A0A077Z9G9_TRITR Loading...

Proton myo inositol cotransporter

AlphaFold DB , UniProt , Accession A0A077Z9G9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 577 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
1M31.5Very low57.5Low246 Ų246126 Ų126100%1.21264%0.64SS**  090.80-77.3177.9179.100108.6R3M1-R3 PolarHBondContact O-N 3.07Å
2A40.4Very low59.7Low101 Ų101122.3 Ų122.384%0.83564%0.642SS**  trans-75.9100.6163.900000105.9E4A2-E4 PolarHBondContact O-N 2.92Å; A2-E4 VanDerWaalsContact O-N 3.15Å
3R43.7Very low61.7Low210 Ų210118.9 Ų118.979%0.79262%0.617SS**  trans-49.5124.6158.6-103.5178.8171.6177.2-2.4105M1 M5M1-R3 PolarHBondContact O-N 3.07Å; R3-M5 HydrophobicContact CB-CG 4.37Å; R3-M5 PolarHBondContact O-N 3.01Å
4E44.2Very low63.4Low195 Ų195110.7 Ų110.791%0.91157%0.574SS**  trans-61.585167.6-77.6-174.4152.700107.2A2 K6A2-E4 PolarHBondContact O-N 2.92Å; A2-E4 VanDerWaalsContact O-N 3.15Å; E4-K6 PolarHBondContact O-N 3.02Å
5M54.5Low65.1Low77 Ų77109.5 Ų109.538%0.37957%0.568SS.*PPolyproline II helixtrans-66.8122.6178.6-73.1167.5173.900106.7R3 I227 A230R3-M5 HydrophobicContact CB-CG 4.37Å; R3-M5 PolarHBondContact O-N 3.01Å; M5-I227 HydrophobicContact CB-CD1 4.28Å; M5-I227 HydrophobicContact CB-CG1 3.99Å; M5-I227 HydrophobicContact CG-CG1 4.05Å; M5-I227 HydrophobicContact SD-CB 4.19Å; M5-I227 HydrophobicContact SD-CG1 3.41Å; M5-I227 WeakPolarHBondContact SD-CG1 3.28Å; M5-A230 HydrophobicContact CE-CB 3.92Å
6K58.7Low66.7Low165 Ų165107.6 Ų107.672%0.71756%0.556SS**PPolyproline II helixtrans-57.6141.2177.7-71.1-178.2179.3178.20108.7E4 T8 N223E4-K6 PolarHBondContact O-N 3.02Å; K6-T8 PolarHBondContact O-N 2.7Å; K6-N223 PolarHBondContact O-ND2 3.1Å
7P62.1Low68Low99 Ų99101.3 Ų101.364%0.64352%0.524SS*.PPolyproline II helixtrans-60.1126.4176.724.5-32.1000109.6
8T66.9Low69.1Low9 Ų996.6 Ų96.66%0.05550%0.5CS..PPolyproline II helixtrans-72150.8171.951.50000110K6 H136 Y218 N223 I227K6-T8 PolarHBondContact O-N 2.7Å; T8-H136 PolarHBondContact O-CE1 2.84Å; T8-H136 PolarHBondContact O-NE2 2.71Å; T8-Y218 WeakPolarHBondContact CB-O 3.22Å; T8-Y218 HydrophobicContact CG2-CD1 4.38Å; T8-Y218 WeakPolarHBondContact CG2-O 3.43Å; T8-N223 WeakPolarHBondContact CG2-ND2 3.29Å; T8-I227 HydrophobicContact CG2-CD1 3.6Å
9K73.8Confident70.3Confident193 Ų19393.9 Ų93.984%0.83949%0.494SS*.PPolyproline II helixtrans-67.7148.9172.6-67.2-178.9-179.6177.60109.2T11K9-T11 PolarHBondContact O-N 3.29Å
10A74.6Confident71.4Confident46 Ų4689.8 Ų89.838%0.3847%0.472SS..  trans-66.3115.2174.300000110.1M14 I15 L137A10-M14 HydrophobicContact CB-SD 4.34Å; A10-I15 HydrophobicContact CB-CD1 4.13Å; A10-I15 HydrophobicContact CB-CG1 4.16Å; A10-L137 HydrophobicContact CB-CD1 3.93Å
11T82.4Confident72.4Confident45 Ų4585.5 Ų85.528%0.27645%0.45SS..  trans-69.7144.8175.1-50.60000110.3K9 Y13 M14 I15 S216 I217K9-T11 PolarHBondContact O-N 3.29Å; T11-Y13 PolarHBondContact O-N 2.82Å; T11-Y13 VanDerWaalsContact O-N 3.16Å; T11-M14 WeakPolarHBondContact O-CB 3.47Å; T11-M14 PolarHBondContact O-N 3.23Å; T11-I15 PolarHBondContact O-N 3.32Å; T11-I15 VanDerWaalsContact O-N 3.08Å; T11-S216 VanDerWaalsContact CB-O 3.24Å; T11-S216 WeakPolarHBondContact CB-O 3.34Å; T11-S216 VanDerWaalsContact CG2-O 3.27Å; T11-S216 WeakPolarHBondContact CG2-O 3.2Å; T11-S216 PolarHBondContact OG1-O 3.03Å; T11-I217 PolarHBondContact OG1-O 2.88Å
12A84.2Confident75.3Confident81 Ų8174.2 Ų74.267%0.66940%0.395SS*.Hα-helixtrans-53.5-37.2176.400000112.5I15 M16A12-I15 PolarHBondContact O-N 2.95Å; A12-M16 PolarHBondContact O-N 3.37Å
13Y85.4Confident77.8Confident79 Ų7972.2 Ų72.231%0.3137%0.369SS..Hα-helixtrans-63.8-42.4175.9-170.3-103.4000113.1T11 M16 M17 A195 S216T11-Y13 PolarHBondContact O-N 2.82Å; T11-Y13 VanDerWaalsContact O-N 3.16Å; Y13-M16 HydrophobicContact CD2-CE 3.67Å; Y13-M16 HydrophobicContact CE2-CE 3.62Å; Y13-M16 PolarHBondContact O-N 3.02Å; Y13-M17 HydrophobicContact CD1-CE 3.38Å; Y13-M17 HydrophobicContact CD1-CG 4.27Å; Y13-M17 HydrophobicContact CD1-SD 3.89Å; Y13-M17 HydrophobicContact CE1-CE 3.35Å; Y13-M17 HydrophobicContact CE1-CG 3.93Å; Y13-M17 HydrophobicContact CE1-SD 3.26Å; Y13-M17 WeakPolarHBondContact CE1-SD 3.45Å; Y13-M17 HydrophobicContact CG-CE 4.47Å; Y13-M17 WeakPolarHBondContact O-CG 3.21Å; Y13-M17 PolarHBondContact O-N 3.49Å; Y13-A195 HydrophobicContact CE1-CB 4.44Å; Y13-S216 VanDerWaalsContact CD1-CB 3.44Å; Y13-S216 WeakPolarHBondContact CD1-OG 3.4Å; Y13-S216 WeakPolarHBondContact CE1-OG 3.25Å
14M85.8Confident80.1Confident4 Ų462.2 Ų62.22%0.0233%0.331CS..Hα-helixtrans-61.4-44.4174-177.7-151.3151.500111.2A10 T11 M16 M17 T18 T133 P134 L137 I217A10-M14 HydrophobicContact CB-SD 4.34Å; T11-M14 WeakPolarHBondContact O-CB 3.47Å; T11-M14 PolarHBondContact O-N 3.23Å; M14-M16 VanDerWaalsContact C-N 3.33Å; M14-M16 PolarHBondContact O-N 3Å; M14-M17 PolarHBondContact O-N 2.95Å; M14-T18 HydrophobicContact CE-CG2 4.12Å; M14-T18 HydrophobicContact CG-CG2 4.37Å; M14-T18 WeakPolarHBondContact O-CB 3.43Å; M14-T18 VanDerWaalsContact O-CG2 3.32Å; M14-T18 WeakPolarHBondContact O-CG2 3.22Å; M14-T18 PolarHBondContact O-N 3.41Å; M14-T18 PolarHBondContact O-OG1 2.95Å; M14-T133 HydrophobicContact CE-CG2 3.7Å; M14-P134 HydrophobicContact CE-CG 4.17Å; M14-P134 VanDerWaalsContact SD-CD 3.53Å; M14-P134 HydrophobicContact SD-CG 3.79Å; M14-L137 HydrophobicContact CE-CB 4.23Å; M14-L137 HydrophobicContact CE-CD1 3.78Å; M14-L137 HydrophobicContact SD-CD1 4.18Å; M14-I217 HydrophobicContact CG-CG2 4.25Å
15I87.8Confident82.3Confident93 Ų9352.9 Ų52.948%0.47729%0.288SS..Hα-helixtrans-61.2-44.7178-63.6171.6000110.1A10 T11 A12 T18 A19A10-I15 HydrophobicContact CB-CD1 4.13Å; A10-I15 HydrophobicContact CB-CG1 4.16Å; T11-I15 PolarHBondContact O-N 3.32Å; T11-I15 VanDerWaalsContact O-N 3.08Å; A12-I15 PolarHBondContact O-N 2.95Å; I15-T18 WeakPolarHBondContact CA-OG1 2.95Å; I15-T18 PolarHBondContact O-N 3.15Å; I15-T18 PolarHBondContact O-OG1 3.45Å; I15-A19 VanDerWaalsContact O-CB 3.25Å; I15-A19 WeakPolarHBondContact O-CB 2.84Å; I15-A19 PolarHBondContact O-N 3.17Å
16M90.6Very high84.2Confident78 Ų7851 Ų5138%0.38428%0.278SS..Hα-helixtrans-60.3-50.5176.3-175.7-174.973.600112A12 Y13 M14 T18 A19 I20A12-M16 PolarHBondContact O-N 3.37Å; Y13-M16 HydrophobicContact CD2-CE 3.67Å; Y13-M16 HydrophobicContact CE2-CE 3.62Å; Y13-M16 PolarHBondContact O-N 3.02Å; M14-M16 VanDerWaalsContact C-N 3.33Å; M14-M16 PolarHBondContact O-N 3Å; M16-T18 PolarHBondContact O-N 3.1Å; M16-A19 PolarHBondContact O-N 3.44Å; M16-I20 HydrophobicContact CG-CD1 3.9Å; M16-I20 VanDerWaalsContact O-CG1 3.25Å; M16-I20 WeakPolarHBondContact O-CG1 3.44Å; M16-I20 PolarHBondContact O-N 3.24Å
17M89.1Confident85.9Confident1 Ų143.2 Ų43.21%0.00524%0.244CC..Hα-helixtrans-61.8-43.5179.7-72.2-169.5-65.500112.7Y13 M14 I20 A21 L194 A195 I217Y13-M17 HydrophobicContact CD1-CE 3.38Å; Y13-M17 HydrophobicContact CD1-CG 4.27Å; Y13-M17 HydrophobicContact CD1-SD 3.89Å; Y13-M17 HydrophobicContact CE1-CE 3.35Å; Y13-M17 HydrophobicContact CE1-CG 3.93Å; Y13-M17 HydrophobicContact CE1-SD 3.26Å; Y13-M17 WeakPolarHBondContact CE1-SD 3.45Å; Y13-M17 HydrophobicContact CG-CE 4.47Å; Y13-M17 WeakPolarHBondContact O-CG 3.21Å; Y13-M17 PolarHBondContact O-N 3.49Å; M14-M17 PolarHBondContact O-N 2.95Å; M17-I20 PolarHBondContact O-N 3.05Å; M17-A21 WeakPolarHBondContact O-CB 3.41Å; M17-A21 PolarHBondContact O-N 3.29Å; M17-L194 HydrophobicContact CB-CD1 4.13Å; M17-L194 HydrophobicContact CG-CD1 4.4Å; M17-L194 WeakPolarHBondContact O-CD1 3.49Å; M17-A195 HydrophobicContact SD-CB 3.52Å; M17-A195 VanDerWaalsContact SD-CB 3.52Å; M17-I217 HydrophobicContact CE-CD1 4.08Å; M17-I217 HydrophobicContact CE-CG1 3.54Å
18T88.2Confident87.3Confident16 Ų1638.7 Ų38.710%0.09821%0.214CC..Hα-helixtrans-67-40.2178.952.40000111.3M14 I15 M16 A21 V22 V141M14-T18 HydrophobicContact CE-CG2 4.12Å; M14-T18 HydrophobicContact CG-CG2 4.37Å; M14-T18 WeakPolarHBondContact O-CB 3.43Å; M14-T18 VanDerWaalsContact O-CG2 3.32Å; M14-T18 WeakPolarHBondContact O-CG2 3.22Å; M14-T18 PolarHBondContact O-N 3.41Å; M14-T18 PolarHBondContact O-OG1 2.95Å; I15-T18 WeakPolarHBondContact CA-OG1 2.95Å; I15-T18 PolarHBondContact O-N 3.15Å; I15-T18 PolarHBondContact O-OG1 3.45Å; M16-T18 PolarHBondContact O-N 3.1Å; T18-A21 PolarHBondContact O-N 3.38Å; T18-V22 VanDerWaalsContact O-CB 3.25Å; T18-V22 WeakPolarHBondContact O-CB 3.28Å; T18-V22 WeakPolarHBondContact O-CG2 3.47Å; T18-V22 PolarHBondContact O-N 3.37Å; T18-V141 HydrophobicContact CG2-CG1 3.84Å; T18-V141 HydrophobicContact CG2-CG2 4.32Å
19A91.3Very high88.4Confident47 Ų4738.2 Ų38.239%0.38821%0.212SC..Hα-helixtrans-59.9-49174.300000111.8I15 M16 A21 V22 I23I15-A19 VanDerWaalsContact O-CB 3.25Å; I15-A19 WeakPolarHBondContact O-CB 2.84Å; I15-A19 PolarHBondContact O-N 3.17Å; M16-A19 PolarHBondContact O-N 3.44Å; A19-A21 PolarHBondContact O-N 2.95Å; A19-V22 PolarHBondContact O-N 3.08Å; A19-I23 WeakPolarHBondContact O-CD1 3.42Å; A19-I23 VanDerWaalsContact O-CG1 3.22Å; A19-I23 WeakPolarHBondContact O-CG1 3.39Å; A19-I23 PolarHBondContact O-N 2.94Å
20I92.5Very high89.4Confident10 Ų1029 Ų295%0.05117%0.172CC..Hα-helixtrans-59.7-46.5178.4-66.1167.6000111M16 M17 I23 L190 L191 L194M16-I20 HydrophobicContact CG-CD1 3.9Å; M16-I20 VanDerWaalsContact O-CG1 3.25Å; M16-I20 WeakPolarHBondContact O-CG1 3.44Å; M16-I20 PolarHBondContact O-N 3.24Å; M17-I20 PolarHBondContact O-N 3.05Å; I20-I23 PolarHBondContact O-N 3.18Å; I20-L190 HydrophobicContact CG1-CB 4.18Å; I20-L190 HydrophobicContact CG2-CB 3.96Å; I20-L191 HydrophobicContact CG2-CD2 4.19Å; I20-L194 HydrophobicContact CB-CD1 4.29Å; I20-L194 HydrophobicContact CG2-CD1 4.15Å
21A92Very high90.3Very high0 Ų026.9 Ų26.90%015%0.154CC..Hα-helixtrans-65.8-43-179.700000112M17 T18 A19 I23 S24 V125 Y128 L129 L194M17-A21 WeakPolarHBondContact O-CB 3.41Å; M17-A21 PolarHBondContact O-N 3.29Å; T18-A21 PolarHBondContact O-N 3.38Å; A19-A21 PolarHBondContact O-N 2.95Å; A21-I23 PolarHBondContact O-N 2.81Å; A21-S24 WeakPolarHBondContact O-CB 3.35Å; A21-S24 PolarHBondContact O-N 3.44Å; A21-S24 PolarHBondContact O-OG 3.27Å; A21-V125 VanDerWaalsContact O-CG1 3.24Å; A21-V125 WeakPolarHBondContact O-CG1 3.3Å; A21-Y128 HydrophobicContact CB-CD1 3.74Å; A21-Y128 HydrophobicContact CB-CE1 3.83Å; A21-L129 HydrophobicContact CB-CD2 3.53Å; A21-L129 HydrophobicContact CB-CG 4.27Å; A21-L194 HydrophobicContact CB-CD1 4.41Å
22V92.1Very high90.6Very high9 Ų925.8 Ų25.86%0.05515%0.146CC..Hα-helixtrans-66.3-34.5179.8166.70000112.5T18 A19 S24 G25 L129 V141 L144 L148T18-V22 VanDerWaalsContact O-CB 3.25Å; T18-V22 WeakPolarHBondContact O-CB 3.28Å; T18-V22 WeakPolarHBondContact O-CG2 3.47Å; T18-V22 PolarHBondContact O-N 3.37Å; A19-V22 PolarHBondContact O-N 3.08Å; V22-S24 PolarHBondContact O-N 3Å; V22-S24 VanDerWaalsContact O-N 3.13Å; V22-G25 PolarHBondContact O-N 3.16Å; V22-L129 HydrophobicContact CG2-CD1 3.77Å; V22-L129 HydrophobicContact CG2-CD2 3.99Å; V22-V141 HydrophobicContact CG2-CG1 4.27Å; V22-L144 HydrophobicContact CG1-CB 3.78Å; V22-L144 HydrophobicContact CG2-CB 4.19Å; V22-L148 HydrophobicContact CG1-CB 4.26Å; V22-L148 HydrophobicContact CG1-CD2 3.49Å; V22-L148 VanDerWaalsContact CG1-CD2 3.49Å; V22-L148 HydrophobicContact CG1-CG 3.71Å
23I93.8Very high91Very high59 Ų5922.5 Ų22.530%0.30312%0.118SC..Hα-helixtrans-55.3-30.1175.3-75.6164.2000111.8A19 I20 A21 G25 F26 P27 L190A19-I23 WeakPolarHBondContact O-CD1 3.42Å; A19-I23 VanDerWaalsContact O-CG1 3.22Å; A19-I23 WeakPolarHBondContact O-CG1 3.39Å; A19-I23 PolarHBondContact O-N 2.94Å; I20-I23 PolarHBondContact O-N 3.18Å; A21-I23 PolarHBondContact O-N 2.81Å; I23-G25 PolarHBondContact O-N 2.85Å; I23-F26 WeakPolarHBondContact O-CB 3.37Å; I23-F26 PolarHBondContact O-N 3.14Å; I23-P27 VanDerWaalsContact O-CD 3.3Å; I23-P27 WeakPolarHBondContact O-CD 3.41Å; I23-L190 HydrophobicContact CD1-CD1 3.9Å
24S91.6Very high91.4Very high0 Ų018.7 Ų18.70%010%0.104CC..THydrogen-bonded Turntrans-56.8-19.1175-44.20000114.2A21 V22 F26 Q187A21-S24 WeakPolarHBondContact O-CB 3.35Å; A21-S24 PolarHBondContact O-N 3.44Å; A21-S24 PolarHBondContact O-OG 3.27Å; V22-S24 PolarHBondContact O-N 3Å; V22-S24 VanDerWaalsContact O-N 3.13Å; S24-F26 VanDerWaalsContact C-N 3.33Å; S24-Q187 PolarHBondContact OG-NE2 3.22Å
25G90.8Very high91.6Very high0 Ų018.6 Ų18.60%010%0.103CC..Hα-helixtrans-69.5-30.2173.100000113V22 I23 I28 G29 F145 V149V22-G25 PolarHBondContact O-N 3.16Å; I23-G25 PolarHBondContact O-N 2.85Å; G25-I28 WeakPolarHBondContact O-CB 3.44Å; G25-I28 PolarHBondContact O-N 3.43Å; G25-G29 PolarHBondContact O-N 3.13Å; G25-G29 VanDerWaalsContact O-N 3.08Å; G25-F145 VanDerWaalsContact CA-CE2 3.44Å; G25-V149 VanDerWaalsContact O-CA 3.31Å; G25-V149 WeakPolarHBondContact O-CA 3.37Å; G25-V149 WeakPolarHBondContact O-CG2 3Å
26F94.4Very high91.8Very high38 Ų3814.6 Ų14.617%0.1678%0.083CC..Hα-helixtrans-64.1-50.3-174.9-177.9-77.7000112.7I23 S24 I28 G29 Y30 L151 V155 T183I23-F26 WeakPolarHBondContact O-CB 3.37Å; I23-F26 PolarHBondContact O-N 3.14Å; S24-F26 VanDerWaalsContact C-N 3.33Å; F26-I28 VanDerWaalsContact C-N 3.29Å; F26-I28 PolarHBondContact O-N 2.88Å; F26-G29 PolarHBondContact O-N 3.33Å; F26-G29 VanDerWaalsContact O-N 3.12Å; F26-Y30 HydrophobicContact CE1-CD2 4.3Å; F26-Y30 WeakPolarHBondContact O-CB 3.24Å; F26-Y30 PolarHBondContact O-N 3.44Å; F26-L151 HydrophobicContact CD2-CD2 4.35Å; F26-L151 HydrophobicContact CD2-CG 4.21Å; F26-L151 HydrophobicContact CE2-CG 4.15Å; F26-V155 HydrophobicContact CE2-CB 4.02Å; F26-V155 HydrophobicContact CE2-CG1 4.37Å; F26-V155 HydrophobicContact CE2-CG2 3.98Å; F26-V155 HydrophobicContact CZ-CB 3.83Å; F26-V155 HydrophobicContact CZ-CG1 3.77Å; F26-V155 HydrophobicContact CZ-CG2 4.23Å; F26-T183 HydrophobicContact CD1-CG2 4.08Å; F26-T183 HydrophobicContact CE1-CG2 3.51Å
27P93.4Very high91.8Very high1 Ų111.1 Ų11.11%0.0067%0.067CC..Hα-helixtrans-62.9-34.4178.5-27.139.2000113.1I23 Y30 H31 V184I23-P27 VanDerWaalsContact O-CD 3.3Å; I23-P27 WeakPolarHBondContact O-CD 3.41Å; P27-Y30 PolarHBondContact O-N 3.45Å; P27-H31 WeakPolarHBondContact O-CB 3.49Å; P27-H31 PolarHBondContact O-CD2 3.27Å; P27-H31 VanDerWaalsContact O-CD2 3.22Å; P27-H31 PolarHBondContact O-N 3.21Å; P27-V184 HydrophobicContact CB-CG2 3.88Å; P27-V184 HydrophobicContact CG-CG2 4.33Å
28I92Very high92Very high3 Ų311 Ų112%0.0157%0.067CC..Hα-helixtrans-58.4-51.1173.3-60.3173.5000109.8G25 F26 Y30 M32 F91 I118 T121 F145 F526G25-I28 WeakPolarHBondContact O-CB 3.44Å; G25-I28 PolarHBondContact O-N 3.43Å; F26-I28 VanDerWaalsContact C-N 3.29Å; F26-I28 PolarHBondContact O-N 2.88Å; I28-Y30 PolarHBondContact O-N 3.45Å; I28-M32 HydrophobicContact CG2-CG 4.42Å; I28-M32 VanDerWaalsContact O-CB 3.26Å; I28-M32 WeakPolarHBondContact O-CB 3.29Å; I28-M32 WeakPolarHBondContact O-CG 3.37Å; I28-M32 PolarHBondContact O-N 2.96Å; I28-M32 VanDerWaalsContact O-N 3.16Å; I28-F91 HydrophobicContact CG1-CE2 4.17Å; I28-F91 HydrophobicContact CG1-CZ 3.89Å; I28-I118 HydrophobicContact CG2-CG2 4.02Å; I28-T121 HydrophobicContact CD1-CG2 3.83Å; I28-T121 HydrophobicContact CG1-CG2 4.39Å; I28-F145 HydrophobicContact CD1-CE2 4.37Å; I28-F145 HydrophobicContact CD1-CZ 3.81Å; I28-F526 HydrophobicContact CG2-CZ 4.46Å
29G91.3Very high92Very high0 Ų010.4 Ų10.40%06%0.063CC..Hα-helixtrans-59-46.4177.600000113G25 F26 M32 A33 V149 Q153G25-G29 PolarHBondContact O-N 3.13Å; G25-G29 VanDerWaalsContact O-N 3.08Å; F26-G29 PolarHBondContact O-N 3.33Å; F26-G29 VanDerWaalsContact O-N 3.12Å; G29-M32 PolarHBondContact O-N 3.09Å; G29-A33 PolarHBondContact O-N 2.93Å; G29-A33 VanDerWaalsContact O-N 3.09Å; G29-V149 WeakPolarHBondContact CA-O 3.09Å; G29-Q153 VanDerWaalsContact O-CG 3.31Å; G29-Q153 WeakPolarHBondContact O-CG 3.48Å
30Y94.4Very high91.9Very high0 Ų08.5 Ų8.50%05%0.046CC..Hα-helixtrans-59.5-56-178.5-174.3-84.7000111.8F26 P27 I28 M32 A33 I34 G152 S156 L159 M176 G180F26-Y30 HydrophobicContact CE1-CD2 4.3Å; F26-Y30 WeakPolarHBondContact O-CB 3.24Å; F26-Y30 PolarHBondContact O-N 3.44Å; P27-Y30 PolarHBondContact O-N 3.45Å; I28-Y30 PolarHBondContact O-N 3.45Å; Y30-M32 VanDerWaalsContact C-N 3.26Å; Y30-M32 PolarHBondContact O-N 3.19Å; Y30-A33 PolarHBondContact O-N 3.36Å; Y30-A33 VanDerWaalsContact O-N 3.17Å; Y30-I34 HydrophobicContact CD1-CB 4.39Å; Y30-I34 HydrophobicContact CE1-CB 4.09Å; Y30-I34 HydrophobicContact CE1-CD1 4.32Å; Y30-I34 HydrophobicContact CE1-CG1 3.97Å; Y30-I34 HydrophobicContact CE1-CG2 4.41Å; Y30-I34 WeakPolarHBondContact O-CB 3.43Å; Y30-I34 PolarHBondContact O-N 2.92Å; Y30-G152 WeakPolarHBondContact CA-O 3.43Å; Y30-S156 PolarHBondContact O-OG 3.2Å; Y30-L159 HydrophobicContact CE2-CB 4.48Å; Y30-L159 HydrophobicContact CE2-CD1 3.7Å; Y30-M176 WeakPolarHBondContact CE1-O 3.27Å; Y30-M176 PolarHBondContact OH-O 3Å; Y30-G180 VanDerWaalsContact CD1-CA 3.42Å; Y30-G180 VanDerWaalsContact CE1-N 3.31Å
31H92.2Very high91.7Very high0 Ų08.9 Ų8.90%05%0.048CC..Hα-helixtrans-67.2-26.5-176.3-80.4-66000113.9P27 F91 T95 L114P27-H31 WeakPolarHBondContact O-CB 3.49Å; P27-H31 PolarHBondContact O-CD2 3.27Å; P27-H31 VanDerWaalsContact O-CD2 3.22Å; P27-H31 PolarHBondContact O-N 3.21Å; H31-F91 HydrophobicContact CB-CE1 4.24Å; H31-F91 AromaticContact CD2-CD1 3.79Å; H31-F91 AromaticContact CD2-CE1 3.71Å; H31-T95 PolarHBondContact CE1-OG1 3.37Å; H31-T95 PolarHBondContact NE2-OG1 2.87Å; H31-L114 HydrophobicContact CB-CD1 4.11Å; H31-L114 HydrophobicContact CB-CD2 3.71Å; H31-L114 HydrophobicContact CB-CG 4.23Å
32M90.2Very high91.5Very high22 Ų228.9 Ų8.911%0.1085%0.048CC..Hα-helixtrans-74.1-36.6174.3-72.7-68.8-83.600112.3I28 G29 Y30 I35 T60 I118 F283I28-M32 HydrophobicContact CG2-CG 4.42Å; I28-M32 VanDerWaalsContact O-CB 3.26Å; I28-M32 WeakPolarHBondContact O-CB 3.29Å; I28-M32 WeakPolarHBondContact O-CG 3.37Å; I28-M32 PolarHBondContact O-N 2.96Å; I28-M32 VanDerWaalsContact O-N 3.16Å; G29-M32 PolarHBondContact O-N 3.09Å; Y30-M32 VanDerWaalsContact C-N 3.26Å; Y30-M32 PolarHBondContact O-N 3.19Å; M32-I35 WeakPolarHBondContact O-CG2 3.26Å; M32-T60 HydrophobicContact SD-CG2 4.3Å; M32-I118 HydrophobicContact CG-CD1 4.09Å; M32-I118 HydrophobicContact SD-CD1 3.77Å; M32-F283 HydrophobicContact CB-CE1 4.14Å; M32-F283 HydrophobicContact CE-CE1 3.62Å; M32-F283 HydrophobicContact CE-CE2 4.39Å; M32-F283 HydrophobicContact CE-CZ 3.28Å; M32-F283 VanDerWaalsContact O-CD1 3.29Å; M32-F283 WeakPolarHBondContact O-CD1 3.4Å; M32-F283 HydrophobicContact SD-CE1 4.34Å; M32-F283 HydrophobicContact SD-CZ 4.41Å
33A91.9Very high91.1Very high12 Ų129.7 Ų9.710%0.0995%0.05CC..Hα-helixtrans-89.5-29.2-178.600000114G29 Y30 I35 S36 Q153G29-A33 PolarHBondContact O-N 2.93Å; G29-A33 VanDerWaalsContact O-N 3.09Å; Y30-A33 PolarHBondContact O-N 3.36Å; Y30-A33 VanDerWaalsContact O-N 3.17Å; A33-I35 PolarHBondContact O-N 3.11Å; A33-I35 VanDerWaalsContact O-N 3.09Å; A33-S36 WeakPolarHBondContact O-CB 3.37Å; A33-S36 PolarHBondContact O-N 2.97Å; A33-Q153 HydrophobicContact CB-CB 3.83Å; A33-Q153 HydrophobicContact CB-CG 3.96Å
34I93.6Very high90.3Very high0 Ų08 Ų80%04%0.04CC..Hα-helixtrans-62.5-26.5-172.4-164.257.1000112.6Y30 S36 G37 A38 S156 A160 M176Y30-I34 HydrophobicContact CD1-CB 4.39Å; Y30-I34 HydrophobicContact CE1-CB 4.09Å; Y30-I34 HydrophobicContact CE1-CD1 4.32Å; Y30-I34 HydrophobicContact CE1-CG1 3.97Å; Y30-I34 HydrophobicContact CE1-CG2 4.41Å; Y30-I34 WeakPolarHBondContact O-CB 3.43Å; Y30-I34 PolarHBondContact O-N 2.92Å; I34-S36 PolarHBondContact O-N 3.14Å; I34-G37 PolarHBondContact O-N 3.12Å; I34-A38 WeakPolarHBondContact O-CB 3.3Å; I34-A38 PolarHBondContact O-N 3Å; I34-S156 WeakPolarHBondContact CA-OG 3.38Å; I34-S156 VanDerWaalsContact CB-OG 3.24Å; I34-S156 WeakPolarHBondContact CB-OG 3.38Å; I34-S156 WeakPolarHBondContact CD1-OG 3.36Å; I34-S156 PolarHBondContact N-OG 2.96Å; I34-A160 HydrophobicContact CD1-CB 4.01Å; I34-M176 HydrophobicContact CD1-CB 3.83Å; I34-M176 HydrophobicContact CD1-CG 4.46Å; I34-M176 HydrophobicContact CG1-CB 4.07Å; I34-M176 WeakPolarHBondContact CG1-O 3.36Å
35I91.2Very high89.8Confident2 Ų29.4 Ų9.41%0.015%0.047CC..Hα-helixtrans-60.2-31.2174.4-162.539000111.9M32 A33 G37 A38 M39 L42 I56 V57 R111M32-I35 WeakPolarHBondContact O-CG2 3.26Å; A33-I35 PolarHBondContact O-N 3.11Å; A33-I35 VanDerWaalsContact O-N 3.09Å; I35-G37 PolarHBondContact O-N 3.36Å; I35-A38 PolarHBondContact O-N 3.29Å; I35-M39 HydrophobicContact CD1-CE 3.61Å; I35-M39 HydrophobicContact CG1-CE 3.79Å; I35-M39 WeakPolarHBondContact O-CA 3.32Å; I35-M39 WeakPolarHBondContact O-CB 3.25Å; I35-M39 PolarHBondContact O-N 2.99Å; I35-L42 HydrophobicContact CD1-CD1 4.28Å; I35-I56 HydrophobicContact CD1-CG2 4.08Å; I35-I56 HydrophobicContact CG1-CG2 4.47Å; I35-V57 HydrophobicContact CG1-CG2 4.17Å; I35-R111 VanDerWaalsContact CB-NH2 3.28Å; I35-R111 VanDerWaalsContact CD1-NH2 3.32Å
36S90.9Very high89.3Confident9 Ų910.9 Ų10.96%0.0635%0.053CC..Hα-helixtrans-60.5-51.3-178.8-163.70000111.3A33 I34 F283 A285 A286A33-S36 WeakPolarHBondContact O-CB 3.37Å; A33-S36 PolarHBondContact O-N 2.97Å; I34-S36 PolarHBondContact O-N 3.14Å; S36-F283 WeakPolarHBondContact CA-O 3.29Å; S36-F283 WeakPolarHBondContact CB-O 3.19Å; S36-F283 PolarHBondContact OG-O 3.44Å; S36-A285 PolarHBondContact OG-N 2.83Å; S36-A285 VanDerWaalsContact OG-N 3.13Å; S36-A286 WeakPolarHBondContact O-CB 3.27Å; S36-A286 PolarHBondContact OG-N 3.41Å
37G91.2Very high88.4Confident4 Ų412 Ų124%0.0416%0.06CC..Hα-helixtrans-70.3-47.1175.500000112.4I34 I35 M39 L40 M301I34-G37 PolarHBondContact O-N 3.12Å; I35-G37 PolarHBondContact O-N 3.36Å; G37-M39 PolarHBondContact O-N 3.05Å; G37-L40 PolarHBondContact O-N 3.37Å; G37-M301 WeakPolarHBondContact O-CE 3.42Å
38A92Very high87.7Confident0 Ų012 Ų120%06%0.06CC..Hα-helixtrans-61.9-29.8-178.400000113I34 I35 L40 I41 L42 M176I34-A38 WeakPolarHBondContact O-CB 3.3Å; I34-A38 PolarHBondContact O-N 3Å; I35-A38 PolarHBondContact O-N 3.29Å; A38-L40 VanDerWaalsContact C-N 3.29Å; A38-L40 PolarHBondContact O-N 3.03Å; A38-I41 PolarHBondContact O-N 2.92Å; A38-L42 HydrophobicContact CB-CD1 4.06Å; A38-L42 WeakPolarHBondContact O-CB 3.3Å; A38-L42 VanDerWaalsContact O-CG 3.24Å; A38-L42 WeakPolarHBondContact O-CG 3.5Å; A38-L42 PolarHBondContact O-N 2.81Å; A38-M176 HydrophobicContact CB-SD 4.5Å
39M89.8Confident87.2Confident3 Ų313.9 Ų13.92%0.0157%0.074CC..Hα-helixtrans-62.5-34.1-179.7-168.364.973.800112.4I35 G37 I41 L42 R43 L48 Q53 I56 V57I35-M39 HydrophobicContact CD1-CE 3.61Å; I35-M39 HydrophobicContact CG1-CE 3.79Å; I35-M39 WeakPolarHBondContact O-CA 3.32Å; I35-M39 WeakPolarHBondContact O-CB 3.25Å; I35-M39 PolarHBondContact O-N 2.99Å; G37-M39 PolarHBondContact O-N 3.05Å; M39-I41 VanDerWaalsContact C-N 3.27Å; M39-I41 PolarHBondContact O-N 3.33Å; M39-L42 PolarHBondContact O-N 3.35Å; M39-R43 VanDerWaalsContact O-CB 3.22Å; M39-R43 WeakPolarHBondContact O-CB 3.35Å; M39-R43 PolarHBondContact O-N 2.92Å; M39-L48 HydrophobicContact SD-CD1 4.07Å; M39-Q53 HydrophobicContact CE-CB 4.22Å; M39-Q53 HydrophobicContact SD-CB 3.96Å; M39-Q53 HydrophobicContact SD-CG 3.74Å; M39-I56 HydrophobicContact CE-CB 4.43Å; M39-I56 HydrophobicContact CE-CG2 4.02Å; M39-V57 HydrophobicContact CE-CG2 3.97Å
40L88Confident86.7Confident6 Ų617 Ų173%0.0319%0.09CC..Hα-helixtrans-57.9-43.1176.6-67.6-177.8000111.1G37 A38 F44 A286 K290 D297 A300 M301G37-L40 PolarHBondContact O-N 3.37Å; A38-L40 VanDerWaalsContact C-N 3.29Å; A38-L40 PolarHBondContact O-N 3.03Å; L40-F44 WeakPolarHBondContact O-CD2 3.36Å; L40-F44 WeakPolarHBondContact O-CE2 3.47Å; L40-A286 HydrophobicContact CD1-CB 3.8Å; L40-A286 HydrophobicContact CG-CB 4.19Å; L40-K290 HydrophobicContact CD2-CB 3.72Å; L40-K290 HydrophobicContact CD2-CG 4.1Å; L40-D297 HydrophobicContact CD1-CB 4.4Å; L40-A300 HydrophobicContact CD1-CB 4.14Å; L40-M301 HydrophobicContact CB-CE 4.07Å; L40-M301 HydrophobicContact CD1-CE 3.98Å; L40-M301 HydrophobicContact CD1-CG 3.94Å
41I88.2Confident86.2Confident19 Ų1923.4 Ų23.410%0.09712%0.12CC..Hα-helixtrans-77.9-44.7179.6-56.7169.8000110.9A38 M39 R43 F44 K45 W173 M176 M301A38-I41 PolarHBondContact O-N 2.92Å; M39-I41 VanDerWaalsContact C-N 3.27Å; M39-I41 PolarHBondContact O-N 3.33Å; I41-R43 VanDerWaalsContact C-N 3.32Å; I41-R43 PolarHBondContact O-N 3.38Å; I41-F44 PolarHBondContact O-N 2.65Å; I41-K45 WeakPolarHBondContact O-CB 3.41Å; I41-K45 PolarHBondContact O-N 3.03Å; I41-W173 HydrophobicContact CB-CB 4.39Å; I41-W173 HydrophobicContact CD1-CB 4.23Å; I41-W173 HydrophobicContact CG2-CB 4.31Å; I41-W173 HydrophobicContact CG2-CG 4.39Å; I41-M176 HydrophobicContact CD1-CE 3.62Å; I41-M176 HydrophobicContact CD1-SD 4.38Å; I41-M301 HydrophobicContact CD1-CE 4.17Å; I41-M301 HydrophobicContact CG1-CE 4.19Å
42L87.9Confident85.9Confident0 Ų024.4 Ų24.40%013%0.125CC..Hα-helixtrans-64.4-34.7-177-72.1168.3000112.6I35 A38 M39 F44 K45 Y46 L48 L107 W173I35-L42 HydrophobicContact CD1-CD1 4.28Å; A38-L42 HydrophobicContact CB-CD1 4.06Å; A38-L42 WeakPolarHBondContact O-CB 3.3Å; A38-L42 VanDerWaalsContact O-CG 3.24Å; A38-L42 WeakPolarHBondContact O-CG 3.5Å; A38-L42 PolarHBondContact O-N 2.81Å; M39-L42 PolarHBondContact O-N 3.35Å; L42-F44 VanDerWaalsContact C-N 3.29Å; L42-F44 PolarHBondContact O-N 2.86Å; L42-K45 PolarHBondContact O-N 3.43Å; L42-Y46 HydrophobicContact CD2-CD2 3.69Å; L42-Y46 HydrophobicContact CD2-CE2 3.64Å; L42-Y46 PolarHBondContact O-N 2.81Å; L42-L48 HydrophobicContact CB-CD1 3.98Å; L42-L107 HydrophobicContact CD1-CD2 3.81Å; L42-L107 HydrophobicContact CD2-CD2 4.08Å; L42-W173 HydrophobicContact CD2-CD2 3.81Å; L42-W173 HydrophobicContact CD2-CE3 3.91Å; L42-W173 HydrophobicContact CD2-CG 4.26Å; L42-W173 HydrophobicContact CD2-CH2 4.43Å; L42-W173 HydrophobicContact CD2-CZ2 4.34Å; L42-W173 HydrophobicContact CD2-CZ3 4.22Å
43R84Confident85.6Confident25 Ų2524 Ų249%0.09412%0.123CC..Hα-helixtrans-54.5-46.8176.1175.2175.8-178.8-166.5-0.8111.1M39 I41 N47 L48M39-R43 VanDerWaalsContact O-CB 3.22Å; M39-R43 WeakPolarHBondContact O-CB 3.35Å; M39-R43 PolarHBondContact O-N 2.92Å; I41-R43 VanDerWaalsContact C-N 3.32Å; I41-R43 PolarHBondContact O-N 3.38Å; R43-N47 WeakPolarHBondContact O-CA 3.48Å; R43-N47 PolarHBondContact O-N 3.47Å; R43-L48 PolarHBondContact O-N 3.26Å; R43-L48 VanDerWaalsContact O-N 3.11Å
