3.49Å; A31-S33 VanDerWaalsContact CB-CB 3.48Å; A31-S33 PolarHBondContact O-N 3.41Å; S33-E37 WeakPolarHBondContact CA-OE2 3.44Å; S33-E37 VanDerWaalsContact CB-OE2 3.23Å; S33-E37 WeakPolarHBondContact CB-OE2 3.3Å; S33-E37 WeakPolarHBondContact OG-CB 3.39Å; S33-E37 PolarHBondContact OG-OE2 3.34Å
34R64.5Low68.5Low121 Ų12138.2 Ų38.246%0.45721%0.209SC..  trans-84.3169.3-174-69.417473.1-122.7-3.4111.9D36 E37 T38 H908R34-D36 VanDerWaalsContact C-N 3.32Å; R34-D36 WeakPolarHBondContact CB-OD1 3.34Å; R34-D36 IonicContact CZ-OD2 2.82Å; R34-D36 IonicContact NH1-OD1 2.95Å; R34-D36 IonicContact NH1-OD2 3.53Å; R34-D36 PolarHBondContact NH1-OD2 3.01Å; R34-D36 IonicContact NH2-OD2 3.74Å; R34-D36 PolarHBondContact O-N 3.4Å; R34-E37 WeakPolarHBondContact O-CB 3.37Å; R34-E37 PolarHBondContact O-N 3.37Å; R34-E37 VanDerWaalsContact O-N 3.13Å; R34-T38 PolarHBondContact O-N 3.26Å; R34-H908 VanDerWaalsContact CZ-NE2 3.31Å; R34-H908 PolarHBondContact NH1-CD2 2.68Å; R34-H908 PolarHBondContact NH1-NE2 3.38Å; R34-H908 PolarHBondContact NH2-CD2 2.72Å; R34-H908 PolarHBondContact NH2-NE2 3.01Å; R34-H908 VanDerWaalsContact NH2-NE2 3.11Å
35E64.6Low69.3Low31 Ų3139 Ų3915%0.14521%0.213CC..Hα-helixtrans-76.2-18.3-172-70.6162.414600114.4T38 A39 R724 Y725 Y915E35-T38 WeakPolarHBondContact CA-OG1 3.45Å; E35-T38 PolarHBondContact O-OG1 3.11Å; E35-A39 VanDerWaalsContact O-CB 3.28Å; E35-A39 WeakPolarHBondContact O-CB 3.44Å; E35-A39 PolarHBondContact O-N 3.29Å; E35-R724 WeakPolarHBondContact OE1-CD 3.37Å; E35-R724 IonicContact OE1-CZ 3.81Å; E35-R724 IonicContact OE1-NE 2.59Å; E35-R724 IonicContact OE1-NH1 3.39Å; E35-R724 PolarHBondContact OE1-NH1 3Å; E35-Y725 WeakPolarHBondContact OE1-CE2 3.25Å; E35-Y725 PolarHBondContact OE1-OH 3.46Å; E35-Y725 PolarHBondContact OE2-OH 3.46Å; E35-Y725 VanDerWaalsContact OE2-OH 3.06Å; E35-Y915 WeakPolarHBondContact OE2-CE2 3.37Å
36D66.2Low70.2Confident51 Ų5137.6 Ų37.627%0.27321%0.206SC..Hα-helixtrans-67-42.7164.445.34.2000111.3R34 A39 L40 H908R34-D36 VanDerWaalsContact C-N 3.32Å; R34-D36 WeakPolarHBondContact CB-OD1 3.34Å; R34-D36 IonicContact CZ-OD2 2.82Å; R34-D36 IonicContact NH1-OD1 2.95Å; R34-D36 IonicContact NH1-OD2 3.53Å; R34-D36 PolarHBondContact NH1-OD2 3.01Å; R34-D36 IonicContact NH2-OD2 3.74Å; R34-D36 PolarHBondContact O-N 3.4Å; D36-A39 PolarHBondContact O-N 2.9Å; D36-L40 PolarHBondContact O-N 2.72Å; D36-H908 IonicContact OD2-CD2 3.66Å; D36-H908 PolarHBondContact OD2-CD2 3.41Å; D36-H908 IonicContact OD2-NE2 2.66Å; D36-H908 PolarHBondContact OD2-NE2 3.29Å
37E69.8Low71.2Confident82 Ų8240.7 Ų40.738%0.38323%0.225SC..Hα-helixtrans-70.7-35.5174.9-76.1175.1-175.300113.3S33 R34 L40 V41 L92S33-E37 WeakPolarHBondContact CA-OE2 3.44Å; S33-E37 VanDerWaalsContact CB-OE2 3.23Å; S33-E37 WeakPolarHBondContact CB-OE2 3.3Å; S33-E37 WeakPolarHBondContact OG-CB 3.39Å; S33-E37 PolarHBondContact OG-OE2 3.34Å; R34-E37 WeakPolarHBondContact O-CB 3.37Å; R34-E37 PolarHBondContact O-N 3.37Å; R34-E37 VanDerWaalsContact O-N 3.13Å; E37-L40 VanDerWaalsContact O-CB 3.28Å; E37-L40 WeakPolarHBondContact O-CB 3.25Å; E37-L40 PolarHBondContact O-N 3.3Å; E37-V41 PolarHBondContact O-N 3.17Å; E37-L92 HydrophobicContact CB-CD2 3.74Å; E37-L92 HydrophobicContact CG-CD2 3.96Å
38T69.3Low72.2Confident0 Ų040.6 Ų40.60%022%0.224CC..Hα-helixtrans-71-34.5171.8660000111.6I24 L27 R34 E35 L40 V41 F42I24-T38 HydrophobicContact CG2-CG2 4.21Å; L27-T38 HydrophobicContact CB-CG2 4.41Å; R34-T38 PolarHBondContact O-N 3.26Å; E35-T38 WeakPolarHBondContact CA-OG1 3.45Å; E35-T38 PolarHBondContact O-OG1 3.11Å; T38-L40 VanDerWaalsContact C-N 3.29Å; T38-L40 PolarHBondContact O-N 3.21Å; T38-V41 WeakPolarHBondContact O-CB 3.4Å; T38-V41 PolarHBondContact O-N 2.94Å; T38-F42 WeakPolarHBondContact O-CD2 3.32Å; T38-F42 PolarHBondContact O-N 2.99Å
39A71.9Confident73.1Confident4 Ų438.2 Ų38.23%0.03322%0.215CC..Hα-helixtrans-62.6-33.6170.500000113.1E35 D36 V41 F42 T43 F717 A904E35-A39 VanDerWaalsContact O-CB 3.28Å; E35-A39 WeakPolarHBondContact O-CB 3.44Å; E35-A39 PolarHBondContact O-N 3.29Å; D36-A39 PolarHBondContact O-N 2.9Å; A39-V41 PolarHBondContact O-N 2.91Å; A39-F42 WeakPolarHBondContact O-CB 3.27Å; A39-F42 PolarHBondContact O-N 3.07Å; A39-F42 VanDerWaalsContact O-N 3.11Å; A39-T43 PolarHBondContact O-N 3.36Å; A39-F717 HydrophobicContact CB-CZ 4.27Å; A39-A904 HydrophobicContact CB-CB 3.21Å
40L76.3Confident74.1Confident76 Ų7634.1 Ų34.140%0.39820%0.198SC..Hα-helixtrans-59-33.5170.9-162.880.4000112.1D36 E37 T38 T43 S44 L96D36-L40 PolarHBondContact O-N 2.72Å; E37-L40 VanDerWaalsContact O-CB 3.28Å; E37-L40 WeakPolarHBondContact O-CB 3.25Å; E37-L40 PolarHBondContact O-N 3.3Å; T38-L40 VanDerWaalsContact C-N 3.29Å; T38-L40 PolarHBondContact O-N 3.21Å; L40-T43 PolarHBondContact O-N 3.3Å; L40-T43 PolarHBondContact O-OG1 2.85Å; L40-S44 PolarHBondContact O-N 2.77Å; L40-L96 HydrophobicContact CB-CD1 4.34Å; L40-L96 HydrophobicContact CD2-CD1 3.84Å; L40-L96 HydrophobicContact CD2-CD2 4.41Å; L40-L96 HydrophobicContact CG-CD1 3.72Å; L40-L96 WeakPolarHBondContact O-CD1 3.43Å
41V76.4Confident75.2Confident1 Ų132.5 Ų32.51%0.00619%0.194CC..Hα-helixtrans-72.8-34.1175-178.30000111.9L27 E37 T38 A39 S44 K45 L92 F99L27-V41 HydrophobicContact CD1-CB 4.28Å; L27-V41 HydrophobicContact CD1-CG1 3.89Å; L27-V41 HydrophobicContact CD1-CG2 4.49Å; E37-V41 PolarHBondContact O-N 3.17Å; T38-V41 WeakPolarHBondContact O-CB 3.4Å; T38-V41 PolarHBondContact O-N 2.94Å; A39-V41 PolarHBondContact O-N 2.91Å; V41-S44 PolarHBondContact O-OG 2.89Å; V41-S44 VanDerWaalsContact O-OG 3.14Å; V41-K45 PolarHBondContact O-N 3.3Å; V41-L92 HydrophobicContact CG2-CD1 3.78Å; V41-F99 HydrophobicContact CG1-CB 4.03Å; V41-F99 HydrophobicContact CG1-CD2 3.15Å; V41-F99 HydrophobicContact CG1-CE2 3.66Å; V41-F99 HydrophobicContact CG1-CG 3.7Å
42F75Confident76.4Confident12 Ų1230.5 Ų30.55%0.05318%0.177CC..Hα-helixtrans-63.2-45.9169.5-79-89.8000111.8I20 I24 T38 A39 S44 K45 A46 G716I20-F42 HydrophobicContact CB-CE1 4.18Å; I20-F42 HydrophobicContact CD1-CD1 3.64Å; I20-F42 HydrophobicContact CD1-CE1 3.7Å; I20-F42 HydrophobicContact CD1-CG 4.25Å; I20-F42 HydrophobicContact CD1-CZ 4.32Å; I20-F42 HydrophobicContact CG1-CD1 4.07Å; I20-F42 HydrophobicContact CG1-CE1 3.6Å; I20-F42 HydrophobicContact CG1-CZ 3.82Å; I20-F42 HydrophobicContact CG2-CD1 4.46Å; I20-F42 HydrophobicContact CG2-CE1 3.61Å; I20-F42 HydrophobicContact CG2-CZ 4.23Å; I24-F42 HydrophobicContact CD1-CE2 3.65Å; I24-F42 HydrophobicContact CD1-CZ 3.75Å; I24-F42 HydrophobicContact CG1-CE2 3.74Å; I24-F42 HydrophobicContact CG1-CZ 3.92Å; T38-F42 WeakPolarHBondContact O-CD2 3.32Å; T38-F42 PolarHBondContact O-N 2.99Å; A39-F42 WeakPolarHBondContact O-CB 3.27Å; A39-F42 PolarHBondContact O-N 3.07Å; A39-F42 VanDerWaalsContact O-N 3.11Å; F42-S44 VanDerWaalsContact C-N 3.34Å; F42-S44 PolarHBondContact O-N 3Å; F42-K45 PolarHBondContact O-N 3.41Å; F42-A46 PolarHBondContact O-N 3Å; F42-G716 VanDerWaalsContact CZ-CA 3.47Å
43T81.4Confident77.6Confident24 Ų2428.4 Ų28.415%0.14715%0.145CC..Hα-helixtrans-64.9-37.6179.860.90000111.8A39 L40 K45 A46 V47 L897 A901A39-T43 PolarHBondContact O-N 3.36Å; L40-T43 PolarHBondContact O-N 3.3Å; L40-T43 PolarHBondContact O-OG1 2.85Å; T43-K45 VanDerWaalsContact C-N 3.31Å; T43-K45 PolarHBondContact O-N 3.42Å; T43-A46 PolarHBondContact O-N 3.08Å; T43-A46 VanDerWaalsContact O-N 3.11Å; T43-V47 WeakPolarHBondContact O-CG2 3.38Å; T43-V47 PolarHBondContact O-N 3.11Å; T43-L897 HydrophobicContact CG2-CD1 4.05Å; T43-A901 HydrophobicContact CG2-CB 3.8Å
44S86.7Confident78.8Confident10 Ų1032.2 Ų32.27%0.0717%0.165CC..Hα-helixtrans-62.1-37.2178.280.30000113L40 V41 F42 V47 G48 L96 F100L40-S44 PolarHBondContact O-N 2.77Å; V41-S44 PolarHBondContact O-OG 2.89Å; V41-S44 VanDerWaalsContact O-OG 3.14Å; F42-S44 VanDerWaalsContact C-N 3.34Å; F42-S44 PolarHBondContact O-N 3Å; S44-V47 PolarHBondContact O-N 3.44Å; S44-G48 PolarHBondContact O-N 3.42Å; S44-L96 VanDerWaalsContact CB-CD1 3.49Å; S44-L96 WeakPolarHBondContact CB-O 3.34Å; S44-L96 PolarHBondContact OG-O 3.46Å; S44-F100 WeakPolarHBondContact O-CA 3.43Å
45K85.5Confident79.9Confident17 Ų1729.2 Ų29.27%0.07416%0.16CC..Hα-helixtrans-63.8-42.8172.6-170.9172-176.7161.20111.9S16 I20 V41 F42 T43 G48 C49 F99S16-K45 PolarHBondContact O-NZ 3.19Å; I20-K45 HydrophobicContact CD1-CD 3.84Å; V41-K45 PolarHBondContact O-N 3.3Å; F42-K45 PolarHBondContact O-N 3.41Å; T43-K45 VanDerWaalsContact C-N 3.31Å; T43-K45 PolarHBondContact O-N 3.42Å; K45-G48 CarbonylContact O-C 3.59Å; K45-G48 WeakPolarHBondContact O-CA 3.48Å; K45-G48 PolarHBondContact O-N 2.96Å; K45-C49 PolarHBondContact O-N 2.99Å; K45-C49 PolarHBondContact O-SG 3.36Å; K45-F99 WeakPolarHBondContact CA-O 3.24Å; K45-F99 HydrophobicContact CB-CB 4.39Å; K45-F99 HydrophobicContact CD-CD1 4.19Å
46A83.3Confident80.7Confident5 Ų527.8 Ų27.84%0.04115%0.153CC..Hα-helixtrans-65.7-41.6177.200000112.7F42 T43 G48 C49 I50 Q896 L897F42-A46 PolarHBondContact O-N 3Å; T43-A46 PolarHBondContact O-N 3.08Å; T43-A46 VanDerWaalsContact O-N 3.11Å; A46-G48 VanDerWaalsContact C-N 3.27Å; A46-G48 PolarHBondContact O-N 3.45Å; A46-C49 WeakPolarHBondContact O-CB 3.32Å; A46-C49 PolarHBondContact O-N 2.96Å; A46-I50 WeakPolarHBondContact O-CG1 3.24Å; A46-I50 PolarHBondContact O-N 3.17Å; A46-Q896 HydrophobicContact CB-CB 4.35Å; A46-L897 HydrophobicContact CB-CB 3.97Å; A46-L897 HydrophobicContact CB-CD1 4.09Å
47V88.2Confident81.2Confident68 Ų6826.1 Ų26.141%0.41215%0.146SC..Hα-helixtrans-62.4-37.5171179.70000110.7T43 S44 I50 G51 F100 L897T43-V47 WeakPolarHBondContact O-CG2 3.38Å; T43-V47 PolarHBondContact O-N 3.11Å; S44-V47 PolarHBondContact O-N 3.44Å; V47-I50 PolarHBondContact O-N 3.4Å; V47-G51 PolarHBondContact O-N 3.21Å; V47-F100 HydrophobicContact CB-CD2 4.46Å; V47-F100 HydrophobicContact CG1-CD2 4.27Å; V47-F100 HydrophobicContact CG1-CE2 4.09Å; V47-L897 HydrophobicContact CG2-CD1 3.62Å; V47-L897 HydrophobicContact CG2-CD2 4.27Å
48G88Confident81.8Confident0 Ų026.6 Ų26.60%015%0.15CC..Hα-helixtrans-56.9-50.4170.600000112.1S44 K45 A46 I50 G51 G52 F100 L104S44-G48 PolarHBondContact O-N 3.42Å; K45-G48 CarbonylContact O-C 3.59Å; K45-G48 WeakPolarHBondContact O-CA 3.48Å; K45-G48 PolarHBondContact O-N 2.96Å; A46-G48 VanDerWaalsContact C-N 3.27Å; A46-G48 PolarHBondContact O-N 3.45Å; G48-I50 VanDerWaalsContact C-N 3.32Å; G48-I50 PolarHBondContact O-N 3.07Å; G48-G51 PolarHBondContact O-N 3.01Å; G48-G52 PolarHBondContact O-N 3.46Å; G48-F100 VanDerWaalsContact CA-CD2 3.42Å; G48-F100 VanDerWaalsContact CA-O 3.29Å; G48-F100 WeakPolarHBondContact CA-O 3.29Å; G48-L104 VanDerWaalsContact O-CA 3.22Å; G48-L104 WeakPolarHBondContact O-CA 3.29Å; G48-L104 PolarHBondContact O-N 2.98Å
49C85.5Confident82.4Confident12 Ų1229.4 Ų29.48%0.08117%0.165CC..Hα-helixtrans-58.7-40.6177.5-65.40000112.6K45 A46 W53 T107 Y893K45-C49 PolarHBondContact O-N 2.99Å; K45-C49 PolarHBondContact O-SG 3.36Å; A46-C49 WeakPolarHBondContact O-CB 3.32Å; A46-C49 PolarHBondContact O-N 2.96Å; C49-W53 WeakPolarHBondContact O-CB 3.32Å; C49-W53 PolarHBondContact O-N 3.26Å; C49-T107 WeakPolarHBondContact CA-OG1 3.13Å; C49-T107 PolarHBondContact O-OG1 3.2Å; C49-Y893 HydrophobicContact CB-CD1 3.94Å; C49-Y893 HydrophobicContact CB-CE1 3.85Å
50I84.7Confident82.4Confident28 Ų2831 Ų3114%0.14417%0.173CC..Hα-helixtrans-65.3-46.7175-64.5166.2000110.8A46 V47 G48 G52 W53 I54 Y893 L897A46-I50 WeakPolarHBondContact O-CG1 3.24Å; A46-I50 PolarHBondContact O-N 3.17Å; V47-I50 PolarHBondContact O-N 3.4Å; G48-I50 VanDerWaalsContact C-N 3.32Å; G48-I50 PolarHBondContact O-N 3.07Å; I50-G52 PolarHBondContact O-N 3.11Å; I50-W53 WeakPolarHBondContact O-CB 3.18Å; I50-W53 PolarHBondContact O-N 2.86Å; I50-I54 HydrophobicContact CG2-CD1 4.05Å; I50-I54 WeakPolarHBondContact O-CG1 3.35Å; I50-I54 PolarHBondContact O-N 2.95Å; I50-Y893 HydrophobicContact CG1-CD2 4.36Å; I50-Y893 HydrophobicContact CG1-CG 4Å; I50-L897 HydrophobicContact CD1-CD2 4.08Å
51G86.4Confident82.2Confident19 Ų1932.1 Ų32.120%0.19618%0.179CC..Hα-helixtrans-60.1-44.5176.700000112.1V47 G48 W53 I54 V55V47-G51 PolarHBondContact O-N 3.21Å; G48-G51 PolarHBondContact O-N 3.01Å; G51-W53 VanDerWaalsContact C-N 3.31Å; G51-W53 PolarHBondContact O-N 3.38Å; G51-I54 PolarHBondContact O-N 3.32Å; G51-V55 WeakPolarHBondContact O-CB 3.41Å; G51-V55 VanDerWaalsContact O-CG2 3.25Å; G51-V55 WeakPolarHBondContact O-CG2 3.38Å; G51-V55 PolarHBondContact O-N 2.87Å
52G84.7Confident81.9Confident0 Ų034.8 Ų34.80%020%0.198CC..Hα-helixtrans-64.6-35176.300000112.4G48 I50 S56G48-G52 PolarHBondContact O-N 3.46Å; I50-G52 PolarHBondContact O-N 3.11Å; G52-S56 VanDerWaalsContact O-CB 3.32Å; G52-S56 WeakPolarHBondContact O-CB 3.48Å; G52-S56 PolarHBondContact O-N 2.93Å; G52-S56 PolarHBondContact O-OG 3.48Å
53W82.3Confident80.8Confident32 Ų3243.2 Ų43.212%0.12124%0.237CC..Hα-helixtrans-63.8-49.8174.7-176.977.9000111.7C49 I50 G51 S56 C57 T107 Q111 Y886 Q889 Y893C49-W53 WeakPolarHBondContact O-CB 3.32Å; C49-W53 PolarHBondContact O-N 3.26Å; I50-W53 WeakPolarHBondContact O-CB 3.18Å; I50-W53 PolarHBondContact O-N 2.86Å; G51-W53 VanDerWaalsContact C-N 3.31Å; G51-W53 PolarHBondContact O-N 3.38Å; W53-S56 PolarHBondContact O-N 3.12Å; W53-C57 PolarHBondContact O-N 3.42Å; W53-C57 PolarHBondContact O-SG 3.44Å; W53-C57 VanDerWaalsContact O-SG 3.36Å; W53-T107 HydrophobicContact CB-CG2 3.86Å; W53-Q111 PolarHBondContact O-NE2 3.38Å; W53-Q111 VanDerWaalsContact O-NE2 3.15Å; W53-Y886 AromaticContact CH2-CD1 3.91Å; W53-Y886 HydrophobicContact CH2-CD1 3.91Å; W53-Y886 AromaticContact CZ2-CD1 3.57Å; W53-Y886 HydrophobicContact CZ2-CD1 3.57Å; W53-Y886 HydrophobicContact CZ2-CE1 4.32Å; W53-Y886 HydrophobicContact CZ2-CG 4.42Å; W53-Q889 HydrophobicContact CZ2-CB 4.42Å; W53-Y893 HydrophobicContact CB-CE2 4Å; W53-Y893 AromaticContact CD1-CE2 3.74Å; W53-Y893 HydrophobicContact CD2-CE2 4.15Å; W53-Y893 AromaticContact CG-CE2 3.72Å; W53-Y893 HydrophobicContact CG-CE2 3.72Å
54I84.8Confident79.6Confident83 Ų8346.6 Ų46.643%0.42628%0.277SS..Hα-helixtrans-62.8-48.1177.6-63.3169.7000110.8I50 G51 S56 C57 L58I50-I54 HydrophobicContact CG2-CD1 4.05Å; I50-I54 WeakPolarHBondContact O-CG1 3.35Å; I50-I54 PolarHBondContact O-N 2.95Å; G51-I54 PolarHBondContact O-N 3.32Å; I54-S56 VanDerWaalsContact C-N 3.32Å; I54-S56 PolarHBondContact O-N 2.84Å; I54-C57 PolarHBondContact O-N 2.99Å; I54-L58 HydrophobicContact CG2-CD1 3.83Å; I54-L58 HydrophobicContact CG2-CG 4.34Å; I54-L58 WeakPolarHBondContact O-CG 3.31Å; I54-L58 PolarHBondContact O-N 3.24Å
55V86.4Confident78.1Confident59 Ų5948.6 Ų48.636%0.35829%0.291SS..Hα-helixtrans-62.1-38.8-179.4167.50000111.6G51 L59 I108G51-V55 WeakPolarHBondContact O-CB 3.41Å; G51-V55 VanDerWaalsContact O-CG2 3.25Å; G51-V55 WeakPolarHBondContact O-CG2 3.38Å; G51-V55 PolarHBondContact O-N 2.87Å; V55-L59 HydrophobicContact CG1-CD1 3.76Å; V55-L59 HydrophobicContact CG1-CG 4.31Å; V55-L59 WeakPolarHBondContact O-CB 3.23Å; V55-L59 VanDerWaalsContact O-CG 3.24Å; V55-L59 WeakPolarHBondContact O-CG 3.36Å; V55-L59 PolarHBondContact O-N 3.31Å; V55-I108 HydrophobicContact CG1-CD1 4.47Å
56S81.9Confident76.9Confident0 Ų050.6 Ų50.60%031%0.305CS..Hα-helixtrans-66.3-41.6176.2-700000113.4G52 W53 I54 L59 L60 I108G52-S56 VanDerWaalsContact O-CB 3.32Å; G52-S56 WeakPolarHBondContact O-CB 3.48Å; G52-S56 PolarHBondContact O-N 2.93Å; G52-S56 PolarHBondContact O-OG 3.48Å; W53-S56 PolarHBondContact O-N 3.12Å; I54-S56 VanDerWaalsContact C-N 3.32Å; I54-S56 PolarHBondContact O-N 2.84Å; S56-L59 PolarHBondContact O-N 3.45Å; S56-L60 WeakPolarHBondContact O-CD1 3.49Å; S56-L60 VanDerWaalsContact O-CG 3.3Å; S56-L60 WeakPolarHBondContact O-CG 3.42Å; S56-L60 PolarHBondContact O-N 3.4Å; S56-I108 WeakPolarHBondContact OG-CA 3.39Å; S56-I108 WeakPolarHBondContact OG-CG1 3.34Å
57C77.4Confident76.3Confident17 Ų1754.9 Ų54.912%0.11532%0.322CS..Hα-helixtrans-61.4-52.1173.7-620000110.3W53 I54 L59 L60 D61W53-C57 PolarHBondContact O-N 3.42Å; W53-C57 PolarHBondContact O-SG 3.44Å; W53-C57 VanDerWaalsContact O-SG 3.36Å; I54-C57 PolarHBondContact O-N 2.99Å; C57-L59 VanDerWaalsContact C-N 3.26Å; C57-L59 PolarHBondContact O-N 2.94Å; C57-L60 PolarHBondContact O-N 3.23Å; C57-D61 WeakPolarHBondContact O-CB 3.18Å; C57-D61 VanDerWaalsContact O-CG 3.23Å; C57-D61 PolarHBondContact O-N 2.97Å
58L81.8Confident75.6Confident92 Ų9253 Ų5348%0.48231%0.311SS..Hα-helixtrans-58.2-32.9179-68.6174.5000114I54 S62 F685I54-L58 HydrophobicContact CG2-CD1 3.83Å; I54-L58 HydrophobicContact CG2-CG 4.34Å; I54-L58 WeakPolarHBondContact O-CG 3.31Å; I54-L58 PolarHBondContact O-N 3.24Å; L58-S62 WeakPolarHBondContact O-CB 3.41Å; L58-S62 PolarHBondContact O-N 3.03Å; L58-F685 HydrophobicContact CD2-CZ 4.49Å
59L81.2Confident75Confident58 Ų5853.6 Ų53.630%0.30432%0.315SS..Hα-helixtrans-73.3-28.7176.2-77.2170.8000113.3V55 S56 C57 S65 T66 L71V55-L59 HydrophobicContact CG1-CD1 3.76Å; V55-L59 HydrophobicContact CG1-CG 4.31Å; V55-L59 WeakPolarHBondContact O-CB 3.23Å; V55-L59 VanDerWaalsContact O-CG 3.24Å; V55-L59 WeakPolarHBondContact O-CG 3.36Å; V55-L59 PolarHBondContact O-N 3.31Å; S56-L59 PolarHBondContact O-N 3.45Å; C57-L59 VanDerWaalsContact C-N 3.26Å; C57-L59 PolarHBondContact O-N 2.94Å; L59-S65 VanDerWaalsContact O-O 3.1Å; L59-T66 HydrophobicContact CD2-CG2 4.49Å; L59-T66 PolarHBondContact O-OG1 3.44Å; L59-L71 HydrophobicContact CB-CD1 4.24Å; L59-L71 HydrophobicContact CD1-CD1 3.64Å
60L73.7Confident74.8Confident39 Ų3953.6 Ų53.620%0.20432%0.315CS..Hα-helixtrans-93.4-30.5-178.2-67.5168.6000113S56 C57 S62 P68 L71 Y115S56-L60 WeakPolarHBondContact O-CD1 3.49Å; S56-L60 VanDerWaalsContact O-CG 3.3Å; S56-L60 WeakPolarHBondContact O-CG 3.42Å; S56-L60 PolarHBondContact O-N 3.4Å; C57-L60 PolarHBondContact O-N 3.23Å; L60-S62 VanDerWaalsContact C-N 3.28Å; L60-P68 HydrophobicContact CD2-CB 4.37Å; L60-L71 HydrophobicContact CD1-CD2 3.68Å; L60-L71 HydrophobicContact CD2-CD2 4.04Å; L60-L71 HydrophobicContact CG-CD2 3.87Å; L60-Y115 HydrophobicContact CD1-CD1 4.28Å; L60-Y115 HydrophobicContact CD1-CD2 3.22Å; L60-Y115 HydrophobicContact CD1-CE1 4.27Å; L60-Y115 HydrophobicContact CD1-CE2 3.21Å; L60-Y115 HydrophobicContact CD1-CG 3.76Å
61D70.4Confident74.7Confident98 Ų9852.4 Ų52.452%0.52431%0.308SS..Hα-helixtrans-78.5-13.4175.1-61.3-34.1000112C57 E63C57-D61 WeakPolarHBondContact O-CB 3.18Å; C57-D61 VanDerWaalsContact O-CG 3.23Å; C57-D61 PolarHBondContact O-N 2.97Å; D61-E63 PolarHBondContact O-N 3.14Å; D61-E63 VanDerWaalsContact O-N 3.16Å
62S71.8Confident74.7Confident58 Ų5851.5 Ų51.541%0.40630%0.299SS..SBendtrans-71.8104.3177.2177.70000111.1L58 L60 G64 S65L58-S62 WeakPolarHBondContact O-CB 3.41Å; L58-S62 PolarHBondContact O-N 3.03Å; L60-S62 VanDerWaalsContact C-N 3.28Å; S62-G64 PolarHBondContact O-N 3.39Å; S62-S65 WeakPolarHBondContact O-CB 3.41Å; S62-S65 PolarHBondContact O-N 2.94Å; S62-S65 WeakPolarHBondContact OG-CB 3.42Å
63E50.3Low74.7Confident189 Ų18952.3 Ų52.388%0.88331%0.305SS*.THydrogen-bonded Turntrans-44.4111.7-179.6-61.9-176.4149.500112.7D61D61-E63 PolarHBondContact O-N 3.14Å; D61-E63 VanDerWaalsContact O-N 3.16Å
64G56.8Low74.9Confident94 Ų9453.9 Ų53.997%0.96932%0.318SS*.THydrogen-bonded Turntrans87.23.7178.900000117.1S62S62-G64 PolarHBondContact O-N 3.39Å
65S54.6Low75Confident53 Ų5349.9 Ų49.937%0.37130%0.297SS..  trans-111.5130.3-172.8-161.80000114.5L59 S62L59-S65 VanDerWaalsContact O-O 3.1Å; S62-S65 WeakPolarHBondContact O-CB 3.41Å; S62-S65 PolarHBondContact O-N 2.94Å; S62-S65 WeakPolarHBondContact OG-CB 3.42Å
66T60.7Low75.1Confident59 Ų5947.1 Ų47.136%0.36228%0.28SS..  trans62.8123.2175.274.90000117.6L59L59-T66 HydrophobicContact CD2-CG2 4.49Å; L59-T66 PolarHBondContact O-OG1 3.44Å
67K70.8Confident75.5Confident95 Ų9551.6 Ų51.641%0.41330%0.3SS..  trans-71.3149.5160.5-61-171.4-171.6178.20108.5S69 D70 L71 E543K67-S69 PolarHBondContact O-N 3.11Å; K67-S69 VanDerWaalsContact O-N 3.14Å; K67-D70 WeakPolarHBondContact CB-OD2 3.45Å; K67-D70 PolarHBondContact N-OD2 2.89Å; K67-D70 WeakPolarHBondContact O-CA 3.45Å; K67-D70 WeakPolarHBondContact O-CB 3.07Å; K67-D70 PolarHBondContact O-N 2.86Å; K67-L71 PolarHBondContact O-N 3.01Å; K67-L71 VanDerWaalsContact O-N 3.16Å; K67-E543 IonicContact NZ-OE1 3.78Å; K67-E543 IonicContact NZ-OE2 2.67Å; K67-E543 PolarHBondContact NZ-OE2 3.48Å
68P74.6Confident76Confident28 Ų2850.8 Ų50.818%0.18230%0.295CS..Hα-helixtrans-66-18178.427.4-36.4000113.8L60 L72 G112 H116L60-P68 HydrophobicContact CD2-CB 4.37Å; P68-L72 WeakPolarHBondContact O-CB 3.46Å; P68-L72 PolarHBondContact O-N 3.1Å; P68-G112 WeakPolarHBondContact O-CA 3.22Å; P68-H116 HydrophobicContact CB-CB 4.13Å; P68-H116 HydrophobicContact CG-CB 4.15Å
69S75.5Confident76.4Confident12 Ų1246.4 Ų46.48%0.08427%0.272CS..Hα-helixtrans-70.3-35.5167.851.30000112.9K67 L72 S73 L538K67-S69 PolarHBondContact O-N 3.11Å; K67-S69 VanDerWaalsContact O-N 3.14Å; S69-L72 PolarHBondContact O-N 3.06Å; S69-S73 PolarHBondContact O-N 3.13Å; S69-L538 WeakPolarHBondContact CB-O 3.08Å; S69-L538 PolarHBondContact OG-O 3.2Å
70D80.4Confident76.8Confident12 Ų1244.9 Ų44.96%0.06427%0.265CS..Hα-helixtrans-69.2-40.6175.5-53.5-32.7000109.7K67 L72 S73 V74 T539 S540K67-D70 WeakPolarHBondContact CB-OD2 3.45Å; K67-D70 PolarHBondContact N-OD2 2.89Å; K67-D70 WeakPolarHBondContact O-CA 3.45Å; K67-D70 WeakPolarHBondContact O-CB 3.07Å; K67-D70 PolarHBondContact O-N 2.86Å; D70-L72 PolarHBondContact O-N 3.04Å; D70-S73 PolarHBondContact O-N 2.79Å; D70-V74 WeakPolarHBondContact O-CG2 3.28Å; D70-V74 PolarHBondContact O-N 3.02Å; D70-T539 WeakPolarHBondContact OD1-CA 3.33Å; D70-T539 VanDerWaalsContact OD1-CB 3.24Å; D70-T539 WeakPolarHBondContact OD1-CB 3.29Å; D70-S540 VanDerWaalsContact CG-OG 3.31Å; D70-S540 PolarHBondContact OD1-N 2.69Å; D70-S540 PolarHBondContact OD1-OG 3.36Å; D70-S540 PolarHBondContact OD2-OG 3.45Å
71L83.5Confident77.6Confident3 Ų346.5 Ų46.52%0.01627%0.273CS..Hα-helixtrans-59.1-45.2171.8-172.370.6000112.4L59 L60 K67 S73 V74 G75 I108 Q111L59-L71 HydrophobicContact CB-CD1 4.24Å; L59-L71 HydrophobicContact CD1-CD1 3.64Å; L60-L71 HydrophobicContact CD1-CD2 3.68Å; L60-L71 HydrophobicContact CD2-CD2 4.04Å; L60-L71 HydrophobicContact CG-CD2 3.87Å; K67-L71 PolarHBondContact O-N 3.01Å; K67-L71 VanDerWaalsContact O-N 3.16Å; L71-S73 VanDerWaalsContact C-N 3.32Å; L71-S73 PolarHBondContact O-N 2.86Å; L71-V74 PolarHBondContact O-N 3.44Å; L71-G75 PolarHBondContact O-N 2.88Å; L71-I108 HydrophobicContact CD1-CG2 3.74Å; L71-I108 HydrophobicContact CG-CG2 3.98Å; L71-I108 WeakPolarHBondContact O-CG2 3.43Å; L71-Q111 HydrophobicContact CD2-CB 4.48Å
72L84.7Confident78.5Confident1 Ų141.9 Ų41.91%0.00525%0.248CC..Hα-helixtrans-58.7-41.9174.6171.263.1000112F6 V9 P68 S69 D70 G75 L76 S109 C113 T535F6-L72 HydrophobicContact CE1-CD2 3.96Å; V9-L72 HydrophobicContact CG1-CD1 4.39Å; V9-L72 HydrophobicContact CG2-CD1 4.43Å; P68-L72 WeakPolarHBondContact O-CB 3.46Å; P68-L72 PolarHBondContact O-N 3.1Å; S69-L72 PolarHBondContact O-N 3.06Å; D70-L72 PolarHBondContact O-N 3.04Å; L72-G75 PolarHBondContact O-N 3.21Å; L72-L76 HydrophobicContact CD1-CD1 3.97Å; L72-L76 HydrophobicContact CD1-CG 4.33Å; L72-L76 HydrophobicContact CG-CD1 4.14Å; L72-L76 WeakPolarHBondContact O-CG 3.19Å; L72-L76 PolarHBondContact O-N 3.31Å; L72-S109 VanDerWaalsContact CD1-O 3.25Å; L72-S109 WeakPolarHBondContact CD1-O 3.13Å; L72-C113 HydrophobicContact CD1-CB 4.37Å; L72-T535 HydrophobicContact CD2-CG2 4.27Å
73S84.9Confident79.3Confident16 Ų1639.1 Ų39.111%0.11223%0.229CC..Hα-helixtrans-68.5-42.4178.3179.50000112.7S69 D70 L71 G75 L76 F77 W532S69-S73 PolarHBondContact O-N 3.13Å; D70-S73 PolarHBondContact O-N 2.79Å; L71-S73 VanDerWaalsContact C-N 3.32Å; L71-S73 PolarHBondContact O-N 2.86Å; S73-G75 VanDerWaalsContact C-N 3.29Å; S73-G75 PolarHBondContact O-N 3.47Å; S73-L76 PolarHBondContact O-N 2.85Å; S73-F77 VanDerWaalsContact O-CB 3.32Å; S73-F77 WeakPolarHBondContact O-CB 3.29Å; S73-F77 PolarHBondContact O-N 3.37Å; S73-W532 PolarHBondContact O-NE1 3.2Å; S73-W532 PolarHBondContact OG-NE1 2.66Å
74V87.5Confident80.9Confident65 Ų6530.8 Ų30.839%0.39419%0.194SC..Hα-helixtrans-60-41.6173.3169.90000110.8D70 L71 G78D70-V74 WeakPolarHBondContact O-CG2 3.28Å; D70-V74 PolarHBondContact O-N 3.02Å; L71-V74 PolarHBondContact O-N 3.44Å; V74-G78 PolarHBondContact O-N 3.19Å
75G87.2Confident82.4Confident0 Ų029.4 Ų29.40%016%0.164CC..Hα-helixtrans-57.7-54.2171.900000112.5L71 L72 S73 F77 G78 L79 S109L71-G75 PolarHBondContact O-N 2.88Å; L72-G75 PolarHBondContact O-N 3.21Å; S73-G75 VanDerWaalsContact C-N 3.29Å; S73-G75 PolarHBondContact O-N 3.47Å; G75-F77 PolarHBondContact O-N 2.82Å; G75-G78 CarbonylContact O-C 3.59Å; G75-G78 PolarHBondContact O-N 3.03Å; G75-L79 WeakPolarHBondContact O-CG 3.35Å; G75-L79 PolarHBondContact O-N 3.48Å; G75-S109 VanDerWaalsContact CA-OG 3.25Å; G75-S109 WeakPolarHBondContact CA-OG 3.36Å; G75-S109 PolarHBondContact O-OG 2.94Å
76L87.9Confident83.7Confident0 Ų026.9 Ų26.90%015%0.146CC..Hα-helixtrans-63.8-39.2-178.8-75.9166.9000112.9V9 L12 L72 S73 L79 V80 S109 L531 W532 T535V9-L76 HydrophobicContact CG2-CD1 4.1Å; V9-L76 HydrophobicContact CG2-CD2 4.26Å; L12-L76 HydrophobicContact CD2-CD2 4.01Å; L72-L76 HydrophobicContact CD1-CD1 3.97Å; L72-L76 HydrophobicContact CD1-CG 4.33Å; L72-L76 HydrophobicContact CG-CD1 4.14Å; L72-L76 WeakPolarHBondContact O-CG 3.19Å; L72-L76 PolarHBondContact O-N 3.31Å; S73-L76 PolarHBondContact O-N 2.85Å; L76-L79 HydrophobicContact CD2-CD1 4.37Å; L76-L79 WeakPolarHBondContact O-CB 3.25Å; L76-L79 PolarHBondContact O-N 3.32Å; L76-L79 VanDerWaalsContact O-N 3.15Å; L76-V80 WeakPolarHBondContact O-CG2 3.48Å; L76-V80 PolarHBondContact O-N 2.69Å; L76-S109 PolarHBondContact N-OG 3.2Å; L76-L531 HydrophobicContact CD2-CD2 4.1Å; L76-L531 HydrophobicContact CD2-CG 4.35Å; L76-W532 HydrophobicContact CB-CB 4.16Å; L76-W532 HydrophobicContact CB-CG 4.44Å; L76-T535 HydrophobicContact CD1-CG2 3.54Å; L76-T535 WeakPolarHBondContact CD1-OG1 3.5Å
77F89.6Confident84.7Confident95 Ų9526.2 Ų26.242%0.41714%0.14SC..Hα-helixtrans-61.6-43.5173.7-177-113.7000111.6S73 G75 L79 V80 I81 W532S73-F77 VanDerWaalsContact O-CB 3.32Å; S73-F77 WeakPolarHBondContact O-CB 3.29Å; S73-F77 PolarHBondContact O-N 3.37Å; G75-F77 PolarHBondContact O-N 2.82Å; F77-L79 VanDerWaalsContact C-N 3.28Å; F77-L79 PolarHBondContact O-N 3.46Å; F77-V80 WeakPolarHBondContact O-CB 3.49Å; F77-V80 PolarHBondContact O-N 3.15Å; F77-V80 VanDerWaalsContact O-N 3.17Å; F77-I81 HydrophobicContact CD1-CD1 3.87Å; F77-I81 HydrophobicContact CE1-CD1 3.46Å; F77-I81 VanDerWaalsContact CE1-CD1 3.46Å; F77-I81 HydrophobicContact CE2-CD1 4.43Å; F77-I81 HydrophobicContact CZ-CD1 3.77Å; F77-I81 PolarHBondContact O-N 2.95Å; F77-I81 VanDerWaalsContact O-N 3.07Å; F77-W532 HydrophobicContact CD2-CD2 4.18Å; F77-W532 AromaticContact CD2-CE2 3.82Å; F77-W532 HydrophobicContact CD2-CE3 4.39Å; F77-W532 AromaticContact CD2-CH2 3.95Å; F77-W532 HydrophobicContact CD2-CH2 3.95Å; F77-W532 AromaticContact CD2-CZ2 3.71Å; F77-W532 HydrophobicContact CD2-CZ2 3.71Å; F77-W532 HydrophobicContact CD2-CZ3 4.29Å; F77-W532 HydrophobicContact CE2-CH2 4.17Å; F77-W532 HydrophobicContact CE2-CZ2 4.29Å; F77-W532 HydrophobicContact CG-CZ2 4.35Å
78G88.8Confident85.2Confident0 Ų029.3 Ų29.30%015%0.154CC..Hα-helixtrans-64.8-28.5173.200000114V74 G75 S82 F105V74-G78 PolarHBondContact O-N 3.19Å; G75-G78 CarbonylContact O-C 3.59Å; G75-G78 PolarHBondContact O-N 3.03Å; G78-S82 WeakPolarHBondContact O-CB 3.41Å; G78-S82 PolarHBondContact O-N 2.72Å; G78-S82 PolarHBondContact O-OG 2.98Å; G78-F105 VanDerWaalsContact C-CD2 3.45Å; G78-F105 VanDerWaalsContact CA-CG 3.44Å; G78-F105 WeakPolarHBondContact O-CD2 3.43Å
79L88.9Confident85.4Confident0 Ų028.7 Ų28.70%015%0.149CC..Hα-helixtrans-70.6-38.2169.6-69.9177.3000112.5V13 G75 L76 F77 I81 N83 Q102 F105 V106 S109V13-L79 HydrophobicContact CG2-CD1 4.01Å; G75-L79 WeakPolarHBondContact O-CG 3.35Å; G75-L79 PolarHBondContact O-N 3.48Å; L76-L79 HydrophobicContact CD2-CD1 4.37Å; L76-L79 WeakPolarHBondContact O-CB 3.25Å; L76-L79 PolarHBondContact O-N 3.32Å; L76-L79 VanDerWaalsContact O-N 3.15Å; F77-L79 VanDerWaalsContact C-N 3.28Å; F77-L79 PolarHBondContact O-N 3.46Å; L79-I81 PolarHBondContact O-N 3.11Å; L79-N83 WeakPolarHBondContact O-CB 3.39Å; L79-N83 PolarHBondContact O-N 2.89Å; L79-N83 PolarHBondContact O-ND2 3.45Å; L79-N83 VanDerWaalsContact O-ND2 3.09Å; L79-Q102 HydrophobicContact CD2-CG 4.41Å; L79-F105 HydrophobicContact CD2-CB 4.07Å; L79-F105 HydrophobicContact CG-CB 4.12Å; L79-V106 HydrophobicContact CD2-CG2 3.77Å; L79-S109 WeakPolarHBondContact CD1-OG 3.25Å
80V90.3Very high85.4Confident26 Ų2635.7 Ų35.716%0.15818%0.178CC..Hα-helixtrans-57.4-50.4171.3178.40000110.5L76 F77 G84 S525 S528 M529 W532L76-V80 WeakPolarHBondContact O-CG2 3.48Å; L76-V80 PolarHBondContact O-N 2.69Å; F77-V80 WeakPolarHBondContact O-CB 3.49Å; F77-V80 PolarHBondContact O-N 3.15Å; F77-V80 VanDerWaalsContact O-N 3.17Å; V80-G84 PolarHBondContact O-N 3Å; V80-S525 PolarHBondContact O-OG 2.76Å; V80-S525 VanDerWaalsContact O-OG 3.07Å; V80-S528 VanDerWaalsContact CG2-C 3.49Å; V80-M529 HydrophobicContact CG1-CB 4.15Å; V80-M529 HydrophobicContact CG2-CB 3.97Å; V80-W532 HydrophobicContact CG2-CB 4.36Å
81I90.4Very high85.1Confident73 Ų7341.1 Ų41.137%0.37420%0.203SC..Hα-helixtrans-63.8-54-179-67.5168.8000111F77 L79 N83 G84 L85F77-I81 HydrophobicContact CD1-CD1 3.87Å; F77-I81 HydrophobicContact CE1-CD1 3.46Å; F77-I81 VanDerWaalsContact CE1-CD1 3.46Å; F77-I81 HydrophobicContact CE2-CD1 4.43Å; F77-I81 HydrophobicContact CZ-CD1 3.77Å; F77-I81 PolarHBondContact O-N 2.95Å; F77-I81 VanDerWaalsContact O-N 3.07Å; L79-I81 PolarHBondContact O-N 3.11Å; I81-N83 PolarHBondContact O-N 3.38Å; I81-G84 PolarHBondContact O-N 3.44Å; I81-L85 HydrophobicContact CG2-CD1 3.68Å; I81-L85 HydrophobicContact CG2-CG 4.13Å; I81-L85 WeakPolarHBondContact O-CB 3.33Å; I81-L85 VanDerWaalsContact O-CG 3.29Å; I81-L85 WeakPolarHBondContact O-CG 3.36Å; I81-L85 PolarHBondContact O-N 2.92Å
82S89.9Confident84.7Confident0 Ų042.1 Ų42.10%021%0.208CC..Hα-helixtrans-64.5-40.6-176.452.90000112.6G78 G84 L85 V98G78-S82 WeakPolarHBondContact O-CB 3.41Å; G78-S82 PolarHBondContact O-N 2.72Å; G78-S82 PolarHBondContact O-OG 2.98Å; S82-G84 PolarHBondContact O-N 2.88Å; S82-L85 PolarHBondContact O-N 2.98Å; S82-V98 WeakPolarHBondContact O-CG1 3.44Å
83N87.5Confident84.5Confident0 Ų051.5 Ų51.50%024%0.244CC..Hα-helixtrans-66.7-36.2174.7-68.5-32.3000112.2L79 I81 Q102 L524 S528L79-N83 WeakPolarHBondContact O-CB 3.39Å; L79-N83 PolarHBondContact O-N 2.89Å; L79-N83 PolarHBondContact O-ND2 3.45Å; L79-N83 VanDerWaalsContact O-ND2 3.09Å; I81-N83 PolarHBondContact O-N 3.38Å; N83-Q102 PolarHBondContact OD1-NE2 3.1Å; N83-L524 HydrophobicContact CB-CD2 4.39Å; N83-L524 WeakPolarHBondContact OD1-CD2 3.42Å; N83-S528 PolarHBondContact ND2-OG 3.03Å
84G85.4Confident84.5Confident14 Ų1458.8 Ų58.814%0.14427%0.269CS..Hα-helixtrans-70.8-38176.500000113.7V80 I81 S82 I86 I87 F88V80-G84 PolarHBondContact O-N 3Å; I81-G84 PolarHBondContact O-N 3.44Å; S82-G84 PolarHBondContact O-N 2.88Å; G84-I86 VanDerWaalsContact C-N 3.29Å; G84-I86 PolarHBondContact O-N 3.07Å; G84-I87 PolarHBondContact O-N 3.09Å; G84-F88 WeakPolarHBondContact O-CD2 3.49Å
85L87.4Confident84.2Confident66 Ų6655.9 Ų55.935%0.34625%0.251SS..Hα-helixtrans-61.8-33.1-178.8-78.7172.4000113.1I81 S82 I87 F88 V89 V98I81-L85 HydrophobicContact CG2-CD1 3.68Å; I81-L85 HydrophobicContact CG2-CG 4.13Å; I81-L85 WeakPolarHBondContact O-CB 3.33Å; I81-L85 VanDerWaalsContact O-CG 3.29Å; I81-L85 WeakPolarHBondContact O-CG 3.36Å; I81-L85 PolarHBondContact O-N 2.92Å; S82-L85 PolarHBondContact O-N 2.98Å; L85-I87 PolarHBondContact O-N 3.5Å; L85-F88 PolarHBondContact O-N 3.15Å; L85-V89 PolarHBondContact O-N 2.88Å; L85-V98 HydrophobicContact CB-CG1 4Å; L85-V98 HydrophobicContact CB-CG2 3.75Å; L85-V98 HydrophobicContact CD1-CG2 4.16Å
86I82.6Confident84.1Confident0 Ų057.7 Ų57.70%026%0.26CS..THydrogen-bonded Turntrans-53.4-30-179.9-68.7174.5000112.8Y26 G84 M95 V98 Y521Y26-I86 HydrophobicContact CE1-CG2 4.2Å; Y26-I86 PolarHBondContact OH-O 2.99Å; G84-I86 VanDerWaalsContact C-N 3.29Å; G84-I86 PolarHBondContact O-N 3.07Å; I86-M95 HydrophobicContact CG1-CE 4.19Å; I86-M95 HydrophobicContact CG2-CE 3.98Å; I86-V98 HydrophobicContact CD1-CG1 4.24Å; I86-V98 HydrophobicContact CG1-CG1 3.44Å; I86-V98 VanDerWaalsContact CG1-CG1 3.44Å; I86-Y521 HydrophobicContact CB-CD2 4.45Å; I86-Y521 HydrophobicContact CB-CG 4.26Å; I86-Y521 HydrophobicContact CD1-CD1 3.54Å; I86-Y521 HydrophobicContact CD1-CD2 4.37Å; I86-Y521 HydrophobicContact CD1-CE1 3.35Å; I86-Y521 HydrophobicContact CD1-CE2 4.2Å; I86-Y521 HydrophobicContact CD1-CG 4.06Å; I86-Y521 HydrophobicContact CG2-CD1 4.43Å; I86-Y521 HydrophobicContact CG2-CD2 3.56Å; I86-Y521 HydrophobicContact CG2-CE2 3.92Å; I86-Y521 HydrophobicContact CG2-CG 3.85Å
87I80Confident84.2Confident45 Ų4559.6 Ų59.623%0.23128%0.276CS..THydrogen-bonded Turntrans-71.3-32.1-178.7-53.8167.4000111.5G84 L85 Q518 L522G84-I87 PolarHBondContact O-N 3.09Å; L85-I87 PolarHBondContact O-N 3.5Å; I87-Q518 HydrophobicContact CG2-CG 4.48Å; I87-L522 HydrophobicContact CD1-CB 3.72Å; I87-L522 HydrophobicContact CD1-CD1 3.84Å; I87-L522 HydrophobicContact CD1-CG 4.34Å
88F81.3Confident84.1Confident160 Ų16055.3 Ų55.370%0.70226%0.257SS*.THydrogen-bonded Turntrans-90.8-13.4-173.9-61.7-78.2000113.8G84 L85G84-F88 WeakPolarHBondContact O-CD2 3.49Å; L85-F88 PolarHBondContact O-N 3.15Å
89V79.4Confident84.1Confident15 Ų1555.3 Ų55.39%0.09126%0.258CS..  trans-76.4130.9-174.2174.20000112.4L85 H91 W94 M95 V98L85-V89 PolarHBondContact O-N 2.88Å; V89-H91 WeakPolarHBondContact CG1-O 3.46Å; V89-W94 HydrophobicContact CB-CB 4.37Å; V89-W94 HydrophobicContact CG1-CB 3.62Å; V89-W94 HydrophobicContact CG2-CB 3.85Å; V89-M95 HydrophobicContact CB-CG 4.31Å; V89-M95 HydrophobicContact CB-SD 3.51Å; V89-M95 VanDerWaalsContact CB-SD 3.51Å; V89-M95 HydrophobicContact CG1-CB 4.43Å; V89-M95 HydrophobicContact CG1-CG 3.51Å; V89-M95 HydrophobicContact CG1-SD 3.41Å; V89-M95 WeakPolarHBondContact CG1-SD 3.34Å; V89-M95 HydrophobicContact CG2-SD 4.08Å; V89-V98 HydrophobicContact CG2-CG2 4.12Å
90K74.8Confident84.2Confident158 Ų15858.8 Ų58.869%0.68727%0.273SS*.  trans-114-3.8175.7-60.2-179.5-178.1177.60114.6
91H75.5Confident84.3Confident126 Ų12660.1 Ų60.158%0.58328%0.279SS*.SBendtrans-137.9141.1-174.4-59-62.1000111.7V89 W93 W94 M95V89-H91 WeakPolarHBondContact CG1-O 3.46Å; H91-W93 VanDerWaalsContact C-N 3.3Å; H91-W93 PolarHBondContact O-N 3.16Å; H91-W94 PolarHBondContact O-N 3.45Å; H91-M95 PolarHBondContact O-N 3.22Å
92L74.9Confident84.2Confident24 Ų2456.7 Ų56.713%0.12626%0.261CS..Hα-helixtrans-53.1-41.5-176.3-172.774.2000113.7A31 E37 V41 W94 M95 L96A31-L92 HydrophobicContact CB-CB 4.07Å; A31-L92 HydrophobicContact CB-CD1 4.34Å; E37-L92 HydrophobicContact CB-CD2 3.74Å; E37-L92 HydrophobicContact CG-CD2 3.96Å; V41-L92 HydrophobicContact CG2-CD1 3.78Å; L92-W94 VanDerWaalsContact C-N 3.25Å; L92-W94 PolarHBondContact O-N 3.43Å; L92-M95 WeakPolarHBondContact O-CA 3.41Å; L92-M95 WeakPolarHBondContact O-CB 3.27Å; L92-M95 PolarHBondContact O-N 3.23Å; L92-L96 PolarHBondContact O-N 2.83Å
93W80.6Confident84.1Confident199 Ų19956.7 Ų56.775%0.75426%0.261SS*.Hα-helixtrans-59-33.4179.4-6799000113.7H91 L96 A97H91-W93 VanDerWaalsContact C-N 3.3Å; H91-W93 PolarHBondContact O-N 3.16Å; W93-L96 HydrophobicContact CE3-CD2 4.35Å; W93-L96 WeakPolarHBondContact O-CB 3.29Å; W93-A97 PolarHBondContact O-N 3.15Å
94W85.2Confident84.3Confident169 Ų16957.8 Ų57.864%0.6427%0.267SS*.Hα-helixtrans-79-31.3173.5-72.2110000111.9V89 H91 L92 L96 A97 V98V89-W94 HydrophobicContact CB-CB 4.37Å; V89-W94 HydrophobicContact CG1-CB 3.62Å; V89-W94 HydrophobicContact CG2-CB 3.85Å; H91-W94 PolarHBondContact O-N 3.45Å; L92-W94 VanDerWaalsContact C-N 3.25Å; L92-W94 PolarHBondContact O-N 3.43Å; W94-L96 VanDerWaalsContact C-N 3.32Å; W94-A97 PolarHBondContact O-N 3.4Å; W94-V98 WeakPolarHBondContact O-CB 3.32Å; W94-V98 VanDerWaalsContact O-CG2 3.24Å; W94-V98 WeakPolarHBondContact O-CG2 3.37Å; W94-V98 PolarHBondContact O-N 3.33Å
95M81.3Confident84.6Confident4 Ų458.9 Ų58.92%0.0227%0.268CS..Hα-helixtrans-63.1-41.7171.2-69.2-54.2-55.600110.8L27 I86 V89 H91 L92 A97 V98 F99L27-M95 HydrophobicContact CD2-CB 3.78Å; L27-M95 HydrophobicContact CD2-CE 3.68Å; L27-M95 HydrophobicContact CD2-CG 3.59Å; L27-M95 HydrophobicContact CD2-SD 4.31Å; I86-M95 HydrophobicContact CG1-CE 4.19Å; I86-M95 HydrophobicContact CG2-CE 3.98Å; V89-M95 HydrophobicContact CB-CG 4.31Å; V89-M95 HydrophobicContact CB-SD 3.51Å; V89-M95 VanDerWaalsContact CB-SD 3.51Å; V89-M95 HydrophobicContact CG1-CB 4.43Å; V89-M95 HydrophobicContact CG1-CG 3.51Å; V89-M95 HydrophobicContact CG1-SD 3.41Å; V89-M95 WeakPolarHBondContact CG1-SD 3.34Å; V89-M95 HydrophobicContact CG2-SD 4.08Å; H91-M95 PolarHBondContact O-N 3.22Å; L92-M95 WeakPolarHBondContact O-CA 3.41Å; L92-M95 WeakPolarHBondContact O-CB 3.27Å; L92-M95 PolarHBondContact O-N 3.23Å; M95-A97 PolarHBondContact O-N 3.14Å; M95-V98 PolarHBondContact O-N 2.78Å; M95-F99 HydrophobicContact CE-CD2 3.88Å; M95-F99 HydrophobicContact CE-CE2 3.45Å; M95-F99 VanDerWaalsContact CE-CE2 3.45Å; M95-F99 HydrophobicContact CE-CZ 4.45Å; M95-F99 WeakPolarHBondContact O-CB 3.37Å; M95-F99 WeakPolarHBondContact O-CD2 3.37Å; M95-F99 PolarHBondContact O-N 2.65Å
96L85Confident84.5Confident38 Ų3856 Ų5620%0.19925%0.253CS..Hα-helixtrans-54.2-51174.9-167.180.9000111.4L40 S44 L92 W93 W94 F100L40-L96 HydrophobicContact CB-CD1 4.34Å; L40-L96 HydrophobicContact CD2-CD1 3.84Å; L40-L96 HydrophobicContact CD2-CD2 4.41Å; L40-L96 HydrophobicContact CG-CD1 3.72Å; L40-L96 WeakPolarHBondContact O-CD1 3.43Å; S44-L96 VanDerWaalsContact CB-CD1 3.49Å; S44-L96 WeakPolarHBondContact CB-O 3.34Å; S44-L96 PolarHBondContact OG-O 3.46Å; L92-L96 PolarHBondContact O-N 2.83Å; W93-L96 HydrophobicContact CE3-CD2 4.35Å; W93-L96 WeakPolarHBondContact O-CB 3.29Å; W94-L96 VanDerWaalsContact C-N 3.32Å; L96-F100 WeakPolarHBondContact O-CB 3.41Å; L96-F100 PolarHBondContact O-N 2.89Å
97A88.9Confident84.6Confident39 Ų3956 Ų5632%0.32225%0.253SS..Hα-helixtrans-65.6-40.7178.800000112.6W93 W94 M95 F100 L101W93-A97 PolarHBondContact O-N 3.15Å; W94-A97 PolarHBondContact O-N 3.4Å; M95-A97 PolarHBondContact O-N 3.14Å; A97-F100 WeakPolarHBondContact O-CB 3.48Å; A97-F100 PolarHBondContact O-N 3.27Å; A97-L101 WeakPolarHBondContact O-CG 3.33Å; A97-L101 PolarHBondContact O-N 2.91Å
98V88.9Confident84.9Confident5 Ų554.1 Ų54.13%0.0324%0.243CC..Hα-helixtrans-70.5-37.6179.6173.70000111.9S82 L85 I86 V89 W94 M95 L101 Q102S82-V98 WeakPolarHBondContact O-CG1 3.44Å; L85-V98 HydrophobicContact CB-CG1 4Å; L85-V98 HydrophobicContact CB-CG2 3.75Å; L85-V98 HydrophobicContact CD1-CG2 4.16Å; I86-V98 HydrophobicContact CD1-CG1 4.24Å; I86-V98 HydrophobicContact CG1-CG1 3.44Å; I86-V98 VanDerWaalsContact CG1-CG1 3.44Å; V89-V98 HydrophobicContact CG2-CG2 4.12Å; W94-V98 WeakPolarHBondContact O-CB 3.32Å; W94-V98 VanDerWaalsContact O-CG2 3.24Å; W94-V98 WeakPolarHBondContact O-CG2 3.37Å; W94-V98 PolarHBondContact O-N 3.33Å; M95-V98 PolarHBondContact O-N 2.78Å; V98-L101 PolarHBondContact O-N 3.47Å; V98-Q102 WeakPolarHBondContact O-CB 3.48Å; V98-Q102 PolarHBondContact O-N 2.93Å
99F87.6Confident85.1Confident1 Ų146.5 Ų46.50%0.00421%0.21CC..Hα-helixtrans-70.2-33.7172.9-88.3-69.5000112.9I20 L27 V41 K45 M95 Q102 G103I20-F99 HydrophobicContact CD1-CD1 4.45Å; I20-F99 HydrophobicContact CD1-CE1 4.27Å; I20-F99 HydrophobicContact CG1-CE1 4.27Å; L27-F99 HydrophobicContact CD1-CE2 4.17Å; L27-F99 HydrophobicContact CD2-CE2 4.3Å; V41-F99 HydrophobicContact CG1-CB 4.03Å; V41-F99 HydrophobicContact CG1-CD2 3.15Å; V41-F99 HydrophobicContact CG1-CE2 3.66Å; V41-F99 HydrophobicContact CG1-CG 3.7Å; K45-F99 WeakPolarHBondContact CA-O 3.24Å; K45-F99 HydrophobicContact CB-CB 4.39Å; K45-F99 HydrophobicContact CD-CD1 4.19Å; M95-F99 HydrophobicContact CE-CD2 3.88Å; M95-F99 HydrophobicContact CE-CE2 3.45Å; M95-F99 VanDerWaalsContact CE-CE2 3.45Å; M95-F99 HydrophobicContact CE-CZ 4.45Å; M95-F99 WeakPolarHBondContact O-CB 3.37Å; M95-F99 WeakPolarHBondContact O-CD2 3.37Å; M95-F99 PolarHBondContact O-N 2.65Å; F99-Q102 PolarHBondContact O-N 3.49Å; F99-G103 PolarHBondContact O-N 3.47Å
100F91.1Very high85.1Confident73 Ų7345.9 Ų45.932%0.3221%0.206SC..Hα-helixtrans-59.9-49.7168.2167.9-91.9000111.5S44 V47 G48 L96 A97 Q102 G103 L104S44-F100 WeakPolarHBondContact O-CA 3.43Å; V47-F100 HydrophobicContact CB-CD2 4.46Å; V47-F100 HydrophobicContact CG1-CD2 4.27Å; V47-F100 HydrophobicContact CG1-CE2 4.09Å; G48-F100 VanDerWaalsContact CA-CD2 3.42Å; G48-F100 VanDerWaalsContact CA-O 3.29Å; G48-F100 WeakPolarHBondContact CA-O 3.29Å; L96-F100 WeakPolarHBondContact O-CB 3.41Å; L96-F100 PolarHBondContact O-N 2.89Å; A97-F100 WeakPolarHBondContact O-CB 3.48Å; A97-F100 PolarHBondContact O-N 3.27Å; F100-Q102 VanDerWaalsContact C-N 3.33Å; F100-Q102 PolarHBondContact O-N 3.39Å; F100-G103 PolarHBondContact O-N 2.89Å; F100-L104 HydrophobicContact CE1-CD1 4.39Å; F100-L104 HydrophobicContact CZ-CD1 4.12Å; F100-L104 WeakPolarHBondContact O-CB 3.35Å; F100-L104 PolarHBondContact O-N 3.4Å
101L91.9Very high85.3Confident54 Ų5438.5 Ų38.528%0.28317%0.174SC..Hα-helixtrans-61.4-40175.4-70173.1000111.9A97 V98 G103 L104 F105A97-L101 WeakPolarHBondContact O-CG 3.33Å; A97-L101 PolarHBondContact O-N 2.91Å; V98-L101 PolarHBondContact O-N 3.47Å; L101-G103 PolarHBondContact O-N 3.23Å; L101-L104 WeakPolarHBondContact O-CB 3.46Å; L101-L104 PolarHBondContact O-N 3.42Å; L101-F105 HydrophobicContact CB-CD2 4.26Å; L101-F105 HydrophobicContact CB-CE2 4.18Å; L101-F105 HydrophobicContact CD2-CE2 4.02Å; L101-F105 WeakPolarHBondContact O-CD2 3.35Å; L101-F105 PolarHBondContact O-N 3.21Å
102Q89.8Confident85.3Confident0 Ų032.5 Ų32.50%015%0.146CC..Hα-helixtrans-61-44.6176.2-162.9-166.253.100111.2L79 N83 V98 F99 F100 V106L79-Q102 HydrophobicContact CD2-CG 4.41Å; N83-Q102 PolarHBondContact OD1-NE2 3.1Å; V98-Q102 WeakPolarHBondContact O-CB 3.48Å; V98-Q102 PolarHBondContact O-N 2.93Å; F99-Q102 PolarHBondContact O-N 3.49Å; F100-Q102 VanDerWaalsContact C-N 3.33Å; F100-Q102 PolarHBondContact O-N 3.39Å; Q102-V106 VanDerWaalsContact O-CB 3.25Å; Q102-V106 WeakPolarHBondContact O-CB 3.42Å; Q102-V106 VanDerWaalsContact O-CG2 3.25Å; Q102-V106 WeakPolarHBondContact O-CG2 3.4Å; Q102-V106 PolarHBondContact O-N 3.41Å
103G87.2Confident85.3Confident0 Ų031.4 Ų31.40%014%0.14CC..Hα-helixtrans-62.6-43.7174.900000112.9F99 F100 L101 V106 T107F99-G103 PolarHBondContact O-N 3.47Å; F100-G103 PolarHBondContact O-N 2.89Å; L101-G103 PolarHBondContact O-N 3.23Å; G103-V106 PolarHBondContact O-N 3.14Å; G103-T107 PolarHBondContact O-N 3.22Å; G103-T107 VanDerWaalsContact O-N 3.11Å; G103-T107 PolarHBondContact O-OG1 3.21Å