44F78.5Confident85.5Confident23 Ų2328.8 Ų28.810%0.10114%0.144CC..Hα-helixtrans-79.1-43.3-178-56.8-47.6000112.2L40 I41 L42 Y46 T444 Y478L40-F44 WeakPolarHBondContact O-CD2 3.36Å; L40-F44 WeakPolarHBondContact O-CE2 3.47Å; I41-F44 PolarHBondContact O-N 2.65Å; L42-F44 VanDerWaalsContact C-N 3.29Å; L42-F44 PolarHBondContact O-N 2.86Å; F44-Y46 PolarHBondContact O-N 3.48Å; F44-T444 HydrophobicContact CD1-CG2 4.41Å; F44-T444 HydrophobicContact CD2-CG2 4.28Å; F44-T444 HydrophobicContact CG-CG2 4.19Å; F44-Y478 HydrophobicContact CD1-CD1 4.18Å; F44-Y478 AromaticContact CD1-CE1 3.33Å; F44-Y478 HydrophobicContact CD1-CE1 3.33Å; F44-Y478 AromaticContact CE1-CD1 3.64Å; F44-Y478 HydrophobicContact CE1-CD1 3.64Å; F44-Y478 AromaticContact CE1-CE1 3.08Å; F44-Y478 HydrophobicContact CE1-CE1 3.08Å; F44-Y478 AromaticContact CE1-CZ 3.88Å; F44-Y478 HydrophobicContact CG-CE1 4.44Å; F44-Y478 HydrophobicContact CZ-CD1 4.21Å; F44-Y478 HydrophobicContact CZ-CE1 4.07Å
45K79.9Confident85.3Confident30 Ų3032.5 Ų32.513%0.1316%0.163CC..Hα-helixtrans-61.4-44.4-178.7177.8168.7178.6151.40113.3I41 L42 N170I41-K45 WeakPolarHBondContact O-CB 3.41Å; I41-K45 PolarHBondContact O-N 3.03Å; L42-K45 PolarHBondContact O-N 3.43Å; K45-N170 PolarHBondContact NZ-ND2 2.89Å; K45-N170 PolarHBondContact NZ-OD1 3.41Å
46Y80.7Confident85.2Confident32 Ų3232.4 Ų32.413%0.12516%0.163CC..THydrogen-bonded Turntrans-102.74.3-174.6-74.3-59.6000114.3L42 F44 L48 A101 D102 K104 W173L42-Y46 HydrophobicContact CD2-CD2 3.69Å; L42-Y46 HydrophobicContact CD2-CE2 3.64Å; L42-Y46 PolarHBondContact O-N 2.81Å; F44-Y46 PolarHBondContact O-N 3.48Å; Y46-L48 VanDerWaalsContact C-N 3.31Å; Y46-L48 PolarHBondContact O-N 3.34Å; Y46-A101 PolarHBondContact OH-O 3.46Å; Y46-A101 VanDerWaalsContact OH-O 3.11Å; Y46-D102 WeakPolarHBondContact CE1-O 3.26Å; Y46-D102 WeakPolarHBondContact OH-CA 3.47Å; Y46-D102 PolarHBondContact OH-O 3.5Å; Y46-K104 HydrophobicContact CG-CB 4.46Å; Y46-W173 HydrophobicContact CE2-CZ2 4.27Å
47N75.6Confident85.1Confident61 Ų6132.5 Ų32.533%0.32616%0.163SC..THydrogen-bonded Turntrans48.359-173.9179.4-9.7000109.6R43 S49 R442R43-N47 WeakPolarHBondContact O-CA 3.48Å; R43-N47 PolarHBondContact O-N 3.47Å; N47-S49 PolarHBondContact O-N 3.39Å; N47-R442 PolarHBondContact ND2-NH2 3.36Å; N47-R442 PolarHBondContact OD1-NH1 2.92Å; N47-R442 PolarHBondContact OD1-NH2 2.71Å
48L78Confident85Confident0 Ų034.1 Ų34.10%017%0.173CC..  trans-79.3118-176.5-59.4176.4000109.4M39 L42 R43 Y46 L52 Q53 I56 K104M39-L48 HydrophobicContact SD-CD1 4.07Å; L42-L48 HydrophobicContact CB-CD1 3.98Å; R43-L48 PolarHBondContact O-N 3.26Å; R43-L48 VanDerWaalsContact O-N 3.11Å; Y46-L48 VanDerWaalsContact C-N 3.31Å; Y46-L48 PolarHBondContact O-N 3.34Å; L48-L52 HydrophobicContact CD2-CD2 3.52Å; L48-L52 HydrophobicContact CD2-CG 4.03Å; L48-Q53 HydrophobicContact CB-CG 3.63Å; L48-Q53 HydrophobicContact CD1-CG 4.23Å; L48-Q53 PolarHBondContact O-NE2 2.78Å; L48-I56 HydrophobicContact CD1-CD1 3.86Å; L48-I56 HydrophobicContact CD2-CD1 4.17Å; L48-K104 HydrophobicContact CD2-CB 3.97Å
49S81.7Confident85.1Confident44 Ų4435.3 Ų35.331%0.30818%0.18SC..  trans-61.4156166.669.70000110.8N47 Q51 L52 Q53N47-S49 PolarHBondContact O-N 3.39Å; S49-Q51 PolarHBondContact O-N 2.91Å; S49-Q51 PolarHBondContact OG-OE1 3.49Å; S49-L52 PolarHBondContact O-N 2.94Å; S49-L52 PolarHBondContact OG-N 3.03Å; S49-Q53 WeakPolarHBondContact O-CG 3.32Å; S49-Q53 PolarHBondContact O-N 3.03Å
50N81Confident85.1Confident64 Ų6435.2 Ų35.234%0.34218%0.18SC..Hα-helixtrans-55.4-41.4179.2-67.5-23.3000111.4L52 Q53 E54N50-L52 VanDerWaalsContact C-N 3.29Å; N50-L52 PolarHBondContact O-N 3.33Å; N50-Q53 PolarHBondContact O-N 3.03Å; N50-E54 WeakPolarHBondContact O-CG 3.42Å; N50-E54 PolarHBondContact O-N 3.36Å
51Q83.7Confident85.2Confident135 Ų13535.7 Ų35.763%0.63118%0.183SC*.Hα-helixtrans-61.9-36.6177.5-58.281.62.100112.2S49 L55S49-Q51 PolarHBondContact O-N 2.91Å; S49-Q51 PolarHBondContact OG-OE1 3.49Å; Q51-L55 VanDerWaalsContact O-CB 3.3Å; Q51-L55 WeakPolarHBondContact O-CB 3.41Å; Q51-L55 PolarHBondContact O-N 2.76Å
52L85.6Confident85.3Confident21 Ų2136.5 Ų36.511%0.1119%0.193CC..Hα-helixtrans-76.5-36.1179.5-173.357.8000112L48 S49 N50 E54 L55 I56 K104L48-L52 HydrophobicContact CD2-CD2 3.52Å; L48-L52 HydrophobicContact CD2-CG 4.03Å; S49-L52 PolarHBondContact O-N 2.94Å; S49-L52 PolarHBondContact OG-N 3.03Å; N50-L52 VanDerWaalsContact C-N 3.29Å; N50-L52 PolarHBondContact O-N 3.33Å; L52-E54 VanDerWaalsContact C-N 3.34Å; L52-L55 HydrophobicContact CD1-CB 4.45Å; L52-L55 HydrophobicContact CD1-CD2 4.12Å; L52-L55 PolarHBondContact O-N 3.45Å; L52-I56 HydrophobicContact CG-CD1 4.25Å; L52-I56 WeakPolarHBondContact O-CB 3.36Å; L52-I56 VanDerWaalsContact O-CG1 3.25Å; L52-I56 WeakPolarHBondContact O-CG1 3.44Å; L52-I56 PolarHBondContact O-N 2.77Å; L52-K104 HydrophobicContact CD2-CB 4.15Å; L52-K104 HydrophobicContact CD2-CD 3.58Å; L52-K104 HydrophobicContact CD2-CG 4.01Å
53Q85.4Confident85.5Confident13 Ų1336.9 Ų36.96%0.06120%0.196CC..Hα-helixtrans-61.1-45.5172.3-63.6177.741.500110.9M39 L48 S49 N50 L55 I56 V57M39-Q53 HydrophobicContact CE-CB 4.22Å; M39-Q53 HydrophobicContact SD-CB 3.96Å; M39-Q53 HydrophobicContact SD-CG 3.74Å; L48-Q53 HydrophobicContact CB-CG 3.63Å; L48-Q53 HydrophobicContact CD1-CG 4.23Å; L48-Q53 PolarHBondContact O-NE2 2.78Å; S49-Q53 WeakPolarHBondContact O-CG 3.32Å; S49-Q53 PolarHBondContact O-N 3.03Å; N50-Q53 PolarHBondContact O-N 3.03Å; Q53-L55 VanDerWaalsContact C-N 3.34Å; Q53-L55 PolarHBondContact O-N 3.43Å; Q53-I56 PolarHBondContact O-N 3.47Å; Q53-V57 PolarHBondContact O-N 3.1Å
54E88.6Confident85.8Confident114 Ų11435.9 Ų35.953%0.53319%0.192SC..Hα-helixtrans-61.6-40.1174-71172.7-165.700112.2N50 L52 V57 S58 Y284N50-E54 WeakPolarHBondContact O-CG 3.42Å; N50-E54 PolarHBondContact O-N 3.36Å; L52-E54 VanDerWaalsContact C-N 3.34Å; E54-V57 PolarHBondContact O-N 3.44Å; E54-S58 VanDerWaalsContact O-CB 3.23Å; E54-S58 WeakPolarHBondContact O-CB 3.47Å; E54-S58 PolarHBondContact O-N 3.27Å; E54-S58 PolarHBondContact O-OG 2.98Å; E54-Y284 WeakPolarHBondContact CA-OH 3.36Å
55L90.4Very high86.1Confident78 Ų7835 Ų3541%0.40819%0.19SC..Hα-helixtrans-64.6-42.9175.9-173.762.3000112.1Q51 L52 Q53 V57 S58 V59 L108Q51-L55 VanDerWaalsContact O-CB 3.3Å; Q51-L55 WeakPolarHBondContact O-CB 3.41Å; Q51-L55 PolarHBondContact O-N 2.76Å; L52-L55 HydrophobicContact CD1-CB 4.45Å; L52-L55 HydrophobicContact CD1-CD2 4.12Å; L52-L55 PolarHBondContact O-N 3.45Å; Q53-L55 VanDerWaalsContact C-N 3.34Å; Q53-L55 PolarHBondContact O-N 3.43Å; L55-V57 VanDerWaalsContact C-N 3.28Å; L55-V57 PolarHBondContact O-N 3.24Å; L55-S58 WeakPolarHBondContact CA-OG 3.25Å; L55-S58 PolarHBondContact O-N 2.95Å; L55-S58 PolarHBondContact O-OG 2.96Å; L55-V59 VanDerWaalsContact O-CB 3.26Å; L55-V59 WeakPolarHBondContact O-CB 3.24Å; L55-V59 WeakPolarHBondContact O-CG1 3.25Å; L55-V59 PolarHBondContact O-N 3.27Å; L55-L108 HydrophobicContact CD2-CD1 4.35Å; L55-L108 HydrophobicContact CD2-CD2 4.08Å; L55-L108 HydrophobicContact CG-CD1 3.98Å
56I89.1Confident86.6Confident0 Ų038.1 Ų38.10%021%0.211CC..Hα-helixtrans-59.2-39.7178.2-75.9165.4000111.5I35 M39 L48 L52 Q53 L107 L108 R111I35-I56 HydrophobicContact CD1-CG2 4.08Å; I35-I56 HydrophobicContact CG1-CG2 4.47Å; M39-I56 HydrophobicContact CE-CB 4.43Å; M39-I56 HydrophobicContact CE-CG2 4.02Å; L48-I56 HydrophobicContact CD1-CD1 3.86Å; L48-I56 HydrophobicContact CD2-CD1 4.17Å; L52-I56 HydrophobicContact CG-CD1 4.25Å; L52-I56 WeakPolarHBondContact O-CB 3.36Å; L52-I56 VanDerWaalsContact O-CG1 3.25Å; L52-I56 WeakPolarHBondContact O-CG1 3.44Å; L52-I56 PolarHBondContact O-N 2.77Å; Q53-I56 PolarHBondContact O-N 3.47Å; I56-L107 HydrophobicContact CD1-CD2 4.1Å; I56-L108 HydrophobicContact CG1-CD1 4.09Å; I56-R111 HydrophobicContact CG2-CG 4.12Å
57V88.3Confident87.1Confident11 Ų1137 Ų377%0.06721%0.208CC..Hα-helixtrans-76.6-50.6177.7178.60000110.6I35 M39 Q53 E54 L55 V59 T60 L61 F283 Y284I35-V57 HydrophobicContact CG1-CG2 4.17Å; M39-V57 HydrophobicContact CE-CG2 3.97Å; Q53-V57 PolarHBondContact O-N 3.1Å; E54-V57 PolarHBondContact O-N 3.44Å; L55-V57 VanDerWaalsContact C-N 3.28Å; L55-V57 PolarHBondContact O-N 3.24Å; V57-V59 PolarHBondContact O-N 3.24Å; V57-T60 PolarHBondContact O-N 2.98Å; V57-L61 HydrophobicContact CG1-CD1 4.32Å; V57-L61 WeakPolarHBondContact O-CD1 3.26Å; V57-F283 HydrophobicContact CG1-CB 4Å; V57-F283 HydrophobicContact CG1-CD2 3.48Å; V57-F283 VanDerWaalsContact CG1-CD2 3.48Å; V57-F283 HydrophobicContact CG1-CE2 4.22Å; V57-F283 HydrophobicContact CG1-CG 3.89Å; V57-Y284 HydrophobicContact CG2-CE1 4.29Å
58S89.6Confident87.7Confident37 Ų3734.1 Ų34.126%0.25919%0.193SC..Hα-helixtrans-68.5-32.8-17359.70000114.1E54 L55 T60 L61 A62E54-S58 VanDerWaalsContact O-CB 3.23Å; E54-S58 WeakPolarHBondContact O-CB 3.47Å; E54-S58 PolarHBondContact O-N 3.27Å; E54-S58 PolarHBondContact O-OG 2.98Å; L55-S58 WeakPolarHBondContact CA-OG 3.25Å; L55-S58 PolarHBondContact O-N 2.95Å; L55-S58 PolarHBondContact O-OG 2.96Å; S58-T60 VanDerWaalsContact C-N 3.26Å; S58-T60 PolarHBondContact O-N 3.36Å; S58-L61 PolarHBondContact O-N 3.28Å; S58-L61 VanDerWaalsContact O-N 3.08Å; S58-A62 PolarHBondContact O-N 2.82Å
59V93Very high88Confident25 Ų2539.6 Ų39.615%0.15222%0.221CC..Hα-helixtrans-61.1-36.4179.577.10000111.9L55 V57 L61 A62 A63 L108 R111 L112L55-V59 VanDerWaalsContact O-CB 3.26Å; L55-V59 WeakPolarHBondContact O-CB 3.24Å; L55-V59 WeakPolarHBondContact O-CG1 3.25Å; L55-V59 PolarHBondContact O-N 3.27Å; V57-V59 PolarHBondContact O-N 3.24Å; V59-L61 VanDerWaalsContact C-N 3.32Å; V59-L61 PolarHBondContact O-N 3.25Å; V59-A62 PolarHBondContact O-N 3.24Å; V59-A63 WeakPolarHBondContact O-CB 3.38Å; V59-A63 PolarHBondContact O-N 2.89Å; V59-L108 HydrophobicContact CB-CD1 4.21Å; V59-L108 HydrophobicContact CG1-CD1 3.64Å; V59-L108 HydrophobicContact CG1-CG 4.49Å; V59-R111 HydrophobicContact CG1-CB 3.83Å; V59-L112 HydrophobicContact CG2-CB 4.47Å; V59-L112 HydrophobicContact CG2-CD1 3.7Å
60T91Very high88.3Confident2 Ų241 Ų411%0.01223%0.227CC..Hα-helixtrans-64-40.2177-64.40000110.7M32 V57 S58 A64 R111 G115 I118M32-T60 HydrophobicContact SD-CG2 4.3Å; V57-T60 PolarHBondContact O-N 2.98Å; S58-T60 VanDerWaalsContact C-N 3.26Å; S58-T60 PolarHBondContact O-N 3.36Å; T60-A64 WeakPolarHBondContact O-CB 3.45Å; T60-A64 PolarHBondContact O-N 3.49Å; T60-R111 WeakPolarHBondContact OG1-CB 3.17Å; T60-R111 VanDerWaalsContact OG1-CD 3.29Å; T60-R111 WeakPolarHBondContact OG1-CD 3.45Å; T60-R111 PolarHBondContact OG1-O 3.13Å; T60-G115 VanDerWaalsContact O-CA 3.27Å; T60-G115 WeakPolarHBondContact O-CA 3.42Å; T60-I118 HydrophobicContact CG2-CD1 3.61Å
61L89.3Confident88.7Confident15 Ų1538.2 Ų38.28%0.07921%0.213CC..Hα-helixtrans-71.3-41.2177.6-72.887.3000111.7V57 S58 V59 A63 A64 A65 F283 Y529V57-L61 HydrophobicContact CG1-CD1 4.32Å; V57-L61 WeakPolarHBondContact O-CD1 3.26Å; S58-L61 PolarHBondContact O-N 3.28Å; S58-L61 VanDerWaalsContact O-N 3.08Å; V59-L61 VanDerWaalsContact C-N 3.32Å; V59-L61 PolarHBondContact O-N 3.25Å; L61-A63 PolarHBondContact O-N 3.33Å; L61-A64 PolarHBondContact O-N 2.65Å; L61-A65 WeakPolarHBondContact O-CB 3.09Å; L61-A65 PolarHBondContact O-N 3.33Å; L61-F283 HydrophobicContact CD1-CE2 3.85Å; L61-F283 HydrophobicContact CD1-CZ 4.28Å; L61-F283 HydrophobicContact CD2-CE2 4Å; L61-F283 HydrophobicContact CD2-CZ 4.43Å; L61-Y529 HydrophobicContact CB-CD2 3.87Å; L61-Y529 HydrophobicContact CD2-CD2 3.91Å; L61-Y529 HydrophobicContact CD2-CE2 3.87Å; L61-Y529 HydrophobicContact CG-CD2 4.48Å
62A89.3Confident88.8Confident37 Ų3732.1 Ų32.131%0.30619%0.186SC..Hα-helixtrans-60.8-44.2175.400000111.6S58 V59 A65 V66S58-A62 PolarHBondContact O-N 2.82Å; V59-A62 PolarHBondContact O-N 3.24Å; A62-A65 WeakPolarHBondContact O-CB 3.13Å; A62-A65 PolarHBondContact O-N 3.22Å; A62-V66 WeakPolarHBondContact O-CG2 3.31Å; A62-V66 PolarHBondContact O-N 3.01Å
63A93.2Very high88.9Confident8 Ų837 Ų377%0.06620%0.203CC..Hα-helixtrans-65.6-37.5174.400000112.9V59 L61 A65 V66 S67 L112 I116V59-A63 WeakPolarHBondContact O-CB 3.38Å; V59-A63 PolarHBondContact O-N 2.89Å; L61-A63 PolarHBondContact O-N 3.33Å; A63-A65 VanDerWaalsContact C-N 3.33Å; A63-V66 PolarHBondContact O-N 3.46Å; A63-S67 VanDerWaalsContact O-CB 3.26Å; A63-S67 WeakPolarHBondContact O-CB 3.32Å; A63-S67 PolarHBondContact O-N 3.32Å; A63-S67 PolarHBondContact O-OG 3.22Å; A63-L112 HydrophobicContact CB-CD1 3.83Å; A63-L112 HydrophobicContact CB-CG 4.48Å; A63-L112 WeakPolarHBondContact CB-O 3.05Å; A63-I116 HydrophobicContact CB-CG1 4.25Å
64A90Very high89.1Confident3 Ų340.3 Ų40.33%0.02522%0.217CC..Hα-helixtrans-63.2-40173.800000111.9T60 L61 S67 A68 G115 I118 G119 F526T60-A64 WeakPolarHBondContact O-CB 3.45Å; T60-A64 PolarHBondContact O-N 3.49Å; L61-A64 PolarHBondContact O-N 2.65Å; A64-S67 WeakPolarHBondContact CA-OG 3.44Å; A64-S67 PolarHBondContact O-OG 3.04Å; A64-S67 VanDerWaalsContact O-OG 3.05Å; A64-A68 VanDerWaalsContact O-CB 3.22Å; A64-A68 WeakPolarHBondContact O-CB 3.31Å; A64-A68 PolarHBondContact O-N 3.21Å; A64-G115 WeakPolarHBondContact CA-O 3.24Å; A64-G115 WeakPolarHBondContact CB-O 3.09Å; A64-G115 PolarHBondContact N-O 3.33Å; A64-I118 HydrophobicContact CB-CB 4.46Å; A64-I118 HydrophobicContact CB-CG2 4.2Å; A64-G119 WeakPolarHBondContact O-CA 3.37Å; A64-F526 HydrophobicContact CB-CD1 4.41Å
65A85.7Confident89.2Confident6 Ų635.1 Ų35.15%0.0519%0.194CC..Hα-helixtrans-62.9-49.7176.200000112.1L61 A62 A63 L69 F526 L527L61-A65 WeakPolarHBondContact O-CB 3.09Å; L61-A65 PolarHBondContact O-N 3.33Å; A62-A65 WeakPolarHBondContact O-CB 3.13Å; A62-A65 PolarHBondContact O-N 3.22Å; A63-A65 VanDerWaalsContact C-N 3.33Å; A65-L69 PolarHBondContact O-N 2.92Å; A65-F526 VanDerWaalsContact CA-O 3.22Å; A65-F526 WeakPolarHBondContact CA-O 3.29Å; A65-F526 WeakPolarHBondContact CB-O 3Å; A65-F526 PolarHBondContact N-O 3.07Å; A65-L527 HydrophobicContact CB-CD2 3.9Å; A65-L527 HydrophobicContact CB-CG 4.42Å
66V89.2Confident89.1Confident95 Ų9537.5 Ų37.558%0.57620%0.203SC*.Hα-helixtrans-65.1-45.5179.3175.10000111.1A62 A63 A68 L69 V70A62-V66 WeakPolarHBondContact O-CG2 3.31Å; A62-V66 PolarHBondContact O-N 3.01Å; A63-V66 PolarHBondContact O-N 3.46Å; V66-A68 PolarHBondContact O-N 3.12Å; V66-L69 PolarHBondContact O-N 3.4Å; V66-V70 WeakPolarHBondContact O-CG2 3.41Å; V66-V70 PolarHBondContact O-N 2.98Å
67S91.7Very high89.2Confident9 Ų945.8 Ų45.86%0.06323%0.234CC..Hα-helixtrans-64.7-40.3179.357.70000112.4A63 A64 L69 V70 T71 I116 G119A63-S67 VanDerWaalsContact O-CB 3.26Å; A63-S67 WeakPolarHBondContact O-CB 3.32Å; A63-S67 PolarHBondContact O-N 3.32Å; A63-S67 PolarHBondContact O-OG 3.22Å; A64-S67 WeakPolarHBondContact CA-OG 3.44Å; A64-S67 PolarHBondContact O-OG 3.04Å; A64-S67 VanDerWaalsContact O-OG 3.05Å; S67-L69 PolarHBondContact O-N 3.12Å; S67-V70 PolarHBondContact O-N 3.2Å; S67-T71 WeakPolarHBondContact O-CB 3.37Å; S67-T71 PolarHBondContact O-N 3.36Å; S67-T71 PolarHBondContact O-OG1 3.39Å; S67-I116 WeakPolarHBondContact CB-O 3.05Å; S67-I116 PolarHBondContact OG-O 3.1Å; S67-G119 WeakPolarHBondContact OG-CA 3.49Å
68A87.2Confident89.3Confident0 Ų049.5 Ų49.50%025%0.249CC..Hα-helixtrans-59.4-33.3178.100000113.3A64 V66 K523 F526A64-A68 VanDerWaalsContact O-CB 3.22Å; A64-A68 WeakPolarHBondContact O-CB 3.31Å; A64-A68 PolarHBondContact O-N 3.21Å; V66-A68 PolarHBondContact O-N 3.12Å; A68-K523 WeakPolarHBondContact CB-O 3.4Å; A68-F526 HydrophobicContact CB-CB 4.27Å
69L85.4Confident89.3Confident114 Ų11447.8 Ų47.860%0.59724%0.237SC*.Hα-helixtrans-68.2-46.2173.4-71171.8000111.7A65 V66 S67 L527A65-L69 PolarHBondContact O-N 2.92Å; V66-L69 PolarHBondContact O-N 3.4Å; S67-L69 PolarHBondContact O-N 3.12Å; L69-L527 HydrophobicContact CD1-CD2 3.85Å; L69-L527 HydrophobicContact CD2-CD1 3.65Å; L69-L527 HydrophobicContact CD2-CD2 4.38Å; L69-L527 HydrophobicContact CG-CD1 3.98Å; L69-L527 HydrophobicContact CG-CD2 3.97Å; L69-L527 HydrophobicContact CG-CG 4.44Å
70V88.3Confident89.3Confident73 Ų7348 Ų4844%0.44224%0.235SC..Hα-helixtrans-71.9-39.4-175.7172.80000111.6V66 S67 G72 W73 F74V66-V70 WeakPolarHBondContact O-CG2 3.41Å; V66-V70 PolarHBondContact O-N 2.98Å; S67-V70 PolarHBondContact O-N 3.2Å; V70-G72 PolarHBondContact O-N 3Å; V70-G72 VanDerWaalsContact O-N 3.08Å; V70-W73 PolarHBondContact O-N 3.15Å; V70-F74 HydrophobicContact CG1-CD2 3.82Å; V70-F74 HydrophobicContact CG1-CE2 3.47Å; V70-F74 VanDerWaalsContact CG1-CE2 3.47Å
71T89.2Confident89.4Confident7 Ų750.5 Ų50.54%0.04325%0.246CC..Hα-helixtrans-59.6-23.9-179.6-63.70000112.8S67 W73 F74 N75 V83 S120 T124S67-T71 WeakPolarHBondContact O-CB 3.37Å; S67-T71 PolarHBondContact O-N 3.36Å; S67-T71 PolarHBondContact O-OG1 3.39Å; T71-W73 VanDerWaalsContact C-N 3.3Å; T71-W73 PolarHBondContact O-N 3.01Å; T71-F74 PolarHBondContact O-N 3.37Å; T71-N75 WeakPolarHBondContact O-CB 3.41Å; T71-N75 PolarHBondContact O-N 3.01Å; T71-N75 PolarHBondContact O-ND2 3.41Å; T71-V83 HydrophobicContact CG2-CG1 3.68Å; T71-S120 VanDerWaalsContact CG2-OG 3.25Å; T71-S120 WeakPolarHBondContact CG2-OG 3.14Å; T71-S120 WeakPolarHBondContact OG1-CA 3.46Å; T71-S120 VanDerWaalsContact OG1-CB 3.26Å; T71-S120 WeakPolarHBondContact OG1-CB 3.33Å; T71-S120 PolarHBondContact OG1-OG 3.19Å; T71-T124 WeakPolarHBondContact CG2-OG1 3.42Å
72G85.9Confident89.6Confident6 Ų655.5 Ų55.56%0.06227%0.267CS..Hα-helixtrans-54.8-44.1172.200000113.5V70 E76V70-G72 PolarHBondContact O-N 3Å; V70-G72 VanDerWaalsContact O-N 3.08Å; G72-E76 PolarHBondContact O-N 2.71Å
73W87.3Confident89.9Confident125 Ų12554.2 Ų54.247%0.47326%0.255SS..Hα-helixtrans-70.3-40.3177.9176.576.9000112V70 T71 N75 E76 R77 F78V70-W73 PolarHBondContact O-N 3.15Å; T71-W73 VanDerWaalsContact C-N 3.3Å; T71-W73 PolarHBondContact O-N 3.01Å; W73-N75 VanDerWaalsContact C-N 3.32Å; W73-N75 PolarHBondContact O-N 2.99Å; W73-E76 PolarHBondContact O-N 3.09Å; W73-R77 PolarHBondContact O-N 2.91Å; W73-F78 HydrophobicContact CZ3-CE2 4.42Å
74F90.3Very high89.9Confident81 Ų8153.8 Ų53.836%0.35525%0.252SS..Hα-helixtrans-62.1-39176.5-77-81.7000112.3V70 T71 E76 R77 F78 V83V70-F74 HydrophobicContact CG1-CD2 3.82Å; V70-F74 HydrophobicContact CG1-CE2 3.47Å; V70-F74 VanDerWaalsContact CG1-CE2 3.47Å; T71-F74 PolarHBondContact O-N 3.37Å; F74-E76 VanDerWaalsContact C-N 3.34Å; F74-E76 PolarHBondContact O-N 3.43Å; F74-R77 PolarHBondContact O-N 3.08Å; F74-F78 HydrophobicContact CB-CD2 4.43Å; F74-F78 AromaticContact CD1-CD2 3.64Å; F74-F78 HydrophobicContact CD1-CD2 3.64Å; F74-F78 AromaticContact CD1-CE2 3.51Å; F74-F78 HydrophobicContact CD1-CE2 3.51Å; F74-F78 HydrophobicContact CE1-CD2 4.42Å; F74-F78 AromaticContact CE1-CE2 3.86Å; F74-F78 HydrophobicContact CE1-CE2 3.86Å; F74-F78 PolarHBondContact O-N 3.04Å; F74-V83 HydrophobicContact CB-CG2 3.9Å
75N90.3Very high90.2Very high6 Ų656 Ų563%0.03226%0.263CS..Hα-helixtrans-63.4-37.6177.1-80.7-29.5000113.2T71 W73 G79 V83 T124 W200T71-N75 WeakPolarHBondContact O-CB 3.41Å; T71-N75 PolarHBondContact O-N 3.01Å; T71-N75 PolarHBondContact O-ND2 3.41Å; W73-N75 VanDerWaalsContact C-N 3.32Å; W73-N75 PolarHBondContact O-N 2.99Å; N75-G79 WeakPolarHBondContact O-CA 3.39Å; N75-G79 PolarHBondContact O-N 3.03Å; N75-V83 WeakPolarHBondContact OD1-CB 3.27Å; N75-V83 WeakPolarHBondContact OD1-CG1 3.41Å; N75-T124 PolarHBondContact ND2-OG1 3.29Å; N75-T124 WeakPolarHBondContact OD1-CG2 3.23Å; N75-T124 PolarHBondContact OD1-OG1 3.24Å; N75-W200 PolarHBondContact O-NE1 3.39Å
76E88.1Confident90.7Very high128 Ų12857.8 Ų57.860%0.59828%0.278SS*.Hα-helixtrans-71.5-42176.1-70.8171.2-169.300111G72 W73 F74 W200G72-E76 PolarHBondContact O-N 2.71Å; W73-E76 PolarHBondContact O-N 3.09Å; F74-E76 VanDerWaalsContact C-N 3.34Å; F74-E76 PolarHBondContact O-N 3.43Å; E76-W200 PolarHBondContact O-NE1 3.26Å
77R90Very high91Very high174 Ų17453.4 Ų53.466%0.65725%0.251SS*.Hα-helixtrans-77.7-44.9-175-175.657.5178.5174.90.9114.4W73 F74W73-R77 PolarHBondContact O-N 2.91Å; F74-R77 PolarHBondContact O-N 3.08Å
78F91.4Very high91.2Very high89 Ų8953 Ų5339%0.3925%0.248SC..Hα-helixtrans-105.3-14.5-170.1-64.4-76.9000114.2W73 F74 K82 V83 W200W73-F78 HydrophobicContact CZ3-CE2 4.42Å; F74-F78 HydrophobicContact CB-CD2 4.43Å; F74-F78 AromaticContact CD1-CD2 3.64Å; F74-F78 HydrophobicContact CD1-CD2 3.64Å; F74-F78 AromaticContact CD1-CE2 3.51Å; F74-F78 HydrophobicContact CD1-CE2 3.51Å; F74-F78 HydrophobicContact CE1-CD2 4.42Å; F74-F78 AromaticContact CE1-CE2 3.86Å; F74-F78 HydrophobicContact CE1-CE2 3.86Å; F74-F78 PolarHBondContact O-N 3.04Å; F78-K82 HydrophobicContact CB-CB 4.43Å; F78-K82 WeakPolarHBondContact O-CD 3.21Å; F78-V83 HydrophobicContact CB-CG2 4.43Å; F78-W200 VanDerWaalsContact C-CZ2 3.4Å
79G89.9Confident91.6Very high0 Ų057.2 Ų57.20%027%0.271CS..  trans92.1165.2-171.400000112N75 V83 E196 W200N75-G79 WeakPolarHBondContact O-CA 3.39Å; N75-G79 PolarHBondContact O-N 3.03Å; G79-V83 WeakPolarHBondContact O-CG2 3.48Å; G79-E196 WeakPolarHBondContact CA-OE2 2.89Å; G79-W200 VanDerWaalsContact N-CE2 3.26Å; G79-W200 VanDerWaalsContact N-CZ2 3.29Å
80R92.2Very high92.1Very high30 Ų3054.6 Ų54.611%0.11326%0.257CS..Hα-helixtrans-77.5-41.1-173.8-72.570.3176-156.33.2110.5K82 V83 I84 T124 Y128 E131 E196R80-K82 PolarHBondContact O-N 2.93Å; R80-V83 PolarHBondContact O-N 3.31Å; R80-I84 VanDerWaalsContact O-CG1 3.28Å; R80-I84 WeakPolarHBondContact O-CG1 3.14Å; R80-I84 PolarHBondContact O-N 3.47Å; R80-T124 HydrophobicContact CB-CG2 4.2Å; R80-T124 HydrophobicContact CG-CG2 4.34Å; R80-Y128 HydrophobicContact CB-CD2 3.77Å; R80-E131 IonicContact CZ-OE1 3.59Å; R80-E131 VanDerWaalsContact CZ-OE1 3.28Å; R80-E131 IonicContact CZ-OE2 3.13Å; R80-E131 IonicContact NE-OE1 3.03Å; R80-E131 IonicContact NE-OE2 3.64Å; R80-E131 PolarHBondContact NE-OE2 3.1Å; R80-E131 IonicContact NH1-OE1 3.32Å; R80-E131 IonicContact NH1-OE2 3.22Å; R80-E131 PolarHBondContact NH1-OE2 3.38Å; R80-E131 IonicContact NH2-OE1 2.6Å; R80-E131 PolarHBondContact NH2-OE1 3.39Å; R80-E131 IonicContact NH2-OE2 2.65Å; R80-E131 PolarHBondContact NH2-OE2 3.03Å; R80-E196 WeakPolarHBondContact CA-OE1 3.39Å; R80-E196 WeakPolarHBondContact CB-OE1 3.24Å; R80-E196 PolarHBondContact N-OE1 3.2Å; R80-E196 PolarHBondContact N-OE2 2.64Å
81K93.7Very high92.5Very high54 Ų5451.2 Ų51.224%0.23524%0.236CC..Hα-helixtrans-58.1-51.4-179.6179.4-171.9-178.3161.10111.2V83 I84 I85 P192 L194 E196K81-V83 VanDerWaalsContact C-N 3.31Å; K81-V83 PolarHBondContact O-N 3.02Å; K81-I84 PolarHBondContact O-N 3.49Å; K81-I85 HydrophobicContact CG-CD1 4.01Å; K81-I85 WeakPolarHBondContact O-CG1 3.17Å; K81-I85 PolarHBondContact O-N 2.83Å; K81-P192 PolarHBondContact NZ-O 2.9Å; K81-L194 WeakPolarHBondContact CD-O 3.39Å; K81-L194 WeakPolarHBondContact CE-O 3.03Å; K81-L194 HydrophobicContact CG-CB 4.49Å; K81-L194 PolarHBondContact NZ-O 2.94Å; K81-E196 VanDerWaalsContact CB-OE2 3.25Å; K81-E196 WeakPolarHBondContact CB-OE2 3.46Å; K81-E196 PolarHBondContact N-OE1 2.9Å; K81-E196 VanDerWaalsContact N-OE1 3.08Å; K81-E196 PolarHBondContact N-OE2 3.42Å; K81-E196 VanDerWaalsContact N-OE2 3.1Å
82K94.2Very high92.8Very high120 Ų12052.8 Ų52.852%0.52224%0.244SC..Hα-helixtrans-63.3-38.1-177.4-63.9-171.7-171.7173.70112F78 R80 I85 A86F78-K82 HydrophobicContact CB-CB 4.43Å; F78-K82 WeakPolarHBondContact O-CD 3.21Å; R80-K82 PolarHBondContact O-N 2.93Å; K82-I85 PolarHBondContact O-N 3.42Å; K82-A86 WeakPolarHBondContact O-CB 3.48Å; K82-A86 PolarHBondContact O-N 3.23Å
83V94.8Very high93.4Very high10 Ų1056.2 Ų56.26%0.06126%0.264CS..Hα-helixtrans-67.1-40.3177172.90000111.6T71 F74 N75 F78 G79 R80 K81 A86 S87 T124T71-V83 HydrophobicContact CG2-CG1 3.68Å; F74-V83 HydrophobicContact CB-CG2 3.9Å; N75-V83 WeakPolarHBondContact OD1-CB 3.27Å; N75-V83 WeakPolarHBondContact OD1-CG1 3.41Å; F78-V83 HydrophobicContact CB-CG2 4.43Å; G79-V83 WeakPolarHBondContact O-CG2 3.48Å; R80-V83 PolarHBondContact O-N 3.31Å; K81-V83 VanDerWaalsContact C-N 3.31Å; K81-V83 PolarHBondContact O-N 3.02Å; V83-A86 PolarHBondContact O-N 3.04Å; V83-S87 WeakPolarHBondContact O-CB 3.3Å; V83-S87 PolarHBondContact O-N 3.01Å; V83-S87 PolarHBondContact O-OG 3.47Å; V83-T124 HydrophobicContact CB-CG2 4.37Å; V83-T124 HydrophobicContact CG1-CG2 4.13Å
84I94.1Very high93.8Very high0 Ų050.3 Ų50.30%024%0.241CC..Hα-helixtrans-64.4-42.4175.9-63.6164.5000111R80 K81 S87 S88 T124 V125 Y128 L191 L194R80-I84 VanDerWaalsContact O-CG1 3.28Å; R80-I84 WeakPolarHBondContact O-CG1 3.14Å; R80-I84 PolarHBondContact O-N 3.47Å; K81-I84 PolarHBondContact O-N 3.49Å; I84-S87 PolarHBondContact O-N 3.32Å; I84-S88 WeakPolarHBondContact O-CB 3.39Å; I84-S88 PolarHBondContact O-N 3.31Å; I84-S88 PolarHBondContact O-OG 2.75Å; I84-T124 HydrophobicContact CD1-CG2 4.11Å; I84-T124 HydrophobicContact CG1-CG2 3.64Å; I84-V125 HydrophobicContact CD1-CG2 4.05Å; I84-V125 HydrophobicContact CG1-CG2 4.06Å; I84-V125 HydrophobicContact CG2-CG2 4.43Å; I84-Y128 HydrophobicContact CD1-CG 4.32Å; I84-L191 HydrophobicContact CB-CD2 4.49Å; I84-L191 HydrophobicContact CG2-CD1 3.92Å; I84-L191 HydrophobicContact CG2-CD2 3.48Å; I84-L191 VanDerWaalsContact CG2-CD2 3.48Å; I84-L191 HydrophobicContact CG2-CG 4.37Å; I84-L194 HydrophobicContact CD1-CD2 4.25Å
85I95.5Very high94.1Very high48 Ų4846.6 Ų46.625%0.24623%0.225CC..Hα-helixtrans-61.8-49.9175.6-67.1168.8000110.7K81 K82 S87 S88 L89 L191K81-I85 HydrophobicContact CG-CD1 4.01Å; K81-I85 WeakPolarHBondContact O-CG1 3.17Å; K81-I85 PolarHBondContact O-N 2.83Å; K82-I85 PolarHBondContact O-N 3.42Å; I85-S87 VanDerWaalsContact C-N 3.32Å; I85-S87 PolarHBondContact O-N 3.11Å; I85-S88 PolarHBondContact O-N 3.44Å; I85-S88 VanDerWaalsContact O-N 3.14Å; I85-L89 HydrophobicContact CG2-CD1 4.44Å; I85-L89 WeakPolarHBondContact O-CG 3.39Å; I85-L89 PolarHBondContact O-N 3.41Å; I85-L191 HydrophobicContact CD1-CB 4.39Å; I85-L191 HydrophobicContact CG1-CB 3.73Å; I85-L191 HydrophobicContact CG1-CD1 4.1Å; I85-L191 HydrophobicContact CG1-CG 4.48Å
86A96Very high94.3Very high45 Ų4549.7 Ų49.737%0.37225%0.247SC..Hα-helixtrans-59.5-42.717800000111.9K82 V83 S88 L89 I90K82-A86 WeakPolarHBondContact O-CB 3.48Å; K82-A86 PolarHBondContact O-N 3.23Å; V83-A86 PolarHBondContact O-N 3.04Å; A86-S88 VanDerWaalsContact C-N 3.3Å; A86-S88 PolarHBondContact O-N 3.34Å; A86-L89 PolarHBondContact O-N 3.07Å; A86-I90 VanDerWaalsContact O-CG1 3.3Å; A86-I90 WeakPolarHBondContact O-CG1 3.25Å; A86-I90 PolarHBondContact O-N 3.28Å
87S95Very high94.7Very high2 Ų246.2 Ų46.21%0.01423%0.231CC..Hα-helixtrans-64.2-36.1177.6-52.10000111.9V83 I84 I85 I90 F91 S120 T121V83-S87 WeakPolarHBondContact O-CB 3.3Å; V83-S87 PolarHBondContact O-N 3.01Å; V83-S87 PolarHBondContact O-OG 3.47Å; I84-S87 PolarHBondContact O-N 3.32Å; I85-S87 VanDerWaalsContact C-N 3.32Å; I85-S87 PolarHBondContact O-N 3.11Å; S87-I90 PolarHBondContact O-N 3.33Å; S87-F91 PolarHBondContact O-N 3Å; S87-S120 VanDerWaalsContact OG-CB 3.24Å; S87-S120 WeakPolarHBondContact OG-CB 3.34Å; S87-S120 PolarHBondContact OG-OG 3Å; S87-T121 WeakPolarHBondContact CB-OG1 3.31Å
88S95.5Very high94.9Very high0 Ų037.9 Ų37.90%020%0.2CC..Hα-helixtrans-69.5-36176.5-55.80000111.9I84 I85 A86 F91 L92 V184 Q187 L191I84-S88 WeakPolarHBondContact O-CB 3.39Å; I84-S88 PolarHBondContact O-N 3.31Å; I84-S88 PolarHBondContact O-OG 2.75Å; I85-S88 PolarHBondContact O-N 3.44Å; I85-S88 VanDerWaalsContact O-N 3.14Å; A86-S88 VanDerWaalsContact C-N 3.3Å; A86-S88 PolarHBondContact O-N 3.34Å; S88-F91 VanDerWaalsContact O-CB 3.31Å; S88-F91 WeakPolarHBondContact O-CB 3.46Å; S88-F91 PolarHBondContact O-N 3.45Å; S88-L92 PolarHBondContact O-N 2.99Å; S88-V184 WeakPolarHBondContact O-CG1 3.39Å; S88-Q187 PolarHBondContact OG-NE2 3.1Å; S88-L191 VanDerWaalsContact OG-CD1 3.3Å; S88-L191 WeakPolarHBondContact OG-CD1 2.98Å
89L96.5Very high95Very high90 Ų9034.8 Ų34.847%0.47119%0.191SC..Hα-helixtrans-64.4-42.1170.9-67172000111.7I85 A86 F91 L92 V93 L188I85-L89 HydrophobicContact CG2-CD1 4.44Å; I85-L89 WeakPolarHBondContact O-CG 3.39Å; I85-L89 PolarHBondContact O-N 3.41Å; A86-L89 PolarHBondContact O-N 3.07Å; L89-F91 VanDerWaalsContact C-N 3.31Å; L89-F91 PolarHBondContact O-N 3.27Å; L89-L92 PolarHBondContact O-N 3.24Å; L89-V93 WeakPolarHBondContact O-CG2 3.47Å; L89-V93 PolarHBondContact O-N 2.8Å; L89-L188 HydrophobicContact CD2-CD1 3.95Å; L89-L188 HydrophobicContact CD2-CD2 3.93Å; L89-L188 HydrophobicContact CG-CD2 4.07Å
90I96.7Very high95.1Very high59 Ų5937.9 Ų37.930%0.30322%0.216SC..Hα-helixtrans-63.3-39.6175.2-62.4166.9000110.6A86 S87 L92 V93 G94 V113 I116 A117A86-I90 VanDerWaalsContact O-CG1 3.3Å; A86-I90 WeakPolarHBondContact O-CG1 3.25Å; A86-I90 PolarHBondContact O-N 3.28Å; S87-I90 PolarHBondContact O-N 3.33Å; I90-L92 VanDerWaalsContact C-N 3.33Å; I90-L92 PolarHBondContact O-N 2.75Å; I90-V93 PolarHBondContact O-N 3.38Å; I90-G94 PolarHBondContact O-N 3.34Å; I90-V113 HydrophobicContact CG2-CG1 3.66Å; I90-V113 WeakPolarHBondContact CG2-O 2.96Å; I90-I116 HydrophobicContact CD1-CG2 4.48Å; I90-I116 HydrophobicContact CG2-CG2 4.43Å; I90-A117 HydrophobicContact CB-CB 4.14Å; I90-A117 HydrophobicContact CG2-CB 3.9Å
91F95.2Very high95.1Very high1 Ų136.5 Ų36.50%0.00421%0.211CC..Hα-helixtrans-56.4-46.2172.7-108.8-67.6000111.9I28 H31 S87 S88 L89 T95 L114 A117 I118 V184I28-F91 HydrophobicContact CG1-CE2 4.17Å; I28-F91 HydrophobicContact CG1-CZ 3.89Å; H31-F91 HydrophobicContact CB-CE1 4.24Å; H31-F91 AromaticContact CD2-CD1 3.79Å; H31-F91 AromaticContact CD2-CE1 3.71Å; S87-F91 PolarHBondContact O-N 3Å; S88-F91 VanDerWaalsContact O-CB 3.31Å; S88-F91 WeakPolarHBondContact O-CB 3.46Å; S88-F91 PolarHBondContact O-N 3.45Å; L89-F91 VanDerWaalsContact C-N 3.31Å; L89-F91 PolarHBondContact O-N 3.27Å; F91-T95 WeakPolarHBondContact O-CB 3.44Å; F91-T95 PolarHBondContact O-N 2.68Å; F91-T95 PolarHBondContact O-OG1 3.08Å; F91-L114 HydrophobicContact CD1-CD1 3.45Å; F91-L114 VanDerWaalsContact CD1-CD1 3.45Å; F91-L114 HydrophobicContact CD1-CG 4.45Å; F91-L114 HydrophobicContact CE1-CD1 3.66Å; F91-L114 HydrophobicContact CE1-CG 4.26Å; F91-A117 HydrophobicContact CB-CB 3.95Å; F91-A117 HydrophobicContact CD1-CB 4.08Å; F91-A117 HydrophobicContact CD2-CB 3.27Å; F91-A117 HydrophobicContact CE1-CB 4.43Å; F91-A117 VanDerWaalsContact CE2-C 3.45Å; F91-A117 HydrophobicContact CE2-CB 3.69Å; F91-A117 WeakPolarHBondContact CE2-O 3.4Å; F91-A117 HydrophobicContact CG-CB 3.47Å; F91-A117 VanDerWaalsContact CG-CB 3.47Å; F91-A117 HydrophobicContact CZ-CB 4.26Å; F91-I118 HydrophobicContact CE1-CG1 3.77Å; F91-I118 HydrophobicContact CE2-CG1 4.28Å; F91-I118 HydrophobicContact CZ-CB 4.21Å; F91-I118 HydrophobicContact CZ-CD1 4.48Å; F91-I118 HydrophobicContact CZ-CG1 3.34Å; F91-V184 HydrophobicContact CB-CG1 3.88Å; F91-V184 HydrophobicContact CB-CG2 3.94Å; F91-V184 HydrophobicContact CD1-CG2 4.32Å; F91-V184 HydrophobicContact CG-CG2 4.32Å
92L96.5Very high94.8Very high40 Ų4039.8 Ų39.821%0.20923%0.231CC..Hα-helixtrans-64.5-47178.9-176.559.7000111.2S88 L89 I90 G94 T95 C96 V184 I185 L188S88-L92 PolarHBondContact O-N 2.99Å; L89-L92 PolarHBondContact O-N 3.24Å; I90-L92 VanDerWaalsContact C-N 3.33Å; I90-L92 PolarHBondContact O-N 2.75Å; L92-G94 PolarHBondContact O-N 3.34Å; L92-T95 WeakPolarHBondContact O-CB 3.22Å; L92-T95 PolarHBondContact O-N 2.89Å; L92-C96 PolarHBondContact O-N 3.42Å; L92-C96 PolarHBondContact O-SG 2.98Å; L92-V184 HydrophobicContact CB-CG1 3.99Å; L92-I185 HydrophobicContact CD1-CD1 4.11Å; L92-I185 HydrophobicContact CD1-CG1 3.87Å; L92-I185 HydrophobicContact CD2-CG1 4.2Å; L92-L188 HydrophobicContact CD2-CD1 4.01Å
93V97.3Very high94.6Very high79 Ų7937 Ų3748%0.47922%0.222SC..Hα-helixtrans-59.4-48.1177172.30000111.2L89 I90 T95 C96 I97 V113L89-V93 WeakPolarHBondContact O-CG2 3.47Å; L89-V93 PolarHBondContact O-N 2.8Å; I90-V93 PolarHBondContact O-N 3.38Å; V93-T95 VanDerWaalsContact C-N 3.26Å; V93-T95 PolarHBondContact O-N 2.82Å; V93-C96 PolarHBondContact O-N 3Å; V93-I97 HydrophobicContact CG1-CD1 3.78Å; V93-I97 HydrophobicContact CG1-CG1 4.4Å; V93-I97 VanDerWaalsContact O-CG1 3.29Å; V93-I97 WeakPolarHBondContact O-CG1 3.46Å; V93-I97 PolarHBondContact O-N 3.19Å; V93-V113 HydrophobicContact CG1-CG1 4.43Å
94G96.7Very high94.1Very high0 Ų039.7 Ų39.70%023%0.233CC..Hα-helixtrans-59.7-38.1177.200000112.4I90 L92 M98I90-G94 PolarHBondContact O-N 3.34Å; L92-G94 PolarHBondContact O-N 3.34Å; G94-M98 WeakPolarHBondContact O-CG 3.38Å; G94-M98 PolarHBondContact O-N 3.09Å; G94-M98 VanDerWaalsContact O-N 3.08Å
95T96.1Very high94Very high3 Ų347 Ų472%0.01826%0.262CS..Hα-helixtrans-66.8-45175.8-560000112.4H31 F91 L92 V93 I97 M98 A99 I177H31-T95 PolarHBondContact CE1-OG1 3.37Å; H31-T95 PolarHBondContact NE2-OG1 2.87Å; F91-T95 WeakPolarHBondContact O-CB 3.44Å; F91-T95 PolarHBondContact O-N 2.68Å; F91-T95 PolarHBondContact O-OG1 3.08Å; L92-T95 WeakPolarHBondContact O-CB 3.22Å; L92-T95 PolarHBondContact O-N 2.89Å; V93-T95 VanDerWaalsContact C-N 3.26Å; V93-T95 PolarHBondContact O-N 2.82Å; T95-I97 PolarHBondContact O-N 3.36Å; T95-M98 PolarHBondContact O-N 3.41Å; T95-A99 WeakPolarHBondContact O-CB 3.22Å; T95-A99 PolarHBondContact O-N 3.2Å; T95-I177 HydrophobicContact CG2-CG2 4.19Å; T95-I177 VanDerWaalsContact CG2-O 3.32Å; T95-I177 WeakPolarHBondContact CG2-O 3.43Å
96C95.9Very high93.9Very high72 Ų7247.1 Ų47.149%0.48627%0.265SS..Hα-helixtrans-61.7-42.9176.6-67.50000111.7L92 V93 M98 A99 A100L92-C96 PolarHBondContact O-N 3.42Å; L92-C96 PolarHBondContact O-SG 2.98Å; V93-C96 PolarHBondContact O-N 3Å; C96-M98 PolarHBondContact O-N 3.37Å; C96-A99 PolarHBondContact O-N 3.24Å; C96-A100 VanDerWaalsContact O-CB 3.25Å; C96-A100 WeakPolarHBondContact O-CB 3.25Å; C96-A100 PolarHBondContact O-N 3.4Å
97I96.4Very high93.7Very high54 Ų5445 Ų4528%0.27725%0.247SC..Hα-helixtrans-59.7-46.8176.5-67.4166.4000110.5V93 T95 A100 A101 T106 V113V93-I97 HydrophobicContact CG1-CD1 3.78Å; V93-I97 HydrophobicContact CG1-CG1 4.4Å; V93-I97 VanDerWaalsContact O-CG1 3.29Å; V93-I97 WeakPolarHBondContact O-CG1 3.46Å; V93-I97 PolarHBondContact O-N 3.19Å; T95-I97 PolarHBondContact O-N 3.36Å; I97-A100 PolarHBondContact O-N 3.49Å; I97-A101 PolarHBondContact O-N 3.3Å; I97-T106 HydrophobicContact CG2-CG2 3.91Å; I97-V113 HydrophobicContact CD1-CG2 4.21Å
98M93.6Very high93.6Very high0 Ų046.6 Ų46.60%026%0.255CS..Hα-helixtrans-66.6-42.1178.5-69.1-173.8-66.400112.4G94 T95 C96 A100 A101 L107 R111 L114 W173 I177G94-M98 WeakPolarHBondContact O-CG 3.38Å; G94-M98 PolarHBondContact O-N 3.09Å; G94-M98 VanDerWaalsContact O-N 3.08Å; T95-M98 PolarHBondContact O-N 3.41Å; C96-M98 PolarHBondContact O-N 3.37Å; M98-A100 VanDerWaalsContact C-N 3.29Å; M98-A100 PolarHBondContact O-N 3.27Å; M98-A101 VanDerWaalsContact O-CB 3.3Å; M98-A101 WeakPolarHBondContact O-CB 3.21Å; M98-A101 PolarHBondContact O-N 3.42Å; M98-L107 HydrophobicContact CB-CD1 4.08Å; M98-L107 HydrophobicContact CG-CD1 4.09Å; M98-R111 HydrophobicContact SD-CG 3.94Å; M98-L114 HydrophobicContact CE-CB 4.3Å; M98-L114 HydrophobicContact CE-CD1 3.96Å; M98-L114 HydrophobicContact CE-CD2 3.54Å; M98-L114 HydrophobicContact CE-CG 4.15Å; M98-L114 HydrophobicContact SD-CD2 4.15Å; M98-W173 WeakPolarHBondContact O-CZ3 3.37Å; M98-I177 HydrophobicContact CB-CD1 4.28Å; M98-I177 HydrophobicContact CB-CG2 3.71Å; M98-I177 HydrophobicContact CE-CG2 3.87Å; M98-I177 HydrophobicContact SD-CG2 4.48Å
99A93.1Very high93.6Very high24 Ų2448.9 Ų48.920%0.19827%0.274CS..Hα-helixtrans-68.4-29.5-179.800000112.5T95 C96 R174T95-A99 WeakPolarHBondContact O-CB 3.22Å; T95-A99 PolarHBondContact O-N 3.2Å; C96-A99 PolarHBondContact O-N 3.24Å; A99-R174 WeakPolarHBondContact O-CD 3.44Å; A99-R174 WeakPolarHBondContact O-CG 3.24Å; A99-R174 PolarHBondContact O-NH1 3.17Å
100A93Very high93.6Very high65 Ų6544.6 Ų44.654%0.53725%0.252SS..THydrogen-bonded Turntrans-89.3-1.5174.800000113.5C96 I97 M98 D102 R174C96-A100 VanDerWaalsContact O-CB 3.25Å; C96-A100 WeakPolarHBondContact O-CB 3.25Å; C96-A100 PolarHBondContact O-N 3.4Å; I97-A100 PolarHBondContact O-N 3.49Å; M98-A100 VanDerWaalsContact C-N 3.29Å; M98-A100 PolarHBondContact O-N 3.27Å; A100-D102 PolarHBondContact O-N 3.22Å; A100-R174 PolarHBondContact O-NH1 3.4Å
101A91.1Very high93.4Very high0 Ų042 Ų420%024%0.238CC..  trans-65.1119.7-17500000112Y46 I97 M98 T106 L107 W173 R174Y46-A101 PolarHBondContact OH-O 3.46Å; Y46-A101 VanDerWaalsContact OH-O 3.11Å; I97-A101 PolarHBondContact O-N 3.3Å; M98-A101 VanDerWaalsContact O-CB 3.3Å; M98-A101 WeakPolarHBondContact O-CB 3.21Å; M98-A101 PolarHBondContact O-N 3.42Å; A101-T106 HydrophobicContact CB-CG2 3.79Å; A101-L107 HydrophobicContact CB-CB 4.06Å; A101-W173 HydrophobicContact CB-CH2 4.43Å; A101-W173 WeakPolarHBondContact O-CH2 3.49Å; A101-R174 VanDerWaalsContact O-CZ 3.27Å; A101-R174 PolarHBondContact O-NH1 3.49Å; A101-R174 VanDerWaalsContact O-NH1 3.1Å; A101-R174 PolarHBondContact O-NH2 3.44Å
102D88.3Confident93.5Very high124 Ų12445.7 Ų45.766%0.66326%0.258SS*.  trans-97.5-13.4171.3-70.6-34.4000112.5Y46 A100 R174Y46-D102 WeakPolarHBondContact CE1-O 3.26Å; Y46-D102 WeakPolarHBondContact OH-CA 3.47Å; Y46-D102 PolarHBondContact OH-O 3.5Å; A100-D102 PolarHBondContact O-N 3.22Å; D102-R174 IonicContact OD1-CZ 3.94Å; D102-R174 IonicContact OD1-NH1 3.34Å; D102-R174 IonicContact OD1-NH2 3.4Å; D102-R174 PolarHBondContact OD1-NH2 3.46Å
103D88.5Confident93.5Very high60 Ų6045.4 Ų45.432%0.32126%0.258SS..SBendtrans-129.9162176.781.9-90.3000112.6Y105 T106 L107D103-Y105 VanDerWaalsContact C-N 3.35Å; D103-Y105 PolarHBondContact O-N 3.25Å; D103-Y105 WeakPolarHBondContact OD2-CA 3.23Å; D103-Y105 WeakPolarHBondContact OD2-CB 3.04Å; D103-Y105 PolarHBondContact OD2-N 3.18Å; D103-T106 PolarHBondContact O-N 3.05Å; D103-T106 VanDerWaalsContact OD1-CB 3.23Å; D103-T106 WeakPolarHBondContact OD1-CB 3.16Å; D103-T106 PolarHBondContact OD1-OG1 3.48Å; D103-T106 PolarHBondContact OD2-N 3.43Å; D103-L107 PolarHBondContact O-N 3.17Å
104K86Confident93.4Very high68 Ų6841.7 Ų41.730%0.29624%0.235SC..Hα-helixtrans-66.2-28.3-177.766.3-162-173.1176.60114.6Y46 L48 L52 L108Y46-K104 HydrophobicContact CG-CB 4.46Å; L48-K104 HydrophobicContact CD2-CB 3.97Å; L52-K104 HydrophobicContact CD2-CB 4.15Å; L52-K104 HydrophobicContact CD2-CD 3.58Å; L52-K104 HydrophobicContact CD2-CG 4.01Å; K104-L108 PolarHBondContact O-N 2.72Å; K104-L108 VanDerWaalsContact O-N 3.11Å
105Y91Very high93.3Very high153 Ų15341.7 Ų41.760%0.624%0.235SC*.Hα-helixtrans-78.2-36.7176.2-52.1-69.6000112.2D103 L107 L108 A109D103-Y105 VanDerWaalsContact C-N 3.35Å; D103-Y105 PolarHBondContact O-N 3.25Å; D103-Y105 WeakPolarHBondContact OD2-CA 3.23Å; D103-Y105 WeakPolarHBondContact OD2-CB 3.04Å; D103-Y105 PolarHBondContact OD2-N 3.18Å; Y105-L107 VanDerWaalsContact C-N 3.31Å; Y105-L108 WeakPolarHBondContact O-CB 3.44Å; Y105-L108 PolarHBondContact O-N 2.76Å; Y105-A109 PolarHBondContact O-N 2.91Å
106T93.2Very high93.2Very high51 Ų5144.8 Ų44.831%0.31325%0.251SS..Hα-helixtrans-63.3-40.2171.3-64.90000110.9I97 A101 D103 L108 A109 G110I97-T106 HydrophobicContact CG2-CG2 3.91Å; A101-T106 HydrophobicContact CB-CG2 3.79Å; D103-T106 PolarHBondContact O-N 3.05Å; D103-T106 VanDerWaalsContact OD1-CB 3.23Å; D103-T106 WeakPolarHBondContact OD1-CB 3.16Å; D103-T106 PolarHBondContact OD1-OG1 3.48Å; D103-T106 PolarHBondContact OD2-N 3.43Å; T106-L108 VanDerWaalsContact C-N 3.33Å; T106-L108 PolarHBondContact O-N 3.03Å; T106-A109 PolarHBondContact O-N 3.37Å; T106-G110 PolarHBondContact O-N 3.28Å
107L91.8Very high93.2Very high0 Ų041.4 Ų41.40%023%0.228CC..Hα-helixtrans-59.7-43.7172.1-17768.5000111.6L42 I56 M98 A101 D103 Y105 G110 R111 I177L42-L107 HydrophobicContact CD1-CD2 3.81Å; L42-L107 HydrophobicContact CD2-CD2 4.08Å; I56-L107 HydrophobicContact CD1-CD2 4.1Å; M98-L107 HydrophobicContact CB-CD1 4.08Å; M98-L107 HydrophobicContact CG-CD1 4.09Å; A101-L107 HydrophobicContact CB-CB 4.06Å; D103-L107 PolarHBondContact O-N 3.17Å; Y105-L107 VanDerWaalsContact C-N 3.31Å; L107-G110 PolarHBondContact O-N 2.78Å; L107-R111 VanDerWaalsContact O-CG 3.29Å; L107-R111 WeakPolarHBondContact O-CG 2.96Å; L107-R111 PolarHBondContact O-N 2.68Å; L107-I177 HydrophobicContact CD1-CD1 4.3Å
108L93.1Very high93Very high35 Ų3538.9 Ų38.918%0.18322%0.215CC..Hα-helixtrans-62.8-41.5176.4-171.372.2000112.2L55 I56 V59 K104 Y105 T106 R111 L112L55-L108 HydrophobicContact CD2-CD1 4.35Å; L55-L108 HydrophobicContact CD2-CD2 4.08Å; L55-L108 HydrophobicContact CG-CD1 3.98Å; I56-L108 HydrophobicContact CG1-CD1 4.09Å; V59-L108 HydrophobicContact CB-CD1 4.21Å; V59-L108 HydrophobicContact CG1-CD1 3.64Å; V59-L108 HydrophobicContact CG1-CG 4.49Å; K104-L108 PolarHBondContact O-N 2.72Å; K104-L108 VanDerWaalsContact O-N 3.11Å; Y105-L108 WeakPolarHBondContact O-CB 3.44Å; Y105-L108 PolarHBondContact O-N 2.76Å; T106-L108 VanDerWaalsContact C-N 3.33Å; T106-L108 PolarHBondContact O-N 3.03Å; L108-R111 WeakPolarHBondContact O-CB 3.35Å; L108-R111 PolarHBondContact O-N 2.83Å; L108-L112 PolarHBondContact O-N 2.72Å
109A95.5Very high92.8Very high48 Ų4838.9 Ų38.940%0.39722%0.215SC..Hα-helixtrans-63-43.8175.500000111.4Y105 T106 R111 L112 V113Y105-A109 PolarHBondContact O-N 2.91Å; T106-A109 PolarHBondContact O-N 3.37Å; A109-R111 VanDerWaalsContact C-N 3.3Å; A109-R111 PolarHBondContact O-N 2.99Å; A109-L112 WeakPolarHBondContact O-CB 3.23Å; A109-L112 PolarHBondContact O-N 3.17Å; A109-V113 WeakPolarHBondContact O-CG2 3.29Å; A109-V113 PolarHBondContact O-N 3.46Å
110G95.8Very high92.7Very high0 Ų038.1 Ų38.10%021%0.208CC..Hα-helixtrans-60.5-38.7174.300000112.7T106 L107 V113 L114T106-G110 PolarHBondContact O-N 3.28Å; L107-G110 PolarHBondContact O-N 2.78Å; G110-V113 PolarHBondContact O-N 3.38Å; G110-L114 VanDerWaalsContact O-CB 3.31Å; G110-L114 WeakPolarHBondContact O-CB 3.27Å; G110-L114 PolarHBondContact O-N 2.95Å
111R94Very high92.6Very high4 Ų435 Ų352%0.01518%0.183CC..Hα-helixtrans-64.6-36.9174.7-76-82.3170.3-171.3-13.1113.6I35 I56 V59 T60 M98 L107 L108 A109 G115I35-R111 VanDerWaalsContact CB-NH2 3.28Å; I35-R111 VanDerWaalsContact CD1-NH2 3.32Å; I56-R111 HydrophobicContact CG2-CG 4.12Å; V59-R111 HydrophobicContact CG1-CB 3.83Å; T60-R111 WeakPolarHBondContact OG1-CB 3.17Å; T60-R111 VanDerWaalsContact OG1-CD 3.29Å; T60-R111 WeakPolarHBondContact OG1-CD 3.45Å; T60-R111 PolarHBondContact OG1-O 3.13Å; M98-R111 HydrophobicContact SD-CG 3.94Å; L107-R111 VanDerWaalsContact O-CG 3.29Å; L107-R111 WeakPolarHBondContact O-CG 2.96Å; L107-R111 PolarHBondContact O-N 2.68Å; L108-R111 WeakPolarHBondContact O-CB 3.35Å; L108-R111 PolarHBondContact O-N 2.83Å; A109-R111 VanDerWaalsContact C-N 3.3Å; A109-R111 PolarHBondContact O-N 2.99Å; R111-G115 PolarHBondContact O-N 3.44Å
112L96Very high92.4Very high80 Ų8035 Ų3542%0.41918%0.183SC..Hα-helixtrans-64.1-49.6173.9-174.977.2000110.6V59 A63 L108 A109 L114 G115 I116V59-L112 HydrophobicContact CG2-CB 4.47Å; V59-L112 HydrophobicContact CG2-CD1 3.7Å; A63-L112 HydrophobicContact CB-CD1 3.83Å; A63-L112 HydrophobicContact CB-CG 4.48Å; A63-L112 WeakPolarHBondContact CB-O 3.05Å; L108-L112 PolarHBondContact O-N 2.72Å; A109-L112 WeakPolarHBondContact O-CB 3.23Å; A109-L112 PolarHBondContact O-N 3.17Å; L112-L114 VanDerWaalsContact C-N 3.33Å; L112-L114 PolarHBondContact O-N 3.31Å; L112-G115 PolarHBondContact O-N 3.07Å; L112-G115 VanDerWaalsContact O-N 3.15Å; L112-I116 PolarHBondContact O-N 3.18Å; L112-I116 VanDerWaalsContact O-N 3.11Å
113V97.1Very high92.3Very high34 Ų3429.1 Ų29.121%0.20615%0.151CC..Hα-helixtrans-60.3-44178.1176.40000111I90 V93 I97 A109 G110 G115 I116 A117I90-V113 HydrophobicContact CG2-CG1 3.66Å; I90-V113 WeakPolarHBondContact CG2-O 2.96Å; V93-V113 HydrophobicContact CG1-CG1 4.43Å; I97-V113 HydrophobicContact CD1-CG2 4.21Å; A109-V113 WeakPolarHBondContact O-CG2 3.29Å; A109-V113 PolarHBondContact O-N 3.46Å; G110-V113 PolarHBondContact O-N 3.38Å; V113-G115 VanDerWaalsContact C-N 3.32Å; V113-G115 PolarHBondContact O-N 2.99Å; V113-I116 WeakPolarHBondContact O-CB 3.35Å; V113-I116 PolarHBondContact O-N 2.51Å; V113-A117 PolarHBondContact O-N 3.17Å
114L94.8Very high92.3Very high0 Ų026.3 Ų26.30%014%0.136CC..Hα-helixtrans-61.1-40.5175.6-166.775.4000112.1H31 F91 M98 G110 L112 I116 A117 I118H31-L114 HydrophobicContact CB-CD1 4.11Å; H31-L114 HydrophobicContact CB-CD2 3.71Å; H31-L114 HydrophobicContact CB-CG 4.23Å; F91-L114 HydrophobicContact CD1-CD1 3.45Å; F91-L114 VanDerWaalsContact CD1-CD1 3.45Å; F91-L114 HydrophobicContact CD1-CG 4.45Å; F91-L114 HydrophobicContact CE1-CD1 3.66Å; F91-L114 HydrophobicContact CE1-CG 4.26Å; M98-L114 HydrophobicContact CE-CB 4.3Å; M98-L114 HydrophobicContact CE-CD1 3.96Å; M98-L114 HydrophobicContact CE-CD2 3.54Å; M98-L114 HydrophobicContact CE-CG 4.15Å; M98-L114 HydrophobicContact SD-CD2 4.15Å; G110-L114 VanDerWaalsContact O-CB 3.31Å; G110-L114 WeakPolarHBondContact O-CB 3.27Å; G110-L114 PolarHBondContact O-N 2.95Å; L112-L114 VanDerWaalsContact C-N 3.33Å; L112-L114 PolarHBondContact O-N 3.31Å; L114-I116 VanDerWaalsContact C-N 3.33Å; L114-I116 PolarHBondContact O-N 3.2Å; L114-A117 WeakPolarHBondContact O-CB 3.3Å; L114-A117 PolarHBondContact O-N 2.79Å; L114-A117 VanDerWaalsContact O-N 3.16Å; L114-I118 HydrophobicContact CD2-CD1 4.28Å; L114-I118 HydrophobicContact CG-CD1 3.99Å; L114-I118 VanDerWaalsContact O-CG1 3.31Å; L114-I118 WeakPolarHBondContact O-CG1 3.24Å; L114-I118 PolarHBondContact O-N 2.71Å
115G94Very high92.5Very high0 Ų023 Ų230%012%0.122CC..Hα-helixtrans-60.4-41.617600000112.6T60 A64 R111 L112 V113 A117 I118 G119T60-G115 VanDerWaalsContact O-CA 3.27Å; T60-G115 WeakPolarHBondContact O-CA 3.42Å; A64-G115 WeakPolarHBondContact CA-O 3.24Å; A64-G115 WeakPolarHBondContact CB-O 3.09Å; A64-G115 PolarHBondContact N-O 3.33Å; R111-G115 PolarHBondContact O-N 3.44Å; L112-G115 PolarHBondContact O-N 3.07Å; L112-G115 VanDerWaalsContact O-N 3.15Å; V113-G115 VanDerWaalsContact C-N 3.32Å; V113-G115 PolarHBondContact O-N 2.99Å; G115-A117 VanDerWaalsContact C-N 3.29Å; G115-A117 PolarHBondContact O-N 3.27Å; G115-I118 PolarHBondContact O-N 3.24Å; G115-G119 PolarHBondContact O-N 2.93Å
116I95.3Very high92.2Very high69 Ų6915.8 Ų15.835%0.3549%0.093SC..Hα-helixtrans-58.8-43.9174-63.6169.9000110.7A63 S67 I90 L112 V113 L114 S120A63-I116 HydrophobicContact CB-CG1 4.25Å; S67-I116 WeakPolarHBondContact CB-O 3.05Å; S67-I116 PolarHBondContact OG-O 3.1Å; I90-I116 HydrophobicContact CD1-CG2 4.48Å; I90-I116 HydrophobicContact CG2-CG2 4.43Å; L112-I116 PolarHBondContact O-N 3.18Å; L112-I116 VanDerWaalsContact O-N 3.11Å; V113-I116 WeakPolarHBondContact O-CB 3.35Å; V113-I116 PolarHBondContact O-N 2.51Å; L114-I116 VanDerWaalsContact C-N 3.33Å; L114-I116 PolarHBondContact O-N 3.2Å; I116-S120 VanDerWaalsContact O-CB 3.26Å; I116-S120 WeakPolarHBondContact O-CB 3.49Å; I116-S120 PolarHBondContact O-N 2.97Å
117A95Very high91.8Very high0 Ų013.6 Ų13.60%08%0.08CC..Hα-helixtrans-65.1-44.2178.600000112.1I90 F91 V113 L114 G115 S120 T121I90-A117 HydrophobicContact CB-CB 4.14Å; I90-A117 HydrophobicContact CG2-CB 3.9Å; F91-A117 HydrophobicContact CB-CB 3.95Å; F91-A117 HydrophobicContact CD1-CB 4.08Å; F91-A117 HydrophobicContact CD2-CB 3.27Å; F91-A117 HydrophobicContact CE1-CB 4.43Å; F91-A117 VanDerWaalsContact CE2-C 3.45Å; F91-A117 HydrophobicContact CE2-CB 3.69Å; F91-A117 WeakPolarHBondContact CE2-O 3.4Å; F91-A117 HydrophobicContact CG-CB 3.47Å; F91-A117 VanDerWaalsContact CG-CB 3.47Å; F91-A117 HydrophobicContact CZ-CB 4.26Å; V113-A117 PolarHBondContact O-N 3.17Å; L114-A117 WeakPolarHBondContact O-CB 3.3Å; L114-A117 PolarHBondContact O-N 2.79Å; L114-A117 VanDerWaalsContact O-N 3.16Å; G115-A117 VanDerWaalsContact C-N 3.29Å; G115-A117 PolarHBondContact O-N 3.27Å; A117-S120 PolarHBondContact O-N 3.13Å; A117-T121 WeakPolarHBondContact O-CB 3.43Å; A117-T121 PolarHBondContact O-N 3.19Å; A117-T121 PolarHBondContact O-OG1 3.33Å; A117-T121 VanDerWaalsContact O-OG1 3.08Å
118I92.5Very high91.7Very high1 Ų113.6 Ų13.61%0.0058%0.08CC..Hα-helixtrans-60.2-49.9177.8-70.8160.7000111.1I28 M32 T60 A64 F91 L114 G115 G122 F526I28-I118 HydrophobicContact CG2-CG2 4.02Å; M32-I118 HydrophobicContact CG-CD1 4.09Å; M32-I118 HydrophobicContact SD-CD1 3.77Å; T60-I118 HydrophobicContact CG2-CD1 3.61Å; A64-I118 HydrophobicContact CB-CB 4.46Å; A64-I118 HydrophobicContact CB-CG2 4.2Å; F91-I118 HydrophobicContact CE1-CG1 3.77Å; F91-I118 HydrophobicContact CE2-CG1 4.28Å; F91-I118 HydrophobicContact CZ-CB 4.21Å; F91-I118 HydrophobicContact CZ-CD1 4.48Å; F91-I118 HydrophobicContact CZ-CG1 3.34Å; L114-I118 HydrophobicContact CD2-CD1 4.28Å; L114-I118 HydrophobicContact CG-CD1 3.99Å; L114-I118 VanDerWaalsContact O-CG1 3.31Å; L114-I118 WeakPolarHBondContact O-CG1 3.24Å; L114-I118 PolarHBondContact O-N 2.71Å; G115-I118 PolarHBondContact O-N 3.24Å; I118-G122 WeakPolarHBondContact O-CA 3.3Å; I118-G122 PolarHBondContact O-N 3.17Å; I118-F526 HydrophobicContact CG2-CD1 3.95Å; I118-F526 HydrophobicContact CG2-CE1 3.6Å; I118-F526 HydrophobicContact CG2-CZ 4.46Å
119G89.9Confident91.5Very high0 Ų011.9 Ų11.90%07%0.071CC..Hα-helixtrans-67.4-37-178.800000113A64 S67 G115 S123A64-G119 WeakPolarHBondContact O-CA 3.37Å; S67-G119 WeakPolarHBondContact OG-CA 3.49Å; G115-G119 PolarHBondContact O-N 2.93Å; G119-S123 WeakPolarHBondContact O-CB 3.35Å; G119-S123 PolarHBondContact O-N 3.26Å; G119-S123 VanDerWaalsContact O-N 3.11Å; G119-S123 PolarHBondContact O-OG 3.21Å
120S90.8Very high91Very high9 Ų99.9 Ų9.96%0.0635%0.054CC..Hα-helixtrans-67.9-49.8177.1-171.40000112.5T71 S87 I116 A117 S123 T124T71-S120 VanDerWaalsContact CG2-OG 3.25Å; T71-S120 WeakPolarHBondContact CG2-OG 3.14Å; T71-S120 WeakPolarHBondContact OG1-CA 3.46Å; T71-S120 VanDerWaalsContact OG1-CB 3.26Å; T71-S120 WeakPolarHBondContact OG1-CB 3.33Å; T71-S120 PolarHBondContact OG1-OG 3.19Å; S87-S120 VanDerWaalsContact OG-CB 3.24Å; S87-S120 WeakPolarHBondContact OG-CB 3.34Å; S87-S120 PolarHBondContact OG-OG 3Å; I116-S120 VanDerWaalsContact O-CB 3.26Å; I116-S120 WeakPolarHBondContact O-CB 3.49Å; I116-S120 PolarHBondContact O-N 2.97Å; A117-S120 PolarHBondContact O-N 3.13Å; S120-S123 PolarHBondContact O-OG 3.35Å; S120-S123 VanDerWaalsContact O-OG 3.13Å; S120-T124 VanDerWaalsContact O-CB 3.28Å; S120-T124 WeakPolarHBondContact O-CB 3.18Å; S120-T124 PolarHBondContact O-N 2.98Å; S120-T124 VanDerWaalsContact O-N 3.11Å; S120-T124 PolarHBondContact O-OG1 2.88Å
121T91.3Very high90.5Very high0 Ų011.2 Ų11.20%06%0.061CC..Hα-helixtrans-66.3-43.1177.2-58.10000111.2I28 S87 A117 S123 T124 V125I28-T121 HydrophobicContact CD1-CG2 3.83Å; I28-T121 HydrophobicContact CG1-CG2 4.39Å; S87-T121 WeakPolarHBondContact CB-OG1 3.31Å; A117-T121 WeakPolarHBondContact O-CB 3.43Å; A117-T121 PolarHBondContact O-N 3.19Å; A117-T121 PolarHBondContact O-OG1 3.33Å; A117-T121 VanDerWaalsContact O-OG1 3.08Å; T121-S123 VanDerWaalsContact C-N 3.3Å; T121-S123 PolarHBondContact O-N 2.89Å; T121-T124 PolarHBondContact O-N 2.98Å; T121-V125 HydrophobicContact CG2-CG2 3.59Å; T121-V125 WeakPolarHBondContact O-CB 3.27Å; T121-V125 WeakPolarHBondContact O-CG2 3.36Å; T121-V125 PolarHBondContact O-N 3.48Å
122G87.5Confident90.1Very high0 Ų011.1 Ų11.10%06%0.061CC..Hα-helixtrans-62.5-32.7-178.600000113.8I118 P126 H522I118-G122 WeakPolarHBondContact O-CA 3.3Å; I118-G122 PolarHBondContact O-N 3.17Å; G122-P126 WeakPolarHBondContact O-CD 3.21Å; G122-P126 WeakPolarHBondContact O-CG 3.49Å; G122-H522 PolarHBondContact O-CD2 3.26Å
123S84.3Confident89.5Confident0 Ų07.3 Ų7.30%04%0.041CC..Hα-helixtrans-84.9-32.5175.259.80000113.6G119 S120 T121G119-S123 WeakPolarHBondContact O-CB 3.35Å; G119-S123 PolarHBondContact O-N 3.26Å; G119-S123 VanDerWaalsContact O-N 3.11Å; G119-S123 PolarHBondContact O-OG 3.21Å; S120-S123 PolarHBondContact O-OG 3.35Å; S120-S123 VanDerWaalsContact O-OG 3.13Å; T121-S123 VanDerWaalsContact C-N 3.3Å; T121-S123 PolarHBondContact O-N 2.89Å
124T89.3Confident88.8Confident0 Ų05.8 Ų5.80%03%0.032CC..Hα-helixtrans-84.7-44.5-172.2-55.60000113.4T71 N75 R80 V83 I84 S120 T121 A127 Y128T71-T124 WeakPolarHBondContact CG2-OG1 3.42Å; N75-T124 PolarHBondContact ND2-OG1 3.29Å; N75-T124 WeakPolarHBondContact OD1-CG2 3.23Å; N75-T124 PolarHBondContact OD1-OG1 3.24Å; R80-T124 HydrophobicContact CB-CG2 4.2Å; R80-T124 HydrophobicContact CG-CG2 4.34Å; V83-T124 HydrophobicContact CB-CG2 4.37Å; V83-T124 HydrophobicContact CG1-CG2 4.13Å; I84-T124 HydrophobicContact CD1-CG2 4.11Å; I84-T124 HydrophobicContact CG1-CG2 3.64Å; S120-T124 VanDerWaalsContact O-CB 3.28Å; S120-T124 WeakPolarHBondContact O-CB 3.18Å; S120-T124 PolarHBondContact O-N 2.98Å; S120-T124 VanDerWaalsContact O-N 3.11Å; S120-T124 PolarHBondContact O-OG1 2.88Å; T121-T124 PolarHBondContact O-N 2.98Å; T124-A127 WeakPolarHBondContact O-CB 3.18Å; T124-A127 PolarHBondContact O-N 2.83Å; T124-Y128 PolarHBondContact O-N 3.1Å