104L91.2Very high84.8Confident23 Ų2322.1 Ų22.112%0.1211%0.106CC..Hα-helixtrans-56.6-53.6176.9-168.1106.8000111.3G48 F100 L101 T107 I108G48-L104 VanDerWaalsContact O-CA 3.22Å; G48-L104 WeakPolarHBondContact O-CA 3.29Å; G48-L104 PolarHBondContact O-N 2.98Å; F100-L104 HydrophobicContact CE1-CD1 4.39Å; F100-L104 HydrophobicContact CZ-CD1 4.12Å; F100-L104 WeakPolarHBondContact O-CB 3.35Å; F100-L104 PolarHBondContact O-N 3.4Å; L101-L104 WeakPolarHBondContact O-CB 3.46Å; L101-L104 PolarHBondContact O-N 3.42Å; L104-T107 PolarHBondContact O-N 3.19Å; L104-I108 HydrophobicContact CD2-CD1 3.8Å; L104-I108 HydrophobicContact CG-CD1 3.89Å; L104-I108 WeakPolarHBondContact O-CD1 3.21Å; L104-I108 VanDerWaalsContact O-CG1 3.27Å; L104-I108 WeakPolarHBondContact O-CG1 3.31Å; L104-I108 PolarHBondContact O-N 3.09Å
105F90.9Very high84Confident38 Ų3816.2 Ų16.217%0.1678%0.084CC..Hα-helixtrans-75.8-26.5-177-66-56.9000113.9G78 L79 L101 I108 S109G78-F105 VanDerWaalsContact C-CD2 3.45Å; G78-F105 VanDerWaalsContact CA-CG 3.44Å; G78-F105 WeakPolarHBondContact O-CD2 3.43Å; L79-F105 HydrophobicContact CD2-CB 4.07Å; L79-F105 HydrophobicContact CG-CB 4.12Å; L101-F105 HydrophobicContact CB-CD2 4.26Å; L101-F105 HydrophobicContact CB-CE2 4.18Å; L101-F105 HydrophobicContact CD2-CE2 4.02Å; L101-F105 WeakPolarHBondContact O-CD2 3.35Å; L101-F105 PolarHBondContact O-N 3.21Å; F105-I108 HydrophobicContact CD1-CD1 3.9Å; F105-I108 HydrophobicContact CE1-CD1 4.27Å; F105-S109 WeakPolarHBondContact O-CB 3.22Å; F105-S109 PolarHBondContact O-N 3.37Å; F105-S109 PolarHBondContact O-OG 3.06Å
106V87.3Confident83.5Confident6 Ų616.6 Ų16.64%0.0369%0.085CC..Hα-helixtrans-56.2-53.6165.7152.20000109.7V13 L79 Q102 G103 S109 L110V13-V106 HydrophobicContact CG1-CB 4.33Å; V13-V106 HydrophobicContact CG1-CG1 3.69Å; V13-V106 HydrophobicContact CG1-CG2 3.95Å; L79-V106 HydrophobicContact CD2-CG2 3.77Å; Q102-V106 VanDerWaalsContact O-CB 3.25Å; Q102-V106 WeakPolarHBondContact O-CB 3.42Å; Q102-V106 VanDerWaalsContact O-CG2 3.25Å; Q102-V106 WeakPolarHBondContact O-CG2 3.4Å; Q102-V106 PolarHBondContact O-N 3.41Å; G103-V106 PolarHBondContact O-N 3.14Å; V106-S109 PolarHBondContact O-N 3.48Å; V106-L110 HydrophobicContact CG1-CD1 4.04Å; V106-L110 VanDerWaalsContact O-CG 3.29Å; V106-L110 WeakPolarHBondContact O-CG 3.35Å; V106-L110 PolarHBondContact O-N 3.13Å; V106-L110 VanDerWaalsContact O-N 3.16Å
107T84.5Confident82.5Confident0 Ų016.4 Ų16.40%08%0.082CC..Hα-helixtrans-66.8-41.9-177.5-60.20000112.1C49 W53 G103 L104 S109 L110 Q111 L871C49-T107 WeakPolarHBondContact CA-OG1 3.13Å; C49-T107 PolarHBondContact O-OG1 3.2Å; W53-T107 HydrophobicContact CB-CG2 3.86Å; G103-T107 PolarHBondContact O-N 3.22Å; G103-T107 VanDerWaalsContact O-N 3.11Å; G103-T107 PolarHBondContact O-OG1 3.21Å; L104-T107 PolarHBondContact O-N 3.19Å; T107-S109 PolarHBondContact O-N 3.07Å; T107-L110 PolarHBondContact O-N 3.49Å; T107-Q111 HydrophobicContact CG2-CG 4.23Å; T107-Q111 WeakPolarHBondContact O-CG 3.25Å; T107-Q111 PolarHBondContact O-N 2.94Å; T107-L871 HydrophobicContact CG2-CD2 3.98Å
108I86Confident81.2Confident5 Ų516.6 Ų16.63%0.0268%0.076CC..Hα-helixtrans-59-46.3177.3-68.4162.1000111.5V55 S56 L71 L104 F105 L110 Q111 G112V55-I108 HydrophobicContact CG1-CD1 4.47Å; S56-I108 WeakPolarHBondContact OG-CA 3.39Å; S56-I108 WeakPolarHBondContact OG-CG1 3.34Å; L71-I108 HydrophobicContact CD1-CG2 3.74Å; L71-I108 HydrophobicContact CG-CG2 3.98Å; L71-I108 WeakPolarHBondContact O-CG2 3.43Å; L104-I108 HydrophobicContact CD2-CD1 3.8Å; L104-I108 HydrophobicContact CG-CD1 3.89Å; L104-I108 WeakPolarHBondContact O-CD1 3.21Å; L104-I108 VanDerWaalsContact O-CG1 3.27Å; L104-I108 WeakPolarHBondContact O-CG1 3.31Å; L104-I108 PolarHBondContact O-N 3.09Å; F105-I108 HydrophobicContact CD1-CD1 3.9Å; F105-I108 HydrophobicContact CE1-CD1 4.27Å; I108-L110 VanDerWaalsContact C-N 3.3Å; I108-L110 PolarHBondContact O-N 3.01Å; I108-Q111 PolarHBondContact O-N 3.01Å; I108-G112 PolarHBondContact O-N 3.46Å
109S84.8Confident79.7Confident0 Ų020.3 Ų20.30%010%0.102CC..Hα-helixtrans-58.6-43.2177.1-56.70000111.9L72 G75 L76 L79 F105 V106 T107 C113L72-S109 VanDerWaalsContact CD1-O 3.25Å; L72-S109 WeakPolarHBondContact CD1-O 3.13Å; G75-S109 VanDerWaalsContact CA-OG 3.25Å; G75-S109 WeakPolarHBondContact CA-OG 3.36Å; G75-S109 PolarHBondContact O-OG 2.94Å; L76-S109 PolarHBondContact N-OG 3.2Å; L79-S109 WeakPolarHBondContact CD1-OG 3.25Å; F105-S109 WeakPolarHBondContact O-CB 3.22Å; F105-S109 PolarHBondContact O-N 3.37Å; F105-S109 PolarHBondContact O-OG 3.06Å; V106-S109 PolarHBondContact O-N 3.48Å; T107-S109 PolarHBondContact O-N 3.07Å; S109-C113 WeakPolarHBondContact O-CB 3.44Å; S109-C113 PolarHBondContact O-N 2.82Å; S109-C113 VanDerWaalsContact O-N 3.15Å
110L79.6Confident78.3Confident1 Ų123.1 Ų23.11%0.00512%0.119CC..Hα-helixtrans-74-40.9-176.8-65.2172.2000111.9F10 V13 V106 T107 I108 C113 V114 L871F10-L110 HydrophobicContact CD1-CD2 4.32Å; F10-L110 HydrophobicContact CD2-CD2 4.24Å; F10-L110 HydrophobicContact CE1-CD2 3.66Å; F10-L110 HydrophobicContact CE2-CD2 3.55Å; F10-L110 HydrophobicContact CZ-CD2 3.18Å; F10-L110 HydrophobicContact CZ-CG 4.46Å; V13-L110 HydrophobicContact CB-CD2 4.32Å; V13-L110 HydrophobicContact CG1-CD1 3.65Å; V13-L110 HydrophobicContact CG1-CD2 4.23Å; V13-L110 HydrophobicContact CG1-CG 4.16Å; V13-L110 HydrophobicContact CG2-CD2 4.34Å; V106-L110 HydrophobicContact CG1-CD1 4.04Å; V106-L110 VanDerWaalsContact O-CG 3.29Å; V106-L110 WeakPolarHBondContact O-CG 3.35Å; V106-L110 PolarHBondContact O-N 3.13Å; V106-L110 VanDerWaalsContact O-N 3.16Å; T107-L110 PolarHBondContact O-N 3.49Å; I108-L110 VanDerWaalsContact C-N 3.3Å; I108-L110 PolarHBondContact O-N 3.01Å; L110-C113 WeakPolarHBondContact O-CB 3.25Å; L110-C113 PolarHBondContact O-N 2.79Å; L110-V114 PolarHBondContact O-N 3.36Å; L110-V114 VanDerWaalsContact O-N 3.12Å; L110-L871 HydrophobicContact CB-CB 3.94Å; L110-L871 HydrophobicContact CB-CD2 4.34Å; L110-L871 HydrophobicContact CD1-CB 3.63Å; L110-L871 HydrophobicContact CD1-CD1 3.73Å; L110-L871 HydrophobicContact CD1-CD2 3.84Å; L110-L871 HydrophobicContact CD1-CG 3.93Å; L110-L871 HydrophobicContact CG-CB 4.38Å
111Q78.6Confident76.5Confident4 Ų426.6 Ų26.62%0.01914%0.135CC..Hα-helixtrans-59.8-49.8172.7-74.3-141.324.600112W53 L71 T107 I108 C113 V114 Y115 I874W53-Q111 PolarHBondContact O-NE2 3.38Å; W53-Q111 VanDerWaalsContact O-NE2 3.15Å; L71-Q111 HydrophobicContact CD2-CB 4.48Å; T107-Q111 HydrophobicContact CG2-CG 4.23Å; T107-Q111 WeakPolarHBondContact O-CG 3.25Å; T107-Q111 PolarHBondContact O-N 2.94Å; I108-Q111 PolarHBondContact O-N 3.01Å; Q111-C113 PolarHBondContact O-N 3.4Å; Q111-V114 PolarHBondContact O-N 2.92Å; Q111-Y115 WeakPolarHBondContact O-CD2 3.5Å; Q111-Y115 PolarHBondContact O-N 3.29Å; Q111-Y115 VanDerWaalsContact O-N 3.11Å; Q111-I874 HydrophobicContact CB-CD1 4.45Å; Q111-I874 HydrophobicContact CG-CD1 3.99Å
112G75.7Confident74.4Confident0 Ų030 Ų300%015%0.148CC..Hα-helixtrans-55.4-37.6176.300000112.4P68 I108 V114 H116P68-G112 WeakPolarHBondContact O-CA 3.22Å; I108-G112 PolarHBondContact O-N 3.46Å; G112-V114 PolarHBondContact O-N 3.34Å; G112-H116 WeakPolarHBondContact O-CB 3.42Å; G112-H116 PolarHBondContact O-N 2.84Å
113C75.9Confident72.4Confident0 Ų037.3 Ų37.30%018%0.176CC..Hα-helixtrans-66.5-29.6173.1-170.50000114.1F6 F10 L72 S109 L110 Q111 R117 M872F6-C113 HydrophobicContact CD1-CB 4.49Å; F6-C113 WeakPolarHBondContact CD1-SG 3.48Å; F10-C113 HydrophobicContact CE2-CB 4.22Å; L72-C113 HydrophobicContact CD1-CB 4.37Å; S109-C113 WeakPolarHBondContact O-CB 3.44Å; S109-C113 PolarHBondContact O-N 2.82Å; S109-C113 VanDerWaalsContact O-N 3.15Å; L110-C113 WeakPolarHBondContact O-CB 3.25Å; L110-C113 PolarHBondContact O-N 2.79Å; Q111-C113 PolarHBondContact O-N 3.4Å; C113-R117 VanDerWaalsContact O-CB 3.23Å; C113-R117 WeakPolarHBondContact O-CB 3.46Å; C113-R117 PolarHBondContact O-N 3.06Å; C113-M872 HydrophobicContact CB-CE 3.67Å
114V69.7Low70.6Confident5 Ų540.9 Ų40.93%0.0320%0.195CC..Hα-helixtrans-72.5-56.2175.5-171.90000110L110 Q111 G112 H116 R117 E118 L871 M872 I874L110-V114 PolarHBondContact O-N 3.36Å; L110-V114 VanDerWaalsContact O-N 3.12Å; Q111-V114 PolarHBondContact O-N 2.92Å; G112-V114 PolarHBondContact O-N 3.34Å; V114-H116 VanDerWaalsContact C-N 3.35Å; V114-H116 PolarHBondContact O-N 3.42Å; V114-R117 CarbonylContact O-C 3.58Å; V114-R117 WeakPolarHBondContact O-CA 3.4Å; V114-R117 WeakPolarHBondContact O-CB 3.32Å; V114-R117 PolarHBondContact O-N 3.21Å; V114-E118 PolarHBondContact O-N 3.45Å; V114-L871 WeakPolarHBondContact CG2-O 3.34Å; V114-M872 HydrophobicContact CB-CE 4.2Å; V114-M872 HydrophobicContact CG2-CE 3.38Å; V114-M872 HydrophobicContact CG2-SD 4.07Å; V114-I874 HydrophobicContact CB-CB 4.43Å; V114-I874 HydrophobicContact CB-CD1 4.39Å; V114-I874 HydrophobicContact CB-CG1 4.46Å; V114-I874 HydrophobicContact CG1-CB 3.82Å; V114-I874 HydrophobicContact CG1-CG1 4.3Å; V114-I874 HydrophobicContact CG2-CD1 4.4Å; V114-I874 HydrophobicContact CG2-CG1 4.35Å
115Y69.2Low68.8Low45 Ų4542.3 Ų42.318%0.17620%0.201CC..Hα-helixtrans-66-36.7-173.4-73.8-83.2000112.1L60 Q111 R117 E118 S119 I874L60-Y115 HydrophobicContact CD1-CD1 4.28Å; L60-Y115 HydrophobicContact CD1-CD2 3.22Å; L60-Y115 HydrophobicContact CD1-CE1 4.27Å; L60-Y115 HydrophobicContact CD1-CE2 3.21Å; L60-Y115 HydrophobicContact CD1-CG 3.76Å; Q111-Y115 WeakPolarHBondContact O-CD2 3.5Å; Q111-Y115 PolarHBondContact O-N 3.29Å; Q111-Y115 VanDerWaalsContact O-N 3.11Å; Y115-R117 PolarHBondContact O-N 3.35Å; Y115-E118 PolarHBondContact O-N 2.93Å; Y115-S119 PolarHBondContact O-N 2.86Å; Y115-S119 PolarHBondContact O-OG 3.19Å; Y115-I874 HydrophobicContact CD2-CD1 4.02Å; Y115-I874 HydrophobicContact CE1-CG2 4.15Å; Y115-I874 HydrophobicContact CE2-CD1 3.34Å; Y115-I874 HydrophobicContact CE2-CG1 4.49Å; Y115-I874 HydrophobicContact CE2-CG2 4.13Å
116H69.5Low67.3Low12 Ų1245 Ų456%0.05622%0.216CC..Hα-helixtrans-63.6-30.8171.6-174.5-10.8000111.7P68 G112 V114 S119 V120P68-H116 HydrophobicContact CB-CB 4.13Å; P68-H116 HydrophobicContact CG-CB 4.15Å; G112-H116 WeakPolarHBondContact O-CB 3.42Å; G112-H116 PolarHBondContact O-N 2.84Å; V114-H116 VanDerWaalsContact C-N 3.35Å; V114-H116 PolarHBondContact O-N 3.42Å; H116-S119 PolarHBondContact O-OG 3.24Å; H116-V120 WeakPolarHBondContact O-CG2 3.34Å
117R64.9Low66.1Low34 Ų3446.5 Ų46.513%0.12823%0.225CC..Hα-helixtrans-78.5-39.2178.1-178.5178.2167.3-83.4-28.5111.9C113 V114 Y115 V120 K121 L124C113-R117 VanDerWaalsContact O-CB 3.23Å; C113-R117 WeakPolarHBondContact O-CB 3.46Å; C113-R117 PolarHBondContact O-N 3.06Å; V114-R117 CarbonylContact O-C 3.58Å; V114-R117 WeakPolarHBondContact O-CA 3.4Å; V114-R117 WeakPolarHBondContact O-CB 3.32Å; V114-R117 PolarHBondContact O-N 3.21Å; Y115-R117 PolarHBondContact O-N 3.35Å; R117-V120 PolarHBondContact O-N 2.95Å; R117-K121 PolarHBondContact O-N 3.38Å; R117-L124 PolarHBondContact NH2-O 2.84Å
118E60.7Low65.2Low42 Ų4247.2 Ų47.220%0.19623%0.23CC..Hα-helixtrans-64.3-42.7176.7-172.2153.9-149.900111.4V114 Y115 V120 L876V114-E118 PolarHBondContact O-N 3.45Å; Y115-E118 PolarHBondContact O-N 2.93Å; E118-V120 PolarHBondContact O-N 3.39Å; E118-L876 HydrophobicContact CG-CD1 4.38Å; E118-L876 WeakPolarHBondContact OE1-CD1 3.5Å
119S58.2Low64.4Low83 Ų8348.5 Ų48.558%0.5824%0.236SC*.THydrogen-bonded Turntrans-67.1-14.9175.868.20000115Y115 H116Y115-S119 PolarHBondContact O-N 2.86Å; Y115-S119 PolarHBondContact O-OG 3.19Å; H116-S119 PolarHBondContact O-OG 3.24Å
120V57.3Low63.9Low60 Ų6054.4 Ų54.436%0.36426%0.259SS..THydrogen-bonded Turntrans-97.9-46.5-174.41680000113.6H116 R117 E118H116-V120 WeakPolarHBondContact O-CG2 3.34Å; R117-V120 PolarHBondContact O-N 2.95Å; E118-V120 PolarHBondContact O-N 3.39Å
121K52.8Low63.7Low147 Ų14754.5 Ų54.564%0.63926%0.259SS*.  trans-152.3115.9174.3-68.2-161.9179.6-1630113.7R117 R123R117-K121 PolarHBondContact O-N 3.38Å; K121-R123 VanDerWaalsContact C-N 3.27Å; K121-R123 PolarHBondContact O-N 3.5Å
122H48.7Very low63.3Low124 Ų12454.6 Ų54.657%0.57426%0.26SS*.SBendtrans-59.5-10.4-179.3-91.3-60000118
123R48.1Very low63.5Low155 Ų15556 Ų5659%0.58527%0.269SS*.  trans-120.733.9-158-63-162.6-175172.510.9117.9K121 G768K121-R123 VanDerWaalsContact C-N 3.27Å; K121-R123 PolarHBondContact O-N 3.5Å; R123-G768 WeakPolarHBondContact CG-O 3.37Å; R123-G768 PolarHBondContact NE-O 3.4Å; R123-G768 VanDerWaalsContact NE-O 3.11Å
124L49.5Very low63.9Low75 Ų7556.5 Ų56.539%0.39327%0.272SS..  trans-132.6104.5172.6-8391.7000113.7R117 I126 V127R117-L124 PolarHBondContact NH2-O 2.84Å; L124-I126 VanDerWaalsContact C-N 3.35Å; L124-V127 HydrophobicContact CB-CG2 4.09Å; L124-V127 HydrophobicContact CD2-CG2 3.73Å
125H52.5Low64.6Low53 Ų5358 Ų5825%0.24528%0.278CS..SBendtrans-81.8-10170.3-63.4-63.9000114L876H125-L876 PolarHBondContact CE1-O 3.04Å; H125-L876 VanDerWaalsContact CE1-O 3.23Å; H125-L876 PolarHBondContact ND1-O 3.33Å
126I60.2Low65.3Low93 Ų9356.3 Ų56.348%0.47727%0.272SS..Hα-helixtrans-74.6-34.6-179.1-58.1169.9000112L124 Q129 Y130L124-I126 VanDerWaalsContact C-N 3.35Å; I126-Q129 WeakPolarHBondContact O-CB 3.44Å; I126-Q129 PolarHBondContact O-N 3.48Å; I126-Y130 PolarHBondContact O-N 3.05Å; I126-Y130 VanDerWaalsContact O-N 3.17Å
127V62.5Low66.1Low39 Ų3958.6 Ų58.624%0.23628%0.284CS..Hα-helixtrans-68-38.7-169.1178.40000114.1L124 Q129 Y130 L131L124-V127 HydrophobicContact CB-CG2 4.09Å; L124-V127 HydrophobicContact CD2-CG2 3.73Å; V127-Q129 VanDerWaalsContact C-N 3.29Å; V127-Q129 PolarHBondContact O-N 3.31Å; V127-Y130 PolarHBondContact O-N 3.33Å; V127-L131 HydrophobicContact CG1-CD1 3.79Å; V127-L131 HydrophobicContact CG1-CG 4Å; V127-L131 WeakPolarHBondContact O-CG 3.31Å; V127-L131 PolarHBondContact O-N 2.93Å
128P63.9Low66.9Low14 Ų1457 Ų579%0.09128%0.278CS..Hα-helixtrans-57.6-40.5172.8-26.135.9000112.8L131 T132P128-L131 PolarHBondContact O-N 2.72Å; P128-T132 PolarHBondContact O-N 3.1Å; P128-T132 PolarHBondContact O-OG1 3.32Å
129Q69.3Low68Low33 Ų3355 Ų5515%0.15427%0.269CS..Hα-helixtrans-61.8-45176.3-56.8-177.8-5.400111.5I126 V127 T133 L752 N756 T868I126-Q129 WeakPolarHBondContact O-CB 3.44Å; I126-Q129 PolarHBondContact O-N 3.48Å; V127-Q129 VanDerWaalsContact C-N 3.29Å; V127-Q129 PolarHBondContact O-N 3.31Å; Q129-T133 PolarHBondContact O-N 3.32Å; Q129-T133 PolarHBondContact O-OG1 3.4Å; Q129-L752 HydrophobicContact CB-CD1 3.89Å; Q129-L752 HydrophobicContact CB-CD2 4.16Å; Q129-L752 HydrophobicContact CG-CD2 3.85Å; Q129-N756 PolarHBondContact OE1-ND2 2.97Å; Q129-N756 VanDerWaalsContact OE1-ND2 3.12Å; Q129-T868 HydrophobicContact CG-CG2 4.02Å
130Y74.9Confident69.3Low123 Ų12351.5 Ų51.548%0.48224%0.244SC..Hα-helixtrans-63.4-44.1176.1176.9-95.9000112T7 I126 V127 T133 V134T7-Y130 HydrophobicContact CG2-CE1 4.43Å; I126-Y130 PolarHBondContact O-N 3.05Å; I126-Y130 VanDerWaalsContact O-N 3.17Å; V127-Y130 PolarHBondContact O-N 3.33Å; Y130-T133 VanDerWaalsContact O-CB 3.32Å; Y130-T133 WeakPolarHBondContact O-CB 3.31Å; Y130-T133 PolarHBondContact O-N 3.45Å; Y130-V134 HydrophobicContact CD1-CG2 4.22Å; Y130-V134 HydrophobicContact CE1-CG2 3.81Å; Y130-V134 HydrophobicContact CE2-CG2 4.37Å; Y130-V134 WeakPolarHBondContact O-CG2 3.27Å; Y130-V134 PolarHBondContact O-N 3.08Å
131L74.7Confident70.6Confident3 Ų353.7 Ų53.72%0.01625%0.249CC..Hα-helixtrans-65.9-41.6178.9-69.9176000112.2F6 F10 V127 P128 T133 V134 F135 M872F6-L131 HydrophobicContact CB-CD2 4.4Å; F10-L131 HydrophobicContact CB-CD2 4.28Å; F10-L131 HydrophobicContact CD1-CB 3.68Å; F10-L131 VanDerWaalsContact CD1-O 3.27Å; F10-L131 WeakPolarHBondContact CD1-O 3.26Å; F10-L131 HydrophobicContact CD2-CB 4.34Å; F10-L131 HydrophobicContact CD2-CD1 4.38Å; F10-L131 HydrophobicContact CD2-CD2 3.87Å; F10-L131 HydrophobicContact CD2-CG 4.42Å; F10-L131 HydrophobicContact CE1-CB 3.95Å; F10-L131 HydrophobicContact CE2-CD1 4.26Å; F10-L131 HydrophobicContact CG-CB 3.93Å; F10-L131 HydrophobicContact CG-CD2 3.9Å; F10-L131 HydrophobicContact CG-CG 4.39Å; F10-L131 HydrophobicContact CZ-CB 4.43Å; V127-L131 HydrophobicContact CG1-CD1 3.79Å; V127-L131 HydrophobicContact CG1-CG 4Å; V127-L131 WeakPolarHBondContact O-CG 3.31Å; V127-L131 PolarHBondContact O-N 2.93Å; P128-L131 PolarHBondContact O-N 2.72Å; L131-T133 VanDerWaalsContact C-N 3.3Å; L131-T133 PolarHBondContact O-N 3.39Å; L131-V134 PolarHBondContact O-N 3.13Å; L131-F135 PolarHBondContact O-N 3.38Å; L131-M872 HydrophobicContact CB-CG 4.21Å; L131-M872 HydrophobicContact CD1-CE 4.39Å; L131-M872 HydrophobicContact CD1-CG 4.22Å; L131-M872 HydrophobicContact CD1-SD 3.54Å; L131-M872 VanDerWaalsContact CD1-SD 3.54Å
132T71.9Confident71.8Confident7 Ų746.7 Ų46.74%0.04322%0.218CC..Hα-helixtrans-60.4-39.5171.3-61.30000111.7P128 V134 F135 L136 F748 D869 T870P128-T132 PolarHBondContact O-N 3.1Å; P128-T132 PolarHBondContact O-OG1 3.32Å; T132-V134 VanDerWaalsContact C-N 3.34Å; T132-V134 PolarHBondContact O-N 3.24Å; T132-F135 PolarHBondContact O-N 3.48Å; T132-L136 HydrophobicContact CG2-CD1 4.28Å; T132-L136 WeakPolarHBondContact O-CG 3.32Å; T132-L136 PolarHBondContact O-N 3.37Å; T132-F748 HydrophobicContact CG2-CD1 4.41Å; T132-F748 HydrophobicContact CG2-CE1 3.71Å; T132-F748 HydrophobicContact CG2-CE2 3.94Å; T132-F748 HydrophobicContact CG2-CZ 3.44Å; T132-F748 VanDerWaalsContact CG2-CZ 3.44Å; T132-D869 WeakPolarHBondContact CG2-O 3.25Å; T132-D869 PolarHBondContact OG1-O 2.87Å; T132-T870 WeakPolarHBondContact OG1-CG2 3.27Å
133T79.7Confident72.8Confident29 Ų2940.8 Ų40.818%0.17819%0.191CC..Hα-helixtrans-60.5-42.8174.3-54.70000111.5Q129 Y130 L131 L136 L137 L745 L749Q129-T133 PolarHBondContact O-N 3.32Å; Q129-T133 PolarHBondContact O-OG1 3.4Å; Y130-T133 VanDerWaalsContact O-CB 3.32Å; Y130-T133 WeakPolarHBondContact O-CB 3.31Å; Y130-T133 PolarHBondContact O-N 3.45Å; L131-T133 VanDerWaalsContact C-N 3.3Å; L131-T133 PolarHBondContact O-N 3.39Å; T133-L136 PolarHBondContact O-N 3.4Å; T133-L137 VanDerWaalsContact O-CB 3.3Å; T133-L137 WeakPolarHBondContact O-CB 3.36Å; T133-L137 PolarHBondContact O-N 2.89Å; T133-L745 HydrophobicContact CG2-CD1 3.82Å; T133-L749 HydrophobicContact CG2-CD2 3.89Å; T133-L749 HydrophobicContact CG2-CG 4.47Å
134V84.7Confident74Confident10 Ų1038.1 Ų38.16%0.06118%0.182CC..Hα-helixtrans-68.5-36.6178.21720000112.3T7 F10 L11 Y130 L131 T132 L137 G138T7-V134 HydrophobicContact CG2-CG1 3.88Å; T7-V134 HydrophobicContact CG2-CG2 4.1Å; T7-V134 VanDerWaalsContact O-CG1 3.3Å; T7-V134 WeakPolarHBondContact O-CG1 3.3Å; F10-V134 HydrophobicContact CB-CB 4.29Å; F10-V134 HydrophobicContact CB-CG1 3.9Å; L11-V134 HydrophobicContact CB-CG1 3.96Å; Y130-V134 HydrophobicContact CD1-CG2 4.22Å; Y130-V134 HydrophobicContact CE1-CG2 3.81Å; Y130-V134 HydrophobicContact CE2-CG2 4.37Å; Y130-V134 WeakPolarHBondContact O-CG2 3.27Å; Y130-V134 PolarHBondContact O-N 3.08Å; L131-V134 PolarHBondContact O-N 3.13Å; T132-V134 VanDerWaalsContact C-N 3.34Å; T132-V134 PolarHBondContact O-N 3.24Å; V134-L137 PolarHBondContact O-N 3.03Å; V134-G138 PolarHBondContact O-N 2.88Å
135F83.8Confident75.2Confident38 Ų3836.1 Ų36.117%0.16717%0.171CC..Hα-helixtrans-63.2-49.5172.6167.3-92.8000111.8F10 V13 G14 T17 L131 T132 L137 G138 C139F10-F135 HydrophobicContact CD1-CB 4.02Å; V13-F135 HydrophobicContact CG1-CD2 4.36Å; V13-F135 HydrophobicContact CG1-CE2 4.13Å; G14-F135 VanDerWaalsContact CA-CD2 3.49Å; G14-F135 WeakPolarHBondContact CA-O 3.37Å; T17-F135 HydrophobicContact CG2-CZ 4.06Å; L131-F135 PolarHBondContact O-N 3.38Å; T132-F135 PolarHBondContact O-N 3.48Å; F135-L137 VanDerWaalsContact C-N 3.29Å; F135-L137 PolarHBondContact O-N 3.2Å; F135-G138 WeakPolarHBondContact O-CA 3.28Å; F135-G138 PolarHBondContact O-N 3.37Å; F135-C139 PolarHBondContact O-N 2.82Å
136L82.7Confident75.9Confident8 Ų834.3 Ų34.34%0.04216%0.163CC..Hα-helixtrans-61.8-37.5176.2-73.1173.2000111.8T132 T133 G138 C139 V140 W741 L745 F748T132-L136 HydrophobicContact CG2-CD1 4.28Å; T132-L136 WeakPolarHBondContact O-CG 3.32Å; T132-L136 PolarHBondContact O-N 3.37Å; T133-L136 PolarHBondContact O-N 3.4Å; L136-G138 VanDerWaalsContact C-N 3.31Å; L136-G138 PolarHBondContact O-N 3.49Å; L136-C139 WeakPolarHBondContact O-CB 3.3Å; L136-C139 PolarHBondContact O-N 3.39Å; L136-C139 VanDerWaalsContact O-N 3.13Å; L136-V140 WeakPolarHBondContact O-CG2 3.12Å; L136-V140 PolarHBondContact O-N 2.9Å; L136-W741 HydrophobicContact CD2-CE3 4.3Å; L136-W741 HydrophobicContact CD2-CZ3 4.3Å; L136-L745 HydrophobicContact CB-CB 4.3Å; L136-L745 HydrophobicContact CB-CD1 3.86Å; L136-F748 HydrophobicContact CD1-CB 3.97Å; L136-F748 HydrophobicContact CD1-CD1 3.91Å; L136-F748 HydrophobicContact CD1-CG 3.96Å
137L86.8Confident76.1Confident61 Ų6132.9 Ų32.932%0.31915%0.154SC..Hα-helixtrans-62.5-36.9172.8-174.464000112.2T133 V134 F135 V140 F141 L745T133-L137 VanDerWaalsContact O-CB 3.3Å; T133-L137 WeakPolarHBondContact O-CB 3.36Å; T133-L137 PolarHBondContact O-N 2.89Å; V134-L137 PolarHBondContact O-N 3.03Å; F135-L137 VanDerWaalsContact C-N 3.29Å; F135-L137 PolarHBondContact O-N 3.2Å; L137-V140 PolarHBondContact O-N 3.41Å; L137-F141 HydrophobicContact CD1-CD2 4.02Å; L137-F141 HydrophobicContact CD1-CE2 3.52Å; L137-F141 HydrophobicContact CD1-CZ 4.22Å; L137-F141 HydrophobicContact CD2-CE2 4.13Å; L137-F141 HydrophobicContact CG-CD2 3.88Å; L137-F141 HydrophobicContact CG-CE2 3.62Å; L137-F141 VanDerWaalsContact O-CD2 3.28Å; L137-F141 WeakPolarHBondContact O-CD2 3.28Å; L137-F141 PolarHBondContact O-N 2.73Å; L137-L745 HydrophobicContact CD1-CD2 4.13Å
138G83.1Confident75.9Confident0 Ų034.8 Ų34.80%016%0.162CC..Hα-helixtrans-58.6-49168.200000111.9L15 V134 F135 L136 V140 F141 T142L15-G138 WeakPolarHBondContact CD2-O 3.24Å; V134-G138 PolarHBondContact O-N 2.88Å; F135-G138 WeakPolarHBondContact O-CA 3.28Å; F135-G138 PolarHBondContact O-N 3.37Å; L136-G138 VanDerWaalsContact C-N 3.31Å; L136-G138 PolarHBondContact O-N 3.49Å; G138-V140 VanDerWaalsContact C-N 3.28Å; G138-V140 PolarHBondContact O-N 3.47Å; G138-F141 PolarHBondContact O-N 3.19Å; G138-T142 PolarHBondContact O-N 2.85Å; G138-T142 PolarHBondContact O-OG1 3.48Å
139C83.9Confident75.4Confident0 Ų035.6 Ų35.60%016%0.164CC..Hα-helixtrans-57.5-38.7175.3-60.40000112.6G14 F135 L136 T142 P143 W741G14-C139 PolarHBondContact O-SG 2.77Å; G14-C139 VanDerWaalsContact O-SG 3.4Å; F135-C139 PolarHBondContact O-N 2.82Å; L136-C139 WeakPolarHBondContact O-CB 3.3Å; L136-C139 PolarHBondContact O-N 3.39Å; L136-C139 VanDerWaalsContact O-N 3.13Å; C139-T142 WeakPolarHBondContact O-CB 3.4Å; C139-T142 PolarHBondContact O-N 2.89Å; C139-T142 PolarHBondContact O-OG1 3.42Å; C139-P143 WeakPolarHBondContact O-CD 3.36Å; C139-W741 HydrophobicContact CB-CB 4.28Å; C139-W741 HydrophobicContact CB-CD2 3.54Å; C139-W741 HydrophobicContact CB-CE3 3.69Å; C139-W741 HydrophobicContact CB-CG 3.81Å; C139-W741 HydrophobicContact CB-CZ2 4.42Å; C139-W741 HydrophobicContact CB-CZ3 4.22Å
140V84.6Confident74.4Confident10 Ų1038.4 Ų38.46%0.06119%0.185CC..Hα-helixtrans-66.1-42.6175.1173.90000112.9L136 L137 G138 T142 P143 Y144 W741 L742 L745L136-V140 WeakPolarHBondContact O-CG2 3.12Å; L136-V140 PolarHBondContact O-N 2.9Å; L137-V140 PolarHBondContact O-N 3.41Å; G138-V140 VanDerWaalsContact C-N 3.28Å; G138-V140 PolarHBondContact O-N 3.47Å; V140-T142 VanDerWaalsContact C-N 3.28Å; V140-T142 PolarHBondContact O-N 3.4Å; V140-P143 VanDerWaalsContact O-CD 3.22Å; V140-P143 WeakPolarHBondContact O-CD 3.19Å; V140-Y144 WeakPolarHBondContact O-CD2 3.32Å; V140-W741 VanDerWaalsContact CG2-C 3.46Å; V140-W741 HydrophobicContact CG2-CB 3.77Å; V140-L742 HydrophobicContact CG1-CB 4.39Å; V140-L742 HydrophobicContact CG1-CD1 4.28Å; V140-L742 HydrophobicContact CG2-CB 4.2Å; V140-L745 HydrophobicContact CG2-CB 4.35Å; V140-L745 HydrophobicContact CG2-CD2 4.08Å
141F83.9Confident72.7Confident106 Ų10638.3 Ų38.347%0.46519%0.193SC..Hα-helixtrans-73.9-20.4179.2-78.3-56.9000113.7L15 L137 G138 Y144 L145L15-F141 HydrophobicContact CD2-CB 4.43Å; L137-F141 HydrophobicContact CD1-CD2 4.02Å; L137-F141 HydrophobicContact CD1-CE2 3.52Å; L137-F141 HydrophobicContact CD1-CZ 4.22Å; L137-F141 HydrophobicContact CD2-CE2 4.13Å; L137-F141 HydrophobicContact CG-CD2 3.88Å; L137-F141 HydrophobicContact CG-CE2 3.62Å; L137-F141 VanDerWaalsContact O-CD2 3.28Å; L137-F141 WeakPolarHBondContact O-CD2 3.28Å; L137-F141 PolarHBondContact O-N 2.73Å; G138-F141 PolarHBondContact O-N 3.19Å; F141-Y144 WeakPolarHBondContact O-CB 3.46Å; F141-Y144 PolarHBondContact O-N 3.23Å; F141-L145 PolarHBondContact O-N 2.77Å
142T77.9Confident71.1Confident0 Ų042.4 Ų42.40%022%0.215CC..Hα-helixtrans-54-47.6-174.3-52.40000114.4L15 L19 G138 C139 V140 Y144 L145L15-T142 WeakPolarHBondContact CA-OG1 3.36Å; L19-T142 HydrophobicContact CB-CG2 4.05Å; L19-T142 HydrophobicContact CD2-CG2 3.47Å; L19-T142 VanDerWaalsContact CD2-CG2 3.47Å; L19-T142 HydrophobicContact CG-CG2 3.45Å; L19-T142 VanDerWaalsContact CG-CG2 3.45Å; L19-T142 VanDerWaalsContact N-CG2 3.26Å; G138-T142 PolarHBondContact O-N 2.85Å; G138-T142 PolarHBondContact O-OG1 3.48Å; C139-T142 WeakPolarHBondContact O-CB 3.4Å; C139-T142 PolarHBondContact O-N 2.89Å; C139-T142 PolarHBondContact O-OG1 3.42Å; V140-T142 VanDerWaalsContact C-N 3.28Å; V140-T142 PolarHBondContact O-N 3.4Å; T142-Y144 VanDerWaalsContact C-N 3.27Å; T142-Y144 PolarHBondContact O-N 2.62Å; T142-L145 PolarHBondContact O-N 3.02Å
143P69.7Low69.5Low0 Ų046.6 Ų46.60%024%0.237CC..Hα-helixtrans-67.3-30.2-179-1834.9000111.4C139 V140 L145 L146 I734 T737C139-P143 WeakPolarHBondContact O-CD 3.36Å; V140-P143 VanDerWaalsContact O-CD 3.22Å; V140-P143 WeakPolarHBondContact O-CD 3.19Å; P143-L145 VanDerWaalsContact C-N 3.32Å; P143-L145 PolarHBondContact O-N 3.49Å; P143-L146 WeakPolarHBondContact O-CB 3.18Å; P143-L146 PolarHBondContact O-N 3.36Å; P143-I734 HydrophobicContact CB-CB 4.34Å; P143-I734 HydrophobicContact CB-CG2 3.46Å; P143-I734 VanDerWaalsContact CB-CG2 3.46Å; P143-I734 WeakPolarHBondContact CB-O 3.42Å; P143-I734 WeakPolarHBondContact O-CG2 3.14Å; P143-T737 HydrophobicContact CG-CG2 4.24Å
144Y75Confident67.3Low98 Ų9848.2 Ų48.238%0.38425%0.25SC..Hα-helixtrans-69.8-24.4176.9-62.5-81.2000113.7V140 F141 T142 L146 F147 S738V140-Y144 WeakPolarHBondContact O-CD2 3.32Å; F141-Y144 WeakPolarHBondContact O-CB 3.46Å; F141-Y144 PolarHBondContact O-N 3.23Å; T142-Y144 VanDerWaalsContact C-N 3.27Å; T142-Y144 PolarHBondContact O-N 2.62Å; Y144-L146 PolarHBondContact O-N 2.9Å; Y144-F147 AromaticContact CD1-CD2 3.96Å; Y144-F147 HydrophobicContact CD1-CD2 3.96Å; Y144-F147 HydrophobicContact CD1-CE2 4.37Å; Y144-F147 WeakPolarHBondContact O-CB 3.39Å; Y144-F147 PolarHBondContact O-N 3.45Å; Y144-S738 WeakPolarHBondContact CE2-OG 3.42Å; Y144-S738 PolarHBondContact OH-OG 3.31Å
145L74Confident65Low34 Ų3453.2 Ų53.218%0.17828%0.275CS..Hα-helixtrans-61.6-28.5174.1-63.4-170.4000112.3L15 F141 T142 P143 F147 I148 V520L15-L145 HydrophobicContact CD1-CD1 4.11Å; L15-L145 HydrophobicContact CD2-CD1 3.64Å; L15-L145 HydrophobicContact CD2-CG 4.28Å; L15-L145 HydrophobicContact CG-CD1 4.46Å; F141-L145 PolarHBondContact O-N 2.77Å; T142-L145 PolarHBondContact O-N 3.02Å; P143-L145 VanDerWaalsContact C-N 3.32Å; P143-L145 PolarHBondContact O-N 3.49Å; L145-F147 VanDerWaalsContact C-N 3.26Å; L145-F147 PolarHBondContact O-N 2.96Å; L145-I148 HydrophobicContact CB-CD1 4.47Å; L145-I148 HydrophobicContact CD2-CD1 3.68Å; L145-I148 PolarHBondContact O-N 2.9Å; L145-V520 HydrophobicContact CB-CG1 4.18Å; L145-V520 HydrophobicContact CB-CG2 4.41Å; L145-V520 HydrophobicContact CD1-CG1 4.45Å
146L67.6Low62.6Low14 Ų1456.4 Ų56.47%0.07330%0.298CS..THydrogen-bonded Turntrans-73.5-16.2175.2-63160.1000112.9P22 P143 Y144 V517 V520 I734P22-L146 HydrophobicContact CB-CD1 3.48Å; P22-L146 VanDerWaalsContact CB-CD1 3.48Å; P22-L146 HydrophobicContact CG-CD1 3.93Å; P143-L146 WeakPolarHBondContact O-CB 3.18Å; P143-L146 PolarHBondContact O-N 3.36Å; Y144-L146 PolarHBondContact O-N 2.9Å; L146-V517 HydrophobicContact CD2-CG2 4.06Å; L146-V520 HydrophobicContact CD2-CB 4.4Å; L146-V520 HydrophobicContact CD2-CG2 3.93Å; L146-V520 HydrophobicContact CG-CG2 4.49Å; L146-I734 HydrophobicContact CB-CD1 4.15Å; L146-I734 HydrophobicContact CD1-CD1 4.4Å
147F63.2Low60.2Low63 Ų6360.5 Ų60.528%0.27633%0.327SS..THydrogen-bonded Turntrans-87.6-0.4174.8-72.6-46.3000114.4Y144 L145 E149 P150 T731 I734 I735Y144-F147 AromaticContact CD1-CD2 3.96Å; Y144-F147 HydrophobicContact CD1-CD2 3.96Å; Y144-F147 HydrophobicContact CD1-CE2 4.37Å; Y144-F147 WeakPolarHBondContact O-CB 3.39Å; Y144-F147 PolarHBondContact O-N 3.45Å; L145-F147 VanDerWaalsContact C-N 3.26Å; L145-F147 PolarHBondContact O-N 2.96Å; F147-E149 VanDerWaalsContact C-N 3.35Å; F147-P150 WeakPolarHBondContact O-CD 3.39Å; F147-T731 HydrophobicContact CE1-CG2 3.69Å; F147-T731 HydrophobicContact CZ-CG2 3.61Å; F147-T731 WeakPolarHBondContact CZ-O 3.48Å; F147-I734 HydrophobicContact CD2-CG2 3.89Å; F147-I734 HydrophobicContact CE1-CB 4.47Å; F147-I734 HydrophobicContact CE1-CD1 4.12Å; F147-I734 HydrophobicContact CE1-CG2 4.22Å; F147-I734 HydrophobicContact CE2-CB 4.13Å; F147-I734 HydrophobicContact CE2-CG2 3.29Å; F147-I734 HydrophobicContact CZ-CB 3.82Å; F147-I734 HydrophobicContact CZ-CD1 4.33Å; F147-I734 HydrophobicContact CZ-CG2 3.48Å; F147-I734 VanDerWaalsContact CZ-CG2 3.48Å; F147-I735 HydrophobicContact CE2-CG1 4.34Å; F147-I735 HydrophobicContact CZ-CG1 4.4Å
148I59.3Low57.4Low80 Ų8064.2 Ų64.241%0.4135%0.346SS..SBendtrans-75.7-25.1-176.6-64.5173.3000111.8L145 L152L145-I148 HydrophobicContact CB-CD1 4.47Å; L145-I148 HydrophobicContact CD2-CD1 3.68Å; L145-I148 PolarHBondContact O-N 2.9Å; I148-L152 HydrophobicContact CG2-CD1 3.44Å; I148-L152 VanDerWaalsContact CG2-CD1 3.44Å
149E52.3Low54.7Low30 Ų3069.9 Ų69.914%0.1438%0.38CS..Hα-helixtrans-69.2-41.7-173.8-76.3-157.1121.900118F147 N151 L152 N153 S516 K519F147-E149 VanDerWaalsContact C-N 3.35Å; E149-N151 PolarHBondContact O-N 3.32Å; E149-L152 PolarHBondContact O-N 2.92Å; E149-N153 PolarHBondContact O-N 2.94Å; E149-S516 WeakPolarHBondContact OE2-CA 3.47Å; E149-S516 WeakPolarHBondContact OE2-CB 3.36Å; E149-S516 PolarHBondContact OE2-OG 3.31Å; E149-K519 VanDerWaalsContact OE1-CD 3.25Å; E149-K519 WeakPolarHBondContact OE1-CD 3.35Å; E149-K519 WeakPolarHBondContact OE1-CE 3.49Å; E149-K519 IonicContact OE1-NZ 2.6Å; E149-K519 PolarHBondContact OE1-NZ 3.25Å
150P48Very low52.1Low92 Ų9276.6 Ų76.660%0.59742%0.421SS*.Hα-helixtrans-57.2-24.9-175.2-27.536.3000114.2F147F147-P150 WeakPolarHBondContact O-CD 3.39Å
151N40.3Very low49.4Very low121 Ų12184.2 Ų84.265%0.64746%0.456SS*.Hα-helixtrans-99.9-10178.6-82.8-19.1000115.1E149 S154 I155E149-N151 PolarHBondContact O-N 3.32Å; N151-S154 WeakPolarHBondContact CA-OG 3.41Å; N151-S154 PolarHBondContact O-OG 3.05Å; N151-S154 VanDerWaalsContact O-OG 3.05Å; N151-I155 WeakPolarHBondContact O-CD1 3.37Å; N151-I155 VanDerWaalsContact O-CG1 3.32Å; N151-I155 WeakPolarHBondContact O-CG1 3.44Å
152L40.7Very low46.9Very low90 Ų9084.6 Ų84.647%0.47147%0.469SS..Hα-helixtrans-89.9-29.7174.2-93149.7000112.5I148 E149 S154 I155 T156I148-L152 HydrophobicContact CG2-CD1 3.44Å; I148-L152 VanDerWaalsContact CG2-CD1 3.44Å; E149-L152 PolarHBondContact O-N 2.92Å; L152-S154 VanDerWaalsContact C-N 3.29Å; L152-S154 PolarHBondContact O-N 3.45Å; L152-I155 PolarHBondContact O-N 3.24Å; L152-T156 PolarHBondContact O-N 3.37Å; L152-T156 PolarHBondContact O-OG1 2.92Å
153N37.7Very low44.5Very low94 Ų9490.2 Ų90.250%0.50351%0.508SS..Hα-helixtrans-68.6-27.3172.1-70.7-8.1000112.5E149 T156 S157E149-N153 PolarHBondContact O-N 2.94Å; N153-T156 WeakPolarHBondContact CA-OG1 3.45Å; N153-S157 PolarHBondContact O-N 3.34Å; N153-S157 PolarHBondContact O-OG 2.87Å
154S33.6Very low42.6Very low64 Ų6496.1 Ų96.145%0.44854%0.544SS..Hα-helixtrans-79.1-27.7174.354.40000113.4N151 L152 S157N151-S154 WeakPolarHBondContact CA-OG 3.41Å; N151-S154 PolarHBondContact O-OG 3.05Å; N151-S154 VanDerWaalsContact O-OG 3.05Å; L152-S154 VanDerWaalsContact C-N 3.29Å; L152-S154 PolarHBondContact O-N 3.45Å; S154-S157 PolarHBondContact O-OG 3.41Å
155I36.5Very low40.6Very low115 Ų115101.1 Ų101.159%0.5957%0.568SS**Hα-helixtrans-75.7-36.1172-66168.5000110.7N151 L152 L158N151-I155 WeakPolarHBondContact O-CD1 3.37Å; N151-I155 VanDerWaalsContact O-CG1 3.32Å; N151-I155 WeakPolarHBondContact O-CG1 3.44Å; L152-I155 PolarHBondContact O-N 3.24Å; I155-L158 WeakPolarHBondContact O-CB 3.41Å; I155-L158 PolarHBondContact O-N 3.46Å
156T34.4Very low38.4Very low105 Ų105107 Ų10764%0.64460%0.599SS**Hα-helixtrans-83.1-7.3179.747.60000114.9L152 N153 L158L152-T156 PolarHBondContact O-N 3.37Å; L152-T156 PolarHBondContact O-OG1 2.92Å; N153-T156 WeakPolarHBondContact CA-OG1 3.45Å; T156-L158 PolarHBondContact O-N 3.25Å
157S31.4Very low36.8Very low94 Ų94113.6 Ų113.666%0.65763%0.634SS**THydrogen-bonded Turntrans-74.60.3164.449.80000114.2N153 S154 V159N153-S157 PolarHBondContact O-N 3.34Å; N153-S157 PolarHBondContact O-OG 2.87Å; S154-S157 PolarHBondContact O-OG 3.41Å; S157-V159 PolarHBondContact O-N 3.17Å
158L27.8Very low35.3Very low139 Ų139118.9 Ų118.973%0.72866%0.66SS**SBendtrans-93.398.5-177.2-163.470.4000112.3I155 T156I155-L158 WeakPolarHBondContact O-CB 3.41Å; I155-L158 PolarHBondContact O-N 3.46Å; T156-L158 PolarHBondContact O-N 3.25Å
159V27.5Very low34Very low118 Ų118120 Ų12072%0.71567%0.673SS**  trans58.383.3160.1-167.30000116.4S157S157-V159 PolarHBondContact O-N 3.17Å
160V28.5Very low32.9Very low141 Ų141127 Ų12786%0.85571%0.705SS**  trans-127.987.7146.6-176.40000108.7P162V160-P162 WeakPolarHBondContact O-CD 3.28Å
161H27.3Very low32.3Very low171 Ų171131.7 Ų131.779%0.79272%0.719SS**  trans-75.4119.6168.8-107.6-66.8000109.2S163H161-S163 PolarHBondContact O-N 3.02Å
162P31.5Very low31.6Very low114 Ų114130.6 Ų130.674%0.7472%0.72SS**  trans-69.4115.1166.128.6-32000108.7V160 T164V160-P162 WeakPolarHBondContact O-CD 3.28Å; P162-T164 PolarHBondContact O-N 2.9Å
163S27.3Very low31.2Very low117 Ų117138.3 Ų138.382%0.81874%0.743SS**  trans-81.1107-170.144.90000113.2H161H161-S163 PolarHBondContact O-N 3.02Å
164T31.1Very low30.9Very low124 Ų124140.6 Ų140.676%0.76176%0.755SS**  trans-144.7117.9164.951.40000112.5P162P162-T164 PolarHBondContact O-N 2.9Å
165K33.2Very low30.6Very low203 Ų203145.7 Ų145.788%0.88377%0.772SS**  trans59.290.4162.6-54.1-177.8-177.7-176.30115
166L27.5Very low30.3Very low158 Ų158147.8 Ų147.883%0.82778%0.784SS**  65.783.972.6-163.798.5000113.5
167N33.9Very low29.9Very low152 Ų152152.7 Ų152.781%0.81380%0.797SS**  -170.4156.5121.6-93.1-2.2000111.9
168E31.7Very low29.8Very low174 Ų174155.7 Ų155.781%0.81380%0.804SS**  trans-75.1-179.9-170.6-79.7-177106.300116.7
169P33Very low29.8Very low105 Ų105153.6 Ų153.668%0.68280%0.801SS**  cis-132.6165.5-18.922.6-0.2000116
170Q28.1Very low29.6Very low176 Ų176155 Ų15582%0.82281%0.805SS**  trans9131.2144.2-51.8178.46.200120.8
171H34.6Very low29.6Very low191 Ų191156.8 Ų156.888%0.88481%0.807SS**  -147.5139116.4-130.8-62.6000111.7
172S27.1Very low29.6Very low97 Ų97153 Ų15368%0.67880%0.8SS**  trans-96.4153.4-175.153.10000113.6
173R32.6Very low29.4Very low252 Ų252154.8 Ų154.895%0.95180%0.804SS**  trans-150.1146.5146.3-140.1170-177.5119.80.9110.9
174N30.9Very low29.5Very low143 Ų143156 Ų15677%0.76581%0.806SS**  trans-87.1163.6-157.5-65.7-14.3000114.8
175H27.1Very low29.3Very low171 Ų171156.8 Ų156.879%0.79281%0.805SS**  trans-50.7155.1165.4-55.2-94.8000113.1
176N30.9Very low29Very low158 Ų158153 Ų15385%0.84580%0.802SS**  -153.7136.4125.2-104.2-22.5000111.4
177F24.4Very low29Very low209 Ų209152.1 Ų152.192%0.91780%0.796SS**  trans-95.2112.4175.7-127.5-96.6000107.6
178I30.2Very low28.6Very low156 Ų156153.8 Ų153.880%0.880%0.796SS**  trans-133.6138.7167.7-63.2-174.8000108.7
179S26.7Very low28.3Very low95 Ų95154.8 Ų154.866%0.66480%0.798SS**  trans-80.3164.9-176.448.80000113.3
180N24.2Very low28Very low149 Ų149155.3 Ų155.380%0.79780%0.799SS**  trans52.1109.9161.9-65-12.5000118.2
181I29.6Very low27.9Very low177 Ų177155.5 Ų155.591%0.90880%0.8SS**  trans-155.4142.8132.4-103.9147.3000109
182S26.4Very low27.6Very low93 Ų93151.6 Ų151.665%0.6579%0.794SS**  trans-90.1170.5178.147.60000112.1
183N26.2Very low27.6Very low151 Ų151151.6 Ų151.681%0.80779%0.794SS**  trans67.996.5171.3-55.3-16.8000116.9
184V29.2Very low27.3Very low143 Ų143144.5 Ų144.587%0.86778%0.783SS**  trans-132.6132.6150.5-176.80000108.5
185N27.4Very low27.3Very low140 Ų140144.2 Ų144.275%0.74979%0.787SS**  trans-76.2146.7-177.2-69.6-33.8000112.3I187N185-I187 PolarHBondContact O-N 3.4Å
186P28.4Very low27.3Very low124 Ų124139.4 Ų139.481%0.80578%0.783SS**  trans-72.3109.6171.429.8-33.2000110.7K188P186-K188 PolarHBondContact O-N 2.95Å
187I27.2Very low27.3Very low138 Ų138139.8 Ų139.871%0.70878%0.784SS**PPolyproline II helixtrans-71.8116.8174.5-64.2174.4000109.2N185 F189N185-I187 PolarHBondContact O-N 3.4Å; I187-F189 HydrophobicContact CG2-CD2 4Å; I187-F189 HydrophobicContact CG2-CE2 3.93Å
188K24.3Very low27.5Very low187 Ų187133.8 Ų133.881%0.81377%0.767SS**PPolyproline II helixtrans-70.4124.8161.9-71.1-178.5177.2-179.90108.7P186P186-K188 PolarHBondContact O-N 2.95Å
189F25.7Very low27.5Very low196 Ų196135.2 Ų135.286%0.8677%0.768SS**PPolyproline II helixtrans-92.3131.1158.1-94.6-86.9000109.5I187I187-F189 HydrophobicContact CG2-CD2 4Å; I187-F189 HydrophobicContact CG2-CE2 3.93Å
190V27.6Very low27.6Very low116 Ų116137.7 Ų137.770%0.70377%0.773SS**  trans-115119179.41770000109.1
191E24.8Very low28.1Very low180 Ų180138.2 Ų138.284%0.84178%0.776SS**  trans7.7131.1146.9-172.2164.8-134.500120.1
192S28.3Very low27.9Very low109 Ų109138.8 Ų138.876%0.76277%0.772SS**  trans-156.2126.9158-69.70000111.7
193S27.9Very low27.9Very low96 Ų96141.5 Ų141.567%0.67178%0.778SS**  trans3.6123.4153.451.80000118.8
194S25.9Very low27.9Very low103 Ų103139 Ų13972%0.7277%0.772SS**  57.9130.272.781.80000114
195T30.6Very low28.1Very low138 Ų138138.1 Ų138.185%0.84777%0.769SS**  cis-149.7175.836.245.50000114.4
196G27.8Very low28.2Very low69 Ų69137.4 Ų137.471%0.71177%0.77SS**  trans-61.9-177.9-173.400000118.1
197I29.8Very low28.2Very low167 Ų167139.6 Ų139.686%0.85677%0.773SS**  -174157.857.6-104164000108.8
198S29.7Very low28.3Very low82 Ų82144.5 Ų144.557%0.57378%0.783SS**  cis-172.2169.4-25.271.30000109.7
199K29.5Very low28.5Very low187 Ų187143.9 Ų143.981%0.81379%0.785SS**  trans71.1130.9174.5-58.6168.8-177.6174.60114.3
200N29.7Very low28.8Very low146 Ų146140.6 Ų140.678%0.78178%0.783SS**  cis-156.1177.441-111.9-16.8000113.9
201N33.3Very low28.9Very low160 Ų160146.4 Ų146.486%0.85679%0.792SS**  trans73.1162168.5-65.6-3.8000118.2
202K26.2Very low29.2Very low190 Ų190145.8 Ų145.883%0.82679%0.789SS**  trans-155.8156.4-141.6-145.3-173.9-176-177.20111.4
203I27.4Very low29.3Very low149 Ų149147.1 Ų147.176%0.76479%0.787SS**  trans84.1120.5162.6-56.2160.7000117.8
204S25.7Very low29.2Very low98 Ų98149 Ų14969%0.68579%0.794SS**  trans-32.7156.2167.1-41.10000121.4
205P34Very low29.5Very low125 Ų125149.6 Ų149.681%0.81279%0.793SS**  trans-106.4110131.933.3-24.3000109.8
206V29.2Very low29.5Very low126 Ų126148 Ų14876%0.76479%0.788SS**  67.9103.581177.90000113.2
207I27.5Very low29.7Very low170 Ų170150.9 Ų150.987%0.87279%0.792SS**PPolyproline II helixtrans-73.4134.5169.8-62.4165.5000108.5
208R28.4Very low29.9Very low241 Ų241148.8 Ų148.891%0.90979%0.789SS**PPolyproline II helixtrans-101.6124.6-174.5-148.5173.6-161.1167.16.8112.4
209M30.2Very low30.1Very low174 Ų174150 Ų15086%0.85780%0.795SS**PPolyproline II helixtrans-70.5156.2178.4-71.1179.1168.600113.4
210P31Very low30.1Very low126 Ų126148.5 Ų148.582%0.81880%0.795SS**PPolyproline II helixtrans-69.6147.3167.630.6-35000112.1
211R30Very low30.2Very low238 Ų238146.7 Ų146.790%0.89879%0.785SS**PPolyproline II helixtrans-62.7147.9179.3-98.6173.9163.4151.1-7.7113.3
212Q30.2Very low30.1Very low167 Ų167146.8 Ų146.878%0.7878%0.781SS**  trans-129137.7148.6-98-171.2-43.400111.2
213I31.8Very low30.3Very low137 Ų137141.9 Ų141.970%0.70377%0.77SS**  trans51.5108.3149.2-53.2173.1000117.6V215I213-V215 HydrophobicContact CG2-CG2 3.92Å
214T25.3Very low30.5Very low135 Ų135141 Ų14183%0.82877%0.767SS**  trans-92.5132.8163-48.80000109.9
215V31.7Very low30.7Very low116 Ų116144.5 Ų144.570%0.70377%0.77SS**  trans-138.8125.6166.2178.50000110I213I213-V215 HydrophobicContact CG2-CG2 3.92Å
216S32Very low30.6Very low105 Ų105144.4 Ų144.473%0.73476%0.763SS**  trans38.7119.8166.5620000121.4
217T30.3Very low30.5Very low129 Ų129144.7 Ų144.779%0.79176%0.759SS**  trans-65.4162.1152.544.70000111.8
218P34.4Very low30.7Very low123 Ų123144.5 Ų144.580%0.79976%0.755SS**  -132.2160.983.321.3-1.2000114.8
219P34.8Very low30.8Very low108 Ų108138.1 Ų138.170%0.70174%0.743SS**  trans-99.3170.1176.639.6-34.8000113.3
220L29.2Very low30.7Very low155 Ų155136.2 Ų136.281%0.81274%0.741SS**  -179.7153.5127.3-94.1158.7000113.6
221N31.5Very low30.9Very low109 Ų109135.8 Ų135.858%0.58374%0.738SS**  trans61.1113.2156.8-73.230.7000124.6
222E31.9Very low30.9Very low162 Ų162133.8 Ų133.876%0.75774%0.739SS**  61.6133.7116.1-64.6169.8166.200120.1
223S30.1Very low30.7Very low86 Ų86131.8 Ų131.860%0.60174%0.739SS**  cis169.3173.9753.30000108.2
224N31.1Very low30.4Very low130 Ų130131.6 Ų131.670%0.69574%0.744SS**  trans89.9121.2142.4-71.1-14.3000123.7
225F31Very low30.5Very low173 Ų173132.7 Ų132.776%0.75974%0.742SS**  trans74.1152.3142.5-77-125.7000118.7
226D30.4Very low30.3Very low123 Ų123133.3 Ų133.366%0.65874%0.741SS**  cis-178.8167.8-29-112.729.3000107.2
227L28.2Very low30.3Very low131 Ų131134.4 Ų134.469%0.68674%0.737SS**  cis-164.2-165.9-33.9-149.8121.8000106.7
228Q31.2Very low30.3Very low166 Ų166134.1 Ų134.178%0.77673%0.731SS**  trans68150.3155.2-84.7174.27.100119.1
229T31.1Very low30.3Very low107 Ų107135 Ų13566%0.65672%0.724SS**  cis-163.9135.2-26.65.40000113
230T27.4Very low30.1Very low134 Ų134136.4 Ų136.482%0.82272%0.721SS**  trans51.9165.9141.740.90000123.7
231P35.1Very low30Very low117 Ų117135.9 Ų135.976%0.7671%0.712SS**  trans-122.8-174.5-159.845.4-33.9000115.3
232Q29.8Very low29.9Very low196 Ų196137.6 Ų137.692%0.91672%0.72SS**  trans-155.8165.1149-118.4167.815.900114.8
233T25.6Very low29.7Very low126 Ų126133.7 Ų133.777%0.77371%0.71SS**  trans-89.3169.7-174.746.60000113.9
234T26.8Very low29.6Very low132 Ų132134.3 Ų134.381%0.8171%0.711SS**  -174.3169.6116.1-69.70000110.5
235M26.1Very low29.5Very low159 Ų159134.7 Ų134.778%0.78371%0.713SS**  trans-76.1-173.9-172.1-56.6-175.2-74.200112.4
236D27.5Very low29.3Very low129 Ų129134 Ų13469%0.6971%0.712SS**  cis-170.8-178.329.3-154.7-3.5000114.7
237I33.3Very low29.5Very low127 Ų127133.4 Ų133.465%0.65172%0.715SS**  trans84.196.5155.3-64.3157.5000118.5
238N29.8Very low29.7Very low124 Ų124134.6 Ų134.666%0.66372%0.716SS**  57.9157.1123.9-54.8-26.8000121
239H34Very low29.4Very low142 Ų142133 Ų13366%0.65771%0.713SS**  cis-152.114318.8-120.3-48.3000112.1
240H30.4Very low29.2Very low137 Ų137134.1 Ų134.163%0.63472%0.715SS**  trans50.7145.7130.3-85.514.8000122.4
241K28.3Very low29.2Very low144 Ų144133.8 Ų133.863%0.62671%0.707SS**  cis-175.3152.4-7.9-138.3-178.9-1751540110.2
242I29.2Very low28.7Very low145 Ų145135.2 Ų135.274%0.74471%0.707SS**  trans63.7145139.4-88.9178.7000119
243S27.6Very low28.7Very low80 Ų80133.8 Ų133.856%0.55970%0.704SS**  cis-175.4164.2-11-161.20000114
244T27.4Very low28.7Very low99 Ų99135.3 Ų135.361%0.60771%0.707SS**  trans56.6127.6140.343.40000123.1
245D29.9Very low28.9Very low138 Ų138133.9 Ų133.974%0.73870%0.7SS**  76.2149.4126.2-59.6-5.2000121.2
246Q26.7Very low28.7Very low158 Ų158133.5 Ų133.574%0.73870%0.701SS**  cis-162145.6-23.5-175.9170.914.200107.7
247P35.3Very low28.7Very low110 Ų110137.1 Ų137.171%0.71471%0.711SS**  trans-95.7149.6-168.336-35.2000114.8
248H30.4Very low28.3Very low157 Ų157137 Ų13773%0.72772%0.716SS**  trans-153.8132.7165.9-88.3-54.3000114.5
249N26.4Very low28.2Very low132 Ų132138.5 Ų138.571%0.70672%0.723SS**  trans56.4148130.4-64.1-0.4000121.7
250L25.4Very low27.7Very low131 Ų131137.4 Ų137.469%0.68673%0.727SS**  cis-169175.3-19.3-157.769.3000108.4
251N27.5Very low27.6Very low126 Ų126138.2 Ų138.267%0.67474%0.736SS**  trans71.4115.7167.2-54.5-28.9000115.9
252I25.8Very low27.3Very low148 Ų148140 Ų14076%0.75975%0.747SS**  64.3111.755-51.9164.6000112.3
253I28.7Very low27.3Very low165 Ų165140.9 Ų140.985%0.84675%0.751SS**  -169.4124.2127.8-95.9152.8000111.6
254L25.6Very low27.1Very low159 Ų159143.5 Ų143.583%0.83276%0.759SS**  trans17.6139.3150.8-146.165.3000122.8
255P31Very low27.2Very low101 Ų101146.2 Ų146.266%0.65677%0.768SS**  trans-94.8148.6174.637.6-34.1000114.5
256N23.5Very low27Very low152 Ų152145.1 Ų145.181%0.81376%0.762SS**  trans158.7134.3143.7-89.4-21000109.6
257F27.2Very low27Very low204 Ų204144.9 Ų144.990%0.89576%0.761SS**  trans-170.4133.1133.1-117.6-76.3000111.5
258T24.5Very low26.6Very low124 Ų124145.4 Ų145.476%0.76176%0.762SS**  trans-89.3139.2165.546.80000110
259L27.6Very low26.4Very low156 Ų156143.6 Ų143.682%0.81776%0.764SS**  trans-148.6135.8151.3-145.977.7000112.3
260T22.6Very low26.5Very low119 Ų119146.3 Ų146.373%0.7377%0.772SS**  trans-74.6154.2164.145.40000110.8
261N28.6Very low26.5Very low155 Ų155147.4 Ų147.483%0.82978%0.779SS**  trans-155.5128.8142.4-99.7-21.7000109.9
262E22.2Very low26.6Very low181 Ų181148.9 Ų148.985%0.84679%0.785SS**  trans-78.8162.1162.8-58.7172.811700109.5
263I28.5Very low26.5Very low164 Ų164147.6 Ų147.684%0.84179%0.785SS**  trans-163.4141.6144.3-104.7150.7000108.8
264N23.4Very low26.4Very low135 Ų135145.8 Ų145.872%0.72278%0.781SS**  trans-64.7170.2174.7-86.7-44.4000111
265I30.4Very low26.5Very low156 Ų156144.8 Ų144.880%0.878%0.777SS**  -168.5148.175.3-78.8153.2000110.5
266N24.9Very low26.1Very low115 Ų115145.5 Ų145.562%0.61578%0.784SS**  trans-33.7170.6163.9-42.26.5000115.5
267E26.8Very low26.2Very low152 Ų152143.6 Ų143.671%0.7178%0.782SS**  cis-165.6-168.220.6-148.4151.9-10000112.4
268T27.2Very low26.2Very low122 Ų122138.8 Ų138.875%0.74877%0.774SS**  trans65.9109.8165.862.30000119.9
269P26.1Very low26.3Very low118 Ų118136.9 Ų136.977%0.76677%0.771SS**  trans-95153168.436.9-32.4000112.5
270H29.9Very low26.2Very low189 Ų189136.8 Ų136.888%0.87577%0.769SS**  trans-132.6125.2163-103.1-80.8000112
271N25Very low26.4Very low154 Ų154136.9 Ų136.982%0.82477%0.765SS**  trans-71.8129.5179.7-70.9-43.2000111.6
272I28.2Very low26.3Very low157 Ų157136 Ų13681%0.80575%0.753SS**  trans-127.8114.6154.5-62.1-176.6000108V274I272-V274 PolarHBondContact O-N 3.09Å
273T25Very low26.5Very low122 Ų122133.1 Ų133.175%0.74875%0.75SS**  trans-71.4109.2-172.8-52.70000111.6
274V26.9Very low26.8Very low127 Ų127130.8 Ų130.877%0.7774%0.744SS**  trans-86114.7170-179.20000109.3I272 S276I272-V274 PolarHBondContact O-N 3.09Å; V274-S276 PolarHBondContact O-N 3.26Å; V274-S276 VanDerWaalsContact O-N 3.11Å
275N26.2Very low27.5Very low138 Ų138129.9 Ų129.974%0.73874%0.743SS**  trans-62.4111.7176.3-78.7-30.7000110.8S277N275-S277 VanDerWaalsContact C-N 3.28Å; N275-S277 PolarHBondContact O-N 2.92Å
276S23.7Very low27.8Very low116 Ų116132.6 Ų132.681%0.81175%0.749SS**  trans-7772.4-179.1380000112.2V274 S278V274-S276 PolarHBondContact O-N 3.26Å; V274-S276 VanDerWaalsContact O-N 3.11Å; S276-S278 VanDerWaalsContact C-N 3.34Å; S276-S278 PolarHBondContact O-N 3.15Å
277S26.4Very low28.7Very low111 Ų111136.3 Ų136.378%0.77676%0.76SS**  trans-68.490.816748.40000110.2N275 A279N275-S277 VanDerWaalsContact C-N 3.28Å; N275-S277 PolarHBondContact O-N 2.92Å; S277-A279 VanDerWaalsContact C-N 3.33Å; S277-A279 PolarHBondContact O-N 3.25Å
278S25.7Very low29.6Very low103 Ų103138.2 Ų138.272%0.7277%0.766SS**  trans-66.285.4179.744.20000111.9S276 I280S276-S278 VanDerWaalsContact C-N 3.34Å; S276-S278 PolarHBondContact O-N 3.15Å; S278-I280 VanDerWaalsContact C-N 3.31Å; S278-I280 PolarHBondContact O-N 3.15Å
279A26.3Very low30.5Very low84 Ų84137.7 Ų137.769%0.69477%0.765SS**  trans-67.486.7171.400000110.4S277 I281S277-A279 VanDerWaalsContact C-N 3.33Å; S277-A279 PolarHBondContact O-N 3.25Å; A279-I281 PolarHBondContact O-N 3.46Å
280I26.4Very low32.2Very low154 Ų154135.2 Ų135.279%0.7975%0.75SS**  trans-66.592.1178.1-61.6168.6000109.5S278 K282S278-I280 VanDerWaalsContact C-N 3.31Å; S278-I280 PolarHBondContact O-N 3.15Å; I280-K282 PolarHBondContact O-N 3.24Å
281I27.4Very low33.6Very low122 Ų122132.2 Ų132.263%0.62675%0.745SS**  trans-82.796.9174.9-61.3-179.7000109.4A279A279-I281 PolarHBondContact O-N 3.46Å
282K26.3Very low35.1Very low135 Ų135130.5 Ų130.559%0.58774%0.736SS**  trans54.3118.4147.8-54.5173.2-177.3169.60116.2I280 T284I280-K282 PolarHBondContact O-N 3.24Å; K282-T284 HydrophobicContact CB-CG2 4.3Å; K282-T284 HydrophobicContact CD-CG2 3.99Å; K282-T284 HydrophobicContact CG-CG2 3.92Å
283P25.9Very low36.5Very low122 Ų122127.5 Ų127.579%0.79272%0.721SS**  -101.3117.895.525.8-34.5000110.8T285P283-T285 PolarHBondContact O-N 3.21Å
284T34.2Very low37.8Very low114 Ų114123.7 Ų123.770%0.69970%0.702SS**  trans-71.996.9166.6460000108.7K282 K286K282-T284 HydrophobicContact CB-CG2 4.3Å; K282-T284 HydrophobicContact CD-CG2 3.99Å; K282-T284 HydrophobicContact CG-CG2 3.92Å; T284-K286 PolarHBondContact O-N 3.17Å
285T38.8Very low39.4Very low117 Ų117126.1 Ų126.172%0.71870%0.703SS**  trans-50.7138.2163.545.50000109.2P283 K287P283-T285 PolarHBondContact O-N 3.21Å; T285-K287 VanDerWaalsContact C-N 3.3Å; T285-K287 PolarHBondContact O-N 2.87Å
286K36.8Very low41.1Very low213 Ų213127.5 Ų127.593%0.92670%0.704SS**  trans-66.487.7179.4-72.8-176.4177.4-179.90109.9T284T284-K286 PolarHBondContact O-N 3.17Å
287K43.7Very low43Very low193 Ų193128 Ų12884%0.83970%0.697SS**PPolyproline II helixtrans-57.4139.2161.4-71.5-171.6175.5-175.70107.9T285T285-K287 VanDerWaalsContact C-N 3.3Å; T285-K287 PolarHBondContact O-N 2.87Å
288K44.7Very low45Very low191 Ų191128 Ų12883%0.8369%0.688SS**PPolyproline II helixtrans-54.9147.2161.7-72.8-177.4175.6-178.60108.2S290K288-S290 PolarHBondContact O-N 2.6Å
289P47.2Very low47.1Very low112 Ų112131 Ų13173%0.72769%0.691SS**PPolyproline II helixtrans-53.3138.7170.324.6-33.9000109.4
290S61.8Low49.6Very low65 Ų65131 Ų13146%0.45568%0.679SS.*PPolyproline II helixtrans-75.7151.2-179.3-174.50000109.9K288 N292 D293K288-S290 PolarHBondContact O-N 2.6Å; S290-N292 PolarHBondContact O-N 3.25Å; S290-N292 VanDerWaalsContact O-N 3.13Å; S290-N292 PolarHBondContact OG-N 3.05Å; S290-D293 WeakPolarHBondContact CB-OD2 3.28Å; S290-D293 PolarHBondContact N-OD2 2.83Å; S290-D293 WeakPolarHBondContact O-CB 3.47Å; S290-D293 PolarHBondContact O-N 2.94Å
291V59.3Low51.8Low127 Ų127128.1 Ų128.177%0.7767%0.673SS**Hα-helixtrans-59.3-24.4169.7-176.60000110.7D293 A294V291-D293 VanDerWaalsContact C-N 3.34Å; V291-D293 PolarHBondContact O-N 3.06Å; V291-A294 WeakPolarHBondContact O-CB 3.19Å; V291-A294 PolarHBondContact O-N 3.23Å
292N56.8Low54.1Low117 Ų117123.9 Ų123.963%0.62665%0.654SS**Hα-helixtrans-69-26.7172.9-71.310.1000113.7S290 A294 K295S290-N292 PolarHBondContact O-N 3.25Å; S290-N292 VanDerWaalsContact O-N 3.13Å; S290-N292 PolarHBondContact OG-N 3.05Å; N292-A294 VanDerWaalsContact C-N 3.28Å; N292-A294 PolarHBondContact O-N 3.32Å; N292-K295 WeakPolarHBondContact O-CB 3.34Å; N292-K295 PolarHBondContact O-N 3.45Å
293D56.4Low56.4Low94 Ų94119.8 Ų119.850%0.50364%0.642SS.*Hα-helixtrans-68.4-32.9176.2-61.6-48.3000110.6S290 V291 K295 H296S290-D293 WeakPolarHBondContact CB-OD2 3.28Å; S290-D293 PolarHBondContact N-OD2 2.83Å; S290-D293 WeakPolarHBondContact O-CB 3.47Å; S290-D293 PolarHBondContact O-N 2.94Å; V291-D293 VanDerWaalsContact C-N 3.34Å; V291-D293 PolarHBondContact O-N 3.06Å; D293-K295 PolarHBondContact O-N 3.04Å; D293-H296 PolarHBondContact O-N 2.86Å
294A54.1Low58.7Low43 Ų43118.2 Ų118.236%0.35564%0.64SS.*Hα-helixtrans-64.7-21.4173.900000113.3V291 N292 H296 L297V291-A294 WeakPolarHBondContact O-CB 3.19Å; V291-A294 PolarHBondContact O-N 3.23Å; N292-A294 VanDerWaalsContact C-N 3.28Å; N292-A294 PolarHBondContact O-N 3.32Å; A294-H296 PolarHBondContact O-N 3.21Å; A294-L297 PolarHBondContact O-N 3.29Å
295K58.7Low60.9Low178 Ų178117.9 Ų117.977%0.77463%0.634SS**THydrogen-bonded Turntrans-75.5-6.4177.6-152.2176.1-176.4179.40113.6N292 D293N292-K295 WeakPolarHBondContact O-CB 3.34Å; N292-K295 PolarHBondContact O-N 3.45Å; D293-K295 PolarHBondContact O-N 3.04Å
296H63.5Low62.6Low167 Ų167113.8 Ų113.877%0.77362%0.615SS**THydrogen-bonded Turntrans-114.97.3175.7-66.5-68.8000113.5D293 A294D293-H296 PolarHBondContact O-N 2.86Å; A294-H296 PolarHBondContact O-N 3.21Å
297L61.9Low64.8Low125 Ų125106 Ų10665%0.65459%0.587SS**SBendtrans-88.1127.3168.8-85.9160000109.6A294 Q299A294-L297 PolarHBondContact O-N 3.29Å; L297-Q299 PolarHBondContact O-N 3.11Å; L297-Q299 VanDerWaalsContact O-N 3.12Å
298N68.3Low66.3Low112 Ų112100.6 Ų100.660%0.59956%0.564SS**  trans-66.9110.1171.6-75.1-10.6000109.3D300 S303N298-D300 VanDerWaalsContact C-N 3.32Å; N298-S303 WeakPolarHBondContact O-CB 3.44Å
299Q71.5Confident67.8Low165 Ų16594.6 Ų94.677%0.77155%0.55SS**  trans-88.73.8179.7-66.7-173.4-2000113.6L297L297-Q299 PolarHBondContact O-N 3.11Å; L297-Q299 VanDerWaalsContact O-N 3.12Å
300D77.4Confident69.1Low84 Ų8492.2 Ų92.245%0.44954%0.54SS..  trans-50.5140.1172.7-49.70.6000111N298 S302 S303 A304 K308N298-D300 VanDerWaalsContact C-N 3.32Å; D300-S302 PolarHBondContact O-N 3.36Å; D300-S302 VanDerWaalsContact O-N 3.16Å; D300-S303 WeakPolarHBondContact O-CA 3.25Å; D300-S303 WeakPolarHBondContact O-CB 3.44Å; D300-S303 PolarHBondContact O-N 2.85Å; D300-A304 PolarHBondContact O-N 2.86Å; D300-K308 IonicContact OD2-NZ 2.6Å; D300-K308 PolarHBondContact OD2-NZ 3Å
301S74Confident69.9Low94 Ų9493 Ų9366%0.65755%0.545SS*.Hα-helixtrans-49.5-43.8174.449.90000112.3S303 A304 D305S301-S303 PolarHBondContact O-N 3.14Å; S301-S303 VanDerWaalsContact O-N 3.12Å; S301-A304 PolarHBondContact O-N 2.98Å; S301-D305 PolarHBondContact O-N 3.49Å
302S75Confident71Confident34 Ų3494 Ų9424%0.23854%0.539CS..Hα-helixtrans-64.3-10.9177.357.60000115.8D300 D305 S307 K308D300-S302 PolarHBondContact O-N 3.36Å; D300-S302 VanDerWaalsContact O-N 3.16Å; S302-D305 VanDerWaalsContact C-OD1 3.25Å; S302-D305 WeakPolarHBondContact CA-OD1 3.27Å; S302-S307 VanDerWaalsContact CA-OG 3.28Å; S302-S307 WeakPolarHBondContact CA-OG 3.48Å; S302-S307 WeakPolarHBondContact CB-OG 3.5Å; S302-S307 PolarHBondContact O-OG 3.27Å; S302-K308 VanDerWaalsContact O-CB 3.29Å; S302-K308 WeakPolarHBondContact O-CB 3.44Å; S302-K308 WeakPolarHBondContact O-CG 3.47Å; S302-K308 PolarHBondContact O-N 3.38Å; S302-K308 WeakPolarHBondContact OG-CE 3.39Å; S302-K308 PolarHBondContact OG-NZ 2.88Å
303S74.7Confident71.9Confident48 Ų4894.9 Ų94.934%0.33654%0.541SS..Hα-helixtrans-98.7-26.3170.2-86.90000112.3N298 D300 S301 K308N298-S303 WeakPolarHBondContact O-CB 3.44Å; D300-S303 WeakPolarHBondContact O-CA 3.25Å; D300-S303 WeakPolarHBondContact O-CB 3.44Å; D300-S303 PolarHBondContact O-N 2.85Å; S301-S303 PolarHBondContact O-N 3.14Å; S301-S303 VanDerWaalsContact O-N 3.12Å; S303-K308 WeakPolarHBondContact OG-CD 3.37Å; S303-K308 PolarHBondContact OG-NZ 2.9Å
304A74.1Confident73.3Confident90 Ų9096.7 Ų96.774%0.74455%0.545SS*.Hα-helixtrans-84.5-33.3177.700000113.3D300 S301 G306D300-A304 PolarHBondContact O-N 2.86Å; S301-A304 PolarHBondContact O-N 2.98Å; A304-G306 VanDerWaalsContact C-N 3.3Å
305D79.5Confident74.6Confident107 Ų107100.4 Ų100.457%0.57255%0.553SS**SBendtrans-81.4-5.8176.867.48.2000113.9S301 S302 S307S301-D305 PolarHBondContact O-N 3.49Å; S302-D305 VanDerWaalsContact C-OD1 3.25Å; S302-D305 WeakPolarHBondContact CA-OD1 3.27Å; D305-S307 VanDerWaalsContact C-N 3.27Å; D305-S307 PolarHBondContact O-N 3.43Å; D305-S307 WeakPolarHBondContact OD1-CB 3.38Å; D305-S307 PolarHBondContact OD1-N 2.99Å; D305-S307 PolarHBondContact OD1-OG 3.33Å; D305-S307 PolarHBondContact OD2-OG 3.41Å
306G75.6Confident75.4Confident31 Ų3196.1 Ų96.132%0.3254%0.538SS..SBendtrans76.20.7-176.900000115.5A304 K308 A309 A310A304-G306 VanDerWaalsContact C-N 3.3Å; G306-K308 PolarHBondContact O-N 3.01Å; G306-A309 WeakPolarHBondContact O-CA 3.26Å; G306-A309 WeakPolarHBondContact O-CB 3.4Å; G306-A309 PolarHBondContact O-N 3.38Å; G306-A310 PolarHBondContact O-N 2.94Å
307S82.2Confident75.9Confident49 Ų4991.4 Ų91.434%0.34352%0.521SS..Hα-helixtrans-61.4-37.2-176620000113.3S302 D305 A309 A310 S311S302-S307 VanDerWaalsContact CA-OG 3.28Å; S302-S307 WeakPolarHBondContact CA-OG 3.48Å; S302-S307 WeakPolarHBondContact CB-OG 3.5Å; S302-S307 PolarHBondContact O-OG 3.27Å; D305-S307 VanDerWaalsContact C-N 3.27Å; D305-S307 PolarHBondContact O-N 3.43Å; D305-S307 WeakPolarHBondContact OD1-CB 3.38Å; D305-S307 PolarHBondContact OD1-N 2.99Å; D305-S307 PolarHBondContact OD1-OG 3.33Å; D305-S307 PolarHBondContact OD2-OG 3.41Å; S307-A309 VanDerWaalsContact C-N 3.3Å; S307-A309 PolarHBondContact O-N 3.46Å; S307-A310 PolarHBondContact O-N 3.49Å; S307-S311 VanDerWaalsContact O-CB 3.25Å; S307-S311 WeakPolarHBondContact O-CB 3.5Å; S307-S311 PolarHBondContact O-N 3.25Å
308K75.7Confident76.6Confident79 Ų7989.6 Ų89.634%0.34351%0.509SS..Hα-helixtrans-62-34.6170-82.6167.9175.5155.50113D300 S302 S303 G306 K312D300-K308 IonicContact OD2-NZ 2.6Å; D300-K308 PolarHBondContact OD2-NZ 3Å; S302-K308 VanDerWaalsContact O-CB 3.29Å; S302-K308 WeakPolarHBondContact O-CB 3.44Å; S302-K308 WeakPolarHBondContact O-CG 3.47Å; S302-K308 PolarHBondContact O-N 3.38Å; S302-K308 WeakPolarHBondContact OG-CE 3.39Å; S302-K308 PolarHBondContact OG-NZ 2.88Å; S303-K308 WeakPolarHBondContact OG-CD 3.37Å; S303-K308 PolarHBondContact OG-NZ 2.9Å; G306-K308 PolarHBondContact O-N 3.01Å; K308-K312 WeakPolarHBondContact O-CB 3.42Å; K308-K312 PolarHBondContact O-N 3.02Å; K308-K312 VanDerWaalsContact O-N 3.09Å
309A75.2Confident76.8Confident66 Ų6688 Ų8855%0.54550%0.498SS..Hα-helixtrans-73.2-44.5176.700000111G306 S307 K312 M313G306-A309 WeakPolarHBondContact O-CA 3.26Å; G306-A309 WeakPolarHBondContact O-CB 3.4Å; G306-A309 PolarHBondContact O-N 3.38Å; S307-A309 VanDerWaalsContact C-N 3.3Å; S307-A309 PolarHBondContact O-N 3.46Å; A309-K312 PolarHBondContact O-N 2.97Å; A309-M313 WeakPolarHBondContact O-CB 3.25Å; A309-M313 PolarHBondContact O-N 3.1Å
310A75.9Confident76.4Confident62 Ų6289 Ų8951%0.51250%0.495SS..Hα-helixtrans-60.6-44.917500000112.1G306 S307 M313 K314G306-A310 PolarHBondContact O-N 2.94Å; S307-A310 PolarHBondContact O-N 3.49Å; A310-M313 PolarHBondContact O-N 3.4Å; A310-K314 WeakPolarHBondContact O-CB 3.47Å; A310-K314 PolarHBondContact O-N 2.95Å
311S78.5Confident75.6Confident81 Ų8190.8 Ų90.857%0.56650%0.5SS*.Hα-helixtrans-60.8-45175.3179.20000112.1S307 M313 K314 K315S307-S311 VanDerWaalsContact O-CB 3.25Å; S307-S311 WeakPolarHBondContact O-CB 3.5Å; S307-S311 PolarHBondContact O-N 3.25Å; S311-M313 PolarHBondContact O-N 3.32Å; S311-K314 PolarHBondContact O-N 2.98Å; S311-K315 PolarHBondContact O-N 3.2Å
312K81.7Confident75Confident148 Ų14891.4 Ų91.464%0.64350%0.495SS*.Hα-helixtrans-65.6-37.3176.4-169.7172.3-177177.70112.6K308 A309 K315 L316K308-K312 WeakPolarHBondContact O-CB 3.42Å; K308-K312 PolarHBondContact O-N 3.02Å; K308-K312 VanDerWaalsContact O-N 3.09Å; A309-K312 PolarHBondContact O-N 2.97Å; K312-K315 PolarHBondContact O-N 3.39Å; K312-L316 HydrophobicContact CG-CD1 4.4Å; K312-L316 WeakPolarHBondContact O-CB 3.36Å; K312-L316 WeakPolarHBondContact O-CG 3.35Å; K312-L316 PolarHBondContact O-N 3.46Å
313M75Confident74Confident135 Ų13596.8 Ų96.867%0.66552%0.517SS*.Hα-helixtrans-69.5-37.2175.5-176.7171.516800112A309 A310 S311 T317A309-M313 WeakPolarHBondContact O-CB 3.25Å; A309-M313 PolarHBondContact O-N 3.1Å; A310-M313 PolarHBondContact O-N 3.4Å; S311-M313 PolarHBondContact O-N 3.32Å; M313-T317 PolarHBondContact O-N 3.14Å; M313-T317 VanDerWaalsContact O-N 3.09Å; M313-T317 PolarHBondContact O-OG1 3.38Å
314K86.2Confident72.8Confident132 Ų132102.9 Ų102.957%0.57454%0.537SS*.Hα-helixtrans-62-49.4170.8178.4173.6168.8176.20111A310 S311 L316 T317 E318A310-K314 WeakPolarHBondContact O-CB 3.47Å; A310-K314 PolarHBondContact O-N 2.95Å; S311-K314 PolarHBondContact O-N 2.98Å; K314-L316 PolarHBondContact O-N 2.96Å; K314-T317 CarbonylContact O-C 3.57Å; K314-T317 WeakPolarHBondContact O-CA 3.36Å; K314-T317 VanDerWaalsContact O-CB 3.29Å; K314-T317 WeakPolarHBondContact O-CB 3.4Å; K314-T317 PolarHBondContact O-N 2.99Å; K314-E318 WeakPolarHBondContact CE-OE1 3.33Å; K314-E318 HydrophobicContact CG-CG 4.48Å; K314-E318 IonicContact NZ-OE1 2.71Å; K314-E318 PolarHBondContact O-N 2.85Å
315K82.5Confident71.7Confident121 Ų121105.6 Ų105.653%0.52654%0.539SS..Hα-helixtrans-59.4-42.8178.2-166.8173.5-169.1-74.90112.5S311 K312 T317 E318 E319S311-K315 PolarHBondContact O-N 3.2Å; K312-K315 PolarHBondContact O-N 3.39Å; K315-T317 PolarHBondContact O-N 3.04Å; K315-E318 PolarHBondContact O-N 3.33Å; K315-E319 IonicContact NZ-OE1 3.53Å; K315-E319 PolarHBondContact NZ-OE1 3.21Å; K315-E319 WeakPolarHBondContact O-CB 3.47Å; K315-E319 VanDerWaalsContact O-CG 3.29Å; K315-E319 WeakPolarHBondContact O-CG 3.39Å; K315-E319 PolarHBondContact O-N 2.75Å
316L74.9Confident70.2Confident89 Ų89107.1 Ų107.147%0.46655%0.546SS..Hα-helixtrans-64.8-21.7173.1-75.9166000113.7K312 K314 R320K312-L316 HydrophobicContact CG-CD1 4.4Å; K312-L316 WeakPolarHBondContact O-CB 3.36Å; K312-L316 WeakPolarHBondContact O-CG 3.35Å; K312-L316 PolarHBondContact O-N 3.46Å; K314-L316 PolarHBondContact O-N 2.96Å; L316-R320 WeakPolarHBondContact O-CD 3.45Å; L316-R320 VanDerWaalsContact O-CG 3.31Å; L316-R320 WeakPolarHBondContact O-CG 3.33Å; L316-R320 PolarHBondContact O-N 3.37Å
317T74.9Confident68.5Low68 Ų68113 Ų11342%0.41757%0.571SS.*Hα-helixtrans-82.4-38.2174.4-54.60000111.1M313 K314 K315 R320 Q321M313-T317 PolarHBondContact O-N 3.14Å; M313-T317 VanDerWaalsContact O-N 3.09Å; M313-T317 PolarHBondContact O-OG1 3.38Å; K314-T317 CarbonylContact O-C 3.57Å; K314-T317 WeakPolarHBondContact O-CA 3.36Å; K314-T317 VanDerWaalsContact O-CB 3.29Å; K314-T317 WeakPolarHBondContact O-CB 3.4Å; K314-T317 PolarHBondContact O-N 2.99Å; K315-T317 PolarHBondContact O-N 3.04Å; T317-R320 PolarHBondContact O-N 2.87Å; T317-Q321 WeakPolarHBondContact O-CG 3.32Å; T317-Q321 PolarHBondContact O-N 2.89Å
318E75.6Confident66.4Low87 Ų87117 Ų11741%0.40759%0.588SS.*Hα-helixtrans-69.1-43.1175.1-68.6167.5157.600111.4K314 K315 R320 Q321 I322K314-E318 WeakPolarHBondContact CE-OE1 3.33Å; K314-E318 HydrophobicContact CG-CG 4.48Å; K314-E318 IonicContact NZ-OE1 2.71Å; K314-E318 PolarHBondContact O-N 2.85Å; K315-E318 PolarHBondContact O-N 3.33Å; E318-R320 VanDerWaalsContact C-N 3.3Å; E318-R320 PolarHBondContact O-N 2.83Å; E318-Q321 WeakPolarHBondContact O-CB 3.5Å; E318-Q321 PolarHBondContact O-N 3.03Å; E318-I322 WeakPolarHBondContact O-CG1 3.49Å; E318-I322 PolarHBondContact O-N 3Å
319E72.9Confident64.4Low79 Ų79119.2 Ų119.237%0.36961%0.611SS.*Hα-helixtrans-56.2-43.3173-74.7166.1173.700111.3K315 Q321 I322 E323K315-E319 IonicContact NZ-OE1 3.53Å; K315-E319 PolarHBondContact NZ-OE1 3.21Å; K315-E319 WeakPolarHBondContact O-CB 3.47Å; K315-E319 VanDerWaalsContact O-CG 3.29Å; K315-E319 WeakPolarHBondContact O-CG 3.39Å; K315-E319 PolarHBondContact O-N 2.75Å; E319-Q321 VanDerWaalsContact C-N 3.25Å; E319-Q321 PolarHBondContact O-N 3.17Å; E319-I322 PolarHBondContact O-N 3.38Å; E319-E323 WeakPolarHBondContact O-CB 3.3Å; E319-E323 PolarHBondContact O-N 3.4Å
320R62.1Low62.6Low184 Ų184120.5 Ų120.569%0.69462%0.616SS**Hα-helixtrans-70.6-10.9174.3-77.8177.8172.6-171.2-1.6115.4L316 T317 E318L316-R320 WeakPolarHBondContact O-CD 3.45Å; L316-R320 VanDerWaalsContact O-CG 3.31Å; L316-R320 WeakPolarHBondContact O-CG 3.33Å; L316-R320 PolarHBondContact O-N 3.37Å; T317-R320 PolarHBondContact O-N 2.87Å; E318-R320 VanDerWaalsContact C-N 3.3Å; E318-R320 PolarHBondContact O-N 2.83Å
321Q62Low60.6Low122 Ų122123 Ų12357%0.5763%0.625SS**Hα-helixtrans-90.6-36.4171.1-73.1177.117.200110.9T317 E318 E319 K324 L325T317-Q321 WeakPolarHBondContact O-CG 3.32Å; T317-Q321 PolarHBondContact O-N 2.89Å; E318-Q321 WeakPolarHBondContact O-CB 3.5Å; E318-Q321 PolarHBondContact O-N 3.03Å; E319-Q321 VanDerWaalsContact C-N 3.25Å; E319-Q321 PolarHBondContact O-N 3.17Å; Q321-K324 WeakPolarHBondContact O-CB 3.49Å; Q321-K324 PolarHBondContact O-N 3Å; Q321-L325 WeakPolarHBondContact O-CD1 3.43Å
322I60.9Low58.8Low107 Ų107126.8 Ų126.855%0.54963%0.633SS.*Hα-helixtrans-69-46.1175-61.2165000110.5E318 E319 K324 L325E318-I322 WeakPolarHBondContact O-CG1 3.49Å; E318-I322 PolarHBondContact O-N 3Å; E319-I322 PolarHBondContact O-N 3.38Å; I322-K324 PolarHBondContact O-N 3.33Å; I322-L325 PolarHBondContact O-N 3.43Å
323E53Low56.5Low147 Ų147128.7 Ų128.769%0.68764%0.641SS**THydrogen-bonded Turntrans-59.6-8.1173.1-167.4175.7-135.400113.1E319E319-E323 WeakPolarHBondContact O-CB 3.3Å; E319-E323 PolarHBondContact O-N 3.4Å
324K51.3Low54.5Low177 Ų177127.7 Ų127.777%0.7765%0.645SS**THydrogen-bonded Turntrans-102.5-0.1175.2-111.3-174.9176.5-172.10115.1Q321 I322Q321-K324 WeakPolarHBondContact O-CB 3.49Å; Q321-K324 PolarHBondContact O-N 3Å; I322-K324 PolarHBondContact O-N 3.33Å
325L49.4Very low52Low147 Ų147128.9 Ų128.977%0.7766%0.657SS**THydrogen-bonded Turntrans-109.2-23.8175.8-95.388.1000114.1Q321 I322 D327Q321-L325 WeakPolarHBondContact O-CD1 3.43Å; I322-L325 PolarHBondContact O-N 3.43Å; L325-D327 VanDerWaalsContact C-N 3.27Å; L325-D327 PolarHBondContact O-N 3.37Å
326D48.5Very low49.7Very low138 Ų138129 Ų12974%0.73867%0.668SS**SBendtrans-80.90.6-176.7-74.7-38.1000114.5
327D39.7Very low47.7Very low155 Ų155129.4 Ų129.483%0.82968%0.678SS**SBendtrans-104.331.7-165-132.614.8000114.5L325L325-D327 VanDerWaalsContact C-N 3.27Å; L325-D327 PolarHBondContact O-N 3.37Å
328D37.7Very low45.8Very low133 Ų133132.3 Ų132.371%0.71170%0.696SS**  trans-150.1107.3164.7-163-5.7000114.5
329P33.7Very low43.9Very low125 Ų125133.9 Ų133.981%0.81271%0.711SS**  trans-10468.7-175.638.9-34.2000115
330S37.9Very low42Very low94 Ų94137.4 Ų137.466%0.65773%0.732SS**  trans-159.8116.3154.650.10000117.2
331T34.6Very low40.6Very low114 Ų114133.1 Ų133.170%0.69973%0.728SS**  trans2.9133.614239.60000118.6
332H39.7Very low39.4Very low160 Ų160134.6 Ų134.674%0.74174%0.74SS**  cis-173.5156.746-110.2-42.4000115.1
333K34.1Very low38.3Very low188 Ų188138.3 Ų138.382%0.81776%0.755SS**  trans75.6121.6150-72.3178.1178.1-178.50121.6
334P33.3Very low37.2Very low115 Ų115138.8 Ų138.875%0.74776%0.762SS**  trans-105.2-160.9167.341.4-33.6000113.4
335L33.9Very low36.3Very low157 Ų157140.6 Ų140.682%0.82276%0.764SS**  trans89.7138.8-167.3-76.474.8000112.5
336T34.4Very low35.6Very low124 Ų124139.8 Ų139.876%0.76176%0.76SS**  cis-159.2178.25.230000108.5
337S33Very low34.6Very low96 Ų96140.4 Ų140.467%0.67176%0.762SS**  cis-168.3-168.30.136.80000109.1
338V34.9Very low34.2Very low130 Ų130138.7 Ų138.779%0.78876%0.757SS**  trans79.4128.5160.3-173.60000117.5
339V35.5Very low33.7Very low120 Ų120138.6 Ų138.673%0.72776%0.761SS**  cis-164136-25.1118.80000108.8
340N33Very low33.5Very low152 Ų152141.2 Ų141.281%0.81376%0.763SS**  -174143.9122.5-123.7-5.5000111.6
341P33.2Very low32.9Very low94 Ų94144 Ų14461%0.6177%0.77SS**  trans-110.6-170.2-172.942.7-34.9000114.6
342N34.9Very low32.7Very low153 Ų153148.2 Ų148.282%0.81878%0.782SS**  trans78.7128.5-177.9-48.3-17.8000112.8
343E38.2Very low32.1Very low186 Ų186145.4 Ų145.487%0.86978%0.78SS**  cis-133.8136-2.1-55.2173.8115.500106.5
344L29.8Very low31.8Very low157 Ų157143 Ų14382%0.82278%0.781SS**  cis67.283.749.3-161.191.7000115.7
345R33.9Very low31.3Very low215 Ų215143.7 Ų143.781%0.81178%0.784SS**  -171.2124.1122.7-105.8170.1-178-157.4-0.3115.4
346N33.6Very low31.1Very low130 Ų130141.5 Ų141.570%0.69578%0.777SS**  trans60.7129145.9-54.4-5.7000119.9
347L28.2Very low30.6Very low151 Ų151143.2 Ų143.279%0.79178%0.78SS**  cis96.6151.836.9-85.6158.3000114.4
348V31.3Very low30.4Very low119 Ų119143.8 Ų143.872%0.72178%0.78SS**  trans74.399.7174.2-164.90000112.4
349V26.9Very low30Very low130 Ų130144 Ų14479%0.78878%0.776SS**  64.412364.2-179.90000112.8
350Q29.4Very low29.6Very low181 Ų181146.9 Ų146.985%0.84678%0.784SS**  168.4148.2123.1-171.4153.8-8.300111.5
351N25.1Very low29.2Very low151 Ų151147.5 Ų147.581%0.80779%0.786SS**  trans-73.7148.6-178.9-49.7-47.9000112.3
352Q31.2Very low28.9Very low203 Ų203151 Ų15195%0.94980%0.797SS**  -158.3160.7127.5-113.5166.516.300112.8
353S25.7Very low28.5Very low102 Ų102149.5 Ų149.571%0.71379%0.788SS**  trans-118.7142.2-161.5540000113
354T27.7Very low28Very low136 Ų136147.8 Ų147.883%0.83478%0.784SS**  trans-143.4127.2148-36.10000110.9
355T24.4Very low28Very low130 Ų130145.7 Ų145.780%0.79878%0.777SS**  trans-98.8134171.6-26.50000108.9
356T27.9Very low27.6Very low112 Ų112142.4 Ų142.469%0.68778%0.776SS**  trans-140.195.1170.6-35.50000111.9T358T356-T358 WeakPolarHBondContact CG2-OG1 3.38Å
357I24.4Very low27.5Very low160 Ų160144.1 Ų144.182%0.82178%0.784SS**  trans-86.5122.5156.1-62.1170.1000106
358T28.5Very low27.4Very low108 Ų108144.2 Ų144.266%0.66379%0.786SS**  trans-150.4133.7164.3-36.80000111.7T356T356-T358 WeakPolarHBondContact CG2-OG1 3.38Å
359N27.2Very low27.3Very low133 Ų133143.5 Ų143.571%0.71179%0.786SS**  trans-68.3148.3169.3-45.1-60.3000109.7
360M27.2Very low27.3Very low181 Ų181143.2 Ų143.289%0.89279%0.785SS**  -171131.2105.8-104.4173.9-83.600114.6
361L24.4Very low27.4Very low166 Ų166144 Ų14487%0.86979%0.785SS**  trans-46.1126.9157.3168.473.3000112.6
362M26.9Very low27.6Very low168 Ų168144.6 Ų144.683%0.82878%0.783SS**  trans-178.9145.5148.5-88.1-118.6-166.800108.6
363N27.1Very low27.6Very low120 Ų120140 Ų14064%0.64277%0.774SS**  cis-145.6151.9-7.1-157.23.3000110.9
364I26.6Very low27.8Very low150 Ų150140.9 Ų140.977%0.76977%0.77SS**  trans-87.7125.1163.3-68.6160.9000107.2
365T31Very low28Very low113 Ų113141.6 Ų141.669%0.69377%0.769SS**  trans-143.7107.1166.31.40000111.6
366N25.6Very low28.1Very low147 Ų147142.3 Ų142.379%0.78677%0.768SS**  trans-59.3147.2155.4-66-51.2000109.2
367L30.7Very low28.2Very low165 Ų165143.5 Ų143.586%0.86477%0.771SS**  trans-156.6115.3148.1-113159.8000111.1
368N26.2Very low28.3Very low153 Ų153141.4 Ų141.482%0.81877%0.765SS**  trans-72.8143.8169.2-65-52.5000110.1
369S29.2Very low28.3Very low105 Ų105142.9 Ų142.973%0.73477%0.767SS**  trans-173.898.7136.237.70000114
370T26.6Very low28.3Very low124 Ų124140.8 Ų140.876%0.76176%0.763SS**  trans27.2117.9132.155.30000120.7
371K32.6Very low28.3Very low196 Ų196140.5 Ų140.585%0.85276%0.757SS**  -165.7112.5115.3-99.5156.5-175.6177.90108.3
372Q28.1Very low28.5Very low164 Ų164139.5 Ų139.577%0.76675%0.751SS**  cis9192.849-173-1751000113.2
373S32Very low28.4Very low108 Ų108136.8 Ų136.876%0.75575%0.749SS**  trans-172.2106.2144-176.30000106.5
374N30.1Very low28.7Very low119 Ų119136.2 Ų136.264%0.63675%0.752SS**  62.4119.578.2-68.329.6000110.8
375N31.8Very low28.7Very low151 Ų151136.5 Ų136.581%0.80776%0.755SS**  cis-140.3165.725-78.8-37.6000114.9
376N25.6Very low28.7Very low145 Ų145136.2 Ų136.278%0.77576%0.757SS**  trans-82.7147.3158.9-55.6-42.8000110
377D31.3Very low28.9Very low138 Ų138134 Ų13474%0.73875%0.754SS**  -171.4138.7111.3-94.6-36.8000109.4
378T25.2Very low28.7Very low116 Ų116134.3 Ų134.371%0.71275%0.748SS**  67.2151.456.3-21.20000113.7
379I28.7Very low28.8Very low138 Ų138132.5 Ų132.571%0.70875%0.747SS**  trans82.669.3171.8-45.8173.9000117
380S26.9Very low28.7Very low89 Ų89134.3 Ų134.362%0.62274%0.744SS**  62.6163.2112.484.20000124.4
381K27.1Very low28.7Very low175 Ų175137 Ų13776%0.76175%0.753SS**  trans89.3130.6144-81.9172.2-177176.10121.4
382I28.3Very low28.2Very low145 Ų145131.7 Ų131.774%0.74474%0.74SS**  trans71.8102.2140.7-66.4168.2000114.8
383S25.5Very low28.1Very low111 Ų111132.8 Ų132.878%0.77675%0.75SS**  99.5157.366.6-90.20000111.9
384P34.6Very low27.7Very low109 Ų109134.9 Ų134.971%0.70875%0.748SS**  trans-109-175.2-150.141.9-36000113.2
385N26.2Very low27.6Very low156 Ų156136.1 Ų136.183%0.83475%0.754SS**  trans-166.1173.4136.5-105-28.4000113.7
386S31.1Very low27.4Very low106 Ų106133.9 Ų133.974%0.74174%0.742SS**  trans67.8121.2177.461.10000116.9
387S28.6Very low27.5Very low102 Ų102133.6 Ų133.671%0.71374%0.74SS**  cis89.8139.33080.70000113.9
388F26.3Very low27.3Very low171 Ų171133.2 Ų133.275%0.7574%0.743SS**  cis-168.7143.6-9.2-135.8-100.1000107.9H390F388-H390 AromaticContact CE1-CD2 3.54Å
389S30.2Very low27.5Very low114 Ų114131.9 Ų131.980%0.79774%0.738SS**  trans161.282.7158.257.80000109.4
390H27.1Very low27.4Very low143 Ų143131.9 Ų131.966%0.66274%0.744SS**  49.298.877.9-107.1-84.7000115.4F388F388-H390 AromaticContact CE1-CD2 3.54Å
391L24.9Very low27.4Very low181 Ų181131.4 Ų131.495%0.94875%0.754SS**  trans-139.2129.1135.8-166.974.1000107.3
392S23.4Very low27.5Very low84 Ų84132.2 Ų132.259%0.58776%0.758SS**  trans-143125.1-170.1520000110.4
393L24.6Very low27.7Very low187 Ų187130.7 Ų130.798%0.97976%0.757SS**  trans-109.1143163.9-81.5165.8000108.9
394H24.6Very low27.8Very low152 Ų152132.7 Ų132.770%0.70475%0.754SS**  trans-136.9-173.6-168.5-173.5-97000109N396H394-N396 PolarHBondContact CE1-OD1 3.22Å
395L28.3Very low27.6Very low146 Ų146134.2 Ų134.276%0.76476%0.757SS**  trans87.8137176.7-68.993.9000116.6
396N26.9Very low27.7Very low104 Ų104131.3 Ų131.356%0.55675%0.748SS**  cis-169.2173.1-26.1-122.29.3000111.7H394H394-N396 PolarHBondContact CE1-OD1 3.22Å
397N27.5Very low27.6Very low139 Ų139133 Ų13374%0.74375%0.754SS**  trans72.1145.6163.1-60-6000115.7
398V28.5Very low27.3Very low130 Ų130135.2 Ų135.279%0.78876%0.757SS**  cis-165149.2-1.6119.70000106.5
399S27.8Very low27.4Very low88 Ų88134 Ų13462%0.61576%0.763SS**  cis-164.1161.7-10.7-166.70000112.2
400T26.6Very low27.2Very low137 Ų137137 Ų13784%0.8476%0.761SS**  trans28.1126.3147.851.30000123.1
401G28.2Very low27.2Very low80 Ų80137.2 Ų137.283%0.82577%0.767SS**  trans179.347.6165.700000117.8
402F27.8Very low27.4Very low191 Ų191135.9 Ų135.984%0.83876%0.756SS**  trans-97.9163.7175-92.9-77.3000110.9
403P33.5Very low27.5Very low113 Ų113141 Ų14173%0.73477%0.768SS**  cis-152.1163.445.842.3-20.5000121.7
404H28.1Very low27.8Very low153 Ų153137.7 Ų137.771%0.70876%0.761SS**  trans18.2129.6144.3-69.5-98.4000124.5
405N30.5Very low27.7Very low142 Ų142137.1 Ų137.176%0.75976%0.763SS**  178.8122.9108-92.8-17.8000110.6
406S27.3Very low27.5Very low95 Ų95138.2 Ų138.266%0.66476%0.764SS**  63.4134.388.184.50000114.3
407T28.1Very low27.3Very low140 Ų140140.1 Ų140.186%0.85977%0.772SS**  cis-148.9-174.130.841.20000114.1
408I23.2Very low27.1Very low150 Ų150142.6 Ų142.677%0.76978%0.777SS**  trans-110.7143.1-173.3-60.2159.1000111.7
409V28Very low27Very low144 Ų144142.7 Ų142.787%0.87377%0.772SS**  trans-138.3152.1153.3-177.50000109.6
410K25.4Very low27Very low177 Ų177145 Ų14577%0.7778%0.777SS**  trans-122.3149.8172.1-64.9176.7179.3175.30110
411D28.7Very low27.1Very low148 Ų148144.3 Ų144.379%0.79177%0.768SS**  trans167.8173.6140.5-94.3-8.6000109.6
412H27.8Very low27.3Very low153 Ų153146 Ų14671%0.70876%0.762SS**  -166.6134.8-52.6-142.1-37.5000106.3
413K25.9Very low27.3Very low191 Ų191143.3 Ų143.383%0.8376%0.757SS**  trans48.5116.8165.2-67174.2175.3177.70120
414S30.8Very low27.1Very low119 Ų119142.5 Ų142.583%0.83275%0.754SS**  trans-166.1163.8130.154.50000111.3
415N23.2Very low27.1Very low140 Ų140140.6 Ų140.675%0.74975%0.753SS**  trans-109.2150.6177.9-76.78.1000111.2
416E23.2Very low27.1Very low169 Ų169141.7 Ų141.779%0.7975%0.751SS**  trans68.1164.2147.3-72169.7-163.800121.3
417I23.1Very low27Very low143 Ų143143.1 Ų143.173%0.73375%0.751SS**  trans83.390.3162.5-64.7153.9000119.2
418F24.2Very low27Very low191 Ų191144.3 Ų144.384%0.83875%0.751SS**  68.2158.8116.7-94.6-82.3000125.8
419I26.4Very low27.1Very low132 Ų132144.1 Ų144.168%0.67775%0.751SS**  trans110.7106.9145.9-80.4150.2000121
420N26.9Very low27.1Very low136 Ų136145 Ų14573%0.72775%0.749SS**  trans54.9165138.8-50.5-4.8000120.2
421N28.1Very low27Very low123 Ų123140.7 Ų140.766%0.65874%0.741SS**  cis-146.7170.911.2-145.43.3000108.7
422V32.1Very low26.9Very low116 Ų116140.6 Ų140.670%0.70374%0.741SS**  -162.7140.254.4169.20000111.3
423N27.7Very low26.7Very low134 Ų134137.3 Ų137.372%0.71774%0.74SS**  trans11.4153.7146.9-45.9-19.3000121.4
424S31.1Very low26.7Very low97 Ų97133.2 Ų133.268%0.67874%0.736SS**  cis-156.9147.418.7102.10000114.5
425T26.8Very low26.5Very low112 Ų112136.5 Ų136.569%0.68774%0.735SS**  trans19.3144.4132.5430000121.1
426K30.8Very low26.6Very low166 Ų166135.4 Ų135.472%0.72274%0.736SS**  cis-166.1165.523.6-123.7173.8177.2-171.10112.5
427D25.7Very low26.8Very low125 Ų125135 Ų13567%0.66874%0.737SS**  trans31.6133.7149.2-40.9-27.5000119.8
428I28.8Very low27Very low164 Ų164133.1 Ų133.184%0.84173%0.732SS**  -162.9147.271.1-84.8162.8000111.2
429D23.9Very low27.1Very low147 Ų147131 Ų13179%0.78673%0.73SS**  trans-75.1160.2171.9-68.6-71.5000114.7
430I27.7Very low27Very low162 Ų162132.2 Ų132.283%0.83174%0.738SS**  175.2147.4118.5-90.3158.5000111.9
431S24.5Very low26.9Very low86 Ų86133.8 Ų133.860%0.60174%0.738SS**  trans-68.9152.1177.550.60000113.2
432N25.5Very low26.7Very low147 Ų147134 Ų13479%0.78674%0.744SS**  -177.216480.3-94.2-62.5000114.8
433A25.1Very low26.3Very low84 Ų84134.7 Ų134.769%0.69474%0.742SS**  trans58.997.3146.300000121.1
434S24.8Very low26.1Very low105 Ų105135.2 Ų135.273%0.73474%0.744SS**  108.1141119.283.60000120.5
435K27.9Very low25.8Very low187 Ų187132.4 Ų132.481%0.81373%0.73SS**  trans71.8131.1170.7-61.7-180-178.9175.20116.9
436P24.1Very low25.8Very low118 Ų118134.1 Ų134.177%0.76673%0.734SS**  trans-77.3124.2176.831.5-32.8000110.4T438P436-T438 PolarHBondContact O-N 3.35Å; P436-T438 VanDerWaalsContact O-N 3.07Å
437I27.9Very low25.7Very low161 Ų161135.5 Ų135.583%0.82674%0.736SS**  trans-79.791.5170.3-59.8-179.4000108.2
438T26.4Very low25.7Very low102 Ų102135.8 Ų135.863%0.62674%0.737SS**  trans-61.3155.9156.448.40000109.8P436P436-T438 PolarHBondContact O-N 3.35Å; P436-T438 VanDerWaalsContact O-N 3.07Å
439N26.9Very low25.7Very low146 Ų146135.7 Ų135.778%0.78174%0.737SS**  trans93.553.5177.2-47-35.7000117.9K441N439-K441 VanDerWaalsContact C-N 3.26Å; N439-K441 PolarHBondContact O-N 2.75Å
440N25.3Very low26Very low158 Ų158133.7 Ų133.785%0.84573%0.73SS**  trans-6789.5151.9-85.411.7000109.6V442N440-V442 PolarHBondContact O-N 3.01Å
441K23.8Very low26Very low170 Ų170132.4 Ų132.474%0.73973%0.725SS**  trans-73.592.8179.4-176.4-173.8177.7-174.70110N439 I443N439-K441 VanDerWaalsContact C-N 3.26Å; N439-K441 PolarHBondContact O-N 2.75Å; K441-I443 HydrophobicContact CD-CG1 4.32Å; K441-I443 HydrophobicContact CG-CG1 4.2Å; K441-I443 PolarHBondContact O-N 3.18Å
442V24.4Very low26.1Very low128 Ų128137.5 Ų137.578%0.77674%0.739SS**  trans-64.4101.1172.8-179.40000109.6N440 L444N440-V442 PolarHBondContact O-N 3.01Å; V442-L444 PolarHBondContact O-N 3.03Å
443I24.2Very low26.2Very low130 Ų130136.1 Ų136.167%0.66774%0.736SS**  trans-82.792.2173.5-58.6-179.6000107.9K441 G445K441-I443 HydrophobicContact CD-CG1 4.32Å; K441-I443 HydrophobicContact CG-CG1 4.2Å; K441-I443 PolarHBondContact O-N 3.18Å; I443-G445 PolarHBondContact O-N 3.39Å
444L23.2Very low26.3Very low144 Ų144135.2 Ų135.275%0.75474%0.735SS**  trans-75.477.8174.7-168.273.4000110.3V442 I446V442-L444 PolarHBondContact O-N 3.03Å; L444-I446 HydrophobicContact CG-CG1 4.44Å; L444-I446 PolarHBondContact O-N 3.05Å
445G25Very low26.3Very low38 Ų38137 Ų13739%0.39274%0.735SS.*  trans-68.295.117600000111.9I443 Y447I443-G445 PolarHBondContact O-N 3.39Å; G445-Y447 VanDerWaalsContact C-N 3.31Å; G445-Y447 VanDerWaalsContact O-CD2 3.22Å; G445-Y447 WeakPolarHBondContact O-CD2 3.32Å; G445-Y447 PolarHBondContact O-N 3.1Å; G445-Y447 VanDerWaalsContact O-N 3.07Å
446I26.6Very low26.2Very low148 Ų148135.4 Ų135.476%0.75973%0.734SS**  trans-80.284169.4-55.3179.4000108.1L444 N448L444-I446 HydrophobicContact CG-CG1 4.44Å; L444-I446 PolarHBondContact O-N 3.05Å; I446-N448 PolarHBondContact O-N 3.4Å
447Y27.4Very low26.3Very low196 Ų196135 Ų13577%0.76973%0.729SS**  trans-74.1112172.8-63.8-82.5000109.7G445 I449G445-Y447 VanDerWaalsContact C-N 3.31Å; G445-Y447 VanDerWaalsContact O-CD2 3.22Å; G445-Y447 WeakPolarHBondContact O-CD2 3.32Å; G445-Y447 PolarHBondContact O-N 3.1Å; G445-Y447 VanDerWaalsContact O-N 3.07Å; Y447-I449 PolarHBondContact O-N 3.07Å
448N27.3Very low26.2Very low131 Ų131133.9 Ų133.970%0.70173%0.725SS**  trans-79.6107174.9-155.541.6000108.1I446 T450I446-N448 PolarHBondContact O-N 3.4Å; N448-T450 VanDerWaalsContact C-N 3.33Å; N448-T450 WeakPolarHBondContact ND2-CG2 3.41Å; N448-T450 PolarHBondContact O-N 3.49Å
449I28.7Very low26.3Very low162 Ų162136.2 Ų136.283%0.83173%0.734SS**  trans-75.289.1-179.2-56.2176.3000108.4Y447Y447-I449 PolarHBondContact O-N 3.07Å
450T28.7Very low26.4Very low105 Ų105135.1 Ų135.164%0.64474%0.738SS**  trans-135.340179.258.10000111.9N448N448-T450 VanDerWaalsContact C-N 3.33Å; N448-T450 WeakPolarHBondContact ND2-CG2 3.41Å; N448-T450 PolarHBondContact O-N 3.49Å
451D27.8Very low26.4Very low135 Ų135132.3 Ų132.372%0.72273%0.73SS**  trans-86.2149.6163.9-72-40.9000110.3V453D451-V453 PolarHBondContact O-N 2.99Å
452E26.9Very low26.6Very low192 Ų192130.5 Ų130.590%0.89773%0.734SS**  trans-73.6115.8-172.1-61.7-175.113800112.1G454E452-G454 VanDerWaalsContact C-N 3.33Å; E452-G454 PolarHBondContact O-N 3.29Å
453V28Very low26.5Very low119 Ų119132.1 Ų132.172%0.72173%0.733SS**  trans-75.687.4171.9-176.80000109.3D451 L455D451-V453 PolarHBondContact O-N 2.99Å; V453-L455 PolarHBondContact O-N 2.87Å; V453-L455 VanDerWaalsContact O-N 3.08Å
454G27.4Very low26.7Very low65 Ų65134.2 Ų134.267%0.6774%0.737SS**  trans-61.4104.8174.300000111.7E452 I456E452-G454 VanDerWaalsContact C-N 3.33Å; E452-G454 PolarHBondContact O-N 3.29Å; G454-I456 PolarHBondContact O-N 3.41Å
455L25.4Very low26.7Very low142 Ų142133.1 Ų133.174%0.74374%0.737SS**  trans-82.481.5-172.9-16283.6000112V453 T457V453-L455 PolarHBondContact O-N 2.87Å; V453-L455 VanDerWaalsContact O-N 3.08Å; L455-T457 HydrophobicContact CD2-CG2 3.72Å; L455-T457 HydrophobicContact CG-CG2 3.93Å; L455-T457 PolarHBondContact O-N 3.48Å; L455-T457 VanDerWaalsContact O-N 3.1Å
456I25.9Very low26.8Very low153 Ų153140.2 Ų140.279%0.78576%0.757SS**  trans-76.495.3171.8-56.9179.5000109.2G454 N458G454-I456 PolarHBondContact O-N 3.41Å; I456-N458 PolarHBondContact O-N 2.98Å
457T25.7Very low27Very low109 Ų109138.7 Ų138.767%0.66976%0.76SS**  trans-82.389.5178.553.20000111.8L455L455-T457 HydrophobicContact CD2-CG2 3.72Å; L455-T457 HydrophobicContact CG-CG2 3.93Å; L455-T457 PolarHBondContact O-N 3.48Å; L455-T457 VanDerWaalsContact O-N 3.1Å
458N25.9Very low27Very low138 Ų138138.8 Ų138.874%0.73876%0.764SS**  trans-99.6157.9160.3-82.4-12.4000110.8I456I456-N458 PolarHBondContact O-N 2.98Å
459N28.4Very low27.2Very low152 Ų152140.5 Ų140.581%0.81377%0.766SS**THydrogen-bonded Turntrans-65.8138.1-162.4-68.6-37.6000114.4S461N459-S461 PolarHBondContact O-N 3.34Å
460S28.3Very low27.3Very low123 Ų123138.3 Ų138.386%0.8676%0.762SS**THydrogen-bonded Turntrans6131.8157.153.60000119.4
461S25.9Very low27.3Very low98 Ų98139.1 Ų139.169%0.68577%0.772SS**  trans-174.1141.3138.849.20000113N459 Q463N459-S461 PolarHBondContact O-N 3.34Å; S461-Q463 PolarHBondContact O-N 3.46Å
462T27.4Very low27.3Very low132 Ų132139 Ų13981%0.8178%0.775SS**  trans-94.786.1174.353.50000110.9
463Q23.2Very low27.5Very low162 Ų162137.1 Ų137.176%0.75777%0.771SS**  trans-78.8134.8162.8-79.6-169.8-15.800110.4S461S461-Q463 PolarHBondContact O-N 3.46Å
464F27Very low27.5Very low174 Ų174140.3 Ų140.376%0.76378%0.778SS**  trans-94.297.2170.4-77.1-89.8000109.9
465T23.6Very low27.5Very low122 Ų122141.7 Ų141.775%0.74878%0.777SS**  trans-94111.9173.830.10000111S467T465-S467 PolarHBondContact O-N 2.96Å
466F28.5Very low27.7Very low187 Ų187142.2 Ų142.282%0.8278%0.781SS**  trans-74.5106.6174.2-76.2-88.6000111K468F466-K468 PolarHBondContact O-N 2.91Å
467S30.1Very low27.8Very low116 Ų116141.7 Ų141.781%0.81178%0.78SS**  trans-7781.5-179.659.10000113.1T465T465-S467 PolarHBondContact O-N 2.96Å
468K28.1Very low28Very low198 Ų198143.8 Ų143.886%0.86179%0.785SS**  trans49.581.5145.7-162.8177.5-174.7178.30116.9F466F466-K468 PolarHBondContact O-N 2.91Å
469F31.5Very low28Very low167 Ų167144.2 Ų144.273%0.73279%0.786SS**  trans-61.2151.3164.1-73.4-78.6000112.3
470P30.8Very low27.9Very low116 Ų116142.1 Ų142.175%0.75378%0.779SS**  trans-68.9142.8178.328.6-34.9000112.4V472P470-V472 PolarHBondContact O-N 3.2Å; P470-V472 VanDerWaalsContact O-N 3.09Å
471S27.3Very low27.9Very low121 Ų121142.4 Ų142.485%0.84678%0.775SS**SBendtrans-87.371.7-166.657.50000114.1
472V29.1Very low27.9Very low132 Ų132144.6 Ų144.680%0.878%0.777SS**  trans-138.282.9171.6-169.70000111.9P470P470-V472 PolarHBondContact O-N 3.2Å; P470-V472 VanDerWaalsContact O-N 3.09Å
473L29.9Very low27.8Very low154 Ų154144.6 Ų144.681%0.80677%0.772SS**  trans-165.6118.7154.3-109158.6000108.5
474Q28.2Very low28.1Very low185 Ų185141.7 Ų141.786%0.86477%0.77SS**  trans-94.6136.2-178.6-78.1176.7-60.700111.4
475S26.9Very low28.2Very low94 Ų94137.2 Ų137.266%0.65776%0.757SS**SBendtrans42.8122.2154.859.20000120.2
476N30.4Very low28.4Very low153 Ų153138.8 Ų138.882%0.81876%0.761SS**  trans94.6-1.1151.9-53.1-11.7000119.9
477D28.9Very low28.6Very low142 Ų142140.6 Ų140.676%0.75976%0.762SS**  trans-77.5123.9172.9-82.3-28.4000113.1I479D477-I479 PolarHBondContact O-N 2.98Å
478I27.8Very low28.6Very low154 Ų154144.3 Ų144.379%0.7976%0.764SS**  trans-85.4104.7-178.4-58.1176000110.3V480I478-V480 HydrophobicContact CG2-CG2 4.11Å; I478-V480 PolarHBondContact O-N 3.05Å
479I27.4Very low28.6Very low147 Ų147146.2 Ų146.275%0.75477%0.767SS**  trans-80.4101178.5-54177.2000110.7D477 V481D477-I479 PolarHBondContact O-N 2.98Å; I479-V481 HydrophobicContact CG2-CG2 4.02Å; I479-V481 PolarHBondContact O-N 3.46Å
480V25.7Very low28.5Very low108 Ų108146.8 Ų146.866%0.65577%0.772SS**  trans-88.896.6176.5-172.90000111.1I478 I482I478-V480 HydrophobicContact CG2-CG2 4.11Å; I478-V480 PolarHBondContact O-N 3.05Å; V480-I482 HydrophobicContact CG1-CD1 4.39Å; V480-I482 HydrophobicContact CG1-CG1 3.88Å; V480-I482 PolarHBondContact O-N 3.45Å
481V27.8Very low28.4Very low129 Ų129150.4 Ų150.478%0.78278%0.778SS**  trans-79.694.3177.2-175.40000111I479 N483I479-V481 HydrophobicContact CG2-CG2 4.02Å; I479-V481 PolarHBondContact O-N 3.46Å; V481-N483 PolarHBondContact O-N 3.23Å
482I27.5Very low28.5Very low143 Ų143152.5 Ų152.573%0.73377%0.774SS**  trans-84.7103.5177.8-54.6-177.1000110.8V480 S484V480-I482 HydrophobicContact CG1-CD1 4.39Å; V480-I482 HydrophobicContact CG1-CG1 3.88Å; V480-I482 PolarHBondContact O-N 3.45Å; I482-S484 PolarHBondContact O-N 3.49Å