125V90.2Very high87.9Confident0 Ų08.9 Ų8.90%05%0.051CC..Hα-helixtrans-61.6-45.1-174.6171.80000112.1A21 I84 T121 A127 Y128 L129 F145A21-V125 VanDerWaalsContact O-CG1 3.24Å; A21-V125 WeakPolarHBondContact O-CG1 3.3Å; I84-V125 HydrophobicContact CD1-CG2 4.05Å; I84-V125 HydrophobicContact CG1-CG2 4.06Å; I84-V125 HydrophobicContact CG2-CG2 4.43Å; T121-V125 HydrophobicContact CG2-CG2 3.59Å; T121-V125 WeakPolarHBondContact O-CB 3.27Å; T121-V125 WeakPolarHBondContact O-CG2 3.36Å; T121-V125 PolarHBondContact O-N 3.48Å; V125-A127 VanDerWaalsContact C-N 3.31Å; V125-A127 PolarHBondContact O-N 3.24Å; V125-Y128 WeakPolarHBondContact O-CB 3.38Å; V125-Y128 PolarHBondContact O-N 3.49Å; V125-L129 HydrophobicContact CG1-CD1 4.1Å; V125-L129 HydrophobicContact CG1-CG 4.32Å; V125-L129 WeakPolarHBondContact O-CG 3.44Å; V125-L129 PolarHBondContact O-N 3.08Å; V125-F145 HydrophobicContact CB-CD2 4.48Å; V125-F145 HydrophobicContact CB-CE2 3.93Å; V125-F145 HydrophobicContact CB-CZ 4.33Å; V125-F145 HydrophobicContact CG1-CD2 3.64Å; V125-F145 HydrophobicContact CG1-CE2 3.54Å; V125-F145 HydrophobicContact CG1-CZ 4.34Å
126P85.7Confident86.9Confident1 Ų112.8 Ų12.81%0.0067%0.069CC..Hα-helixtrans-66.8-33178.5-25.740.4000113G122 A130 L142 F145 H522G122-P126 WeakPolarHBondContact O-CD 3.21Å; G122-P126 WeakPolarHBondContact O-CG 3.49Å; P126-A130 WeakPolarHBondContact O-CB 3.37Å; P126-A130 PolarHBondContact O-N 2.74Å; P126-L142 WeakPolarHBondContact O-CD2 3.46Å; P126-F145 HydrophobicContact CG-CD1 3.9Å; P126-F145 HydrophobicContact CG-CE1 3.74Å; P126-F145 HydrophobicContact CG-CZ 4.28Å; P126-H522 HydrophobicContact CB-CB 3.97Å; P126-H522 HydrophobicContact CG-CB 4.07Å; P126-H522 VanDerWaalsContact CG-CG 3.44Å
127A84.6Confident86.1Confident4 Ų411.8 Ų11.83%0.0336%0.064CC..Hα-helixtrans-65.1-45.4172.300000110.8T124 V125 A130 E131 C519T124-A127 WeakPolarHBondContact O-CB 3.18Å; T124-A127 PolarHBondContact O-N 2.83Å; V125-A127 VanDerWaalsContact C-N 3.31Å; V125-A127 PolarHBondContact O-N 3.24Å; A127-A130 PolarHBondContact O-N 2.98Å; A127-E131 VanDerWaalsContact O-CG 3.31Å; A127-E131 WeakPolarHBondContact O-CG 3.35Å; A127-E131 PolarHBondContact O-N 3.04Å; A127-E131 VanDerWaalsContact O-N 3.08Å; A127-C519 VanDerWaalsContact CB-SG 3.6Å
128Y89.7Confident85.4Confident0 Ų012.9 Ų12.90%07%0.068CC..Hα-helixtrans-57.3-51.2174.5179.5-92.3000111.6A21 R80 I84 T124 V125 A130 E131 T132 L194 A195A21-Y128 HydrophobicContact CB-CD1 3.74Å; A21-Y128 HydrophobicContact CB-CE1 3.83Å; R80-Y128 HydrophobicContact CB-CD2 3.77Å; I84-Y128 HydrophobicContact CD1-CG 4.32Å; T124-Y128 PolarHBondContact O-N 3.1Å; V125-Y128 WeakPolarHBondContact O-CB 3.38Å; V125-Y128 PolarHBondContact O-N 3.49Å; Y128-A130 VanDerWaalsContact C-N 3.29Å; Y128-A130 PolarHBondContact O-N 3.3Å; Y128-E131 PolarHBondContact O-N 3.43Å; Y128-T132 HydrophobicContact CD1-CG2 4.3Å; Y128-T132 HydrophobicContact CD2-CG2 4.14Å; Y128-T132 HydrophobicContact CE1-CG2 3.84Å; Y128-T132 HydrophobicContact CE2-CG2 3.69Å; Y128-T132 HydrophobicContact CG-CG2 4.43Å; Y128-T132 PolarHBondContact O-N 3.49Å; Y128-T132 PolarHBondContact O-OG1 2.72Å; Y128-L194 HydrophobicContact CE1-CD1 3.71Å; Y128-L194 HydrophobicContact CE1-CD2 4.06Å; Y128-L194 HydrophobicContact CE1-CG 4.08Å; Y128-L194 HydrophobicContact CE2-CD2 4.24Å; Y128-L194 HydrophobicContact CE2-CG 4.29Å; Y128-L194 WeakPolarHBondContact OH-CD1 3.25Å; Y128-L194 VanDerWaalsContact OH-CG 3.26Å; Y128-L194 WeakPolarHBondContact OH-CG 3.24Å; Y128-A195 VanDerWaalsContact CE2-O 3.22Å; Y128-A195 WeakPolarHBondContact CE2-O 3.27Å; Y128-A195 PolarHBondContact OH-O 3.41Å
129L87.4Confident84.4Confident0 Ų013.8 Ų13.80%08%0.077CC..Hα-helixtrans-59.3-38.8178.3-68.6176.2000112.3A21 V22 V125 E131 T133 V141 L142 F145A21-L129 HydrophobicContact CB-CD2 3.53Å; A21-L129 HydrophobicContact CB-CG 4.27Å; V22-L129 HydrophobicContact CG2-CD1 3.77Å; V22-L129 HydrophobicContact CG2-CD2 3.99Å; V125-L129 HydrophobicContact CG1-CD1 4.1Å; V125-L129 HydrophobicContact CG1-CG 4.32Å; V125-L129 WeakPolarHBondContact O-CG 3.44Å; V125-L129 PolarHBondContact O-N 3.08Å; L129-E131 VanDerWaalsContact C-N 3.28Å; L129-E131 PolarHBondContact O-N 3.37Å; L129-T133 WeakPolarHBondContact O-CB 3.29Å; L129-T133 PolarHBondContact O-N 2.74Å; L129-T133 VanDerWaalsContact O-N 3.09Å; L129-T133 PolarHBondContact O-OG1 2.8Å; L129-V141 HydrophobicContact CB-CG1 4.41Å; L129-V141 HydrophobicContact CD1-CG1 4.41Å; L129-V141 HydrophobicContact CD2-CG1 3.75Å; L129-V141 HydrophobicContact CG-CG1 4.41Å; L129-L142 HydrophobicContact CB-CD2 3.77Å; L129-F145 HydrophobicContact CD1-CB 4.01Å
130A84.8Confident83.9Confident5 Ų518.4 Ų18.44%0.04110%0.097CC..Hα-helixtrans-67.1-29.6177.100000112.8P126 A127 Y128 R138 L142P126-A130 WeakPolarHBondContact O-CB 3.37Å; P126-A130 PolarHBondContact O-N 2.74Å; A127-A130 PolarHBondContact O-N 2.98Å; Y128-A130 VanDerWaalsContact C-N 3.29Å; Y128-A130 PolarHBondContact O-N 3.3Å; A130-R138 PolarHBondContact O-NE 3.24Å; A130-R138 VanDerWaalsContact O-NE 3.12Å; A130-L142 HydrophobicContact CB-CD1 4.49Å; A130-L142 HydrophobicContact CB-CD2 4.34Å
131E85.5Confident83.5Confident28 Ų2818.3 Ų18.313%0.13110%0.096CC..Hα-helixtrans-88.4-26.5-178.8-69.8171.6-168.300113.3R80 A127 Y128 L129 S197 H199R80-E131 IonicContact CZ-OE1 3.59Å; R80-E131 VanDerWaalsContact CZ-OE1 3.28Å; R80-E131 IonicContact CZ-OE2 3.13Å; R80-E131 IonicContact NE-OE1 3.03Å; R80-E131 IonicContact NE-OE2 3.64Å; R80-E131 PolarHBondContact NE-OE2 3.1Å; R80-E131 IonicContact NH1-OE1 3.32Å; R80-E131 IonicContact NH1-OE2 3.22Å; R80-E131 PolarHBondContact NH1-OE2 3.38Å; R80-E131 IonicContact NH2-OE1 2.6Å; R80-E131 PolarHBondContact NH2-OE1 3.39Å; R80-E131 IonicContact NH2-OE2 2.65Å; R80-E131 PolarHBondContact NH2-OE2 3.03Å; A127-E131 VanDerWaalsContact O-CG 3.31Å; A127-E131 WeakPolarHBondContact O-CG 3.35Å; A127-E131 PolarHBondContact O-N 3.04Å; A127-E131 VanDerWaalsContact O-N 3.08Å; Y128-E131 PolarHBondContact O-N 3.43Å; L129-E131 VanDerWaalsContact C-N 3.28Å; L129-E131 PolarHBondContact O-N 3.37Å; E131-S197 VanDerWaalsContact OE2-CB 3.29Å; E131-S197 WeakPolarHBondContact OE2-CB 3.31Å; E131-S197 PolarHBondContact OE2-OG 3.31Å; E131-H199 HydrophobicContact CB-CB 4.46Å; E131-H199 HydrophobicContact CG-CB 4.28Å
132T86.4Confident83Confident2 Ų219.5 Ų19.51%0.01210%0.103CC..Hα-helixtrans-101.6-7.3-178.956.90000114.6Y128Y128-T132 HydrophobicContact CD1-CG2 4.3Å; Y128-T132 HydrophobicContact CD2-CG2 4.14Å; Y128-T132 HydrophobicContact CE1-CG2 3.84Å; Y128-T132 HydrophobicContact CE2-CG2 3.69Å; Y128-T132 HydrophobicContact CG-CG2 4.43Å; Y128-T132 PolarHBondContact O-N 3.49Å; Y128-T132 PolarHBondContact O-OG1 2.72Å
133T83.9Confident82.6Confident1 Ų120.4 Ų20.41%0.00611%0.11CC..SBendtrans-101.5131.4-179.5-51.80000112.1M14 L129 L137 R138 V141M14-T133 HydrophobicContact CE-CG2 3.7Å; L129-T133 WeakPolarHBondContact O-CB 3.29Å; L129-T133 PolarHBondContact O-N 2.74Å; L129-T133 VanDerWaalsContact O-N 3.09Å; L129-T133 PolarHBondContact O-OG1 2.8Å; T133-L137 HydrophobicContact CG2-CB 3.96Å; T133-R138 VanDerWaalsContact CG2-CA 3.45Å; T133-R138 HydrophobicContact CG2-CB 4.12Å; T133-R138 PolarHBondContact O-NE 3.28Å; T133-R138 VanDerWaalsContact O-NE 3.1Å; T133-R138 PolarHBondContact O-NH2 3.48Å; T133-V141 HydrophobicContact CG2-CB 3.93Å; T133-V141 HydrophobicContact CG2-CG1 4.45Å; T133-V141 HydrophobicContact CG2-CG2 3.72Å
134P81Confident82.7Confident2 Ų223 Ų231%0.01312%0.124CC..  trans-53.8147.2169.8-26.135.5000112.7M14 H136 L137 R138 I217 Y218M14-P134 HydrophobicContact CE-CG 4.17Å; M14-P134 VanDerWaalsContact SD-CD 3.53Å; M14-P134 HydrophobicContact SD-CG 3.79Å; P134-H136 PolarHBondContact O-N 3.42Å; P134-H136 VanDerWaalsContact O-N 3.12Å; P134-L137 PolarHBondContact O-N 2.94Å; P134-L137 VanDerWaalsContact O-N 3.14Å; P134-R138 WeakPolarHBondContact O-CB 3.44Å; P134-R138 PolarHBondContact O-N 2.71Å; P134-I217 HydrophobicContact CG-CG2 3.85Å; P134-Y218 HydrophobicContact CB-CE1 3.87Å; P134-Y218 HydrophobicContact CG-CD1 4.48Å; P134-Y218 HydrophobicContact CG-CE1 4.02Å
135T76.4Confident82.5Confident65 Ų6523.2 Ų23.240%0.39912%0.124SC..THydrogen-bonded Turntrans-53.5-36.4-174.347.50000114.5
136H74Confident82.2Confident81 Ų8123.8 Ų23.838%0.37513%0.128SC..THydrogen-bonded Turntrans-76.3-30-177.768.6-81.3000113.9T8 P134T8-H136 PolarHBondContact O-CE1 2.84Å; T8-H136 PolarHBondContact O-NE2 2.71Å; P134-H136 PolarHBondContact O-N 3.42Å; P134-H136 VanDerWaalsContact O-N 3.12Å
137L78.7Confident82.3Confident49 Ų4924.5 Ų24.526%0.25713%0.133SC..THydrogen-bonded Turntrans-97.9-11.1176.8-63.9174000113.5A10 M14 T133 P134 G139 F140 V141A10-L137 HydrophobicContact CB-CD1 3.93Å; M14-L137 HydrophobicContact CE-CB 4.23Å; M14-L137 HydrophobicContact CE-CD1 3.78Å; M14-L137 HydrophobicContact SD-CD1 4.18Å; T133-L137 HydrophobicContact CG2-CB 3.96Å; P134-L137 PolarHBondContact O-N 2.94Å; P134-L137 VanDerWaalsContact O-N 3.14Å; L137-G139 VanDerWaalsContact C-N 3.27Å; L137-G139 PolarHBondContact O-N 2.97Å; L137-F140 PolarHBondContact O-N 3.15Å; L137-V141 PolarHBondContact O-N 3.5Å
138R79.1Confident82.6Confident23 Ų2326 Ų269%0.08714%0.14CC..Hα-helixtrans-56-39.4-173.8-169.7176.7-62.9150.71.3113.4A130 T133 P134 L142A130-R138 PolarHBondContact O-NE 3.24Å; A130-R138 VanDerWaalsContact O-NE 3.12Å; T133-R138 VanDerWaalsContact CG2-CA 3.45Å; T133-R138 HydrophobicContact CG2-CB 4.12Å; T133-R138 PolarHBondContact O-NE 3.28Å; T133-R138 VanDerWaalsContact O-NE 3.1Å; T133-R138 PolarHBondContact O-NH2 3.48Å; P134-R138 WeakPolarHBondContact O-CB 3.44Å; P134-R138 PolarHBondContact O-N 2.71Å; R138-L142 HydrophobicContact CG-CD1 3.68Å; R138-L142 HydrophobicContact CG-CG 4.28Å; R138-L142 VanDerWaalsContact O-CB 3.27Å; R138-L142 WeakPolarHBondContact O-CB 3.37Å; R138-L142 WeakPolarHBondContact O-CD1 3.27Å; R138-L142 WeakPolarHBondContact O-CG 3.4Å; R138-L142 PolarHBondContact O-N 3.41Å
139G71.3Confident82.7Confident19 Ų1927.3 Ų27.320%0.19615%0.148CC..Hα-helixtrans-59.6-55.3177.900000111.8L137 L142 A143L137-G139 VanDerWaalsContact C-N 3.27Å; L137-G139 PolarHBondContact O-N 2.97Å; G139-L142 PolarHBondContact O-N 3.38Å; G139-A143 WeakPolarHBondContact O-CB 3.35Å; G139-A143 PolarHBondContact O-N 3.2Å
140F79.7Confident82.8Confident97 Ų9727.5 Ų27.543%0.42515%0.149SC..Hα-helixtrans-55.9-53.1176.8178.6-108.6000112.8L137 L142 A143 L144 E323L137-F140 PolarHBondContact O-N 3.15Å; F140-L142 PolarHBondContact O-N 3.29Å; F140-A143 CarbonylContact O-C 3.26Å; F140-A143 WeakPolarHBondContact O-CA 3.4Å; F140-A143 WeakPolarHBondContact O-CB 3.5Å; F140-A143 PolarHBondContact O-N 3.37Å; F140-L144 HydrophobicContact CD1-CD1 4.17Å; F140-L144 HydrophobicContact CE1-CD1 3.64Å; F140-L144 HydrophobicContact CE1-CD2 4.47Å; F140-L144 HydrophobicContact CE1-CG 4.18Å; F140-L144 HydrophobicContact CE2-CD2 4.16Å; F140-L144 HydrophobicContact CE2-CG 4.46Å; F140-L144 HydrophobicContact CZ-CD1 3.96Å; F140-L144 HydrophobicContact CZ-CD2 3.95Å; F140-L144 HydrophobicContact CZ-CG 4.15Å; F140-L144 PolarHBondContact O-N 3.26Å; F140-E323 WeakPolarHBondContact CA-OE2 3.48Å; F140-E323 HydrophobicContact CB-CG 4.21Å; F140-E323 WeakPolarHBondContact CB-OE2 3.26Å; F140-E323 HydrophobicContact CD2-CG 4.2Å; F140-E323 PolarHBondContact N-OE2 3.36Å
141V82.6Confident83.2Confident7 Ų729.3 Ų29.34%0.04216%0.158CC..Hα-helixtrans-63.2-41.1-176.9174.70000111.9T18 V22 L129 T133 L137 A143 L144T18-V141 HydrophobicContact CG2-CG1 3.84Å; T18-V141 HydrophobicContact CG2-CG2 4.32Å; V22-V141 HydrophobicContact CG2-CG1 4.27Å; L129-V141 HydrophobicContact CB-CG1 4.41Å; L129-V141 HydrophobicContact CD1-CG1 4.41Å; L129-V141 HydrophobicContact CD2-CG1 3.75Å; L129-V141 HydrophobicContact CG-CG1 4.41Å; T133-V141 HydrophobicContact CG2-CB 3.93Å; T133-V141 HydrophobicContact CG2-CG1 4.45Å; T133-V141 HydrophobicContact CG2-CG2 3.72Å; L137-V141 PolarHBondContact O-N 3.5Å; V141-A143 VanDerWaalsContact C-N 3.26Å; V141-A143 PolarHBondContact O-N 3.2Å; V141-L144 PolarHBondContact O-N 3.16Å
142L80.9Confident83.6Confident26 Ų2628 Ų2814%0.13615%0.152CC..Hα-helixtrans-66.6-29.2175-73.3170.1000112.7P126 L129 A130 R138 G139 F140 P146 N518P126-L142 WeakPolarHBondContact O-CD2 3.46Å; L129-L142 HydrophobicContact CB-CD2 3.77Å; A130-L142 HydrophobicContact CB-CD1 4.49Å; A130-L142 HydrophobicContact CB-CD2 4.34Å; R138-L142 HydrophobicContact CG-CD1 3.68Å; R138-L142 HydrophobicContact CG-CG 4.28Å; R138-L142 VanDerWaalsContact O-CB 3.27Å; R138-L142 WeakPolarHBondContact O-CB 3.37Å; R138-L142 WeakPolarHBondContact O-CD1 3.27Å; R138-L142 WeakPolarHBondContact O-CG 3.4Å; R138-L142 PolarHBondContact O-N 3.41Å; G139-L142 PolarHBondContact O-N 3.38Å; F140-L142 PolarHBondContact O-N 3.29Å; L142-P146 WeakPolarHBondContact O-CD 3.48Å; L142-N518 VanDerWaalsContact CD1-ND2 3.27Å; L142-N518 WeakPolarHBondContact CD1-ND2 3.28Å
143A79Confident83.9Confident18 Ų1828.5 Ų28.515%0.14915%0.154CC..Hα-helixtrans-75.6-26.7175.200000112.5G139 F140 V141 P146 V147G139-A143 WeakPolarHBondContact O-CB 3.35Å; G139-A143 PolarHBondContact O-N 3.2Å; F140-A143 CarbonylContact O-C 3.26Å; F140-A143 WeakPolarHBondContact O-CA 3.4Å; F140-A143 WeakPolarHBondContact O-CB 3.5Å; F140-A143 PolarHBondContact O-N 3.37Å; V141-A143 VanDerWaalsContact C-N 3.26Å; V141-A143 PolarHBondContact O-N 3.2Å; A143-P146 WeakPolarHBondContact O-CD 3.44Å; A143-P146 VanDerWaalsContact O-CG 3.24Å; A143-P146 WeakPolarHBondContact O-CG 3.16Å; A143-V147 WeakPolarHBondContact O-CG2 3.33Å
144L86Confident84.4Confident55 Ų5531.7 Ų31.729%0.28817%0.166SC..Hα-helixtrans-65.7-37.3175.4-69177.8000112.6V22 F140 V141 V147 L148V22-L144 HydrophobicContact CG1-CB 3.78Å; V22-L144 HydrophobicContact CG2-CB 4.19Å; F140-L144 HydrophobicContact CD1-CD1 4.17Å; F140-L144 HydrophobicContact CE1-CD1 3.64Å; F140-L144 HydrophobicContact CE1-CD2 4.47Å; F140-L144 HydrophobicContact CE1-CG 4.18Å; F140-L144 HydrophobicContact CE2-CD2 4.16Å; F140-L144 HydrophobicContact CE2-CG 4.46Å; F140-L144 HydrophobicContact CZ-CD1 3.96Å; F140-L144 HydrophobicContact CZ-CD2 3.95Å; F140-L144 HydrophobicContact CZ-CG 4.15Å; F140-L144 PolarHBondContact O-N 3.26Å; V141-L144 PolarHBondContact O-N 3.16Å; L144-V147 WeakPolarHBondContact O-CB 3.46Å; L144-V147 PolarHBondContact O-N 2.97Å; L144-L148 VanDerWaalsContact O-CD2 3.27Å; L144-L148 WeakPolarHBondContact O-CD2 3.14Å; L144-L148 PolarHBondContact O-N 3.46Å
145F86.2Confident85.1Confident4 Ų433.5 Ų33.52%0.01818%0.177CC..Hα-helixtrans-51.3-55179.6178.1-107000113.7G25 I28 V125 P126 L129 V147 L148 V149 H522G25-F145 VanDerWaalsContact CA-CE2 3.44Å; I28-F145 HydrophobicContact CD1-CE2 4.37Å; I28-F145 HydrophobicContact CD1-CZ 3.81Å; V125-F145 HydrophobicContact CB-CD2 4.48Å; V125-F145 HydrophobicContact CB-CE2 3.93Å; V125-F145 HydrophobicContact CB-CZ 4.33Å; V125-F145 HydrophobicContact CG1-CD2 3.64Å; V125-F145 HydrophobicContact CG1-CE2 3.54Å; V125-F145 HydrophobicContact CG1-CZ 4.34Å; P126-F145 HydrophobicContact CG-CD1 3.9Å; P126-F145 HydrophobicContact CG-CE1 3.74Å; P126-F145 HydrophobicContact CG-CZ 4.28Å; L129-F145 HydrophobicContact CD1-CB 4.01Å; F145-V147 VanDerWaalsContact C-N 3.33Å; F145-V147 PolarHBondContact O-N 3.4Å; F145-L148 PolarHBondContact O-N 3.06Å; F145-V149 HydrophobicContact CE1-CG2 4.3Å; F145-V149 HydrophobicContact CZ-CG2 4.37Å; F145-V149 WeakPolarHBondContact O-CG2 3.09Å; F145-V149 PolarHBondContact O-N 3.49Å; F145-H522 AromaticContact CE1-NE2 3.71Å
146P83.7Confident86Confident12 Ų1230.4 Ų30.48%0.07816%0.158CC..Hα-helixtrans-69-26.5176.226.9-35.5000114.3L142 A143 L148 V149 T150 R508L142-P146 WeakPolarHBondContact O-CD 3.48Å; A143-P146 WeakPolarHBondContact O-CD 3.44Å; A143-P146 VanDerWaalsContact O-CG 3.24Å; A143-P146 WeakPolarHBondContact O-CG 3.16Å; P146-L148 VanDerWaalsContact C-N 3.29Å; P146-V149 WeakPolarHBondContact O-CB 3.25Å; P146-V149 PolarHBondContact O-N 2.83Å; P146-T150 PolarHBondContact O-N 3.33Å; P146-T150 PolarHBondContact O-OG1 3.47Å; P146-R508 VanDerWaalsContact CG-NH1 3.27Å
147V87.3Confident87Confident16 Ų1627.2 Ų27.210%0.09715%0.147CC..Hα-helixtrans-60.4-44.4171172.20000109.4A143 L144 F145 T150 L151 F312 T315 A316A143-V147 WeakPolarHBondContact O-CG2 3.33Å; L144-V147 WeakPolarHBondContact O-CB 3.46Å; L144-V147 PolarHBondContact O-N 2.97Å; F145-V147 VanDerWaalsContact C-N 3.33Å; F145-V147 PolarHBondContact O-N 3.4Å; V147-T150 WeakPolarHBondContact CA-OG1 2.93Å; V147-T150 PolarHBondContact O-N 2.9Å; V147-T150 PolarHBondContact O-OG1 3.47Å; V147-L151 WeakPolarHBondContact O-CB 3.34Å; V147-L151 PolarHBondContact O-N 2.72Å; V147-F312 HydrophobicContact CG1-CD2 4.31Å; V147-F312 HydrophobicContact CG1-CE2 3.71Å; V147-T315 HydrophobicContact CG2-CG2 3.9Å; V147-A316 HydrophobicContact CG1-CB 4.27Å
148L91.5Very high87.8Confident36 Ų3627.4 Ų27.419%0.18815%0.148CC..Hα-helixtrans-67.7-34.1175.8-86.7-58.4000112.8V22 L144 F145 P146 L151 G152V22-L148 HydrophobicContact CG1-CB 4.26Å; V22-L148 HydrophobicContact CG1-CD2 3.49Å; V22-L148 VanDerWaalsContact CG1-CD2 3.49Å; V22-L148 HydrophobicContact CG1-CG 3.71Å; L144-L148 VanDerWaalsContact O-CD2 3.27Å; L144-L148 WeakPolarHBondContact O-CD2 3.14Å; L144-L148 PolarHBondContact O-N 3.46Å; F145-L148 PolarHBondContact O-N 3.06Å; P146-L148 VanDerWaalsContact C-N 3.29Å; L148-L151 HydrophobicContact CD1-CD2 3.75Å; L148-L151 PolarHBondContact O-N 3.01Å; L148-G152 PolarHBondContact O-N 2.99Å
149V90.7Very high88.5Confident27 Ų2728.8 Ų28.816%0.16416%0.156CC..Hα-helixtrans-59.3-49169.3176.10000110.3G25 G29 F145 P146 L151 G152 Q153G25-V149 VanDerWaalsContact O-CA 3.31Å; G25-V149 WeakPolarHBondContact O-CA 3.37Å; G25-V149 WeakPolarHBondContact O-CG2 3Å; G29-V149 WeakPolarHBondContact CA-O 3.09Å; F145-V149 HydrophobicContact CE1-CG2 4.3Å; F145-V149 HydrophobicContact CZ-CG2 4.37Å; F145-V149 WeakPolarHBondContact O-CG2 3.09Å; F145-V149 PolarHBondContact O-N 3.49Å; P146-V149 WeakPolarHBondContact O-CB 3.25Å; P146-V149 PolarHBondContact O-N 2.83Å; V149-L151 VanDerWaalsContact C-N 3.31Å; V149-L151 PolarHBondContact O-N 3.43Å; V149-G152 PolarHBondContact O-N 3.27Å; V149-Q153 WeakPolarHBondContact O-CG 3.26Å; V149-Q153 PolarHBondContact O-N 2.83Å
150T89.1Confident89.6Confident4 Ų428 Ų283%0.02515%0.148CC..Hα-helixtrans-68-30.5178.7530000113.2P146 V147 Q153 W154 T315P146-T150 PolarHBondContact O-N 3.33Å; P146-T150 PolarHBondContact O-OG1 3.47Å; V147-T150 WeakPolarHBondContact CA-OG1 2.93Å; V147-T150 PolarHBondContact O-N 2.9Å; V147-T150 PolarHBondContact O-OG1 3.47Å; T150-Q153 WeakPolarHBondContact O-CB 3.18Å; T150-Q153 PolarHBondContact O-N 3.2Å; T150-W154 PolarHBondContact O-N 2.93Å; T150-T315 HydrophobicContact CG2-CG2 4.25Å
151L94.2Very high90.3Very high44 Ų4423.4 Ų23.423%0.2313%0.128CC..Hα-helixtrans-64-45.1171.8-177.561.7000110.8F26 V147 L148 V149 Q153 W154 V155 F312F26-L151 HydrophobicContact CD2-CD2 4.35Å; F26-L151 HydrophobicContact CD2-CG 4.21Å; F26-L151 HydrophobicContact CE2-CG 4.15Å; V147-L151 WeakPolarHBondContact O-CB 3.34Å; V147-L151 PolarHBondContact O-N 2.72Å; L148-L151 HydrophobicContact CD1-CD2 3.75Å; L148-L151 PolarHBondContact O-N 3.01Å; V149-L151 VanDerWaalsContact C-N 3.31Å; V149-L151 PolarHBondContact O-N 3.43Å; L151-Q153 VanDerWaalsContact C-N 3.28Å; L151-Q153 PolarHBondContact O-N 2.61Å; L151-W154 HydrophobicContact CD1-CE3 3.91Å; L151-W154 HydrophobicContact CD1-CZ3 4.32Å; L151-W154 PolarHBondContact O-N 3.11Å; L151-V155 HydrophobicContact CD1-CG2 4.17Å; L151-V155 HydrophobicContact CG-CG2 4.41Å; L151-V155 WeakPolarHBondContact O-CG2 3.41Å; L151-V155 PolarHBondContact O-N 3.34Å; L151-F312 HydrophobicContact CB-CD2 3.81Å; L151-F312 HydrophobicContact CB-CE2 3.74Å; L151-F312 HydrophobicContact CD1-CD2 4.21Å; L151-F312 HydrophobicContact CD1-CE1 4.26Å; L151-F312 HydrophobicContact CD1-CE2 3.89Å; L151-F312 HydrophobicContact CD1-CZ 3.91Å; L151-F312 HydrophobicContact CG-CE2 4.28Å
152G94.4Very high90.8Very high0 Ų025.3 Ų25.30%014%0.144CC..Hα-helixtrans-58.4-40.2174.100000112.3Y30 L148 V149 S156Y30-G152 WeakPolarHBondContact CA-O 3.43Å; L148-G152 PolarHBondContact O-N 2.99Å; V149-G152 PolarHBondContact O-N 3.27Å; G152-S156 WeakPolarHBondContact O-CB 3.17Å; G152-S156 PolarHBondContact O-N 2.99Å
153Q92.5Very high91.4Very high13 Ų1325.3 Ų25.36%0.06115%0.145CC..Hα-helixtrans-62.6-43.9175.4-67.3-179-42.300112.5G29 A33 V149 T150 L151 S156 G157 N311G29-Q153 VanDerWaalsContact O-CG 3.31Å; G29-Q153 WeakPolarHBondContact O-CG 3.48Å; A33-Q153 HydrophobicContact CB-CB 3.83Å; A33-Q153 HydrophobicContact CB-CG 3.96Å; V149-Q153 WeakPolarHBondContact O-CG 3.26Å; V149-Q153 PolarHBondContact O-N 2.83Å; T150-Q153 WeakPolarHBondContact O-CB 3.18Å; T150-Q153 PolarHBondContact O-N 3.2Å; L151-Q153 VanDerWaalsContact C-N 3.28Å; L151-Q153 PolarHBondContact O-N 2.61Å; Q153-S156 WeakPolarHBondContact O-CB 3.02Å; Q153-G157 PolarHBondContact O-N 3.21Å; Q153-G157 VanDerWaalsContact O-N 3.14Å; Q153-N311 PolarHBondContact OE1-ND2 2.87Å
154W94.6Very high91.9Very high67 Ų6725.4 Ų25.425%0.25414%0.144SC..Hα-helixtrans-68-48.8179.2176.830.3000112.4T150 L151 S156 G157 I158 M309 F312T150-W154 PolarHBondContact O-N 2.93Å; L151-W154 HydrophobicContact CD1-CE3 3.91Å; L151-W154 HydrophobicContact CD1-CZ3 4.32Å; L151-W154 PolarHBondContact O-N 3.11Å; W154-S156 PolarHBondContact O-N 3.36Å; W154-G157 WeakPolarHBondContact O-CA 3.26Å; W154-G157 PolarHBondContact O-N 3.45Å; W154-I158 HydrophobicContact CD2-CD1 4.31Å; W154-I158 HydrophobicContact CG-CD1 4.44Å; W154-I158 HydrophobicContact CZ2-CD1 4.11Å; W154-I158 PolarHBondContact O-N 3Å; W154-M309 HydrophobicContact CD2-CB 4.18Å; W154-M309 HydrophobicContact CD2-CG 4.23Å; W154-M309 HydrophobicContact CG-CB 4.14Å; W154-M309 HydrophobicContact CH2-CG 4.41Å; W154-M309 HydrophobicContact CZ2-CB 4.42Å; W154-M309 HydrophobicContact CZ2-CG 3.8Å; W154-M309 HydrophobicContact CZ2-SD 4.17Å; W154-F312 HydrophobicContact CB-CB 4.41Å; W154-F312 HydrophobicContact CE3-CB 4.37Å; W154-F312 AromaticContact CE3-CD1 3.46Å; W154-F312 HydrophobicContact CE3-CD1 3.46Å; W154-F312 VanDerWaalsContact CE3-CD1 3.46Å; W154-F312 AromaticContact CE3-CE1 3.96Å; W154-F312 HydrophobicContact CE3-CE1 3.96Å; W154-F312 HydrophobicContact CE3-CG 4.02Å; W154-F312 AromaticContact CZ3-CD1 3.62Å; W154-F312 HydrophobicContact CZ3-CD1 3.62Å; W154-F312 AromaticContact CZ3-CE1 3.73Å; W154-F312 HydrophobicContact CZ3-CE1 3.73Å
155V95.8Very high92Very high40 Ų4029.9 Ų29.924%0.24216%0.158CC..Hα-helixtrans-61.1-36.1177.7172.50000111.1F26 L151 I158 L159F26-V155 HydrophobicContact CE2-CB 4.02Å; F26-V155 HydrophobicContact CE2-CG1 4.37Å; F26-V155 HydrophobicContact CE2-CG2 3.98Å; F26-V155 HydrophobicContact CZ-CB 3.83Å; F26-V155 HydrophobicContact CZ-CG1 3.77Å; F26-V155 HydrophobicContact CZ-CG2 4.23Å; L151-V155 HydrophobicContact CD1-CG2 4.17Å; L151-V155 HydrophobicContact CG-CG2 4.41Å; L151-V155 WeakPolarHBondContact O-CG2 3.41Å; L151-V155 PolarHBondContact O-N 3.34Å; V155-I158 PolarHBondContact O-N 2.77Å; V155-L159 HydrophobicContact CG1-CD1 3.98Å; V155-L159 HydrophobicContact CG1-CG 4.31Å; V155-L159 WeakPolarHBondContact O-CB 3.37Å; V155-L159 WeakPolarHBondContact O-CG 3.22Å; V155-L159 PolarHBondContact O-N 2.71Å
156S95.5Very high92Very high0 Ų032.5 Ų32.50%017%0.172CC..Hα-helixtrans-60.2-43171.7169.40000112.9Y30 I34 G152 Q153 W154 L159 A160Y30-S156 PolarHBondContact O-OG 3.2Å; I34-S156 WeakPolarHBondContact CA-OG 3.38Å; I34-S156 VanDerWaalsContact CB-OG 3.24Å; I34-S156 WeakPolarHBondContact CB-OG 3.38Å; I34-S156 WeakPolarHBondContact CD1-OG 3.36Å; I34-S156 PolarHBondContact N-OG 2.96Å; G152-S156 WeakPolarHBondContact O-CB 3.17Å; G152-S156 PolarHBondContact O-N 2.99Å; Q153-S156 WeakPolarHBondContact O-CB 3.02Å; W154-S156 PolarHBondContact O-N 3.36Å; S156-L159 PolarHBondContact O-N 3.41Å; S156-A160 WeakPolarHBondContact O-CB 3.42Å; S156-A160 PolarHBondContact O-N 2.85Å
157G94Very high91.6Very high14 Ų1440.7 Ų40.714%0.14421%0.209CC..Hα-helixtrans-62.9-41.9174.500000112.8Q153 W154 A161Q153-G157 PolarHBondContact O-N 3.21Å; Q153-G157 VanDerWaalsContact O-N 3.14Å; W154-G157 WeakPolarHBondContact O-CA 3.26Å; W154-G157 PolarHBondContact O-N 3.45Å; G157-A161 WeakPolarHBondContact O-CB 3.02Å; G157-A161 PolarHBondContact O-N 3.25Å
158I95.4Very high91.2Very high54 Ų5443.4 Ų43.428%0.27722%0.223SC..Hα-helixtrans-61.6-48.6174.8-65168.5000110.6W154 V155 A161 A162 W302 S305W154-I158 HydrophobicContact CD2-CD1 4.31Å; W154-I158 HydrophobicContact CG-CD1 4.44Å; W154-I158 HydrophobicContact CZ2-CD1 4.11Å; W154-I158 PolarHBondContact O-N 3Å; V155-I158 PolarHBondContact O-N 2.77Å; I158-A161 PolarHBondContact O-N 3.21Å; I158-A162 VanDerWaalsContact O-CB 3.29Å; I158-A162 WeakPolarHBondContact O-CB 3.33Å; I158-A162 PolarHBondContact O-N 2.92Å; I158-W302 HydrophobicContact CG2-CH2 4.29Å; I158-W302 HydrophobicContact CG2-CZ3 4.48Å; I158-S305 PolarHBondContact N-OG 2.74Å
159L95.1Very high90.5Very high51 Ų5144.6 Ų44.627%0.26723%0.234SC..Hα-helixtrans-67.6-36.5-178.3-75.1177.2000112.2Y30 V155 S156 L163 L179Y30-L159 HydrophobicContact CE2-CB 4.48Å; Y30-L159 HydrophobicContact CE2-CD1 3.7Å; V155-L159 HydrophobicContact CG1-CD1 3.98Å; V155-L159 HydrophobicContact CG1-CG 4.31Å; V155-L159 WeakPolarHBondContact O-CB 3.37Å; V155-L159 WeakPolarHBondContact O-CG 3.22Å; V155-L159 PolarHBondContact O-N 2.71Å; S156-L159 PolarHBondContact O-N 3.41Å; L159-L163 VanDerWaalsContact O-CB 3.26Å; L159-L163 WeakPolarHBondContact O-CB 3.45Å; L159-L163 VanDerWaalsContact O-CG 3.26Å; L159-L163 WeakPolarHBondContact O-CG 3.4Å; L159-L163 PolarHBondContact O-N 3.29Å; L159-L179 HydrophobicContact CD1-CD1 4.08Å; L159-L179 HydrophobicContact CD2-CD1 4.06Å
160A93.9Very high90Very high3 Ų346.3 Ų46.33%0.02524%0.242CC..Hα-helixtrans-59.2-50.7171.300000111.1I34 S156 A162 L163 S164 M176 M301I34-A160 HydrophobicContact CD1-CB 4.01Å; S156-A160 WeakPolarHBondContact O-CB 3.42Å; S156-A160 PolarHBondContact O-N 2.85Å; A160-A162 PolarHBondContact O-N 2.97Å; A160-L163 PolarHBondContact O-N 3.39Å; A160-S164 WeakPolarHBondContact O-CB 3.42Å; A160-S164 PolarHBondContact O-N 2.86Å; A160-M176 HydrophobicContact CB-SD 4.06Å; A160-M176 WeakPolarHBondContact O-CE 3.48Å; A160-M301 HydrophobicContact CB-SD 4.08Å
161A93.4Very high90Very high0 Ų050 Ų500%026%0.262CS..Hα-helixtrans-64.1-43.3179.600000112.3G157 I158 S164 Y165 M301 W302G157-A161 WeakPolarHBondContact O-CB 3.02Å; G157-A161 PolarHBondContact O-N 3.25Å; I158-A161 PolarHBondContact O-N 3.21Å; A161-S164 WeakPolarHBondContact O-CB 3.18Å; A161-S164 PolarHBondContact O-N 3.22Å; A161-S164 PolarHBondContact O-OG 2.91Å; A161-Y165 WeakPolarHBondContact O-CD2 3.49Å; A161-Y165 WeakPolarHBondContact O-CE2 3.48Å; A161-M301 HydrophobicContact CB-CB 3.83Å; A161-W302 HydrophobicContact CB-CB 4.43Å; A161-W302 HydrophobicContact CB-CD2 3.61Å; A161-W302 HydrophobicContact CB-CE3 4.19Å; A161-W302 HydrophobicContact CB-CG 3.71Å; A161-W302 HydrophobicContact CB-CZ2 4.26Å