483N24.8Very low28.4Very low132 Ų132153.5 Ų153.571%0.70676%0.764SS**  trans-68115.1175.1-169.8-13.6000111.2V481 T485V481-N483 PolarHBondContact O-N 3.23Å; N483-T485 VanDerWaalsContact C-N 3.3Å; N483-T485 PolarHBondContact O-N 3.04Å
484S29.2Very low28.4Very low102 Ų102151.7 Ų151.771%0.71375%0.754SS**  trans-84.544.9-157.757.80000116I482I482-S484 PolarHBondContact O-N 3.49Å
485T29.4Very low28.6Very low80 Ų80147 Ų14749%0.49175%0.746SS.*  trans-88.1-2.3-176.2550000115.9N483N483-T485 VanDerWaalsContact C-N 3.3Å; N483-T485 PolarHBondContact O-N 3.04Å
486N26.9Very low28.7Very low155 Ų155148.1 Ų148.183%0.82974%0.741SS**  trans-131.286.8177.9-87.1-41.1000112.4
487R33Very low28.8Very low225 Ų225148.8 Ų148.885%0.84974%0.739SS**  trans-103.2110.5163-88.9-172171-179.8-0.9110.7
488K29.2Very low28.7Very low193 Ų193145.4 Ų145.484%0.83973%0.726SS**  trans-69.2149.7162.2-76.9-179.3176.1177.90109.6H490K488-H490 PolarHBondContact O-N 3.22Å
489Y28Very low28.8Very low239 Ų239143.8 Ų143.894%0.93772%0.719SS**  trans-37.8109.9178.5-54.4-90.7000114.7
490H30.6Very low28.8Very low178 Ų178142.5 Ų142.582%0.82471%0.713SS**  trans-114.7145.9152.7-97.1-85.4000108.2K488 H492K488-H490 PolarHBondContact O-N 3.22Å; H490-H492 PolarHBondContact O-N 3.47Å
491H28.4Very low29.3Very low193 Ų193146 Ų14689%0.89472%0.72SS**  trans-60.1110.8175.4-72.2-96.9000109.7R493H491-R493 PolarHBondContact O-N 3.1Å
492H28.9Very low29.5Very low164 Ų164144.1 Ų144.176%0.75971%0.712SS**  trans-75.593176.5-126.4-62.8000108.9H490 I494H490-H492 PolarHBondContact O-N 3.47Å; H492-I494 PolarHBondContact O-N 3.2Å
493R27.5Very low29.8Very low154 Ų154144.8 Ų144.858%0.58171%0.712SS**  trans-50.2106.8175-166.7-176.4-162.5171.63.7109.5H491 A495 E496H491-R493 PolarHBondContact O-N 3.1Å; R493-A495 PolarHBondContact O-N 3.12Å; R493-E496 HydrophobicContact CG-CB 4.14Å; R493-E496 HydrophobicContact CG-CG 4.37Å; R493-E496 IonicContact CZ-OE2 3.13Å; R493-E496 IonicContact NE-OE2 2.76Å; R493-E496 PolarHBondContact NE-OE2 3.49Å; R493-E496 IonicContact NH2-OE2 2.67Å; R493-E496 PolarHBondContact NH2-OE2 2.98Å
494I30Very low30.1Very low116 Ų116148.1 Ų148.160%0.59572%0.715SS**  trans-79.9101179.7-59.7176.4000108H492 E496 L911H492-I494 PolarHBondContact O-N 3.2Å; I494-E496 PolarHBondContact O-N 2.81Å; I494-L911 VanDerWaalsContact CD1-O 3.28Å; I494-L911 WeakPolarHBondContact CD1-O 3.48Å
495A31.7Very low30.2Very low85 Ų85150.9 Ų150.970%0.70272%0.721SS**SBendtrans48.830.8162.200000117.2R493 H497R493-A495 PolarHBondContact O-N 3.12Å; A495-H497 PolarHBondContact O-N 3.46Å
496E28.8Very low30.5Very low119 Ų119154.3 Ų154.356%0.55674%0.736SS**  trans-57.4128.3150.8-80.2179.1-149.600107.5R493 I494 S498R493-E496 HydrophobicContact CG-CB 4.14Å; R493-E496 HydrophobicContact CG-CG 4.37Å; R493-E496 IonicContact CZ-OE2 3.13Å; R493-E496 IonicContact NE-OE2 2.76Å; R493-E496 PolarHBondContact NE-OE2 3.49Å; R493-E496 IonicContact NH2-OE2 2.67Å; R493-E496 PolarHBondContact NH2-OE2 2.98Å; I494-E496 PolarHBondContact O-N 2.81Å; E496-S498 PolarHBondContact O-N 3.11Å
497H33.2Very low30.7Very low166 Ų166153.2 Ų153.277%0.76973%0.73SS**  trans-69.867.2167.3-82.3-92.8000110.2A495 L499A495-H497 PolarHBondContact O-N 3.46Å; H497-L499 PolarHBondContact O-N 2.84Å
498S26.9Very low30.9Very low71 Ų71147 Ų14750%0.49771%0.713SS.*  trans-63.787.5145.657.70000106.1E496 D500E496-S498 PolarHBondContact O-N 3.11Å; S498-D500 PolarHBondContact O-N 3.39Å
499L30.7Very low31.3Very low121 Ų121142.2 Ų142.263%0.63470%0.701SS**  trans-68.783-178.2-169.2138.3000107.8H497 K501H497-L499 PolarHBondContact O-N 2.84Å; L499-K501 PolarHBondContact O-N 3.42Å
500D27.5Very low32.1Very low119 Ų119133.9 Ų133.964%0.63667%0.67SS**  trans-61.5130.6-177.5-157.5-7.3000108.3S498 S502 H503S498-D500 PolarHBondContact O-N 3.39Å; D500-S502 PolarHBondContact O-N 3.22Å; D500-H503 PolarHBondContact O-N 2.91Å; D500-H503 VanDerWaalsContact O-N 3.11Å
501K34.9Very low32.6Very low181 Ų181132 Ų13279%0.78766%0.661SS**THydrogen-bonded Turntrans-68.8-6.6-154.1-73.4177.5177.7172.30113.7L499L499-K501 PolarHBondContact O-N 3.42Å
502S32.8Very low33.7Very low90 Ų90128.2 Ų128.263%0.62964%0.644SS**THydrogen-bonded Turntrans-73.2-36174.1500000114.4D500 R504D500-S502 PolarHBondContact O-N 3.22Å; S502-R504 VanDerWaalsContact C-N 3.26Å; S502-R504 PolarHBondContact O-N 2.98Å
503H33.2Very low34.9Very low157 Ų157121.6 Ų121.673%0.72762%0.616SS**  trans-87.641.2-172.6-79.1-59.3000114.5D500 N505D500-H503 PolarHBondContact O-N 2.91Å; D500-H503 VanDerWaalsContact O-N 3.11Å; H503-N505 PolarHBondContact O-N 3.11Å; H503-N505 VanDerWaalsContact O-N 3.11Å
504R31.9Very low36.5Very low203 Ų203115.8 Ų115.877%0.76660%0.597SS**THydrogen-bonded Turntrans-64.4-12.1-177.1-90.8-177.2164.1-165-5.2116.3S502S502-R504 VanDerWaalsContact C-N 3.26Å; S502-R504 PolarHBondContact O-N 2.98Å
505N30.1Very low38.2Very low159 Ų159114.1 Ų114.185%0.8559%0.587SS**THydrogen-bonded Turntrans-99-3.2-168.6-68.64.2000115.3H503 L507H503-N505 PolarHBondContact O-N 3.11Å; H503-N505 VanDerWaalsContact O-N 3.11Å; N505-L507 PolarHBondContact O-N 3.33Å
506L35.3Very low39.9Very low152 Ų152110.5 Ų110.580%0.79656%0.557SS**  trans-84.371.1174-152.480.8000110.6L508L506-L508 VanDerWaalsContact C-N 3.3Å; L506-L508 PolarHBondContact O-N 3.04Å
507L31.9Very low42Very low133 Ų133105.3 Ų105.370%0.69653%0.533SS*.  trans-71.582-179.2-16382.7000110.8N505N505-L507 PolarHBondContact O-N 3.33Å
508L36.9Very low44Very low94 Ų9499.7 Ų99.749%0.49251%0.507SS..  trans-51.1123.7167-84.8156000108.8L506 F510L506-L508 VanDerWaalsContact C-N 3.3Å; L506-L508 PolarHBondContact O-N 3.04Å; L508-F510 PolarHBondContact O-N 3.43Å
509P38.4Very low46.4Very low93 Ų93100.3 Ų100.360%0.60450%0.501SS*.SBendtrans-71.515.4-171.528.8-36000114.4
510F44.1Very low48.8Very low64 Ų6495 Ų9528%0.28147%0.473SS..  trans-125.478.5172.4-79.3-91.5000109.1L508 H512 P513 P730L508-F510 PolarHBondContact O-N 3.43Å; F510-H512 VanDerWaalsContact C-N 3.28Å; F510-P513 HydrophobicContact CB-CB 4.09Å; F510-P513 HydrophobicContact CB-CG 4.37Å; F510-P513 HydrophobicContact CD1-CB 3.94Å; F510-P513 HydrophobicContact CG-CB 4.41Å; F510-P513 WeakPolarHBondContact O-CD 3.37Å; F510-P730 HydrophobicContact CD2-CB 3.8Å; F510-P730 HydrophobicContact CD2-CG 3.74Å; F510-P730 HydrophobicContact CE2-CB 3.69Å; F510-P730 HydrophobicContact CE2-CG 4.15Å
511Q42.1Very low51.4Low137 Ų13789.4 Ų89.464%0.6444%0.443SS*.SBendtrans-73.7-28.1166.9-156.4152.9-9.500110K29 P513K29-Q511 PolarHBondContact NZ-O 3.06Å; Q511-P513 VanDerWaalsContact C-CD 3.48Å
512H50.5Low53.7Low114 Ų11484.8 Ų84.853%0.52843%0.427SS..  trans-123.554.1179.8-69.1-111.4000114.9F510 V514 E515F510-H512 VanDerWaalsContact C-N 3.28Å; H512-V514 PolarHBondContact O-N 3.48Å; H512-V514 VanDerWaalsContact O-N 3.08Å; H512-E515 HydrophobicContact CB-CG 4.47Å; H512-E515 IonicContact CE1-OE1 3.58Å; H512-E515 IonicContact CG-OE1 2.95Å; H512-E515 IonicContact ND1-OE1 2.73Å; H512-E515 PolarHBondContact ND1-OE1 3.34Å; H512-E515 PolarHBondContact O-N 3.42Å; H512-E515 VanDerWaalsContact O-N 3.15Å
513P54.6Low56.2Low25 Ų2583.7 Ų83.716%0.16241%0.414CS..Hα-helixtrans-65.3-13.5176.430.1-34.7000113.4K29 F510 Q511K29-P513 HydrophobicContact CD-CG 3.82Å; F510-P513 HydrophobicContact CB-CB 4.09Å; F510-P513 HydrophobicContact CB-CG 4.37Å; F510-P513 HydrophobicContact CD1-CB 3.94Å; F510-P513 HydrophobicContact CG-CB 4.41Å; F510-P513 WeakPolarHBondContact O-CD 3.37Å; Q511-P513 VanDerWaalsContact C-CD 3.48Å
514V61Low58.7Low32 Ų3276.4 Ų76.419%0.19438%0.38CS..Hα-helixtrans-62.3-45.1173.6-173.80000110.5Y26 K29 L30 H512 Q518Y26-V514 HydrophobicContact CD2-CG1 4.47Å; Y26-V514 HydrophobicContact CE2-CB 4.4Å; Y26-V514 HydrophobicContact CE2-CG1 3.85Å; Y26-V514 WeakPolarHBondContact CE2-O 3.38Å; K29-V514 HydrophobicContact CD-CG2 3.95Å; K29-V514 HydrophobicContact CG-CG2 4.36Å; L30-V514 HydrophobicContact CD2-CG1 4.36Å; H512-V514 PolarHBondContact O-N 3.48Å; H512-V514 VanDerWaalsContact O-N 3.08Å; V514-Q518 WeakPolarHBondContact O-CB 3.32Å; V514-Q518 VanDerWaalsContact O-CG 3.26Å; V514-Q518 WeakPolarHBondContact O-CG 3.17Å; V514-Q518 PolarHBondContact O-N 3.03Å; V514-Q518 VanDerWaalsContact O-N 3.14Å
515E66.1Low61.3Low81 Ų8167.5 Ų67.538%0.37935%0.349SS..Hα-helixtrans-75.5-38.4-172.6-69.3173.2-143.800112.4H512 Q518 K519H512-E515 HydrophobicContact CB-CG 4.47Å; H512-E515 IonicContact CE1-OE1 3.58Å; H512-E515 IonicContact CG-OE1 2.95Å; H512-E515 IonicContact ND1-OE1 2.73Å; H512-E515 PolarHBondContact ND1-OE1 3.34Å; H512-E515 PolarHBondContact O-N 3.42Å; H512-E515 VanDerWaalsContact O-N 3.15Å; E515-Q518 PolarHBondContact O-N 2.95Å; E515-K519 WeakPolarHBondContact O-CB 3.28Å; E515-K519 WeakPolarHBondContact O-CG 3.34Å; E515-K519 PolarHBondContact O-N 3.22Å
516S67.6Low64.1Low10 Ų1064 Ų647%0.0733%0.329CS..Hα-helixtrans-60.9-48.8178-50.30000112.1E149 K519 V520E149-S516 WeakPolarHBondContact OE2-CA 3.47Å; E149-S516 WeakPolarHBondContact OE2-CB 3.36Å; E149-S516 PolarHBondContact OE2-OG 3.31Å; S516-K519 PolarHBondContact O-N 3.37Å; S516-V520 WeakPolarHBondContact O-CG2 3.4Å; S516-V520 PolarHBondContact O-N 2.97Å
517V72Confident66.6Low10 Ų1059.6 Ų59.66%0.06131%0.306CS..Hα-helixtrans-69.9-38.6-179.3175.70000110.6Y26 L146 V520 Y521Y26-V517 HydrophobicContact CD1-CG1 3.93Å; Y26-V517 HydrophobicContact CD2-CB 3.68Å; Y26-V517 HydrophobicContact CD2-CG1 3.85Å; Y26-V517 HydrophobicContact CD2-CG2 4.45Å; Y26-V517 HydrophobicContact CE1-CG1 4.45Å; Y26-V517 HydrophobicContact CE2-CB 4.31Å; Y26-V517 HydrophobicContact CE2-CG1 4.4Å; Y26-V517 HydrophobicContact CG-CB 3.89Å; Y26-V517 HydrophobicContact CG-CG1 3.61Å; Y26-V517 HydrophobicContact CG-CG2 4.48Å; L146-V517 HydrophobicContact CD2-CG2 4.06Å; V517-V520 PolarHBondContact O-N 3.02Å; V517-Y521 HydrophobicContact CG1-CD2 3.68Å; V517-Y521 HydrophobicContact CG1-CE2 3.61Å; V517-Y521 VanDerWaalsContact O-CD2 3.27Å; V517-Y521 WeakPolarHBondContact O-CD2 3.35Å; V517-Y521 PolarHBondContact O-N 3.24Å
518Q74.8Confident69.1Low47 Ų4753.3 Ų53.322%0.2227%0.273CS..Hα-helixtrans-60.6-44.4172.1-78.2173.9-7.800112.9Y26 I87 V514 E515 Y521 L522Y26-Q518 HydrophobicContact CE2-CG 3.74Å; Y26-Q518 WeakPolarHBondContact OH-CG 3.44Å; Y26-Q518 PolarHBondContact OH-NE2 3.36Å; I87-Q518 HydrophobicContact CG2-CG 4.48Å; V514-Q518 WeakPolarHBondContact O-CB 3.32Å; V514-Q518 VanDerWaalsContact O-CG 3.26Å; V514-Q518 WeakPolarHBondContact O-CG 3.17Å; V514-Q518 PolarHBondContact O-N 3.03Å; V514-Q518 VanDerWaalsContact O-N 3.14Å; E515-Q518 PolarHBondContact O-N 2.95Å; Q518-Y521 PolarHBondContact O-N 2.88Å; Q518-L522 WeakPolarHBondContact O-CB 3.33Å; Q518-L522 PolarHBondContact O-N 3.4Å
519K77.7Confident71.6Confident85 Ų8552.7 Ų52.737%0.3727%0.269SS..Hα-helixtrans-68.6-32.8178.7-79.4178.8-110.3164.60112.6E149 E515 S516 L522 L523E149-K519 VanDerWaalsContact OE1-CD 3.25Å; E149-K519 WeakPolarHBondContact OE1-CD 3.35Å; E149-K519 WeakPolarHBondContact OE1-CE 3.49Å; E149-K519 IonicContact OE1-NZ 2.6Å; E149-K519 PolarHBondContact OE1-NZ 3.25Å; E515-K519 WeakPolarHBondContact O-CB 3.28Å; E515-K519 WeakPolarHBondContact O-CG 3.34Å; E515-K519 PolarHBondContact O-N 3.22Å; S516-K519 PolarHBondContact O-N 3.37Å; K519-L522 PolarHBondContact O-N 2.92Å; K519-L523 WeakPolarHBondContact O-CB 3.49Å; K519-L523 PolarHBondContact O-N 3.31Å
520V80.8Confident73.9Confident9 Ų952.6 Ų52.66%0.05526%0.262CS..Hα-helixtrans-71.1-38172.3174.80000112L19 L145 L146 S516 V517 L523 L524L19-V520 HydrophobicContact CD1-CG1 4.17Å; L19-V520 HydrophobicContact CD2-CG1 3.64Å; L145-V520 HydrophobicContact CB-CG1 4.18Å; L145-V520 HydrophobicContact CB-CG2 4.41Å; L145-V520 HydrophobicContact CD1-CG1 4.45Å; L146-V520 HydrophobicContact CD2-CB 4.4Å; L146-V520 HydrophobicContact CD2-CG2 3.93Å; L146-V520 HydrophobicContact CG-CG2 4.49Å; S516-V520 WeakPolarHBondContact O-CG2 3.4Å; S516-V520 PolarHBondContact O-N 2.97Å; V517-V520 PolarHBondContact O-N 3.02Å; V520-L523 PolarHBondContact O-N 3.43Å; V520-L524 WeakPolarHBondContact O-CB 3.42Å; V520-L524 PolarHBondContact O-N 2.96Å
521Y82.2Confident75.9Confident2 Ų249.9 Ų49.91%0.00825%0.25CS..Hα-helixtrans-68-34.1171.5-82.3-65.5000113.1L19 S23 I86 V517 Q518 L524 S525L19-Y521 HydrophobicContact CD1-CD1 4.03Å; L19-Y521 HydrophobicContact CD1-CE1 3.61Å; S23-Y521 PolarHBondContact OG-OH 3.3Å; I86-Y521 HydrophobicContact CB-CD2 4.45Å; I86-Y521 HydrophobicContact CB-CG 4.26Å; I86-Y521 HydrophobicContact CD1-CD1 3.54Å; I86-Y521 HydrophobicContact CD1-CD2 4.37Å; I86-Y521 HydrophobicContact CD1-CE1 3.35Å; I86-Y521 HydrophobicContact CD1-CE2 4.2Å; I86-Y521 HydrophobicContact CD1-CG 4.06Å; I86-Y521 HydrophobicContact CG2-CD1 4.43Å; I86-Y521 HydrophobicContact CG2-CD2 3.56Å; I86-Y521 HydrophobicContact CG2-CE2 3.92Å; I86-Y521 HydrophobicContact CG2-CG 3.85Å; V517-Y521 HydrophobicContact CG1-CD2 3.68Å; V517-Y521 HydrophobicContact CG1-CE2 3.61Å; V517-Y521 VanDerWaalsContact O-CD2 3.27Å; V517-Y521 WeakPolarHBondContact O-CD2 3.35Å; V517-Y521 PolarHBondContact O-N 3.24Å; Q518-Y521 PolarHBondContact O-N 2.88Å; Y521-L524 HydrophobicContact CD1-CD2 4.11Å; Y521-L524 HydrophobicContact CE1-CD2 4.31Å; Y521-L524 PolarHBondContact O-N 3.5Å; Y521-S525 WeakPolarHBondContact O-CB 3.42Å; Y521-S525 PolarHBondContact O-N 3.4Å
522L84.3Confident78Confident83 Ų8346.2 Ų46.244%0.43523%0.231SC..Hα-helixtrans-63-48.1170.9-178.861.9000111.4I87 Q518 K519 L524 S525 I526I87-L522 HydrophobicContact CD1-CB 3.72Å; I87-L522 HydrophobicContact CD1-CD1 3.84Å; I87-L522 HydrophobicContact CD1-CG 4.34Å; Q518-L522 WeakPolarHBondContact O-CB 3.33Å; Q518-L522 PolarHBondContact O-N 3.4Å; K519-L522 PolarHBondContact O-N 2.92Å; L522-L524 VanDerWaalsContact C-N 3.3Å; L522-L524 PolarHBondContact O-N 3.38Å; L522-S525 WeakPolarHBondContact O-CB 3.29Å; L522-S525 PolarHBondContact O-N 3.47Å; L522-I526 HydrophobicContact CD1-CD1 4.36Å; L522-I526 HydrophobicContact CG-CD1 4.09Å; L522-I526 WeakPolarHBondContact O-CG1 3.35Å; L522-I526 PolarHBondContact O-N 2.99Å
523L85.6Confident79.6Confident68 Ų6844.6 Ų44.636%0.35623%0.226SC..Hα-helixtrans-57.9-43.7174.4177.862.8000111.2K519 V520 S525 I526 I527K519-L523 WeakPolarHBondContact O-CB 3.49Å; K519-L523 PolarHBondContact O-N 3.31Å; V520-L523 PolarHBondContact O-N 3.43Å; L523-S525 PolarHBondContact O-N 3.48Å; L523-I526 PolarHBondContact O-N 3.41Å; L523-I527 HydrophobicContact CD1-CD1 4.09Å; L523-I527 HydrophobicContact CD1-CG1 4.38Å; L523-I527 HydrophobicContact CG-CD1 3.93Å; L523-I527 VanDerWaalsContact O-CG1 3.28Å; L523-I527 WeakPolarHBondContact O-CG1 3.46Å; L523-I527 PolarHBondContact O-N 2.7Å
524L85.5Confident80.9Confident3 Ų347.1 Ų47.12%0.01624%0.237CC..Hα-helixtrans-63.6-39.4176.8-166.874.1000112.1L12 L15 L19 N83 V520 Y521 L522 I527 S528L12-L524 HydrophobicContact CD1-CD1 3.54Å; L12-L524 HydrophobicContact CD1-CG 4.07Å; L15-L524 HydrophobicContact CB-CD1 3.78Å; L15-L524 HydrophobicContact CD1-CD1 4.3Å; L19-L524 HydrophobicContact CD1-CD2 3.75Å; N83-L524 HydrophobicContact CB-CD2 4.39Å; N83-L524 WeakPolarHBondContact OD1-CD2 3.42Å; V520-L524 WeakPolarHBondContact O-CB 3.42Å; V520-L524 PolarHBondContact O-N 2.96Å; Y521-L524 HydrophobicContact CD1-CD2 4.11Å; Y521-L524 HydrophobicContact CE1-CD2 4.31Å; Y521-L524 PolarHBondContact O-N 3.5Å; L522-L524 VanDerWaalsContact C-N 3.3Å; L522-L524 PolarHBondContact O-N 3.38Å; L524-I527 PolarHBondContact O-N 2.99Å; L524-S528 WeakPolarHBondContact O-CB 3.4Å; L524-S528 PolarHBondContact O-N 2.99Å; L524-S528 PolarHBondContact O-OG 3.44Å
525S86.4Confident81.6Confident17 Ų1745.7 Ų45.712%0.11923%0.228CC..Hα-helixtrans-65.4-40.5174.1-173.40000111.7V80 Y521 L522 L523 S528 M529V80-S525 PolarHBondContact O-OG 2.76Å; V80-S525 VanDerWaalsContact O-OG 3.07Å; Y521-S525 WeakPolarHBondContact O-CB 3.42Å; Y521-S525 PolarHBondContact O-N 3.4Å; L522-S525 WeakPolarHBondContact O-CB 3.29Å; L522-S525 PolarHBondContact O-N 3.47Å; L523-S525 PolarHBondContact O-N 3.48Å; S525-S528 WeakPolarHBondContact O-CB 3.34Å; S525-S528 PolarHBondContact O-N 3.15Å; S525-M529 WeakPolarHBondContact O-CB 3.39Å; S525-M529 PolarHBondContact O-N 3.14Å
526I88.2Confident82.1Confident84 Ų8443.4 Ų43.443%0.43122%0.219SC..Hα-helixtrans-63.7-46.5174.1-67.5163.6000111.3L522 L523 S528 M529 I530L522-I526 HydrophobicContact CD1-CD1 4.36Å; L522-I526 HydrophobicContact CG-CD1 4.09Å; L522-I526 WeakPolarHBondContact O-CG1 3.35Å; L522-I526 PolarHBondContact O-N 2.99Å; L523-I526 PolarHBondContact O-N 3.41Å; I526-S528 VanDerWaalsContact C-N 3.32Å; I526-S528 PolarHBondContact O-N 3.37Å; I526-M529 PolarHBondContact O-N 3.15Å; I526-M529 VanDerWaalsContact O-N 3.14Å; I526-I530 HydrophobicContact CG2-CD1 3.9Å; I526-I530 WeakPolarHBondContact O-CG1 3.47Å; I526-I530 PolarHBondContact O-N 3.01Å
527I87.1Confident81.9Confident61 Ų6144.5 Ų44.531%0.31323%0.226SC..Hα-helixtrans-63-40.9176-64.2164.5000110.5L12 L523 L524 M529 L531L12-I527 HydrophobicContact CD1-CB 4.42Å; L12-I527 HydrophobicContact CD1-CG2 4.05Å; L523-I527 HydrophobicContact CD1-CD1 4.09Å; L523-I527 HydrophobicContact CD1-CG1 4.38Å; L523-I527 HydrophobicContact CG-CD1 3.93Å; L523-I527 VanDerWaalsContact O-CG1 3.28Å; L523-I527 WeakPolarHBondContact O-CG1 3.46Å; L523-I527 PolarHBondContact O-N 2.7Å; L524-I527 PolarHBondContact O-N 2.99Å; I527-M529 VanDerWaalsContact C-N 3.27Å; I527-M529 PolarHBondContact O-N 2.71Å; I527-L531 VanDerWaalsContact O-CB 3.27Å; I527-L531 WeakPolarHBondContact O-CB 3.46Å; I527-L531 PolarHBondContact O-N 3.12Å
528S85.8Confident81.5Confident0 Ų045.2 Ų45.20%023%0.229CC..Hα-helixtrans-58.4-40.8173.6-55.20000111.4V80 N83 L524 S525 I526 L531 W532V80-S528 VanDerWaalsContact CG2-C 3.49Å; N83-S528 PolarHBondContact ND2-OG 3.03Å; L524-S528 WeakPolarHBondContact O-CB 3.4Å; L524-S528 PolarHBondContact O-N 2.99Å; L524-S528 PolarHBondContact O-OG 3.44Å; S525-S528 WeakPolarHBondContact O-CB 3.34Å; S525-S528 PolarHBondContact O-N 3.15Å; I526-S528 VanDerWaalsContact C-N 3.32Å; I526-S528 PolarHBondContact O-N 3.37Å; S528-L531 PolarHBondContact O-N 3.34Å; S528-W532 VanDerWaalsContact O-CB 3.29Å; S528-W532 WeakPolarHBondContact O-CB 3.49Å; S528-W532 PolarHBondContact O-N 3.26Å
529M88.7Confident81.1Confident82 Ų8243.1 Ų43.140%0.40422%0.219SC..Hα-helixtrans-72.9-44.6-176.6-176.5-85.7-174.500111.7V80 S525 I526 I527 L531 W532 L533V80-M529 HydrophobicContact CG1-CB 4.15Å; V80-M529 HydrophobicContact CG2-CB 3.97Å; S525-M529 WeakPolarHBondContact O-CB 3.39Å; S525-M529 PolarHBondContact O-N 3.14Å; I526-M529 PolarHBondContact O-N 3.15Å; I526-M529 VanDerWaalsContact O-N 3.14Å; I527-M529 VanDerWaalsContact C-N 3.27Å; I527-M529 PolarHBondContact O-N 2.71Å; M529-L531 VanDerWaalsContact C-N 3.28Å; M529-L531 PolarHBondContact O-N 2.91Å; M529-W532 PolarHBondContact O-N 3.06Å; M529-L533 HydrophobicContact CE-CD1 3.68Å; M529-L533 HydrophobicContact CE-CD2 4.49Å; M529-L533 HydrophobicContact CE-CG 4.17Å; M529-L533 WeakPolarHBondContact O-CG 3.21Å; M529-L533 PolarHBondContact O-N 2.57Å; M529-L533 HydrophobicContact SD-CD1 3.71Å; M529-L533 HydrophobicContact SD-CG 4.14Å
530I87.7Confident80.1Confident91 Ų9140.9 Ų40.947%0.46722%0.215SC..Hα-helixtrans-58.2-43.9172.2-66.5164.7000110.3I526 L533 L534I526-I530 HydrophobicContact CG2-CD1 3.9Å; I526-I530 WeakPolarHBondContact O-CG1 3.47Å; I526-I530 PolarHBondContact O-N 3.01Å; I530-L533 PolarHBondContact O-N 2.83Å; I530-L534 HydrophobicContact CG2-CD1 4.2Å; I530-L534 WeakPolarHBondContact O-CG 3.28Å; I530-L534 PolarHBondContact O-N 3.16Å
531L85.6Confident79Confident6 Ų649.6 Ų49.63%0.03125%0.246CC..Hα-helixtrans-70.7-36.9-179.7-17358.6000112.8I5 V9 L12 L76 I527 S528 M529 L534 T535I5-L531 HydrophobicContact CG2-CD1 4.36Å; V9-L531 HydrophobicContact CB-CD2 4.27Å; V9-L531 HydrophobicContact CG2-CD1 4.41Å; V9-L531 HydrophobicContact CG2-CD2 3.71Å; V9-L531 HydrophobicContact CG2-CG 4.18Å; L12-L531 HydrophobicContact CB-CD2 4.23Å; L12-L531 HydrophobicContact CD2-CD2 3.8Å; L76-L531 HydrophobicContact CD2-CD2 4.1Å; L76-L531 HydrophobicContact CD2-CG 4.35Å; I527-L531 VanDerWaalsContact O-CB 3.27Å; I527-L531 WeakPolarHBondContact O-CB 3.46Å; I527-L531 PolarHBondContact O-N 3.12Å; S528-L531 PolarHBondContact O-N 3.34Å; M529-L531 VanDerWaalsContact C-N 3.28Å; M529-L531 PolarHBondContact O-N 2.91Å; L531-L534 WeakPolarHBondContact O-CB 3.38Å; L531-L534 PolarHBondContact O-N 3.37Å; L531-T535 PolarHBondContact O-N 3.37Å; L531-T535 VanDerWaalsContact O-N 3.07Å; L531-T535 PolarHBondContact O-OG1 2.96Å
532W85.3Confident77.6Confident60 Ų6050.8 Ų50.823%0.22726%0.255CS..Hα-helixtrans-61.1-48.1172.2177.362.1000111.2S73 L76 F77 V80 S528 M529 L534 T535 I536S73-W532 PolarHBondContact O-NE1 3.2Å; S73-W532 PolarHBondContact OG-NE1 2.66Å; L76-W532 HydrophobicContact CB-CB 4.16Å; L76-W532 HydrophobicContact CB-CG 4.44Å; F77-W532 HydrophobicContact CD2-CD2 4.18Å; F77-W532 AromaticContact CD2-CE2 3.82Å; F77-W532 HydrophobicContact CD2-CE3 4.39Å; F77-W532 AromaticContact CD2-CH2 3.95Å; F77-W532 HydrophobicContact CD2-CH2 3.95Å; F77-W532 AromaticContact CD2-CZ2 3.71Å; F77-W532 HydrophobicContact CD2-CZ2 3.71Å; F77-W532 HydrophobicContact CD2-CZ3 4.29Å; F77-W532 HydrophobicContact CE2-CH2 4.17Å; F77-W532 HydrophobicContact CE2-CZ2 4.29Å; F77-W532 HydrophobicContact CG-CZ2 4.35Å; V80-W532 HydrophobicContact CG2-CB 4.36Å; S528-W532 VanDerWaalsContact O-CB 3.29Å; S528-W532 WeakPolarHBondContact O-CB 3.49Å; S528-W532 PolarHBondContact O-N 3.26Å; M529-W532 PolarHBondContact O-N 3.06Å; W532-L534 VanDerWaalsContact C-N 3.26Å; W532-L534 PolarHBondContact O-N 3.28Å; W532-T535 WeakPolarHBondContact CA-OG1 3.31Å; W532-T535 WeakPolarHBondContact O-CA 3.2Å; W532-T535 PolarHBondContact O-N 2.84Å; W532-T535 PolarHBondContact O-OG1 2.92Å; W532-I536 HydrophobicContact CD2-CD1 4.3Å; W532-I536 HydrophobicContact CE3-CD1 4.27Å; W532-I536 HydrophobicContact CH2-CD1 3.98Å; W532-I536 HydrophobicContact CZ2-CD1 3.99Å; W532-I536 HydrophobicContact CZ2-CG1 4.43Å; W532-I536 HydrophobicContact CZ3-CD1 4.11Å; W532-I536 PolarHBondContact O-N 2.93Å; W532-I536 VanDerWaalsContact O-N 3.11Å
533L84.7Confident76.1Confident81 Ų8150.9 Ų50.942%0.42425%0.253SS..Hα-helixtrans-55.6-40.6173.1-70.6-179.2000112.2M529 I530 T535 I536 P537M529-L533 HydrophobicContact CE-CD1 3.68Å; M529-L533 HydrophobicContact CE-CD2 4.49Å; M529-L533 HydrophobicContact CE-CG 4.17Å; M529-L533 WeakPolarHBondContact O-CG 3.21Å; M529-L533 PolarHBondContact O-N 2.57Å; M529-L533 HydrophobicContact SD-CD1 3.71Å; M529-L533 HydrophobicContact SD-CG 4.14Å; I530-L533 PolarHBondContact O-N 2.83Å; L533-T535 PolarHBondContact O-N 2.85Å; L533-I536 HydrophobicContact CD2-CD1 3.86Å; L533-I536 PolarHBondContact O-N 3.16Å; L533-P537 VanDerWaalsContact O-CD 3.29Å; L533-P537 WeakPolarHBondContact O-CD 3.39Å
534L81.7Confident74.4Confident77 Ų7751.8 Ų51.840%0.40327%0.265SS..Hα-helixtrans-67.5-20.5175.3-71.9168.7000113.7M1 I5 I530 L531 W532M1-L534 HydrophobicContact CE-CD2 4.49Å; I5-L534 WeakPolarHBondContact CD1-O 3.49Å; I530-L534 HydrophobicContact CG2-CD1 4.2Å; I530-L534 WeakPolarHBondContact O-CG 3.28Å; I530-L534 PolarHBondContact O-N 3.16Å; L531-L534 WeakPolarHBondContact O-CB 3.38Å; L531-L534 PolarHBondContact O-N 3.37Å; W532-L534 VanDerWaalsContact C-N 3.26Å; W532-L534 PolarHBondContact O-N 3.28Å
535T76.5Confident73Confident2 Ų256 Ų561%0.01229%0.287CS..Hα-helixtrans-89.6-17172.551.10000115I5 L72 L76 L531 W532 L533 P537 L538 T539I5-T535 HydrophobicContact CG2-CG2 3.58Å; L72-T535 HydrophobicContact CD2-CG2 4.27Å; L76-T535 HydrophobicContact CD1-CG2 3.54Å; L76-T535 WeakPolarHBondContact CD1-OG1 3.5Å; L531-T535 PolarHBondContact O-N 3.37Å; L531-T535 VanDerWaalsContact O-N 3.07Å; L531-T535 PolarHBondContact O-OG1 2.96Å; W532-T535 WeakPolarHBondContact CA-OG1 3.31Å; W532-T535 WeakPolarHBondContact O-CA 3.2Å; W532-T535 PolarHBondContact O-N 2.84Å; W532-T535 PolarHBondContact O-OG1 2.92Å; L533-T535 PolarHBondContact O-N 2.85Å; T535-P537 VanDerWaalsContact C-N 3.35Å; T535-L538 WeakPolarHBondContact O-CA 3.42Å; T535-L538 WeakPolarHBondContact O-CB 3.32Å; T535-L538 PolarHBondContact O-N 3.27Å; T535-T539 PolarHBondContact O-N 2.92Å
536I75.1Confident71.1Confident33 Ų3358.8 Ų58.817%0.16930%0.297CS..G310 helixtrans-56.9-40177.7-67.9174.6000112.6W532 L533 L538 T539 C542W532-I536 HydrophobicContact CD2-CD1 4.3Å; W532-I536 HydrophobicContact CE3-CD1 4.27Å; W532-I536 HydrophobicContact CH2-CD1 3.98Å; W532-I536 HydrophobicContact CZ2-CD1 3.99Å; W532-I536 HydrophobicContact CZ2-CG1 4.43Å; W532-I536 HydrophobicContact CZ3-CD1 4.11Å; W532-I536 PolarHBondContact O-N 2.93Å; W532-I536 VanDerWaalsContact O-N 3.11Å; L533-I536 HydrophobicContact CD2-CD1 3.86Å; L533-I536 PolarHBondContact O-N 3.16Å; I536-L538 PolarHBondContact O-N 3.33Å; I536-T539 PolarHBondContact O-N 2.86Å; I536-T539 VanDerWaalsContact O-N 3.14Å; I536-T539 PolarHBondContact O-OG1 3.11Å; I536-C542 HydrophobicContact CG2-CB 3.78Å; I536-C542 WeakPolarHBondContact CG2-SG 3.12Å
537P64.9Low69.4Low34 Ų3459.1 Ų59.122%0.22130%0.299CS..G310 helixtrans-67.6-0.1173.2-21.834.4000115.6L533 T535 F546L533-P537 VanDerWaalsContact O-CD 3.29Å; L533-P537 WeakPolarHBondContact O-CD 3.39Å; T535-P537 VanDerWaalsContact C-N 3.35Å; P537-F546 HydrophobicContact CB-CE2 4.45Å; P537-F546 HydrophobicContact CB-CZ 4.45Å; P537-F546 HydrophobicContact CG-CD2 4.49Å; P537-F546 HydrophobicContact CG-CE1 4.41Å; P537-F546 HydrophobicContact CG-CE2 3.91Å; P537-F546 HydrophobicContact CG-CZ 3.87Å
538L63.9Low67.7Low24 Ų2466.6 Ų66.613%0.12632%0.323CS..G310 helixtrans-108.3-10.3173.8-61.2173.2000112.8R2 I5 S69 T535 I536R2-L538 HydrophobicContact CG-CD1 4.38Å; R2-L538 HydrophobicContact CG-CD2 3.85Å; I5-L538 HydrophobicContact CD1-CD1 3.81Å; I5-L538 HydrophobicContact CG2-CD1 4.44Å; S69-L538 WeakPolarHBondContact CB-O 3.08Å; S69-L538 PolarHBondContact OG-O 3.2Å; T535-L538 WeakPolarHBondContact O-CA 3.42Å; T535-L538 WeakPolarHBondContact O-CB 3.32Å; T535-L538 PolarHBondContact O-N 3.27Å; I536-L538 PolarHBondContact O-N 3.33Å
539T64.9Low66.2Low3 Ų375.7 Ų75.72%0.01836%0.359CS..SBendtrans-84.9151.9175.8630000111.3D70 T535 I536 W541 C542D70-T539 WeakPolarHBondContact OD1-CA 3.33Å; D70-T539 VanDerWaalsContact OD1-CB 3.24Å; D70-T539 WeakPolarHBondContact OD1-CB 3.29Å; T535-T539 PolarHBondContact O-N 2.92Å; I536-T539 PolarHBondContact O-N 2.86Å; I536-T539 VanDerWaalsContact O-N 3.14Å; I536-T539 PolarHBondContact O-OG1 3.11Å; T539-W541 PolarHBondContact O-N 2.66Å; T539-C542 PolarHBondContact O-N 2.78Å
540S58Low64.5Low39 Ų3978.3 Ų78.327%0.27337%0.368SS..Hα-helixtrans-62.7-27.3174.761.80000112.8D70 C542 E543D70-S540 VanDerWaalsContact CG-OG 3.31Å; D70-S540 PolarHBondContact OD1-N 2.69Å; D70-S540 PolarHBondContact OD1-OG 3.36Å; D70-S540 PolarHBondContact OD2-OG 3.45Å; S540-C542 PolarHBondContact O-N 3.32Å; S540-C542 VanDerWaalsContact O-N 3.11Å; S540-E543 VanDerWaalsContact CA-OE2 3.26Å; S540-E543 WeakPolarHBondContact CA-OE2 3.11Å; S540-E543 PolarHBondContact O-N 3.21Å
541W56.5Low62.1Low191 Ų19177 Ų7772%0.72338%0.376SS*.Hα-helixtrans-60.2-24.9-174.9-63.639.5000113T539T539-W541 PolarHBondContact O-N 2.66Å
542C53.7Low60Low27 Ų2782.1 Ų82.118%0.18240%0.404CS..Hα-helixtrans-118.11.3179.2-75.90000115.3I536 T539 S540 S544 I545 F546I536-C542 HydrophobicContact CG2-CB 3.78Å; I536-C542 WeakPolarHBondContact CG2-SG 3.12Å; T539-C542 PolarHBondContact O-N 2.78Å; S540-C542 PolarHBondContact O-N 3.32Å; S540-C542 VanDerWaalsContact O-N 3.11Å; C542-S544 VanDerWaalsContact C-N 3.3Å; C542-S544 PolarHBondContact O-N 2.76Å; C542-I545 PolarHBondContact O-N 3.31Å; C542-F546 HydrophobicContact CB-CD2 4.5Å; C542-F546 PolarHBondContact O-N 2.86Å
543E53Low57.8Low85 Ų8587 Ų8740%0.39743%0.426SS..Hα-helixtrans-53.1-49.1175.7-70.4-178.7103.400110.8K67 S540 I545 I547K67-E543 IonicContact NZ-OE1 3.78Å; K67-E543 IonicContact NZ-OE2 2.67Å; K67-E543 PolarHBondContact NZ-OE2 3.48Å; S540-E543 VanDerWaalsContact CA-OE2 3.26Å; S540-E543 WeakPolarHBondContact CA-OE2 3.11Å; S540-E543 PolarHBondContact O-N 3.21Å; E543-I545 VanDerWaalsContact C-N 3.28Å; E543-I545 PolarHBondContact O-N 3.31Å; E543-I547 HydrophobicContact CB-CD1 4.49Å; E543-I547 VanDerWaalsContact O-CB 3.27Å; E543-I547 WeakPolarHBondContact O-CB 3.37Å; E543-I547 WeakPolarHBondContact O-CD1 3.28Å; E543-I547 WeakPolarHBondContact O-CG1 3.49Å; E543-I547 PolarHBondContact O-N 2.93Å
544S49.9Very low55.8Low88 Ų8888.1 Ų88.162%0.61543%0.432SS*.Hα-helixtrans-58.8-33.1177-177.90000114.2C542 R548C542-S544 VanDerWaalsContact C-N 3.3Å; C542-S544 PolarHBondContact O-N 2.76Å; S544-R548 WeakPolarHBondContact O-CB 3.46Å
545I55.2Low53.4Low92 Ų9289.6 Ų89.647%0.47244%0.439SS..Hα-helixtrans-87.1-45.3-175.7-59.8177000110.7C542 E543 R548 Y549C542-I545 PolarHBondContact O-N 3.31Å; E543-I545 VanDerWaalsContact C-N 3.28Å; E543-I545 PolarHBondContact O-N 3.31Å; I545-R548 PolarHBondContact O-N 3.48Å; I545-Y549 HydrophobicContact CG2-CD2 4.11Å; I545-Y549 PolarHBondContact O-N 3.18Å
546F47Very low51.6Low74 Ų7494 Ų9433%0.32546%0.462SS..Hα-helixtrans-67.6-38.8179.3-110.7-92.8000112.2P537 C542 R548 F550P537-F546 HydrophobicContact CB-CE2 4.45Å; P537-F546 HydrophobicContact CB-CZ 4.45Å; P537-F546 HydrophobicContact CG-CD2 4.49Å; P537-F546 HydrophobicContact CG-CE1 4.41Å; P537-F546 HydrophobicContact CG-CE2 3.91Å; P537-F546 HydrophobicContact CG-CZ 3.87Å; C542-F546 HydrophobicContact CB-CD2 4.5Å; C542-F546 PolarHBondContact O-N 2.86Å; F546-R548 VanDerWaalsContact C-N 3.3Å; F546-R548 PolarHBondContact O-N 3.13Å; F546-F550 HydrophobicContact CD1-CB 4.1Å; F546-F550 AromaticContact CD1-CD2 3.61Å; F546-F550 HydrophobicContact CD1-CD2 3.61Å; F546-F550 HydrophobicContact CD1-CE2 4.43Å; F546-F550 HydrophobicContact CD1-CG 4.12Å; F546-F550 HydrophobicContact CE1-CB 4.43Å; F546-F550 AromaticContact CE1-CD2 3.48Å; F546-F550 HydrophobicContact CE1-CD2 3.48Å; F546-F550 VanDerWaalsContact CE1-CD2 3.48Å; F546-F550 AromaticContact CE1-CE2 3.92Å; F546-F550 HydrophobicContact CE1-CE2 3.92Å; F546-F550 HydrophobicContact CE1-CG 4.04Å; F546-F550 HydrophobicContact CG-CD2 4.22Å; F546-F550 AromaticContact CZ-CD2 3.98Å; F546-F550 HydrophobicContact CZ-CD2 3.98Å; F546-F550 AromaticContact CZ-CE2 3.98Å; F546-F550 HydrophobicContact CZ-CE2 3.98Å; F546-F550 PolarHBondContact O-N 2.72Å
547I53.1Low49.9Very low92 Ų9298.3 Ų98.347%0.47249%0.486SS..Hα-helixtrans-63.7-38174.3-66.6168.9000110.5E543 G551E543-I547 HydrophobicContact CB-CD1 4.49Å; E543-I547 VanDerWaalsContact O-CB 3.27Å; E543-I547 WeakPolarHBondContact O-CB 3.37Å; E543-I547 WeakPolarHBondContact O-CD1 3.28Å; E543-I547 WeakPolarHBondContact O-CG1 3.49Å; E543-I547 PolarHBondContact O-N 2.93Å; I547-G551 PolarHBondContact O-N 3.37Å
548R50.8Low48.6Very low217 Ų217103.9 Ų103.982%0.81951%0.514SS*.Hα-helixtrans-71.4-42176.4-95.7-176161.4-176.5-4.4114.5S544 I545 F546S544-R548 WeakPolarHBondContact O-CB 3.46Å; I545-R548 PolarHBondContact O-N 3.48Å; F546-R548 VanDerWaalsContact C-N 3.3Å; F546-R548 PolarHBondContact O-N 3.13Å
549Y53.6Low47.2Very low192 Ų192109.2 Ų109.275%0.75354%0.542SS*.Hα-helixtrans-93.2-29.8-171.9-91.3-82.9000114.9I545I545-Y549 HydrophobicContact CG2-CD2 4.11Å; I545-Y549 PolarHBondContact O-N 3.18Å
550F54.3Low45.6Very low137 Ų137116.9 Ų116.960%0.60158%0.575SS**Hα-helixtrans-114.8-4-174.6-74.4-77.4000114.2F546 L552F546-F550 HydrophobicContact CD1-CB 4.1Å; F546-F550 AromaticContact CD1-CD2 3.61Å; F546-F550 HydrophobicContact CD1-CD2 3.61Å; F546-F550 HydrophobicContact CD1-CE2 4.43Å; F546-F550 HydrophobicContact CD1-CG 4.12Å; F546-F550 HydrophobicContact CE1-CB 4.43Å; F546-F550 AromaticContact CE1-CD2 3.48Å; F546-F550 HydrophobicContact CE1-CD2 3.48Å; F546-F550 VanDerWaalsContact CE1-CD2 3.48Å; F546-F550 AromaticContact CE1-CE2 3.92Å; F546-F550 HydrophobicContact CE1-CE2 3.92Å; F546-F550 HydrophobicContact CE1-CG 4.04Å; F546-F550 HydrophobicContact CG-CD2 4.22Å; F546-F550 AromaticContact CZ-CD2 3.98Å; F546-F550 HydrophobicContact CZ-CD2 3.98Å; F546-F550 AromaticContact CZ-CE2 3.98Å; F546-F550 HydrophobicContact CZ-CE2 3.98Å; F546-F550 PolarHBondContact O-N 2.72Å; F550-L552 HydrophobicContact CB-CD1 4.4Å; F550-L552 PolarHBondContact O-N 3.36Å
551G37.1Very low44.3Very low62 Ų62123.6 Ų123.664%0.63960%0.603SS**  trans63.6-0.6178.200000115.2I547 K553I547-G551 PolarHBondContact O-N 3.37Å; G551-K553 VanDerWaalsContact C-N 3.26Å; G551-K553 PolarHBondContact O-N 3.02Å
552L41.8Very low43.1Very low115 Ų115121.8 Ų121.860%0.60261%0.606SS**  trans-73.678.4-179.7-85.5161.7000110.2F550 I554F550-L552 HydrophobicContact CB-CD1 4.4Å; F550-L552 PolarHBondContact O-N 3.36Å; L552-I554 VanDerWaalsContact C-N 3.27Å; L552-I554 PolarHBondContact O-N 3.24Å
553K37.8Very low42.1Very low163 Ų163127.3 Ų127.371%0.70963%0.632SS**  trans-62.692.2161.6-172.4179.3-175.5-177.90107.8G551 I555G551-K553 VanDerWaalsContact C-N 3.26Å; G551-K553 PolarHBondContact O-N 3.02Å; K553-I555 PolarHBondContact O-N 3.46Å
554I42.7Very low41.1Very low104 Ų104127.6 Ų127.653%0.53364%0.644SS.*  trans-59.5113.5168.7-62.8177.8000106.1L552 D556L552-I554 VanDerWaalsContact C-N 3.27Å; L552-I554 PolarHBondContact O-N 3.24Å; I554-D556 PolarHBondContact O-N 3.06Å; I554-D556 VanDerWaalsContact O-N 3.15Å
555I32.8Very low40.3Very low107 Ų107129.3 Ų129.355%0.54965%0.651SS.*  trans-74.9103.3174.1-60.7171.5000105.9K553 D557K553-I555 PolarHBondContact O-N 3.46Å; I555-D557 PolarHBondContact O-N 3.31Å
556D37.7Very low39.2Very low95 Ų95128.1 Ų128.151%0.50866%0.661SS.*  trans-73.9109.6158-85.4-27.8000106.9R2 I554 N558 N559R2-D556 IonicContact NH2-OD1 3.97Å; I554-D556 PolarHBondContact O-N 3.06Å; I554-D556 VanDerWaalsContact O-N 3.15Å; D556-N558 PolarHBondContact O-N 3.25Å; D556-N559 PolarHBondContact O-N 3.27Å
557D39.4Very low38.3Very low124 Ų124134.4 Ų134.466%0.66369%0.688SS**G310 helixtrans-58.7-7.4-175.4-62.3-43.8000114.2I555I555-D557 PolarHBondContact O-N 3.31Å
558N37.6Very low37.2Very low151 Ų151138 Ų13881%0.80771%0.708SS**G310 helixtrans-86.93.9-175.9-65.41.3000114.4D556D556-N558 PolarHBondContact O-N 3.25Å
559N34.2Very low36.3Very low135 Ų135133 Ų13372%0.72271%0.706SS**G310 helixtrans-129.520.1-176-100.7-24.9000114.2D556 E561D556-N559 PolarHBondContact O-N 3.27Å; N559-E561 VanDerWaalsContact C-N 3.28Å; N559-E561 PolarHBondContact O-N 3.43Å
560F32.2Very low35.2Very low164 Ų164129.1 Ų129.172%0.71971%0.707SS**THydrogen-bonded Turntrans-80.4-2.3-175.5-146.6-94.6000114.9
561E29.8Very low34.1Very low181 Ų181128.7 Ų128.785%0.84672%0.718SS**THydrogen-bonded Turntrans-95.2-2.9-168.8-160.4155.4-135.100114.9N559N559-E561 VanDerWaalsContact C-N 3.28Å; N559-E561 PolarHBondContact O-N 3.43Å
562L31.4Very low33.9Very low152 Ų152131 Ų13180%0.79672%0.724SS**SBendtrans-123.311.1-171.4-147.575.4000116.1
563I32.7Very low33.5Very low143 Ų143134 Ų13473%0.73374%0.737SS**SBendtrans-128.9-12-176.9-59-177.2000113.3T565I563-T565 VanDerWaalsContact C-N 3.34Å; I563-T565 PolarHBondContact O-N 2.98Å
564S33Very low33.3Very low92 Ų92134.9 Ų134.964%0.64375%0.746SS**THydrogen-bonded Turntrans-74.5-19.7176.5480000114.1
565T32.2Very low32.8Very low123 Ų123137.6 Ų137.676%0.75576%0.757SS**THydrogen-bonded Turntrans-103.921.2-175.144.90000114I563I563-T565 VanDerWaalsContact C-N 3.34Å; I563-T565 PolarHBondContact O-N 2.98Å
566G31.5Very low32.8Very low67 Ų67142.8 Ų142.869%0.69177%0.769SS**  trans-949.1-176.600000117.3L568G566-L568 PolarHBondContact O-N 3.41Å
567K29.6Very low32.7Very low206 Ų206142.7 Ų142.790%0.89678%0.776SS**  trans-92.164.2-178.3-85.1-171.1171.1-177.50113
568L28.7Very low32.5Very low169 Ų169143.7 Ų143.789%0.88578%0.782SS**  trans-152.965.4174.6-15274.9000115.6G566G566-L568 PolarHBondContact O-N 3.41Å
569S32.9Very low32.4Very low111 Ų111142 Ų14278%0.77678%0.779SS**  trans-158.990.6161.3480000114.3
570S29.9Very low32.5Very low110 Ų110142.3 Ų142.377%0.76978%0.78SS**  trans32.9102.7139.2-490000121S572S570-S572 PolarHBondContact O-N 3.44Å
571P31Very low32.7Very low128 Ų128140.2 Ų140.283%0.83178%0.777SS**  trans-87.982.4149.934.4-28.9000109.9M573P571-M573 PolarHBondContact O-N 2.78Å
572S33Very low32.9Very low111 Ų111137.8 Ų137.878%0.77677%0.769SS**  trans-71.2119.3175.755.40000110.7S570S570-S572 PolarHBondContact O-N 3.44Å
573M32.8Very low33.1Very low177 Ų177137.1 Ų137.187%0.87276%0.762SS**  trans-67153.3-172.6-63.4-177.570.600113.7P571P571-M573 PolarHBondContact O-N 2.78Å
574M33.3Very low33.1Very low183 Ų183135.9 Ų135.990%0.90176%0.757SS**  trans-113.9144.7156.3-167.4173.2-174.900108
575Q33.9Very low33.3Very low161 Ų161139.6 Ų139.675%0.75276%0.764SS**SBendtrans79.599.6169.8-150.416144.200116.9
576R31.7Very low33.2Very low216 Ų216138.3 Ų138.382%0.81576%0.76SS**  52121.7118.9-162.3-177.2-157.5171.27116.3
577S35.6Very low33.3Very low93 Ų93143.8 Ų143.865%0.6577%0.768SS**  cis-173.315823.731.20000108.6
578D35.2Very low33.4Very low145 Ų145143 Ų14378%0.77577%0.767SS**  cis-159-176-6.5-93.9-17.6000106.8
579P36Very low33.6Very low116 Ų116139 Ų13975%0.75377%0.767SS**  trans-91.5156.2-152.536.6-36.8000116.8
580D36.6Very low33.5Very low141 Ų141141.3 Ų141.375%0.75477%0.77SS**  -165.1134.2127.4-113.7-15.7000114.7
581N35.7Very low33.6Very low120 Ų120144.6 Ų144.664%0.64277%0.77SS**  trans46121.1149.3-53.5-47.2000123.7
582N34.7Very low33.7Very low129 Ų129143.6 Ų143.669%0.6977%0.766SS**  63.8147126.9-64.534.9000120.3
583E34.5Very low33.7Very low139 Ų139148.6 Ų148.665%0.6577%0.768SS**  cis-166.2168.1-12.8-120.6-178.8117.200108.8
584N34.1Very low33.8Very low117 Ų117147 Ų14763%0.62676%0.762SS**  trans52.8110151-58.6-31.7000119.2
585H35.5Very low33.7Very low169 Ų169145.8 Ų145.878%0.78276%0.759SS**  77.110980.9-94.1-80.7000116.3
586S31.5Very low33.7Very low96 Ų96141.3 Ų141.367%0.67176%0.755SS**  trans64.9145.2142.144.50000122.8
587E33.3Very low33.7Very low183 Ų183142.3 Ų142.386%0.85576%0.759SS**  trans84.9140.2152.3-78.9170.6-173.300122.2
588E30.9Very low33.6Very low189 Ų189141.2 Ų141.288%0.88375%0.751SS**  trans39.8105.8161.4-54.9-161.2149.700121.4
589G34.2Very low33.5Very low86 Ų86141.4 Ų141.489%0.88775%0.753SS**  trans-129.361.8176.400000114.4
590L30.2Very low33.6Very low159 Ų159144.8 Ų144.883%0.83276%0.758SS**  trans-74.8148.5178.1-128.1174.3000112
591K32.6Very low33.6Very low179 Ų179144.8 Ų144.878%0.77876%0.758SS**  trans92.3114.2165.1-57.6170178.5167.40119.4
592S31.7Very low33.5Very low106 Ų106146.1 Ų146.174%0.74177%0.765SS**  62.3136.8128.573.50000122.5
593R33.5Very low33.5Very low217 Ų217146.1 Ų146.182%0.81978%0.775SS**  -177.2127.7109.1-92.9173.6160.7179.6-5.7109.6
594L34.1Very low33.3Very low142 Ų142148.8 Ų148.874%0.74379%0.788SS**  71.1147.3105.6-61.3173000116
595L33.1Very low33.2Very low159 Ų159149.4 Ų149.483%0.83280%0.801SS**  cis-171.9146-26.1-173137.6000109.4
596G33.4Very low33Very low66 Ų66148.5 Ų148.568%0.6880%0.802SS**  trans102.6161163.200000116.4
597R30.9Very low32.9Very low238 Ų238149 Ų14990%0.89881%0.806SS**  cis-159.5137.80.1170.3170.2174.6174.5-3.4112.6
598S33.5Very low32.7Very low69 Ų69148.6 Ų148.648%0.48381%0.809SS.*  trans6.9125163.663.20000122.6
599D33.7Very low32.8Very low150 Ų150148.6 Ų148.680%0.80281%0.809SS**  49.7126.6111.6-33.1-39.4000121.7
600E37.8Very low32.6Very low187 Ų187152.3 Ų152.387%0.87481%0.808SS**  -178.4124.4121.4-99.2169.7-161.800113.3
601D36Very low32.6Very low141 Ų141156.5 Ų156.575%0.75481%0.813SS**  trans44.8130.2147.2-55.5-3.1000126.7
602D34.3Very low32.4Very low148 Ų148155.8 Ų155.879%0.79182%0.818SS**  trans48.9114.9135-63.1-4.8000124.3
603S35.6Very low32.3Very low128 Ų128162.5 Ų162.590%0.89583%0.827SS**  -177.8154.5111.1-78.50000113.6
604E30.3Very low32.2Very low196 Ų196157.8 Ų157.892%0.91683%0.827SS**  trans-82.7143-172.2-54.3169120.300115
605S30.2Very low31.8Very low129 Ų129160 Ų16090%0.90283%0.833SS**  trans-169.5156.5132.2-145.80000113.2
606D31.3Very low31.8Very low151 Ų151162.4 Ų162.481%0.80784%0.837SS**  trans-76152.3-159-90.3-51.2000119
607S29.8Very low31.7Very low107 Ų107165.4 Ų165.475%0.74884%0.842SS**  trans73.393.2141.265.90000121.8
608D30.8Very low31.5Very low173 Ų173161.1 Ų161.193%0.92584%0.837SS**  trans-164.880.6143.4-127.1-13.3000114.2
609E32.3Very low31.4Very low189 Ų189165.3 Ų165.388%0.88385%0.854SS**  trans-142119.8171.9-78.8-152.7129.600113.5
610L29.3Very low31.2Very low165 Ų165165.6 Ų165.686%0.86486%0.856SS**  trans-179.443.5147-108.9169.1000116.5
611W29.9Very low30.8Very low246 Ų246165 Ų16593%0.93286%0.859SS**  trans-134.50-178.5-83.3101.6000119.3
612N30Very low30.3Very low165 Ų165167 Ų16788%0.88286%0.863SS**  trans-128.181.6-173-86.1-21.8000115.6
613R28.7Very low30.1Very low246 Ų246168.1 Ų168.193%0.92887%0.869SS**  trans-170.3115.7145.5-122.7174.4172.9166.9-2115
614S30.3Very low29.8Very low119 Ų119167.7 Ų167.783%0.83286%0.86SS**  168.9117.5121.339.90000111.5
615H27.5Very low29.5Very low187 Ų187164.3 Ų164.387%0.86686%0.857SS**  trans-92.4149.4158.9-80.4-107.7000108.5
616F31.5Very low29.4Very low210 Ų210167 Ų16792%0.92186%0.855SS**  trans-148.3150.4145.6-122.7-81.6000111
617V31.6Very low29.2Very low130 Ų130164.7 Ų164.779%0.78885%0.851SS**  trans-78.8144.9-160.5170.90000113.5
618D27.7Very low29Very low148 Ų148166.9 Ų166.979%0.79185%0.854SS**  trans-78.9157.4169.1-93.7-54.9000112.9
619N30.4Very low28.9Very low157 Ų157164.3 Ų164.384%0.8485%0.849SS**  trans-139.6134.7164.2-105.5-16.6000109.4
620N29.1Very low28.8Very low155 Ų155163.9 Ų163.983%0.82985%0.847SS**  trans-74.9146-179.3-60.1-49.5000111.7
621D31.3Very low28.7Very low175 Ų175163.9 Ų163.994%0.93685%0.847SS**  trans-154.5134.6149.8-102.2-35.8000109.4
622E25.3Very low28.8Very low183 Ų183159.3 Ų159.386%0.85584%0.841SS**  trans-110128.6-175.5177.5-179.8-157.900109.5
623L29.3Very low28.8Very low172 Ų172158.7 Ų158.790%0.90184%0.838SS**  trans-150140.8170.2-148.571.7000114.5
624V29.6Very low29Very low119 Ų119155 Ų15572%0.72184%0.837SS**  trans-76.5144.1-172.31770000112.6
625C23.8Very low28.9Very low124 Ų124153.9 Ų153.984%0.83883%0.829SS**  trans-80135.2171.6-66.10000112.4
626H28.5Very low29Very low186 Ų186150.8 Ų150.886%0.86182%0.823SS**  trans-126.5151.6160-94.1-81.3000110
627S25.7Very low28.8Very low103 Ų103147.4 Ų147.472%0.7281%0.813SS**  trans-97.4173.5-176.1-57.10000113.5
628D26.5Very low28.9Very low152 Ų152148.7 Ų148.781%0.81381%0.814SS**  trans99.5148.2154.3-56.5-18.6000119.2
629S28.2Very low29.1Very low119 Ų119149.5 Ų149.583%0.83281%0.811SS**  trans69.9156.3178.478.50000116.5
630E29.8Very low29.2Very low180 Ų180148.5 Ų148.584%0.84181%0.806SS**  cis-129.5168.88.8-67.8-178112.300113.9
631L28.2Very low29.4Very low166 Ų166146.3 Ų146.387%0.86980%0.802SS**  trans-96.7146.7166.6-79.2155.4000111.1
632N32.3Very low29.4Very low150 Ų150145.1 Ų145.180%0.80280%0.795SS**  trans-168.3114.1141.8-94.3-49000107.7
633D29.1Very low29.8Very low152 Ų152143.3 Ų143.381%0.81379%0.79SS**  63.4114.474.1-102.1-3.5000115.3
634D33.5Very low29.9Very low168 Ų168143.6 Ų143.690%0.89878%0.784SS**  trans-156.3120.4142.2-148.2-2.2000108.5
635S27.4Very low30Very low95 Ų95143.1 Ų143.166%0.66479%0.786SS**  trans-95.6165-168.876.60000113
636V30.8Very low30.2Very low123 Ų123142.3 Ų142.375%0.74578%0.782SS**  trans-177.6107.6131.9144.90000112.1
637I27.8Very low30.3Very low138 Ų138139.3 Ų139.371%0.70878%0.781SS**  trans33.1110.8135.5-46.3166.9000118.4
638L33.6Very low30.5Very low157 Ų157137.9 Ų137.982%0.82278%0.783SS**  -154.2108.5125.3-141.184.9000115.1
639K31.2Very low30.6Very low166 Ų166138 Ų13872%0.72278%0.783SS**  trans44.9119.4141.1-73-176.1174.4178.40122.5
640N31.9Very low30.6Very low136 Ų136139 Ų13973%0.72778%0.78SS**  102.3133.1127.6-67.13.3000120.4
641S33.1Very low30.5Very low108 Ų108137.7 Ų137.776%0.75578%0.777SS**  trans61.9133.8161.445.90000118.5
642L32.5Very low30.6Very low151 Ų151135.5 Ų135.579%0.79178%0.775SS**  cis-149.8146-5-147.384.6000111.8
643I33.9Very low30.5Very low145 Ų145131.2 Ų131.274%0.74477%0.767SS**  trans-4.2146145.1-59.7165.6000116.5
644K31.1Very low30.6Very low177 Ų177135.2 Ų135.277%0.7777%0.772SS**  cis171.1150.5-14.2-175.8-178.4-177.5-177.70106.2
645S30.5Very low30.5Very low109 Ų109132 Ų13276%0.76276%0.763SS**  trans61167.2167.231.30000116.2
646S29Very low30.6Very low108 Ų108135.5 Ų135.576%0.75577%0.77SS**  cis-165.9156-27.9-179.80000108.1
647S29.8Very low30.6Very low122 Ų122134.3 Ų134.385%0.85377%0.768SS**  trans16.5115.6156.7-167.50000119.4
648G30.3Very low30.8Very low73 Ų73137 Ų13775%0.75378%0.775SS**  trans-175128.7165.700000113.6
649N27.7Very low30.6Very low154 Ų154134.4 Ų134.482%0.82477%0.769SS**  trans-76.8173168.8-79-22.3000111.5
650N29.5Very low30.6Very low142 Ų142135.1 Ų135.176%0.75978%0.777SS**  trans105.1103.9172-53.4-25000112.9
651I27.9Very low30.7Very low151 Ų151132.9 Ų132.977%0.77478%0.778SS**  87.4130.968.1-73.6165.2000112.9
652S29.3Very low30.4Very low120 Ų120134.1 Ų134.184%0.83978%0.781SS**  trans88137.5165.677.60000119.8
653G30.2Very low30.4Very low60 Ų60135.3 Ų135.362%0.61979%0.787SS**  trans84.2121174.700000115
654Y32.4Very low30.2Very low237 Ų237135 Ų13593%0.92979%0.786SS**  cis-143.4167.1-0.9-91.3-92.4000111.5
655S30.1Very low30.6Very low100 Ų100130.6 Ų130.670%0.69978%0.776SS**  trans-79.9174.4-177.561.60000113
656M30.7Very low30.7Very low168 Ų168132.2 Ų132.283%0.82878%0.776SS**  cis-162.715215.4-153.2153.57200113.1
657S30Very low30.9Very low99 Ų99135.3 Ų135.369%0.69278%0.783SS**  trans64.1129.5152.7177.90000118.5
658K31.8Very low31.2Very low195 Ų195135.4 Ų135.485%0.84878%0.777SS**  cis-151.8125.920.8-142.6170.8-178-1800113.8
659S30.6Very low31.4Very low101 Ų101138.7 Ų138.771%0.70678%0.778SS**  trans-49.5167.6160.2-65.60000114.5
660M31.2Very low31.7Very low181 Ų181137.3 Ų137.389%0.89277%0.77SS**  cis-166.6-178-6.9-112.3166.3158.800106.8
661A32.3Very low31.8Very low90 Ų90137.1 Ų137.174%0.74477%0.77SS**  cis-156170.328.400000113.5
662V27.4Very low31.8Very low134 Ų134137 Ų13781%0.81277%0.771SS**  trans-123.6140.9173172.90000109
663L31.8Very low31.8Very low176 Ų176137.8 Ų137.892%0.92177%0.77SS**  trans-135.8146.9163.6-86.7172.8000110.5
664N30.7Very low31.7Very low137 Ų137139.6 Ų139.673%0.73377%0.773SS**  trans-171.6162.6-160.4-168.353.9000107.5
665P38.7Very low31.6Very low85 Ų85133.5 Ų133.555%0.55277%0.772SS**  cis-119.7-156.4-35.430.6-10.2000111.1
666N32.7Very low31.6Very low144 Ų144134.4 Ų134.477%0.7777%0.774SS**  trans78.498.4155.8-57.4-16.4000119.1
667I34.3Very low31.5Very low173 Ų173131.3 Ų131.389%0.88777%0.768SS**  -148.1148.7127.3-101.5152.7000107.3
668V35.4Very low31.5Very low123 Ų123132.2 Ų132.275%0.74578%0.775SS**  trans-109.2128.9179.3174.70000107.4
669D35.2Very low31.4Very low143 Ų143132.1 Ų132.177%0.76578%0.78SS**  -176.9154.6125.9-109.1-50.8000115.1
670N34.2Very low31.4Very low124 Ų124133.7 Ų133.766%0.66378%0.779SS**  trans-50.6149.7-168.6-66.8-78.6000120.7
671N30.8Very low31.2Very low139 Ų139132.6 Ų132.674%0.74378%0.777SS**  trans82130146.4-64.4-20.2000122
672N29Very low31Very low149 Ų149134.3 Ų134.380%0.79778%0.782SS**  trans78.5143.5165.1-57.2-24.3000118.6
673T28.4Very low31.1Very low135 Ų135132.3 Ų132.383%0.82877%0.774SS**  trans53.987.8166.347.70000119
674S28.9Very low31.4Very low98 Ų98129.7 Ų129.769%0.68577%0.765SS**  174.8103.7124.543.90000112.8T676S674-T676 PolarHBondContact O-N 3.01Å; S674-T676 VanDerWaalsContact O-N 3.17Å
675A29Very low31.5Very low110 Ų110130.4 Ų130.491%0.90976%0.762SS**  trans-8852.3171.900000111.4
676T30.6Very low31Very low119 Ų119133.1 Ų133.173%0.7377%0.767SS**  trans-146.866.1-16753.70000113S674S674-T676 PolarHBondContact O-N 3.01Å; S674-T676 VanDerWaalsContact O-N 3.17Å
677S28.7Very low31.3Very low102 Ų102130.6 Ų130.671%0.71376%0.757SS**  trans-155.31317660.60000116.9
678S29.4Very low31.3Very low119 Ų119127.4 Ų127.483%0.83274%0.738SS**SBendtrans-115.810.5-177.357.60000115.7
679M29.9Very low31.6Very low192 Ų192131.2 Ų131.295%0.94674%0.739SS**  trans-115.383.9169.7-82.5-178144.100110
680I30.7Very low32.2Very low134 Ų134126.4 Ų126.469%0.68772%0.716SS**  trans-139149.2172.1-57.1-177.9000107.3
681D28.4Very low32.7Very low158 Ų158129 Ų12985%0.84572%0.716SS**  trans69.131.3174-63.2-20.7000119.3
682C26.7Very low34Very low127 Ų127125.9 Ų125.986%0.85870%0.699SS**  trans-97.385149.6-88.70000110V684C682-V684 PolarHBondContact O-N 3.44Å; C682-V684 VanDerWaalsContact O-N 3.14Å
683S29.3Very low35.4Very low92 Ų92124 Ų12464%0.64369%0.685SS**  trans-70.7108.2177.157.10000111F685 E686S683-F685 PolarHBondContact O-N 3.26Å; S683-E686 PolarHBondContact O-N 3.38Å
684V38.2Very low36.7Very low121 Ų121125.9 Ų125.973%0.73368%0.677SS**THydrogen-bonded Turntrans-60.9-10.2-176.1-175.40000113.3C682C682-V684 PolarHBondContact O-N 3.44Å; C682-V684 VanDerWaalsContact O-N 3.14Å
685F33.5Very low38.4Very low151 Ų151124.6 Ų124.666%0.66267%0.667SS**THydrogen-bonded Turntrans-102.627.8172.1-92.2-88.7000115.3L58 S683 T687L58-F685 HydrophobicContact CD2-CZ 4.49Å; S683-F685 PolarHBondContact O-N 3.26Å; F685-T687 HydrophobicContact CD1-CG2 3.59Å; F685-T687 HydrophobicContact CE1-CG2 4.01Å; F685-T687 PolarHBondContact O-N 3.29Å; F685-T687 PolarHBondContact O-OG1 3.48Å
686E29Very low40Very low143 Ų143120.8 Ų120.867%0.66863%0.634SS**  trans-66.177151.7-165.7175.6-132.200109.3S683 H688S683-E686 PolarHBondContact O-N 3.38Å; E686-H688 PolarHBondContact O-N 3.48Å; E686-H688 IonicContact OE1-CE1 3.95Å
687T37.3Very low41.8Very low91 Ų91116.5 Ų116.556%0.55861%0.606SS**  trans-74.367178.936.50000110.2F685 W689F685-T687 HydrophobicContact CD1-CG2 3.59Å; F685-T687 HydrophobicContact CE1-CG2 4.01Å; F685-T687 PolarHBondContact O-N 3.29Å; F685-T687 PolarHBondContact O-OG1 3.48Å; T687-W689 PolarHBondContact O-N 3.35Å
688H35.7Very low44.2Very low105 Ų105114.3 Ų114.349%0.48658%0.584SS.*  trans-58.983.7150.3-86.425.1000108.8E686 P690 R691E686-H688 PolarHBondContact O-N 3.48Å; E686-H688 IonicContact OE1-CE1 3.95Å; H688-P690 VanDerWaalsContact O-N 3.15Å; H688-R691 PolarHBondContact NE2-NH2 3.2Å
689W40.6Very low46.8Very low204 Ų204111.7 Ų111.777%0.77356%0.556SS**  trans-35.9122.3159-78.188.3000108.1T687 R691T687-W689 PolarHBondContact O-N 3.35Å; W689-R691 PolarHBondContact O-N 3.22Å
690P48.1Very low49Very low41 Ų41104 Ų10427%0.26652%0.518SS..  trans-56.7110.5-164.420.7-33.3000108.8H688 I692 S887H688-P690 VanDerWaalsContact O-N 3.15Å; P690-I692 PolarHBondContact O-N 3.14Å; P690-S887 VanDerWaalsContact CB-OG 3.28Å; P690-S887 WeakPolarHBondContact CB-OG 3.38Å; P690-S887 WeakPolarHBondContact CG-OG 3.47Å
691R44.7Very low51.3Low178 Ų17898.2 Ų98.267%0.67249%0.488SS*.  trans-62.3100.2-164.1-68.4-171.3-173.8-173.65108.9H688 W689 Q693H688-R691 PolarHBondContact NE2-NH2 3.2Å; W689-R691 PolarHBondContact O-N 3.22Å; R691-Q693 PolarHBondContact O-N 2.93Å
692I58Low54.1Low75 Ų7593.1 Ų93.139%0.38546%0.461SS..  trans-59110-178-59.5177.6000107.2P690 W694 F698 L701P690-I692 PolarHBondContact O-N 3.14Å; I692-W694 VanDerWaalsContact C-N 3.33Å; I692-W694 HydrophobicContact CG2-CG 4.49Å; I692-W694 PolarHBondContact O-N 3.19Å; I692-F698 HydrophobicContact CG2-CB 4.34Å; I692-L701 HydrophobicContact CG1-CD1 4.43Å; I692-L701 HydrophobicContact CG2-CD1 4.4Å
693Q58.5Low56.8Low109 Ų10987 Ų8751%0.50942%0.42SS..  trans-71.894176.9-62.8-174.89.200108R691 P695 S696 N697R691-Q693 PolarHBondContact O-N 2.93Å; Q693-P695 CarbonylContact O-C 3.56Å; Q693-S696 PolarHBondContact O-N 3.27Å; Q693-S696 VanDerWaalsContact O-N 3.1Å; Q693-S696 PolarHBondContact O-OG 2.96Å; Q693-N697 HydrophobicContact CB-CB 4.45Å; Q693-N697 PolarHBondContact O-N 3.43Å
694W55.7Low59.3Low174 Ų17483 Ų8366%0.65939%0.391SS*.THydrogen-bonded Turntrans-73.4134.7173.9-74.991000109.8I692 F698I692-W694 VanDerWaalsContact C-N 3.33Å; I692-W694 HydrophobicContact CG2-CG 4.49Å; I692-W694 PolarHBondContact O-N 3.19Å; W694-F698 HydrophobicContact CD2-CB 4.25Å; W694-F698 HydrophobicContact CE3-CB 3.9Å; W694-F698 HydrophobicContact CE3-CD1 4.37Å; W694-F698 AromaticContact CE3-CG 4Å; W694-F698 HydrophobicContact CE3-CG 4Å; W694-F698 HydrophobicContact CH2-CB 4.17Å; W694-F698 AromaticContact CH2-CD1 3.92Å; W694-F698 HydrophobicContact CH2-CD1 3.92Å; W694-F698 AromaticContact CH2-CD2 3.25Å; W694-F698 HydrophobicContact CH2-CD2 3.25Å; W694-F698 HydrophobicContact CH2-CE1 4.12Å; W694-F698 AromaticContact CH2-CE2 3.48Å; W694-F698 HydrophobicContact CH2-CE2 3.48Å; W694-F698 VanDerWaalsContact CH2-CE2 3.48Å; W694-F698 AromaticContact CH2-CG 3.49Å; W694-F698 HydrophobicContact CH2-CG 3.49Å; W694-F698 VanDerWaalsContact CH2-CG 3.49Å; W694-F698 AromaticContact CH2-CZ 3.91Å; W694-F698 HydrophobicContact CH2-CZ 3.91Å; W694-F698 HydrophobicContact CZ2-CB 4.49Å; W694-F698 AromaticContact CZ2-CD2 3.65Å; W694-F698 HydrophobicContact CZ2-CD2 3.65Å; W694-F698 HydrophobicContact CZ2-CE2 4.09Å; W694-F698 HydrophobicContact CZ2-CG 4.11Å; W694-F698 HydrophobicContact CZ3-CB 3.86Å; W694-F698 AromaticContact CZ3-CD1 3.59Å; W694-F698 HydrophobicContact CZ3-CD1 3.59Å; W694-F698 AromaticContact CZ3-CD2 3.74Å; W694-F698 HydrophobicContact CZ3-CD2 3.74Å; W694-F698 HydrophobicContact CZ3-CE1 4.04Å; W694-F698 HydrophobicContact CZ3-CE2 4.17Å; W694-F698 AromaticContact CZ3-CG 3.41Å; W694-F698 HydrophobicContact CZ3-CG 3.41Å; W694-F698 VanDerWaalsContact CZ3-CG 3.41Å; W694-F698 HydrophobicContact CZ3-CZ 4.31Å
695P63.7Low61.6Low72 Ų7279 Ų7947%0.46836%0.364SS..THydrogen-bonded Turncis-93.6-8.8-0.537.2-35.6000114.6Q693 W699 I940Q693-P695 CarbonylContact O-C 3.56Å; P695-W699 VanDerWaalsContact O-CD1 3.32Å; P695-I940 HydrophobicContact CB-CD1 4.1Å; P695-I940 HydrophobicContact CG-CD1 4.18Å
696S62.7Low64.2Low30 Ų3072.4 Ų72.421%0.2134%0.336CS..Hα-helixtrans-60.4-52.4-166.447.10000113.7Q693Q693-S696 PolarHBondContact O-N 3.27Å; Q693-S696 VanDerWaalsContact O-N 3.1Å; Q693-S696 PolarHBondContact O-OG 2.96Å
697N68.3Low66.9Low28 Ų2865.9 Ų65.915%0.1531%0.305CS..Hα-helixtrans-76.4-26.9-173.3-71.3-0.6000112.5Q693 W699 L700 L701 N884Q693-N697 HydrophobicContact CB-CB 4.45Å; Q693-N697 PolarHBondContact O-N 3.43Å; N697-W699 PolarHBondContact O-N 3.43Å; N697-L700 PolarHBondContact O-N 3.13Å; N697-L701 VanDerWaalsContact O-CG 3.25Å; N697-L701 WeakPolarHBondContact O-CG 3.25Å; N697-L701 PolarHBondContact O-N 2.94Å; N697-N884 PolarHBondContact ND2-ND2 2.75Å
698F80.3Confident69Low56 Ų5661.7 Ų61.725%0.24628%0.28CS..Hα-helixtrans-60.1-47.1-176.8173.8-102.7000112.7I692 W694 L700 L701 L702I692-F698 HydrophobicContact CG2-CB 4.34Å; W694-F698 HydrophobicContact CD2-CB 4.25Å; W694-F698 HydrophobicContact CE3-CB 3.9Å; W694-F698 HydrophobicContact CE3-CD1 4.37Å; W694-F698 AromaticContact CE3-CG 4Å; W694-F698 HydrophobicContact CE3-CG 4Å; W694-F698 HydrophobicContact CH2-CB 4.17Å; W694-F698 AromaticContact CH2-CD1 3.92Å; W694-F698 HydrophobicContact CH2-CD1 3.92Å; W694-F698 AromaticContact CH2-CD2 3.25Å; W694-F698 HydrophobicContact CH2-CD2 3.25Å; W694-F698 HydrophobicContact CH2-CE1 4.12Å; W694-F698 AromaticContact CH2-CE2 3.48Å; W694-F698 HydrophobicContact CH2-CE2 3.48Å; W694-F698 VanDerWaalsContact CH2-CE2 3.48Å; W694-F698 AromaticContact CH2-CG 3.49Å; W694-F698 HydrophobicContact CH2-CG 3.49Å; W694-F698 VanDerWaalsContact CH2-CG 3.49Å; W694-F698 AromaticContact CH2-CZ 3.91Å; W694-F698 HydrophobicContact CH2-CZ 3.91Å; W694-F698 HydrophobicContact CZ2-CB 4.49Å; W694-F698 AromaticContact CZ2-CD2 3.65Å; W694-F698 HydrophobicContact CZ2-CD2 3.65Å; W694-F698 HydrophobicContact CZ2-CE2 4.09Å; W694-F698 HydrophobicContact CZ2-CG 4.11Å; W694-F698 HydrophobicContact CZ3-CB 3.86Å; W694-F698 AromaticContact CZ3-CD1 3.59Å; W694-F698 HydrophobicContact CZ3-CD1 3.59Å; W694-F698 AromaticContact CZ3-CD2 3.74Å; W694-F698 HydrophobicContact CZ3-CD2 3.74Å; W694-F698 HydrophobicContact CZ3-CE1 4.04Å; W694-F698 HydrophobicContact CZ3-CE2 4.17Å; W694-F698 AromaticContact CZ3-CG 3.41Å; W694-F698 HydrophobicContact CZ3-CG 3.41Å; W694-F698 VanDerWaalsContact CZ3-CG 3.41Å; W694-F698 HydrophobicContact CZ3-CZ 4.31Å; F698-L700 VanDerWaalsContact C-N 3.34Å; F698-L700 PolarHBondContact O-N 2.94Å; F698-L701 PolarHBondContact O-N 3.41Å; F698-L702 HydrophobicContact CE1-CD2 4Å; F698-L702 HydrophobicContact CZ-CD2 3.94Å; F698-L702 WeakPolarHBondContact O-CB 3.31Å; F698-L702 PolarHBondContact O-N 3.35Å
699W82.6Confident71.4Confident65 Ų6556.7 Ų56.725%0.24626%0.257CS..Hα-helixtrans-68.3-32.2-177.4-66.7104000113.2P695 N697 L702 S703 T933 N936 H937 I940P695-W699 VanDerWaalsContact O-CD1 3.32Å; N697-W699 PolarHBondContact O-N 3.43Å; W699-L702 HydrophobicContact CE3-CD2 4.44Å; W699-L702 HydrophobicContact CZ3-CD2 4.33Å; W699-S703 WeakPolarHBondContact O-CB 3.49Å; W699-S703 PolarHBondContact O-N 2.91Å; W699-T933 HydrophobicContact CE3-CG2 3.93Å; W699-T933 HydrophobicContact CZ3-CG2 4.11Å; W699-N936 HydrophobicContact CD2-CB 3.58Å; W699-N936 HydrophobicContact CE3-CB 3.84Å; W699-N936 HydrophobicContact CG-CB 3.91Å; W699-N936 WeakPolarHBondContact CH2-ND2 3.38Å; W699-N936 HydrophobicContact CZ2-CB 4.35Å; W699-N936 WeakPolarHBondContact CZ2-ND2 3.44Å; W699-N936 HydrophobicContact CZ3-CB 4.33Å; W699-N936 WeakPolarHBondContact CZ3-ND2 3.41Å; W699-H937 HydrophobicContact CB-CB 4.01Å; W699-I940 HydrophobicContact CG-CD1 4.33Å
700L76.7Confident73.6Confident30 Ų3047 Ų4716%0.15722%0.22CC..Hα-helixtrans-70.4-42.4173.7-177.864.2000111.7N697 F698 S703 V704N697-L700 PolarHBondContact O-N 3.13Å; F698-L700 VanDerWaalsContact C-N 3.34Å; F698-L700 PolarHBondContact O-N 2.94Å; L700-S703 PolarHBondContact O-N 3.35Å; L700-S703 PolarHBondContact O-OG 3.33Å; L700-S703 VanDerWaalsContact O-OG 3.12Å; L700-V704 WeakPolarHBondContact O-CB 3.45Å; L700-V704 WeakPolarHBondContact O-CG2 3.44Å; L700-V704 PolarHBondContact O-N 3.45Å
701L80Confident75.4Confident12 Ų1246.2 Ų46.26%0.06321%0.213CC..Hα-helixtrans-62.7-43.9175.5-69.9171.7000111.3I692 N697 F698 S703 V704 F705 S887 I888 S891I692-L701 HydrophobicContact CG1-CD1 4.43Å; I692-L701 HydrophobicContact CG2-CD1 4.4Å; N697-L701 VanDerWaalsContact O-CG 3.25Å; N697-L701 WeakPolarHBondContact O-CG 3.25Å; N697-L701 PolarHBondContact O-N 2.94Å; F698-L701 PolarHBondContact O-N 3.41Å; L701-S703 PolarHBondContact O-N 2.88Å; L701-V704 PolarHBondContact O-N 3.04Å; L701-F705 WeakPolarHBondContact O-CB 3.46Å; L701-F705 PolarHBondContact O-N 3.49Å; L701-S887 VanDerWaalsContact CD2-C 3.42Å; L701-S887 WeakPolarHBondContact CD2-O 3.33Å; L701-I888 HydrophobicContact CD2-CB 4.4Å; L701-I888 HydrophobicContact CD2-CG1 3.75Å; L701-S891 PolarHBondContact O-OG 3.31Å
702L86Confident77.2Confident51 Ų5139.2 Ų39.227%0.26719%0.19SC..Hα-helixtrans-67.4-35177.8-170.461.8000112.4F698 W699 F705 L706 T933F698-L702 HydrophobicContact CE1-CD2 4Å; F698-L702 HydrophobicContact CZ-CD2 3.94Å; F698-L702 WeakPolarHBondContact O-CB 3.31Å; F698-L702 PolarHBondContact O-N 3.35Å; W699-L702 HydrophobicContact CE3-CD2 4.44Å; W699-L702 HydrophobicContact CZ3-CD2 4.33Å; L702-F705 HydrophobicContact CD1-CD1 4.08Å; L702-L706 HydrophobicContact CG-CD1 4.37Å; L702-L706 WeakPolarHBondContact O-CB 3.45Å; L702-L706 VanDerWaalsContact O-CG 3.29Å; L702-L706 WeakPolarHBondContact O-CG 3.48Å; L702-L706 PolarHBondContact O-N 3.5Å; L702-T933 HydrophobicContact CB-CG2 4.28Å; L702-T933 HydrophobicContact CD2-CG2 3.7Å; L702-T933 HydrophobicContact CG-CG2 3.84Å
703S83.8Confident78.4Confident0 Ų035.7 Ų35.70%017%0.172CC..Hα-helixtrans-70.9-37.5176.181.40000112.5W699 L700 L701 L706 N707 T933 F934W699-S703 WeakPolarHBondContact O-CB 3.49Å; W699-S703 PolarHBondContact O-N 2.91Å; L700-S703 PolarHBondContact O-N 3.35Å; L700-S703 PolarHBondContact O-OG 3.33Å; L700-S703 VanDerWaalsContact O-OG 3.12Å; L701-S703 PolarHBondContact O-N 2.88Å; S703-L706 PolarHBondContact O-N 2.92Å; S703-N707 VanDerWaalsContact O-CB 3.31Å; S703-N707 WeakPolarHBondContact O-CB 3.38Å; S703-N707 PolarHBondContact O-N 2.88Å; S703-T933 WeakPolarHBondContact CA-OG1 3.2Å; S703-T933 WeakPolarHBondContact CB-OG1 3.26Å; S703-F934 WeakPolarHBondContact OG-CE1 3.22Å; S703-F934 WeakPolarHBondContact OG-CZ 3.49Å
704V81.2Confident79.7Confident6 Ų630.5 Ų30.54%0.03615%0.148CC..Hα-helixtrans-59.6-50.1170.5167.60000111.2L700 L701 L706 N707 S708 S866 I888 I892L700-V704 WeakPolarHBondContact O-CB 3.45Å; L700-V704 WeakPolarHBondContact O-CG2 3.44Å; L700-V704 PolarHBondContact O-N 3.45Å; L701-V704 PolarHBondContact O-N 3.04Å; V704-L706 PolarHBondContact O-N 2.97Å; V704-N707 PolarHBondContact O-N 2.9Å; V704-S708 PolarHBondContact O-N 3.02Å; V704-S866 VanDerWaalsContact CG2-CB 3.48Å; V704-I888 HydrophobicContact CG1-CG2 4.22Å; V704-I888 HydrophobicContact CG2-CG2 4.33Å; V704-I892 HydrophobicContact CG1-CB 4.49Å; V704-I892 HydrophobicContact CG1-CD1 4.3Å; V704-I892 HydrophobicContact CG1-CG1 3.4Å
705F86.3Confident80.8Confident38 Ų3822.5 Ų22.517%0.16712%0.119CC..Hα-helixtrans-55.5-49.8176.9166.4-88.8000111.4L701 L702 G709 S891 F894 G895 L898 I899L701-F705 WeakPolarHBondContact O-CB 3.46Å; L701-F705 PolarHBondContact O-N 3.49Å; L702-F705 HydrophobicContact CD1-CD1 4.08Å; F705-G709 PolarHBondContact O-N 3.45Å; F705-G709 VanDerWaalsContact O-N 3.15Å; F705-S891 WeakPolarHBondContact CA-O 3.42Å; F705-F894 HydrophobicContact CD2-CB 3.97Å; F705-F894 VanDerWaalsContact CE2-C 3.46Å; F705-F894 HydrophobicContact CE2-CB 4Å; F705-F894 WeakPolarHBondContact CE2-O 3.48Å; F705-G895 VanDerWaalsContact CD2-CA 3.41Å; F705-G895 WeakPolarHBondContact O-CA 3.21Å; F705-L898 HydrophobicContact CE2-CB 4.31Å; F705-L898 HydrophobicContact CE2-CD2 4.47Å; F705-L898 HydrophobicContact CZ-CB 4.28Å; F705-L898 HydrophobicContact CZ-CD2 4.12Å; F705-I899 HydrophobicContact CD1-CD1 3.87Å; F705-I899 HydrophobicContact CE1-CD1 3.53Å; F705-I899 HydrophobicContact CE1-CG1 3.91Å; F705-I899 HydrophobicContact CZ-CD1 3.92Å; F705-I899 HydrophobicContact CZ-CG1 3.91Å; F705-I899 WeakPolarHBondContact O-CD1 3.35Å
706L88.3Confident81.4Confident13 Ų1319.1 Ų19.17%0.06810%0.097CC..Hα-helixtrans-63.4-42.8178.1-71.7170.4000112.2L702 S703 V704 L710 I899 L926 L929 M930 T933L702-L706 HydrophobicContact CG-CD1 4.37Å; L702-L706 WeakPolarHBondContact O-CB 3.45Å; L702-L706 VanDerWaalsContact O-CG 3.29Å; L702-L706 WeakPolarHBondContact O-CG 3.48Å; L702-L706 PolarHBondContact O-N 3.5Å; S703-L706 PolarHBondContact O-N 2.92Å; V704-L706 PolarHBondContact O-N 2.97Å; L706-L710 WeakPolarHBondContact O-CB 3.5Å; L706-L710 PolarHBondContact O-N 3.05Å; L706-I899 HydrophobicContact CD2-CD1 4.18Å; L706-L926 HydrophobicContact CD2-CD2 3.93Å; L706-L929 HydrophobicContact CD1-CB 3.92Å; L706-L929 HydrophobicContact CD2-CB 4.44Å; L706-M930 HydrophobicContact CB-CB 4.2Å; L706-M930 HydrophobicContact CD1-CB 4.5Å; L706-T933 HydrophobicContact CD1-CG2 3.79Å
707N86.3Confident82.2Confident5 Ų517.8 Ų17.83%0.0279%0.087CC..Hα-helixtrans-62.9-52.1-178.6-170.886.2000112.1S703 V704 L710 E711 S864 M930S703-N707 VanDerWaalsContact O-CB 3.31Å; S703-N707 WeakPolarHBondContact O-CB 3.38Å; S703-N707 PolarHBondContact O-N 2.88Å; V704-N707 PolarHBondContact O-N 2.9Å; N707-L710 PolarHBondContact O-N 3.49Å; N707-E711 WeakPolarHBondContact O-CB 3.4Å; N707-E711 PolarHBondContact O-N 3.38Å; N707-S864 PolarHBondContact OD1-OG 3.39Å; N707-M930 HydrophobicContact CB-SD 3.72Å; N707-M930 PolarHBondContact OD1-SD 3.13Å; N707-M930 VanDerWaalsContact OD1-SD 3.4Å
708S82.5Confident82.8Confident3 Ų316.5 Ų16.52%0.0218%0.08CC..Hα-helixtrans-73-30.5-176.2-160.10000113V704 T712 Q896V704-S708 PolarHBondContact O-N 3.02Å; S708-T712 WeakPolarHBondContact O-CB 3.4Å; S708-T712 PolarHBondContact O-N 2.9Å; S708-T712 PolarHBondContact O-OG1 3.48Å; S708-Q896 WeakPolarHBondContact OG-CG 3.49Å; S708-Q896 PolarHBondContact OG-NE2 3.49Å
709G84.6Confident82.5Confident0 Ų014 Ų140%07%0.07CC..Hα-helixtrans-69.3-37.6170.700000113.5F705 T713 G895F705-G709 PolarHBondContact O-N 3.45Å; F705-G709 VanDerWaalsContact O-N 3.15Å; G709-T713 VanDerWaalsContact O-CB 3.24Å; G709-T713 WeakPolarHBondContact O-CB 3.41Å; G709-T713 PolarHBondContact O-N 3.32Å; G709-T713 PolarHBondContact O-OG1 2.88Å; G709-G895 VanDerWaalsContact CA-C 3.47Å; G709-G895 WeakPolarHBondContact CA-O 3.46Å
710L87.1Confident82.1Confident0 Ų010.9 Ų10.90%06%0.058CC..Hα-helixtrans-66.1-45.3174.3179.958.2000111.7L706 N707 T713 Y714 F857 I861 V923 L926 M930L706-L710 WeakPolarHBondContact O-CB 3.5Å; L706-L710 PolarHBondContact O-N 3.05Å; N707-L710 PolarHBondContact O-N 3.49Å; L710-T713 PolarHBondContact O-N 3.13Å; L710-Y714 WeakPolarHBondContact O-CB 3.28Å; L710-Y714 PolarHBondContact O-N 3.28Å; L710-F857 HydrophobicContact CD1-CZ 3.86Å; L710-F857 HydrophobicContact CD2-CE2 4.49Å; L710-F857 HydrophobicContact CD2-CZ 3.97Å; L710-F857 HydrophobicContact CG-CZ 3.82Å; L710-I861 HydrophobicContact CG-CD1 4.28Å; L710-V923 HydrophobicContact CD1-CB 4.36Å; L710-V923 HydrophobicContact CD1-CG1 4.06Å; L710-V923 HydrophobicContact CD1-CG2 4.39Å; L710-L926 HydrophobicContact CD1-CB 3.75Å; L710-L926 HydrophobicContact CD1-CD1 3.96Å; L710-L926 HydrophobicContact CD2-CB 4.38Å; L710-L926 HydrophobicContact CG-CB 4.46Å; L710-M930 HydrophobicContact CD2-CE 3.84Å; L710-M930 HydrophobicContact CD2-SD 4.4Å
711E87Confident82Confident26 Ų269.5 Ų9.512%0.1215%0.051CC..Hα-helixtrans-54.1-54.9172.3-179.7-178.1-154.100111.1N707 T713 Y714 A715 F740 W741 N744 I861N707-E711 WeakPolarHBondContact O-CB 3.4Å; N707-E711 PolarHBondContact O-N 3.38Å; E711-T713 PolarHBondContact O-N 3Å; E711-Y714 PolarHBondContact O-N 2.86Å; E711-A715 WeakPolarHBondContact O-CB 3.46Å; E711-A715 PolarHBondContact O-N 3.43Å; E711-F740 HydrophobicContact CG-CZ 4.32Å; E711-W741 HydrophobicContact CG-CZ3 4.49Å; E711-N744 PolarHBondContact OE1-ND2 3.01Å; E711-I861 HydrophobicContact CB-CD1 4.05Å; E711-I861 HydrophobicContact CB-CG2 4.01Å; E711-I861 HydrophobicContact CG-CG2 4.15Å
712T81.7Confident81.7Confident31 Ų319 Ų919%0.195%0.048CC..Hα-helixtrans-62.6-41.8-178.7-56.60000112.1S708 G716 Q896 P900S708-T712 WeakPolarHBondContact O-CB 3.4Å; S708-T712 PolarHBondContact O-N 2.9Å; S708-T712 PolarHBondContact O-OG1 3.48Å; T712-G716 PolarHBondContact O-N 3.23Å; T712-Q896 WeakPolarHBondContact OG1-CG 3.27Å; T712-P900 HydrophobicContact CG2-CG 3.81Å
713T83.2Confident81Confident1 Ų18 Ų81%0.0064%0.043CC..Hα-helixtrans-62.5-48.1178.5-61.60000111.3G709 L710 E711 F717 P900 V903G709-T713 VanDerWaalsContact O-CB 3.24Å; G709-T713 WeakPolarHBondContact O-CB 3.41Å; G709-T713 PolarHBondContact O-N 3.32Å; G709-T713 PolarHBondContact O-OG1 2.88Å; L710-T713 PolarHBondContact O-N 3.13Å; E711-T713 PolarHBondContact O-N 3Å; T713-F717 HydrophobicContact CG2-CD2 3.95Å; T713-F717 HydrophobicContact CG2-CE2 4.33Å; T713-F717 VanDerWaalsContact O-CD2 3.25Å; T713-F717 WeakPolarHBondContact O-CD2 3.38Å; T713-F717 PolarHBondContact O-N 3.35Å; T713-P900 WeakPolarHBondContact OG1-CA 3.12Å; T713-P900 WeakPolarHBondContact OG1-CG 3.45Å; T713-V903 HydrophobicContact CG2-CB 3.93Å; T713-V903 HydrophobicContact CG2-CG1 3.78Å; T713-V903 HydrophobicContact CG2-CG2 3.97Å
714Y84.7Confident80.1Confident0 Ų010 Ų100%05%0.051CC..Hα-helixtrans-70.2-48.8-179.3-164.8-94.9000110.9L710 E711 G716 F717 V718 F740 L817 S854 F857 H919 V923L710-Y714 WeakPolarHBondContact O-CB 3.28Å; L710-Y714 PolarHBondContact O-N 3.28Å; E711-Y714 PolarHBondContact O-N 2.86Å; Y714-G716 VanDerWaalsContact C-N 3.27Å; Y714-G716 PolarHBondContact O-N 2.93Å; Y714-F717 PolarHBondContact O-N 2.96Å; Y714-V718 HydrophobicContact CD1-CB 4.16Å; Y714-V718 HydrophobicContact CD1-CG1 4.48Å; Y714-V718 HydrophobicContact CD1-CG2 4.38Å; Y714-V718 HydrophobicContact CE1-CB 4.01Å; Y714-V718 HydrophobicContact CE1-CG2 3.73Å; Y714-V718 WeakPolarHBondContact O-CB 3.5Å; Y714-V718 WeakPolarHBondContact O-CG1 3.37Å; Y714-V718 PolarHBondContact O-N 2.92Å; Y714-F740 AromaticContact CD1-CD2 3.41Å; Y714-F740 HydrophobicContact CD1-CD2 3.41Å; Y714-F740 VanDerWaalsContact CD1-CD2 3.41Å; Y714-F740 AromaticContact CD1-CE2 3.61Å; Y714-F740 HydrophobicContact CD1-CE2 3.61Å; Y714-F740 AromaticContact CD1-CG 3.91Å; Y714-F740 HydrophobicContact CD1-CG 3.91Å; Y714-F740 HydrophobicContact CD1-CZ 4.27Å; Y714-F740 HydrophobicContact CE1-CB 4.36Å; Y714-F740 AromaticContact CE1-CD2 3.66Å; Y714-F740 HydrophobicContact CE1-CD2 3.66Å; Y714-F740 HydrophobicContact CE1-CE2 4.27Å; Y714-F740 HydrophobicContact CE1-CG 4.11Å; Y714-F740 HydrophobicContact CG-CE2 4.4Å; Y714-L817 HydrophobicContact CE2-CD1 4.24Å; Y714-S854 PolarHBondContact OH-OG 3.34Å; Y714-F857 AromaticContact CD1-CD1 3.71Å; Y714-F857 HydrophobicContact CD1-CD1 3.71Å; Y714-F857 AromaticContact CD1-CE1 3.91Å; Y714-F857 HydrophobicContact CD1-CE1 3.91Å; Y714-F857 HydrophobicContact CD2-CD1 4.02Å; Y714-F857 AromaticContact CD2-CE1 3.77Å; Y714-F857 HydrophobicContact CD2-CE1 3.77Å; Y714-F857 AromaticContact CE1-CD1 3.87Å; Y714-F857 HydrophobicContact CE1-CD1 3.87Å; Y714-F857 HydrophobicContact CE1-CE1 4.46Å; Y714-F857 HydrophobicContact CE2-CD1 4.18Å; Y714-F857 HydrophobicContact CE2-CE1 4.34Å; Y714-F857 AromaticContact CG-CD1 3.78Å; Y714-F857 HydrophobicContact CG-CD1 3.78Å; Y714-F857 AromaticContact CG-CE1 3.52Å; Y714-F857 HydrophobicContact CG-CE1 3.52Å; Y714-H919 AromaticContact CD2-NE2 3.73Å; Y714-V923 HydrophobicContact CD2-CG1 4.18Å; Y714-V923 HydrophobicContact CD2-CG2 4.07Å
715A80.9Confident79.6Confident6 Ų613.4 Ų13.45%0.056%0.063CC..Hα-helixtrans-57.6-37.1179.300000113.5E711 F740 W741E711-A715 WeakPolarHBondContact O-CB 3.46Å; E711-A715 PolarHBondContact O-N 3.43Å; A715-F740 HydrophobicContact CB-CD1 4.27Å; A715-F740 HydrophobicContact CB-CE1 3.7Å; A715-F740 HydrophobicContact CB-CZ 4.45Å; A715-W741 HydrophobicContact CB-CH2 4.14Å; A715-W741 HydrophobicContact CB-CZ2 3.54Å
716G75.4Confident78.9Confident1 Ų112.5 Ų12.51%0.016%0.06CC..Hα-helixtrans-67.8-65.2172.200000111.7G21 I24 F42 T712 Y714 V718G21-G716 WeakPolarHBondContact CA-O 3.41Å; I24-G716 WeakPolarHBondContact CD1-O 3.47Å; F42-G716 VanDerWaalsContact CZ-CA 3.47Å; T712-G716 PolarHBondContact O-N 3.23Å; Y714-G716 VanDerWaalsContact C-N 3.27Å; Y714-G716 PolarHBondContact O-N 2.93Å; G716-V718 PolarHBondContact O-N 3.36Å
717F79Confident78Confident2 Ų218.7 Ų18.71%0.0099%0.093CC..Hα-helixtrans-76.9-19.1-167.2-66.8-63.9000115I24 A39 T713 Y714 A719 S720 L721 A904I24-F717 HydrophobicContact CD1-CD1 4.27Å; A39-F717 HydrophobicContact CB-CZ 4.27Å; T713-F717 HydrophobicContact CG2-CD2 3.95Å; T713-F717 HydrophobicContact CG2-CE2 4.33Å; T713-F717 VanDerWaalsContact O-CD2 3.25Å; T713-F717 WeakPolarHBondContact O-CD2 3.38Å; T713-F717 PolarHBondContact O-N 3.35Å; Y714-F717 PolarHBondContact O-N 2.96Å; F717-A719 VanDerWaalsContact C-N 3.31Å; F717-A719 PolarHBondContact O-N 2.76Å; F717-S720 PolarHBondContact O-N 3.05Å; F717-S720 VanDerWaalsContact O-N 3.11Å; F717-L721 WeakPolarHBondContact O-CB 3.28Å; F717-L721 PolarHBondContact O-N 3.49Å; F717-A904 HydrophobicContact CZ-CB 4.28Å
718V81.3Confident77.4Confident0 Ų019.1 Ų19.10%09%0.094CC..Hα-helixtrans-59.3-37-176.6700000113.5Y714 G716 T722 V736 T737 W850Y714-V718 HydrophobicContact CD1-CB 4.16Å; Y714-V718 HydrophobicContact CD1-CG1 4.48Å; Y714-V718 HydrophobicContact CD1-CG2 4.38Å; Y714-V718 HydrophobicContact CE1-CB 4.01Å; Y714-V718 HydrophobicContact CE1-CG2 3.73Å; Y714-V718 WeakPolarHBondContact O-CB 3.5Å; Y714-V718 WeakPolarHBondContact O-CG1 3.37Å; Y714-V718 PolarHBondContact O-N 2.92Å; G716-V718 PolarHBondContact O-N 3.36Å; V718-T722 PolarHBondContact O-N 3.36Å; V718-T722 PolarHBondContact O-OG1 3.29Å; V718-V736 HydrophobicContact CG2-CG1 3.78Å; V718-T737 HydrophobicContact CG1-CG2 4.32Å; V718-W850 HydrophobicContact CG2-CH2 3.67Å; V718-W850 HydrophobicContact CG2-CZ3 4.27Å
719A75Confident76.9Confident4 Ų421.7 Ų21.73%0.03311%0.112CC..Hα-helixtrans-71.5-35177.100000112.7F717 T722F717-A719 VanDerWaalsContact C-N 3.31Å; F717-A719 PolarHBondContact O-N 2.76Å; A719-T722 PolarHBondContact O-OG1 3.25Å
720S72.7Confident76.1Confident0 Ų022.2 Ų22.20%012%0.115CC..Hα-helixtrans-71.5-45.5173.2-174.80000111.2F717 T722 I723 R724F717-S720 PolarHBondContact O-N 3.05Å; F717-S720 VanDerWaalsContact O-N 3.11Å; S720-T722 PolarHBondContact O-N 3.13Å; S720-I723 PolarHBondContact O-N 2.83Å; S720-R724 WeakPolarHBondContact O-CB 3.32Å; S720-R724 WeakPolarHBondContact O-CG 3.34Å; S720-R724 PolarHBondContact O-N 2.96Å; S720-R724 VanDerWaalsContact OG-CD 3.27Å; S720-R724 WeakPolarHBondContact OG-CD 3.49Å; S720-R724 PolarHBondContact OG-NE 3.48Å
721L76Confident75.5Confident1 Ų125.1 Ų25.11%0.00513%0.133CC..Hα-helixtrans-57.5-44.9-176.7177.465.7000112.8F717 Y725 L726 W850 Y915F717-L721 WeakPolarHBondContact O-CB 3.28Å; F717-L721 PolarHBondContact O-N 3.49Å; L721-Y725 HydrophobicContact CD1-CD2 4.25Å; L721-Y725 PolarHBondContact O-N 3.34Å; L721-L726 PolarHBondContact O-N 3.25Å; L721-L726 VanDerWaalsContact O-N 3.09Å; L721-W850 HydrophobicContact CD2-CH2 4.36Å; L721-W850 HydrophobicContact CD2-CZ2 3.87Å; L721-W850 HydrophobicContact CG-CZ2 4.49Å; L721-Y915 HydrophobicContact CD1-CD1 3.98Å; L721-Y915 HydrophobicContact CD1-CE1 4.39Å
722T73.4Confident75.1Confident0 Ų025.3 Ų25.30%014%0.135CC..Hα-helixtrans-61.8-48.3176.931.70000112.6V718 A719 S720 L726 L727 W728 A733 V736 W850V718-T722 PolarHBondContact O-N 3.36Å; V718-T722 PolarHBondContact O-OG1 3.29Å; A719-T722 PolarHBondContact O-OG1 3.25Å; S720-T722 PolarHBondContact O-N 3.13Å; T722-L726 HydrophobicContact CG2-CD1 4.16Å; T722-L726 CarbonylContact O-C 3.57Å; T722-L726 WeakPolarHBondContact O-CB 3.32Å; T722-L726 PolarHBondContact O-N 2.57Å; T722-L727 PolarHBondContact O-N 3.48Å; T722-L727 VanDerWaalsContact O-N 3.15Å; T722-W728 HydrophobicContact CG2-CE3 4.03Å; T722-W728 PolarHBondContact O-N 3.44Å; T722-A733 HydrophobicContact CG2-CB 4.35Å; T722-A733 WeakPolarHBondContact OG1-CB 3.41Å; T722-V736 HydrophobicContact CG2-CG2 4.47Å; T722-W850 HydrophobicContact CG2-CE3 4.15Å; T722-W850 HydrophobicContact CG2-CH2 3.44Å; T722-W850 VanDerWaalsContact CG2-CH2 3.44Å; T722-W850 HydrophobicContact CG2-CZ3 3.13Å
723I69.8Low74.8Confident32 Ų3223.9 Ų23.916%0.16413%0.126CC..Hα-helixtrans-77.7-43.2-172.5-64.7170000111L25 S720 P730 A733L25-I723 HydrophobicContact CD1-CB 3.92Å; L25-I723 HydrophobicContact CD1-CD1 3.26Å; L25-I723 HydrophobicContact CD1-CG1 4.14Å; L25-I723 HydrophobicContact CD1-CG2 3.82Å; S720-I723 PolarHBondContact O-N 2.83Å; I723-P730 HydrophobicContact CD1-CB 3.71Å; I723-P730 HydrophobicContact CD1-CG 3.96Å; I723-P730 HydrophobicContact CG1-CB 4.34Å; I723-P730 HydrophobicContact CG1-CG 4.25Å; I723-P730 HydrophobicContact CG2-CG 4.49Å; I723-A733 HydrophobicContact CD1-CB 3.6Å; I723-A733 HydrophobicContact CG1-CB 3.51Å
724R66.9Low74.7Confident41 Ų4124.4 Ų24.416%0.15513%0.129CC..Hα-helixtrans-79.5-45.6-177.5-62.4-178.1-168.6-162.71113.9L25 E28 E35 S720L25-R724 HydrophobicContact CD2-CG 4.24Å; E28-R724 IonicContact OE1-CZ 2.78Å; E28-R724 IonicContact OE1-NE 2.7Å; E28-R724 IonicContact OE1-NH1 3.1Å; E28-R724 PolarHBondContact OE1-NH1 3.14Å; E28-R724 IonicContact OE1-NH2 3.8Å; E28-R724 PolarHBondContact OE1-NH2 3.22Å; E28-R724 IonicContact OE2-CZ 3.78Å; E28-R724 IonicContact OE2-NE 3.03Å; E28-R724 PolarHBondContact OE2-NE 3.24Å; E28-R724 IonicContact OE2-NH1 3.44Å; E28-R724 IonicContact OE2-NH2 3.64Å; E28-R724 PolarHBondContact OE2-NH2 2.88Å; E35-R724 WeakPolarHBondContact OE1-CD 3.37Å; E35-R724 IonicContact OE1-CZ 3.81Å; E35-R724 IonicContact OE1-NE 2.59Å; E35-R724 IonicContact OE1-NH1 3.39Å; E35-R724 PolarHBondContact OE1-NH1 3Å; S720-R724 WeakPolarHBondContact O-CB 3.32Å; S720-R724 WeakPolarHBondContact O-CG 3.34Å; S720-R724 PolarHBondContact O-N 2.96Å; S720-R724 VanDerWaalsContact OG-CD 3.27Å; S720-R724 WeakPolarHBondContact OG-CD 3.49Å; S720-R724 PolarHBondContact OG-NE 3.48Å
725Y70.2Confident74.7Confident78 Ų7827 Ų2731%0.30614%0.142SC..THydrogen-bonded Turntrans-115.8-18.7-163.4-59.2-71.6000115.1E35 L721 Y915 S916E35-Y725 WeakPolarHBondContact OE1-CE2 3.25Å; E35-Y725 PolarHBondContact OE1-OH 3.46Å; E35-Y725 PolarHBondContact OE2-OH 3.46Å; E35-Y725 VanDerWaalsContact OE2-OH 3.06Å; L721-Y725 HydrophobicContact CD1-CD2 4.25Å; L721-Y725 PolarHBondContact O-N 3.34Å; Y725-Y915 HydrophobicContact CD1-CG 4.38Å; Y725-Y915 AromaticContact CD2-CD1 3.4Å; Y725-Y915 HydrophobicContact CD2-CD1 3.4Å; Y725-Y915 VanDerWaalsContact CD2-CD1 3.4Å; Y725-Y915 HydrophobicContact CD2-CE1 4.03Å; Y725-Y915 AromaticContact CD2-CG 3.72Å; Y725-Y915 HydrophobicContact CD2-CG 3.72Å; Y725-Y915 HydrophobicContact CE1-CD2 4.46Å; Y725-Y915 HydrophobicContact CE1-CG 4.05Å; Y725-Y915 AromaticContact CE2-CD1 3.32Å; Y725-Y915 HydrophobicContact CE2-CD1 3.32Å; Y725-Y915 AromaticContact CE2-CD2 3.75Å; Y725-Y915 HydrophobicContact CE2-CD2 3.75Å; Y725-Y915 AromaticContact CE2-CE1 3.74Å; Y725-Y915 HydrophobicContact CE2-CE1 3.74Å; Y725-Y915 HydrophobicContact CE2-CE2 4.11Å; Y725-Y915 AromaticContact CE2-CG 3.33Å; Y725-Y915 HydrophobicContact CE2-CG 3.33Å; Y725-Y915 HydrophobicContact CG-CD1 4.16Å; Y725-Y915 HydrophobicContact CG-CG 4.24Å; Y725-Y915 AromaticContact CZ-CD2 3.69Å; Y725-Y915 AromaticContact CZ-CG 3.52Å; Y725-S916 WeakPolarHBondContact CB-OG 3.48Å
726L71.8Confident74.9Confident18 Ų1826.8 Ų26.89%0.09414%0.14CC..SBendtrans-93.9-12.9162.8-54.5178.3000111.9L721 T722 W728 I824 W850L721-L726 PolarHBondContact O-N 3.25Å; L721-L726 VanDerWaalsContact O-N 3.09Å; T722-L726 HydrophobicContact CG2-CD1 4.16Å; T722-L726 CarbonylContact O-C 3.57Å; T722-L726 WeakPolarHBondContact O-CB 3.32Å; T722-L726 PolarHBondContact O-N 2.57Å; L726-W728 HydrophobicContact CB-CD2 3.97Å; L726-W728 HydrophobicContact CB-CG 3.86Å; L726-W728 HydrophobicContact CD1-CD2 4.19Å; L726-W728 HydrophobicContact CD1-CE3 4.31Å; L726-W728 HydrophobicContact CD1-CH2 4.33Å; L726-W728 HydrophobicContact CD1-CZ2 4.15Å; L726-W728 HydrophobicContact CD1-CZ3 4.41Å; L726-W728 PolarHBondContact O-N 3.33Å; L726-W728 PolarHBondContact O-NE1 3.43Å; L726-I824 HydrophobicContact CD2-CD1 4.3Å; L726-W850 HydrophobicContact CD1-CD2 3.91Å; L726-W850 HydrophobicContact CD1-CE3 4.12Å; L726-W850 HydrophobicContact CD1-CH2 3.95Å; L726-W850 HydrophobicContact CD1-CZ2 3.74Å; L726-W850 HydrophobicContact CD1-CZ3 4.09Å
727L68.7Low75.3Confident144 Ų14426.8 Ų26.875%0.75414%0.14SC*.  trans57.634-177.1-61.3169.5000113T722T722-L727 PolarHBondContact O-N 3.48Å; T722-L727 VanDerWaalsContact O-N 3.15Å
728W74.1Confident75.6Confident14 Ų1426.7 Ų26.75%0.05314%0.139CC..  trans-84.2157.5-178.5-69.23.1000111.9T722 L726 L732 V736 Y847 W850T722-W728 HydrophobicContact CG2-CE3 4.03Å; T722-W728 PolarHBondContact O-N 3.44Å; L726-W728 HydrophobicContact CB-CD2 3.97Å; L726-W728 HydrophobicContact CB-CG 3.86Å; L726-W728 HydrophobicContact CD1-CD2 4.19Å; L726-W728 HydrophobicContact CD1-CE3 4.31Å; L726-W728 HydrophobicContact CD1-CH2 4.33Å; L726-W728 HydrophobicContact CD1-CZ2 4.15Å; L726-W728 HydrophobicContact CD1-CZ3 4.41Å; L726-W728 PolarHBondContact O-N 3.33Å; L726-W728 PolarHBondContact O-NE1 3.43Å; W728-L732 HydrophobicContact CB-CD2 4.37Å; W728-L732 HydrophobicContact CD2-CD2 3.84Å; W728-L732 HydrophobicContact CE3-CD2 3.45Å; W728-L732 VanDerWaalsContact CE3-CD2 3.45Å; W728-L732 HydrophobicContact CE3-CG 3.79Å; W728-L732 HydrophobicContact CG-CD2 4.25Å; W728-L732 HydrophobicContact CZ3-CD2 3.92Å; W728-L732 HydrophobicContact CZ3-CG 4.23Å; W728-V736 HydrophobicContact CZ3-CG2 4.46Å; W728-Y847 AromaticContact CD1-CE1 3.73Å; W728-Y847 AromaticContact CD2-CD1 3.97Å; W728-Y847 HydrophobicContact CD2-CD1 3.97Å; W728-Y847 AromaticContact CD2-CE1 3.75Å; W728-Y847 HydrophobicContact CD2-CE1 3.75Å; W728-Y847 AromaticContact CE2-CD1 3.48Å; W728-Y847 VanDerWaalsContact CE2-CD1 3.48Å; W728-Y847 AromaticContact CE2-CE1 3.26Å; W728-Y847 HydrophobicContact CE3-CD1 4.23Å; W728-Y847 HydrophobicContact CE3-CE1 4.43Å; W728-Y847 HydrophobicContact CG-CE1 4.04Å; W728-Y847 AromaticContact CH2-CD1 3.57Å; W728-Y847 HydrophobicContact CH2-CD1 3.57Å; W728-Y847 HydrophobicContact CH2-CE1 4.25Å; W728-Y847 HydrophobicContact CH2-CG 4.34Å; W728-Y847 AromaticContact CZ2-CD1 3.29Å; W728-Y847 HydrophobicContact CZ2-CD1 3.29Å; W728-Y847 AromaticContact CZ2-CE1 3.58Å; W728-Y847 HydrophobicContact CZ2-CE1 3.58Å; W728-Y847 HydrophobicContact CZ2-CG 4.13Å; W728-Y847 HydrophobicContact CZ3-CD1 4.03Å; W728-Y847 AromaticContact NE1-CD1 3.98Å; W728-Y847 AromaticContact NE1-CE1 3.28Å; W728-Y847 VanDerWaalsContact NE1-CE1 3.28Å; W728-Y847 AromaticContact NE1-CZ 3.92Å; W728-W850 HydrophobicContact CE3-CE3 4.35Å; W728-W850 HydrophobicContact CH2-CB 3.72Å; W728-W850 HydrophobicContact CH2-CD2 4.12Å; W728-W850 AromaticContact CH2-CE3 3.93Å; W728-W850 HydrophobicContact CH2-CE3 3.93Å; W728-W850 HydrophobicContact CH2-CG 4.05Å; W728-W850 HydrophobicContact CZ3-CB 4.38Å; W728-W850 HydrophobicContact CZ3-CD2 4.19Å; W728-W850 AromaticContact CZ3-CE3 3.53Å; W728-W850 HydrophobicContact CZ3-CE3 3.53Å; W728-W850 HydrophobicContact CZ3-CZ3 4.2Å
729S71Confident76Confident56 Ų5628.6 Ų28.639%0.39215%0.149SC..  trans-60.5141.4174.565.10000110.3T731 L732 A733S729-T731 PolarHBondContact O-N 2.96Å; S729-T731 VanDerWaalsContact O-N 3.14Å; S729-L732 WeakPolarHBondContact O-CB 3.29Å; S729-L732 PolarHBondContact O-N 3.05Å; S729-L732 PolarHBondContact OG-N 3.42Å; S729-A733 PolarHBondContact O-N 3.3Å
730P68.6Low76.7Confident12 Ų1228.4 Ų28.48%0.07815%0.148CC..Hα-helixtrans-58.8-28.6178.1-29.438.1000113.3F510 I723 L732 A733 I734F510-P730 HydrophobicContact CD2-CB 3.8Å; F510-P730 HydrophobicContact CD2-CG 3.74Å; F510-P730 HydrophobicContact CE2-CB 3.69Å; F510-P730 HydrophobicContact CE2-CG 4.15Å; I723-P730 HydrophobicContact CD1-CB 3.71Å; I723-P730 HydrophobicContact CD1-CG 3.96Å; I723-P730 HydrophobicContact CG1-CB 4.34Å; I723-P730 HydrophobicContact CG1-CG 4.25Å; I723-P730 HydrophobicContact CG2-CG 4.49Å; P730-L732 VanDerWaalsContact C-N 3.29Å; P730-L732 PolarHBondContact O-N 3.33Å; P730-A733 WeakPolarHBondContact O-CB 3.37Å; P730-A733 PolarHBondContact O-N 3.06Å; P730-I734 WeakPolarHBondContact O-CB 3.46Å; P730-I734 WeakPolarHBondContact O-CD1 2.77Å; P730-I734 WeakPolarHBondContact O-CG1 3.28Å; P730-I734 PolarHBondContact O-N 3.04Å
731T75.1Confident77.4Confident60 Ų6029.1 Ų29.137%0.36815%0.15SC..Hα-helixtrans-51-47.1167.5-52.10000112.3F147 S729 I734 I735F147-T731 HydrophobicContact CE1-CG2 3.69Å; F147-T731 HydrophobicContact CZ-CG2 3.61Å; F147-T731 WeakPolarHBondContact CZ-O 3.48Å; S729-T731 PolarHBondContact O-N 2.96Å; S729-T731 VanDerWaalsContact O-N 3.14Å; T731-I734 PolarHBondContact O-N 3.4Å; T731-I735 HydrophobicContact CG2-CD1 4.16Å; T731-I735 WeakPolarHBondContact O-CD1 3.27Å; T731-I735 VanDerWaalsContact O-CG1 3.28Å; T731-I735 WeakPolarHBondContact O-CG1 3.26Å; T731-I735 PolarHBondContact O-N 3.18Å
732L77.6Confident78Confident31 Ų3131.8 Ų31.816%0.16217%0.165CC..Hα-helixtrans-74.1-34.1-178-164.658.8000112W728 S729 P730 I735 V736 Y847 L851W728-L732 HydrophobicContact CB-CD2 4.37Å; W728-L732 HydrophobicContact CD2-CD2 3.84Å; W728-L732 HydrophobicContact CE3-CD2 3.45Å; W728-L732 VanDerWaalsContact CE3-CD2 3.45Å; W728-L732 HydrophobicContact CE3-CG 3.79Å; W728-L732 HydrophobicContact CG-CD2 4.25Å; W728-L732 HydrophobicContact CZ3-CD2 3.92Å; W728-L732 HydrophobicContact CZ3-CG 4.23Å; S729-L732 WeakPolarHBondContact O-CB 3.29Å; S729-L732 PolarHBondContact O-N 3.05Å; S729-L732 PolarHBondContact OG-N 3.42Å; P730-L732 VanDerWaalsContact C-N 3.29Å; P730-L732 PolarHBondContact O-N 3.33Å; L732-I735 PolarHBondContact O-N 2.93Å; L732-V736 VanDerWaalsContact O-CG2 3.27Å; L732-V736 WeakPolarHBondContact O-CG2 3.26Å; L732-V736 PolarHBondContact O-N 3.49Å; L732-Y847 HydrophobicContact CD2-CD1 3.63Å; L732-Y847 HydrophobicContact CD2-CE1 3.87Å; L732-L851 HydrophobicContact CD1-CD1 4.38Å; L732-L851 HydrophobicContact CD1-CD2 4.1Å
733A76.3Confident78.8Confident1 Ų131.8 Ų31.81%0.00817%0.165CC..Hα-helixtrans-61.7-43.517200000113.1T722 I723 S729 P730 V736 T737T722-A733 HydrophobicContact CG2-CB 4.35Å; T722-A733 WeakPolarHBondContact OG1-CB 3.41Å; I723-A733 HydrophobicContact CD1-CB 3.6Å; I723-A733 HydrophobicContact CG1-CB 3.51Å; S729-A733 PolarHBondContact O-N 3.3Å; P730-A733 WeakPolarHBondContact O-CB 3.37Å; P730-A733 PolarHBondContact O-N 3.06Å; A733-V736 PolarHBondContact O-N 3.37Å; A733-T737 WeakPolarHBondContact O-CB 3.37Å; A733-T737 PolarHBondContact O-N 3.35Å; A733-T737 PolarHBondContact O-OG1 2.94Å
734I80.2Confident79.6Confident12 Ų1230.5 Ų30.56%0.06216%0.158CC..Hα-helixtrans-63-44.8175.4-71.8169000110.2P143 L146 F147 P730 T731 T737 S738P143-I734 HydrophobicContact CB-CB 4.34Å; P143-I734 HydrophobicContact CB-CG2 3.46Å; P143-I734 VanDerWaalsContact CB-CG2 3.46Å; P143-I734 WeakPolarHBondContact CB-O 3.42Å; P143-I734 WeakPolarHBondContact O-CG2 3.14Å; L146-I734 HydrophobicContact CB-CD1 4.15Å; L146-I734 HydrophobicContact CD1-CD1 4.4Å; F147-I734 HydrophobicContact CD2-CG2 3.89Å; F147-I734 HydrophobicContact CE1-CB 4.47Å; F147-I734 HydrophobicContact CE1-CD1 4.12Å; F147-I734 HydrophobicContact CE1-CG2 4.22Å; F147-I734 HydrophobicContact CE2-CB 4.13Å; F147-I734 HydrophobicContact CE2-CG2 3.29Å; F147-I734 HydrophobicContact CZ-CB 3.82Å; F147-I734 HydrophobicContact CZ-CD1 4.33Å; F147-I734 HydrophobicContact CZ-CG2 3.48Å; F147-I734 VanDerWaalsContact CZ-CG2 3.48Å; P730-I734 WeakPolarHBondContact O-CB 3.46Å; P730-I734 WeakPolarHBondContact O-CD1 2.77Å; P730-I734 WeakPolarHBondContact O-CG1 3.28Å; P730-I734 PolarHBondContact O-N 3.04Å; T731-I734 PolarHBondContact O-N 3.4Å; I734-T737 PolarHBondContact O-N 2.91Å; I734-S738 WeakPolarHBondContact O-CB 3.44Å; I734-S738 PolarHBondContact O-N 2.66Å
735I84.2Confident80.6Confident55 Ų5529.2 Ų29.228%0.28215%0.154SC..Hα-helixtrans-60.7-44.5174.5-71.2164.9000111.6F147 T731 L732 S738 L739 L851F147-I735 HydrophobicContact CE2-CG1 4.34Å; F147-I735 HydrophobicContact CZ-CG1 4.4Å; T731-I735 HydrophobicContact CG2-CD1 4.16Å; T731-I735 WeakPolarHBondContact O-CD1 3.27Å; T731-I735 VanDerWaalsContact O-CG1 3.28Å; T731-I735 WeakPolarHBondContact O-CG1 3.26Å; T731-I735 PolarHBondContact O-N 3.18Å; L732-I735 PolarHBondContact O-N 2.93Å; I735-S738 WeakPolarHBondContact O-CB 3.43Å; I735-S738 PolarHBondContact O-N 2.97Å; I735-L739 HydrophobicContact CG2-CD1 3.99Å; I735-L739 HydrophobicContact CG2-CG 4.42Å; I735-L739 WeakPolarHBondContact O-CB 3.44Å; I735-L739 WeakPolarHBondContact O-CG 3.47Å; I735-L739 PolarHBondContact O-N 2.92Å; I735-L851 HydrophobicContact CG2-CD2 4.03Å