162A94Very high89.7Confident47 Ų4748 Ų4839%0.38825%0.251SS..Hα-helixtrans-65.8-41.4179.400000112.7I158 A160 S164I158-A162 VanDerWaalsContact O-CB 3.29Å; I158-A162 WeakPolarHBondContact O-CB 3.33Å; I158-A162 PolarHBondContact O-N 2.92Å; A160-A162 PolarHBondContact O-N 2.97Å; A162-S164 VanDerWaalsContact C-N 3.3Å
163L92.9Very high89.6Confident27 Ų2748 Ų4814%0.14125%0.251CS..Hα-helixtrans-76.9-17.4178.1-67.9174.9000113L159 A160 Y165 I166 S172 L175 M176 L179L159-L163 VanDerWaalsContact O-CB 3.26Å; L159-L163 WeakPolarHBondContact O-CB 3.45Å; L159-L163 VanDerWaalsContact O-CG 3.26Å; L159-L163 WeakPolarHBondContact O-CG 3.4Å; L159-L163 PolarHBondContact O-N 3.29Å; A160-L163 PolarHBondContact O-N 3.39Å; L163-Y165 PolarHBondContact O-N 3.42Å; L163-I166 HydrophobicContact CB-CD1 4.39Å; L163-I166 HydrophobicContact CD2-CD1 3.68Å; L163-I166 WeakPolarHBondContact O-CB 3.18Å; L163-I166 WeakPolarHBondContact O-CG1 3.38Å; L163-I166 PolarHBondContact O-N 2.84Å; L163-I166 VanDerWaalsContact O-N 3.12Å; L163-S172 PolarHBondContact O-OG 3.23Å; L163-L175 HydrophobicContact CD1-CB 3.93Å; L163-L175 HydrophobicContact CD2-CB 4.42Å; L163-L175 HydrophobicContact CD2-CD1 4.48Å; L163-M176 HydrophobicContact CB-CE 4.16Å; L163-M176 HydrophobicContact CB-CG 3.91Å; L163-M176 HydrophobicContact CD1-CB 4.33Å; L163-M176 HydrophobicContact CD1-CG 3.84Å; L163-L179 HydrophobicContact CD1-CD1 3.69Å; L163-L179 HydrophobicContact CD1-CG 4.48Å
164S89.1Confident89.7Confident20 Ų2049.4 Ų49.414%0.1426%0.256CS..THydrogen-bonded Turntrans-65.4-18.3176.676.50000113.8A160 A161 A162 I166 S298A160-S164 WeakPolarHBondContact O-CB 3.42Å; A160-S164 PolarHBondContact O-N 2.86Å; A161-S164 WeakPolarHBondContact O-CB 3.18Å; A161-S164 PolarHBondContact O-N 3.22Å; A161-S164 PolarHBondContact O-OG 2.91Å; A162-S164 VanDerWaalsContact C-N 3.3Å; S164-I166 PolarHBondContact O-N 3.32Å; S164-S298 VanDerWaalsContact OG-CA 3.31Å; S164-S298 WeakPolarHBondContact OG-CA 3.47Å; S164-S298 WeakPolarHBondContact OG-CB 3.37Å; S164-S298 PolarHBondContact OG-OG 3.28Å
165Y88.9Confident89.6Confident149 Ų14949.7 Ų49.758%0.58426%0.262SS*.THydrogen-bonded Turntrans-76-8.4174.6-67.1-77.5000113.5A161 L163 Q167 W302A161-Y165 WeakPolarHBondContact O-CD2 3.49Å; A161-Y165 WeakPolarHBondContact O-CE2 3.48Å; L163-Y165 PolarHBondContact O-N 3.42Å; Y165-Q167 PolarHBondContact O-N 3.35Å; Y165-W302 AromaticContact CE2-NE1 3.61Å; Y165-W302 AromaticContact CZ-NE1 3.87Å; Y165-W302 PolarHBondContact OH-NE1 3.45Å
166I87.2Confident89.5Confident59 Ų5947.8 Ų47.830%0.30325%0.25SS..  trans-70.5119.3173.7-62.4173.6000108.1L163 S164 D168 L175L163-I166 HydrophobicContact CB-CD1 4.39Å; L163-I166 HydrophobicContact CD2-CD1 3.68Å; L163-I166 WeakPolarHBondContact O-CB 3.18Å; L163-I166 WeakPolarHBondContact O-CG1 3.38Å; L163-I166 PolarHBondContact O-N 2.84Å; L163-I166 VanDerWaalsContact O-N 3.12Å; S164-I166 PolarHBondContact O-N 3.32Å; I166-D168 VanDerWaalsContact C-N 3.27Å; I166-D168 PolarHBondContact O-N 3.02Å; I166-L175 HydrophobicContact CD1-CD1 3.79Å
167Q74.4Confident89.4Confident183 Ų18347.8 Ų47.886%0.85525%0.25SS*.SBendtrans-60.7-34.3-175.3-169.9172.8200112.9Y165 S169Y165-Q167 PolarHBondContact O-N 3.35Å; Q167-S169 PolarHBondContact O-N 3.03Å; Q167-S169 VanDerWaalsContact O-N 3.14Å
168D79.7Confident89.4Confident74 Ų7448.4 Ų48.440%0.39626%0.256SS..  trans-77.5100.6172.5-170.6-14.9000110.5I166 N170 I171 S172I166-D168 VanDerWaalsContact C-N 3.27Å; I166-D168 PolarHBondContact O-N 3.02Å; D168-N170 PolarHBondContact O-N 3.01Å; D168-N170 WeakPolarHBondContact OD1-CA 3.46Å; D168-N170 WeakPolarHBondContact OD1-CB 3.5Å; D168-N170 PolarHBondContact OD1-N 3.08Å; D168-I171 HydrophobicContact CB-CB 4.2Å; D168-I171 HydrophobicContact CB-CD1 4.03Å; D168-I171 HydrophobicContact CB-CG1 4.21Å; D168-I171 PolarHBondContact O-N 3.22Å; D168-I171 PolarHBondContact OD1-N 3.26Å; D168-I171 WeakPolarHBondContact OD2-CD1 3.43Å; D168-I171 WeakPolarHBondContact OD2-CG1 3.49Å; D168-S172 WeakPolarHBondContact O-CB 3.31Å; D168-S172 PolarHBondContact O-N 3.11Å
169S75.5Confident89.4Confident61 Ų6148.5 Ų48.543%0.42726%0.257SS..Hα-helixtrans-56.5-31.6175.867.70000112.3Q167Q167-S169 PolarHBondContact O-N 3.03Å; Q167-S169 VanDerWaalsContact O-N 3.14Å
170N80.8Confident89.2Confident62 Ų6246.1 Ų46.133%0.33224%0.244SC..Hα-helixtrans-66.7-44.9179.3-166-18.4000111.6K45 D168 W173 R174K45-N170 PolarHBondContact NZ-ND2 2.89Å; K45-N170 PolarHBondContact NZ-OD1 3.41Å; D168-N170 PolarHBondContact O-N 3.01Å; D168-N170 WeakPolarHBondContact OD1-CA 3.46Å; D168-N170 WeakPolarHBondContact OD1-CB 3.5Å; D168-N170 PolarHBondContact OD1-N 3.08Å; N170-W173 PolarHBondContact O-NE1 3.39Å; N170-R174 WeakPolarHBondContact O-CD 3.45Å; N170-R174 VanDerWaalsContact O-CG 3.27Å; N170-R174 WeakPolarHBondContact O-CG 3.21Å; N170-R174 PolarHBondContact OD1-NE 2.97Å
171I88.2Confident89.2Confident83 Ų8346.1 Ų46.143%0.42625%0.245SC..Hα-helixtrans-72.8-39.8179-64.8172.3000110.3D168 R174 L175D168-I171 HydrophobicContact CB-CB 4.2Å; D168-I171 HydrophobicContact CB-CD1 4.03Å; D168-I171 HydrophobicContact CB-CG1 4.21Å; D168-I171 PolarHBondContact O-N 3.22Å; D168-I171 PolarHBondContact OD1-N 3.26Å; D168-I171 WeakPolarHBondContact OD2-CD1 3.43Å; D168-I171 WeakPolarHBondContact OD2-CG1 3.49Å; I171-R174 PolarHBondContact O-N 3.3Å; I171-L175 HydrophobicContact CG2-CD1 3.55Å; I171-L175 HydrophobicContact CG2-CG 3.89Å; I171-L175 WeakPolarHBondContact O-CB 3.09Å; I171-L175 WeakPolarHBondContact O-CG 3.35Å; I171-L175 PolarHBondContact O-N 3.28Å
172S89.4Confident89.2Confident1 Ų149.8 Ų49.81%0.00727%0.267CS..Hα-helixtrans-54.5-59.4-174.4-177.10000113L163 D168 R174 L175 M176L163-S172 PolarHBondContact O-OG 3.23Å; D168-S172 WeakPolarHBondContact O-CB 3.31Å; D168-S172 PolarHBondContact O-N 3.11Å; S172-R174 VanDerWaalsContact C-N 3.32Å; S172-R174 PolarHBondContact O-N 3.34Å; S172-L175 PolarHBondContact O-N 3.33Å; S172-M176 WeakPolarHBondContact O-CG 3.38Å; S172-M176 PolarHBondContact O-N 3.38Å; S172-M176 VanDerWaalsContact OG-CE 3.32Å; S172-M176 WeakPolarHBondContact OG-CE 3.46Å
173W91.7Very high89.1Confident0 Ų048.9 Ų48.90%026%0.257CS..Hα-helixtrans-69.1-29.9-177.272.4-99.2000112.8I41 L42 Y46 M98 A101 N170 M176 I177I41-W173 HydrophobicContact CB-CB 4.39Å; I41-W173 HydrophobicContact CD1-CB 4.23Å; I41-W173 HydrophobicContact CG2-CB 4.31Å; I41-W173 HydrophobicContact CG2-CG 4.39Å; L42-W173 HydrophobicContact CD2-CD2 3.81Å; L42-W173 HydrophobicContact CD2-CE3 3.91Å; L42-W173 HydrophobicContact CD2-CG 4.26Å; L42-W173 HydrophobicContact CD2-CH2 4.43Å; L42-W173 HydrophobicContact CD2-CZ2 4.34Å; L42-W173 HydrophobicContact CD2-CZ3 4.22Å; Y46-W173 HydrophobicContact CE2-CZ2 4.27Å; M98-W173 WeakPolarHBondContact O-CZ3 3.37Å; A101-W173 HydrophobicContact CB-CH2 4.43Å; A101-W173 WeakPolarHBondContact O-CH2 3.49Å; N170-W173 PolarHBondContact O-NE1 3.39Å; W173-M176 WeakPolarHBondContact O-CB 3.28Å; W173-M176 PolarHBondContact O-N 2.86Å; W173-I177 HydrophobicContact CE3-CD1 3.74Å; W173-I177 HydrophobicContact CZ3-CD1 3.93Å; W173-I177 WeakPolarHBondContact O-CG1 3.3Å; W173-I177 PolarHBondContact O-N 3.44Å
174R93.8Very high89.2Confident43 Ų4347.6 Ų47.616%0.16225%0.25CS..Hα-helixtrans-65.7-41.6175-70.6-178.6-172.2-89.9-4.2110.9A99 A100 A101 D102 N170 I171 S172 I177 G178A99-R174 WeakPolarHBondContact O-CD 3.44Å; A99-R174 WeakPolarHBondContact O-CG 3.24Å; A99-R174 PolarHBondContact O-NH1 3.17Å; A100-R174 PolarHBondContact O-NH1 3.4Å; A101-R174 VanDerWaalsContact O-CZ 3.27Å; A101-R174 PolarHBondContact O-NH1 3.49Å; A101-R174 VanDerWaalsContact O-NH1 3.1Å; A101-R174 PolarHBondContact O-NH2 3.44Å; D102-R174 IonicContact OD1-CZ 3.94Å; D102-R174 IonicContact OD1-NH1 3.34Å; D102-R174 IonicContact OD1-NH2 3.4Å; D102-R174 PolarHBondContact OD1-NH2 3.46Å; N170-R174 WeakPolarHBondContact O-CD 3.45Å; N170-R174 VanDerWaalsContact O-CG 3.27Å; N170-R174 WeakPolarHBondContact O-CG 3.21Å; N170-R174 PolarHBondContact OD1-NE 2.97Å; I171-R174 PolarHBondContact O-N 3.3Å; S172-R174 VanDerWaalsContact C-N 3.32Å; S172-R174 PolarHBondContact O-N 3.34Å; R174-I177 PolarHBondContact O-N 2.9Å; R174-G178 WeakPolarHBondContact O-CA 3.5Å; R174-G178 PolarHBondContact O-N 2.89Å
175L93.6Very high89.5Confident73 Ų7350 Ų5038%0.38226%0.261SS..Hα-helixtrans-66.7-39.6173.2-70.2179.1000111.7L163 I166 I171 S172 I177 G178 L179L163-L175 HydrophobicContact CD1-CB 3.93Å; L163-L175 HydrophobicContact CD2-CB 4.42Å; L163-L175 HydrophobicContact CD2-CD1 4.48Å; I166-L175 HydrophobicContact CD1-CD1 3.79Å; I171-L175 HydrophobicContact CG2-CD1 3.55Å; I171-L175 HydrophobicContact CG2-CG 3.89Å; I171-L175 WeakPolarHBondContact O-CB 3.09Å; I171-L175 WeakPolarHBondContact O-CG 3.35Å; I171-L175 PolarHBondContact O-N 3.28Å; S172-L175 PolarHBondContact O-N 3.33Å; L175-I177 VanDerWaalsContact C-N 3.32Å; L175-I177 PolarHBondContact O-N 3.32Å; L175-G178 PolarHBondContact O-N 3Å; L175-L179 WeakPolarHBondContact O-CB 3.28Å; L175-L179 WeakPolarHBondContact O-CG 3.2Å; L175-L179 PolarHBondContact O-N 3.34Å
176M94Very high89.7Confident0 Ų046.7 Ų46.70%026%0.256CS..Hα-helixtrans-54.6-49.3175.3-71.8-177.4-163.100111.1Y30 I34 A38 I41 A160 L163 S172 W173 M301Y30-M176 WeakPolarHBondContact CE1-O 3.27Å; Y30-M176 PolarHBondContact OH-O 3Å; I34-M176 HydrophobicContact CD1-CB 3.83Å; I34-M176 HydrophobicContact CD1-CG 4.46Å; I34-M176 HydrophobicContact CG1-CB 4.07Å; I34-M176 WeakPolarHBondContact CG1-O 3.36Å; A38-M176 HydrophobicContact CB-SD 4.5Å; I41-M176 HydrophobicContact CD1-CE 3.62Å; I41-M176 HydrophobicContact CD1-SD 4.38Å; A160-M176 HydrophobicContact CB-SD 4.06Å; A160-M176 WeakPolarHBondContact O-CE 3.48Å; L163-M176 HydrophobicContact CB-CE 4.16Å; L163-M176 HydrophobicContact CB-CG 3.91Å; L163-M176 HydrophobicContact CD1-CB 4.33Å; L163-M176 HydrophobicContact CD1-CG 3.84Å; S172-M176 WeakPolarHBondContact O-CG 3.38Å; S172-M176 PolarHBondContact O-N 3.38Å; S172-M176 VanDerWaalsContact OG-CE 3.32Å; S172-M176 WeakPolarHBondContact OG-CE 3.46Å; W173-M176 WeakPolarHBondContact O-CB 3.28Å; W173-M176 PolarHBondContact O-N 2.86Å; M176-M301 HydrophobicContact CE-CE 4.28Å; M176-M301 HydrophobicContact CE-SD 4.12Å
177I93.7Very high90Very high0 Ų044 Ų440%024%0.242CC..Hα-helixtrans-72.2-44.8178.2-63.9178.5000111.1T95 M98 L107 W173 R174 L175 L179 G180T95-I177 HydrophobicContact CG2-CG2 4.19Å; T95-I177 VanDerWaalsContact CG2-O 3.32Å; T95-I177 WeakPolarHBondContact CG2-O 3.43Å; M98-I177 HydrophobicContact CB-CD1 4.28Å; M98-I177 HydrophobicContact CB-CG2 3.71Å; M98-I177 HydrophobicContact CE-CG2 3.87Å; M98-I177 HydrophobicContact SD-CG2 4.48Å; L107-I177 HydrophobicContact CD1-CD1 4.3Å; W173-I177 HydrophobicContact CE3-CD1 3.74Å; W173-I177 HydrophobicContact CZ3-CD1 3.93Å; W173-I177 WeakPolarHBondContact O-CG1 3.3Å; W173-I177 PolarHBondContact O-N 3.44Å; R174-I177 PolarHBondContact O-N 2.9Å; L175-I177 VanDerWaalsContact C-N 3.32Å; L175-I177 PolarHBondContact O-N 3.32Å; I177-L179 PolarHBondContact O-N 2.88Å; I177-G180 WeakPolarHBondContact O-CA 3.43Å; I177-G180 PolarHBondContact O-N 3.34Å
178G94Very high90.9Very high26 Ų2636.8 Ų36.827%0.26821%0.209SC..Hα-helixtrans-63.3-35.7-175.600000114.1R174 L175 G180 G181R174-G178 WeakPolarHBondContact O-CA 3.5Å; R174-G178 PolarHBondContact O-N 2.89Å; L175-G178 PolarHBondContact O-N 3Å; G178-G180 PolarHBondContact O-N 3.4Å; G178-G181 WeakPolarHBondContact O-CA 3.36Å; G178-G181 PolarHBondContact O-N 2.89Å
179L93.9Very high91.7Very high57 Ų5740.6 Ų40.630%0.29822%0.223SC..Hα-helixtrans-61.3-26.5172.4-76.9-175.3000112.5L159 L163 L175 I177 G181 V182 T183L159-L179 HydrophobicContact CD1-CD1 4.08Å; L159-L179 HydrophobicContact CD2-CD1 4.06Å; L163-L179 HydrophobicContact CD1-CD1 3.69Å; L163-L179 HydrophobicContact CD1-CG 4.48Å; L175-L179 WeakPolarHBondContact O-CB 3.28Å; L175-L179 WeakPolarHBondContact O-CG 3.2Å; L175-L179 PolarHBondContact O-N 3.34Å; I177-L179 PolarHBondContact O-N 2.88Å; L179-G181 PolarHBondContact O-N 3.01Å; L179-V182 HydrophobicContact CD2-CG2 4.28Å; L179-V182 WeakPolarHBondContact O-CB 3.3Å; L179-V182 PolarHBondContact O-N 3.25Å; L179-V182 VanDerWaalsContact O-N 3.16Å; L179-T183 PolarHBondContact O-N 3.19Å
180G91.1Very high92.5Very high0 Ų040.3 Ų40.30%022%0.216CC..Hα-helixtrans-59.1-35.616900000112Y30 I177 G178 V182 T183 V184Y30-G180 VanDerWaalsContact CD1-CA 3.42Å; Y30-G180 VanDerWaalsContact CE1-N 3.31Å; I177-G180 WeakPolarHBondContact O-CA 3.43Å; I177-G180 PolarHBondContact O-N 3.34Å; G178-G180 PolarHBondContact O-N 3.4Å; G180-V182 VanDerWaalsContact C-N 3.32Å; G180-V182 PolarHBondContact O-N 3.47Å; G180-T183 WeakPolarHBondContact O-CB 3.44Å; G180-T183 PolarHBondContact O-N 2.88Å; G180-T183 VanDerWaalsContact O-N 3.11Å; G180-T183 PolarHBondContact O-OG1 3.35Å; G180-V184 WeakPolarHBondContact O-CG2 3.45Å; G180-V184 PolarHBondContact O-N 3.22Å
181G93.5Very high93.1Very high4 Ų437.4 Ų37.44%0.04120%0.2CC..Hα-helixtrans-64.4-35.9176.600000112.3G178 L179 T183 V184 I185G178-G181 WeakPolarHBondContact O-CA 3.36Å; G178-G181 PolarHBondContact O-N 2.89Å; L179-G181 PolarHBondContact O-N 3.01Å; G181-T183 VanDerWaalsContact C-N 3.28Å; G181-T183 PolarHBondContact O-N 3.37Å; G181-V184 WeakPolarHBondContact O-CB 3.44Å; G181-V184 PolarHBondContact O-N 2.79Å; G181-I185 VanDerWaalsContact O-CG1 3.28Å; G181-I185 WeakPolarHBondContact O-CG1 3.43Å; G181-I185 PolarHBondContact O-N 3.41Å
182V94.2Very high93.3Very high76 Ų7637 Ų3746%0.46120%0.204SC..Hα-helixtrans-60.2-41.5173.6-179.80000110.6L179 G180 V184 I185 V186L179-V182 HydrophobicContact CD2-CG2 4.28Å; L179-V182 WeakPolarHBondContact O-CB 3.3Å; L179-V182 PolarHBondContact O-N 3.25Å; L179-V182 VanDerWaalsContact O-N 3.16Å; G180-V182 VanDerWaalsContact C-N 3.32Å; G180-V182 PolarHBondContact O-N 3.47Å; V182-V184 VanDerWaalsContact C-N 3.27Å; V182-V184 PolarHBondContact O-N 2.95Å; V182-I185 PolarHBondContact O-N 3.21Å; V182-V186 WeakPolarHBondContact O-CG2 3.2Å; V182-V186 PolarHBondContact O-N 3.44Å
183T91.6Very high93.3Very high29 Ų2944.3 Ų44.318%0.17823%0.232CC..Hα-helixtrans-65.2-34.6179.776.20000111.6F26 L179 G180 G181 Q187F26-T183 HydrophobicContact CD1-CG2 4.08Å; F26-T183 HydrophobicContact CE1-CG2 3.51Å; L179-T183 PolarHBondContact O-N 3.19Å; G180-T183 WeakPolarHBondContact O-CB 3.44Å; G180-T183 PolarHBondContact O-N 2.88Å; G180-T183 VanDerWaalsContact O-N 3.11Å; G180-T183 PolarHBondContact O-OG1 3.35Å; G181-T183 VanDerWaalsContact C-N 3.28Å; G181-T183 PolarHBondContact O-N 3.37Å; T183-Q187 PolarHBondContact O-N 3.21Å
184V94.8Very high93.3Very high0 Ų044.4 Ų44.40%023%0.232CC..Hα-helixtrans-72.5-40.6174.6178.80000111.4P27 S88 F91 L92 G180 G181 V182 Q187 L188P27-V184 HydrophobicContact CB-CG2 3.88Å; P27-V184 HydrophobicContact CG-CG2 4.33Å; S88-V184 WeakPolarHBondContact O-CG1 3.39Å; F91-V184 HydrophobicContact CB-CG1 3.88Å; F91-V184 HydrophobicContact CB-CG2 3.94Å; F91-V184 HydrophobicContact CD1-CG2 4.32Å; F91-V184 HydrophobicContact CG-CG2 4.32Å; L92-V184 HydrophobicContact CB-CG1 3.99Å; G180-V184 WeakPolarHBondContact O-CG2 3.45Å; G180-V184 PolarHBondContact O-N 3.22Å; G181-V184 WeakPolarHBondContact O-CB 3.44Å; G181-V184 PolarHBondContact O-N 2.79Å; V182-V184 VanDerWaalsContact C-N 3.27Å; V182-V184 PolarHBondContact O-N 2.95Å; V184-Q187 WeakPolarHBondContact O-CB 3.45Å; V184-Q187 PolarHBondContact O-N 3.04Å; V184-L188 HydrophobicContact CG1-CD1 4.21Å; V184-L188 HydrophobicContact CG1-CG 4.46Å; V184-L188 WeakPolarHBondContact O-CG 3.37Å; V184-L188 PolarHBondContact O-N 2.83Å
185I95.6Very high93.1Very high70 Ų7042.8 Ų42.836%0.35923%0.228SC..Hα-helixtrans-61.4-47.1177-71.2165.5000110.3L92 G181 V182 Q187 L188 F189L92-I185 HydrophobicContact CD1-CD1 4.11Å; L92-I185 HydrophobicContact CD1-CG1 3.87Å; L92-I185 HydrophobicContact CD2-CG1 4.2Å; G181-I185 VanDerWaalsContact O-CG1 3.28Å; G181-I185 WeakPolarHBondContact O-CG1 3.43Å; G181-I185 PolarHBondContact O-N 3.41Å; V182-I185 PolarHBondContact O-N 3.21Å; I185-Q187 VanDerWaalsContact C-N 3.27Å; I185-Q187 PolarHBondContact O-N 2.91Å; I185-L188 WeakPolarHBondContact O-CB 3.4Å; I185-L188 PolarHBondContact O-N 2.86Å; I185-L188 VanDerWaalsContact O-N 3.1Å; I185-F189 HydrophobicContact CG2-CD2 3.85Å; I185-F189 HydrophobicContact CG2-CE2 3.51Å; I185-F189 WeakPolarHBondContact O-CD2 3.46Å; I185-F189 PolarHBondContact O-N 3.08Å; I185-F189 VanDerWaalsContact O-N 3.1Å
186V93.6Very high93.1Very high80 Ų8040.3 Ų40.349%0.48522%0.215SC..Hα-helixtrans-57.1-43.6175.5172.60000110.6V182 F189 L190V182-V186 WeakPolarHBondContact O-CG2 3.2Å; V182-V186 PolarHBondContact O-N 3.44Å; V186-F189 PolarHBondContact O-N 2.76Å; V186-L190 WeakPolarHBondContact O-CG 3Å; V186-L190 PolarHBondContact O-N 3.37Å
187Q93Very high92.9Very high1 Ų140.3 Ų40.31%0.00522%0.215CC..Hα-helixtrans-62.7-43.6175.3-172-167.8-14.800112.1S24 S88 T183 V184 I185 F189 L190 L191S24-Q187 PolarHBondContact OG-NE2 3.22Å; S88-Q187 PolarHBondContact OG-NE2 3.1Å; T183-Q187 PolarHBondContact O-N 3.21Å; V184-Q187 WeakPolarHBondContact O-CB 3.45Å; V184-Q187 PolarHBondContact O-N 3.04Å; I185-Q187 VanDerWaalsContact C-N 3.27Å; I185-Q187 PolarHBondContact O-N 2.91Å; Q187-F189 VanDerWaalsContact C-N 3.27Å; Q187-F189 PolarHBondContact O-N 2.96Å; Q187-L190 PolarHBondContact O-N 3.39Å; Q187-L191 HydrophobicContact CG-CD1 4.15Å; Q187-L191 HydrophobicContact CG-CG 4.2Å; Q187-L191 WeakPolarHBondContact O-CG 3.23Å; Q187-L191 PolarHBondContact O-N 3.4Å
188L94.5Very high92.6Very high32 Ų3240.6 Ų40.617%0.16822%0.217CC..Hα-helixtrans-59.8-33.8179-80.8169.2000112.9L89 L92 V184 I185 L190 L191 P192L89-L188 HydrophobicContact CD2-CD1 3.95Å; L89-L188 HydrophobicContact CD2-CD2 3.93Å; L89-L188 HydrophobicContact CG-CD2 4.07Å; L92-L188 HydrophobicContact CD2-CD1 4.01Å; V184-L188 HydrophobicContact CG1-CD1 4.21Å; V184-L188 HydrophobicContact CG1-CG 4.46Å; V184-L188 WeakPolarHBondContact O-CG 3.37Å; V184-L188 PolarHBondContact O-N 2.83Å; I185-L188 WeakPolarHBondContact O-CB 3.4Å; I185-L188 PolarHBondContact O-N 2.86Å; I185-L188 VanDerWaalsContact O-N 3.1Å; L188-L190 VanDerWaalsContact C-N 3.32Å; L188-L191 HydrophobicContact CD2-CD1 4.48Å; L188-P192 WeakPolarHBondContact O-CD 3.4Å
189F94.9Very high92.2Very high154 Ų15442.3 Ų42.368%0.67522%0.218SC*.Hα-helixtrans-70.6-26.7173.8-78.5-70.7000113.4I185 V186 Q187 Y193I185-F189 HydrophobicContact CG2-CD2 3.85Å; I185-F189 HydrophobicContact CG2-CE2 3.51Å; I185-F189 WeakPolarHBondContact O-CD2 3.46Å; I185-F189 PolarHBondContact O-N 3.08Å; I185-F189 VanDerWaalsContact O-N 3.1Å; V186-F189 PolarHBondContact O-N 2.76Å; Q187-F189 VanDerWaalsContact C-N 3.27Å; Q187-F189 PolarHBondContact O-N 2.96Å; F189-Y193 WeakPolarHBondContact O-CE2 3.37Å
190L93.5Very high92Very high55 Ų5540.3 Ų40.329%0.28821%0.206SC..Hα-helixtrans-85.7-31.9-179.6-65.5175.8000113.1I20 I23 V186 Q187 L188 P192 Y193I20-L190 HydrophobicContact CG1-CB 4.18Å; I20-L190 HydrophobicContact CG2-CB 3.96Å; I23-L190 HydrophobicContact CD1-CD1 3.9Å; V186-L190 WeakPolarHBondContact O-CG 3Å; V186-L190 PolarHBondContact O-N 3.37Å; Q187-L190 PolarHBondContact O-N 3.39Å; L188-L190 VanDerWaalsContact C-N 3.32Å; L190-P192 VanDerWaalsContact C-CD 3.43Å; L190-Y193 PolarHBondContact O-N 3.38Å
191L92.8Very high91.9Very high1 Ų140.5 Ų40.51%0.00521%0.207CC..G310 helixtrans-61.7-30.2-175.8-70.1171.5000116.4I20 I84 I85 S88 Q187 L188 Y193 L194I20-L191 HydrophobicContact CG2-CD2 4.19Å; I84-L191 HydrophobicContact CB-CD2 4.49Å; I84-L191 HydrophobicContact CG2-CD1 3.92Å; I84-L191 HydrophobicContact CG2-CD2 3.48Å; I84-L191 VanDerWaalsContact CG2-CD2 3.48Å; I84-L191 HydrophobicContact CG2-CG 4.37Å; I85-L191 HydrophobicContact CD1-CB 4.39Å; I85-L191 HydrophobicContact CG1-CB 3.73Å; I85-L191 HydrophobicContact CG1-CD1 4.1Å; I85-L191 HydrophobicContact CG1-CG 4.48Å; S88-L191 VanDerWaalsContact OG-CD1 3.3Å; S88-L191 WeakPolarHBondContact OG-CD1 2.98Å; Q187-L191 HydrophobicContact CG-CD1 4.15Å; Q187-L191 HydrophobicContact CG-CG 4.2Å; Q187-L191 WeakPolarHBondContact O-CG 3.23Å; Q187-L191 PolarHBondContact O-N 3.4Å; L188-L191 HydrophobicContact CD2-CD1 4.48Å; L191-Y193 PolarHBondContact O-N 3.47Å; L191-L194 HydrophobicContact CD2-CD2 4.17Å; L191-L194 WeakPolarHBondContact O-CB 3.44Å; L191-L194 PolarHBondContact O-N 2.83Å; L191-L194 VanDerWaalsContact O-N 3.07Å
192P91.6Very high91.6Very high76 Ų7640.6 Ų40.649%0.49421%0.208SC..G310 helixtrans-58.6-31.8175-28.936.1000113.6K81 L188 L190 L194K81-P192 PolarHBondContact NZ-O 2.9Å; L188-P192 WeakPolarHBondContact O-CD 3.4Å; L190-P192 VanDerWaalsContact C-CD 3.43Å; P192-L194 PolarHBondContact O-N 3.02Å
193Y90.7Very high91.1Very high153 Ų15340.8 Ų40.860%0.621%0.206SC*.G310 helixtrans-75.9-8.6178-58.4-75.2000113.8F189 L190 L191F189-Y193 WeakPolarHBondContact O-CE2 3.37Å; L190-Y193 PolarHBondContact O-N 3.38Å; L191-Y193 PolarHBondContact O-N 3.47Å
194L91.1Very high90.8Very high2 Ų242.6 Ų42.61%0.0122%0.215CC..PPolyproline II helixtrans-73.2132.5178.9-16265.9000110.5M17 I20 A21 K81 I84 Y128 L191 P192M17-L194 HydrophobicContact CB-CD1 4.13Å; M17-L194 HydrophobicContact CG-CD1 4.4Å; M17-L194 WeakPolarHBondContact O-CD1 3.49Å; I20-L194 HydrophobicContact CB-CD1 4.29Å; I20-L194 HydrophobicContact CG2-CD1 4.15Å; A21-L194 HydrophobicContact CB-CD1 4.41Å; K81-L194 WeakPolarHBondContact CD-O 3.39Å; K81-L194 WeakPolarHBondContact CE-O 3.03Å; K81-L194 HydrophobicContact CG-CB 4.49Å; K81-L194 PolarHBondContact NZ-O 2.94Å; I84-L194 HydrophobicContact CD1-CD2 4.25Å; Y128-L194 HydrophobicContact CE1-CD1 3.71Å; Y128-L194 HydrophobicContact CE1-CD2 4.06Å; Y128-L194 HydrophobicContact CE1-CG 4.08Å; Y128-L194 HydrophobicContact CE2-CD2 4.24Å; Y128-L194 HydrophobicContact CE2-CG 4.29Å; Y128-L194 WeakPolarHBondContact OH-CD1 3.25Å; Y128-L194 VanDerWaalsContact OH-CG 3.26Å; Y128-L194 WeakPolarHBondContact OH-CG 3.24Å; L191-L194 HydrophobicContact CD2-CD2 4.17Å; L191-L194 WeakPolarHBondContact O-CB 3.44Å; L191-L194 PolarHBondContact O-N 2.83Å; L191-L194 VanDerWaalsContact O-N 3.07Å; P192-L194 PolarHBondContact O-N 3.02Å
195A90.3Very high90.4Very high9 Ų944.7 Ų44.77%0.07424%0.236CC..PPolyproline II helixtrans-74.7156.1168.900000111Y13 M17 Y128 V213Y13-A195 HydrophobicContact CE1-CB 4.44Å; M17-A195 HydrophobicContact SD-CB 3.52Å; M17-A195 VanDerWaalsContact SD-CB 3.52Å; Y128-A195 VanDerWaalsContact CE2-O 3.22Å; Y128-A195 WeakPolarHBondContact CE2-O 3.27Å; Y128-A195 PolarHBondContact OH-O 3.41Å; A195-V213 HydrophobicContact CB-CG1 4.03Å; A195-V213 HydrophobicContact CB-CG2 3.94Å
196E92.9Very high90Very high22 Ų2246.8 Ų46.810%0.10324%0.239CC..PPolyproline II helixtrans-71155.6168.6-170.353.4-9400110.7G79 R80 K81 W200 L201G79-E196 WeakPolarHBondContact CA-OE2 2.89Å; R80-E196 WeakPolarHBondContact CA-OE1 3.39Å; R80-E196 WeakPolarHBondContact CB-OE1 3.24Å; R80-E196 PolarHBondContact N-OE1 3.2Å; R80-E196 PolarHBondContact N-OE2 2.64Å; K81-E196 VanDerWaalsContact CB-OE2 3.25Å; K81-E196 WeakPolarHBondContact CB-OE2 3.46Å; K81-E196 PolarHBondContact N-OE1 2.9Å; K81-E196 VanDerWaalsContact N-OE1 3.08Å; K81-E196 PolarHBondContact N-OE2 3.42Å; K81-E196 VanDerWaalsContact N-OE2 3.1Å; E196-W200 HydrophobicContact CG-CB 4.49Å; E196-W200 HydrophobicContact CG-CD2 4.19Å; E196-W200 HydrophobicContact CG-CE3 3.43Å; E196-W200 VanDerWaalsContact CG-CE3 3.43Å; E196-W200 HydrophobicContact CG-CZ3 3.92Å; E196-L201 HydrophobicContact CB-CD1 4.15Å; E196-L201 HydrophobicContact CB-CD2 4.19Å; E196-L201 HydrophobicContact CB-CG 4.17Å; E196-L201 HydrophobicContact CG-CD2 4.09Å; E196-L201 HydrophobicContact CG-CG 4.12Å
197S89.7Confident89.7Confident0 Ų045.1 Ų45.10%023%0.23CC..PPolyproline II helixtrans-60.5128179.1161.20000111.2E131 H199 W200 L201E131-S197 VanDerWaalsContact OE2-CB 3.29Å; E131-S197 WeakPolarHBondContact OE2-CB 3.31Å; E131-S197 PolarHBondContact OE2-OG 3.31Å; S197-H199 PolarHBondContact O-N 2.87Å; S197-H199 PolarHBondContact OG-N 2.92Å; S197-W200 VanDerWaalsContact O-CB 3.3Å; S197-W200 WeakPolarHBondContact O-CB 3.29Å; S197-W200 PolarHBondContact O-N 3.47Å; S197-W200 PolarHBondContact OG-N 2.85Å; S197-L201 WeakPolarHBondContact O-CG 3.17Å; S197-L201 PolarHBondContact O-N 3.43Å
198P87.5Confident89.5Confident6 Ų651.9 Ų51.94%0.03926%0.261CS..Hα-helixtrans-61.6-32.5179.225.2-33.3000111.6L201 A202 V213 L214 I217P198-L201 PolarHBondContact O-N 2.75Å; P198-A202 WeakPolarHBondContact O-CB 3.42Å; P198-A202 PolarHBondContact O-N 3.46Å; P198-V213 HydrophobicContact CB-CG1 4.21Å; P198-V213 HydrophobicContact CG-CG1 4.38Å; P198-L214 HydrophobicContact CB-CD1 4.29Å; P198-L214 HydrophobicContact CB-CD2 3.76Å; P198-L214 HydrophobicContact CB-CG 3.66Å; P198-L214 HydrophobicContact CG-CD2 3.88Å; P198-L214 HydrophobicContact CG-CG 4.34Å; P198-I217 HydrophobicContact CG-CD1 4.36Å
199H86Confident89.2Confident62 Ų6254.8 Ų54.829%0.28727%0.274SS..Hα-helixtrans-68.5-37.3176.3-172.953.4000112.1E131 S197 N203E131-H199 HydrophobicContact CB-CB 4.46Å; E131-H199 HydrophobicContact CG-CB 4.28Å; S197-H199 PolarHBondContact O-N 2.87Å; S197-H199 PolarHBondContact OG-N 2.92Å; H199-N203 WeakPolarHBondContact O-CB 3.28Å; H199-N203 PolarHBondContact O-N 2.94Å; H199-N203 VanDerWaalsContact O-N 3.17Å
200W88.4Confident88.8Confident15 Ų1547.4 Ų47.46%0.05724%0.242CC..Hα-helixtrans-62.8-48.3173.1-165.969.1000111.7N75 E76 F78 G79 E196 S197 A202 N203 N204N75-W200 PolarHBondContact O-NE1 3.39Å; E76-W200 PolarHBondContact O-NE1 3.26Å; F78-W200 VanDerWaalsContact C-CZ2 3.4Å; G79-W200 VanDerWaalsContact N-CE2 3.26Å; G79-W200 VanDerWaalsContact N-CZ2 3.29Å; E196-W200 HydrophobicContact CG-CB 4.49Å; E196-W200 HydrophobicContact CG-CD2 4.19Å; E196-W200 HydrophobicContact CG-CE3 3.43Å; E196-W200 VanDerWaalsContact CG-CE3 3.43Å; E196-W200 HydrophobicContact CG-CZ3 3.92Å; S197-W200 VanDerWaalsContact O-CB 3.3Å; S197-W200 WeakPolarHBondContact O-CB 3.29Å; S197-W200 PolarHBondContact O-N 3.47Å; S197-W200 PolarHBondContact OG-N 2.85Å; W200-A202 VanDerWaalsContact C-N 3.35Å; W200-A202 PolarHBondContact O-N 3.2Å; W200-N203 PolarHBondContact O-N 3.5Å; W200-N204 WeakPolarHBondContact CZ2-ND2 3.5Å; W200-N204 PolarHBondContact NE1-ND2 3.36Å; W200-N204 WeakPolarHBondContact O-CB 3.44Å; W200-N204 PolarHBondContact O-N 3.19Å
201L89.1Confident88.6Confident3 Ų347.9 Ų47.92%0.01624%0.242CC..Hα-helixtrans-59.6-47.7-176.4-70.6170.6000110.3E196 S197 P198 N203 N204 G205 R206 E209 A210 V213E196-L201 HydrophobicContact CB-CD1 4.15Å; E196-L201 HydrophobicContact CB-CD2 4.19Å; E196-L201 HydrophobicContact CB-CG 4.17Å; E196-L201 HydrophobicContact CG-CD2 4.09Å; E196-L201 HydrophobicContact CG-CG 4.12Å; S197-L201 WeakPolarHBondContact O-CG 3.17Å; S197-L201 PolarHBondContact O-N 3.43Å; P198-L201 PolarHBondContact O-N 2.75Å; L201-N203 PolarHBondContact O-N 2.83Å; L201-N204 PolarHBondContact O-N 2.74Å; L201-G205 PolarHBondContact O-N 3.49Å; L201-R206 HydrophobicContact CB-CB 4.25Å; L201-R206 HydrophobicContact CD2-CB 4.08Å; L201-R206 CarbonylContact O-C 3.6Å; L201-R206 WeakPolarHBondContact O-CA 3.37Å; L201-R206 WeakPolarHBondContact O-CB 3.4Å; L201-R206 PolarHBondContact O-N 2.97Å; L201-E209 HydrophobicContact CD1-CB 3.99Å; L201-E209 HydrophobicContact CD2-CB 4.09Å; L201-E209 VanDerWaalsContact CD2-OE2 3.23Å; L201-E209 WeakPolarHBondContact CD2-OE2 3.3Å; L201-E209 HydrophobicContact CG-CB 4.49Å; L201-A210 HydrophobicContact CB-CB 3.71Å; L201-V213 HydrophobicContact CD1-CG2 4.09Å
202A87.2Confident88.4Confident7 Ų752.1 Ų52.16%0.05827%0.268CS..Hα-helixtrans-61.6-45.1176.800000112.4P198 W200 N204 G205 A210 L232 S235P198-A202 WeakPolarHBondContact O-CB 3.42Å; P198-A202 PolarHBondContact O-N 3.46Å; W200-A202 VanDerWaalsContact C-N 3.35Å; W200-A202 PolarHBondContact O-N 3.2Å; A202-N204 VanDerWaalsContact C-N 3.28Å; A202-N204 PolarHBondContact O-N 2.91Å; A202-G205 PolarHBondContact O-N 3.42Å; A202-G205 VanDerWaalsContact O-N 3.11Å; A202-A210 HydrophobicContact CB-CB 4.13Å; A202-L232 HydrophobicContact CB-CD2 4.21Å; A202-S235 WeakPolarHBondContact CB-OG 3.48Å
203N83.5Confident88.2Confident79 Ų7949.3 Ų49.342%0.42225%0.25SC..Hα-helixtrans-62.1-37.4179.1-166.662.9000112.2H199 W200 L201 G205 K239H199-N203 WeakPolarHBondContact O-CB 3.28Å; H199-N203 PolarHBondContact O-N 2.94Å; H199-N203 VanDerWaalsContact O-N 3.17Å; W200-N203 PolarHBondContact O-N 3.5Å; L201-N203 PolarHBondContact O-N 2.83Å; N203-G205 PolarHBondContact O-N 3.5Å; N203-K239 WeakPolarHBondContact O-CE 3.01Å; N203-K239 PolarHBondContact O-NZ 3.31Å
204N86.5Confident88Confident68 Ų6842.5 Ų42.536%0.36422%0.224SC..THydrogen-bonded Turntrans-84.613.2179-7513.9000114W200 L201 A202 R206W200-N204 WeakPolarHBondContact CZ2-ND2 3.5Å; W200-N204 PolarHBondContact NE1-ND2 3.36Å; W200-N204 WeakPolarHBondContact O-CB 3.44Å; W200-N204 PolarHBondContact O-N 3.19Å; L201-N204 PolarHBondContact O-N 2.74Å; A202-N204 VanDerWaalsContact C-N 3.28Å; A202-N204 PolarHBondContact O-N 2.91Å; N204-R206 VanDerWaalsContact C-N 3.28Å; N204-R206 PolarHBondContact O-N 2.95Å
205G85.3Confident87.8Confident44 Ų4443.8 Ų43.845%0.45423%0.23SC..THydrogen-bonded Turntrans76.410.5176.200000114.7L201 A202 N203 T207L201-G205 PolarHBondContact O-N 3.49Å; A202-G205 PolarHBondContact O-N 3.42Å; A202-G205 VanDerWaalsContact O-N 3.11Å; N203-G205 PolarHBondContact O-N 3.5Å; G205-T207 VanDerWaalsContact C-N 3.3Å; G205-T207 PolarHBondContact O-N 3.3Å
206R88.2Confident87.6Confident113 Ų11344.8 Ų44.843%0.42624%0.237SC..  trans-92.859.7175.1-58.2-178.7178.3-145.2-3.1110.3L201 N204 E208 E209 A210L201-R206 HydrophobicContact CB-CB 4.25Å; L201-R206 HydrophobicContact CD2-CB 4.08Å; L201-R206 CarbonylContact O-C 3.6Å; L201-R206 WeakPolarHBondContact O-CA 3.37Å; L201-R206 WeakPolarHBondContact O-CB 3.4Å; L201-R206 PolarHBondContact O-N 2.97Å; N204-R206 VanDerWaalsContact C-N 3.28Å; N204-R206 PolarHBondContact O-N 2.95Å; R206-E208 PolarHBondContact O-N 3.44Å; R206-E209 HydrophobicContact CB-CB 4.27Å; R206-E209 IonicContact NH1-OE1 3.64Å; R206-E209 PolarHBondContact NH1-OE1 2.89Å; R206-E209 IonicContact NH1-OE2 3.98Å; R206-E209 PolarHBondContact NH1-OE2 3.2Å; R206-E209 PolarHBondContact O-N 3.46Å; R206-A210 WeakPolarHBondContact O-CB 3.35Å; R206-A210 PolarHBondContact O-N 2.88Å
207T86.7Confident87.3Confident45 Ų4543.8 Ų43.828%0.27623%0.232SC..Hα-helixtrans-63.7-37.7-174.947.90000112.7G205 A210 H211G205-T207 VanDerWaalsContact C-N 3.3Å; G205-T207 PolarHBondContact O-N 3.3Å; T207-A210 WeakPolarHBondContact O-CB 3.36Å; T207-A210 PolarHBondContact O-N 2.92Å; T207-H211 WeakPolarHBondContact O-CB 3.19Å; T207-H211 PolarHBondContact O-N 2.91Å
208E88.1Confident87.1Confident144 Ų14444.7 Ų44.767%0.67324%0.236SC*.Hα-helixtrans-64.2-44.1177-66.4-56.9139.100113.1R206 A210 H211 T212R206-E208 PolarHBondContact O-N 3.44Å; E208-A210 VanDerWaalsContact C-N 3.34Å; E208-H211 PolarHBondContact O-N 3.49Å; E208-T212 PolarHBondContact O-N 3.48Å; E208-T212 PolarHBondContact O-OG1 2.99Å
209E88.8Confident86.8Confident92 Ų9245 Ų4543%0.4324%0.24SC..Hα-helixtrans-64-42.4173.8-68.1179.6-151.600110.3L201 R206 H211 T212 V213L201-E209 HydrophobicContact CD1-CB 3.99Å; L201-E209 HydrophobicContact CD2-CB 4.09Å; L201-E209 VanDerWaalsContact CD2-OE2 3.23Å; L201-E209 WeakPolarHBondContact CD2-OE2 3.3Å; L201-E209 HydrophobicContact CG-CB 4.49Å; R206-E209 HydrophobicContact CB-CB 4.27Å; R206-E209 IonicContact NH1-OE1 3.64Å; R206-E209 PolarHBondContact NH1-OE1 2.89Å; R206-E209 IonicContact NH1-OE2 3.98Å; R206-E209 PolarHBondContact NH1-OE2 3.2Å; R206-E209 PolarHBondContact O-N 3.46Å; E209-H211 VanDerWaalsContact C-N 3.35Å; E209-H211 PolarHBondContact O-N 2.76Å; E209-T212 PolarHBondContact O-N 3.01Å; E209-V213 WeakPolarHBondContact O-CG2 3.32Å; E209-V213 PolarHBondContact O-N 3.36Å
210A88Confident86.5Confident0 Ų047 Ų470%025%0.252CS..Hα-helixtrans-61.5-42.5177.100000112L201 A202 R206 T207 E208 V213 L214 L232L201-A210 HydrophobicContact CB-CB 3.71Å; A202-A210 HydrophobicContact CB-CB 4.13Å; R206-A210 WeakPolarHBondContact O-CB 3.35Å; R206-A210 PolarHBondContact O-N 2.88Å; T207-A210 WeakPolarHBondContact O-CB 3.36Å; T207-A210 PolarHBondContact O-N 2.92Å; E208-A210 VanDerWaalsContact C-N 3.34Å; A210-V213 PolarHBondContact O-N 3.31Å; A210-L214 WeakPolarHBondContact O-CB 3.38Å; A210-L214 VanDerWaalsContact O-CG 3.25Å; A210-L214 WeakPolarHBondContact O-CG 3.17Å; A210-L214 PolarHBondContact O-N 3.17Å; A210-L232 HydrophobicContact CB-CD2 3.83Å
211H88.2Confident86.2Confident64 Ų6450 Ų5030%0.29627%0.27SS..Hα-helixtrans-60.9-46.2176.5-177.6-101.3000111.1T207 E208 E209 V213 L214 L215 L232T207-H211 WeakPolarHBondContact O-CB 3.19Å; T207-H211 PolarHBondContact O-N 2.91Å; E208-H211 PolarHBondContact O-N 3.49Å; E209-H211 VanDerWaalsContact C-N 3.35Å; E209-H211 PolarHBondContact O-N 2.76Å; H211-V213 PolarHBondContact O-N 3.46Å; H211-L214 PolarHBondContact O-N 2.86Å; H211-L215 WeakPolarHBondContact CE1-CD1 3.37Å; H211-L215 WeakPolarHBondContact O-CG 3.38Å; H211-L215 PolarHBondContact O-N 2.85Å; H211-L232 HydrophobicContact CB-CD1 3.83Å
212T87.9Confident85.8Confident91 Ų9156.6 Ų56.656%0.55831%0.305SS*.Hα-helixtrans-61.8-43.4178.4-55.70000112.1E208 E209 S216E208-T212 PolarHBondContact O-N 3.48Å; E208-T212 PolarHBondContact O-OG1 2.99Å; E209-T212 PolarHBondContact O-N 3.01Å; T212-S216 PolarHBondContact O-N 3.12Å; T212-S216 VanDerWaalsContact O-N 3.09Å
213V87.9Confident85.4Confident16 Ų1658.3 Ų58.310%0.09731%0.313CS..Hα-helixtrans-68.8-37.9177.21750000111.6A195 P198 L201 E209 A210 H211 S216 I217A195-V213 HydrophobicContact CB-CG1 4.03Å; A195-V213 HydrophobicContact CB-CG2 3.94Å; P198-V213 HydrophobicContact CB-CG1 4.21Å; P198-V213 HydrophobicContact CG-CG1 4.38Å; L201-V213 HydrophobicContact CD1-CG2 4.09Å; E209-V213 WeakPolarHBondContact O-CG2 3.32Å; E209-V213 PolarHBondContact O-N 3.36Å; A210-V213 PolarHBondContact O-N 3.31Å; H211-V213 PolarHBondContact O-N 3.46Å; V213-S216 PolarHBondContact O-N 3.44Å; V213-S216 PolarHBondContact O-OG 3.27Å; V213-I217 HydrophobicContact CG1-CD1 3.9Å; V213-I217 WeakPolarHBondContact O-CD1 3.37Å; V213-I217 VanDerWaalsContact O-CG1 3.24Å; V213-I217 WeakPolarHBondContact O-CG1 3.44Å; V213-I217 PolarHBondContact O-N 3.25Å; V213-I217 VanDerWaalsContact O-N 3.13Å
214L87.4Confident85.2Confident11 Ų1154.5 Ų54.56%0.05829%0.293CS..Hα-helixtrans-68.3-41176.7-74.7169.6000112P198 A210 H211 S216 I217 Y218 T228 L231 L232P198-L214 HydrophobicContact CB-CD1 4.29Å; P198-L214 HydrophobicContact CB-CD2 3.76Å; P198-L214 HydrophobicContact CB-CG 3.66Å; P198-L214 HydrophobicContact CG-CD2 3.88Å; P198-L214 HydrophobicContact CG-CG 4.34Å; A210-L214 WeakPolarHBondContact O-CB 3.38Å; A210-L214 VanDerWaalsContact O-CG 3.25Å; A210-L214 WeakPolarHBondContact O-CG 3.17Å; A210-L214 PolarHBondContact O-N 3.17Å; H211-L214 PolarHBondContact O-N 2.86Å; L214-S216 VanDerWaalsContact C-N 3.31Å; L214-S216 PolarHBondContact O-N 3.06Å; L214-I217 PolarHBondContact O-N 3.4Å; L214-I217 VanDerWaalsContact O-N 3.14Å; L214-Y218 HydrophobicContact CD2-CD2 4.26Å; L214-Y218 HydrophobicContact CD2-CE2 3.91Å; L214-Y218 WeakPolarHBondContact O-CD2 3.47Å; L214-Y218 PolarHBondContact O-N 3.39Å; L214-T228 HydrophobicContact CB-CG2 3.45Å; L214-T228 VanDerWaalsContact CB-CG2 3.45Å; L214-T228 WeakPolarHBondContact CB-OG1 3.31Å; L214-T228 HydrophobicContact CD1-CG2 4.01Å; L214-T228 HydrophobicContact CG-CG2 4.38Å; L214-L231 HydrophobicContact CD1-CB 4.33Å; L214-L231 HydrophobicContact CD2-CD1 3.99Å; L214-L232 HydrophobicContact CD1-CD1 4.49Å; L214-L232 HydrophobicContact CD1-CD2 3.85Å; L214-L232 HydrophobicContact CD1-CG 3.85Å
215L87.1Confident85Confident28 Ų2855.2 Ų55.215%0.14729%0.293CS..Hα-helixtrans-62.4-37.5173.8-73.8-177.6000112.2H211 I217 G219 K225 T228H211-L215 WeakPolarHBondContact CE1-CD1 3.37Å; H211-L215 WeakPolarHBondContact O-CG 3.38Å; H211-L215 PolarHBondContact O-N 2.85Å; L215-I217 VanDerWaalsContact C-N 3.28Å; L215-I217 PolarHBondContact O-N 2.85Å; L215-G219 CarbonylContact O-C 3.55Å; L215-G219 VanDerWaalsContact O-C 3.26Å; L215-G219 VanDerWaalsContact O-CA 3.22Å; L215-G219 WeakPolarHBondContact O-CA 3.37Å; L215-G219 PolarHBondContact O-N 2.91Å; L215-K225 HydrophobicContact CD2-CB 4.44Å; L215-K225 HydrophobicContact CD2-CG 3.65Å; L215-T228 HydrophobicContact CD2-CG2 4.34Å; L215-T228 HydrophobicContact CG-CG2 4.36Å
216S85.9Confident84.9Confident31 Ų3155 Ų5522%0.21729%0.287CS..Hα-helixtrans-70.8-24.6175.871.70000113.2T11 Y13 T212 V213 L214T11-S216 VanDerWaalsContact CB-O 3.24Å; T11-S216 WeakPolarHBondContact CB-O 3.34Å; T11-S216 VanDerWaalsContact CG2-O 3.27Å; T11-S216 WeakPolarHBondContact CG2-O 3.2Å; T11-S216 PolarHBondContact OG1-O 3.03Å; Y13-S216 VanDerWaalsContact CD1-CB 3.44Å; Y13-S216 WeakPolarHBondContact CD1-OG 3.4Å; Y13-S216 WeakPolarHBondContact CE1-OG 3.25Å; T212-S216 PolarHBondContact O-N 3.12Å; T212-S216 VanDerWaalsContact O-N 3.09Å; V213-S216 PolarHBondContact O-N 3.44Å; V213-S216 PolarHBondContact O-OG 3.27Å; L214-S216 VanDerWaalsContact C-N 3.31Å; L214-S216 PolarHBondContact O-N 3.06Å
217I85.6Confident84.5Confident1 Ų150.4 Ų50.41%0.00527%0.27CS..Hα-helixtrans-80-50.5174.6-68.5163.6000111.5T11 M14 M17 P134 P198 V213 L214 L215T11-I217 PolarHBondContact OG1-O 2.88Å; M14-I217 HydrophobicContact CG-CG2 4.25Å; M17-I217 HydrophobicContact CE-CD1 4.08Å; M17-I217 HydrophobicContact CE-CG1 3.54Å; P134-I217 HydrophobicContact CG-CG2 3.85Å; P198-I217 HydrophobicContact CG-CD1 4.36Å; V213-I217 HydrophobicContact CG1-CD1 3.9Å; V213-I217 WeakPolarHBondContact O-CD1 3.37Å; V213-I217 VanDerWaalsContact O-CG1 3.24Å; V213-I217 WeakPolarHBondContact O-CG1 3.44Å; V213-I217 PolarHBondContact O-N 3.25Å; V213-I217 VanDerWaalsContact O-N 3.13Å; L214-I217 PolarHBondContact O-N 3.4Å; L214-I217 VanDerWaalsContact O-N 3.14Å; L215-I217 VanDerWaalsContact C-N 3.28Å; L215-I217 PolarHBondContact O-N 2.85Å
218Y85.4Confident84.4Confident19 Ų1948.2 Ų48.28%0.07526%0.257CS..Hα-helixtrans-90.3-19.8-172.2-73.1-78.8000114.1T8 P134 L214 I227 L231T8-Y218 WeakPolarHBondContact CB-O 3.22Å; T8-Y218 HydrophobicContact CG2-CD1 4.38Å; T8-Y218 WeakPolarHBondContact CG2-O 3.43Å; P134-Y218 HydrophobicContact CB-CE1 3.87Å; P134-Y218 HydrophobicContact CG-CD1 4.48Å; P134-Y218 HydrophobicContact CG-CE1 4.02Å; L214-Y218 HydrophobicContact CD2-CD2 4.26Å; L214-Y218 HydrophobicContact CD2-CE2 3.91Å; L214-Y218 WeakPolarHBondContact O-CD2 3.47Å; L214-Y218 PolarHBondContact O-N 3.39Å; Y218-I227 HydrophobicContact CD1-CB 4.24Å; Y218-I227 HydrophobicContact CD1-CD1 3.99Å; Y218-I227 HydrophobicContact CD1-CG2 3.65Å; Y218-I227 HydrophobicContact CD2-CG2 4.11Å; Y218-I227 HydrophobicContact CE1-CD1 4.49Å; Y218-I227 HydrophobicContact CE1-CG2 3.54Å; Y218-I227 HydrophobicContact CE2-CG2 4.01Å; Y218-I227 HydrophobicContact CG-CB 4.39Å; Y218-I227 HydrophobicContact CG-CG2 3.95Å; Y218-L231 HydrophobicContact CD2-CD1 4.37Å; Y218-L231 HydrophobicContact CE2-CD1 3.44Å; Y218-L231 VanDerWaalsContact CE2-CD1 3.44Å
219G82.5Confident84.1Confident12 Ų1247.5 Ų47.512%0.12425%0.252CS..  trans104.2158.2-173.700000112.6L215 D221L215-G219 CarbonylContact O-C 3.55Å; L215-G219 VanDerWaalsContact O-C 3.26Å; L215-G219 VanDerWaalsContact O-CA 3.22Å; L215-G219 WeakPolarHBondContact O-CA 3.37Å; L215-G219 PolarHBondContact O-N 2.91Å; G219-D221 VanDerWaalsContact C-N 3.29Å
220D79.9Confident83.9Confident103 Ų10345 Ų4555%0.55125%0.247SC*.SBendtrans-89.16.4175.8-164.753.9000113.1K225D220-K225 WeakPolarHBondContact O-CE 3.34Å; D220-K225 PolarHBondContact O-NZ 3.12Å; D220-K225 WeakPolarHBondContact OD1-CE 3.38Å; D220-K225 IonicContact OD1-NZ 3.02Å; D220-K225 PolarHBondContact OD1-NZ 3.29Å; D220-K225 IonicContact OD2-NZ 3.01Å; D220-K225 PolarHBondContact OD2-NZ 3.11Å
221D81.6Confident83.6Confident79 Ų7946.9 Ų46.942%0.42226%0.257SS..SBendtrans-71.9160.1174.565.4-51.2000111.6G219 N223 G224 K225G219-D221 VanDerWaalsContact C-N 3.29Å; D221-N223 PolarHBondContact O-N 3.39Å; D221-N223 VanDerWaalsContact O-N 3.07Å; D221-N223 WeakPolarHBondContact OD2-CB 3.17Å; D221-G224 WeakPolarHBondContact O-CA 3.05Å; D221-G224 PolarHBondContact O-N 2.93Å; D221-G224 PolarHBondContact OD1-N 2.87Å; D221-K225 PolarHBondContact O-N 3.32Å
222D79.9Confident83.4Confident141 Ų14144.7 Ų44.775%0.75425%0.247SC*.Hα-helixtrans-54.3-33.8-177.3-69.4-25000112.9A226D222-A226 WeakPolarHBondContact O-CB 3.39Å; D222-A226 PolarHBondContact O-N 3.32Å
223N79.9Confident83.3Confident43 Ų4344.8 Ų44.823%0.2324%0.241CC..Hα-helixtrans-72.5-43176.3-173.154.2000111.6K6 T8 D221 A226 I227K6-N223 PolarHBondContact O-ND2 3.1Å; T8-N223 WeakPolarHBondContact CG2-ND2 3.29Å; D221-N223 PolarHBondContact O-N 3.39Å; D221-N223 VanDerWaalsContact O-N 3.07Å; D221-N223 WeakPolarHBondContact OD2-CB 3.17Å; N223-A226 PolarHBondContact O-N 3.42Å; N223-I227 WeakPolarHBondContact O-CD1 3.36Å; N223-I227 VanDerWaalsContact O-CG1 3.28Å; N223-I227 WeakPolarHBondContact O-CG1 3.33Å; N223-I227 PolarHBondContact O-N 3.15Å
224G79.1Confident83Confident0 Ų047.2 Ų47.20%025%0.251CS..Hα-helixtrans-60.8-42.3173.500000113.2D221 I227 T228D221-G224 WeakPolarHBondContact O-CA 3.05Å; D221-G224 PolarHBondContact O-N 2.93Å; D221-G224 PolarHBondContact OD1-N 2.87Å; G224-I227 PolarHBondContact O-N 3.46Å; G224-T228 WeakPolarHBondContact O-CB 3.47Å; G224-T228 PolarHBondContact O-N 2.96Å; G224-T228 PolarHBondContact O-OG1 3.23Å
225K82.4Confident82.6Confident82 Ų8247.3 Ų47.336%0.35725%0.253SS..Hα-helixtrans-62-44.2173.2-75173.5176.7150.20112.3L215 D220 D221 T228 K229L215-K225 HydrophobicContact CD2-CB 4.44Å; L215-K225 HydrophobicContact CD2-CG 3.65Å; D220-K225 WeakPolarHBondContact O-CE 3.34Å; D220-K225 PolarHBondContact O-NZ 3.12Å; D220-K225 WeakPolarHBondContact OD1-CE 3.38Å; D220-K225 IonicContact OD1-NZ 3.02Å; D220-K225 PolarHBondContact OD1-NZ 3.29Å; D220-K225 IonicContact OD2-NZ 3.01Å; D220-K225 PolarHBondContact OD2-NZ 3.11Å; D221-K225 PolarHBondContact O-N 3.32Å; K225-T228 PolarHBondContact O-N 2.76Å; K225-K229 WeakPolarHBondContact O-CB 3.23Å; K225-K229 PolarHBondContact O-N 3.36Å
226A82Confident82.3Confident39 Ų3950.9 Ų50.932%0.32227%0.269SS..Hα-helixtrans-63.8-41.717800000112.7D222 N223 A230D222-A226 WeakPolarHBondContact O-CB 3.39Å; D222-A226 PolarHBondContact O-N 3.32Å; N223-A226 PolarHBondContact O-N 3.42Å; A226-A230 WeakPolarHBondContact O-CB 3.05Å; A226-A230 PolarHBondContact O-N 3.2Å; A226-A230 VanDerWaalsContact O-N 3.1Å
227I81.3Confident82Confident17 Ų1753.9 Ų53.99%0.08729%0.286CS..Hα-helixtrans-65.7-46.5176.4-65.7159.2000110.5M5 T8 Y218 N223 G224 K229 A230 L231M5-I227 HydrophobicContact CB-CD1 4.28Å; M5-I227 HydrophobicContact CB-CG1 3.99Å; M5-I227 HydrophobicContact CG-CG1 4.05Å; M5-I227 HydrophobicContact SD-CB 4.19Å; M5-I227 HydrophobicContact SD-CG1 3.41Å; M5-I227 WeakPolarHBondContact SD-CG1 3.28Å; T8-I227 HydrophobicContact CG2-CD1 3.6Å; Y218-I227 HydrophobicContact CD1-CB 4.24Å; Y218-I227 HydrophobicContact CD1-CD1 3.99Å; Y218-I227 HydrophobicContact CD1-CG2 3.65Å; Y218-I227 HydrophobicContact CD2-CG2 4.11Å; Y218-I227 HydrophobicContact CE1-CD1 4.49Å; Y218-I227 HydrophobicContact CE1-CG2 3.54Å; Y218-I227 HydrophobicContact CE2-CG2 4.01Å; Y218-I227 HydrophobicContact CG-CB 4.39Å; Y218-I227 HydrophobicContact CG-CG2 3.95Å; N223-I227 WeakPolarHBondContact O-CD1 3.36Å; N223-I227 VanDerWaalsContact O-CG1 3.28Å; N223-I227 WeakPolarHBondContact O-CG1 3.33Å; N223-I227 PolarHBondContact O-N 3.15Å; G224-I227 PolarHBondContact O-N 3.46Å; I227-K229 PolarHBondContact O-N 3Å; I227-A230 PolarHBondContact O-N 3.45Å; I227-L231 HydrophobicContact CG2-CD1 3.89Å; I227-L231 HydrophobicContact CG2-CG 4.36Å; I227-L231 WeakPolarHBondContact O-CG 3.26Å; I227-L231 PolarHBondContact O-N 3.21Å
228T83Confident81.4Confident0 Ų058.2 Ų58.20%030%0.302CS..Hα-helixtrans-57-48178.1-67.40000111.4L214 L215 G224 K225 A230 L231 L232L214-T228 HydrophobicContact CB-CG2 3.45Å; L214-T228 VanDerWaalsContact CB-CG2 3.45Å; L214-T228 WeakPolarHBondContact CB-OG1 3.31Å; L214-T228 HydrophobicContact CD1-CG2 4.01Å; L214-T228 HydrophobicContact CG-CG2 4.38Å; L215-T228 HydrophobicContact CD2-CG2 4.34Å; L215-T228 HydrophobicContact CG-CG2 4.36Å; G224-T228 WeakPolarHBondContact O-CB 3.47Å; G224-T228 PolarHBondContact O-N 2.96Å; G224-T228 PolarHBondContact O-OG1 3.23Å; K225-T228 PolarHBondContact O-N 2.76Å; T228-A230 PolarHBondContact O-N 2.82Å; T228-L231 PolarHBondContact O-N 3.14Å; T228-L232 HydrophobicContact CG2-CD1 4.13Å; T228-L232 WeakPolarHBondContact O-CG 3.49Å; T228-L232 PolarHBondContact O-N 3.15Å
229K83.4Confident80.7Confident128 Ų12860.1 Ų60.156%0.55731%0.311SS*.Hα-helixtrans-60.7-46.1177.8-175.5173175.2174.40112K225 I227 L231 L232 E233K225-K229 WeakPolarHBondContact O-CB 3.23Å; K225-K229 PolarHBondContact O-N 3.36Å; I227-K229 PolarHBondContact O-N 3Å; K229-L231 VanDerWaalsContact C-N 3.32Å; K229-L231 PolarHBondContact O-N 3.39Å; K229-L232 PolarHBondContact O-N 3.22Å; K229-E233 WeakPolarHBondContact CE-OE1 3.25Å; K229-E233 HydrophobicContact CG-CG 4.47Å; K229-E233 WeakPolarHBondContact O-CG 3.12Å; K229-E233 PolarHBondContact O-N 3.33Å
230A83.5Confident80.1Confident39 Ų3962.8 Ų62.832%0.32233%0.327SS..Hα-helixtrans-61.9-37.3178.300000113M5 A226 I227 T228 E234M5-A230 HydrophobicContact CE-CB 3.92Å; A226-A230 WeakPolarHBondContact O-CB 3.05Å; A226-A230 PolarHBondContact O-N 3.2Å; A226-A230 VanDerWaalsContact O-N 3.1Å; I227-A230 PolarHBondContact O-N 3.45Å; T228-A230 PolarHBondContact O-N 2.82Å; A230-E234 WeakPolarHBondContact O-CB 3.33Å; A230-E234 PolarHBondContact O-N 2.82Å
231L82.7Confident79.4Confident41 Ų4161.1 Ų61.122%0.21532%0.324CS..Hα-helixtrans-70.3-35.5177.2-71.6172.4000112.7L214 Y218 I227 T228 K229 S235L214-L231 HydrophobicContact CD1-CB 4.33Å; L214-L231 HydrophobicContact CD2-CD1 3.99Å; Y218-L231 HydrophobicContact CD2-CD1 4.37Å; Y218-L231 HydrophobicContact CE2-CD1 3.44Å; Y218-L231 VanDerWaalsContact CE2-CD1 3.44Å; I227-L231 HydrophobicContact CG2-CD1 3.89Å; I227-L231 HydrophobicContact CG2-CG 4.36Å; I227-L231 WeakPolarHBondContact O-CG 3.26Å; I227-L231 PolarHBondContact O-N 3.21Å; T228-L231 PolarHBondContact O-N 3.14Å; K229-L231 VanDerWaalsContact C-N 3.32Å; K229-L231 PolarHBondContact O-N 3.39Å; L231-S235 PolarHBondContact O-N 3.13Å; L231-S235 VanDerWaalsContact O-N 3.12Å
232L83.5Confident78.4Confident17 Ų1760.4 Ų60.49%0.08933%0.325CS..Hα-helixtrans-69.8-46.6175-70.8172.6000111A202 A210 H211 L214 T228 K229 E234 S235 E236A202-L232 HydrophobicContact CB-CD2 4.21Å; A210-L232 HydrophobicContact CB-CD2 3.83Å; H211-L232 HydrophobicContact CB-CD1 3.83Å; L214-L232 HydrophobicContact CD1-CD1 4.49Å; L214-L232 HydrophobicContact CD1-CD2 3.85Å; L214-L232 HydrophobicContact CD1-CG 3.85Å; T228-L232 HydrophobicContact CG2-CD1 4.13Å; T228-L232 WeakPolarHBondContact O-CG 3.49Å; T228-L232 PolarHBondContact O-N 3.15Å; K229-L232 PolarHBondContact O-N 3.22Å; L232-E234 VanDerWaalsContact C-N 3.31Å; L232-E234 PolarHBondContact O-N 3.11Å; L232-S235 WeakPolarHBondContact CA-OG 3.4Å; L232-S235 WeakPolarHBondContact O-CA 3.44Å; L232-S235 WeakPolarHBondContact O-CB 3.35Å; L232-S235 PolarHBondContact O-N 2.85Å; L232-S235 PolarHBondContact O-OG 3.09Å; L232-E236 WeakPolarHBondContact O-CG 3.33Å; L232-E236 PolarHBondContact O-N 3.45Å
233E85.3Confident77.3Confident94 Ų9459.7 Ų59.744%0.43932%0.317SS..Hα-helixtrans-57.2-43.3174.3-72.4174.2-177.400111.4K229 S235 E236 V237K229-E233 WeakPolarHBondContact CE-OE1 3.25Å; K229-E233 HydrophobicContact CG-CG 4.47Å; K229-E233 WeakPolarHBondContact O-CG 3.12Å; K229-E233 PolarHBondContact O-N 3.33Å; E233-S235 VanDerWaalsContact C-N 3.27Å; E233-S235 PolarHBondContact O-N 3.12Å; E233-E236 PolarHBondContact O-N 3.16Å; E233-V237 VanDerWaalsContact O-CG2 3.3Å; E233-V237 WeakPolarHBondContact O-CG2 3.46Å; E233-V237 PolarHBondContact O-N 3.49Å
234E82.2Confident76Confident66 Ų6663 Ų6331%0.30834%0.339SS..Hα-helixtrans-59.3-39.4174.3-169.1-166.9-175.700111.8A230 L232 R238 R515A230-E234 WeakPolarHBondContact O-CB 3.33Å; A230-E234 PolarHBondContact O-N 2.82Å; L232-E234 VanDerWaalsContact C-N 3.31Å; L232-E234 PolarHBondContact O-N 3.11Å; E234-R238 WeakPolarHBondContact O-CD 3.24Å; E234-R238 VanDerWaalsContact O-CG 3.24Å; E234-R238 WeakPolarHBondContact O-CG 3.44Å; E234-R238 PolarHBondContact O-N 2.93Å; E234-R238 IonicContact OE1-CZ 2.71Å; E234-R238 VanDerWaalsContact OE1-CZ 3.3Å; E234-R238 IonicContact OE1-NE 3.7Å; E234-R238 PolarHBondContact OE1-NE 2.76Å; E234-R238 IonicContact OE1-NH2 2.65Å; E234-R238 PolarHBondContact OE1-NH2 3.22Å; E234-R515 IonicContact OE1-NH1 3.28Å; E234-R515 IonicContact OE2-NH1 3.3Å; E234-R515 PolarHBondContact OE2-NH1 2.86Å
235S79.4Confident74.6Confident14 Ų1467.5 Ų67.510%0.09836%0.363CS..Hα-helixtrans-72-36.8-179.8750000113.1A202 L231 L232 E233 R238 K239A202-S235 WeakPolarHBondContact CB-OG 3.48Å; L231-S235 PolarHBondContact O-N 3.13Å; L231-S235 VanDerWaalsContact O-N 3.12Å; L232-S235 WeakPolarHBondContact CA-OG 3.4Å; L232-S235 WeakPolarHBondContact O-CA 3.44Å; L232-S235 WeakPolarHBondContact O-CB 3.35Å; L232-S235 PolarHBondContact O-N 2.85Å; L232-S235 PolarHBondContact O-OG 3.09Å; E233-S235 VanDerWaalsContact C-N 3.27Å; E233-S235 PolarHBondContact O-N 3.12Å; S235-R238 PolarHBondContact O-N 3.04Å; S235-K239 PolarHBondContact O-N 2.91Å
236E80.7Confident73Confident103 Ų10372.3 Ų72.348%0.48139%0.387SS..Hα-helixtrans-68.4-43.9177.3-72176.8178.300111.5L232 E233 R238 K239 S240L232-E236 WeakPolarHBondContact O-CG 3.33Å; L232-E236 PolarHBondContact O-N 3.45Å; E233-E236 PolarHBondContact O-N 3.16Å; E236-R238 VanDerWaalsContact C-N 3.27Å; E236-R238 PolarHBondContact O-N 3.08Å; E236-K239 PolarHBondContact O-N 3.36Å; E236-K239 VanDerWaalsContact O-N 3.15Å; E236-S240 PolarHBondContact O-N 2.91Å; E236-S240 PolarHBondContact O-OG 3.42Å
237V79Confident71.1Confident93 Ų9378.8 Ų78.856%0.56441%0.411SS*.Hα-helixtrans-60.8-37.4174.7173.40000111.5E233 S240 S241E233-V237 VanDerWaalsContact O-CG2 3.3Å; E233-V237 WeakPolarHBondContact O-CG2 3.46Å; E233-V237 PolarHBondContact O-N 3.49Å; V237-S240 PolarHBondContact O-OG 3.25Å; V237-S241 WeakPolarHBondContact O-CB 3.45Å; V237-S241 PolarHBondContact O-N 3.36Å; V237-S241 PolarHBondContact O-OG 3.03Å
238R72.9Confident69.3Low93 Ų9381.1 Ų81.135%0.35143%0.428SS..Hα-helixtrans-68.7-38.7175.6-75.1171-178.8-132.81.2112.2E234 S235 E236 S241 S242E234-R238 WeakPolarHBondContact O-CD 3.24Å; E234-R238 VanDerWaalsContact O-CG 3.24Å; E234-R238 WeakPolarHBondContact O-CG 3.44Å; E234-R238 PolarHBondContact O-N 2.93Å; E234-R238 IonicContact OE1-CZ 2.71Å; E234-R238 VanDerWaalsContact OE1-CZ 3.3Å; E234-R238 IonicContact OE1-NE 3.7Å; E234-R238 PolarHBondContact OE1-NE 2.76Å; E234-R238 IonicContact OE1-NH2 2.65Å; E234-R238 PolarHBondContact OE1-NH2 3.22Å; S235-R238 PolarHBondContact O-N 3.04Å; E236-R238 VanDerWaalsContact C-N 3.27Å; E236-R238 PolarHBondContact O-N 3.08Å; R238-S241 PolarHBondContact O-N 3.03Å; R238-S242 PolarHBondContact O-N 3.33Å
239K70.3Confident68Low59 Ų5984.3 Ų84.326%0.25746%0.461SS..Hα-helixtrans-65.5-49179-172.4175.3175.8171.80111.4N203 S235 E236 S241 S242 E243N203-K239 WeakPolarHBondContact O-CE 3.01Å; N203-K239 PolarHBondContact O-NZ 3.31Å; S235-K239 PolarHBondContact O-N 2.91Å; E236-K239 PolarHBondContact O-N 3.36Å; E236-K239 VanDerWaalsContact O-N 3.15Å; K239-S241 VanDerWaalsContact C-N 3.27Å; K239-S241 PolarHBondContact O-N 3Å; K239-S242 PolarHBondContact O-N 3.01Å; K239-S242 PolarHBondContact O-OG 3.4Å; K239-E243 WeakPolarHBondContact CE-OE1 3.13Å; K239-E243 PolarHBondContact O-N 3.23Å
240S69.9Low66.7Low67 Ų6785.7 Ų85.747%0.46947%0.467SS..Hα-helixtrans-60.6-36.1176.662.30000112.6E236 V237 S242E236-S240 PolarHBondContact O-N 2.91Å; E236-S240 PolarHBondContact O-OG 3.42Å; V237-S240 PolarHBondContact O-OG 3.25Å; S240-S242 VanDerWaalsContact C-N 3.27Å; S240-S242 PolarHBondContact O-N 2.86Å
241S65.2Low65.5Low68 Ų6890.8 Ų90.848%0.47648%0.482SS..Hα-helixtrans-67.1-25.2174-58.20000113.6V237 R238 K239 T244V237-S241 WeakPolarHBondContact O-CB 3.45Å; V237-S241 PolarHBondContact O-N 3.36Å; V237-S241 PolarHBondContact O-OG 3.03Å; R238-S241 PolarHBondContact O-N 3.03Å; K239-S241 VanDerWaalsContact C-N 3.27Å; K239-S241 PolarHBondContact O-N 3Å; S241-T244 PolarHBondContact O-OG1 2.95Å
242S60.9Low64.3Low65 Ų6593.3 Ų93.346%0.45549%0.491SS..Hα-helixtrans-86.5-34.2-177.870.20000114R238 K239 S240 T244 N245R238-S242 PolarHBondContact O-N 3.33Å; K239-S242 PolarHBondContact O-N 3.01Å; K239-S242 PolarHBondContact O-OG 3.4Å; S240-S242 VanDerWaalsContact C-N 3.27Å; S240-S242 PolarHBondContact O-N 2.86Å; S242-T244 VanDerWaalsContact C-N 3.26Å; S242-T244 PolarHBondContact O-N 3.31Å; S242-N245 PolarHBondContact O-N 2.87Å; S242-N245 VanDerWaalsContact O-N 3.11Å