736V85.4Confident81.5Confident0 Ų027.9 Ų27.90%015%0.154CC..Hα-helixtrans-63.8-44.6177.7173.60000111.4V718 T722 W728 L732 A733 S738 L739 F740 W850 L851 S854V718-V736 HydrophobicContact CG2-CG1 3.78Å; T722-V736 HydrophobicContact CG2-CG2 4.47Å; W728-V736 HydrophobicContact CZ3-CG2 4.46Å; L732-V736 VanDerWaalsContact O-CG2 3.27Å; L732-V736 WeakPolarHBondContact O-CG2 3.26Å; L732-V736 PolarHBondContact O-N 3.49Å; A733-V736 PolarHBondContact O-N 3.37Å; V736-S738 VanDerWaalsContact C-N 3.26Å; V736-S738 PolarHBondContact O-N 3.43Å; V736-L739 PolarHBondContact O-N 2.97Å; V736-L739 VanDerWaalsContact O-N 3.11Å; V736-F740 PolarHBondContact O-N 3.25Å; V736-W850 HydrophobicContact CB-CZ3 4.01Å; V736-W850 HydrophobicContact CG1-CE3 4.11Å; V736-W850 HydrophobicContact CG1-CH2 4.22Å; V736-W850 HydrophobicContact CG1-CZ3 3.5Å; V736-W850 VanDerWaalsContact CG1-CZ3 3.5Å; V736-W850 HydrophobicContact CG2-CE3 3.86Å; V736-W850 HydrophobicContact CG2-CZ3 3.69Å; V736-L851 HydrophobicContact CG2-CD2 3.55Å; V736-L851 HydrophobicContact CG2-CG 4.47Å; V736-S854 VanDerWaalsContact CG1-CB 3.47Å; V736-S854 VanDerWaalsContact CG1-OG 3.23Å; V736-S854 WeakPolarHBondContact CG1-OG 3.48Å
737T83.6Confident82.1Confident1 Ų127 Ų271%0.00615%0.15CC..Hα-helixtrans-61.8-39.2179.7-50.70000110.6P143 V718 A733 I734 W741P143-T737 HydrophobicContact CG-CG2 4.24Å; V718-T737 HydrophobicContact CG1-CG2 4.32Å; A733-T737 WeakPolarHBondContact O-CB 3.37Å; A733-T737 PolarHBondContact O-N 3.35Å; A733-T737 PolarHBondContact O-OG1 2.94Å; I734-T737 PolarHBondContact O-N 2.91Å; T737-W741 PolarHBondContact O-N 3.43Å
738S85.6Confident82.8Confident1 Ų120.3 Ų20.31%0.00711%0.114CC..Hα-helixtrans-60.5-50.5169.7163.30000112Y144 I734 I735 V736 F740 W741 L742Y144-S738 WeakPolarHBondContact CE2-OG 3.42Å; Y144-S738 PolarHBondContact OH-OG 3.31Å; I734-S738 WeakPolarHBondContact O-CB 3.44Å; I734-S738 PolarHBondContact O-N 2.66Å; I735-S738 WeakPolarHBondContact O-CB 3.43Å; I735-S738 PolarHBondContact O-N 2.97Å; V736-S738 VanDerWaalsContact C-N 3.26Å; V736-S738 PolarHBondContact O-N 3.43Å; S738-F740 VanDerWaalsContact C-N 3.3Å; S738-F740 PolarHBondContact O-N 3.37Å; S738-W741 PolarHBondContact O-N 3.36Å; S738-W741 VanDerWaalsContact O-N 3.16Å; S738-L742 VanDerWaalsContact O-CB 3.32Å; S738-L742 WeakPolarHBondContact O-CB 3.09Å; S738-L742 PolarHBondContact O-N 3.11Å
739L89.2Confident83.3Confident40 Ų4022.8 Ų22.821%0.20913%0.128CC..Hα-helixtrans-60.5-36.1-179.9-76.7172.4000113I735 V736 L742 G743 L851 F855I735-L739 HydrophobicContact CG2-CD1 3.99Å; I735-L739 HydrophobicContact CG2-CG 4.42Å; I735-L739 WeakPolarHBondContact O-CB 3.44Å; I735-L739 WeakPolarHBondContact O-CG 3.47Å; I735-L739 PolarHBondContact O-N 2.92Å; V736-L739 PolarHBondContact O-N 2.97Å; V736-L739 VanDerWaalsContact O-N 3.11Å; L739-L742 HydrophobicContact CD2-CD2 4.34Å; L739-L742 PolarHBondContact O-N 3.2Å; L739-G743 PolarHBondContact O-N 3.08Å; L739-L851 HydrophobicContact CD1-CB 4.15Å; L739-L851 HydrophobicContact CD1-CD2 3.58Å; L739-L851 HydrophobicContact CD1-CG 4.47Å; L739-F855 HydrophobicContact CB-CB 4.31Å; L739-F855 HydrophobicContact CD2-CD2 4.31Å; L739-F855 WeakPolarHBondContact O-CD2 3.49Å
740F89.3Confident84Confident0 Ų023 Ų230%013%0.127CC..Hα-helixtrans-61.3-52.2172.6167.5-97.9000111.5E711 Y714 A715 V736 S738 L742 G743 N744 F857 G858 I861E711-F740 HydrophobicContact CG-CZ 4.32Å; Y714-F740 AromaticContact CD1-CD2 3.41Å; Y714-F740 HydrophobicContact CD1-CD2 3.41Å; Y714-F740 VanDerWaalsContact CD1-CD2 3.41Å; Y714-F740 AromaticContact CD1-CE2 3.61Å; Y714-F740 HydrophobicContact CD1-CE2 3.61Å; Y714-F740 AromaticContact CD1-CG 3.91Å; Y714-F740 HydrophobicContact CD1-CG 3.91Å; Y714-F740 HydrophobicContact CD1-CZ 4.27Å; Y714-F740 HydrophobicContact CE1-CB 4.36Å; Y714-F740 AromaticContact CE1-CD2 3.66Å; Y714-F740 HydrophobicContact CE1-CD2 3.66Å; Y714-F740 HydrophobicContact CE1-CE2 4.27Å; Y714-F740 HydrophobicContact CE1-CG 4.11Å; Y714-F740 HydrophobicContact CG-CE2 4.4Å; A715-F740 HydrophobicContact CB-CD1 4.27Å; A715-F740 HydrophobicContact CB-CE1 3.7Å; A715-F740 HydrophobicContact CB-CZ 4.45Å; V736-F740 PolarHBondContact O-N 3.25Å; S738-F740 VanDerWaalsContact C-N 3.3Å; S738-F740 PolarHBondContact O-N 3.37Å; F740-L742 VanDerWaalsContact C-N 3.3Å; F740-L742 PolarHBondContact O-N 3.05Å; F740-G743 PolarHBondContact O-N 3.43Å; F740-N744 PolarHBondContact O-N 3.34Å; F740-F857 HydrophobicContact CD2-CD1 4.04Å; F740-F857 AromaticContact CE2-CD1 3.74Å; F740-F857 HydrophobicContact CE2-CD1 3.74Å; F740-F857 HydrophobicContact CE2-CE1 4.1Å; F740-G858 WeakPolarHBondContact O-CA 3.39Å; F740-I861 HydrophobicContact CE2-CD1 4.01Å; F740-I861 HydrophobicContact CZ-CD1 4.12Å
741W87.6Confident84.5Confident14 Ų1423 Ų235%0.05313%0.125CC..Hα-helixtrans-64.5-34.3177.6-73.5119.8000112.6L136 C139 V140 E711 A715 T737 S738 N744 L745L136-W741 HydrophobicContact CD2-CE3 4.3Å; L136-W741 HydrophobicContact CD2-CZ3 4.3Å; C139-W741 HydrophobicContact CB-CB 4.28Å; C139-W741 HydrophobicContact CB-CD2 3.54Å; C139-W741 HydrophobicContact CB-CE3 3.69Å; C139-W741 HydrophobicContact CB-CG 3.81Å; C139-W741 HydrophobicContact CB-CZ2 4.42Å; C139-W741 HydrophobicContact CB-CZ3 4.22Å; V140-W741 VanDerWaalsContact CG2-C 3.46Å; V140-W741 HydrophobicContact CG2-CB 3.77Å; E711-W741 HydrophobicContact CG-CZ3 4.49Å; A715-W741 HydrophobicContact CB-CH2 4.14Å; A715-W741 HydrophobicContact CB-CZ2 3.54Å; T737-W741 PolarHBondContact O-N 3.43Å; S738-W741 PolarHBondContact O-N 3.36Å; S738-W741 VanDerWaalsContact O-N 3.16Å; W741-N744 WeakPolarHBondContact O-CB 3.5Å; W741-N744 PolarHBondContact O-N 2.97Å; W741-L745 WeakPolarHBondContact O-CB 3.28Å; W741-L745 PolarHBondContact O-N 2.95Å
742L90Very high84.5Confident58 Ų5820.8 Ų20.830%0.30411%0.112SC..Hα-helixtrans-68.3-39.4176.6-17865.4000110.7V140 S738 L739 F740 L745 V746 F855V140-L742 HydrophobicContact CG1-CB 4.39Å; V140-L742 HydrophobicContact CG1-CD1 4.28Å; V140-L742 HydrophobicContact CG2-CB 4.2Å; S738-L742 VanDerWaalsContact O-CB 3.32Å; S738-L742 WeakPolarHBondContact O-CB 3.09Å; S738-L742 PolarHBondContact O-N 3.11Å; L739-L742 HydrophobicContact CD2-CD2 4.34Å; L739-L742 PolarHBondContact O-N 3.2Å; F740-L742 VanDerWaalsContact C-N 3.3Å; F740-L742 PolarHBondContact O-N 3.05Å; L742-L745 HydrophobicContact CD1-CD2 4.42Å; L742-L745 PolarHBondContact O-N 3.39Å; L742-V746 WeakPolarHBondContact O-CB 2.95Å; L742-V746 VanDerWaalsContact O-CG2 3.26Å; L742-V746 WeakPolarHBondContact O-CG2 3.23Å; L742-V746 PolarHBondContact O-N 3.34Å; L742-F855 HydrophobicContact CD2-CE2 4.34Å; L742-F855 HydrophobicContact CG-CE2 4.2Å
743G89Confident84.6Confident0 Ų025 Ų250%013%0.133CC..Hα-helixtrans-59.3-46.417100000111.7L739 F740 V746 G747 F855 G858 I859L739-G743 PolarHBondContact O-N 3.08Å; F740-G743 PolarHBondContact O-N 3.43Å; G743-V746 PolarHBondContact O-N 3.5Å; G743-G747 PolarHBondContact O-N 3.01Å; G743-F855 WeakPolarHBondContact CA-O 3.42Å; G743-G858 CarbonylContact C-O 3.52Å; G743-G858 CarbonylContact O-C 3.55Å; G743-I859 VanDerWaalsContact C-N 3.31Å; G743-I859 VanDerWaalsContact O-CA 3.25Å; G743-I859 WeakPolarHBondContact O-CA 3.43Å; G743-I859 WeakPolarHBondContact O-CG1 3.31Å; G743-I859 PolarHBondContact O-N 3.46Å
744N87.6Confident84.7Confident5 Ų528 Ų283%0.02715%0.149CC..Hα-helixtrans-59.3-49177-169-0.4000111.6E711 F740 W741 V746 G747 F748 G858 G862E711-N744 PolarHBondContact OE1-ND2 3.01Å; F740-N744 PolarHBondContact O-N 3.34Å; W741-N744 WeakPolarHBondContact O-CB 3.5Å; W741-N744 PolarHBondContact O-N 2.97Å; N744-V746 PolarHBondContact O-N 3.4Å; N744-G747 PolarHBondContact O-N 2.7Å; N744-F748 WeakPolarHBondContact O-CB 3.35Å; N744-F748 PolarHBondContact O-N 3.4Å; N744-G858 VanDerWaalsContact CA-O 3.24Å; N744-G858 WeakPolarHBondContact CA-O 3.29Å; N744-G858 VanDerWaalsContact N-C 3.31Å; N744-G858 PolarHBondContact N-O 3.22Å; N744-G862 VanDerWaalsContact OD1-CA 3.31Å; N744-G862 WeakPolarHBondContact OD1-CA 3.39Å
745L87Confident84.2Confident13 Ų1328.8 Ų28.87%0.06815%0.153CC..Hα-helixtrans-55.9-45.8173.2177.863.2000112.4T133 L136 L137 V140 W741 L742 L749T133-L745 HydrophobicContact CG2-CD1 3.82Å; L136-L745 HydrophobicContact CB-CB 4.3Å; L136-L745 HydrophobicContact CB-CD1 3.86Å; L137-L745 HydrophobicContact CD1-CD2 4.13Å; V140-L745 HydrophobicContact CG2-CB 4.35Å; V140-L745 HydrophobicContact CG2-CD2 4.08Å; W741-L745 WeakPolarHBondContact O-CB 3.28Å; W741-L745 PolarHBondContact O-N 2.95Å; L742-L745 HydrophobicContact CD1-CD2 4.42Å; L742-L745 PolarHBondContact O-N 3.39Å; L745-L749 HydrophobicContact CD1-CD1 4.04Å; L745-L749 HydrophobicContact CD1-CG 4.31Å; L745-L749 HydrophobicContact CG-CD1 4.05Å; L745-L749 WeakPolarHBondContact O-CB 3.48Å; L745-L749 VanDerWaalsContact O-CG 3.27Å; L745-L749 WeakPolarHBondContact O-CG 3.15Å; L745-L749 PolarHBondContact O-N 2.91Å
746V90Very high83.4Confident51 Ų5129.7 Ų29.731%0.30916%0.158SC..Hα-helixtrans-66-44.2178.2167.50000111.6L742 G743 N744 F748 L749 V750 I859L742-V746 WeakPolarHBondContact O-CB 2.95Å; L742-V746 VanDerWaalsContact O-CG2 3.26Å; L742-V746 WeakPolarHBondContact O-CG2 3.23Å; L742-V746 PolarHBondContact O-N 3.34Å; G743-V746 PolarHBondContact O-N 3.5Å; N744-V746 PolarHBondContact O-N 3.4Å; V746-F748 PolarHBondContact O-N 2.69Å; V746-L749 PolarHBondContact O-N 2.86Å; V746-V750 HydrophobicContact CG1-CG2 4.41Å; V746-V750 WeakPolarHBondContact O-CB 3.32Å; V746-V750 VanDerWaalsContact O-CG2 3.3Å; V746-V750 WeakPolarHBondContact O-CG2 3.21Å; V746-V750 PolarHBondContact O-N 3.27Å; V746-I859 HydrophobicContact CB-CG1 4.44Å; V746-I859 HydrophobicContact CG1-CD1 4.25Å; V746-I859 HydrophobicContact CG1-CG1 4.28Å
747G85.1Confident82.6Confident0 Ų038.9 Ų38.90%020%0.198CC..Hα-helixtrans-61-44.4176.500000112.1G743 N744 V750 R751 G862 L863G743-G747 PolarHBondContact O-N 3.01Å; N744-G747 PolarHBondContact O-N 2.7Å; G747-V750 PolarHBondContact O-N 3.15Å; G747-R751 WeakPolarHBondContact O-CB 3.48Å; G747-R751 PolarHBondContact O-N 3.4Å; G747-G862 CarbonylContact C-O 3.54Å; G747-L863 WeakPolarHBondContact O-CD2 3.34Å
748F82.2Confident81.6Confident3 Ų344.7 Ų44.71%0.01322%0.223CC..Hα-helixtrans-62.2-46.2175.1-178.5-107.6000112.1T132 L136 N744 V746 R751 L752 G862T132-F748 HydrophobicContact CG2-CD1 4.41Å; T132-F748 HydrophobicContact CG2-CE1 3.71Å; T132-F748 HydrophobicContact CG2-CE2 3.94Å; T132-F748 HydrophobicContact CG2-CZ 3.44Å; T132-F748 VanDerWaalsContact CG2-CZ 3.44Å; L136-F748 HydrophobicContact CD1-CB 3.97Å; L136-F748 HydrophobicContact CD1-CD1 3.91Å; L136-F748 HydrophobicContact CD1-CG 3.96Å; N744-F748 WeakPolarHBondContact O-CB 3.35Å; N744-F748 PolarHBondContact O-N 3.4Å; V746-F748 PolarHBondContact O-N 2.69Å; F748-R751 WeakPolarHBondContact O-CB 3.47Å; F748-R751 PolarHBondContact O-N 3.43Å; F748-L752 HydrophobicContact CD1-CD1 3.97Å; F748-L752 HydrophobicContact CD1-CG 4.44Å; F748-L752 HydrophobicContact CE1-CD1 3.44Å; F748-L752 VanDerWaalsContact CE1-CD1 3.44Å; F748-L752 HydrophobicContact CE1-CG 4.12Å; F748-L752 HydrophobicContact CE2-CG 4.45Å; F748-L752 HydrophobicContact CZ-CD1 3.78Å; F748-L752 HydrophobicContact CZ-CD2 4.28Å; F748-L752 HydrophobicContact CZ-CG 4.12Å; F748-L752 WeakPolarHBondContact O-CG 3.44Å; F748-L752 PolarHBondContact O-N 3.14Å; F748-G862 PolarHBondContact N-O 2.67Å
749L84.3Confident80.5Confident65 Ų6546.9 Ų46.934%0.3423%0.232SC..Hα-helixtrans-63.2-42.4176.9-76171.1000112.5T133 L745 V746 R751 L752 L753T133-L749 HydrophobicContact CG2-CD2 3.89Å; T133-L749 HydrophobicContact CG2-CG 4.47Å; L745-L749 HydrophobicContact CD1-CD1 4.04Å; L745-L749 HydrophobicContact CD1-CG 4.31Å; L745-L749 HydrophobicContact CG-CD1 4.05Å; L745-L749 WeakPolarHBondContact O-CB 3.48Å; L745-L749 VanDerWaalsContact O-CG 3.27Å; L745-L749 WeakPolarHBondContact O-CG 3.15Å; L745-L749 PolarHBondContact O-N 2.91Å; V746-L749 PolarHBondContact O-N 2.86Å; L749-R751 VanDerWaalsContact C-N 3.34Å; L749-R751 PolarHBondContact O-N 2.76Å; L749-L752 PolarHBondContact O-N 2.94Å; L749-L753 WeakPolarHBondContact O-CB 3.46Å; L749-L753 VanDerWaalsContact O-CG 3.26Å; L749-L753 WeakPolarHBondContact O-CG 3.46Å; L749-L753 PolarHBondContact O-N 2.82Å
750V86.2Confident78.7Confident62 Ų6248.3 Ų48.338%0.37624%0.243SC..Hα-helixtrans-61.3-43.7174.7168.20000110.7V746 G747 L753 I754 L863V746-V750 HydrophobicContact CG1-CG2 4.41Å; V746-V750 WeakPolarHBondContact O-CB 3.32Å; V746-V750 VanDerWaalsContact O-CG2 3.3Å; V746-V750 WeakPolarHBondContact O-CG2 3.21Å; V746-V750 PolarHBondContact O-N 3.27Å; G747-V750 PolarHBondContact O-N 3.15Å; V750-L753 PolarHBondContact O-N 2.93Å; V750-I754 HydrophobicContact CG1-CD1 3.77Å; V750-I754 WeakPolarHBondContact O-CD1 3.38Å; V750-I754 VanDerWaalsContact O-CG1 3.26Å; V750-I754 WeakPolarHBondContact O-CG1 3.43Å; V750-I754 PolarHBondContact O-N 3.22Å; V750-L863 HydrophobicContact CB-CD2 4.35Å; V750-L863 HydrophobicContact CG1-CD2 4.07Å
751R78.7Confident76.6Confident10 Ų1051.7 Ų51.74%0.03826%0.261CS..Hα-helixtrans-60.4-45.6175.6-178.5169.2169.6-107.8-8.5111.9G747 F748 L749 I754 I755 I802 L863 S865 Y867G747-R751 WeakPolarHBondContact O-CB 3.48Å; G747-R751 PolarHBondContact O-N 3.4Å; F748-R751 WeakPolarHBondContact O-CB 3.47Å; F748-R751 PolarHBondContact O-N 3.43Å; L749-R751 VanDerWaalsContact C-N 3.34Å; L749-R751 PolarHBondContact O-N 2.76Å; R751-I754 PolarHBondContact O-N 2.84Å; R751-I755 HydrophobicContact CG-CD1 4.11Å; R751-I755 WeakPolarHBondContact O-CD1 3.48Å; R751-I755 VanDerWaalsContact O-CG1 3.29Å; R751-I755 WeakPolarHBondContact O-CG1 3.24Å; R751-I755 PolarHBondContact O-N 2.9Å; R751-I755 VanDerWaalsContact O-N 3.13Å; R751-I802 HydrophobicContact CG-CG2 4.28Å; R751-L863 HydrophobicContact CB-CD2 4.27Å; R751-L863 WeakPolarHBondContact CD-O 3.14Å; R751-S865 PolarHBondContact NE-O 3.26Å; R751-S865 PolarHBondContact NH1-O 3.28Å; R751-S865 PolarHBondContact NH1-OG 2.84Å; R751-S865 PolarHBondContact NH2-O 2.95Å; R751-S865 VanDerWaalsContact NH2-O 3.11Å; R751-Y867 PolarHBondContact NH1-O 3.47Å; R751-Y867 VanDerWaalsContact NH2-N 3.13Å; R751-Y867 PolarHBondContact NH2-O 3.1Å
752L74.6Confident74.7Confident15 Ų1553.7 Ų53.78%0.07927%0.272CS..Hα-helixtrans-62.3-45.6174.6-72.1-176.4000112.6Q129 F748 L749 I754 I755 N756Q129-L752 HydrophobicContact CB-CD1 3.89Å; Q129-L752 HydrophobicContact CB-CD2 4.16Å; Q129-L752 HydrophobicContact CG-CD2 3.85Å; F748-L752 HydrophobicContact CD1-CD1 3.97Å; F748-L752 HydrophobicContact CD1-CG 4.44Å; F748-L752 HydrophobicContact CE1-CD1 3.44Å; F748-L752 VanDerWaalsContact CE1-CD1 3.44Å; F748-L752 HydrophobicContact CE1-CG 4.12Å; F748-L752 HydrophobicContact CE2-CG 4.45Å; F748-L752 HydrophobicContact CZ-CD1 3.78Å; F748-L752 HydrophobicContact CZ-CD2 4.28Å; F748-L752 HydrophobicContact CZ-CG 4.12Å; F748-L752 WeakPolarHBondContact O-CG 3.44Å; F748-L752 PolarHBondContact O-N 3.14Å; L749-L752 PolarHBondContact O-N 2.94Å; L752-I754 VanDerWaalsContact C-N 3.34Å; L752-I754 PolarHBondContact O-N 3.14Å; L752-I755 PolarHBondContact O-N 3.41Å; L752-N756 WeakPolarHBondContact O-CB 3.39Å; L752-N756 VanDerWaalsContact O-CG 3.31Å; L752-N756 PolarHBondContact O-N 3.01Å
753L80.5Confident72.4Confident118 Ų11856.5 Ų56.562%0.61828%0.284SS*.Hα-helixtrans-61.6-40.4179.5-74.7168.2000112L749 V750 K757L749-L753 WeakPolarHBondContact O-CB 3.46Å; L749-L753 VanDerWaalsContact O-CG 3.26Å; L749-L753 WeakPolarHBondContact O-CG 3.46Å; L749-L753 PolarHBondContact O-N 2.82Å; V750-L753 PolarHBondContact O-N 2.93Å; L753-K757 WeakPolarHBondContact O-CB 3.11Å; L753-K757 PolarHBondContact O-N 2.86Å
754I78.2Confident69.9Low65 Ų6562.7 Ų62.733%0.33332%0.317SS..Hα-helixtrans-66.1-40.9176.3-65.9163.2000111.1V750 R751 L752 K758 I802V750-I754 HydrophobicContact CG1-CD1 3.77Å; V750-I754 WeakPolarHBondContact O-CD1 3.38Å; V750-I754 VanDerWaalsContact O-CG1 3.26Å; V750-I754 WeakPolarHBondContact O-CG1 3.43Å; V750-I754 PolarHBondContact O-N 3.22Å; R751-I754 PolarHBondContact O-N 2.84Å; L752-I754 VanDerWaalsContact C-N 3.34Å; L752-I754 PolarHBondContact O-N 3.14Å; I754-K758 VanDerWaalsContact O-CB 3.28Å; I754-K758 WeakPolarHBondContact O-CB 3.37Å; I754-K758 PolarHBondContact O-N 3.21Å; I754-I802 HydrophobicContact CB-CD1 4.27Å; I754-I802 HydrophobicContact CD1-CD1 4.49Å; I754-I802 HydrophobicContact CG2-CD1 3.6Å
755I69.2Low67.5Low28 Ų2865.6 Ų65.614%0.14433%0.333CS..Hα-helixtrans-65.8-54.3177.8-69.2166000110.3R751 L752 K757 K758 W759R751-I755 HydrophobicContact CG-CD1 4.11Å; R751-I755 WeakPolarHBondContact O-CD1 3.48Å; R751-I755 VanDerWaalsContact O-CG1 3.29Å; R751-I755 WeakPolarHBondContact O-CG1 3.24Å; R751-I755 PolarHBondContact O-N 2.9Å; R751-I755 VanDerWaalsContact O-N 3.13Å; L752-I755 PolarHBondContact O-N 3.41Å; I755-K757 PolarHBondContact O-N 3.28Å; I755-K758 PolarHBondContact O-N 3.37Å; I755-W759 PolarHBondContact O-N 2.9Å; I755-W759 VanDerWaalsContact O-N 3.11Å
756N67.2Low65Low75 Ų7567.2 Ų67.240%0.40134%0.341SS..Hα-helixtrans-67.6-39.4-173.5-65.9-7.7000112.1Q129 L752 K758Q129-N756 PolarHBondContact OE1-ND2 2.97Å; Q129-N756 VanDerWaalsContact OE1-ND2 3.12Å; L752-N756 WeakPolarHBondContact O-CB 3.39Å; L752-N756 VanDerWaalsContact O-CG 3.31Å; L752-N756 PolarHBondContact O-N 3.01Å; N756-K758 PolarHBondContact O-N 3.26Å
757K69.9Low62Low192 Ų19268.1 Ų68.184%0.83535%0.348SS*.Hα-helixtrans-70-28.5179.7-175.8170.1-178.8172.80113.8L753 I755L753-K757 WeakPolarHBondContact O-CB 3.11Å; L753-K757 PolarHBondContact O-N 2.86Å; I755-K757 PolarHBondContact O-N 3.28Å
758K62.9Low59.5Low124 Ų12469.3 Ų69.354%0.53936%0.36SS..Hα-helixtrans-106.8-13.6-168.8-170.8167.9171.71770114.2I754 I755 N756I754-K758 VanDerWaalsContact O-CB 3.28Å; I754-K758 WeakPolarHBondContact O-CB 3.37Å; I754-K758 PolarHBondContact O-N 3.21Å; I755-K758 PolarHBondContact O-N 3.37Å; N756-K758 PolarHBondContact O-N 3.26Å
759W61.3Low57.1Low47 Ų4774.7 Ų74.718%0.17839%0.388CS..  trans-140.464.9175.4-60.6-82.6000113.6I755 D761 I762 I798I755-W759 PolarHBondContact O-N 2.9Å; I755-W759 VanDerWaalsContact O-N 3.11Å; W759-D761 PolarHBondContact O-N 3.38Å; W759-I762 HydrophobicContact CB-CB 4.46Å; W759-I762 HydrophobicContact CB-CD1 3.54Å; W759-I762 HydrophobicContact CB-CG1 3.83Å; W759-I762 HydrophobicContact CG-CD1 4Å; W759-I762 PolarHBondContact O-N 3.19Å; W759-I798 HydrophobicContact CH2-CB 3.97Å; W759-I798 HydrophobicContact CH2-CD1 4.08Å; W759-I798 HydrophobicContact CH2-CG2 3.67Å; W759-I798 HydrophobicContact CZ2-CB 4.29Å; W759-I798 HydrophobicContact CZ2-CD1 3.67Å; W759-I798 HydrophobicContact CZ2-CG2 4.38Å
760P52.9Low54.5Low69 Ų6976.2 Ų76.245%0.44840%0.404SS..Hα-helixtrans-53.7-35.2166.424.4-33.8000111.5I762 Q763P760-I762 PolarHBondContact O-N 3.13Å; P760-Q763 WeakPolarHBondContact O-CA 3.32Å; P760-Q763 WeakPolarHBondContact O-CB 3.49Å; P760-Q763 PolarHBondContact O-N 3.32Å
761D43.8Very low51.8Low71 Ų7177.6 Ų77.638%0.3841%0.409SS..Hα-helixtrans-46.4-27.5171.6-75.945.9000116W759 Q763 D764 N765 K791W759-D761 PolarHBondContact O-N 3.38Å; D761-Q763 VanDerWaalsContact C-N 3.32Å; D761-D764 PolarHBondContact O-N 3.35Å; D761-N765 WeakPolarHBondContact O-CB 3.48Å; D761-N765 PolarHBondContact O-N 3.16Å; D761-N765 VanDerWaalsContact O-N 3.13Å; D761-N765 PolarHBondContact O-ND2 3.27Å; D761-K791 IonicContact OD2-NZ 3.9Å; D761-K791 PolarHBondContact OD2-NZ 2.77Å
762I48.9Very low49.8Very low56 Ų5682.4 Ų82.429%0.28745%0.445SS..Hα-helixtrans-71.1-32.6177.5-69.8172.1000110.5W759 P760 D764 L766W759-I762 HydrophobicContact CB-CB 4.46Å; W759-I762 HydrophobicContact CB-CD1 3.54Å; W759-I762 HydrophobicContact CB-CG1 3.83Å; W759-I762 HydrophobicContact CG-CD1 4Å; W759-I762 PolarHBondContact O-N 3.19Å; P760-I762 PolarHBondContact O-N 3.13Å; I762-D764 VanDerWaalsContact C-N 3.3Å; I762-D764 PolarHBondContact O-N 3.43Å; I762-L766 HydrophobicContact CG2-CD1 4.09Å; I762-L766 WeakPolarHBondContact O-CD1 3.1Å; I762-L766 PolarHBondContact O-N 3Å
763Q42Very low47.9Very low118 Ų11889.5 Ų89.555%0.55148%0.477SS*.Hα-helixtrans-64.8-34.7176.6-160.2166.9-31.400111.6P760 D761P760-Q763 WeakPolarHBondContact O-CA 3.32Å; P760-Q763 WeakPolarHBondContact O-CB 3.49Å; P760-Q763 PolarHBondContact O-N 3.32Å; D761-Q763 VanDerWaalsContact C-N 3.32Å
764D35.9Very low45.9Very low130 Ų13089.1 Ų89.170%0.69548%0.475SS*.Hα-helixtrans-92.3-16-178.2-58-34.4000114.5D761 I762D761-D764 PolarHBondContact O-N 3.35Å; I762-D764 VanDerWaalsContact C-N 3.3Å; I762-D764 PolarHBondContact O-N 3.43Å
765N36.5Very low43.9Very low66 Ų6694 Ų9435%0.35350%0.501SS..Hα-helixtrans-105.33.9-176.7-76.4-93.6000114.5D761 N788D761-N765 WeakPolarHBondContact O-CB 3.48Å; D761-N765 PolarHBondContact O-N 3.16Å; D761-N765 VanDerWaalsContact O-N 3.13Å; D761-N765 PolarHBondContact O-ND2 3.27Å; N765-N788 PolarHBondContact OD1-ND2 3.47Å
766L34.4Very low42.4Very low46 Ų4697.5 Ų97.524%0.24153%0.528CS..SBendtrans-84.6118.2164-98.665.7000109I762 G768 T877I762-L766 HydrophobicContact CG2-CD1 4.09Å; I762-L766 WeakPolarHBondContact O-CD1 3.1Å; I762-L766 PolarHBondContact O-N 3Å; L766-G768 PolarHBondContact O-N 3.24Å; L766-T877 HydrophobicContact CD2-CG2 3.7Å
767P27.6Very low41Very low71 Ų71101 Ų10146%0.46154%0.54SS..  trans-76.886.1-173.627.8-30.7000111.6T878P767-T878 VanDerWaalsContact CD-OG1 3.31Å; P767-T878 WeakPolarHBondContact CD-OG1 3.36Å; P767-T878 WeakPolarHBondContact CG-OG1 3.36Å; P767-T878 PolarHBondContact O-OG1 2.88Å; P767-T878 VanDerWaalsContact O-OG1 3.14Å
768G31.5Very low39.4Very low25 Ų2595 Ų9526%0.25853%0.533SS..  trans-100.815.1167.300000113.9R123 L766R123-G768 WeakPolarHBondContact CG-O 3.37Å; R123-G768 PolarHBondContact NE-O 3.4Å; R123-G768 VanDerWaalsContact NE-O 3.11Å; L766-G768 PolarHBondContact O-N 3.24Å
769I32.7Very low38.3Very low115 Ų11596.2 Ų96.259%0.5954%0.543SS*.SBendtrans-106.7110.7171.5-57.6-177000108.4N771I769-N771 PolarHBondContact O-N 3.38Å; I769-N771 VanDerWaalsContact O-N 3.08Å
770S30.5Very low37.1Very low97 Ų97103.7 Ų103.768%0.67857%0.573SS**  trans-75.880.3-179.449.50000112S772S770-S772 PolarHBondContact O-N 3.36Å
771N29.2Very low36.8Very low92 Ų92103.3 Ų103.349%0.49257%0.572SS.*  trans-89.280.8158.6-77.358.3000108.6I769 Q773 L774I769-N771 PolarHBondContact O-N 3.38Å; I769-N771 VanDerWaalsContact O-N 3.08Å; N771-Q773 PolarHBondContact O-N 2.96Å; N771-L774 HydrophobicContact CB-CB 4.06Å; N771-L774 HydrophobicContact CB-CD1 3.99Å; N771-L774 HydrophobicContact CB-CG 4.34Å; N771-L774 WeakPolarHBondContact O-CB 3.39Å; N771-L774 PolarHBondContact O-N 3.01Å
772S35.3Very low36.8Very low111 Ų111104.9 Ų104.978%0.77658%0.584SS**G310 helixtrans-54.3-29.617241.40000112.4S770 L774S770-S772 PolarHBondContact O-N 3.36Å; S772-L774 VanDerWaalsContact C-N 3.27Å; S772-L774 PolarHBondContact O-N 3.04Å
773Q36.3Very low36.2Very low164 Ų164112.6 Ų112.677%0.76661%0.61SS**G310 helixtrans-68.5-11.4174-65.9178-1500115.3N771 S776N771-Q773 PolarHBondContact O-N 2.96Å; Q773-S776 PolarHBondContact O-OG 3.19Å; Q773-S776 VanDerWaalsContact O-OG 3.04Å
774L37Very low36.1Very low109 Ų109115 Ų11557%0.57162%0.618SS**G310 helixtrans-83.9-7.7-173.9-114.7170.3000114.7N771 S772 S776N771-L774 HydrophobicContact CB-CB 4.06Å; N771-L774 HydrophobicContact CB-CD1 3.99Å; N771-L774 HydrophobicContact CB-CG 4.34Å; N771-L774 WeakPolarHBondContact O-CB 3.39Å; N771-L774 PolarHBondContact O-N 3.01Å; S772-L774 VanDerWaalsContact C-N 3.27Å; S772-L774 PolarHBondContact O-N 3.04Å; L774-S776 VanDerWaalsContact C-N 3.25Å; L774-S776 PolarHBondContact O-N 3.03Å
775L38Very low36.1Very low167 Ų167112.7 Ų112.787%0.87460%0.603SS**G310 helixtrans-69.9-20.7177.7-12774.3000113.3K777L775-K777 VanDerWaalsContact C-N 3.33Å; L775-K777 PolarHBondContact O-N 2.89Å
776S37.6Very low36.1Very low103 Ų103116.1 Ų116.172%0.7261%0.611SS**G310 helixtrans-74.9-13.8-179.960.60000114.6Q773 L774 G778Q773-S776 PolarHBondContact O-OG 3.19Å; Q773-S776 VanDerWaalsContact O-OG 3.04Å; L774-S776 VanDerWaalsContact C-N 3.25Å; L774-S776 PolarHBondContact O-N 3.03Å; S776-G778 PolarHBondContact O-N 2.99Å
777K36.2Very low36.3Very low148 Ų148123.1 Ų123.164%0.64363%0.634SS**  trans-103.455.5-178.2-77.5-179.9175.11690112.9L775 I779 Y780L775-K777 VanDerWaalsContact C-N 3.33Å; L775-K777 PolarHBondContact O-N 2.89Å; K777-I779 PolarHBondContact O-N 2.96Å; K777-Y780 PolarHBondContact O-N 3.39Å
778G37.3Very low36.9Very low66 Ų66121.5 Ų121.568%0.6862%0.622SS**THydrogen-bonded Turntrans-55.8-15.5-173.500000117.3S776S776-G778 PolarHBondContact O-N 2.99Å
779I40.2Very low37.1Very low149 Ų149126 Ų12676%0.76463%0.632SS**THydrogen-bonded Turntrans-93-26.1-172.1-61.3176.9000113.4K777K777-I779 PolarHBondContact O-N 2.96Å
780Y35.5Very low37.4Very low204 Ų204122.2 Ų122.280%0.862%0.618SS**SBendtrans-92.2-8.1-169.5-86.6-92.4000116.1K777 T782K777-Y780 PolarHBondContact O-N 3.39Å; Y780-T782 PolarHBondContact O-N 3.02Å
781S45.6Very low38.3Very low62 Ų62122.4 Ų122.443%0.43461%0.606SS.*  trans-69.7-34.3-170.9-175.30000114.8R783 K784 H785S781-R783 VanDerWaalsContact C-N 3.33Å; S781-R783 PolarHBondContact O-N 3.23Å; S781-R783 VanDerWaalsContact O-N 3.1Å; S781-K784 PolarHBondContact O-N 3.44Å; S781-H785 PolarHBondContact O-N 3.01Å
782T44Very low39.8Very low103 Ų103120.3 Ų120.363%0.63260%0.595SS**Hα-helixtrans-58.6-34.5-162.862.10000115Y780 R786Y780-T782 PolarHBondContact O-N 3.02Å; T782-R786 WeakPolarHBondContact O-CB 3.27Å; T782-R786 PolarHBondContact O-N 2.97Å
783R36.8Very low41Very low218 Ų218116 Ų11682%0.82357%0.565SS**Hα-helixtrans-74.2-31.8178.8-80.7-174175.7-176.70.3113.7S781S781-R783 VanDerWaalsContact C-N 3.33Å; S781-R783 PolarHBondContact O-N 3.23Å; S781-R783 VanDerWaalsContact O-N 3.1Å
784K39.8Very low42.5Very low169 Ų169115.1 Ų115.174%0.73556%0.558SS**Hα-helixtrans-73.6-50.2174.2-87.3-171.5174.1-176.80110.4S781 R786 R787 N788S781-K784 PolarHBondContact O-N 3.44Å; K784-R786 VanDerWaalsContact C-N 3.27Å; K784-R786 PolarHBondContact O-N 3.44Å; K784-R787 PolarHBondContact O-N 3.2Å; K784-N788 PolarHBondContact O-N 2.98Å; K784-N788 VanDerWaalsContact O-N 3.09Å
785H36.3Very low43.9Very low82 Ų82110.3 Ų110.338%0.3853%0.534SS..Hα-helixtrans-53.1-43.3177.9-115.3-62.1000112.7S781 R787 N788 Y789S781-H785 PolarHBondContact O-N 3.01Å; H785-R787 VanDerWaalsContact C-N 3.33Å; H785-R787 PolarHBondContact O-N 3.29Å; H785-N788 PolarHBondContact O-N 3.35Å; H785-Y789 PolarHBondContact O-N 2.79Å
786R36.6Very low45.3Very low137 Ų137103.3 Ų103.352%0.51750%0.499SS..Hα-helixtrans-71.7-20.9-179-155.4173.8-168.6-142.8-1114.1T782 K784T782-R786 WeakPolarHBondContact O-CB 3.27Å; T782-R786 PolarHBondContact O-N 2.97Å; K784-R786 VanDerWaalsContact C-N 3.27Å; K784-R786 PolarHBondContact O-N 3.44Å
787R37.4Very low47Very low193 Ų193100 Ų10073%0.72847%0.473SS*.Hα-helixtrans-77.9-41.8168.8-76.9-177.2175.5178.4-1.1111.2K784 H785 A790 K791K784-R787 PolarHBondContact O-N 3.2Å; H785-R787 VanDerWaalsContact C-N 3.33Å; H785-R787 PolarHBondContact O-N 3.29Å; R787-A790 PolarHBondContact O-N 2.82Å; R787-K791 PolarHBondContact O-N 3.41Å; R787-K791 VanDerWaalsContact O-N 3.15Å
788N41.4Very low49Very low38 Ų3895.6 Ų95.620%0.20346%0.455CS..Hα-helixtrans-67.5-41.3-179.4-70.920000111.3N765 K784 H785 A790 K791 N792N765-N788 PolarHBondContact OD1-ND2 3.47Å; K784-N788 PolarHBondContact O-N 2.98Å; K784-N788 VanDerWaalsContact O-N 3.09Å; H785-N788 PolarHBondContact O-N 3.35Å; N788-A790 VanDerWaalsContact C-N 3.28Å; N788-A790 PolarHBondContact O-N 3.24Å; N788-K791 PolarHBondContact O-N 2.89Å; N788-K791 VanDerWaalsContact O-N 3.09Å; N788-N792 PolarHBondContact O-N 3.3Å; N788-N792 PolarHBondContact O-OD1 2.86Å
789Y34.6Very low50.8Low120 Ų12094 Ų9447%0.47143%0.431SS..Hα-helixtrans-52.2-44.1170.6-113.4-77000113H785 K791 N792 T793 L880H785-Y789 PolarHBondContact O-N 2.79Å; Y789-K791 PolarHBondContact O-N 3.29Å; Y789-N792 PolarHBondContact O-N 2.96Å; Y789-T793 PolarHBondContact O-N 2.88Å; Y789-L880 HydrophobicContact CD1-CD2 4.22Å; Y789-L880 HydrophobicContact CD2-CD2 3.62Å; Y789-L880 HydrophobicContact CE1-CD2 4.24Å; Y789-L880 HydrophobicContact CE2-CD2 3.63Å; Y789-L880 HydrophobicContact CE2-CG 4.35Å; Y789-L880 HydrophobicContact CG-CD2 3.92Å
790A39Very low52.6Low35 Ų3587 Ų8729%0.28940%0.396SS..Hα-helixtrans-76.8-16.6-178.700000114.5R787 N788R787-A790 PolarHBondContact O-N 2.82Å; N788-A790 VanDerWaalsContact C-N 3.28Å; N788-A790 PolarHBondContact O-N 3.24Å
791K51Low54.9Low100 Ų10080.2 Ų80.244%0.43538%0.377SS..Hα-helixtrans-77.2-44.1163.3-74.8-172.2176.1-177.40110.2D761 R787 N788 Y789 T793 K794 S795D761-K791 IonicContact OD2-NZ 3.9Å; D761-K791 PolarHBondContact OD2-NZ 2.77Å; R787-K791 PolarHBondContact O-N 3.41Å; R787-K791 VanDerWaalsContact O-N 3.15Å; N788-K791 PolarHBondContact O-N 2.89Å; N788-K791 VanDerWaalsContact O-N 3.09Å; Y789-K791 PolarHBondContact O-N 3.29Å; K791-T793 PolarHBondContact O-N 2.84Å; K791-K794 PolarHBondContact O-N 2.64Å; K791-S795 PolarHBondContact O-N 3.16Å; K791-S795 VanDerWaalsContact O-N 3.1Å
792N59.2Low56.8Low48 Ų4878.2 Ų78.226%0.25736%0.362SS..Hα-helixtrans-66.7-37.1-174.1-71.219.8000113.1N788 Y789 K794 S795 S796N788-N792 PolarHBondContact O-N 3.3Å; N788-N792 PolarHBondContact O-OD1 2.86Å; Y789-N792 PolarHBondContact O-N 2.96Å; N792-K794 VanDerWaalsContact C-N 3.33Å; N792-K794 PolarHBondContact O-N 2.99Å; N792-S795 PolarHBondContact O-N 3.33Å; N792-S796 WeakPolarHBondContact O-CB 3.38Å; N792-S796 PolarHBondContact O-N 3.42Å
793T61.1Low58.7Low22 Ų2273.6 Ų73.614%0.13533%0.333CS..Hα-helixtrans-62.3-38.7173.860.50000112.4Y789 K791 S796 I797 N945Y789-T793 PolarHBondContact O-N 2.88Å; K791-T793 PolarHBondContact O-N 2.84Å; T793-S796 PolarHBondContact O-N 3.4Å; T793-I797 WeakPolarHBondContact O-CD1 3.35Å; T793-I797 VanDerWaalsContact O-CG1 3.28Å; T793-I797 WeakPolarHBondContact O-CG1 3.46Å; T793-I797 PolarHBondContact O-N 2.91Å; T793-N945 WeakPolarHBondContact CB-OD1 3.15Å; T793-N945 PolarHBondContact OG1-OD1 3.38Å
794K68.3Low61.2Low144 Ų14464.6 Ų64.663%0.62630%0.301SS*.Hα-helixtrans-66.9-39.6176.1-70.1-171.5175.8-171.10112.5K791 N792 I798K791-K794 PolarHBondContact O-N 2.64Å; N792-K794 VanDerWaalsContact C-N 3.33Å; N792-K794 PolarHBondContact O-N 2.99Å; K794-I798 WeakPolarHBondContact O-CG1 3.48Å; K794-I798 PolarHBondContact O-N 2.84Å
795S66.1Low63.6Low9 Ų959.7 Ų59.76%0.06329%0.287CS..Hα-helixtrans-65.2-48.3174.6-178.50000111K791 N792 I797 I798 I799K791-S795 PolarHBondContact O-N 3.16Å; K791-S795 VanDerWaalsContact O-N 3.1Å; N792-S795 PolarHBondContact O-N 3.33Å; S795-I797 PolarHBondContact O-N 2.88Å; S795-I798 PolarHBondContact O-N 3.47Å; S795-I799 WeakPolarHBondContact O-CG1 3.19Å; S795-I799 PolarHBondContact O-N 3.3Å
796S66.9Low66.1Low20 Ų2055.8 Ų55.814%0.1427%0.269CS..Hα-helixtrans-55.3-45.1177.4177.60000113.1N792 T793 I798 I799 T800N792-S796 WeakPolarHBondContact O-CB 3.38Å; N792-S796 PolarHBondContact O-N 3.42Å; T793-S796 PolarHBondContact O-N 3.4Å; S796-I798 VanDerWaalsContact C-N 3.28Å; S796-I798 PolarHBondContact O-N 3.38Å; S796-I799 PolarHBondContact O-N 3.03Å; S796-T800 WeakPolarHBondContact O-CG2 3.22Å; S796-T800 PolarHBondContact O-N 3.09Å; S796-T800 PolarHBondContact O-OG1 2.91Å
797I74.7Confident68.7Low33 Ų3349.3 Ų49.317%0.16925%0.245CC..Hα-helixtrans-59.7-37.7176-71.9166.2000111.8T793 S795 T800 S801 F938 V941 N945T793-I797 WeakPolarHBondContact O-CD1 3.35Å; T793-I797 VanDerWaalsContact O-CG1 3.28Å; T793-I797 WeakPolarHBondContact O-CG1 3.46Å; T793-I797 PolarHBondContact O-N 2.91Å; S795-I797 PolarHBondContact O-N 2.88Å; I797-T800 WeakPolarHBondContact CA-OG1 3.48Å; I797-T800 PolarHBondContact O-OG1 3.32Å; I797-S801 WeakPolarHBondContact O-CB 3.19Å; I797-S801 PolarHBondContact O-N 3.32Å; I797-F938 HydrophobicContact CG2-CE2 4.09Å; I797-V941 HydrophobicContact CG1-CG1 3.78Å; I797-N945 HydrophobicContact CD1-CB 3.99Å; I797-N945 WeakPolarHBondContact CD1-ND2 3.32Å
798I76.5Confident71.3Confident55 Ų5545 Ų4528%0.28223%0.232SC..Hα-helixtrans-81.3-34.5-178.6-61.3163.3000111.3W759 K794 S795 S796 S801 I802W759-I798 HydrophobicContact CH2-CB 3.97Å; W759-I798 HydrophobicContact CH2-CD1 4.08Å; W759-I798 HydrophobicContact CH2-CG2 3.67Å; W759-I798 HydrophobicContact CZ2-CB 4.29Å; W759-I798 HydrophobicContact CZ2-CD1 3.67Å; W759-I798 HydrophobicContact CZ2-CG2 4.38Å; K794-I798 WeakPolarHBondContact O-CG1 3.48Å; K794-I798 PolarHBondContact O-N 2.84Å; S795-I798 PolarHBondContact O-N 3.47Å; S796-I798 VanDerWaalsContact C-N 3.28Å; S796-I798 PolarHBondContact O-N 3.38Å; I798-S801 WeakPolarHBondContact O-CB 3.33Å; I798-S801 PolarHBondContact O-N 3.38Å; I798-I802 HydrophobicContact CG2-CD1 4.36Å; I798-I802 WeakPolarHBondContact O-CG1 3.46Å; I798-I802 PolarHBondContact O-N 2.91Å
799I75.4Confident73.8Confident32 Ų3245.4 Ų45.416%0.16423%0.233CC..Hα-helixtrans-59.8-47.2170.6-67.1165.8000110.1S795 S796 S801 I802 Q803S795-I799 WeakPolarHBondContact O-CG1 3.19Å; S795-I799 PolarHBondContact O-N 3.3Å; S796-I799 PolarHBondContact O-N 3.03Å; I799-S801 VanDerWaalsContact C-N 3.3Å; I799-S801 PolarHBondContact O-N 3.29Å; I799-I802 PolarHBondContact O-N 3.31Å; I799-Q803 WeakPolarHBondContact O-CG 3.24Å; I799-Q803 PolarHBondContact O-N 3.49Å
800T77.4Confident76.5Confident4 Ų439.7 Ų39.73%0.02521%0.211CC..Hα-helixtrans-65.9-30.3176.650.60000113S796 I797 Q803 L804 H937S796-T800 WeakPolarHBondContact O-CG2 3.22Å; S796-T800 PolarHBondContact O-N 3.09Å; S796-T800 PolarHBondContact O-OG1 2.91Å; I797-T800 WeakPolarHBondContact CA-OG1 3.48Å; I797-T800 PolarHBondContact O-OG1 3.32Å; T800-Q803 PolarHBondContact O-N 2.93Å; T800-L804 VanDerWaalsContact O-CB 3.3Å; T800-L804 WeakPolarHBondContact O-CB 3.46Å; T800-L804 PolarHBondContact O-N 3.11Å; T800-H937 VanDerWaalsContact CG2-CE1 3.49Å; T800-H937 WeakPolarHBondContact CG2-CE1 3.24Å; T800-H937 WeakPolarHBondContact CG2-ND1 3.44Å
801S84.5Confident79.1Confident60 Ų6039.4 Ų39.442%0.4220%0.204SC..Hα-helixtrans-68.4-37171.5-171.80000113.4I797 I798 I799 C805I797-S801 WeakPolarHBondContact O-CB 3.19Å; I797-S801 PolarHBondContact O-N 3.32Å; I798-S801 WeakPolarHBondContact O-CB 3.33Å; I798-S801 PolarHBondContact O-N 3.38Å; I799-S801 VanDerWaalsContact C-N 3.3Å; I799-S801 PolarHBondContact O-N 3.29Å; S801-C805 PolarHBondContact O-N 2.86Å
802I84.9Confident81.1Confident20 Ų2040.2 Ų40.210%0.10321%0.212CC..Hα-helixtrans-65.3-42.9172.5-65.2160.4000110.1R751 I754 I798 I799 C805 G806 L863R751-I802 HydrophobicContact CG-CG2 4.28Å; I754-I802 HydrophobicContact CB-CD1 4.27Å; I754-I802 HydrophobicContact CD1-CD1 4.49Å; I754-I802 HydrophobicContact CG2-CD1 3.6Å; I798-I802 HydrophobicContact CG2-CD1 4.36Å; I798-I802 WeakPolarHBondContact O-CG1 3.46Å; I798-I802 PolarHBondContact O-N 2.91Å; I799-I802 PolarHBondContact O-N 3.31Å; I802-C805 WeakPolarHBondContact O-CB 3.5Å; I802-C805 PolarHBondContact O-N 2.93Å; I802-G806 PolarHBondContact O-N 2.91Å; I802-L863 HydrophobicContact CG2-CD2 3.98Å
803Q85.1Confident82.6Confident6 Ų638.2 Ų38.23%0.02820%0.202CC..Hα-helixtrans-64.7-42178.1-67.8169.8-41.100112.3I799 T800 C805 G806 C807 L863 S865 S866 F934I799-Q803 WeakPolarHBondContact O-CG 3.24Å; I799-Q803 PolarHBondContact O-N 3.49Å; T800-Q803 PolarHBondContact O-N 2.93Å; Q803-C805 VanDerWaalsContact C-N 3.29Å; Q803-C805 PolarHBondContact O-N 2.92Å; Q803-G806 WeakPolarHBondContact O-CA 3.3Å; Q803-G806 PolarHBondContact O-N 3.09Å; Q803-G806 VanDerWaalsContact O-N 3.14Å; Q803-C807 PolarHBondContact O-N 3.48Å; Q803-C807 PolarHBondContact O-SG 3.44Å; Q803-L863 WeakPolarHBondContact CA-O 3.38Å; Q803-S865 PolarHBondContact NE2-O 3.03Å; Q803-S866 PolarHBondContact NE2-OG 3.46Å; Q803-F934 HydrophobicContact CB-CD1 4.05Å; Q803-F934 HydrophobicContact CB-CE1 3.84Å; Q803-F934 HydrophobicContact CB-CZ 4.27Å; Q803-F934 HydrophobicContact CG-CE1 4.27Å
804L88.3Confident84Confident30 Ų3037.1 Ų37.116%0.15720%0.195CC..Hα-helixtrans-58.9-40.1173.2-17176.1000111.6T800 C807 F808 F934 I935T800-L804 VanDerWaalsContact O-CB 3.3Å; T800-L804 WeakPolarHBondContact O-CB 3.46Å; T800-L804 PolarHBondContact O-N 3.11Å; L804-C807 WeakPolarHBondContact O-CB 3.43Å; L804-C807 PolarHBondContact O-N 2.92Å; L804-F808 HydrophobicContact CD1-CE2 4.27Å; L804-F808 HydrophobicContact CD2-CE2 3.89Å; L804-F808 HydrophobicContact CG-CD2 4.14Å; L804-F808 HydrophobicContact CG-CE2 3.66Å; L804-F808 HydrophobicContact CG-CZ 4.44Å; L804-F808 WeakPolarHBondContact O-CD2 3.44Å; L804-F808 PolarHBondContact O-N 2.88Å; L804-F934 HydrophobicContact CD1-CB 4.45Å; L804-I935 HydrophobicContact CD1-CD1 4.45Å; L804-I935 HydrophobicContact CD1-CG1 3.57Å
805C91.4Very high85Confident66 Ų6633.5 Ų33.545%0.44618%0.182SC..Hα-helixtrans-62-44.4173.4-170.40000111.9S801 I802 Q803 C807 F808 I809S801-C805 PolarHBondContact O-N 2.86Å; I802-C805 WeakPolarHBondContact O-CB 3.5Å; I802-C805 PolarHBondContact O-N 2.93Å; Q803-C805 VanDerWaalsContact C-N 3.29Å; Q803-C805 PolarHBondContact O-N 2.92Å; C805-C807 VanDerWaalsContact C-N 3.33Å; C805-C807 PolarHBondContact O-N 3.29Å; C805-F808 PolarHBondContact O-N 2.73Å; C805-I809 WeakPolarHBondContact O-CG1 3.42Å; C805-I809 PolarHBondContact O-N 3.3Å
806G89Confident86.1Confident0 Ų034.7 Ų34.70%019%0.193CC..Hα-helixtrans-55.7-45.1171.700000113.1I802 Q803 F808 I809 C810 G860I802-G806 PolarHBondContact O-N 2.91Å; Q803-G806 WeakPolarHBondContact O-CA 3.3Å; Q803-G806 PolarHBondContact O-N 3.09Å; Q803-G806 VanDerWaalsContact O-N 3.14Å; G806-F808 PolarHBondContact O-N 2.91Å; G806-I809 WeakPolarHBondContact O-CB 3.48Å; G806-I809 PolarHBondContact O-N 2.64Å; G806-I809 VanDerWaalsContact O-N 3.14Å; G806-C810 PolarHBondContact O-N 3.42Å; G806-G860 CarbonylContact C-O 3.53Å; G806-G860 VanDerWaalsContact CA-O 3.3Å; G806-G860 WeakPolarHBondContact CA-O 3.49Å; G806-G860 WeakPolarHBondContact O-CA 3.33Å
807C90.9Very high86.9Confident0 Ų033.8 Ų33.80%019%0.186CC..Hα-helixtrans-63-40.5177.6-61.30000113Q803 L804 C805 I809 C810 I811 S864 S931 F934Q803-C807 PolarHBondContact O-N 3.48Å; Q803-C807 PolarHBondContact O-SG 3.44Å; L804-C807 WeakPolarHBondContact O-CB 3.43Å; L804-C807 PolarHBondContact O-N 2.92Å; C805-C807 VanDerWaalsContact C-N 3.33Å; C805-C807 PolarHBondContact O-N 3.29Å; C807-I809 VanDerWaalsContact C-N 3.34Å; C807-I809 PolarHBondContact O-N 3.03Å; C807-C810 WeakPolarHBondContact O-CB 3.16Å; C807-C810 PolarHBondContact O-N 3.07Å; C807-I811 PolarHBondContact O-N 3.43Å; C807-S864 VanDerWaalsContact SG-CB 3.54Å; C807-S931 WeakPolarHBondContact CB-OG 3.37Å; C807-F934 WeakPolarHBondContact SG-CD2 3.18Å
808F92.6Very high87.4Confident103 Ų10332.8 Ų32.845%0.45218%0.182SC..Hα-helixtrans-63.6-38.4173.1-75-57000112.2L804 C805 G806 I811 I812L804-F808 HydrophobicContact CD1-CE2 4.27Å; L804-F808 HydrophobicContact CD2-CE2 3.89Å; L804-F808 HydrophobicContact CG-CD2 4.14Å; L804-F808 HydrophobicContact CG-CE2 3.66Å; L804-F808 HydrophobicContact CG-CZ 4.44Å; L804-F808 WeakPolarHBondContact O-CD2 3.44Å; L804-F808 PolarHBondContact O-N 2.88Å; C805-F808 PolarHBondContact O-N 2.73Å; G806-F808 PolarHBondContact O-N 2.91Å; F808-I811 PolarHBondContact O-N 2.91Å; F808-I812 VanDerWaalsContact O-CG1 3.28Å; F808-I812 WeakPolarHBondContact O-CG1 3.36Å; F808-I812 PolarHBondContact O-N 2.82Å
809I93.3Very high87.7Confident46 Ų4638.2 Ų38.224%0.23620%0.2CC..Hα-helixtrans-64.8-41.6174.7-65.6162.7000110.6C805 G806 C807 I811 I812 S813 C856 I859 L863C805-I809 WeakPolarHBondContact O-CG1 3.42Å; C805-I809 PolarHBondContact O-N 3.3Å; G806-I809 WeakPolarHBondContact O-CB 3.48Å; G806-I809 PolarHBondContact O-N 2.64Å; G806-I809 VanDerWaalsContact O-N 3.14Å; C807-I809 VanDerWaalsContact C-N 3.34Å; C807-I809 PolarHBondContact O-N 3.03Å; I809-I811 PolarHBondContact O-N 2.92Å; I809-I812 PolarHBondContact O-N 3.49Å; I809-S813 WeakPolarHBondContact O-CB 3.38Å; I809-S813 PolarHBondContact O-N 2.95Å; I809-C856 HydrophobicContact CG2-CB 4.39Å; I809-C856 WeakPolarHBondContact CG2-O 3.38Å; I809-I859 HydrophobicContact CD1-CG2 4.43Å; I809-L863 HydrophobicContact CD1-CD1 3.72Å
810C91.7Very high87.8Confident0 Ų037.8 Ų37.80%020%0.198CC..Hα-helixtrans-57.7-46.7171.6-720000112.1G806 C807 S814 F857 G860 I861 M930G806-C810 PolarHBondContact O-N 3.42Å; C807-C810 WeakPolarHBondContact O-CB 3.16Å; C807-C810 PolarHBondContact O-N 3.07Å; C810-S814 VanDerWaalsContact O-CB 3.24Å; C810-S814 WeakPolarHBondContact O-CB 3.47Å; C810-S814 PolarHBondContact O-N 3.36Å; C810-S814 PolarHBondContact O-OG 3.3Å; C810-F857 HydrophobicContact CB-CD2 4.25Å; C810-F857 HydrophobicContact CB-CE2 3.97Å; C810-G860 VanDerWaalsContact SG-CA 3.54Å; C810-I861 PolarHBondContact SG-N 3.12Å; C810-I861 VanDerWaalsContact SG-N 3.43Å; C810-M930 HydrophobicContact CB-CE 4.09Å
811I92.7Very high87.6Confident30 Ų3038 Ų3815%0.15420%0.199CC..Hα-helixtrans-60.6-53.4176.4-72.6179.3000110.9C807 F808 I809 S813 S814 I815 I928 S931C807-I811 PolarHBondContact O-N 3.43Å; F808-I811 PolarHBondContact O-N 2.91Å; I809-I811 PolarHBondContact O-N 2.92Å; I811-S813 VanDerWaalsContact C-N 3.3Å; I811-S813 PolarHBondContact O-N 3.12Å; I811-S814 PolarHBondContact O-N 3.06Å; I811-S814 VanDerWaalsContact O-N 3.15Å; I811-I815 HydrophobicContact CG2-CD1 3.61Å; I811-I815 HydrophobicContact CG2-CG1 4.24Å; I811-I815 WeakPolarHBondContact O-CB 3.42Å; I811-I815 VanDerWaalsContact O-CG1 3.3Å; I811-I815 WeakPolarHBondContact O-CG1 3.32Å; I811-I815 PolarHBondContact O-N 2.95Å; I811-I928 HydrophobicContact CD1-CG1 4Å; I811-I928 HydrophobicContact CG1-CG1 4.19Å; I811-S931 WeakPolarHBondContact CD1-OG 3.46Å
812I92.8Very high86.9Confident116 Ų11640.2 Ų40.260%0.59520%0.204SC*.Hα-helixtrans-60.1-42.6-175.3-69164.8000110.6F808 I809 I815 A816F808-I812 VanDerWaalsContact O-CG1 3.28Å; F808-I812 WeakPolarHBondContact O-CG1 3.36Å; F808-I812 PolarHBondContact O-N 2.82Å; I809-I812 PolarHBondContact O-N 3.49Å; I812-I815 PolarHBondContact O-N 3.46Å; I812-A816 PolarHBondContact O-N 2.93Å; I812-A816 VanDerWaalsContact O-N 3.09Å
813S91.5Very high85.9Confident6 Ų643.2 Ų43.24%0.04223%0.227CC..Hα-helixtrans-67-45.2174.8-175.10000112.4I809 I811 I815 A816 L817 G853I809-S813 WeakPolarHBondContact O-CB 3.38Å; I809-S813 PolarHBondContact O-N 2.95Å; I811-S813 VanDerWaalsContact C-N 3.3Å; I811-S813 PolarHBondContact O-N 3.12Å; S813-I815 VanDerWaalsContact C-N 3.25Å; S813-I815 PolarHBondContact O-N 2.78Å; S813-A816 PolarHBondContact O-N 3.39Å; S813-L817 WeakPolarHBondContact O-CB 3.36Å; S813-L817 VanDerWaalsContact O-CG 3.29Å; S813-L817 WeakPolarHBondContact O-CG 3.38Å; S813-L817 PolarHBondContact O-N 3.41Å; S813-G853 WeakPolarHBondContact OG-CA 3.4Å; S813-G853 PolarHBondContact OG-O 2.69Å
814S90Very high84.6Confident0 Ų044.7 Ų44.70%023%0.234CC..Hα-helixtrans-58.1-38.4177-59.40000112.3C810 I811 T818 F857 S927C810-S814 VanDerWaalsContact O-CB 3.24Å; C810-S814 WeakPolarHBondContact O-CB 3.47Å; C810-S814 PolarHBondContact O-N 3.36Å; C810-S814 PolarHBondContact O-OG 3.3Å; I811-S814 PolarHBondContact O-N 3.06Å; I811-S814 VanDerWaalsContact O-N 3.15Å; S814-T818 VanDerWaalsContact O-CB 3.28Å; S814-T818 WeakPolarHBondContact O-CB 3.25Å; S814-T818 PolarHBondContact O-N 3.17Å; S814-T818 PolarHBondContact O-OG1 2.94Å; S814-F857 WeakPolarHBondContact OG-CE2 3.38Å; S814-S927 PolarHBondContact OG-OG 2.82Å