243E56.1Low63.3Low125 Ų12596.1 Ų96.158%0.58451%0.506SS*.Hα-helixtrans-64.9-28.8179.5-72.3172.8-178.600112.3K239 N245K239-E243 WeakPolarHBondContact CE-OE1 3.13Å; K239-E243 PolarHBondContact O-N 3.23Å; E243-N245 PolarHBondContact O-N 2.91Å
244T53.7Low62.3Low112 Ų11295.9 Ų95.969%0.68751%0.507SS*.THydrogen-bonded Turntrans-69.1-9.5174.358.70000114.9S241 S242S241-T244 PolarHBondContact O-OG1 2.95Å; S242-T244 VanDerWaalsContact C-N 3.26Å; S242-T244 PolarHBondContact O-N 3.31Å
245N50Low61.6Low96 Ų96100 Ų10051%0.51352%0.524SS..  trans-126.965.7-177.5-82.2-68.5000110.8S242 E243 E247 K252S242-N245 PolarHBondContact O-N 2.87Å; S242-N245 VanDerWaalsContact O-N 3.11Å; E243-N245 PolarHBondContact O-N 2.91Å; N245-E247 VanDerWaalsContact C-N 3.29Å; N245-E247 PolarHBondContact O-N 3.24Å; N245-K252 PolarHBondContact ND2-NZ 3.08Å
246E47.9Very low61.4Low182 Ų182103.4 Ų103.485%0.8554%0.541SS*.  trans-67.5-16.9-175.4-99.9-177.3151.500115.4
247E41.9Very low61.1Low176 Ų176103.1 Ų103.182%0.82254%0.535SS*.SBendtrans-102.8117.5-172.6-67.5-169.6157.100114.1N245N245-E247 VanDerWaalsContact C-N 3.29Å; N245-E247 PolarHBondContact O-N 3.24Å
248S44.4Very low60.8Low66 Ų66100.5 Ų100.546%0.46252%0.517SS..  trans83.346.1167.4780000118.9K250 K252S248-K250 VanDerWaalsContact C-N 3.31Å; S248-K250 PolarHBondContact O-N 3.35Å; S248-K250 VanDerWaalsContact O-N 3.13Å; S248-K252 PolarHBondContact O-N 2.96Å
249G54.2Low60.7Low66 Ų6697.4 Ų97.468%0.6851%0.512SS*.THydrogen-bonded Turntrans-58-20.3-178.500000118.5
250K56.8Low60.8Low158 Ų158100.3 Ų100.369%0.68752%0.521SS*.THydrogen-bonded Turntrans-87-38.4-175.1-63.4-177.1-177.7178.80114.3S248S248-K250 VanDerWaalsContact C-N 3.31Å; S248-K250 PolarHBondContact O-N 3.35Å; S248-K250 VanDerWaalsContact O-N 3.13Å
251F58.6Low60.9Low146 Ų14697.8 Ų97.864%0.6450%0.502SS*.THydrogen-bonded Turntrans-97.6-4.3-179.7-69-83.9000113.4I253 L254 K255F251-I253 PolarHBondContact O-N 2.67Å; F251-L254 HydrophobicContact CD1-CD1 4.02Å; F251-L254 WeakPolarHBondContact O-CB 3.41Å; F251-L254 PolarHBondContact O-N 2.65Å; F251-K255 PolarHBondContact O-N 3.43Å
252K58.1Low60.9Low93 Ų9395 Ų9540%0.40448%0.482SS..Hα-helixtrans-60.2-29.4174.9-167170.6-177.8172.80112.7N245 S248 L254 K255 N256N245-K252 PolarHBondContact ND2-NZ 3.08Å; S248-K252 PolarHBondContact O-N 2.96Å; K252-L254 VanDerWaalsContact C-N 3.28Å; K252-L254 PolarHBondContact O-N 3.22Å; K252-K255 PolarHBondContact O-N 2.86Å; K252-K255 VanDerWaalsContact O-N 3.11Å; K252-N256 PolarHBondContact O-N 2.82Å
253I62.6Low61.4Low77 Ų7793.9 Ų93.940%0.39547%0.471SS..Hα-helixtrans-58.6-40.3171.5-69.2174.5000111.1F251 K255 N256 A259F251-I253 PolarHBondContact O-N 2.67Å; I253-K255 VanDerWaalsContact C-N 3.34Å; I253-N256 PolarHBondContact O-N 3.5Å; I253-A259 HydrophobicContact CG2-CB 3.92Å
254L63.4Low62.3Low88 Ų8891.8 Ų91.846%0.46146%0.463SS..Hα-helixtrans-73.6-27176.8-72.790000112.5F251 K252F251-L254 HydrophobicContact CD1-CD1 4.02Å; F251-L254 WeakPolarHBondContact O-CB 3.41Å; F251-L254 PolarHBondContact O-N 2.65Å; K252-L254 VanDerWaalsContact C-N 3.28Å; K252-L254 PolarHBondContact O-N 3.22Å
255K68.4Low63Low154 Ų15487.6 Ų87.667%0.6744%0.436SS*.Hα-helixtrans-74.1-34.9174.5-67.9-177.3177.7177.20112.1F251 K252 I253 R257F251-K255 PolarHBondContact O-N 3.43Å; K252-K255 PolarHBondContact O-N 2.86Å; K252-K255 VanDerWaalsContact O-N 3.11Å; I253-K255 VanDerWaalsContact C-N 3.34Å; K255-R257 PolarHBondContact O-N 2.92Å
256N73.6Confident63.6Low84 Ų8483.1 Ų83.145%0.44941%0.413SS..SBendtrans-72.9116.8178-172.6-15.9000110.3K252 I253 E258 A259 R260K252-N256 PolarHBondContact O-N 2.82Å; I253-N256 PolarHBondContact O-N 3.5Å; N256-E258 PolarHBondContact O-N 3.01Å; N256-E258 PolarHBondContact OD1-N 3.24Å; N256-E258 VanDerWaalsContact OD1-N 3.15Å; N256-A259 HydrophobicContact CB-CB 4.04Å; N256-A259 PolarHBondContact O-N 3.11Å; N256-R260 WeakPolarHBondContact O-CB 3.47Å; N256-R260 PolarHBondContact O-N 3.3Å
257R75.4Confident64.7Low98 Ų9876.4 Ų76.437%0.3739%0.386SS..Hα-helixtrans-53.7-40.3-178.3-173.3-179.9-176.6-172.3-1.9112.3K255 K261K255-R257 PolarHBondContact O-N 2.92Å; R257-K261 WeakPolarHBondContact O-CG 3.39Å; R257-K261 PolarHBondContact O-N 3.29Å
258E72.6Confident65.9Low37 Ų3769 Ų6917%0.17335%0.354CS..Hα-helixtrans-75.7-41.5-175.7-49-40.4154.100112.3N256 R260 K261 A262 L568N256-E258 PolarHBondContact O-N 3.01Å; N256-E258 PolarHBondContact OD1-N 3.24Å; N256-E258 VanDerWaalsContact OD1-N 3.15Å; E258-R260 VanDerWaalsContact C-N 3.31Å; E258-R260 PolarHBondContact O-N 2.64Å; E258-K261 PolarHBondContact O-N 2.62Å; E258-K261 IonicContact OE2-NZ 3.33Å; E258-A262 WeakPolarHBondContact O-CB 3.24Å; E258-A262 PolarHBondContact O-N 3.41Å; E258-L568 HydrophobicContact CB-CB 4.03Å; E258-L568 HydrophobicContact CB-CD1 3.95Å; E258-L568 VanDerWaalsContact CD-C 3.48Å; E258-L568 HydrophobicContact CG-CB 4.09Å; E258-L568 WeakPolarHBondContact OE2-CB 3.39Å
259A70.1Confident66.8Low29 Ų2966.1 Ų66.124%0.2433%0.334CS..Hα-helixtrans-67.4-35.8175.200000111.2I253 N256 L263I253-A259 HydrophobicContact CG2-CB 3.92Å; N256-A259 HydrophobicContact CB-CB 4.04Å; N256-A259 PolarHBondContact O-N 3.11Å; A259-L263 WeakPolarHBondContact O-CB 3.41Å; A259-L263 PolarHBondContact O-N 2.99Å
260R73.3Confident67.5Low120 Ų12063.3 Ų63.345%0.45330%0.303SS..Hα-helixtrans-65.1-44.2173.2-174.217666.9-169.72.4112.7N256 E258 L263 L264N256-R260 WeakPolarHBondContact O-CB 3.47Å; N256-R260 PolarHBondContact O-N 3.3Å; E258-R260 VanDerWaalsContact C-N 3.31Å; E258-R260 PolarHBondContact O-N 2.64Å; R260-L263 PolarHBondContact O-N 3.34Å; R260-L264 WeakPolarHBondContact O-CB 3.21Å; R260-L264 PolarHBondContact O-N 3.14Å
261K71.1Confident68Low14 Ų1461.2 Ų61.26%0.06130%0.297CS..Hα-helixtrans-59.8-49.9174.9-79.4178.9-177.9176.10110.9R257 E258 L263 L264 I265 L568 E570 W572R257-K261 WeakPolarHBondContact O-CG 3.39Å; R257-K261 PolarHBondContact O-N 3.29Å; E258-K261 PolarHBondContact O-N 2.62Å; E258-K261 IonicContact OE2-NZ 3.33Å; K261-L263 VanDerWaalsContact C-N 3.34Å; K261-L263 PolarHBondContact O-N 3.03Å; K261-L264 PolarHBondContact O-N 2.89Å; K261-I265 WeakPolarHBondContact O-CB 3.26Å; K261-I265 VanDerWaalsContact O-CG1 3.28Å; K261-I265 WeakPolarHBondContact O-CG1 3.32Å; K261-I265 PolarHBondContact O-N 3.39Å; K261-L568 HydrophobicContact CB-CD2 4.43Å; K261-L568 HydrophobicContact CD-CD2 4.49Å; K261-L568 PolarHBondContact NZ-O 3.11Å; K261-E570 PolarHBondContact NZ-O 3.45Å; K261-W572 HydrophobicContact CG-CE3 4.4Å; K261-W572 HydrophobicContact CG-CH2 3.68Å; K261-W572 HydrophobicContact CG-CZ2 3.93Å; K261-W572 HydrophobicContact CG-CZ3 3.93Å
262A66.8Low68.2Low8 Ų856.1 Ų56.17%0.06628%0.276CS..Hα-helixtrans-61.3-43.6179.600000111.6E258 I265 G266 C517 L568E258-A262 WeakPolarHBondContact O-CB 3.24Å; E258-A262 PolarHBondContact O-N 3.41Å; A262-I265 PolarHBondContact O-N 2.99Å; A262-G266 PolarHBondContact O-N 2.86Å; A262-C517 HydrophobicContact CB-CB 3.99Å; A262-C517 PolarHBondContact O-SG 3.24Å; A262-L568 HydrophobicContact CB-CD1 4.36Å
263L71.6Confident68.6Low42 Ų4252.3 Ų52.322%0.2226%0.26CS..Hα-helixtrans-58.9-50.4175.5-171.972.7000111.4A259 R260 K261 I265 G266 C267 C520 L524A259-L263 WeakPolarHBondContact O-CB 3.41Å; A259-L263 PolarHBondContact O-N 2.99Å; R260-L263 PolarHBondContact O-N 3.34Å; K261-L263 VanDerWaalsContact C-N 3.34Å; K261-L263 PolarHBondContact O-N 3.03Å; L263-I265 PolarHBondContact O-N 3.16Å; L263-G266 PolarHBondContact O-N 2.85Å; L263-C267 PolarHBondContact O-N 3.48Å; L263-C267 PolarHBondContact O-SG 3.4Å; L263-C520 HydrophobicContact CD1-CB 3.82Å; L263-L524 HydrophobicContact CD1-CD1 3.35Å; L263-L524 HydrophobicContact CG-CD1 4.22Å
264L74.5Confident69Low81 Ų8150.7 Ų50.742%0.42425%0.25SS..Hα-helixtrans-61.6-45.5-179.2-176.467.2000112R260 K261 G266 C267 A268 F548R260-L264 WeakPolarHBondContact O-CB 3.21Å; R260-L264 PolarHBondContact O-N 3.14Å; K261-L264 PolarHBondContact O-N 2.89Å; L264-G266 VanDerWaalsContact C-N 3.3Å; L264-G266 PolarHBondContact O-N 2.88Å; L264-C267 PolarHBondContact O-N 3.34Å; L264-A268 VanDerWaalsContact O-CB 3.27Å; L264-A268 WeakPolarHBondContact O-CB 3.26Å; L264-A268 PolarHBondContact O-N 3.45Å; L264-F548 HydrophobicContact CD2-CZ 4.25Å
265I67.1Low69.1Low24 Ų2452.7 Ų52.712%0.12326%0.261CS..Hα-helixtrans-61.2-42.8176-67.5167000110K261 A262 L263 A268 L269 L553K261-I265 WeakPolarHBondContact O-CB 3.26Å; K261-I265 VanDerWaalsContact O-CG1 3.28Å; K261-I265 WeakPolarHBondContact O-CG1 3.32Å; K261-I265 PolarHBondContact O-N 3.39Å; A262-I265 PolarHBondContact O-N 2.99Å; L263-I265 PolarHBondContact O-N 3.16Å; I265-A268 PolarHBondContact O-N 3.34Å; I265-L269 HydrophobicContact CG2-CD1 3.86Å; I265-L269 HydrophobicContact CG2-CG 4.42Å; I265-L269 WeakPolarHBondContact O-CB 3.49Å; I265-L269 VanDerWaalsContact O-CG 3.3Å; I265-L269 WeakPolarHBondContact O-CG 3.5Å; I265-L269 PolarHBondContact O-N 2.92Å; I265-L553 HydrophobicContact CG2-CD1 4.39Å
266G62.8Low69.1Low2 Ų246.4 Ų46.42%0.02124%0.237CC..Hα-helixtrans-61.8-49.5177.300000113.6A262 L263 L264 Q270A262-G266 PolarHBondContact O-N 2.86Å; L263-G266 PolarHBondContact O-N 2.85Å; L264-G266 VanDerWaalsContact C-N 3.3Å; L264-G266 PolarHBondContact O-N 2.88Å; G266-Q270 WeakPolarHBondContact O-CG 3.12Å; G266-Q270 PolarHBondContact O-N 3.47Å
267C70.7Confident68.9Low42 Ų4243.8 Ų43.828%0.28423%0.229SC..Hα-helixtrans-57.7-48.5174.4-62.80000111.4L263 L264 L269 Q270 M271 L524L263-C267 PolarHBondContact O-N 3.48Å; L263-C267 PolarHBondContact O-SG 3.4Å; L264-C267 PolarHBondContact O-N 3.34Å; C267-L269 PolarHBondContact O-N 3.09Å; C267-Q270 PolarHBondContact O-N 2.78Å; C267-M271 WeakPolarHBondContact O-CB 3.49Å; C267-M271 PolarHBondContact O-N 2.69Å; C267-L524 HydrophobicContact CB-CD2 4.45Å; C267-L524 WeakPolarHBondContact SG-CD1 3.29Å; C267-L524 WeakPolarHBondContact SG-CD2 3.26Å
268A68.9Low68.8Low19 Ų1939.1 Ų39.116%0.15721%0.212CC..Hα-helixtrans-63-44.6-176.700000111.7L264 I265 Q270 M271 I272L264-A268 VanDerWaalsContact O-CB 3.27Å; L264-A268 WeakPolarHBondContact O-CB 3.26Å; L264-A268 PolarHBondContact O-N 3.45Å; I265-A268 PolarHBondContact O-N 3.34Å; A268-Q270 VanDerWaalsContact C-N 3.31Å; A268-Q270 PolarHBondContact O-N 3.05Å; A268-M271 PolarHBondContact O-N 3.25Å; A268-I272 WeakPolarHBondContact O-CD1 3.36Å; A268-I272 VanDerWaalsContact O-CG1 3.22Å; A268-I272 WeakPolarHBondContact O-CG1 3.5Å; A268-I272 PolarHBondContact O-N 3.37Å
269L63.2Low69Low6 Ų638.7 Ų38.73%0.03121%0.21CC..Hα-helixtrans-60.3-40.7176.8-75.7169.9000112.1I265 C267 Q273 M510 F521 M549I265-L269 HydrophobicContact CG2-CD1 3.86Å; I265-L269 HydrophobicContact CG2-CG 4.42Å; I265-L269 WeakPolarHBondContact O-CB 3.49Å; I265-L269 VanDerWaalsContact O-CG 3.3Å; I265-L269 WeakPolarHBondContact O-CG 3.5Å; I265-L269 PolarHBondContact O-N 2.92Å; C267-L269 PolarHBondContact O-N 3.09Å; L269-Q273 PolarHBondContact O-N 2.83Å; L269-M510 HydrophobicContact CD1-CB 4.22Å; L269-M510 HydrophobicContact CD2-CE 4.26Å; L269-F521 HydrophobicContact CB-CE2 4.22Å; L269-F521 HydrophobicContact CB-CZ 4.39Å; L269-F521 HydrophobicContact CD1-CE2 4.1Å; L269-M549 HydrophobicContact CD2-CE 3.64Å; L269-M549 HydrophobicContact CD2-SD 4.01Å
270Q67.5Low69.4Low8 Ų840.4 Ų40.44%0.03722%0.22CC..Hα-helixtrans-72.8-40177.9-68.4-67.612.800112.7G266 C267 A268 I272 Q273 Q274 F521G266-Q270 WeakPolarHBondContact O-CG 3.12Å; G266-Q270 PolarHBondContact O-N 3.47Å; C267-Q270 PolarHBondContact O-N 2.78Å; A268-Q270 VanDerWaalsContact C-N 3.31Å; A268-Q270 PolarHBondContact O-N 3.05Å; Q270-I272 VanDerWaalsContact C-N 3.31Å; Q270-I272 PolarHBondContact O-N 3.26Å; Q270-Q273 WeakPolarHBondContact O-CA 3.41Å; Q270-Q273 WeakPolarHBondContact O-CB 3.36Å; Q270-Q273 PolarHBondContact O-N 3.46Å; Q270-Q273 VanDerWaalsContact O-N 3.09Å; Q270-Q274 VanDerWaalsContact O-CG 3.3Å; Q270-Q274 WeakPolarHBondContact O-CG 3.47Å; Q270-Q274 PolarHBondContact O-N 2.78Å; Q270-F521 HydrophobicContact CG-CE1 4.38Å; Q270-F521 HydrophobicContact CG-CZ 4.28Å
271M67.2Low69.8Low113 Ų11335.4 Ų35.456%0.55720%0.203SC*.Hα-helixtrans-58-45.7174.8-176.3174.866.200110.8C267 A268 Q273 Q274 L275C267-M271 WeakPolarHBondContact O-CB 3.49Å; C267-M271 PolarHBondContact O-N 2.69Å; A268-M271 PolarHBondContact O-N 3.25Å; M271-Q273 VanDerWaalsContact C-N 3.31Å; M271-Q273 PolarHBondContact O-N 3.43Å; M271-Q274 PolarHBondContact O-N 2.78Å; M271-L275 HydrophobicContact CG-CD1 3.85Å; M271-L275 HydrophobicContact CG-CG 4.34Å; M271-L275 WeakPolarHBondContact O-CB 3.31Å; M271-L275 VanDerWaalsContact O-CG 3.26Å; M271-L275 WeakPolarHBondContact O-CG 3.3Å; M271-L275 PolarHBondContact O-N 2.75Å
272I63.2Low70.4Confident40 Ų4035.2 Ų35.221%0.20520%0.202CC..Hα-helixtrans-67-33.9176.6-61.7163.6000111.2A268 Q270 S276 S545 M549A268-I272 WeakPolarHBondContact O-CD1 3.36Å; A268-I272 VanDerWaalsContact O-CG1 3.22Å; A268-I272 WeakPolarHBondContact O-CG1 3.5Å; A268-I272 PolarHBondContact O-N 3.37Å; Q270-I272 VanDerWaalsContact C-N 3.31Å; Q270-I272 PolarHBondContact O-N 3.26Å; I272-S276 PolarHBondContact O-N 3.4Å; I272-S545 VanDerWaalsContact CD1-OG 3.29Å; I272-S545 WeakPolarHBondContact CD1-OG 3.33Å; I272-M549 HydrophobicContact CD1-CE 3.29Å
273Q67.7Low71.3Confident13 Ų1335.4 Ų35.46%0.06120%0.201CC..Hα-helixtrans-63.8-41.9173.3-176.2174.6108.400111.6L269 Q270 M271 S276 F500L269-Q273 PolarHBondContact O-N 2.83Å; Q270-Q273 WeakPolarHBondContact O-CA 3.41Å; Q270-Q273 WeakPolarHBondContact O-CB 3.36Å; Q270-Q273 PolarHBondContact O-N 3.46Å; Q270-Q273 VanDerWaalsContact O-N 3.09Å; M271-Q273 VanDerWaalsContact C-N 3.31Å; M271-Q273 PolarHBondContact O-N 3.43Å; Q273-S276 WeakPolarHBondContact O-CB 3.28Å; Q273-S276 PolarHBondContact O-OG 3.22Å; Q273-F500 HydrophobicContact CG-CE2 4.27Å; Q273-F500 HydrophobicContact CG-CZ 3.75Å
274Q70.6Confident72Confident42 Ų4235.4 Ų35.420%0.19620%0.199CC..Hα-helixtrans-79.7-36.7-175.7-66.7-79.121.500112.5Q270 M271 S276 G277 N279 P528Q270-Q274 VanDerWaalsContact O-CG 3.3Å; Q270-Q274 WeakPolarHBondContact O-CG 3.47Å; Q270-Q274 PolarHBondContact O-N 2.78Å; M271-Q274 PolarHBondContact O-N 2.78Å; Q274-S276 PolarHBondContact O-N 2.9Å; Q274-S276 VanDerWaalsContact O-N 3.11Å; Q274-G277 PolarHBondContact O-N 2.95Å; Q274-N279 PolarHBondContact NE2-ND2 2.99Å; Q274-N279 PolarHBondContact OE1-ND2 3.35Å; Q274-P528 HydrophobicContact CB-CB 4.45Å; Q274-P528 HydrophobicContact CB-CG 4.28Å; Q274-P528 HydrophobicContact CG-CB 4.35Å; Q274-P528 HydrophobicContact CG-CG 3.7Å
275L66Low72.7Confident131 Ų13131.7 Ų31.769%0.68618%0.18SC*.Hα-helixtrans-62.4-14.3172.5-74.6172.4000113.5M271 G277M271-L275 HydrophobicContact CG-CD1 3.85Å; M271-L275 HydrophobicContact CG-CG 4.34Å; M271-L275 WeakPolarHBondContact O-CB 3.31Å; M271-L275 VanDerWaalsContact O-CG 3.26Å; M271-L275 WeakPolarHBondContact O-CG 3.3Å; M271-L275 PolarHBondContact O-N 2.75Å; L275-G277 PolarHBondContact O-N 2.95Å
276S68Low73.9Confident22 Ų2230.7 Ų30.715%0.15418%0.175CC..THydrogen-bonded Turntrans-64.5-13.8169.774.20000113.5I272 Q273 Q274 V278 F500I272-S276 PolarHBondContact O-N 3.4Å; Q273-S276 WeakPolarHBondContact O-CB 3.28Å; Q273-S276 PolarHBondContact O-OG 3.22Å; Q274-S276 PolarHBondContact O-N 2.9Å; Q274-S276 VanDerWaalsContact O-N 3.11Å; S276-V278 PolarHBondContact O-N 3.44Å; S276-V278 PolarHBondContact OG-N 3.11Å; S276-F500 WeakPolarHBondContact OG-CE2 3.21Å
277G68.9Low75Confident28 Ų2831.1 Ų31.129%0.28918%0.178SC..  trans75.32.9179.300000114.5Q274 L275 N279 C280 V281Q274-G277 PolarHBondContact O-N 2.95Å; L275-G277 PolarHBondContact O-N 2.95Å; G277-N279 VanDerWaalsContact C-N 3.29Å; G277-N279 PolarHBondContact O-N 3.27Å; G277-C280 WeakPolarHBondContact O-CB 3.16Å; G277-C280 PolarHBondContact O-N 3.33Å; G277-C280 VanDerWaalsContact O-N 3.09Å; G277-V281 PolarHBondContact O-N 3.41Å
278V72.9Confident75.8Confident1 Ų130.4 Ų30.41%0.00617%0.171CC..Hα-helixtrans-56.2-41-174.571.50000113.3S276 C280 V281 M282 F496 F500S276-V278 PolarHBondContact O-N 3.44Å; S276-V278 PolarHBondContact OG-N 3.11Å; V278-C280 VanDerWaalsContact C-N 3.35Å; V278-V281 PolarHBondContact O-N 3.48Å; V278-M282 HydrophobicContact CG2-CG 4.34Å; V278-M282 WeakPolarHBondContact O-CB 3.39Å; V278-M282 WeakPolarHBondContact O-CG 3.15Å; V278-M282 PolarHBondContact O-N 2.59Å; V278-F496 HydrophobicContact CB-CE1 4.29Å; V278-F496 HydrophobicContact CB-CZ 4.37Å; V278-F496 HydrophobicContact CG2-CE1 4.18Å; V278-F500 HydrophobicContact CB-CD1 4.02Å; V278-F500 HydrophobicContact CB-CD2 4.25Å; V278-F500 HydrophobicContact CB-CE1 3.9Å; V278-F500 HydrophobicContact CB-CE2 4.17Å; V278-F500 HydrophobicContact CB-CG 4.17Å; V278-F500 HydrophobicContact CB-CZ 3.99Å; V278-F500 HydrophobicContact CG1-CD1 4.19Å; V278-F500 HydrophobicContact CG1-CE1 3.54Å; V278-F500 HydrophobicContact CG1-CE2 4Å; V278-F500 HydrophobicContact CG1-CZ 3.45Å; V278-F500 VanDerWaalsContact CG1-CZ 3.45Å; V278-F500 HydrophobicContact CG2-CD1 3.55Å; V278-F500 HydrophobicContact CG2-CE1 3.75Å; V278-F500 HydrophobicContact CG2-CG 3.95Å; V278-F500 HydrophobicContact CG2-CZ 4.36Å
279N77.8Confident76.8Confident27 Ų2729.6 Ų29.614%0.14416%0.164CC..Hα-helixtrans-70.1-37.3-177.2-77.5-26.7000110.5Q274 G277 M282 F283Q274-N279 PolarHBondContact NE2-ND2 2.99Å; Q274-N279 PolarHBondContact OE1-ND2 3.35Å; G277-N279 VanDerWaalsContact C-N 3.29Å; G277-N279 PolarHBondContact O-N 3.27Å; N279-M282 PolarHBondContact O-N 3.5Å; N279-F283 HydrophobicContact CB-CE2 3.78Å; N279-F283 HydrophobicContact CB-CZ 3.79Å; N279-F283 WeakPolarHBondContact O-CD2 3.2Å; N279-F283 WeakPolarHBondContact O-CE2 3.35Å; N279-F283 WeakPolarHBondContact O-CG 2.96Å; N279-F283 PolarHBondContact O-N 2.88Å
280C78.8Confident78Confident65 Ų6530 Ų3044%0.43917%0.165SC..Hα-helixtrans-59.9-50.7172.9-176.80000110.8G277 V278 M282 F283 Y284G277-C280 WeakPolarHBondContact O-CB 3.16Å; G277-C280 PolarHBondContact O-N 3.33Å; G277-C280 VanDerWaalsContact O-N 3.09Å; V278-C280 VanDerWaalsContact C-N 3.35Å; C280-M282 VanDerWaalsContact C-N 3.25Å; C280-M282 PolarHBondContact O-N 3.22Å; C280-F283 PolarHBondContact O-N 3.11Å; C280-F283 VanDerWaalsContact O-N 3.16Å; C280-Y284 WeakPolarHBondContact O-CD2 3.4Å; C280-Y284 PolarHBondContact O-N 3.09Å
281V80.2Confident78.7Confident16 Ų1631.8 Ų31.810%0.09717%0.174CC..Hα-helixtrans-56.3-41176.7172.70000111.7G277 V278 A285 I288 L493 F496G277-V281 PolarHBondContact O-N 3.41Å; V278-V281 PolarHBondContact O-N 3.48Å; V281-A285 VanDerWaalsContact O-CA 3.26Å; V281-A285 WeakPolarHBondContact O-CA 3.22Å; V281-A285 WeakPolarHBondContact O-CB 3.43Å; V281-A285 PolarHBondContact O-N 2.96Å; V281-I288 HydrophobicContact CG1-CD1 4.5Å; V281-L493 HydrophobicContact CG1-CD2 3.16Å; V281-F496 HydrophobicContact CB-CD1 4.45Å; V281-F496 HydrophobicContact CB-CE1 3.93Å; V281-F496 HydrophobicContact CG1-CD1 4.02Å; V281-F496 HydrophobicContact CG1-CE1 4Å; V281-F496 HydrophobicContact CG2-CD1 4.4Å; V281-F496 HydrophobicContact CG2-CE1 3.79Å; V281-F496 HydrophobicContact CG2-CZ 4.34Å
282M83.7Confident79.6Confident10 Ų1026.4 Ų26.45%0.04915%0.148CC..Hα-helixtrans-72.3-37.3178.3-68.8-63.2-60.600113.3V278 N279 C280 V497V278-M282 HydrophobicContact CG2-CG 4.34Å; V278-M282 WeakPolarHBondContact O-CB 3.39Å; V278-M282 WeakPolarHBondContact O-CG 3.15Å; V278-M282 PolarHBondContact O-N 2.59Å; N279-M282 PolarHBondContact O-N 3.5Å; C280-M282 VanDerWaalsContact C-N 3.25Å; C280-M282 PolarHBondContact O-N 3.22Å; M282-V497 HydrophobicContact SD-CG2 4.03Å
283F86.4Confident80.6Confident11 Ų1124.8 Ų24.85%0.04814%0.141CC..Hα-helixtrans-69.2-35.8177.9-59.5-31.8000111.8M32 S36 V57 L61 N279 C280M32-F283 HydrophobicContact CB-CE1 4.14Å; M32-F283 HydrophobicContact CE-CE1 3.62Å; M32-F283 HydrophobicContact CE-CE2 4.39Å; M32-F283 HydrophobicContact CE-CZ 3.28Å; M32-F283 VanDerWaalsContact O-CD1 3.29Å; M32-F283 WeakPolarHBondContact O-CD1 3.4Å; M32-F283 HydrophobicContact SD-CE1 4.34Å; M32-F283 HydrophobicContact SD-CZ 4.41Å; S36-F283 WeakPolarHBondContact CA-O 3.29Å; S36-F283 WeakPolarHBondContact CB-O 3.19Å; S36-F283 PolarHBondContact OG-O 3.44Å; V57-F283 HydrophobicContact CG1-CB 4Å; V57-F283 HydrophobicContact CG1-CD2 3.48Å; V57-F283 VanDerWaalsContact CG1-CD2 3.48Å; V57-F283 HydrophobicContact CG1-CE2 4.22Å; V57-F283 HydrophobicContact CG1-CG 3.89Å; L61-F283 HydrophobicContact CD1-CE2 3.85Å; L61-F283 HydrophobicContact CD1-CZ 4.28Å; L61-F283 HydrophobicContact CD2-CE2 4Å; L61-F283 HydrophobicContact CD2-CZ 4.43Å; N279-F283 HydrophobicContact CB-CE2 3.78Å; N279-F283 HydrophobicContact CB-CZ 3.79Å; N279-F283 WeakPolarHBondContact O-CD2 3.2Å; N279-F283 WeakPolarHBondContact O-CE2 3.35Å; N279-F283 WeakPolarHBondContact O-CG 2.96Å; N279-F283 PolarHBondContact O-N 2.88Å; C280-F283 PolarHBondContact O-N 3.11Å; C280-F283 VanDerWaalsContact O-N 3.16Å
284Y86.5Confident81.5Confident43 Ų4325.1 Ų25.117%0.16914%0.143CC..THydrogen-bonded Turntrans-10012.3179.1-64-74.4000113.1E54 V57 C280 A286 S287 I288E54-Y284 WeakPolarHBondContact CA-OH 3.36Å; V57-Y284 HydrophobicContact CG2-CE1 4.29Å; C280-Y284 WeakPolarHBondContact O-CD2 3.4Å; C280-Y284 PolarHBondContact O-N 3.09Å; Y284-A286 PolarHBondContact O-N 2.86Å; Y284-S287 CarbonylContact O-C 3.57Å; Y284-S287 WeakPolarHBondContact O-CA 3.3Å; Y284-S287 WeakPolarHBondContact O-CB 3.15Å; Y284-S287 PolarHBondContact O-N 3.41Å; Y284-I288 VanDerWaalsContact O-CG1 3.24Å; Y284-I288 WeakPolarHBondContact O-CG1 3.39Å; Y284-I288 PolarHBondContact O-N 3.2Å
285A89.3Confident82.1Confident3 Ų328.4 Ų28.43%0.02516%0.157CC..Hα-helixtrans-51.8-51.9-174.400000113.1S36 V281 I288 M289S36-A285 PolarHBondContact OG-N 2.83Å; S36-A285 VanDerWaalsContact OG-N 3.13Å; V281-A285 VanDerWaalsContact O-CA 3.26Å; V281-A285 WeakPolarHBondContact O-CA 3.22Å; V281-A285 WeakPolarHBondContact O-CB 3.43Å; V281-A285 PolarHBondContact O-N 2.96Å; A285-I288 PolarHBondContact O-N 3.39Å; A285-M289 WeakPolarHBondContact O-CG 3.22Å; A285-M289 PolarHBondContact O-N 3.35Å
286A90.9Very high83Confident2 Ų226.9 Ų26.92%0.01715%0.149CC..Hα-helixtrans-67-36.8178.600000112.4S36 L40 Y284 M289 K290 M301S36-A286 WeakPolarHBondContact O-CB 3.27Å; S36-A286 PolarHBondContact OG-N 3.41Å; L40-A286 HydrophobicContact CD1-CB 3.8Å; L40-A286 HydrophobicContact CG-CB 4.19Å; Y284-A286 PolarHBondContact O-N 2.86Å; A286-M289 PolarHBondContact O-N 3.11Å; A286-K290 PolarHBondContact O-N 3.42Å; A286-M301 HydrophobicContact CB-CG 4.34Å
287S87.4Confident83.9Confident12 Ų1227.9 Ų27.98%0.08415%0.153CC..Hα-helixtrans-62.9-41.1173-54.70000112.4Y284 M289 K290 M291Y284-S287 CarbonylContact O-C 3.57Å; Y284-S287 WeakPolarHBondContact O-CA 3.3Å; Y284-S287 WeakPolarHBondContact O-CB 3.15Å; Y284-S287 PolarHBondContact O-N 3.41Å; S287-M289 VanDerWaalsContact C-N 3.33Å; S287-K290 PolarHBondContact O-N 2.85Å; S287-M291 WeakPolarHBondContact O-CB 3.34Å; S287-M291 WeakPolarHBondContact O-CE 3.37Å; S287-M291 WeakPolarHBondContact O-CG 3.4Å; S287-M291 PolarHBondContact O-N 3.19Å
288I87.2Confident84.9Confident27 Ų2727.6 Ų27.614%0.13815%0.146CC..Hα-helixtrans-63-41.5175.7-66.2163.2000109.9V281 Y284 A285 M291 S292 F361 L493V281-I288 HydrophobicContact CG1-CD1 4.5Å; Y284-I288 VanDerWaalsContact O-CG1 3.24Å; Y284-I288 WeakPolarHBondContact O-CG1 3.39Å; Y284-I288 PolarHBondContact O-N 3.2Å; A285-I288 PolarHBondContact O-N 3.39Å; I288-M291 HydrophobicContact CG1-CE 4.34Å; I288-M291 PolarHBondContact O-N 3.29Å; I288-S292 PolarHBondContact O-N 2.98Å; I288-F361 HydrophobicContact CG2-CE2 3.98Å; I288-F361 HydrophobicContact CG2-CZ 3.94Å; I288-L493 HydrophobicContact CB-CD1 4.4Å; I288-L493 HydrophobicContact CG2-CD1 3.84Å
289M89.4Confident85.7Confident2 Ų230.3 Ų30.31%0.0116%0.163CC..Hα-helixtrans-65.6-38.5174.1-63.2-55.6-176.200112.2A285 A286 S287 S292 I294 A300 L303 A490 L493A285-M289 WeakPolarHBondContact O-CG 3.22Å; A285-M289 PolarHBondContact O-N 3.35Å; A286-M289 PolarHBondContact O-N 3.11Å; S287-M289 VanDerWaalsContact C-N 3.33Å; M289-S292 PolarHBondContact O-N 3.2Å; M289-S292 PolarHBondContact O-OG 2.93Å; M289-I294 HydrophobicContact CB-CD1 3.89Å; M289-I294 WeakPolarHBondContact O-CB 3.49Å; M289-I294 WeakPolarHBondContact O-CD1 3.33Å; M289-A300 HydrophobicContact CB-CB 3.88Å; M289-L303 HydrophobicContact CE-CB 3.95Å; M289-L303 WeakPolarHBondContact CE-O 3.3Å; M289-L303 HydrophobicContact CG-CB 3.94Å; M289-L303 HydrophobicContact SD-CB 4Å; M289-A490 HydrophobicContact CE-CB 3.77Å; M289-A490 HydrophobicContact SD-CB 3.62Å; M289-L493 HydrophobicContact CE-CB 4.26Å; M289-L493 HydrophobicContact CE-CD1 3.26Å; M289-L493 HydrophobicContact CE-CG 4.37Å; M289-L493 HydrophobicContact SD-CD1 3.76Å
290K87.5Confident86.2Confident13 Ų1329 Ų296%0.05716%0.156CC..Hα-helixtrans-64.3-48.9176-174.975.8-170.8-167.20110.8L40 A286 S287 S292 G293 I294 K295 D297 A300 Y480L40-K290 HydrophobicContact CD2-CB 3.72Å; L40-K290 HydrophobicContact CD2-CG 4.1Å; A286-K290 PolarHBondContact O-N 3.42Å; S287-K290 PolarHBondContact O-N 2.85Å; K290-S292 PolarHBondContact O-N 3.37Å; K290-G293 PolarHBondContact O-N 2.7Å; K290-G293 VanDerWaalsContact O-N 3.08Å; K290-I294 WeakPolarHBondContact CD-O 3.26Å; K290-K295 PolarHBondContact NZ-O 3.13Å; K290-D297 VanDerWaalsContact CD-OD1 3.31Å; K290-D297 WeakPolarHBondContact CD-OD1 3.27Å; K290-D297 WeakPolarHBondContact CE-OD1 3.27Å; K290-D297 IonicContact NZ-OD1 3.25Å; K290-D297 PolarHBondContact NZ-OD1 2.6Å; K290-A300 HydrophobicContact CB-CB 4.42Å; K290-Y480 VanDerWaalsContact CE-CD1 3.44Å; K290-Y480 WeakPolarHBondContact O-CB 3.46Å
291M84Confident86.9Confident47 Ų4726.1 Ų26.123%0.23214%0.136CC..Hα-helixtrans-63.6-24.5178.6-70-177-65.900112.8S287 I288 G293 F361 Y411S287-M291 WeakPolarHBondContact O-CB 3.34Å; S287-M291 WeakPolarHBondContact O-CE 3.37Å; S287-M291 WeakPolarHBondContact O-CG 3.4Å; S287-M291 PolarHBondContact O-N 3.19Å; I288-M291 HydrophobicContact CG1-CE 4.34Å; I288-M291 PolarHBondContact O-N 3.29Å; M291-G293 PolarHBondContact O-N 3.31Å; M291-G293 VanDerWaalsContact O-N 3.17Å; M291-F361 HydrophobicContact CB-CE1 4.32Å; M291-Y411 HydrophobicContact SD-CD1 4.19Å; M291-Y411 HydrophobicContact SD-CE1 3.98Å
292S84.8Confident87.5Confident0 Ų030.5 Ų30.50%015%0.151CC..THydrogen-bonded Turntrans-68.8-8.717575.40000114.1I288 M289 K290 S486I288-S292 PolarHBondContact O-N 2.98Å; M289-S292 PolarHBondContact O-N 3.2Å; M289-S292 PolarHBondContact O-OG 2.93Å; K290-S292 PolarHBondContact O-N 3.37Å; S292-S486 WeakPolarHBondContact CB-O 2.98Å; S292-S486 WeakPolarHBondContact O-CA 3.47Å; S292-S486 WeakPolarHBondContact O-CB 3.46Å; S292-S486 PolarHBondContact O-OG 3.12Å; S292-S486 PolarHBondContact OG-O 3.46Å