815I90.1Very high82.5Confident67 Ų6745 Ų4534%0.34425%0.245SC..Hα-helixtrans-62.3-49.6173.6-71.6173.7000110.3I811 I812 S813 T818 Y819 L924I811-I815 HydrophobicContact CG2-CD1 3.61Å; I811-I815 HydrophobicContact CG2-CG1 4.24Å; I811-I815 WeakPolarHBondContact O-CB 3.42Å; I811-I815 VanDerWaalsContact O-CG1 3.3Å; I811-I815 WeakPolarHBondContact O-CG1 3.32Å; I811-I815 PolarHBondContact O-N 2.95Å; I812-I815 PolarHBondContact O-N 3.46Å; S813-I815 VanDerWaalsContact C-N 3.25Å; S813-I815 PolarHBondContact O-N 2.78Å; I815-T818 PolarHBondContact O-N 2.89Å; I815-Y819 HydrophobicContact CG2-CD2 3.58Å; I815-Y819 HydrophobicContact CG2-CE2 3.47Å; I815-Y819 VanDerWaalsContact CG2-CE2 3.47Å; I815-Y819 VanDerWaalsContact O-CD2 3.29Å; I815-Y819 WeakPolarHBondContact O-CD2 3.31Å; I815-Y819 PolarHBondContact O-N 2.7Å; I815-L924 HydrophobicContact CD1-CD1 4.45Å; I815-L924 HydrophobicContact CG1-CD1 3.62Å; I815-L924 HydrophobicContact CG1-CD2 4.36Å
816A87.4Confident79.9Confident35 Ų3552.9 Ų52.929%0.28927%0.265SS..Hα-helixtrans-61-47.7178.200000112.4I812 S813 T818 Y819 L820I812-A816 PolarHBondContact O-N 2.93Å; I812-A816 VanDerWaalsContact O-N 3.09Å; S813-A816 PolarHBondContact O-N 3.39Å; A816-T818 VanDerWaalsContact C-N 3.3Å; A816-T818 PolarHBondContact O-N 3.38Å; A816-Y819 PolarHBondContact O-N 3.48Å; A816-L820 WeakPolarHBondContact O-CB 3.26Å; A816-L820 VanDerWaalsContact O-CG 3.24Å; A816-L820 WeakPolarHBondContact O-CG 3.43Å; A816-L820 PolarHBondContact O-N 2.84Å
817L85.7Confident77Confident0 Ų057.5 Ų57.50%030%0.296CS..Hα-helixtrans-61.2-36.3176.9-65.9169000112.1Y714 S813 S821 W850 N920Y714-L817 HydrophobicContact CE2-CD1 4.24Å; S813-L817 WeakPolarHBondContact O-CB 3.36Å; S813-L817 VanDerWaalsContact O-CG 3.29Å; S813-L817 WeakPolarHBondContact O-CG 3.38Å; S813-L817 PolarHBondContact O-N 3.41Å; L817-S821 VanDerWaalsContact O-CB 3.29Å; L817-S821 WeakPolarHBondContact O-CB 3.47Å; L817-S821 PolarHBondContact O-N 2.97Å; L817-S821 PolarHBondContact O-OG 3.27Å; L817-W850 VanDerWaalsContact CD2-CD1 3.42Å; L817-W850 HydrophobicContact CD2-CD2 4.15Å; L817-W850 HydrophobicContact CD2-CG 3.83Å; L817-N920 WeakPolarHBondContact CB-OD1 3.3Å
818T84.1Confident74.1Confident13 Ų1362.2 Ų62.28%0.0833%0.329CS..Hα-helixtrans-67.3-51.5174-58.10000111.5S814 I815 A816 L820 S821 M822 N920 I921S814-T818 VanDerWaalsContact O-CB 3.28Å; S814-T818 WeakPolarHBondContact O-CB 3.25Å; S814-T818 PolarHBondContact O-N 3.17Å; S814-T818 PolarHBondContact O-OG1 2.94Å; I815-T818 PolarHBondContact O-N 2.89Å; A816-T818 VanDerWaalsContact C-N 3.3Å; A816-T818 PolarHBondContact O-N 3.38Å; T818-L820 VanDerWaalsContact C-N 3.34Å; T818-L820 PolarHBondContact O-N 3.23Å; T818-S821 PolarHBondContact O-N 3.47Å; T818-S821 VanDerWaalsContact O-N 3.12Å; T818-M822 HydrophobicContact CG2-SD 4.26Å; T818-M822 WeakPolarHBondContact O-CG 3.33Å; T818-M822 PolarHBondContact O-N 3.47Å; T818-N920 WeakPolarHBondContact OG1-CB 3.43Å; T818-N920 PolarHBondContact OG1-O 3.04Å; T818-I921 HydrophobicContact CG2-CG1 4.1Å
819Y83Confident71.1Confident169 Ų16963.7 Ų63.766%0.66335%0.347SS*.Hα-helixtrans-59.1-43.5178.7-83.3-60.4000112.3I815 A816 M822 S823I815-Y819 HydrophobicContact CG2-CD2 3.58Å; I815-Y819 HydrophobicContact CG2-CE2 3.47Å; I815-Y819 VanDerWaalsContact CG2-CE2 3.47Å; I815-Y819 VanDerWaalsContact O-CD2 3.29Å; I815-Y819 WeakPolarHBondContact O-CD2 3.31Å; I815-Y819 PolarHBondContact O-N 2.7Å; A816-Y819 PolarHBondContact O-N 3.48Å; Y819-M822 PolarHBondContact O-N 2.89Å; Y819-S823 WeakPolarHBondContact O-CB 3.49Å; Y819-S823 PolarHBondContact O-N 3.26Å
820L77.4Confident68Low23 Ų2367 Ų6712%0.1237%0.37CS..Hα-helixtrans-57.4-49.5172.7-71.1167.1000111.1A816 T818 M822 S823 I824 P846 T849 W850A816-L820 WeakPolarHBondContact O-CB 3.26Å; A816-L820 VanDerWaalsContact O-CG 3.24Å; A816-L820 WeakPolarHBondContact O-CG 3.43Å; A816-L820 PolarHBondContact O-N 2.84Å; T818-L820 VanDerWaalsContact C-N 3.34Å; T818-L820 PolarHBondContact O-N 3.23Å; L820-M822 VanDerWaalsContact C-N 3.27Å; L820-M822 PolarHBondContact O-N 2.78Å; L820-S823 PolarHBondContact O-N 2.87Å; L820-S823 VanDerWaalsContact O-N 3.07Å; L820-I824 HydrophobicContact CB-CD1 4.21Å; L820-I824 WeakPolarHBondContact O-CB 3.41Å; L820-I824 WeakPolarHBondContact O-CD1 3.09Å; L820-I824 WeakPolarHBondContact O-CG1 3.32Å; L820-I824 PolarHBondContact O-N 2.8Å; L820-P846 HydrophobicContact CD2-CB 4.35Å; L820-T849 HydrophobicContact CD1-CG2 3.82Å; L820-T849 HydrophobicContact CD2-CG2 4.39Å; L820-T849 HydrophobicContact CG-CG2 4.48Å; L820-W850 HydrophobicContact CD1-CB 4.21Å
821S74Confident65Low7 Ų772.8 Ų72.85%0.04941%0.41CS..Hα-helixtrans-65.1-27.7-178.1-60.90000113.8L817 T818 N920L817-S821 VanDerWaalsContact O-CB 3.29Å; L817-S821 WeakPolarHBondContact O-CB 3.47Å; L817-S821 PolarHBondContact O-N 2.97Å; L817-S821 PolarHBondContact O-OG 3.27Å; T818-S821 PolarHBondContact O-N 3.47Å; T818-S821 VanDerWaalsContact O-N 3.12Å; S821-N920 PolarHBondContact OG-ND2 3.46Å
822M69.7Low62Low107 Ų10775.5 Ų75.553%0.52743%0.432SS..Hα-helixtrans-75.3-40.5170.8-65.2-178.284.900111.7T818 Y819 L820 R914T818-M822 HydrophobicContact CG2-SD 4.26Å; T818-M822 WeakPolarHBondContact O-CG 3.33Å; T818-M822 PolarHBondContact O-N 3.47Å; Y819-M822 PolarHBondContact O-N 2.89Å; L820-M822 VanDerWaalsContact C-N 3.27Å; L820-M822 PolarHBondContact O-N 2.78Å; M822-R914 PolarHBondContact O-NH1 3.04Å
823S63.1Low58.9Low83 Ų8376 Ų7658%0.5845%0.446SS*.Hα-helixtrans-73.6-43.7-176.6-169.80000114Y819 L820 G825 R826Y819-S823 WeakPolarHBondContact O-CB 3.49Å; Y819-S823 PolarHBondContact O-N 3.26Å; L820-S823 PolarHBondContact O-N 2.87Å; L820-S823 VanDerWaalsContact O-N 3.07Å; S823-G825 PolarHBondContact O-N 3.03Å; S823-R826 PolarHBondContact O-N 2.79Å
824I58.2Low56.1Low37 Ų3779.9 Ų79.919%0.1947%0.472CS..G310 helixtrans-54-32.9-173-77.4164000112.5L726 L820 R826 C827 P846L726-I824 HydrophobicContact CD2-CD1 4.3Å; L820-I824 HydrophobicContact CB-CD1 4.21Å; L820-I824 WeakPolarHBondContact O-CB 3.41Å; L820-I824 WeakPolarHBondContact O-CD1 3.09Å; L820-I824 WeakPolarHBondContact O-CG1 3.32Å; L820-I824 PolarHBondContact O-N 2.8Å; I824-R826 PolarHBondContact O-N 3.28Å; I824-C827 PolarHBondContact O-N 3.11Å; I824-P846 HydrophobicContact CD1-CB 4.21Å; I824-P846 HydrophobicContact CG1-CB 4.12Å
825G44.6Very low53.3Low36 Ų3688.7 Ų88.737%0.37152%0.519SS..G310 helixtrans-73.831.517500000115.7S823 R914S823-G825 PolarHBondContact O-N 3.03Å; G825-R914 PolarHBondContact O-NH2 2.94Å
826R35.6Very low50.4Low232 Ų23290 Ų9088%0.87553%0.534SS*.G310 helixtrans-121.4-13.5156.8-88.8-176.6167.4161.7-4113.2S823 I824 S828S823-R826 PolarHBondContact O-N 2.79Å; I824-R826 PolarHBondContact O-N 3.28Å; R826-S828 VanDerWaalsContact C-N 3.26Å; R826-S828 PolarHBondContact O-N 3.3Å
827C28Very low47.8Very low97 Ų9796.8 Ų96.866%0.65556%0.559SS**  trans-81.274.9169.3-66.80000109.5I824 T829I824-C827 PolarHBondContact O-N 3.11Å; C827-T829 PolarHBondContact O-N 2.88Å
828S29.7Very low45.2Very low99 Ų99104.9 Ų104.969%0.69260%0.602SS**  trans-54.7133.1158.3470000108.7R826 T830R826-S828 VanDerWaalsContact C-N 3.26Å; R826-S828 PolarHBondContact O-N 3.3Å; S828-T830 PolarHBondContact O-N 3.35Å
829T31.4Very low42.6Very low135 Ų135108.4 Ų108.483%0.82862%0.62SS**  trans-65.393.4179.448.70000110.6C827 S831C827-T829 PolarHBondContact O-N 2.88Å; T829-S831 PolarHBondContact O-N 2.88Å
830T27.9Very low40.7Very low116 Ų116107 Ų10771%0.71262%0.623SS**  trans-60.8107.8161.743.90000107.6S828 S832S828-T830 PolarHBondContact O-N 3.35Å; T830-S832 PolarHBondContact O-N 2.95Å
831S28.1Very low38.9Very low120 Ų120113.1 Ų113.184%0.83966%0.656SS**  trans-7658.7-179.553.10000111.2T829 S833T829-S831 PolarHBondContact O-N 2.88Å; S831-S833 PolarHBondContact O-N 3.44Å
832S29.9Very low37.3Very low88 Ų88116.9 Ų116.962%0.61568%0.682SS**  trans-72.8104.2176.757.30000109.8T830 S834T830-S832 PolarHBondContact O-N 2.95Å; S832-S834 PolarHBondContact O-N 2.74Å
833S28.1Very low36.2Very low127 Ų127116.3 Ų116.389%0.88868%0.681SS**  trans-72.786.8178.155.20000111.8S831S831-S833 PolarHBondContact O-N 3.44Å
834S31.5Very low36.1Very low86 Ų86115.3 Ų115.360%0.60167%0.674SS**  trans-130.865.9176.548.40000111.6S832 S836S832-S834 PolarHBondContact O-N 2.74Å; S834-S836 PolarHBondContact O-N 3.24Å
835L31.6Very low36.5Very low186 Ų186120.5 Ų120.597%0.97470%0.697SS**  trans-73.345.2-179.7-164.4112.5000112.9
836S30.5Very low37.8Very low95 Ų95120.5 Ų120.566%0.66469%0.69SS**  trans-16051.7-16664.90000115.2S834S834-S836 PolarHBondContact O-N 3.24Å
837Q32.3Very low39.6Very low176 Ų176113.2 Ų113.282%0.82266%0.663SS**  trans-175.1109.7147.2-105.3164.32600110.8N839Q837-N839 PolarHBondContact O-N 3.03Å
838L30.1Very low42.2Very low170 Ų170112.1 Ų112.189%0.8965%0.65SS**  trans-83.162.7177.6-156.3153.8000109.9I840L838-I840 HydrophobicContact CD2-CG1 4.34Å; L838-I840 PolarHBondContact O-N 3.2Å
839N29Very low44.7Very low87 Ų87109.3 Ų109.347%0.46563%0.629SS.*  trans-88.4105.3-179.9-167.3-12000109.5Q837 N841 S842Q837-N839 PolarHBondContact O-N 3.03Å; N839-N841 PolarHBondContact O-N 2.77Å; N839-N841 PolarHBondContact OD1-N 2.81Å; N839-S842 PolarHBondContact O-N 3.48Å; N839-S842 VanDerWaalsContact O-N 3.11Å; N839-S842 PolarHBondContact O-OG 3.36Å; N839-S842 VanDerWaalsContact O-OG 3.1Å
840I43.4Very low47.2Very low141 Ų141102.9 Ų102.972%0.72359%0.589SS**G310 helixtrans-57.4-24.2-173.6-62.4170.5000112L838 S842L838-I840 HydrophobicContact CD2-CG1 4.34Å; L838-I840 PolarHBondContact O-N 3.2Å; I840-S842 PolarHBondContact O-N 2.92Å
841N39.9Very low50Low151 Ų15198.6 Ų98.681%0.80756%0.562SS**G310 helixtrans-71.8-5.8-179.6-62.2-12.1000114.9N839N839-N841 PolarHBondContact O-N 2.77Å; N839-N841 PolarHBondContact OD1-N 2.81Å
842S41Very low52.9Low86 Ų8697.4 Ų97.460%0.60155%0.545SS*.G310 helixtrans-113.513.8-178.567.10000115.3N839 I840 S844N839-S842 PolarHBondContact O-N 3.48Å; N839-S842 VanDerWaalsContact O-N 3.11Å; N839-S842 PolarHBondContact O-OG 3.36Å; N839-S842 VanDerWaalsContact O-OG 3.1Å; I840-S842 PolarHBondContact O-N 2.92Å; S842-S844 PolarHBondContact O-N 2.95Å
843L47.4Very low55.6Low95 Ų9593.4 Ų93.450%0.49752%0.518SS..SBendtrans-60.1105.2171.2-162.980.9000109H845 I848 L851L843-H845 PolarHBondContact O-N 3.21Å; L843-I848 HydrophobicContact CB-CD1 4.3Å; L843-I848 HydrophobicContact CB-CG1 4.31Å; L843-I848 HydrophobicContact CD2-CG1 3.92Å; L843-I848 HydrophobicContact CG-CG1 4.42Å; L843-I848 VanDerWaalsContact O-CD1 3.28Å; L843-I848 WeakPolarHBondContact O-CD1 3.2Å; L843-L851 HydrophobicContact CD2-CD1 4.42Å
844S59.4Low58.5Low62 Ų6287.3 Ų87.343%0.43448%0.475SS..  trans-63.7141.6-157.671.70000112.7S842 P846 Y847S842-S844 PolarHBondContact O-N 2.95Å; S844-P846 VanDerWaalsContact C-N 3.34Å; S844-P846 WeakPolarHBondContact O-CD 3.45Å; S844-Y847 WeakPolarHBondContact O-CB 3.3Å; S844-Y847 PolarHBondContact O-N 3Å; S844-Y847 VanDerWaalsContact OG-CD2 3.3Å; S844-Y847 WeakPolarHBondContact OG-CD2 3.28Å; S844-Y847 WeakPolarHBondContact OG-CE2 3.16Å
845H67.4Low61.4Low145 Ų14586.1 Ų86.167%0.67146%0.46SS*.Hα-helixtrans-34.9-49-170.1-166.5-44.9000116.2L843 Y847 I848 T849L843-H845 PolarHBondContact O-N 3.21Å; H845-Y847 VanDerWaalsContact C-N 3.31Å; H845-Y847 PolarHBondContact O-N 3.25Å; H845-I848 PolarHBondContact O-N 3.25Å; H845-T849 PolarHBondContact CE1-OG1 3.5Å; H845-T849 VanDerWaalsContact CE1-OG1 3.23Å; H845-T849 PolarHBondContact ND1-OG1 2.95Å; H845-T849 PolarHBondContact O-N 3.14Å; H845-T849 VanDerWaalsContact O-N 3.1Å; H845-T849 PolarHBondContact O-OG1 3.36Å
846P72.2Confident64.3Low37 Ų3779.2 Ų79.224%0.2443%0.426CS..Hα-helixtrans-58.5-35179.122.2-35.1000114.6L820 I824 S844 W850L820-P846 HydrophobicContact CD2-CB 4.35Å; I824-P846 HydrophobicContact CD1-CB 4.21Å; I824-P846 HydrophobicContact CG1-CB 4.12Å; S844-P846 VanDerWaalsContact C-N 3.34Å; S844-P846 WeakPolarHBondContact O-CD 3.45Å; P846-W850 WeakPolarHBondContact O-CB 3.25Å; P846-W850 PolarHBondContact O-N 3.29Å; P846-W850 VanDerWaalsContact O-N 3.09Å
847Y73.8Confident67.2Low79 Ų7974.7 Ų74.731%0.3140%0.395SS..Hα-helixtrans-64.4-51.2179.1-69.1-77.3000111.5W728 L732 S844 H845 T849 W850 L851W728-Y847 AromaticContact CD1-CE1 3.73Å; W728-Y847 AromaticContact CD2-CD1 3.97Å; W728-Y847 HydrophobicContact CD2-CD1 3.97Å; W728-Y847 AromaticContact CD2-CE1 3.75Å; W728-Y847 HydrophobicContact CD2-CE1 3.75Å; W728-Y847 AromaticContact CE2-CD1 3.48Å; W728-Y847 VanDerWaalsContact CE2-CD1 3.48Å; W728-Y847 AromaticContact CE2-CE1 3.26Å; W728-Y847 HydrophobicContact CE3-CD1 4.23Å; W728-Y847 HydrophobicContact CE3-CE1 4.43Å; W728-Y847 HydrophobicContact CG-CE1 4.04Å; W728-Y847 AromaticContact CH2-CD1 3.57Å; W728-Y847 HydrophobicContact CH2-CD1 3.57Å; W728-Y847 HydrophobicContact CH2-CE1 4.25Å; W728-Y847 HydrophobicContact CH2-CG 4.34Å; W728-Y847 AromaticContact CZ2-CD1 3.29Å; W728-Y847 HydrophobicContact CZ2-CD1 3.29Å; W728-Y847 AromaticContact CZ2-CE1 3.58Å; W728-Y847 HydrophobicContact CZ2-CE1 3.58Å; W728-Y847 HydrophobicContact CZ2-CG 4.13Å; W728-Y847 HydrophobicContact CZ3-CD1 4.03Å; W728-Y847 AromaticContact NE1-CD1 3.98Å; W728-Y847 AromaticContact NE1-CE1 3.28Å; W728-Y847 VanDerWaalsContact NE1-CE1 3.28Å; W728-Y847 AromaticContact NE1-CZ 3.92Å; L732-Y847 HydrophobicContact CD2-CD1 3.63Å; L732-Y847 HydrophobicContact CD2-CE1 3.87Å; S844-Y847 WeakPolarHBondContact O-CB 3.3Å; S844-Y847 PolarHBondContact O-N 3Å; S844-Y847 VanDerWaalsContact OG-CD2 3.3Å; S844-Y847 WeakPolarHBondContact OG-CD2 3.28Å; S844-Y847 WeakPolarHBondContact OG-CE2 3.16Å; H845-Y847 VanDerWaalsContact C-N 3.31Å; H845-Y847 PolarHBondContact O-N 3.25Å; Y847-T849 PolarHBondContact O-N 3.45Å; Y847-W850 PolarHBondContact O-N 3.28Å; Y847-L851 WeakPolarHBondContact O-CD1 3.42Å; Y847-L851 VanDerWaalsContact O-CG 3.31Å; Y847-L851 WeakPolarHBondContact O-CG 3.34Å; Y847-L851 PolarHBondContact O-N 2.9Å
848I80.9Confident69.8Low74 Ų7466.3 Ų66.338%0.37936%0.356SS..Hα-helixtrans-59.4-48.3179-62.9176.8000110.2L843 H845 W850 L851 I852L843-I848 HydrophobicContact CB-CD1 4.3Å; L843-I848 HydrophobicContact CB-CG1 4.31Å; L843-I848 HydrophobicContact CD2-CG1 3.92Å; L843-I848 HydrophobicContact CG-CG1 4.42Å; L843-I848 VanDerWaalsContact O-CD1 3.28Å; L843-I848 WeakPolarHBondContact O-CD1 3.2Å; H845-I848 PolarHBondContact O-N 3.25Å; I848-W850 VanDerWaalsContact C-N 3.29Å; I848-W850 PolarHBondContact O-N 3.42Å; I848-L851 PolarHBondContact O-N 3.14Å; I848-I852 HydrophobicContact CG2-CD1 3.64Å; I848-I852 HydrophobicContact CG2-CG1 4.32Å; I848-I852 WeakPolarHBondContact O-CB 3.41Å; I848-I852 WeakPolarHBondContact O-CG1 3.35Å; I848-I852 PolarHBondContact O-N 3.23Å
849T82.2Confident72.8Confident39 Ų3959.8 Ų59.824%0.23932%0.321CS..Hα-helixtrans-65.9-30.9-177-40.50000112.6L820 H845 Y847 G853L820-T849 HydrophobicContact CD1-CG2 3.82Å; L820-T849 HydrophobicContact CD2-CG2 4.39Å; L820-T849 HydrophobicContact CG-CG2 4.48Å; H845-T849 PolarHBondContact CE1-OG1 3.5Å; H845-T849 VanDerWaalsContact CE1-OG1 3.23Å; H845-T849 PolarHBondContact ND1-OG1 2.95Å; H845-T849 PolarHBondContact O-N 3.14Å; H845-T849 VanDerWaalsContact O-N 3.1Å; H845-T849 PolarHBondContact O-OG1 3.36Å; Y847-T849 PolarHBondContact O-N 3.45Å; T849-G853 PolarHBondContact O-N 3.07Å
850W84.4Confident75.7Confident0 Ų055.6 Ų55.60%030%0.299CS..Hα-helixtrans-78.9-35.7177.8-151.184.1000112.9V718 L721 T722 L726 W728 V736 L817 L820 P846 Y847 I848 G853 S854V718-W850 HydrophobicContact CG2-CH2 3.67Å; V718-W850 HydrophobicContact CG2-CZ3 4.27Å; L721-W850 HydrophobicContact CD2-CH2 4.36Å; L721-W850 HydrophobicContact CD2-CZ2 3.87Å; L721-W850 HydrophobicContact CG-CZ2 4.49Å; T722-W850 HydrophobicContact CG2-CE3 4.15Å; T722-W850 HydrophobicContact CG2-CH2 3.44Å; T722-W850 VanDerWaalsContact CG2-CH2 3.44Å; T722-W850 HydrophobicContact CG2-CZ3 3.13Å; L726-W850 HydrophobicContact CD1-CD2 3.91Å; L726-W850 HydrophobicContact CD1-CE3 4.12Å; L726-W850 HydrophobicContact CD1-CH2 3.95Å; L726-W850 HydrophobicContact CD1-CZ2 3.74Å; L726-W850 HydrophobicContact CD1-CZ3 4.09Å; W728-W850 HydrophobicContact CE3-CE3 4.35Å; W728-W850 HydrophobicContact CH2-CB 3.72Å; W728-W850 HydrophobicContact CH2-CD2 4.12Å; W728-W850 AromaticContact CH2-CE3 3.93Å; W728-W850 HydrophobicContact CH2-CE3 3.93Å; W728-W850 HydrophobicContact CH2-CG 4.05Å; W728-W850 HydrophobicContact CZ3-CB 4.38Å; W728-W850 HydrophobicContact CZ3-CD2 4.19Å; W728-W850 AromaticContact CZ3-CE3 3.53Å; W728-W850 HydrophobicContact CZ3-CE3 3.53Å; W728-W850 HydrophobicContact CZ3-CZ3 4.2Å; V736-W850 HydrophobicContact CB-CZ3 4.01Å; V736-W850 HydrophobicContact CG1-CE3 4.11Å; V736-W850 HydrophobicContact CG1-CH2 4.22Å; V736-W850 HydrophobicContact CG1-CZ3 3.5Å; V736-W850 VanDerWaalsContact CG1-CZ3 3.5Å; V736-W850 HydrophobicContact CG2-CE3 3.86Å; V736-W850 HydrophobicContact CG2-CZ3 3.69Å; L817-W850 VanDerWaalsContact CD2-CD1 3.42Å; L817-W850 HydrophobicContact CD2-CD2 4.15Å; L817-W850 HydrophobicContact CD2-CG 3.83Å; L820-W850 HydrophobicContact CD1-CB 4.21Å; P846-W850 WeakPolarHBondContact O-CB 3.25Å; P846-W850 PolarHBondContact O-N 3.29Å; P846-W850 VanDerWaalsContact O-N 3.09Å; Y847-W850 PolarHBondContact O-N 3.28Å; I848-W850 VanDerWaalsContact C-N 3.29Å; I848-W850 PolarHBondContact O-N 3.42Å; W850-G853 PolarHBondContact O-N 3.25Å; W850-S854 WeakPolarHBondContact O-CB 3.37Å; W850-S854 PolarHBondContact O-N 3.42Å; W850-S854 PolarHBondContact O-OG 3.3Å
851L87.1Confident77.8Confident26 Ų2649 Ų4914%0.13627%0.265CS..Hα-helixtrans-61.2-49.9170.2-72.3162.3000110.9L732 I735 V736 L739 L843 Y847 I848 S854 F855L732-L851 HydrophobicContact CD1-CD1 4.38Å; L732-L851 HydrophobicContact CD1-CD2 4.1Å; I735-L851 HydrophobicContact CG2-CD2 4.03Å; V736-L851 HydrophobicContact CG2-CD2 3.55Å; V736-L851 HydrophobicContact CG2-CG 4.47Å; L739-L851 HydrophobicContact CD1-CB 4.15Å; L739-L851 HydrophobicContact CD1-CD2 3.58Å; L739-L851 HydrophobicContact CD1-CG 4.47Å; L843-L851 HydrophobicContact CD2-CD1 4.42Å; Y847-L851 WeakPolarHBondContact O-CD1 3.42Å; Y847-L851 VanDerWaalsContact O-CG 3.31Å; Y847-L851 WeakPolarHBondContact O-CG 3.34Å; Y847-L851 PolarHBondContact O-N 2.9Å; I848-L851 PolarHBondContact O-N 3.14Å; L851-S854 PolarHBondContact O-N 3.48Å; L851-F855 PolarHBondContact O-N 3.08Å; L851-F855 VanDerWaalsContact O-N 3.08Å
852I88.6Confident79.9Confident95 Ų9541.8 Ų41.849%0.48723%0.226SC..Hα-helixtrans-61.4-45.3175.3-67.9174000110.4I848 S854 F855 C856I848-I852 HydrophobicContact CG2-CD1 3.64Å; I848-I852 HydrophobicContact CG2-CG1 4.32Å; I848-I852 WeakPolarHBondContact O-CB 3.41Å; I848-I852 WeakPolarHBondContact O-CG1 3.35Å; I848-I852 PolarHBondContact O-N 3.23Å; I852-S854 PolarHBondContact O-N 3.43Å; I852-F855 PolarHBondContact O-N 2.88Å; I852-C856 WeakPolarHBondContact O-CB 3.29Å; I852-C856 PolarHBondContact O-N 3.11Å; I852-C856 PolarHBondContact O-SG 2.87Å; I852-C856 VanDerWaalsContact O-SG 3.35Å
853G88Confident82.1Confident4 Ų438.4 Ų38.44%0.04120%0.201CC..Hα-helixtrans-55-49.8176.600000111.9S813 T849 W850 F855 C856 F857S813-G853 WeakPolarHBondContact OG-CA 3.4Å; S813-G853 PolarHBondContact OG-O 2.69Å; T849-G853 PolarHBondContact O-N 3.07Å; W850-G853 PolarHBondContact O-N 3.25Å; G853-F855 PolarHBondContact O-N 3.32Å; G853-C856 PolarHBondContact O-N 2.78Å; G853-F857 VanDerWaalsContact O-CB 3.25Å; G853-F857 WeakPolarHBondContact O-CB 3.42Å; G853-F857 PolarHBondContact O-N 3.36Å
854S88.5Confident83.8Confident0 Ų033.9 Ų33.90%018%0.178CC..Hα-helixtrans-63.2-40.9-179.6-52.40000112.7Y714 V736 W850 L851 I852 F857 G858Y714-S854 PolarHBondContact OH-OG 3.34Å; V736-S854 VanDerWaalsContact CG1-CB 3.47Å; V736-S854 VanDerWaalsContact CG1-OG 3.23Å; V736-S854 WeakPolarHBondContact CG1-OG 3.48Å; W850-S854 WeakPolarHBondContact O-CB 3.37Å; W850-S854 PolarHBondContact O-N 3.42Å; W850-S854 PolarHBondContact O-OG 3.3Å; L851-S854 PolarHBondContact O-N 3.48Å; I852-S854 PolarHBondContact O-N 3.43Å; S854-F857 PolarHBondContact O-N 2.9Å; S854-G858 PolarHBondContact O-N 3.06Å; S854-G858 VanDerWaalsContact O-N 3.07Å
855F91.3Very high84.6Confident61 Ų6131.1 Ų31.127%0.26816%0.158SC..Hα-helixtrans-64.2-49.1174.1176.8-111.5000112.3L739 L742 G743 L851 I852 G853 F857 G858 I859L739-F855 HydrophobicContact CB-CB 4.31Å; L739-F855 HydrophobicContact CD2-CD2 4.31Å; L739-F855 WeakPolarHBondContact O-CD2 3.49Å; L742-F855 HydrophobicContact CD2-CE2 4.34Å; L742-F855 HydrophobicContact CG-CE2 4.2Å; G743-F855 WeakPolarHBondContact CA-O 3.42Å; L851-F855 PolarHBondContact O-N 3.08Å; L851-F855 VanDerWaalsContact O-N 3.08Å; I852-F855 PolarHBondContact O-N 2.88Å; G853-F855 PolarHBondContact O-N 3.32Å; F855-F857 VanDerWaalsContact C-N 3.31Å; F855-F857 PolarHBondContact O-N 3.37Å; F855-G858 PolarHBondContact O-N 2.9Å; F855-I859 HydrophobicContact CD1-CD1 3.99Å; F855-I859 HydrophobicContact CE1-CD1 3.5Å; F855-I859 VanDerWaalsContact CE1-CD1 3.5Å; F855-I859 HydrophobicContact CE2-CD1 4.35Å; F855-I859 HydrophobicContact CZ-CD1 3.7Å; F855-I859 HydrophobicContact CZ-CG1 4.45Å; F855-I859 PolarHBondContact O-N 2.84Å
856C92.7Very high84.3Confident41 Ų4124.6 Ų24.628%0.27713%0.129SC..Hα-helixtrans-63.3-36.5176.6-70.30000112I809 I852 G853 G858 I859 G860I809-C856 HydrophobicContact CG2-CB 4.39Å; I809-C856 WeakPolarHBondContact CG2-O 3.38Å; I852-C856 WeakPolarHBondContact O-CB 3.29Å; I852-C856 PolarHBondContact O-N 3.11Å; I852-C856 PolarHBondContact O-SG 2.87Å; I852-C856 VanDerWaalsContact O-SG 3.35Å; G853-C856 PolarHBondContact O-N 2.78Å; C856-G858 VanDerWaalsContact C-N 3.34Å; C856-I859 PolarHBondContact O-N 3.07Å; C856-G860 PolarHBondContact O-N 2.96Å
857F91.3Very high83.2Confident0 Ų028.4 Ų28.40%014%0.14CC..Hα-helixtrans-63.2-42.4175.8-171.5-106.3000111.2L710 Y714 F740 C810 S814 G853 S854 F855 G860 I861 V923L710-F857 HydrophobicContact CD1-CZ 3.86Å; L710-F857 HydrophobicContact CD2-CE2 4.49Å; L710-F857 HydrophobicContact CD2-CZ 3.97Å; L710-F857 HydrophobicContact CG-CZ 3.82Å; Y714-F857 AromaticContact CD1-CD1 3.71Å; Y714-F857 HydrophobicContact CD1-CD1 3.71Å; Y714-F857 AromaticContact CD1-CE1 3.91Å; Y714-F857 HydrophobicContact CD1-CE1 3.91Å; Y714-F857 HydrophobicContact CD2-CD1 4.02Å; Y714-F857 AromaticContact CD2-CE1 3.77Å; Y714-F857 HydrophobicContact CD2-CE1 3.77Å; Y714-F857 AromaticContact CE1-CD1 3.87Å; Y714-F857 HydrophobicContact CE1-CD1 3.87Å; Y714-F857 HydrophobicContact CE1-CE1 4.46Å; Y714-F857 HydrophobicContact CE2-CD1 4.18Å; Y714-F857 HydrophobicContact CE2-CE1 4.34Å; Y714-F857 AromaticContact CG-CD1 3.78Å; Y714-F857 HydrophobicContact CG-CD1 3.78Å; Y714-F857 AromaticContact CG-CE1 3.52Å; Y714-F857 HydrophobicContact CG-CE1 3.52Å; F740-F857 HydrophobicContact CD2-CD1 4.04Å; F740-F857 AromaticContact CE2-CD1 3.74Å; F740-F857 HydrophobicContact CE2-CD1 3.74Å; F740-F857 HydrophobicContact CE2-CE1 4.1Å; C810-F857 HydrophobicContact CB-CD2 4.25Å; C810-F857 HydrophobicContact CB-CE2 3.97Å; S814-F857 WeakPolarHBondContact OG-CE2 3.38Å; G853-F857 VanDerWaalsContact O-CB 3.25Å; G853-F857 WeakPolarHBondContact O-CB 3.42Å; G853-F857 PolarHBondContact O-N 3.36Å; S854-F857 PolarHBondContact O-N 2.9Å; F855-F857 VanDerWaalsContact C-N 3.31Å; F855-F857 PolarHBondContact O-N 3.37Å; F857-G860 PolarHBondContact O-N 3.03Å; F857-I861 HydrophobicContact CD1-CD1 4.29Å; F857-I861 HydrophobicContact CE1-CD1 3.65Å; F857-I861 HydrophobicContact CE1-CG1 4.4Å; F857-I861 HydrophobicContact CZ-CD1 4Å; F857-I861 PolarHBondContact O-N 2.85Å; F857-I861 VanDerWaalsContact O-N 3.13Å; F857-V923 HydrophobicContact CE1-CG1 4.19Å; F857-V923 HydrophobicContact CE2-CG1 3.68Å; F857-V923 HydrophobicContact CZ-CG1 3.48Å; F857-V923 VanDerWaalsContact CZ-CG1 3.48Å
858G88.4Confident81.7Confident0 Ų026 Ų260%013%0.133CC..Hα-helixtrans-56.9-48.8169.100000112.8F740 G743 N744 S854 F855 C856 G860 I861 G862F740-G858 WeakPolarHBondContact O-CA 3.39Å; G743-G858 CarbonylContact C-O 3.52Å; G743-G858 CarbonylContact O-C 3.55Å; N744-G858 VanDerWaalsContact CA-O 3.24Å; N744-G858 WeakPolarHBondContact CA-O 3.29Å; N744-G858 VanDerWaalsContact N-C 3.31Å; N744-G858 PolarHBondContact N-O 3.22Å; S854-G858 PolarHBondContact O-N 3.06Å; S854-G858 VanDerWaalsContact O-N 3.07Å; F855-G858 PolarHBondContact O-N 2.9Å; C856-G858 VanDerWaalsContact C-N 3.34Å; G858-G860 VanDerWaalsContact C-N 3.26Å; G858-G860 PolarHBondContact O-N 2.98Å; G858-I861 PolarHBondContact O-N 3.16Å; G858-G862 PolarHBondContact O-N 2.59Å
859I91.6Very high79.6Confident32 Ų3224.5 Ų24.516%0.16413%0.126CC..Hα-helixtrans-56.7-41.6176-70.1174.2000111.3G743 V746 I809 F855 C856 G862 L863G743-I859 VanDerWaalsContact C-N 3.31Å; G743-I859 VanDerWaalsContact O-CA 3.25Å; G743-I859 WeakPolarHBondContact O-CA 3.43Å; G743-I859 WeakPolarHBondContact O-CG1 3.31Å; G743-I859 PolarHBondContact O-N 3.46Å; V746-I859 HydrophobicContact CB-CG1 4.44Å; V746-I859 HydrophobicContact CG1-CD1 4.25Å; V746-I859 HydrophobicContact CG1-CG1 4.28Å; I809-I859 HydrophobicContact CD1-CG2 4.43Å; F855-I859 HydrophobicContact CD1-CD1 3.99Å; F855-I859 HydrophobicContact CE1-CD1 3.5Å; F855-I859 VanDerWaalsContact CE1-CD1 3.5Å; F855-I859 HydrophobicContact CE2-CD1 4.35Å; F855-I859 HydrophobicContact CZ-CD1 3.7Å; F855-I859 HydrophobicContact CZ-CG1 4.45Å; F855-I859 PolarHBondContact O-N 2.84Å; C856-I859 PolarHBondContact O-N 3.07Å; I859-G862 PolarHBondContact O-N 2.76Å; I859-L863 HydrophobicContact CG2-CD1 3.71Å; I859-L863 HydrophobicContact CG2-CG 4.32Å; I859-L863 WeakPolarHBondContact O-CB 3.31Å; I859-L863 VanDerWaalsContact O-CG 3.31Å; I859-L863 WeakPolarHBondContact O-CG 3.36Å; I859-L863 PolarHBondContact O-N 3.42Å
860G90.3Very high77.8Confident0 Ų023.6 Ų23.60%012%0.12CC..Hα-helixtrans-55.7-52.9175.900000112G806 C810 C856 F857 G858 L863 S864G806-G860 CarbonylContact C-O 3.53Å; G806-G860 VanDerWaalsContact CA-O 3.3Å; G806-G860 WeakPolarHBondContact CA-O 3.49Å; G806-G860 WeakPolarHBondContact O-CA 3.33Å; C810-G860 VanDerWaalsContact SG-CA 3.54Å; C856-G860 PolarHBondContact O-N 2.96Å; F857-G860 PolarHBondContact O-N 3.03Å; G858-G860 VanDerWaalsContact C-N 3.26Å; G858-G860 PolarHBondContact O-N 2.98Å; G860-L863 PolarHBondContact O-N 3.22Å; G860-S864 PolarHBondContact O-N 2.94Å; G860-S864 PolarHBondContact O-OG 3.41Å
861I87.9Confident75.6Confident1 Ų126.2 Ų26.21%0.00513%0.134CC..Hα-helixtrans-61.9-44.2178-65.8-171.5000111.7L710 E711 F740 C810 F857 G858 L863 S864 S865L710-I861 HydrophobicContact CG-CD1 4.28Å; E711-I861 HydrophobicContact CB-CD1 4.05Å; E711-I861 HydrophobicContact CB-CG2 4.01Å; E711-I861 HydrophobicContact CG-CG2 4.15Å; F740-I861 HydrophobicContact CE2-CD1 4.01Å; F740-I861 HydrophobicContact CZ-CD1 4.12Å; C810-I861 PolarHBondContact SG-N 3.12Å; C810-I861 VanDerWaalsContact SG-N 3.43Å; F857-I861 HydrophobicContact CD1-CD1 4.29Å; F857-I861 HydrophobicContact CE1-CD1 3.65Å; F857-I861 HydrophobicContact CE1-CG1 4.4Å; F857-I861 HydrophobicContact CZ-CD1 4Å; F857-I861 PolarHBondContact O-N 2.85Å; F857-I861 VanDerWaalsContact O-N 3.13Å; G858-I861 PolarHBondContact O-N 3.16Å; I861-L863 PolarHBondContact O-N 3.43Å; I861-S864 WeakPolarHBondContact CA-OG 3.05Å; I861-S864 PolarHBondContact O-N 2.93Å; I861-S864 PolarHBondContact O-OG 2.93Å; I861-S865 PolarHBondContact O-N 2.86Å
862G83.7Confident73.3Confident0 Ų025.1 Ų25.10%013%0.128CC..Hα-helixtrans-61-31.8177.400000113.2N744 G747 F748 G858 I859 S865N744-G862 VanDerWaalsContact OD1-CA 3.31Å; N744-G862 WeakPolarHBondContact OD1-CA 3.39Å; G747-G862 CarbonylContact C-O 3.54Å; F748-G862 PolarHBondContact N-O 2.67Å; G858-G862 PolarHBondContact O-N 2.59Å; I859-G862 PolarHBondContact O-N 2.76Å; G862-S865 PolarHBondContact O-OG 3.36Å
863L86.5Confident70.8Confident15 Ų1522 Ų228%0.07911%0.113CC..Hα-helixtrans-83-35.9174.8-70.6170.4000113.4G747 V750 R751 I802 Q803 I809 I859 G860 I861G747-L863 WeakPolarHBondContact O-CD2 3.34Å; V750-L863 HydrophobicContact CB-CD2 4.35Å; V750-L863 HydrophobicContact CG1-CD2 4.07Å; R751-L863 HydrophobicContact CB-CD2 4.27Å; R751-L863 WeakPolarHBondContact CD-O 3.14Å; I802-L863 HydrophobicContact CG2-CD2 3.98Å; Q803-L863 WeakPolarHBondContact CA-O 3.38Å; I809-L863 HydrophobicContact CD1-CD1 3.72Å; I859-L863 HydrophobicContact CG2-CD1 3.71Å; I859-L863 HydrophobicContact CG2-CG 4.32Å; I859-L863 WeakPolarHBondContact O-CB 3.31Å; I859-L863 VanDerWaalsContact O-CG 3.31Å; I859-L863 WeakPolarHBondContact O-CG 3.36Å; I859-L863 PolarHBondContact O-N 3.42Å; G860-L863 PolarHBondContact O-N 3.22Å; I861-L863 PolarHBondContact O-N 3.43Å
864S84.4Confident68.3Low0 Ų022.4 Ų22.40%012%0.115CC..Hα-helixtrans-79.4-15.6177.756.50000114.4N707 C807 G860 I861 F934N707-S864 PolarHBondContact OD1-OG 3.39Å; C807-S864 VanDerWaalsContact SG-CB 3.54Å; G860-S864 PolarHBondContact O-N 2.94Å; G860-S864 PolarHBondContact O-OG 3.41Å; I861-S864 WeakPolarHBondContact CA-OG 3.05Å; I861-S864 PolarHBondContact O-N 2.93Å; I861-S864 PolarHBondContact O-OG 2.93Å; S864-F934 VanDerWaalsContact O-CZ 3.25Å; S864-F934 WeakPolarHBondContact O-CZ 3.47Å
865S76.1Confident65.8Low4 Ų428 Ų283%0.02814%0.141CC..  trans-39.9141.1169.962.70000112.4R751 Q803 I861 G862 D869R751-S865 PolarHBondContact NE-O 3.26Å; R751-S865 PolarHBondContact NH1-O 3.28Å; R751-S865 PolarHBondContact NH1-OG 2.84Å; R751-S865 PolarHBondContact NH2-O 2.95Å; R751-S865 VanDerWaalsContact NH2-O 3.11Å; Q803-S865 PolarHBondContact NE2-O 3.03Å; I861-S865 PolarHBondContact O-N 2.86Å; G862-S865 PolarHBondContact O-OG 3.36Å; S865-D869 WeakPolarHBondContact CB-OD2 3.47Å
866S59.7Low62.9Low8 Ų826.6 Ų26.66%0.05614%0.136CC..  trans-119.6118.3-167.2-84.90000112.6V704 Q803 D869 F934V704-S866 VanDerWaalsContact CG2-CB 3.48Å; Q803-S866 PolarHBondContact NE2-OG 3.46Å; S866-D869 PolarHBondContact N-OD2 2.93Å; S866-F934 WeakPolarHBondContact OG-CZ 3.49Å
867Y50.3Low60Low118 Ų11827.3 Ų27.346%0.46314%0.139SC..SBendtrans55.5-169.8-157.1-114.3-111.5000113R751 D869R751-Y867 PolarHBondContact NH1-O 3.47Å; R751-Y867 VanDerWaalsContact NH2-N 3.13Å; R751-Y867 PolarHBondContact NH2-O 3.1Å; Y867-D869 PolarHBondContact O-N 3.22Å
868T41.5Very low57.1Low28 Ų2830 Ų3017%0.17216%0.155CC..SBendtrans-64.9116.316444.70000107.4Q129 T870 T873Q129-T868 HydrophobicContact CG-CG2 4.02Å; T868-T870 VanDerWaalsContact O-CB 3.3Å; T868-T870 WeakPolarHBondContact O-CB 3.48Å; T868-T870 WeakPolarHBondContact O-CG2 3.35Å; T868-T870 PolarHBondContact O-N 3.47Å; T868-T870 PolarHBondContact O-OG1 2.94Å; T868-T873 PolarHBondContact OG1-OG1 3.35Å
869D38.4Very low54.2Low43 Ų4333.8 Ų33.823%0.2318%0.175CC..  trans-71.4105.5-179.3-102.7-62.7000109.4T132 S865 S866 Y867 I892T132-D869 WeakPolarHBondContact CG2-O 3.25Å; T132-D869 PolarHBondContact OG1-O 2.87Å; S865-D869 WeakPolarHBondContact CB-OD2 3.47Å; S866-D869 PolarHBondContact N-OD2 2.93Å; Y867-D869 PolarHBondContact O-N 3.22Å; D869-I892 WeakPolarHBondContact OD1-CD1 3.42Å
870T43.6Very low51.4Low20 Ų2034.3 Ų34.312%0.12318%0.178CC..  trans-146.4105.8-154.749.50000114.2T132 T868 M872 T873T132-T870 WeakPolarHBondContact OG1-CG2 3.27Å; T868-T870 VanDerWaalsContact O-CB 3.3Å; T868-T870 WeakPolarHBondContact O-CB 3.48Å; T868-T870 WeakPolarHBondContact O-CG2 3.35Å; T868-T870 PolarHBondContact O-N 3.47Å; T868-T870 PolarHBondContact O-OG1 2.94Å; T870-M872 VanDerWaalsContact CB-N 3.34Å; T870-M872 HydrophobicContact CG2-CB 3.61Å; T870-M872 PolarHBondContact O-N 2.86Å; T870-T873 VanDerWaalsContact CB-OG1 3.31Å; T870-T873 WeakPolarHBondContact CB-OG1 3.25Å; T870-T873 WeakPolarHBondContact CG2-OG1 3.43Å; T870-T873 VanDerWaalsContact OG1-CB 3.31Å; T870-T873 WeakPolarHBondContact OG1-CB 3.29Å; T870-T873 PolarHBondContact OG1-OG1 3.38Å
871L37.4Very low48.6Very low54 Ų5440.3 Ų40.328%0.28321%0.205SC..THydrogen-bonded Turntrans-6217.2137.6-72.5127.6000113T107 L110 V114 Y893T107-L871 HydrophobicContact CG2-CD2 3.98Å; L110-L871 HydrophobicContact CB-CB 3.94Å; L110-L871 HydrophobicContact CB-CD2 4.34Å; L110-L871 HydrophobicContact CD1-CB 3.63Å; L110-L871 HydrophobicContact CD1-CD1 3.73Å; L110-L871 HydrophobicContact CD1-CD2 3.84Å; L110-L871 HydrophobicContact CD1-CG 3.93Å; L110-L871 HydrophobicContact CG-CB 4.38Å; V114-L871 WeakPolarHBondContact CG2-O 3.34Å; L871-Y893 HydrophobicContact CD2-CE1 4.45Å; L871-Y893 VanDerWaalsContact CD2-OH 3.25Å; L871-Y893 WeakPolarHBondContact CD2-OH 3.3Å
872M38.9Very low46Very low3 Ų346.2 Ų46.22%0.01523%0.231CC..THydrogen-bonded Turntrans-128.1-6-167.7-111.7-60.3116.700115.1F10 C113 V114 L131 T870F10-M872 HydrophobicContact CE1-CB 4.47Å; F10-M872 HydrophobicContact CE1-CE 4.45Å; F10-M872 HydrophobicContact CE1-CG 3.39Å; F10-M872 HydrophobicContact CE2-CE 3.69Å; F10-M872 HydrophobicContact CE2-CG 4.25Å; F10-M872 HydrophobicContact CE2-SD 4.41Å; F10-M872 HydrophobicContact CZ-CE 3.36Å; F10-M872 HydrophobicContact CZ-CG 3.24Å; F10-M872 HydrophobicContact CZ-SD 3.88Å; C113-M872 HydrophobicContact CB-CE 3.67Å; V114-M872 HydrophobicContact CB-CE 4.2Å; V114-M872 HydrophobicContact CG2-CE 3.38Å; V114-M872 HydrophobicContact CG2-SD 4.07Å; L131-M872 HydrophobicContact CB-CG 4.21Å; L131-M872 HydrophobicContact CD1-CE 4.39Å; L131-M872 HydrophobicContact CD1-CG 4.22Å; L131-M872 HydrophobicContact CD1-SD 3.54Å; L131-M872 VanDerWaalsContact CD1-SD 3.54Å; T870-M872 VanDerWaalsContact CB-N 3.34Å; T870-M872 HydrophobicContact CG2-CB 3.61Å; T870-M872 PolarHBondContact O-N 2.86Å
873T37.4Very low43.8Very low29 Ų2949.9 Ų49.918%0.17826%0.256CS..  trans-124.169.1-179.4-39.20000110T868 T870T868-T873 PolarHBondContact OG1-OG1 3.35Å; T870-T873 VanDerWaalsContact CB-OG1 3.31Å; T870-T873 WeakPolarHBondContact CB-OG1 3.25Å; T870-T873 WeakPolarHBondContact CG2-OG1 3.43Å; T870-T873 VanDerWaalsContact OG1-CB 3.31Å; T870-T873 WeakPolarHBondContact OG1-CB 3.29Å; T870-T873 PolarHBondContact OG1-OG1 3.38Å
874I35.6Very low42.1Very low13 Ų1349.7 Ų49.77%0.06726%0.255CS..SBendtrans-79.8138.7154.3-53.5177000106.6Q111 V114 Y115 L876Q111-I874 HydrophobicContact CB-CD1 4.45Å; Q111-I874 HydrophobicContact CG-CD1 3.99Å; V114-I874 HydrophobicContact CB-CB 4.43Å; V114-I874 HydrophobicContact CB-CD1 4.39Å; V114-I874 HydrophobicContact CB-CG1 4.46Å; V114-I874 HydrophobicContact CG1-CB 3.82Å; V114-I874 HydrophobicContact CG1-CG1 4.3Å; V114-I874 HydrophobicContact CG2-CD1 4.4Å; V114-I874 HydrophobicContact CG2-CG1 4.35Å; Y115-I874 HydrophobicContact CD2-CD1 4.02Å; Y115-I874 HydrophobicContact CE1-CG2 4.15Å; Y115-I874 HydrophobicContact CE2-CD1 3.34Å; Y115-I874 HydrophobicContact CE2-CG1 4.49Å; Y115-I874 HydrophobicContact CE2-CG2 4.13Å; I874-L876 VanDerWaalsContact C-N 3.31Å; I874-L876 PolarHBondContact O-N 3.04Å
875H35.2Very low40.7Very low119 Ų11952.2 Ų52.255%0.55127%0.273SS*.SBendtrans50.7-31.5171.5-89.4-107.2000123T877H875-T877 PolarHBondContact O-N 2.78Å
876L29.9Very low40.1Very low30 Ų3056.3 Ų56.316%0.15729%0.288CS..  trans-87.752.4-163.4-153.178.2000117.2E118 H125 I874E118-L876 HydrophobicContact CG-CD1 4.38Å; E118-L876 WeakPolarHBondContact OE1-CD1 3.5Å; H125-L876 PolarHBondContact CE1-O 3.04Å; H125-L876 VanDerWaalsContact CE1-O 3.23Å; H125-L876 PolarHBondContact ND1-O 3.33Å; I874-L876 VanDerWaalsContact C-N 3.31Å; I874-L876 PolarHBondContact O-N 3.04Å
877T31.5Very low40.3Very low56 Ų5656.3 Ų56.334%0.34429%0.288SS..SBendtrans-139.7110.4153.560.50000112.5L766 H875L766-T877 HydrophobicContact CD2-CG2 3.7Å; H875-T877 PolarHBondContact O-N 2.78Å
878T31Very low41.2Very low56 Ų5652.7 Ų52.734%0.34428%0.276SS..  trans-84.5140.2-167.833.10000115.2P767 L880P767-T878 VanDerWaalsContact CD-OG1 3.31Å; P767-T878 WeakPolarHBondContact CD-OG1 3.36Å; P767-T878 WeakPolarHBondContact CG-OG1 3.36Å; P767-T878 PolarHBondContact O-OG1 2.88Å; P767-T878 VanDerWaalsContact O-OG1 3.14Å; T878-L880 PolarHBondContact O-N 3.24Å
879N27.3Very low42.5Very low80 Ų8052.3 Ų52.343%0.42827%0.273SS..SBendtrans69.514.7155-74-54.1000122.5F882N879-F882 HydrophobicContact CB-CZ 4.32Å; N879-F882 VanDerWaalsContact OD1-CE1 3.24Å; N879-F882 WeakPolarHBondContact OD1-CE1 3.21Å; N879-F882 WeakPolarHBondContact OD1-CZ 3.15Å
880L33.1Very low44.2Very low43 Ų4352.3 Ų52.323%0.22527%0.273CS..SBendtrans-143.8-7.4171.7-95.2117.3000120.3Y789 T878Y789-L880 HydrophobicContact CD1-CD2 4.22Å; Y789-L880 HydrophobicContact CD2-CD2 3.62Å; Y789-L880 HydrophobicContact CE1-CD2 4.24Å; Y789-L880 HydrophobicContact CE2-CD2 3.63Å; Y789-L880 HydrophobicContact CE2-CG 4.35Å; Y789-L880 HydrophobicContact CG-CD2 3.92Å; T878-L880 PolarHBondContact O-N 3.24Å
881F30.7Very low45.9Very low127 Ų12752.3 Ų52.356%0.55727%0.274SS*.SBendtrans-124.451.3169-89.4-79.1000110.7
882F33.3Very low47.7Very low125 Ų12550.8 Ų50.855%0.54827%0.265SS..THydrogen-bonded Turntrans-71.3156.1-163.9-95.7-164.2000116.1N879 N884N879-F882 HydrophobicContact CB-CZ 4.32Å; N879-F882 VanDerWaalsContact OD1-CE1 3.24Å; N879-F882 WeakPolarHBondContact OD1-CE1 3.21Å; N879-F882 WeakPolarHBondContact OD1-CZ 3.15Å; F882-N884 PolarHBondContact O-N 3.15Å
883S39.1Very low49.6Very low76 Ų7651 Ų5153%0.53127%0.266SS..THydrogen-bonded Turntrans68.10.5176.787.40000119.9
884N50.3Low51.8Low12 Ų1254.4 Ų54.46%0.06428%0.279CS..  trans-124.714-165.2-141.548.6000116.9N697 F882 S887 I888N697-N884 PolarHBondContact ND2-ND2 2.75Å; F882-N884 PolarHBondContact O-N 3.15Å; N884-S887 WeakPolarHBondContact O-CB 3.26Å; N884-S887 PolarHBondContact O-N 3.01Å; N884-S887 VanDerWaalsContact OD1-CB 3.31Å; N884-S887 WeakPolarHBondContact OD1-CB 3.45Å; N884-S887 PolarHBondContact OD1-OG 3.19Å; N884-I888 WeakPolarHBondContact O-CG1 3.22Å; N884-I888 PolarHBondContact O-N 3.09Å
885S55.3Low54Low53 Ų5353.8 Ų53.837%0.37128%0.275SS..Hα-helixtrans-62.2-51178.446.40000113S887 I888 Q889S885-S887 VanDerWaalsContact C-N 3.27Å; S885-S887 PolarHBondContact O-N 3.37Å; S885-I888 PolarHBondContact O-N 2.87Å; S885-I888 VanDerWaalsContact O-N 3.1Å; S885-Q889 PolarHBondContact O-N 3.15Å; S885-Q889 VanDerWaalsContact O-N 3.13Å
886Y62.5Low56.3Low89 Ų8950.3 Ų50.335%0.34926%0.26SS..Hα-helixtrans-54.7-42.7176.1-69.9-93.2000111.6W53 I888 Q889 L890W53-Y886 AromaticContact CH2-CD1 3.91Å; W53-Y886 HydrophobicContact CH2-CD1 3.91Å; W53-Y886 AromaticContact CZ2-CD1 3.57Å; W53-Y886 HydrophobicContact CZ2-CD1 3.57Å; W53-Y886 HydrophobicContact CZ2-CE1 4.32Å; W53-Y886 HydrophobicContact CZ2-CG 4.42Å; Y886-I888 VanDerWaalsContact C-N 3.33Å; Y886-I888 PolarHBondContact O-N 2.86Å; Y886-Q889 PolarHBondContact O-N 2.67Å; Y886-L890 WeakPolarHBondContact O-CB 3.37Å; Y886-L890 PolarHBondContact O-N 3.48Å
887S65Low58.9Low8 Ų850.6 Ų50.66%0.05626%0.261CS..Hα-helixtrans-59-41177.1-44.10000113P690 L701 N884 S885 S891P690-S887 VanDerWaalsContact CB-OG 3.28Å; P690-S887 WeakPolarHBondContact CB-OG 3.38Å; P690-S887 WeakPolarHBondContact CG-OG 3.47Å; L701-S887 VanDerWaalsContact CD2-C 3.42Å; L701-S887 WeakPolarHBondContact CD2-O 3.33Å; N884-S887 WeakPolarHBondContact O-CB 3.26Å; N884-S887 PolarHBondContact O-N 3.01Å; N884-S887 VanDerWaalsContact OD1-CB 3.31Å; N884-S887 WeakPolarHBondContact OD1-CB 3.45Å; N884-S887 PolarHBondContact OD1-OG 3.19Å; S885-S887 VanDerWaalsContact C-N 3.27Å; S885-S887 PolarHBondContact O-N 3.37Å; S887-S891 PolarHBondContact O-N 2.9Å; S887-S891 PolarHBondContact O-OG 2.96Å
888I68.1Low61.5Low42 Ų4252.1 Ų52.122%0.21527%0.266CS..Hα-helixtrans-69.3-48.1-179.9-67.1169000110L701 V704 N884 S885 Y886 L890 S891 I892L701-I888 HydrophobicContact CD2-CB 4.4Å; L701-I888 HydrophobicContact CD2-CG1 3.75Å; V704-I888 HydrophobicContact CG1-CG2 4.22Å; V704-I888 HydrophobicContact CG2-CG2 4.33Å; N884-I888 WeakPolarHBondContact O-CG1 3.22Å; N884-I888 PolarHBondContact O-N 3.09Å; S885-I888 PolarHBondContact O-N 2.87Å; S885-I888 VanDerWaalsContact O-N 3.1Å; Y886-I888 VanDerWaalsContact C-N 3.33Å; Y886-I888 PolarHBondContact O-N 2.86Å; I888-L890 VanDerWaalsContact C-N 3.31Å; I888-L890 PolarHBondContact O-N 3.42Å; I888-S891 WeakPolarHBondContact O-CB 3.45Å; I888-S891 PolarHBondContact O-N 3.5Å; I888-S891 VanDerWaalsContact O-N 3.14Å; I888-I892 HydrophobicContact CG2-CD1 4.44Å; I888-I892 WeakPolarHBondContact O-CG1 3.21Å; I888-I892 PolarHBondContact O-N 3.35Å
889Q69Low64.1Low21 Ų2149.7 Ų49.710%0.09825%0.251CS..Hα-helixtrans-59.8-41.9176.3-68.6-179.7-8.300111.7W53 S885 Y886 S891 I892 Y893W53-Q889 HydrophobicContact CZ2-CB 4.42Å; S885-Q889 PolarHBondContact O-N 3.15Å; S885-Q889 VanDerWaalsContact O-N 3.13Å; Y886-Q889 PolarHBondContact O-N 2.67Å; Q889-S891 PolarHBondContact O-N 2.88Å; Q889-I892 WeakPolarHBondContact O-CB 3.16Å; Q889-I892 PolarHBondContact O-N 3.17Å; Q889-Y893 HydrophobicContact CB-CE2 4.39Å; Q889-Y893 WeakPolarHBondContact O-CD2 3.38Å; Q889-Y893 PolarHBondContact O-N 2.86Å; Q889-Y893 VanDerWaalsContact O-N 3.08Å
890L74.7Confident66.7Low42 Ų4245.9 Ų45.922%0.2223%0.231CC..Hα-helixtrans-63.3-38.8175.4-171.962.7000112.3Y886 I888 F894Y886-L890 WeakPolarHBondContact O-CB 3.37Å; Y886-L890 PolarHBondContact O-N 3.48Å; I888-L890 VanDerWaalsContact C-N 3.31Å; I888-L890 PolarHBondContact O-N 3.42Å; L890-F894 HydrophobicContact CD1-CD2 3.92Å; L890-F894 HydrophobicContact CD1-CE2 3.48Å; L890-F894 VanDerWaalsContact CD1-CE2 3.48Å; L890-F894 HydrophobicContact CD1-CZ 4.14Å; L890-F894 HydrophobicContact CD2-CE2 4.07Å; L890-F894 HydrophobicContact CG-CD2 3.77Å; L890-F894 HydrophobicContact CG-CE2 3.56Å; L890-F894 WeakPolarHBondContact O-CB 3.42Å; L890-F894 VanDerWaalsContact O-CD2 3.28Å; L890-F894 WeakPolarHBondContact O-CD2 3.18Å; L890-F894 PolarHBondContact O-N 3.37Å
891S78.6Confident69.1Low21 Ų2145.1 Ų45.115%0.14723%0.231CC..Hα-helixtrans-64.1-39.7172.5-82.70000113.2L701 F705 S887 I888 Q889 G895L701-S891 PolarHBondContact O-OG 3.31Å; F705-S891 WeakPolarHBondContact CA-O 3.42Å; S887-S891 PolarHBondContact O-N 2.9Å; S887-S891 PolarHBondContact O-OG 2.96Å; I888-S891 WeakPolarHBondContact O-CB 3.45Å; I888-S891 PolarHBondContact O-N 3.5Å; I888-S891 VanDerWaalsContact O-N 3.14Å; Q889-S891 PolarHBondContact O-N 2.88Å; S891-G895 PolarHBondContact O-N 3.44Å
892I75.5Confident71.7Confident21 Ų2143 Ų4311%0.10823%0.225CC..Hα-helixtrans-57.5-57.7174.1-67.4170.4000109.2V704 D869 I888 Q889 F894 G895 Q896V704-I892 HydrophobicContact CG1-CB 4.49Å; V704-I892 HydrophobicContact CG1-CD1 4.3Å; V704-I892 HydrophobicContact CG1-CG1 3.4Å; D869-I892 WeakPolarHBondContact OD1-CD1 3.42Å; I888-I892 HydrophobicContact CG2-CD1 4.44Å; I888-I892 WeakPolarHBondContact O-CG1 3.21Å; I888-I892 PolarHBondContact O-N 3.35Å; Q889-I892 WeakPolarHBondContact O-CB 3.16Å; Q889-I892 PolarHBondContact O-N 3.17Å; I892-F894 PolarHBondContact O-N 2.94Å; I892-G895 WeakPolarHBondContact O-CA 3.4Å; I892-G895 PolarHBondContact O-N 3.02Å; I892-Q896 HydrophobicContact CG2-CG 4.48Å; I892-Q896 WeakPolarHBondContact O-CG 3.03Å; I892-Q896 PolarHBondContact O-N 3.03Å
893Y78.8Confident74Confident9 Ų937.2 Ų37.24%0.03520%0.2CC..Hα-helixtrans-63.2-39.3-176-61-53.9000113.2C49 I50 W53 L871 Q889 G895 Q896 L897C49-Y893 HydrophobicContact CB-CD1 3.94Å; C49-Y893 HydrophobicContact CB-CE1 3.85Å; I50-Y893 HydrophobicContact CG1-CD2 4.36Å; I50-Y893 HydrophobicContact CG1-CG 4Å; W53-Y893 HydrophobicContact CB-CE2 4Å; W53-Y893 AromaticContact CD1-CE2 3.74Å; W53-Y893 HydrophobicContact CD2-CE2 4.15Å; W53-Y893 AromaticContact CG-CE2 3.72Å; W53-Y893 HydrophobicContact CG-CE2 3.72Å; L871-Y893 HydrophobicContact CD2-CE1 4.45Å; L871-Y893 VanDerWaalsContact CD2-OH 3.25Å; L871-Y893 WeakPolarHBondContact CD2-OH 3.3Å; Q889-Y893 HydrophobicContact CB-CE2 4.39Å; Q889-Y893 WeakPolarHBondContact O-CD2 3.38Å; Q889-Y893 PolarHBondContact O-N 2.86Å; Q889-Y893 VanDerWaalsContact O-N 3.08Å; Y893-G895 VanDerWaalsContact C-N 3.3Å; Y893-G895 PolarHBondContact O-N 2.62Å; Y893-Q896 PolarHBondContact O-N 2.76Å; Y893-L897 VanDerWaalsContact O-CB 3.28Å; Y893-L897 WeakPolarHBondContact O-CB 3.49Å; Y893-L897 PolarHBondContact O-N 3.41Å
894F84.1Confident75.9Confident99 Ų9933.9 Ų33.943%0.43418%0.177SC..Hα-helixtrans-65.3-33.4173.3-80.2-51000112.7F705 L890 I892 L897 L898F705-F894 HydrophobicContact CD2-CB 3.97Å; F705-F894 VanDerWaalsContact CE2-C 3.46Å; F705-F894 HydrophobicContact CE2-CB 4Å; F705-F894 WeakPolarHBondContact CE2-O 3.48Å; L890-F894 HydrophobicContact CD1-CD2 3.92Å; L890-F894 HydrophobicContact CD1-CE2 3.48Å; L890-F894 VanDerWaalsContact CD1-CE2 3.48Å; L890-F894 HydrophobicContact CD1-CZ 4.14Å; L890-F894 HydrophobicContact CD2-CE2 4.07Å; L890-F894 HydrophobicContact CG-CD2 3.77Å; L890-F894 HydrophobicContact CG-CE2 3.56Å; L890-F894 WeakPolarHBondContact O-CB 3.42Å; L890-F894 VanDerWaalsContact O-CD2 3.28Å; L890-F894 WeakPolarHBondContact O-CD2 3.18Å; L890-F894 PolarHBondContact O-N 3.37Å; I892-F894 PolarHBondContact O-N 2.94Å; F894-L897 HydrophobicContact CD1-CD2 4.32Å; F894-L897 PolarHBondContact O-N 3.33Å; F894-L898 VanDerWaalsContact O-CB 3.32Å; F894-L898 WeakPolarHBondContact O-CB 3.49Å; F894-L898 PolarHBondContact O-N 2.86Å
895G80.7Confident77.3Confident0 Ų038.4 Ų38.40%020%0.199CC..Hα-helixtrans-63.6-49.9174.300000111.8F705 G709 S891 I892 Y893 L897 I899F705-G895 VanDerWaalsContact CD2-CA 3.41Å; F705-G895 WeakPolarHBondContact O-CA 3.21Å; G709-G895 VanDerWaalsContact CA-C 3.47Å; G709-G895 WeakPolarHBondContact CA-O 3.46Å; S891-G895 PolarHBondContact O-N 3.44Å; I892-G895 WeakPolarHBondContact O-CA 3.4Å; I892-G895 PolarHBondContact O-N 3.02Å; Y893-G895 VanDerWaalsContact C-N 3.3Å; Y893-G895 PolarHBondContact O-N 2.62Å; G895-L897 VanDerWaalsContact C-N 3.25Å; G895-L897 PolarHBondContact O-N 3.35Å; G895-I899 WeakPolarHBondContact O-CB 3.25Å; G895-I899 PolarHBondContact O-N 3.35Å
896Q82.9Confident78.5Confident47 Ų4740 Ų4022%0.2220%0.203CC..Hα-helixtrans-61-32.7175.5-61.7-174.9-9.600112.7A46 S708 T712 I892 Y893 P900A46-Q896 HydrophobicContact CB-CB 4.35Å; S708-Q896 WeakPolarHBondContact OG-CG 3.49Å; S708-Q896 PolarHBondContact OG-NE2 3.49Å; T712-Q896 WeakPolarHBondContact OG1-CG 3.27Å; I892-Q896 HydrophobicContact CG2-CG 4.48Å; I892-Q896 WeakPolarHBondContact O-CG 3.03Å; I892-Q896 PolarHBondContact O-N 3.03Å; Y893-Q896 PolarHBondContact O-N 2.76Å; Q896-P900 VanDerWaalsContact O-CD 3.32Å; Q896-P900 WeakPolarHBondContact O-CD 3.37Å; Q896-P900 WeakPolarHBondContact O-CG 3.23Å
897L84.8Confident79.2Confident36 Ų3636.5 Ų36.519%0.18819%0.19CC..Hα-helixtrans-77.3-53.2178.6179.660.2000112.8T43 A46 V47 I50 Y893 F894 G895T43-L897 HydrophobicContact CG2-CD1 4.05Å; A46-L897 HydrophobicContact CB-CB 3.97Å; A46-L897 HydrophobicContact CB-CD1 4.09Å; V47-L897 HydrophobicContact CG2-CD1 3.62Å; V47-L897 HydrophobicContact CG2-CD2 4.27Å; I50-L897 HydrophobicContact CD1-CD2 4.08Å; Y893-L897 VanDerWaalsContact O-CB 3.28Å; Y893-L897 WeakPolarHBondContact O-CB 3.49Å; Y893-L897 PolarHBondContact O-N 3.41Å; F894-L897 HydrophobicContact CD1-CD2 4.32Å; F894-L897 PolarHBondContact O-N 3.33Å; G895-L897 VanDerWaalsContact C-N 3.25Å; G895-L897 PolarHBondContact O-N 3.35Å
898L86.7Confident79.5Confident87 Ų8741.1 Ų41.146%0.45521%0.21SC..Hα-helixtrans-88.5-36.2-163.5-172.958.3000113.3F705 F894 A901 L902F705-L898 HydrophobicContact CE2-CB 4.31Å; F705-L898 HydrophobicContact CE2-CD2 4.47Å; F705-L898 HydrophobicContact CZ-CB 4.28Å; F705-L898 HydrophobicContact CZ-CD2 4.12Å; F894-L898 VanDerWaalsContact O-CB 3.32Å; F894-L898 WeakPolarHBondContact O-CB 3.49Å; F894-L898 PolarHBondContact O-N 2.86Å; L898-A901 PolarHBondContact O-N 2.95Å; L898-L902 HydrophobicContact CD1-CD1 4.34Å; L898-L902 HydrophobicContact CD1-CG 4.24Å; L898-L902 HydrophobicContact CG-CD1 3.9Å; L898-L902 HydrophobicContact CG-CG 4.28Å; L898-L902 WeakPolarHBondContact O-CB 3.11Å; L898-L902 VanDerWaalsContact O-CG 3.31Å; L898-L902 WeakPolarHBondContact O-CG 3.42Å; L898-L902 PolarHBondContact O-N 3.19Å
899I86.1Confident79.9Confident5 Ų545.5 Ų45.53%0.02623%0.23CC..Hα-helixtrans-72.2-45.3-173.1-66164.8000112.3F705 L706 G895 A901 L902 V903 L926F705-I899 HydrophobicContact CD1-CD1 3.87Å; F705-I899 HydrophobicContact CE1-CD1 3.53Å; F705-I899 HydrophobicContact CE1-CG1 3.91Å; F705-I899 HydrophobicContact CZ-CD1 3.92Å; F705-I899 HydrophobicContact CZ-CG1 3.91Å; F705-I899 WeakPolarHBondContact O-CD1 3.35Å; L706-I899 HydrophobicContact CD2-CD1 4.18Å; G895-I899 WeakPolarHBondContact O-CB 3.25Å; G895-I899 PolarHBondContact O-N 3.35Å; I899-A901 VanDerWaalsContact C-N 3.27Å; I899-A901 PolarHBondContact O-N 2.6Å; I899-L902 PolarHBondContact O-N 3.05Å; I899-V903 WeakPolarHBondContact O-CG2 3.28Å; I899-V903 PolarHBondContact O-N 2.78Å; I899-L926 HydrophobicContact CD1-CD2 4.49Å; I899-L926 HydrophobicContact CG2-CD1 3.55Å; I899-L926 HydrophobicContact CG2-CD2 3.85Å; I899-L926 HydrophobicContact CG2-CG 4.38Å
900P81Confident79.9Confident1 Ų145.8 Ų45.81%0.00624%0.236CC..Hα-helixtrans-59.8-37.2173.8-24.635000112.7T712 T713 Q896 V903 A904T712-P900 HydrophobicContact CG2-CG 3.81Å; T713-P900 WeakPolarHBondContact OG1-CA 3.12Å; T713-P900 WeakPolarHBondContact OG1-CG 3.45Å; Q896-P900 VanDerWaalsContact O-CD 3.32Å; Q896-P900 WeakPolarHBondContact O-CD 3.37Å; Q896-P900 WeakPolarHBondContact O-CG 3.23Å; P900-V903 PolarHBondContact O-N 3.3Å; P900-A904 WeakPolarHBondContact O-CB 3.46Å; P900-A904 PolarHBondContact O-N 3.11Å
901A82.8Confident79Confident26 Ų2647.9 Ų47.922%0.21525%0.247CC..Hα-helixtrans-65.4-44.8176.100000112.4T43 L898 I899 V903 A904 M905T43-A901 HydrophobicContact CG2-CB 3.8Å; L898-A901 PolarHBondContact O-N 2.95Å; I899-A901 VanDerWaalsContact C-N 3.27Å; I899-A901 PolarHBondContact O-N 2.6Å; A901-V903 VanDerWaalsContact C-N 3.34Å; A901-V903 PolarHBondContact O-N 3.12Å; A901-A904 PolarHBondContact O-N 2.95Å; A901-M905 WeakPolarHBondContact O-CG 3.35Å; A901-M905 PolarHBondContact O-N 2.76Å
902L85.3Confident77.7Confident82 Ų8256.1 Ų56.143%0.42928%0.28SS..Hα-helixtrans-62.5-40174.9-74.6171.6000112L898 I899 M905 L906L898-L902 HydrophobicContact CD1-CD1 4.34Å; L898-L902 HydrophobicContact CD1-CG 4.24Å; L898-L902 HydrophobicContact CG-CD1 3.9Å; L898-L902 HydrophobicContact CG-CG 4.28Å; L898-L902 WeakPolarHBondContact O-CB 3.11Å; L898-L902 VanDerWaalsContact O-CG 3.31Å; L898-L902 WeakPolarHBondContact O-CG 3.42Å; L898-L902 PolarHBondContact O-N 3.19Å; I899-L902 PolarHBondContact O-N 3.05Å; L902-M905 PolarHBondContact O-N 2.76Å; L902-L906 WeakPolarHBondContact O-CG 3.34Å; L902-L906 PolarHBondContact O-N 2.92Å
903V83.3Confident76.9Confident5 Ų563.4 Ų63.43%0.0331%0.306CS..Hα-helixtrans-69-37.9177.31720000111.5T713 I899 P900 A901 L906 H907 S922 L926T713-V903 HydrophobicContact CG2-CB 3.93Å; T713-V903 HydrophobicContact CG2-CG1 3.78Å; T713-V903 HydrophobicContact CG2-CG2 3.97Å; I899-V903 WeakPolarHBondContact O-CG2 3.28Å; I899-V903 PolarHBondContact O-N 2.78Å; P900-V903 PolarHBondContact O-N 3.3Å; A901-V903 VanDerWaalsContact C-N 3.34Å; A901-V903 PolarHBondContact O-N 3.12Å; V903-L906 PolarHBondContact O-N 3.13Å; V903-H907 PolarHBondContact O-CD2 2.93Å; V903-H907 PolarHBondContact O-N 2.84Å; V903-S922 WeakPolarHBondContact CG1-OG 3.43Å; V903-L926 HydrophobicContact CG2-CD1 4.15Å
904A77.2Confident76.4Confident5 Ų569.6 Ų69.64%0.04133%0.329CS..Hα-helixtrans-65.4-38.4171.700000113A39 F717 P900 A901 H907 H908A39-A904 HydrophobicContact CB-CB 3.21Å; F717-A904 HydrophobicContact CZ-CB 4.28Å; P900-A904 WeakPolarHBondContact O-CB 3.46Å; P900-A904 PolarHBondContact O-N 3.11Å; A901-A904 PolarHBondContact O-N 2.95Å; A904-H907 WeakPolarHBondContact O-CB 3.33Å; A904-H907 PolarHBondContact O-N 3.2Å; A904-H908 PolarHBondContact O-N 3.06Å
905M80.2Confident75.7Confident107 Ų10765.8 Ų65.853%0.52731%0.312SS..Hα-helixtrans-63.1-41.4171.3-76.5177.859.100112.2A901 L902 H907 H908 Q909A901-M905 WeakPolarHBondContact O-CG 3.35Å; A901-M905 PolarHBondContact O-N 2.76Å; L902-M905 PolarHBondContact O-N 2.76Å; M905-H907 VanDerWaalsContact C-N 3.34Å; M905-H908 PolarHBondContact O-N 2.87Å; M905-Q909 WeakPolarHBondContact O-CG 3.4Å; M905-Q909 PolarHBondContact O-N 3.36Å
906L81.6Confident75.4Confident87 Ų8766.3 Ų66.346%0.45532%0.316SS..Hα-helixtrans-62.7-41.4174.1-73.2170000111.3L902 V903 Q909 A910L902-L906 WeakPolarHBondContact O-CG 3.34Å; L902-L906 PolarHBondContact O-N 2.92Å; V903-L906 PolarHBondContact O-N 3.13Å; L906-Q909 PolarHBondContact O-N 2.92Å; L906-A910 WeakPolarHBondContact O-CB 3.29Å; L906-A910 PolarHBondContact O-N 2.83Å
907H76.2Confident75.1Confident16 Ų1664.6 Ų64.67%0.07431%0.309CS..Hα-helixtrans-60.7-43.9172.7-78.8-59.4000112.8V903 A904 M905 A910 Y915 H919V903-H907 PolarHBondContact O-CD2 2.93Å; V903-H907 PolarHBondContact O-N 2.84Å; A904-H907 WeakPolarHBondContact O-CB 3.33Å; A904-H907 PolarHBondContact O-N 3.2Å; M905-H907 VanDerWaalsContact C-N 3.34Å; H907-A910 PolarHBondContact O-N 3.09Å; H907-Y915 HydrophobicContact CB-CD2 4.27Å; H907-Y915 HydrophobicContact CB-CE2 3.71Å; H907-Y915 AromaticContact CD2-CE2 3.81Å; H907-Y915 AromaticContact CD2-CZ 3.59Å; H907-Y915 PolarHBondContact CD2-OH 3.11Å; H907-Y915 AromaticContact CE1-CD1 3.57Å; H907-Y915 AromaticContact CE1-CD2 3.75Å; H907-Y915 AromaticContact CE1-CE1 3.38Å; H907-Y915 WeakPolarHBondContact CE1-CE1 3.11Å; H907-Y915 AromaticContact CE1-CE2 3.57Å; H907-Y915 AromaticContact CE1-CG 3.74Å; H907-Y915 AromaticContact CE1-CZ 3.39Å; H907-Y915 PolarHBondContact CE1-O 3.32Å; H907-Y915 AromaticContact CG-CD2 3.89Å; H907-Y915 AromaticContact CG-CE2 3.33Å; H907-Y915 AromaticContact CG-CZ 3.64Å; H907-Y915 AromaticContact ND1-CD1 3.98Å; H907-Y915 AromaticContact ND1-CD2 3.28Å; H907-Y915 VanDerWaalsContact ND1-CD2 3.28Å; H907-Y915 WeakPolarHBondContact ND1-CD2 3.28Å; H907-Y915 AromaticContact ND1-CE1 3.9Å; H907-Y915 AromaticContact ND1-CE2 3.18Å; H907-Y915 WeakPolarHBondContact ND1-CE2 3.27Å; H907-Y915 AromaticContact ND1-CG 3.69Å; H907-Y915 AromaticContact ND1-CZ 3.52Å; H907-Y915 AromaticContact NE2-CE1 3.63Å; H907-Y915 AromaticContact NE2-CE2 3.97Å; H907-Y915 AromaticContact NE2-CZ 3.47Å; H907-H919 PolarHBondContact CE1-N 2.86Å; H907-H919 AromaticContact NE2-ND1 3.6Å
908H72.4Confident74.9Confident104 Ų10463.7 Ų63.748%0.48131%0.305SS..Hα-helixtrans-62.6-43.8175.9-175.9-82.9000112.7R34 D36 A904 M905 L911R34-H908 VanDerWaalsContact CZ-NE2 3.31Å; R34-H908 PolarHBondContact NH1-CD2 2.68Å; R34-H908 PolarHBondContact NH1-NE2 3.38Å; R34-H908 PolarHBondContact NH2-CD2 2.72Å; R34-H908 PolarHBondContact NH2-NE2 3.01Å; R34-H908 VanDerWaalsContact NH2-NE2 3.11Å; D36-H908 IonicContact OD2-CD2 3.66Å; D36-H908 PolarHBondContact OD2-CD2 3.41Å; D36-H908 IonicContact OD2-NE2 2.66Å; D36-H908 PolarHBondContact OD2-NE2 3.29Å; A904-H908 PolarHBondContact O-N 3.06Å; M905-H908 PolarHBondContact O-N 2.87Å; H908-L911 VanDerWaalsContact O-CD2 3.27Å; H908-L911 WeakPolarHBondContact O-CD2 3.27Å; H908-L911 VanDerWaalsContact O-CG 3.28Å; H908-L911 WeakPolarHBondContact O-CG 3.38Å
909Q75.2Confident74.8Confident135 Ų13559.6 Ų59.663%0.63128%0.284SS*.Hα-helixtrans-71.5-29.6179.6-71.1-179.45.800112.9M905 L906 L911M905-Q909 WeakPolarHBondContact O-CG 3.4Å; M905-Q909 PolarHBondContact O-N 3.36Å; L906-Q909 PolarHBondContact O-N 2.92Å; Q909-L911 PolarHBondContact O-N 3.39Å
910A69.3Low74.7Confident27 Ų2759.3 Ų59.322%0.22328%0.282CS..  trans-79.337.1-175.200000114.5L906 H907 F912 W913 V918L906-A910 WeakPolarHBondContact O-CB 3.29Å; L906-A910 PolarHBondContact O-N 2.83Å; H907-A910 PolarHBondContact O-N 3.09Å; A910-F912 PolarHBondContact O-N 3.06Å; A910-W913 HydrophobicContact CB-CB 4.45Å; A910-W913 PolarHBondContact O-N 2.92Å; A910-V918 HydrophobicContact CB-CB 4.41Å; A910-V918 HydrophobicContact CB-CG1 3.99Å; A910-V918 HydrophobicContact CB-CG2 3.52Å
911L56.5Low74.9Confident86 Ų8662.6 Ų62.645%0.4530%0.299SS..THydrogen-bonded Turntrans-49.9-10.1-177.3-63.7173.7000116.7I494 H908 Q909I494-L911 VanDerWaalsContact CD1-O 3.28Å; I494-L911 WeakPolarHBondContact CD1-O 3.48Å; H908-L911 VanDerWaalsContact O-CD2 3.27Å; H908-L911 WeakPolarHBondContact O-CD2 3.27Å; H908-L911 VanDerWaalsContact O-CG 3.28Å; H908-L911 WeakPolarHBondContact O-CG 3.38Å; Q909-L911 PolarHBondContact O-N 3.39Å
912F50.8Low75.1Confident194 Ų19461.8 Ų61.885%0.85129%0.292SS*.THydrogen-bonded Turntrans-118.62.1-178.3-61.2-78.4000113.9A910A910-F912 PolarHBondContact O-N 3.06Å
913W59.6Low75.3Confident173 Ų17357.9 Ų57.966%0.65527%0.272SS*.SBendtrans-115.2151-177.1-78.852.3000111.2A910 Y915 V918 I921A910-W913 HydrophobicContact CB-CB 4.45Å; A910-W913 PolarHBondContact O-N 2.92Å; W913-Y915 PolarHBondContact O-N 3.49Å; W913-V918 HydrophobicContact CB-CG2 3.74Å; W913-I921 HydrophobicContact CZ3-CD1 4.08Å
914R67Low75.7Confident139 Ų13959.2 Ų59.253%0.52528%0.278SS..  trans-61.8125.3174.3-70.7177173.6167.5-5.8109.2M822 G825 S916 C917 V918M822-R914 PolarHBondContact O-NH1 3.04Å; G825-R914 PolarHBondContact O-NH2 2.94Å; R914-S916 VanDerWaalsContact C-N 3.27Å; R914-S916 PolarHBondContact O-N 3.27Å; R914-C917 HydrophobicContact CB-CB 4.13Å; R914-C917 WeakPolarHBondContact O-CA 3.18Å; R914-C917 WeakPolarHBondContact O-CB 3.28Å; R914-C917 PolarHBondContact O-N 3.33Å; R914-V918 PolarHBondContact O-N 3.3Å; R914-V918 VanDerWaalsContact O-N 3.13Å
915Y69.4Low76.4Confident19 Ų1962.2 Ų62.28%0.07530%0.298CS..Hα-helixtrans-51.4-44.1-179.2-169.8-82.2000112.5E35 L721 Y725 H907 W913 C917 V918 H919E35-Y915 WeakPolarHBondContact OE2-CE2 3.37Å; L721-Y915 HydrophobicContact CD1-CD1 3.98Å; L721-Y915 HydrophobicContact CD1-CE1 4.39Å; Y725-Y915 HydrophobicContact CD1-CG 4.38Å; Y725-Y915 AromaticContact CD2-CD1 3.4Å; Y725-Y915 HydrophobicContact CD2-CD1 3.4Å; Y725-Y915 VanDerWaalsContact CD2-CD1 3.4Å; Y725-Y915 HydrophobicContact CD2-CE1 4.03Å; Y725-Y915 AromaticContact CD2-CG 3.72Å; Y725-Y915 HydrophobicContact CD2-CG 3.72Å; Y725-Y915 HydrophobicContact CE1-CD2 4.46Å; Y725-Y915 HydrophobicContact CE1-CG 4.05Å; Y725-Y915 AromaticContact CE2-CD1 3.32Å; Y725-Y915 HydrophobicContact CE2-CD1 3.32Å; Y725-Y915 AromaticContact CE2-CD2 3.75Å; Y725-Y915 HydrophobicContact CE2-CD2 3.75Å; Y725-Y915 AromaticContact CE2-CE1 3.74Å; Y725-Y915 HydrophobicContact CE2-CE1 3.74Å; Y725-Y915 HydrophobicContact CE2-CE2 4.11Å; Y725-Y915 AromaticContact CE2-CG 3.33Å; Y725-Y915 HydrophobicContact CE2-CG 3.33Å; Y725-Y915 HydrophobicContact CG-CD1 4.16Å; Y725-Y915 HydrophobicContact CG-CG 4.24Å; Y725-Y915 AromaticContact CZ-CD2 3.69Å; Y725-Y915 AromaticContact CZ-CG 3.52Å; H907-Y915 HydrophobicContact CB-CD2 4.27Å; H907-Y915 HydrophobicContact CB-CE2 3.71Å; H907-Y915 AromaticContact CD2-CE2 3.81Å; H907-Y915 AromaticContact CD2-CZ 3.59Å; H907-Y915 PolarHBondContact CD2-OH 3.11Å; H907-Y915 AromaticContact CE1-CD1 3.57Å; H907-Y915 AromaticContact CE1-CD2 3.75Å; H907-Y915 AromaticContact CE1-CE1 3.38Å; H907-Y915 WeakPolarHBondContact CE1-CE1 3.11Å; H907-Y915 AromaticContact CE1-CE2 3.57Å; H907-Y915 AromaticContact CE1-CG 3.74Å; H907-Y915 AromaticContact CE1-CZ 3.39Å; H907-Y915 PolarHBondContact CE1-O 3.32Å; H907-Y915 AromaticContact CG-CD2 3.89Å; H907-Y915 AromaticContact CG-CE2 3.33Å; H907-Y915 AromaticContact CG-CZ 3.64Å; H907-Y915 AromaticContact ND1-CD1 3.98Å; H907-Y915 AromaticContact ND1-CD2 3.28Å; H907-Y915 VanDerWaalsContact ND1-CD2 3.28Å; H907-Y915 WeakPolarHBondContact ND1-CD2 3.28Å; H907-Y915 AromaticContact ND1-CE1 3.9Å; H907-Y915 AromaticContact ND1-CE2 3.18Å; H907-Y915 WeakPolarHBondContact ND1-CE2 3.27Å; H907-Y915 AromaticContact ND1-CG 3.69Å; H907-Y915 AromaticContact ND1-CZ 3.52Å; H907-Y915 AromaticContact NE2-CE1 3.63Å; H907-Y915 AromaticContact NE2-CE2 3.97Å; H907-Y915 AromaticContact NE2-CZ 3.47Å; W913-Y915 PolarHBondContact O-N 3.49Å; Y915-C917 PolarHBondContact O-N 3.31Å; Y915-V918 PolarHBondContact O-N 3.09Å; Y915-V918 VanDerWaalsContact O-N 3.1Å; Y915-H919 PolarHBondContact O-N 3.32Å
916S74.2Confident76.9Confident11 Ų1158 Ų588%0.07728%0.278CS..Hα-helixtrans-60.9-27.9176.1-32.80000114.1Y725 R914 N920Y725-S916 WeakPolarHBondContact CB-OG 3.48Å; R914-S916 VanDerWaalsContact C-N 3.27Å; R914-S916 PolarHBondContact O-N 3.27Å; S916-N920 WeakPolarHBondContact O-CB 3.39Å; S916-N920 PolarHBondContact O-N 3.18Å; S916-N920 PolarHBondContact O-ND2 3.07Å
917C77.2Confident77.4Confident11 Ų1153.9 Ų53.97%0.07426%0.256CS..Hα-helixtrans-74.2-47.7173.4-164.10000110R914 Y915 H919 I921R914-C917 HydrophobicContact CB-CB 4.13Å; R914-C917 WeakPolarHBondContact O-CA 3.18Å; R914-C917 WeakPolarHBondContact O-CB 3.28Å; R914-C917 PolarHBondContact O-N 3.33Å; Y915-C917 PolarHBondContact O-N 3.31Å; C917-H919 PolarHBondContact O-N 3.4Å; C917-I921 VanDerWaalsContact O-CB 3.26Å; C917-I921 WeakPolarHBondContact O-CB 3.2Å; C917-I921 WeakPolarHBondContact O-CG1 3.43Å; C917-I921 PolarHBondContact O-N 3.47Å; C917-I921 VanDerWaalsContact SG-CD1 3.53Å
918V81.3Confident78.2Confident18 Ų1856.6 Ų56.611%0.10927%0.271CS..Hα-helixtrans-59.9-46178.4-176.80000111.3A910 W913 R914 Y915 S922A910-V918 HydrophobicContact CB-CB 4.41Å; A910-V918 HydrophobicContact CB-CG1 3.99Å; A910-V918 HydrophobicContact CB-CG2 3.52Å; W913-V918 HydrophobicContact CB-CG2 3.74Å; R914-V918 PolarHBondContact O-N 3.3Å; R914-V918 VanDerWaalsContact O-N 3.13Å; Y915-V918 PolarHBondContact O-N 3.09Å; Y915-V918 VanDerWaalsContact O-N 3.1Å; V918-S922 WeakPolarHBondContact O-CB 3.49Å; V918-S922 PolarHBondContact O-N 2.96Å; V918-S922 PolarHBondContact O-OG 3.12Å
919H83.3Confident79.1Confident0 Ų055.4 Ų55.40%027%0.267CS..Hα-helixtrans-60.7-57.3179.3-171.971.9000110.8Y714 H907 Y915 C917 I921 S922 V923Y714-H919 AromaticContact CD2-NE2 3.73Å; H907-H919 PolarHBondContact CE1-N 2.86Å; H907-H919 AromaticContact NE2-ND1 3.6Å; Y915-H919 PolarHBondContact O-N 3.32Å; C917-H919 PolarHBondContact O-N 3.4Å; H919-I921 VanDerWaalsContact C-N 3.32Å; H919-I921 PolarHBondContact O-N 2.99Å; H919-S922 PolarHBondContact O-N 3.3Å; H919-S922 PolarHBondContact O-OG 3.4Å; H919-V923 WeakPolarHBondContact O-CG2 3.3Å; H919-V923 PolarHBondContact O-N 3.03Å
920N84.3Confident79.8Confident0 Ų049 Ų490%024%0.237CC..Hα-helixtrans-68-30.1-175.5-69.3-73.2000112.8L817 T818 S821 S916 L924L817-N920 WeakPolarHBondContact CB-OD1 3.3Å; T818-N920 WeakPolarHBondContact OG1-CB 3.43Å; T818-N920 PolarHBondContact OG1-O 3.04Å; S821-N920 PolarHBondContact OG-ND2 3.46Å; S916-N920 WeakPolarHBondContact O-CB 3.39Å; S916-N920 PolarHBondContact O-N 3.18Å; S916-N920 PolarHBondContact O-ND2 3.07Å; N920-L924 WeakPolarHBondContact O-CB 3.49Å; N920-L924 PolarHBondContact O-N 2.89Å
921I85.8Confident80.8Confident69 Ų6948 Ų4835%0.35423%0.228SC..Hα-helixtrans-65.8-40.1169.5-71.4171.4000111.4T818 W913 C917 H919 L924 C925T818-I921 HydrophobicContact CG2-CG1 4.1Å; W913-I921 HydrophobicContact CZ3-CD1 4.08Å; C917-I921 VanDerWaalsContact O-CB 3.26Å; C917-I921 WeakPolarHBondContact O-CB 3.2Å; C917-I921 WeakPolarHBondContact O-CG1 3.43Å; C917-I921 PolarHBondContact O-N 3.47Å; C917-I921 VanDerWaalsContact SG-CD1 3.53Å; H919-I921 VanDerWaalsContact C-N 3.32Å; H919-I921 PolarHBondContact O-N 2.99Å; I921-L924 PolarHBondContact O-N 2.83Å; I921-C925 VanDerWaalsContact O-CB 3.27Å; I921-C925 WeakPolarHBondContact O-CB 3.24Å; I921-C925 PolarHBondContact O-N 3.39Å
922S87.4Confident82.5Confident10 Ų1047.7 Ų47.77%0.0723%0.226CC..Hα-helixtrans-65.9-42.7175.973.90000112.1V903 V918 H919 C925 L926V903-S922 WeakPolarHBondContact CG1-OG 3.43Å; V918-S922 WeakPolarHBondContact O-CB 3.49Å; V918-S922 PolarHBondContact O-N 2.96Å; V918-S922 PolarHBondContact O-OG 3.12Å; H919-S922 PolarHBondContact O-N 3.3Å; H919-S922 PolarHBondContact O-OG 3.4Å; S922-C925 PolarHBondContact O-N 3.35Å; S922-L926 WeakPolarHBondContact O-CB 3.29Å; S922-L926 VanDerWaalsContact O-CG 3.29Å; S922-L926 WeakPolarHBondContact O-CG 3.46Å; S922-L926 PolarHBondContact O-N 2.94Å
923V89.1Confident84.4Confident0 Ų038.7 Ų38.70%019%0.187CC..Hα-helixtrans-63.4-40.8175.8170.90000111.5L710 Y714 F857 H919 S927L710-V923 HydrophobicContact CD1-CB 4.36Å; L710-V923 HydrophobicContact CD1-CG1 4.06Å; L710-V923 HydrophobicContact CD1-CG2 4.39Å; Y714-V923 HydrophobicContact CD2-CG1 4.18Å; Y714-V923 HydrophobicContact CD2-CG2 4.07Å; F857-V923 HydrophobicContact CE1-CG1 4.19Å; F857-V923 HydrophobicContact CE2-CG1 3.68Å; F857-V923 HydrophobicContact CZ-CG1 3.48Å; F857-V923 VanDerWaalsContact CZ-CG1 3.48Å; H919-V923 WeakPolarHBondContact O-CG2 3.3Å; H919-V923 PolarHBondContact O-N 3.03Å; V923-S927 WeakPolarHBondContact O-CB 3.46Å; V923-S927 PolarHBondContact O-N 2.92Å; V923-S927 PolarHBondContact O-OG 2.87Å
924L91.4Very high85.6Confident33 Ų3330.5 Ų30.517%0.17316%0.156CC..Hα-helixtrans-64.1-46172.4177.558.2000111.9I815 N920 I921 S927 I928I815-L924 HydrophobicContact CD1-CD1 4.45Å; I815-L924 HydrophobicContact CG1-CD1 3.62Å; I815-L924 HydrophobicContact CG1-CD2 4.36Å; N920-L924 WeakPolarHBondContact O-CB 3.49Å; N920-L924 PolarHBondContact O-N 2.89Å; I921-L924 PolarHBondContact O-N 2.83Å; L924-S927 PolarHBondContact O-N 3.1Å; L924-I928 HydrophobicContact CD1-CD1 3.92Å; L924-I928 HydrophobicContact CD1-CG1 4.3Å; L924-I928 HydrophobicContact CG-CD1 3.97Å; L924-I928 VanDerWaalsContact O-CG1 3.3Å; L924-I928 WeakPolarHBondContact O-CG1 3.42Å; L924-I928 PolarHBondContact O-N 3.1Å
925C91.9Very high86.6Confident68 Ų6827 Ų2746%0.45915%0.147SC..Hα-helixtrans-60.9-47.1178.2-172.20000111.4I921 S922 S927 I928 L929I921-C925 VanDerWaalsContact O-CB 3.27Å; I921-C925 WeakPolarHBondContact O-CB 3.24Å; I921-C925 PolarHBondContact O-N 3.39Å; S922-C925 PolarHBondContact O-N 3.35Å; C925-S927 PolarHBondContact O-N 2.92Å; C925-I928 PolarHBondContact O-N 3.23Å; C925-L929 WeakPolarHBondContact O-CG 3.28Å; C925-L929 PolarHBondContact O-N 3.23Å
926L91.1Very high87.5Confident19 Ų1928.1 Ų28.110%0.09916%0.155CC..Hα-helixtrans-61.7-40.6175.1-71.5165.6000111.9L706 L710 I899 V903 S922 I928 L929 M930L706-L926 HydrophobicContact CD2-CD2 3.93Å; L710-L926 HydrophobicContact CD1-CB 3.75Å; L710-L926 HydrophobicContact CD1-CD1 3.96Å; L710-L926 HydrophobicContact CD2-CB 4.38Å; L710-L926 HydrophobicContact CG-CB 4.46Å; I899-L926 HydrophobicContact CD1-CD2 4.49Å; I899-L926 HydrophobicContact CG2-CD1 3.55Å; I899-L926 HydrophobicContact CG2-CD2 3.85Å; I899-L926 HydrophobicContact CG2-CG 4.38Å; V903-L926 HydrophobicContact CG2-CD1 4.15Å; S922-L926 WeakPolarHBondContact O-CB 3.29Å; S922-L926 VanDerWaalsContact O-CG 3.29Å; S922-L926 WeakPolarHBondContact O-CG 3.46Å; S922-L926 PolarHBondContact O-N 2.94Å; L926-I928 VanDerWaalsContact C-N 3.34Å; L926-I928 PolarHBondContact O-N 3.48Å; L926-L929 PolarHBondContact O-N 3.11Å; L926-M930 VanDerWaalsContact O-CB 3.25Å; L926-M930 WeakPolarHBondContact O-CB 3.46Å; L926-M930 PolarHBondContact O-N 2.96Å
927S91.3Very high87.9Confident0 Ų028.4 Ų28.40%016%0.155CC..Hα-helixtrans-63.8-37.3175.2-60.80000112.8S814 V923 L924 C925 S931S814-S927 PolarHBondContact OG-OG 2.82Å; V923-S927 WeakPolarHBondContact O-CB 3.46Å; V923-S927 PolarHBondContact O-N 2.92Å; V923-S927 PolarHBondContact O-OG 2.87Å; L924-S927 PolarHBondContact O-N 3.1Å; C925-S927 PolarHBondContact O-N 2.92Å; S927-S931 WeakPolarHBondContact O-CB 3.33Å; S927-S931 PolarHBondContact O-N 3.32Å; S927-S931 PolarHBondContact O-OG 3.48Å
928I93.1Very high88.3Confident73 Ų7330.8 Ų30.837%0.37416%0.164SC..Hα-helixtrans-68.9-47174.9-69.2164.8000110.7I811 L924 C925 L926 M930 S931 I932I811-I928 HydrophobicContact CD1-CG1 4Å; I811-I928 HydrophobicContact CG1-CG1 4.19Å; L924-I928 HydrophobicContact CD1-CD1 3.92Å; L924-I928 HydrophobicContact CD1-CG1 4.3Å; L924-I928 HydrophobicContact CG-CD1 3.97Å; L924-I928 VanDerWaalsContact O-CG1 3.3Å; L924-I928 WeakPolarHBondContact O-CG1 3.42Å; L924-I928 PolarHBondContact O-N 3.1Å; C925-I928 PolarHBondContact O-N 3.23Å; L926-I928 VanDerWaalsContact C-N 3.34Å; L926-I928 PolarHBondContact O-N 3.48Å; I928-M930 PolarHBondContact O-N 3.21Å; I928-S931 WeakPolarHBondContact O-CB 3.45Å; I928-S931 PolarHBondContact O-N 3.35Å; I928-I932 HydrophobicContact CG2-CD1 3.93Å; I928-I932 WeakPolarHBondContact O-CG1 3.47Å; I928-I932 PolarHBondContact O-N 2.92Å
929L92.6Very high88.6Confident79 Ų7933.7 Ų33.741%0.41418%0.178SC..Hα-helixtrans-59.3-46.8176.2-71169.2000111.3L706 C925 L926 S931 I932 T933L706-L929 HydrophobicContact CD1-CB 3.92Å; L706-L929 HydrophobicContact CD2-CB 4.44Å; C925-L929 WeakPolarHBondContact O-CG 3.28Å; C925-L929 PolarHBondContact O-N 3.23Å; L926-L929 PolarHBondContact O-N 3.11Å; L929-S931 VanDerWaalsContact C-N 3.33Å; L929-S931 PolarHBondContact O-N 3Å; L929-I932 PolarHBondContact O-N 3.47Å; L929-I932 VanDerWaalsContact O-N 3.17Å; L929-T933 WeakPolarHBondContact O-CG2 3.28Å; L929-T933 PolarHBondContact O-N 3.48Å
930M90Very high88.6Confident0 Ų035.4 Ų35.40%019%0.187CC..Hα-helixtrans-56.7-47.4175.7-178.9170.467.500110.9L706 N707 L710 C810 L926 I928 I932 T933 F934L706-M930 HydrophobicContact CB-CB 4.2Å; L706-M930 HydrophobicContact CD1-CB 4.5Å; N707-M930 HydrophobicContact CB-SD 3.72Å; N707-M930 PolarHBondContact OD1-SD 3.13Å; N707-M930 VanDerWaalsContact OD1-SD 3.4Å; L710-M930 HydrophobicContact CD2-CE 3.84Å; L710-M930 HydrophobicContact CD2-SD 4.4Å; C810-M930 HydrophobicContact CB-CE 4.09Å; L926-M930 VanDerWaalsContact O-CB 3.25Å; L926-M930 WeakPolarHBondContact O-CB 3.46Å; L926-M930 PolarHBondContact O-N 2.96Å; I928-M930 PolarHBondContact O-N 3.21Å; M930-I932 PolarHBondContact O-N 3.26Å; M930-T933 PolarHBondContact O-N 3.17Å; M930-T933 VanDerWaalsContact O-N 3.15Å; M930-T933 PolarHBondContact O-OG1 3.41Å; M930-F934 HydrophobicContact CG-CD2 3.84Å; M930-F934 HydrophobicContact CG-CE2 3.76Å; M930-F934 WeakPolarHBondContact O-CD2 3.39Å; M930-F934 PolarHBondContact O-N 2.8Å; M930-F934 HydrophobicContact SD-CE2 4.37Å
931S90.6Very high88.2Confident5 Ų536.4 Ų36.44%0.03519%0.193CC..Hα-helixtrans-58.4-44.6176.1-58.30000112.4C807 I811 S927 I928 L929 T933 F934 I935C807-S931 WeakPolarHBondContact CB-OG 3.37Å; I811-S931 WeakPolarHBondContact CD1-OG 3.46Å; S927-S931 WeakPolarHBondContact O-CB 3.33Å; S927-S931 PolarHBondContact O-N 3.32Å; S927-S931 PolarHBondContact O-OG 3.48Å; I928-S931 WeakPolarHBondContact O-CB 3.45Å; I928-S931 PolarHBondContact O-N 3.35Å; L929-S931 VanDerWaalsContact C-N 3.33Å; L929-S931 PolarHBondContact O-N 3Å; S931-T933 VanDerWaalsContact C-N 3.33Å; S931-T933 PolarHBondContact O-N 3.48Å; S931-F934 PolarHBondContact O-N 2.87Å; S931-I935 WeakPolarHBondContact O-CB 3.32Å; S931-I935 WeakPolarHBondContact O-CD1 3.29Å; S931-I935 WeakPolarHBondContact O-CG1 3.31Å; S931-I935 PolarHBondContact O-N 3.07Å
932I92.2Very high88Confident80 Ų8034.6 Ų34.641%0.4119%0.185SC..Hα-helixtrans-60.7-42.2176.5-67.7163.5000111I928 L929 M930 I935 N936I928-I932 HydrophobicContact CG2-CD1 3.93Å; I928-I932 WeakPolarHBondContact O-CG1 3.47Å; I928-I932 PolarHBondContact O-N 2.92Å; L929-I932 PolarHBondContact O-N 3.47Å; L929-I932 VanDerWaalsContact O-N 3.17Å; M930-I932 PolarHBondContact O-N 3.26Å; I932-I935 PolarHBondContact O-N 3.05Å; I932-N936 PolarHBondContact O-N 2.86Å
933T88.8Confident87.8Confident5 Ų540.2 Ų40.23%0.03121%0.212CC..Hα-helixtrans-65.3-41.3178.259.80000112.8W699 L702 S703 L706 L929 M930 S931 N936 H937W699-T933 HydrophobicContact CE3-CG2 3.93Å; W699-T933 HydrophobicContact CZ3-CG2 4.11Å; L702-T933 HydrophobicContact CB-CG2 4.28Å; L702-T933 HydrophobicContact CD2-CG2 3.7Å; L702-T933 HydrophobicContact CG-CG2 3.84Å; S703-T933 WeakPolarHBondContact CA-OG1 3.2Å; S703-T933 WeakPolarHBondContact CB-OG1 3.26Å; L706-T933 HydrophobicContact CD1-CG2 3.79Å; L929-T933 WeakPolarHBondContact O-CG2 3.28Å; L929-T933 PolarHBondContact O-N 3.48Å; M930-T933 PolarHBondContact O-N 3.17Å; M930-T933 VanDerWaalsContact O-N 3.15Å; M930-T933 PolarHBondContact O-OG1 3.41Å; S931-T933 VanDerWaalsContact C-N 3.33Å; S931-T933 PolarHBondContact O-N 3.48Å; T933-N936 PolarHBondContact O-N 2.84Å; T933-H937 WeakPolarHBondContact O-CB 3.29Å; T933-H937 PolarHBondContact O-N 3.32Å
934F85.4Confident87.3Confident1 Ų144.5 Ų44.50%0.00423%0.232CC..Hα-helixtrans-68.9-35.2174.2-81.2-70.9000113.1S703 Q803 L804 C807 S864 S866 M930 S931 H937 F938S703-F934 WeakPolarHBondContact OG-CE1 3.22Å; S703-F934 WeakPolarHBondContact OG-CZ 3.49Å; Q803-F934 HydrophobicContact CB-CD1 4.05Å; Q803-F934 HydrophobicContact CB-CE1 3.84Å; Q803-F934 HydrophobicContact CB-CZ 4.27Å; Q803-F934 HydrophobicContact CG-CE1 4.27Å; L804-F934 HydrophobicContact CD1-CB 4.45Å; C807-F934 WeakPolarHBondContact SG-CD2 3.18Å; S864-F934 VanDerWaalsContact O-CZ 3.25Å; S864-F934 WeakPolarHBondContact O-CZ 3.47Å; S866-F934 WeakPolarHBondContact OG-CZ 3.49Å; M930-F934 HydrophobicContact CG-CD2 3.84Å; M930-F934 HydrophobicContact CG-CE2 3.76Å; M930-F934 WeakPolarHBondContact O-CD2 3.39Å; M930-F934 PolarHBondContact O-N 2.8Å; M930-F934 HydrophobicContact SD-CE2 4.37Å; S931-F934 PolarHBondContact O-N 2.87Å; F934-H937 PolarHBondContact O-N 3.2Å; F934-F938 VanDerWaalsContact O-CB 3.22Å; F934-F938 WeakPolarHBondContact O-CB 3.35Å; F934-F938 PolarHBondContact O-N 3.06Å
935I89.3Confident86.5Confident65 Ų6544.4 Ų44.433%0.33323%0.231SC..Hα-helixtrans-60.9-47.5172.1-71.7164.2000110.2L804 S931 I932 H937 F938 I939L804-I935 HydrophobicContact CD1-CD1 4.45Å; L804-I935 HydrophobicContact CD1-CG1 3.57Å; S931-I935 WeakPolarHBondContact O-CB 3.32Å; S931-I935 WeakPolarHBondContact O-CD1 3.29Å; S931-I935 WeakPolarHBondContact O-CG1 3.31Å; S931-I935 PolarHBondContact O-N 3.07Å; I932-I935 PolarHBondContact O-N 3.05Å; I935-H937 PolarHBondContact O-N 3.07Å; I935-F938 PolarHBondContact O-N 3.43Å; I935-I939 HydrophobicContact CG2-CD1 3.72Å; I935-I939 HydrophobicContact CG2-CG1 4.45Å; I935-I939 WeakPolarHBondContact O-CB 3.46Å; I935-I939 VanDerWaalsContact O-CG1 3.26Å; I935-I939 WeakPolarHBondContact O-CG1 3.28Å; I935-I939 PolarHBondContact O-N 3.06Å
936N87.1Confident86Confident44 Ų4449.6 Ų49.624%0.23524%0.241CC..Hα-helixtrans-63.9-42.8178.9-71.1-16.4000112W699 I932 T933 I939 I940W699-N936 HydrophobicContact CD2-CB 3.58Å; W699-N936 HydrophobicContact CE3-CB 3.84Å; W699-N936 HydrophobicContact CG-CB 3.91Å; W699-N936 WeakPolarHBondContact CH2-ND2 3.38Å; W699-N936 HydrophobicContact CZ2-CB 4.35Å; W699-N936 WeakPolarHBondContact CZ2-ND2 3.44Å; W699-N936 HydrophobicContact CZ3-CB 4.33Å; W699-N936 WeakPolarHBondContact CZ3-ND2 3.41Å; I932-N936 PolarHBondContact O-N 2.86Å; T933-N936 PolarHBondContact O-N 2.84Å; N936-I939 PolarHBondContact O-N 3.19Å; N936-I940 VanDerWaalsContact O-CG1 3.32Å; N936-I940 WeakPolarHBondContact O-CG1 3.32Å; N936-I940 PolarHBondContact O-N 2.99Å
937H83.6Confident85.5Confident16 Ų1657.1 Ų57.17%0.07427%0.268CS..Hα-helixtrans-61.4-46.2173.6-179.5-114.4000112W699 T800 T933 F934 I935 I939 I940 V941W699-H937 HydrophobicContact CB-CB 4.01Å; T800-H937 VanDerWaalsContact CG2-CE1 3.49Å; T800-H937 WeakPolarHBondContact CG2-CE1 3.24Å; T800-H937 WeakPolarHBondContact CG2-ND1 3.44Å; T933-H937 WeakPolarHBondContact O-CB 3.29Å; T933-H937 PolarHBondContact O-N 3.32Å; F934-H937 PolarHBondContact O-N 3.2Å; I935-H937 PolarHBondContact O-N 3.07Å; H937-I939 PolarHBondContact O-N 3.2Å; H937-I940 PolarHBondContact O-N 2.97Å; H937-V941 WeakPolarHBondContact O-CG2 3.41Å; H937-V941 PolarHBondContact O-N 3Å
938F85Confident84.7Confident62 Ų6260 Ų6027%0.27228%0.284SS..Hα-helixtrans-60-41.6176.4176.6-90.9000112.5I797 F934 I935 T942I797-F938 HydrophobicContact CG2-CE2 4.09Å; F934-F938 VanDerWaalsContact O-CB 3.22Å; F934-F938 WeakPolarHBondContact O-CB 3.35Å; F934-F938 PolarHBondContact O-N 3.06Å; I935-F938 PolarHBondContact O-N 3.43Å; F938-T942 WeakPolarHBondContact O-CB 3.48Å; F938-T942 PolarHBondContact O-N 3.03Å; F938-T942 PolarHBondContact O-OG1 2.91Å
939I87.1Confident83.9Confident79 Ų7960.3 Ų60.341%0.40529%0.287SS..Hα-helixtrans-61.4-48.4174.8-71.4165.6000110.2I935 N936 H937 T942 M943I935-I939 HydrophobicContact CG2-CD1 3.72Å; I935-I939 HydrophobicContact CG2-CG1 4.45Å; I935-I939 WeakPolarHBondContact O-CB 3.46Å; I935-I939 VanDerWaalsContact O-CG1 3.26Å; I935-I939 WeakPolarHBondContact O-CG1 3.28Å; I935-I939 PolarHBondContact O-N 3.06Å; N936-I939 PolarHBondContact O-N 3.19Å; H937-I939 PolarHBondContact O-N 3.2Å; I939-T942 PolarHBondContact O-N 3.07Å; I939-M943 HydrophobicContact CG2-CG 4.37Å; I939-M943 HydrophobicContact CG2-SD 4.08Å; I939-M943 WeakPolarHBondContact O-CB 3.48Å; I939-M943 WeakPolarHBondContact O-CG 3.21Å; I939-M943 PolarHBondContact O-N 3.31Å
940I83Confident83.1Confident36 Ų3662 Ų6219%0.18530%0.295CS..Hα-helixtrans-62.6-49.8-179.1-68.8163.2000111.1P695 W699 N936 H937 T942 M943 E944P695-I940 HydrophobicContact CB-CD1 4.1Å; P695-I940 HydrophobicContact CG-CD1 4.18Å; W699-I940 HydrophobicContact CG-CD1 4.33Å; N936-I940 VanDerWaalsContact O-CG1 3.32Å; N936-I940 WeakPolarHBondContact O-CG1 3.32Å; N936-I940 PolarHBondContact O-N 2.99Å; H937-I940 PolarHBondContact O-N 2.97Å; I940-T942 VanDerWaalsContact C-N 3.27Å; I940-T942 PolarHBondContact O-N 2.79Å; I940-M943 PolarHBondContact O-N 3.49Å; I940-M943 VanDerWaalsContact O-N 3.16Å; I940-E944 WeakPolarHBondContact O-CB 3.42Å; I940-E944 PolarHBondContact O-N 3.32Å
941V75.7Confident82.1Confident20 Ų2066.2 Ų66.212%0.12132%0.317CS..Hα-helixtrans-59.6-38.5176.9173.60000111.2I797 H937 N945I797-V941 HydrophobicContact CG1-CG1 3.78Å; H937-V941 WeakPolarHBondContact O-CG2 3.41Å; H937-V941 PolarHBondContact O-N 3Å; V941-N945 VanDerWaalsContact O-CB 3.28Å; V941-N945 WeakPolarHBondContact O-CB 3.46Å; V941-N945 PolarHBondContact O-N 2.89Å
942T82.5Confident80.6Confident32 Ų3273.4 Ų73.420%0.19634%0.344CS..Hα-helixtrans-68.1-41.2176.1-62.70000112.2F938 I939 I940 R946F938-T942 WeakPolarHBondContact O-CB 3.48Å; F938-T942 PolarHBondContact O-N 3.03Å; F938-T942 PolarHBondContact O-OG1 2.91Å; I939-T942 PolarHBondContact O-N 3.07Å; I940-T942 VanDerWaalsContact C-N 3.27Å; I940-T942 PolarHBondContact O-N 2.79Å; T942-R946 WeakPolarHBondContact O-CG 3.45Å; T942-R946 PolarHBondContact O-N 2.88Å
943M83.2Confident79.1Confident127 Ų12774 Ų7463%0.62636%0.355SS*.Hα-helixtrans-67.3-40.4176.1-74.7-172.473.700112I939 I940 R946 R947I939-M943 HydrophobicContact CG2-CG 4.37Å; I939-M943 HydrophobicContact CG2-SD 4.08Å; I939-M943 WeakPolarHBondContact O-CB 3.48Å; I939-M943 WeakPolarHBondContact O-CG 3.21Å; I939-M943 PolarHBondContact O-N 3.31Å; I940-M943 PolarHBondContact O-N 3.49Å; I940-M943 VanDerWaalsContact O-N 3.16Å; M943-R946 PolarHBondContact O-N 2.94Å; M943-R947 WeakPolarHBondContact O-CB 3.3Å; M943-R947 PolarHBondContact O-N 3.29Å
944E77.6Confident77.7Confident90 Ų9078.3 Ų78.342%0.42138%0.382SS..Hα-helixtrans-64.7-45.3175.6-159.5-158.4133.700111I940 R946 R947 N948I940-E944 WeakPolarHBondContact O-CB 3.42Å; I940-E944 PolarHBondContact O-N 3.32Å; E944-R946 VanDerWaalsContact C-N 3.31Å; E944-R946 PolarHBondContact O-N 2.92Å; E944-R947 PolarHBondContact O-N 3.33Å; E944-R947 VanDerWaalsContact O-N 3.16Å; E944-N948 WeakPolarHBondContact O-CB 3.33Å; E944-N948 PolarHBondContact O-N 3.24Å; E944-N948 PolarHBondContact O-ND2 3.18Å; E944-N948 PolarHBondContact OE1-ND2 3.35Å
945N76Confident75.9Confident31 Ų3185.6 Ų85.617%0.16641%0.413CS..Hα-helixtrans-60.2-38.6173.7-175.952.5000111.8T793 I797 V941 N949T793-N945 WeakPolarHBondContact CB-OD1 3.15Å; T793-N945 PolarHBondContact OG1-OD1 3.38Å; I797-N945 HydrophobicContact CD1-CB 3.99Å; I797-N945 WeakPolarHBondContact CD1-ND2 3.32Å; V941-N945 VanDerWaalsContact O-CB 3.28Å; V941-N945 WeakPolarHBondContact O-CB 3.46Å; V941-N945 PolarHBondContact O-N 2.89Å; N945-N949 PolarHBondContact O-N 2.82Å; N945-N949 VanDerWaalsContact O-N 3.13Å; N945-N949 PolarHBondContact O-ND2 3.17Å; N945-N949 PolarHBondContact OD1-ND2 3.4Å
946R82Confident73.9Confident177 Ų17787.8 Ų87.867%0.66843%0.432SS*.Hα-helixtrans-63.4-47.5171.7-76.2179.5179.4-161.50.9111.8T942 M943 E944 N948 N949 L950T942-R946 WeakPolarHBondContact O-CG 3.45Å; T942-R946 PolarHBondContact O-N 2.88Å; M943-R946 PolarHBondContact O-N 2.94Å; E944-R946 VanDerWaalsContact C-N 3.31Å; E944-R946 PolarHBondContact O-N 2.92Å; R946-N948 VanDerWaalsContact C-N 3.35Å; R946-N948 PolarHBondContact O-N 2.95Å; R946-N949 PolarHBondContact O-N 3.08Å; R946-L950 WeakPolarHBondContact O-CG 3.28Å; R946-L950 PolarHBondContact O-N 3.09Å
947R80.1Confident71.7Confident177 Ų17792.2 Ų92.267%0.66846%0.455SS*.Hα-helixtrans-58.6-44.4177.7-172.6178.3-175.8173.11.5111.9M943 E944 N949 L950 L951M943-R947 WeakPolarHBondContact O-CB 3.3Å; M943-R947 PolarHBondContact O-N 3.29Å; E944-R947 PolarHBondContact O-N 3.33Å; E944-R947 VanDerWaalsContact O-N 3.16Å; R947-N949 VanDerWaalsContact C-N 3.31Å; R947-N949 PolarHBondContact O-N 2.86Å; R947-L950 PolarHBondContact O-N 2.96Å; R947-L951 HydrophobicContact CG-CD1 4.11Å; R947-L951 WeakPolarHBondContact O-CB 3.37Å; R947-L951 WeakPolarHBondContact O-CG 3.4Å; R947-L951 PolarHBondContact O-N 2.94Å
948N74.2Confident69.8Low62 Ų62102.9 Ų102.933%0.33250%0.495SS..Hα-helixtrans-67.8-28.5178.9-72.4-24.9000113E944 R946 R952E944-N948 WeakPolarHBondContact O-CB 3.33Å; E944-N948 PolarHBondContact O-N 3.24Å; E944-N948 PolarHBondContact O-ND2 3.18Å; E944-N948 PolarHBondContact OE1-ND2 3.35Å; R946-N948 VanDerWaalsContact C-N 3.35Å; R946-N948 PolarHBondContact O-N 2.95Å; N948-R952 PolarHBondContact O-N 2.91Å
949N76Confident67.7Low79 Ų79106.8 Ų106.842%0.42252%0.518SS..Hα-helixtrans-77.8-36.9171.7-74.7-57.9000112.6N945 R946 R947 R952 S953N945-N949 PolarHBondContact O-N 2.82Å; N945-N949 VanDerWaalsContact O-N 3.13Å; N945-N949 PolarHBondContact O-ND2 3.17Å; N945-N949 PolarHBondContact OD1-ND2 3.4Å; R946-N949 PolarHBondContact O-N 3.08Å; R947-N949 VanDerWaalsContact C-N 3.31Å; R947-N949 PolarHBondContact O-N 2.86Å; N949-R952 WeakPolarHBondContact O-CA 3.47Å; N949-R952 VanDerWaalsContact O-CB 3.32Å; N949-R952 WeakPolarHBondContact O-CB 3.49Å; N949-R952 PolarHBondContact O-N 3.18Å; N949-S953 PolarHBondContact O-N 3.19Å
950L75.2Confident65.7Low113 Ų113109.1 Ų109.159%0.59253%0.532SS*.Hα-helixtrans-63.8-44.7172.7-70.2167.2000111.6R946 R947 R952 S953 T954R946-L950 WeakPolarHBondContact O-CG 3.28Å; R946-L950 PolarHBondContact O-N 3.09Å; R947-L950 PolarHBondContact O-N 2.96Å; L950-R952 PolarHBondContact O-N 3.46Å; L950-S953 PolarHBondContact O-N 3.23Å; L950-S953 VanDerWaalsContact O-N 3.14Å; L950-S953 PolarHBondContact O-OG 3.1Å; L950-T954 PolarHBondContact O-N 3.04Å; L950-T954 PolarHBondContact O-OG1 3.11Å; L950-T954 VanDerWaalsContact O-OG1 3.1Å
951L69.3Low63.7Low90 Ų90115 Ų11547%0.47156%0.564SS.*Hα-helixtrans-64.6-1.3171.4-69.6170.1000114.3R947R947-L951 HydrophobicContact CG-CD1 4.11Å; R947-L951 WeakPolarHBondContact O-CB 3.37Å; R947-L951 WeakPolarHBondContact O-CG 3.4Å; R947-L951 PolarHBondContact O-N 2.94Å
952R59.7Low62.1Low155 Ų155121 Ų12159%0.58560%0.595SS**Hα-helixtrans-104.5-27.5174.6-171.2176.4176178.1-2.9112.7N948 N949 L950N948-R952 PolarHBondContact O-N 2.91Å; N949-R952 WeakPolarHBondContact O-CA 3.47Å; N949-R952 VanDerWaalsContact O-CB 3.32Å; N949-R952 WeakPolarHBondContact O-CB 3.49Å; N949-R952 PolarHBondContact O-N 3.18Å; L950-R952 PolarHBondContact O-N 3.46Å
953S61.4Low60Low92 Ų92126.4 Ų126.464%0.64362%0.623SS**Hα-helixtrans-84.2-22.2172.564.50000113.4N949 L950N949-S953 PolarHBondContact O-N 3.19Å; L950-S953 PolarHBondContact O-N 3.23Å; L950-S953 VanDerWaalsContact O-N 3.14Å; L950-S953 PolarHBondContact O-OG 3.1Å
954T58.5Low57.9Low97 Ų97128 Ų12860%0.59563%0.634SS**SBendtrans-88.93.6-176.854.40000115.7L950 P956L950-T954 PolarHBondContact O-N 3.04Å; L950-T954 PolarHBondContact O-OG1 3.11Å; L950-T954 VanDerWaalsContact O-OG1 3.1Å; T954-P956 WeakPolarHBondContact O-CD 3.22Å
955K47.5Very low56Low153 Ų153132.5 Ų132.567%0.66565%0.654SS**SBendtrans-83.9112.5168.9-76.6-148.8171-158.50109.8
956P46.5Very low54.3Low111 Ų111138.1 Ų138.172%0.72169%0.685SS**  trans-67.5144.4-179.428.4-35.1000111.4T954 R958T954-P956 WeakPolarHBondContact O-CD 3.22Å; P956-R958 PolarHBondContact O-N 3.34Å
957N41.8Very low52.3Low137 Ų137135.8 Ų135.873%0.73369%0.69SS**  trans-80.460.2-176-164.931000112.2N959N957-N959 PolarHBondContact O-N 3.24Å
958R42.9Very low50.2Low241 Ų241133.1 Ų133.191%0.90970%0.698SS**  trans-72.928.2-168-156.4-175.3177.1179.1-2.4114.9P956P956-R958 PolarHBondContact O-N 3.34Å
959N42.7Very low48.4Very low143 Ų143136.9 Ų136.977%0.76572%0.717SS**SBendtrans-137.423.2-159.2-139.297.2000115.6N957N957-N959 PolarHBondContact O-N 3.24Å
960N43.1Very low46.6Very low128 Ų128142.2 Ų142.268%0.68474%0.739SS**  trans-139.417.7-167.8-134.688.4000115.5
961N42.8Very low44.8Very low161 Ų161144.2 Ų144.286%0.86175%0.745SS**SBendtrans-107.4-3.6-172.5-93.848.1000115.9
962N40.6Very low43.3Very low145 Ų145144.5 Ų144.578%0.77575%0.754SS**SBendtrans-112.6147.2174.4-71.13.7000109.8
963N39.9Very low42.3Very low146 Ų146144 Ų14478%0.78176%0.764SS**  trans71.784.7178.4-51.6-4.5000115.3
964N37.8Very low41.2Very low161 Ų161142.9 Ų142.986%0.86177%0.766SS**  -174.7114.7101.6-87.9-11.2000111.9
965H38.9Very low40.2Very low183 Ų183147.8 Ų147.885%0.84778%0.779SS**  trans-69.2136.9150.4-86.9-80000108.5
966N39.2Very low39.9Very low149 Ų149148.1 Ų148.180%0.79779%0.787SS**  trans179142.7130.4-89.5-20000111.8
967T40Very low39.5Very low129 Ų129147.8 Ų147.879%0.79179%0.787SS**  trans7.5143.7151.259.10000119.7
968C36.3Very low39.7Very low121 Ų121147.8 Ų147.882%0.81879%0.792SS**  cis-155.8176.920.9-153.40000112.6
969L35.6Very low39.9Very low141 Ų141145.5 Ų145.574%0.73881%0.813SS**  trans-80.3156.5178.1-61.291.5000113.2
970H38.2Very low39.7Very low190 Ų190145.6 Ų145.688%0.8882%0.815SS**  -154.7150.8119.1-126-93.2000113.4
971H38.4Very low39.6Very low156 Ų156146.5 Ų146.572%0.72282%0.822SS**  trans-65158.3174.5-91.9-85.5000111.9
972S38.3Very low39.4Very low96 Ų96145.7 Ų145.767%0.67182%0.82SS**  -166.6151.361.2-165.80000115.6
973N38.4Very low39.3Very low145 Ų145145.8 Ų145.878%0.77582%0.823SS**  trans12141.7151-48.7-16.9000120.3
974G38.4Very low39.3Very low68 Ų68145.8 Ų145.870%0.70183%0.825SS**  cis150.1161.7-0.300000112.7
975K37.4Very low39.4Very low200 Ų200144.7 Ų144.787%0.8782%0.823SS**  trans74.9131.6-174.2-60.5-177.7178.9-179.90113.9
976I39.9Very low39.4Very low160 Ų160142 Ų14282%0.82182%0.821SS**  70.9123.453.1-59164.9000109.7
977S39Very low39.4Very low104 Ų104141.5 Ų141.573%0.72782%0.823SS**  cis-146.7170.715.447.30000114.3
978T45.6Very low39.4Very low136 Ų136142.5 Ų142.583%0.83483%0.826SS**  trans-26.6139.1166.250.70000119.2
979S47.2Very low39.7Very low193 Ų193144.5 Ų144.5100%1.3583%0.826SS**  trans-132.90136.265.10000108.4

Retrieved 979 of 979 residues in 253.9 ms (Link to these results)

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