293G84.3Confident87.8Confident6 Ų632.5 Ų32.56%0.06216%0.161CC..THydrogen-bonded Turntrans110.512.1179.500000114.9K290 M291 K295 C481 S486K290-G293 PolarHBondContact O-N 2.7Å; K290-G293 VanDerWaalsContact O-N 3.08Å; M291-G293 PolarHBondContact O-N 3.31Å; M291-G293 VanDerWaalsContact O-N 3.17Å; G293-K295 PolarHBondContact O-N 3.12Å; G293-C481 WeakPolarHBondContact CA-O 3.21Å; G293-S486 WeakPolarHBondContact CA-OG 3.49Å
294I87.3Confident87.9Confident20 Ų2032.4 Ų32.410%0.10316%0.164CC..  trans-79.7107.7177.3-63.6161.5000109M289 K290 N296 T299 A300 L303M289-I294 HydrophobicContact CB-CD1 3.89Å; M289-I294 WeakPolarHBondContact O-CB 3.49Å; M289-I294 WeakPolarHBondContact O-CD1 3.33Å; K290-I294 WeakPolarHBondContact CD-O 3.26Å; I294-N296 PolarHBondContact O-N 3.03Å; I294-T299 HydrophobicContact CG2-CG2 3.92Å; I294-A300 HydrophobicContact CG2-CB 4.18Å; I294-L303 HydrophobicContact CD1-CD1 3.32Å; I294-L303 HydrophobicContact CG1-CD1 4.42Å
295K82.8Confident88.2Confident111 Ų11130.7 Ų30.748%0.48316%0.158SC..  trans-58.6-44.4-179.1177.4162.5-172.4168.70113.7K290 G293 Y480K290-K295 PolarHBondContact NZ-O 3.13Å; G293-K295 PolarHBondContact O-N 3.12Å; K295-Y480 HydrophobicContact CB-CD2 4.36Å; K295-Y480 HydrophobicContact CB-CE2 3.73Å; K295-Y480 HydrophobicContact CD-CE2 4.3Å; K295-Y480 VanDerWaalsContact CD-OH 3.27Å; K295-Y480 WeakPolarHBondContact CD-OH 3.3Å; K295-Y480 VanDerWaalsContact CE-OH 3.28Å; K295-Y480 WeakPolarHBondContact CE-OH 3.33Å; K295-Y480 HydrophobicContact CG-CE1 4.27Å; K295-Y480 HydrophobicContact CG-CE2 4Å; K295-Y480 VanDerWaalsContact CG-OH 3.3Å; K295-Y480 WeakPolarHBondContact CG-OH 3.32Å
296N85.9Confident88.2Confident98 Ų9833.5 Ų33.552%0.52417%0.172SC..  trans-84.4121.4-175.1-70.6-12000112.1I294 S298 T299 A300I294-N296 PolarHBondContact O-N 3.03Å; N296-S298 VanDerWaalsContact C-N 3.29Å; N296-S298 PolarHBondContact O-N 3.26Å; N296-T299 WeakPolarHBondContact CB-OG1 3.42Å; N296-T299 PolarHBondContact O-N 3.38Å; N296-T299 VanDerWaalsContact O-N 3.11Å; N296-A300 PolarHBondContact O-N 2.94Å
297D86.1Confident88Confident44 Ų4433.5 Ų33.524%0.23517%0.172CC..Hα-helixtrans-57.5-42.7176.1-71.6-2.4000111.6L40 K290 T299 A300 M301L40-D297 HydrophobicContact CD1-CB 4.4Å; K290-D297 VanDerWaalsContact CD-OD1 3.31Å; K290-D297 WeakPolarHBondContact CD-OD1 3.27Å; K290-D297 WeakPolarHBondContact CE-OD1 3.27Å; K290-D297 IonicContact NZ-OD1 3.25Å; K290-D297 PolarHBondContact NZ-OD1 2.6Å; D297-T299 VanDerWaalsContact C-N 3.31Å; D297-T299 PolarHBondContact O-N 3.33Å; D297-A300 WeakPolarHBondContact O-CB 3.25Å; D297-A300 PolarHBondContact O-N 3.3Å; D297-M301 HydrophobicContact CB-CE 4.47Å; D297-M301 VanDerWaalsContact O-CG 3.32Å; D297-M301 WeakPolarHBondContact O-CG 3.42Å; D297-M301 PolarHBondContact O-N 3.44Å
298S89Confident88Confident21 Ų2133 Ų3315%0.14717%0.169CC..Hα-helixtrans-59-42176.9-50.60000112.2S164 N296 M301 W302S164-S298 VanDerWaalsContact OG-CA 3.31Å; S164-S298 WeakPolarHBondContact OG-CA 3.47Å; S164-S298 WeakPolarHBondContact OG-CB 3.37Å; S164-S298 PolarHBondContact OG-OG 3.28Å; N296-S298 VanDerWaalsContact C-N 3.29Å; N296-S298 PolarHBondContact O-N 3.26Å; S298-M301 PolarHBondContact O-N 2.84Å; S298-W302 PolarHBondContact O-N 3.27Å
299T90.1Very high88.2Confident58 Ų5834.6 Ų34.636%0.35618%0.177SC..Hα-helixtrans-68.1-40.8177.2-550000111I294 N296 D297 M301 W302 L303I294-T299 HydrophobicContact CG2-CG2 3.92Å; N296-T299 WeakPolarHBondContact CB-OG1 3.42Å; N296-T299 PolarHBondContact O-N 3.38Å; N296-T299 VanDerWaalsContact O-N 3.11Å; D297-T299 VanDerWaalsContact C-N 3.31Å; D297-T299 PolarHBondContact O-N 3.33Å; T299-M301 VanDerWaalsContact C-N 3.31Å; T299-M301 PolarHBondContact O-N 3.22Å; T299-W302 PolarHBondContact O-N 3.46Å; T299-L303 HydrophobicContact CG2-CD1 4.3Å; T299-L303 WeakPolarHBondContact O-CG 3.21Å; T299-L303 PolarHBondContact O-N 2.97Å
300A89.5Confident88.1Confident0 Ų034.8 Ų34.80%018%0.178CC..Hα-helixtrans-61-39.8174.500000111.8L40 M289 K290 I294 N296 D297 G304L40-A300 HydrophobicContact CD1-CB 4.14Å; M289-A300 HydrophobicContact CB-CB 3.88Å; K290-A300 HydrophobicContact CB-CB 4.42Å; I294-A300 HydrophobicContact CG2-CB 4.18Å; N296-A300 PolarHBondContact O-N 2.94Å; D297-A300 WeakPolarHBondContact O-CB 3.25Å; D297-A300 PolarHBondContact O-N 3.3Å; A300-G304 PolarHBondContact O-N 3.35Å
301M91.7Very high88Confident4 Ų434.2 Ų34.22%0.0218%0.176CC..Hα-helixtrans-67.8-41.7174.7-66.5-173.3-159.500112.7G37 L40 I41 A160 A161 M176 A286 D297 S298 T299 G304 S305G37-M301 WeakPolarHBondContact O-CE 3.42Å; L40-M301 HydrophobicContact CB-CE 4.07Å; L40-M301 HydrophobicContact CD1-CE 3.98Å; L40-M301 HydrophobicContact CD1-CG 3.94Å; I41-M301 HydrophobicContact CD1-CE 4.17Å; I41-M301 HydrophobicContact CG1-CE 4.19Å; A160-M301 HydrophobicContact CB-SD 4.08Å; A161-M301 HydrophobicContact CB-CB 3.83Å; M176-M301 HydrophobicContact CE-CE 4.28Å; M176-M301 HydrophobicContact CE-SD 4.12Å; A286-M301 HydrophobicContact CB-CG 4.34Å; D297-M301 HydrophobicContact CB-CE 4.47Å; D297-M301 VanDerWaalsContact O-CG 3.32Å; D297-M301 WeakPolarHBondContact O-CG 3.42Å; D297-M301 PolarHBondContact O-N 3.44Å; S298-M301 PolarHBondContact O-N 2.84Å; T299-M301 VanDerWaalsContact C-N 3.31Å; T299-M301 PolarHBondContact O-N 3.22Å; M301-G304 PolarHBondContact O-N 3.4Å; M301-S305 WeakPolarHBondContact O-CB 3.49Å; M301-S305 PolarHBondContact O-N 3.29Å
302W93.4Very high88.3Confident109 Ų10933.9 Ų33.941%0.41317%0.173SC..Hα-helixtrans-60.7-44.9174.5-85.6116.5000112.1I158 A161 Y165 S298 T299 S305 L306I158-W302 HydrophobicContact CG2-CH2 4.29Å; I158-W302 HydrophobicContact CG2-CZ3 4.48Å; A161-W302 HydrophobicContact CB-CB 4.43Å; A161-W302 HydrophobicContact CB-CD2 3.61Å; A161-W302 HydrophobicContact CB-CE3 4.19Å; A161-W302 HydrophobicContact CB-CG 3.71Å; A161-W302 HydrophobicContact CB-CZ2 4.26Å; Y165-W302 AromaticContact CE2-NE1 3.61Å; Y165-W302 AromaticContact CZ-NE1 3.87Å; Y165-W302 PolarHBondContact OH-NE1 3.45Å; S298-W302 PolarHBondContact O-N 3.27Å; T299-W302 PolarHBondContact O-N 3.46Å; W302-S305 WeakPolarHBondContact O-CB 3.47Å; W302-S305 PolarHBondContact O-N 3.17Å; W302-L306 PolarHBondContact O-N 3.06Å; W302-L306 VanDerWaalsContact O-N 3.15Å
303L90.8Very high88.5Confident51 Ų5137 Ų3727%0.26719%0.189SC..Hα-helixtrans-67.3-37.2175.5-69.9177.9000111.7M289 I294 T299 S305 L306M289-L303 HydrophobicContact CE-CB 3.95Å; M289-L303 WeakPolarHBondContact CE-O 3.3Å; M289-L303 HydrophobicContact CG-CB 3.94Å; M289-L303 HydrophobicContact SD-CB 4Å; I294-L303 HydrophobicContact CD1-CD1 3.32Å; I294-L303 HydrophobicContact CG1-CD1 4.42Å; T299-L303 HydrophobicContact CG2-CD1 4.3Å; T299-L303 WeakPolarHBondContact O-CG 3.21Å; T299-L303 PolarHBondContact O-N 2.97Å; L303-S305 VanDerWaalsContact C-N 3.31Å; L303-S305 PolarHBondContact O-N 3.05Å; L303-L306 VanDerWaalsContact O-CB 3.28Å; L303-L306 WeakPolarHBondContact O-CB 3.42Å; L303-L306 PolarHBondContact O-N 3.26Å
304G88.3Confident88.5Confident10 Ų1036.8 Ų36.810%0.10319%0.186CC..Hα-helixtrans-59.1-42169.900000112.2A300 M301 L306 S307 G308A300-G304 PolarHBondContact O-N 3.35Å; M301-G304 PolarHBondContact O-N 3.4Å; G304-L306 VanDerWaalsContact C-N 3.26Å; G304-L306 PolarHBondContact O-N 2.94Å; G304-S307 WeakPolarHBondContact O-CB 3.39Å; G304-S307 PolarHBondContact O-N 3.02Å; G304-S307 VanDerWaalsContact O-N 3.11Å; G304-S307 PolarHBondContact O-OG 3.07Å; G304-G308 PolarHBondContact O-N 3.27Å
305S91.7Very high88.1Confident6 Ų635.9 Ų35.94%0.04218%0.182CC..Hα-helixtrans-61.8-32.1176.4-171.90000112.9I158 M301 W302 L303 S307 G308 M309I158-S305 PolarHBondContact N-OG 2.74Å; M301-S305 WeakPolarHBondContact O-CB 3.49Å; M301-S305 PolarHBondContact O-N 3.29Å; W302-S305 WeakPolarHBondContact O-CB 3.47Å; W302-S305 PolarHBondContact O-N 3.17Å; L303-S305 VanDerWaalsContact C-N 3.31Å; L303-S305 PolarHBondContact O-N 3.05Å; S305-S307 VanDerWaalsContact C-N 3.25Å; S305-S307 PolarHBondContact O-N 2.78Å; S305-G308 CarbonylContact O-C 3.33Å; S305-G308 WeakPolarHBondContact O-CA 3.39Å; S305-G308 PolarHBondContact O-N 3.49Å; S305-M309 PolarHBondContact O-N 2.94Å
306L90.6Very high88.3Confident63 Ų6332 Ų3233%0.3317%0.17SC..Hα-helixtrans-59.8-36174.8-174.663.4000112W302 L303 G304 M309 T310 V494W302-L306 PolarHBondContact O-N 3.06Å; W302-L306 VanDerWaalsContact O-N 3.15Å; L303-L306 VanDerWaalsContact O-CB 3.28Å; L303-L306 WeakPolarHBondContact O-CB 3.42Å; L303-L306 PolarHBondContact O-N 3.26Å; G304-L306 VanDerWaalsContact C-N 3.26Å; G304-L306 PolarHBondContact O-N 2.94Å; L306-M309 HydrophobicContact CD1-CE 3.41Å; L306-M309 VanDerWaalsContact CD1-CE 3.41Å; L306-M309 HydrophobicContact CD1-SD 4.32Å; L306-M309 PolarHBondContact O-N 2.91Å; L306-T310 WeakPolarHBondContact O-CB 3.49Å; L306-T310 PolarHBondContact O-N 3.37Å; L306-T310 PolarHBondContact O-OG1 3.11Å; L306-V494 HydrophobicContact CD2-CG2 3.76Å; L306-V494 HydrophobicContact CG-CG2 3.87Å
307S86Confident88.1Confident2 Ų230.8 Ų30.81%0.01416%0.163CC..Hα-helixtrans-65.4-39.7172.779.20000111.7G304 S305 T310 N311 V497G304-S307 WeakPolarHBondContact O-CB 3.39Å; G304-S307 PolarHBondContact O-N 3.02Å; G304-S307 VanDerWaalsContact O-N 3.11Å; G304-S307 PolarHBondContact O-OG 3.07Å; S305-S307 VanDerWaalsContact C-N 3.25Å; S305-S307 PolarHBondContact O-N 2.78Å; S307-T310 WeakPolarHBondContact O-CB 3.22Å; S307-T310 PolarHBondContact O-N 2.87Å; S307-N311 PolarHBondContact O-N 2.98Å; S307-V497 WeakPolarHBondContact O-CG1 3.46Å
308G87.7Confident87.5Confident2 Ų229.1 Ų29.12%0.02116%0.156CC..Hα-helixtrans-59.8-48.1171.900000113G304 S305 T310 N311 F312G304-G308 PolarHBondContact O-N 3.27Å; S305-G308 CarbonylContact O-C 3.33Å; S305-G308 WeakPolarHBondContact O-CA 3.39Å; S305-G308 PolarHBondContact O-N 3.49Å; G308-T310 VanDerWaalsContact C-N 3.3Å; G308-T310 PolarHBondContact O-N 3.37Å; G308-N311 WeakPolarHBondContact O-CB 3.22Å; G308-N311 PolarHBondContact O-N 3.43Å; G308-F312 PolarHBondContact O-N 3.09Å
309M91.8Very high86.7Confident59 Ų5928.7 Ų28.729%0.29115%0.153SC..Hα-helixtrans-57.2-46.5176.5-172.9-175.983.300111.2W154 S305 L306 N311 F312 I313W154-M309 HydrophobicContact CD2-CB 4.18Å; W154-M309 HydrophobicContact CD2-CG 4.23Å; W154-M309 HydrophobicContact CG-CB 4.14Å; W154-M309 HydrophobicContact CH2-CG 4.41Å; W154-M309 HydrophobicContact CZ2-CB 4.42Å; W154-M309 HydrophobicContact CZ2-CG 3.8Å; W154-M309 HydrophobicContact CZ2-SD 4.17Å; S305-M309 PolarHBondContact O-N 2.94Å; L306-M309 HydrophobicContact CD1-CE 3.41Å; L306-M309 VanDerWaalsContact CD1-CE 3.41Å; L306-M309 HydrophobicContact CD1-SD 4.32Å; L306-M309 PolarHBondContact O-N 2.91Å; M309-N311 VanDerWaalsContact C-N 3.34Å; M309-N311 PolarHBondContact O-N 3.29Å; M309-F312 PolarHBondContact O-N 2.88Å; M309-I313 HydrophobicContact CE-CD1 4.18Å; M309-I313 HydrophobicContact CG-CD1 3.81Å; M309-I313 HydrophobicContact CG-CG1 4.41Å; M309-I313 WeakPolarHBondContact O-CG1 3.29Å; M309-I313 PolarHBondContact O-N 2.88Å; M309-I313 HydrophobicContact SD-CD1 4.4Å
310T87.5Confident86.1Confident7 Ų732.3 Ų32.34%0.04316%0.161CC..Hα-helixtrans-60.2-44.4179.4-61.90000111.7L306 S307 G308 G314 V494 V497 L498L306-T310 WeakPolarHBondContact O-CB 3.49Å; L306-T310 PolarHBondContact O-N 3.37Å; L306-T310 PolarHBondContact O-OG1 3.11Å; S307-T310 WeakPolarHBondContact O-CB 3.22Å; S307-T310 PolarHBondContact O-N 2.87Å; G308-T310 VanDerWaalsContact C-N 3.3Å; G308-T310 PolarHBondContact O-N 3.37Å; T310-G314 PolarHBondContact O-N 3.18Å; T310-V494 HydrophobicContact CG2-CG1 4.23Å; T310-V497 HydrophobicContact CG2-CB 4.09Å; T310-V497 HydrophobicContact CG2-CG1 3.91Å; T310-L498 HydrophobicContact CG2-CB 4.04Å; T310-L498 HydrophobicContact CG2-CD1 4.37Å; T310-L498 HydrophobicContact CG2-CD2 3.32Å; T310-L498 HydrophobicContact CG2-CG 3.24Å
311N85.6Confident85.2Confident1 Ų136.7 Ų36.71%0.00518%0.184CC..Hα-helixtrans-63.4-42.3176-170.614000111.3Q153 S307 G308 M309 T315 V497Q153-N311 PolarHBondContact OE1-ND2 2.87Å; S307-N311 PolarHBondContact O-N 2.98Å; G308-N311 WeakPolarHBondContact O-CB 3.22Å; G308-N311 PolarHBondContact O-N 3.43Å; M309-N311 VanDerWaalsContact C-N 3.34Å; M309-N311 PolarHBondContact O-N 3.29Å; N311-T315 WeakPolarHBondContact O-CB 3.42Å; N311-T315 PolarHBondContact O-N 3.32Å; N311-T315 PolarHBondContact O-OG1 3.49Å; N311-T315 PolarHBondContact OD1-OG1 3.43Å; N311-V497 HydrophobicContact CB-CG1 3.54Å
312F89.3Confident83.8Confident39 Ų3937.8 Ų37.817%0.17119%0.19CC..Hα-helixtrans-63.5-52.1177.1170.2-109.4000112.1V147 L151 W154 G308 M309 G314 T315 A316V147-F312 HydrophobicContact CG1-CD2 4.31Å; V147-F312 HydrophobicContact CG1-CE2 3.71Å; L151-F312 HydrophobicContact CB-CD2 3.81Å; L151-F312 HydrophobicContact CB-CE2 3.74Å; L151-F312 HydrophobicContact CD1-CD2 4.21Å; L151-F312 HydrophobicContact CD1-CE1 4.26Å; L151-F312 HydrophobicContact CD1-CE2 3.89Å; L151-F312 HydrophobicContact CD1-CZ 3.91Å; L151-F312 HydrophobicContact CG-CE2 4.28Å; W154-F312 HydrophobicContact CB-CB 4.41Å; W154-F312 HydrophobicContact CE3-CB 4.37Å; W154-F312 AromaticContact CE3-CD1 3.46Å; W154-F312 HydrophobicContact CE3-CD1 3.46Å; W154-F312 VanDerWaalsContact CE3-CD1 3.46Å; W154-F312 AromaticContact CE3-CE1 3.96Å; W154-F312 HydrophobicContact CE3-CE1 3.96Å; W154-F312 HydrophobicContact CE3-CG 4.02Å; W154-F312 AromaticContact CZ3-CD1 3.62Å; W154-F312 HydrophobicContact CZ3-CD1 3.62Å; W154-F312 AromaticContact CZ3-CE1 3.73Å; W154-F312 HydrophobicContact CZ3-CE1 3.73Å; G308-F312 PolarHBondContact O-N 3.09Å; M309-F312 PolarHBondContact O-N 2.88Å; F312-G314 PolarHBondContact O-N 2.79Å; F312-T315 PolarHBondContact O-N 3Å; F312-A316 VanDerWaalsContact O-CB 3.3Å; F312-A316 WeakPolarHBondContact O-CB 3.45Å; F312-A316 PolarHBondContact O-N 3.28Å
313I89.8Confident82.5Confident67 Ų6735.4 Ų35.434%0.34418%0.184SC..Hα-helixtrans-60.3-48.1179.3-68.2172.8000110.3M309 T315 A316 I317M309-I313 HydrophobicContact CE-CD1 4.18Å; M309-I313 HydrophobicContact CG-CD1 3.81Å; M309-I313 HydrophobicContact CG-CG1 4.41Å; M309-I313 WeakPolarHBondContact O-CG1 3.29Å; M309-I313 PolarHBondContact O-N 2.88Å; M309-I313 HydrophobicContact SD-CD1 4.4Å; I313-T315 VanDerWaalsContact C-N 3.29Å; I313-T315 PolarHBondContact O-N 3.46Å; I313-A316 PolarHBondContact O-N 3.16Å; I313-I317 HydrophobicContact CG2-CD1 3.47Å; I313-I317 VanDerWaalsContact CG2-CD1 3.47Å; I313-I317 HydrophobicContact CG2-CG1 4.13Å; I313-I317 WeakPolarHBondContact O-CB 3.33Å; I313-I317 VanDerWaalsContact O-CG1 3.31Å; I313-I317 WeakPolarHBondContact O-CG1 3.44Å; I313-I317 PolarHBondContact O-N 3.38Å
314G82.8Confident81.3Confident0 Ų042.2 Ų42.20%021%0.205CC..Hα-helixtrans-62-37.6178.100000112.4T310 F312 G318T310-G314 PolarHBondContact O-N 3.18Å; F312-G314 PolarHBondContact O-N 2.79Å; G314-G318 PolarHBondContact O-N 2.62Å
315T80.4Confident80Confident1 Ų143.8 Ų43.81%0.00622%0.218CC..Hα-helixtrans-71.4-39.8177.1-59.40000111.9V147 T150 N311 F312 I313 S319 I505V147-T315 HydrophobicContact CG2-CG2 3.9Å; T150-T315 HydrophobicContact CG2-CG2 4.25Å; N311-T315 WeakPolarHBondContact O-CB 3.42Å; N311-T315 PolarHBondContact O-N 3.32Å; N311-T315 PolarHBondContact O-OG1 3.49Å; N311-T315 PolarHBondContact OD1-OG1 3.43Å; F312-T315 PolarHBondContact O-N 3Å; I313-T315 VanDerWaalsContact C-N 3.29Å; I313-T315 PolarHBondContact O-N 3.46Å; T315-S319 VanDerWaalsContact O-CB 3.23Å; T315-S319 WeakPolarHBondContact O-CB 3.37Å; T315-S319 PolarHBondContact O-N 2.99Å; T315-S319 PolarHBondContact O-OG 2.77Å; T315-I505 HydrophobicContact CG2-CD1 4.29Å; T315-I505 WeakPolarHBondContact O-CD1 3.26Å
316A85.5Confident78Confident29 Ų2944.9 Ų44.924%0.2423%0.23CC..Hα-helixtrans-68.7-51178.300000111.5V147 F312 I313 S319 Y320V147-A316 HydrophobicContact CG1-CB 4.27Å; F312-A316 VanDerWaalsContact O-CB 3.3Å; F312-A316 WeakPolarHBondContact O-CB 3.45Å; F312-A316 PolarHBondContact O-N 3.28Å; I313-A316 PolarHBondContact O-N 3.16Å; A316-S319 PolarHBondContact O-N 3.07Å; A316-Y320 WeakPolarHBondContact O-CB 3.41Å; A316-Y320 PolarHBondContact O-N 2.98Å
317I82.5Confident76Confident74 Ų7446.7 Ų46.738%0.37923%0.232SC..Hα-helixtrans-61.4-47.7177.2-67.3176.5000109.9I313 S319 Y320 L321 F502I313-I317 HydrophobicContact CG2-CD1 3.47Å; I313-I317 VanDerWaalsContact CG2-CD1 3.47Å; I313-I317 HydrophobicContact CG2-CG1 4.13Å; I313-I317 WeakPolarHBondContact O-CB 3.33Å; I313-I317 VanDerWaalsContact O-CG1 3.31Å; I313-I317 WeakPolarHBondContact O-CG1 3.44Å; I313-I317 PolarHBondContact O-N 3.38Å; I317-S319 VanDerWaalsContact C-N 3.26Å; I317-S319 PolarHBondContact O-N 3.48Å; I317-Y320 PolarHBondContact O-N 3.33Å; I317-L321 HydrophobicContact CG2-CD1 3.6Å; I317-L321 HydrophobicContact CG2-CG 3.97Å; I317-L321 WeakPolarHBondContact O-CB 3.15Å; I317-L321 VanDerWaalsContact O-CG 3.31Å; I317-L321 WeakPolarHBondContact O-CG 3.37Å; I317-L321 PolarHBondContact O-N 3.19Å; I317-F502 HydrophobicContact CG2-CE1 3.99Å
318G72.7Confident73.9Confident8 Ų855.1 Ų55.18%0.08226%0.264CS..Hα-helixtrans-59.5-39.7178.100000111.7G314 L322 I505G314-G318 PolarHBondContact O-N 2.62Å; G318-L322 WeakPolarHBondContact O-CB 3.26Å; G318-L322 PolarHBondContact O-N 2.87Å; G318-I505 VanDerWaalsContact CA-CD1 3.49Å
319S73.9Confident72Confident13 Ų1359.1 Ų59.19%0.09128%0.284CS..Hα-helixtrans-70.2-39.3-179.5-61.40000110.9T315 A316 I317 E323T315-S319 VanDerWaalsContact O-CB 3.23Å; T315-S319 WeakPolarHBondContact O-CB 3.37Å; T315-S319 PolarHBondContact O-N 2.99Å; T315-S319 PolarHBondContact O-OG 2.77Å; A316-S319 PolarHBondContact O-N 3.07Å; I317-S319 VanDerWaalsContact C-N 3.26Å; I317-S319 PolarHBondContact O-N 3.48Å; S319-E323 PolarHBondContact O-N 3.45Å
320Y76.9Confident69.9Low133 Ų13357 Ų5752%0.52228%0.275SS..Hα-helixtrans-65.5-50.6175.4176.5-97.3000112.4A316 I317 L322 E323 R324A316-Y320 WeakPolarHBondContact O-CB 3.41Å; A316-Y320 PolarHBondContact O-N 2.98Å; I317-Y320 PolarHBondContact O-N 3.33Å; Y320-L322 VanDerWaalsContact C-N 3.26Å; Y320-L322 PolarHBondContact O-N 3.21Å; Y320-E323 PolarHBondContact O-N 3.47Å; Y320-R324 PolarHBondContact O-N 3.41Å; Y320-R324 VanDerWaalsContact O-N 3.11Å; Y320-R324 PolarHBondContact OH-NH1 3.31Å
321L69.8Low67.8Low92 Ų9258.6 Ų58.648%0.48229%0.286SS..Hα-helixtrans-60.9-37.4177.9-70.4178.2000111.2I317 E323 R324 A325I317-L321 HydrophobicContact CG2-CD1 3.6Å; I317-L321 HydrophobicContact CG2-CG 3.97Å; I317-L321 WeakPolarHBondContact O-CB 3.15Å; I317-L321 VanDerWaalsContact O-CG 3.31Å; I317-L321 WeakPolarHBondContact O-CG 3.37Å; I317-L321 PolarHBondContact O-N 3.19Å; L321-E323 PolarHBondContact O-N 3.48Å; L321-R324 PolarHBondContact O-N 3.12Å; L321-A325 VanDerWaalsContact O-CB 3.25Å; L321-A325 WeakPolarHBondContact O-CB 3.44Å; L321-A325 PolarHBondContact O-N 3.24Å
322L63Low65.6Low27 Ų2761.7 Ų61.714%0.14130%0.302CS..Hα-helixtrans-64.7-38.1179.2-174.473.1000112.9G318 Y320 A330 I505 R509G318-L322 WeakPolarHBondContact O-CB 3.26Å; G318-L322 PolarHBondContact O-N 2.87Å; Y320-L322 VanDerWaalsContact C-N 3.26Å; Y320-L322 PolarHBondContact O-N 3.21Å; L322-A330 HydrophobicContact CD1-CB 3.76Å; L322-I505 HydrophobicContact CB-CG2 3.97Å; L322-I505 HydrophobicContact CD1-CG2 4.39Å; L322-I505 HydrophobicContact CD2-CG2 3.64Å; L322-I505 HydrophobicContact CG-CG2 4.19Å; L322-R509 PolarHBondContact O-NH1 3.34Å; L322-R509 VanDerWaalsContact O-NH1 3.13Å
323E66Low63.4Low60 Ų6067.8 Ų67.828%0.2832%0.324SS..Hα-helixtrans-75.1-34.2177.9-69.7-63.796.800111.4F140 S319 Y320 L321 R509F140-E323 WeakPolarHBondContact CA-OE2 3.48Å; F140-E323 HydrophobicContact CB-CG 4.21Å; F140-E323 WeakPolarHBondContact CB-OE2 3.26Å; F140-E323 HydrophobicContact CD2-CG 4.2Å; F140-E323 PolarHBondContact N-OE2 3.36Å; S319-E323 PolarHBondContact O-N 3.45Å; Y320-E323 PolarHBondContact O-N 3.47Å; L321-E323 PolarHBondContact O-N 3.48Å; E323-R509 IonicContact OE1-NH2 3.33Å; E323-R509 PolarHBondContact OE1-NH2 3.03Å
324R66Low61.3Low193 Ų19366 Ų6673%0.72832%0.317SS*.Hα-helixtrans-78.4-39179.9-162.9172.3-178.4179.1-4.2114.1Y320 L321 G326Y320-R324 PolarHBondContact O-N 3.41Å; Y320-R324 VanDerWaalsContact O-N 3.11Å; Y320-R324 PolarHBondContact OH-NH1 3.31Å; L321-R324 PolarHBondContact O-N 3.12Å; R324-G326 PolarHBondContact O-N 2.69Å
325A60.3Low59.3Low44 Ų4469 Ų6936%0.36434%0.335SS..SBendtrans-68.7-12.5178.800000113L321 I329L321-A325 VanDerWaalsContact O-CB 3.25Å; L321-A325 WeakPolarHBondContact O-CB 3.44Å; L321-A325 PolarHBondContact O-N 3.24Å; A325-I329 HydrophobicContact CB-CB 4.26Å; A325-I329 HydrophobicContact CB-CG2 4.5Å; A325-I329 WeakPolarHBondContact O-CB 3.31Å; A325-I329 VanDerWaalsContact O-CD1 3.3Å; A325-I329 WeakPolarHBondContact O-CD1 3.34Å; A325-I329 VanDerWaalsContact O-CG1 3.26Å; A325-I329 WeakPolarHBondContact O-CG1 3.33Å
326G49Very low57.4Low29 Ų2971.9 Ų71.930%0.29936%0.36SS..Hα-helixtrans72152.4-176.600000113R324 R328 I329R324-G326 PolarHBondContact O-N 2.69Å; G326-R328 PolarHBondContact O-N 2.95Å; G326-I329 PolarHBondContact O-N 3.33Å
327R48.8Very low55.5Low100 Ų10073.6 Ų73.638%0.37738%0.38SS..Hα-helixtrans-46.5-36.2177.3-74.4174.8-174.1-1507112.7V331R327-V331 VanDerWaalsContact O-CG2 3.31Å; R327-V331 WeakPolarHBondContact O-CG2 3.39Å; R327-V331 PolarHBondContact O-N 3.25Å
328R43.5Very low53.5Low179 Ų17974.5 Ų74.568%0.67539%0.385SS*.Hα-helixtrans-73.8-39.3-172.3-162.5178.7175.5177.9-2.5113.2G326 L332G326-R328 PolarHBondContact O-N 2.95Å; R328-L332 HydrophobicContact CG-CD1 3.73Å; R328-L332 HydrophobicContact CG-CG 4.25Å; R328-L332 WeakPolarHBondContact O-CB 3.17Å; R328-L332 WeakPolarHBondContact O-CD1 3.14Å; R328-L332 WeakPolarHBondContact O-CG 3.35Å; R328-L332 PolarHBondContact O-N 3.37Å
329I47Very low52.2Low87 Ų8775.3 Ų75.345%0.44639%0.391SS..Hα-helixtrans-75.3-38.4-179.5-60.7179.8000111A325 G326 V331 L332 W333A325-I329 HydrophobicContact CB-CB 4.26Å; A325-I329 HydrophobicContact CB-CG2 4.5Å; A325-I329 WeakPolarHBondContact O-CB 3.31Å; A325-I329 VanDerWaalsContact O-CD1 3.3Å; A325-I329 WeakPolarHBondContact O-CD1 3.34Å; A325-I329 VanDerWaalsContact O-CG1 3.26Å; A325-I329 WeakPolarHBondContact O-CG1 3.33Å; G326-I329 PolarHBondContact O-N 3.33Å; I329-V331 VanDerWaalsContact C-N 3.33Å; I329-V331 PolarHBondContact O-N 2.92Å; I329-L332 CarbonylContact O-C 3.57Å; I329-L332 PolarHBondContact O-N 3.3Å; I329-W333 WeakPolarHBondContact O-CB 3.32Å; I329-W333 PolarHBondContact O-N 2.9Å
330A47.5Very low50.7Low13 Ų1378.4 Ų78.411%0.10741%0.407CS..Hα-helixtrans-60.8-43174.800000111.5L322 S334 F506L322-A330 HydrophobicContact CD1-CB 3.76Å; A330-S334 PolarHBondContact O-N 2.96Å; A330-S334 PolarHBondContact O-OG 3.43Å; A330-F506 VanDerWaalsContact O-CZ 3.24Å; A330-F506 WeakPolarHBondContact O-CZ 3.31Å
331V43.6Very low49.2Very low42 Ų4277.2 Ų77.226%0.25541%0.408SS..Hα-helixtrans-72.4-38.9174.5175.90000111.7R327 I329 W333 S334 T335R327-V331 VanDerWaalsContact O-CG2 3.31Å; R327-V331 WeakPolarHBondContact O-CG2 3.39Å; R327-V331 PolarHBondContact O-N 3.25Å; I329-V331 VanDerWaalsContact C-N 3.33Å; I329-V331 PolarHBondContact O-N 2.92Å; V331-W333 VanDerWaalsContact C-N 3.33Å; V331-W333 PolarHBondContact O-N 3.22Å; V331-S334 CarbonylContact O-C 3.53Å; V331-S334 VanDerWaalsContact O-CA 3.3Å; V331-S334 WeakPolarHBondContact O-CA 3.32Å; V331-S334 VanDerWaalsContact O-CB 3.27Å; V331-S334 WeakPolarHBondContact O-CB 3.48Å; V331-S334 PolarHBondContact O-N 2.64Å; V331-T335 HydrophobicContact CG1-CG2 4.06Å; V331-T335 WeakPolarHBondContact O-CG2 3.32Å; V331-T335 PolarHBondContact O-N 2.81Å; V331-T335 PolarHBondContact O-OG1 3.31Å; V331-T335 VanDerWaalsContact O-OG1 3.1Å
332L39.4Very low48.1Very low66 Ų6673.7 Ų73.735%0.34639%0.391SS..Hα-helixtrans-65.6-32.5176-77.9168000112.3R328 I329 S334 T335 A336R328-L332 HydrophobicContact CG-CD1 3.73Å; R328-L332 HydrophobicContact CG-CG 4.25Å; R328-L332 WeakPolarHBondContact O-CB 3.17Å; R328-L332 WeakPolarHBondContact O-CD1 3.14Å; R328-L332 WeakPolarHBondContact O-CG 3.35Å; R328-L332 PolarHBondContact O-N 3.37Å; I329-L332 CarbonylContact O-C 3.57Å; I329-L332 PolarHBondContact O-N 3.3Å; L332-S334 VanDerWaalsContact C-N 3.3Å; L332-T335 PolarHBondContact O-N 2.78Å; L332-A336 WeakPolarHBondContact O-CA 3.44Å; L332-A336 WeakPolarHBondContact O-CB 3.4Å; L332-A336 PolarHBondContact O-N 3.3Å
333W43.1Very low47.5Very low167 Ų16774 Ų7463%0.63340%0.398SS*.Hα-helixtrans-67.7-32.3168.2-94.242.1000111.6I329 V331 F506I329-W333 WeakPolarHBondContact O-CB 3.32Å; I329-W333 PolarHBondContact O-N 2.9Å; V331-W333 VanDerWaalsContact C-N 3.33Å; V331-W333 PolarHBondContact O-N 3.22Å; W333-F506 HydrophobicContact CB-CE2 4.16Å; W333-F506 HydrophobicContact CB-CZ 3.73Å
334S44.9Very low46.7Very low30 Ų3075 Ų7521%0.2140%0.404CS..Hα-helixtrans-76.3-18.4172.2-54.70000114.8A330 V331 L332 A339 F506A330-S334 PolarHBondContact O-N 2.96Å; A330-S334 PolarHBondContact O-OG 3.43Å; V331-S334 CarbonylContact O-C 3.53Å; V331-S334 VanDerWaalsContact O-CA 3.3Å; V331-S334 WeakPolarHBondContact O-CA 3.32Å; V331-S334 VanDerWaalsContact O-CB 3.27Å; V331-S334 WeakPolarHBondContact O-CB 3.48Å; V331-S334 PolarHBondContact O-N 2.64Å; L332-S334 VanDerWaalsContact C-N 3.3Å; S334-A339 WeakPolarHBondContact O-CB 3.4Å; S334-F506 WeakPolarHBondContact OG-CE1 3.32Å; S334-F506 VanDerWaalsContact OG-CZ 3.29Å; S334-F506 WeakPolarHBondContact OG-CZ 3.4Å
335T41.8Very low46.1Very low62 Ų6268.6 Ų68.638%0.3839%0.392SS..Hα-helixtrans-116.8-32.1-175.658.90000114V331 L332 G337V331-T335 HydrophobicContact CG1-CG2 4.06Å; V331-T335 WeakPolarHBondContact O-CG2 3.32Å; V331-T335 PolarHBondContact O-N 2.81Å; V331-T335 PolarHBondContact O-OG1 3.31Å; V331-T335 VanDerWaalsContact O-OG1 3.1Å; L332-T335 PolarHBondContact O-N 2.78Å; T335-G337 VanDerWaalsContact C-N 3.29Å; T335-G337 PolarHBondContact O-N 2.63Å
336A40.8Very low45.8Very low62 Ų6268.9 Ų68.951%0.51239%0.388SS..SBendtrans-78.774.1-179.200000111.1L332 N338L332-A336 WeakPolarHBondContact O-CA 3.44Å; L332-A336 WeakPolarHBondContact O-CB 3.4Å; L332-A336 PolarHBondContact O-N 3.3Å; A336-N338 PolarHBondContact O-N 3.19Å
337G45.8Very low46Very low65 Ų6570.2 Ų70.267%0.6739%0.388SS*.SBendtrans66.4-22.8163.500000117.8T335T335-G337 VanDerWaalsContact C-N 3.29Å; T335-G337 PolarHBondContact O-N 2.63Å
338N39.3Very low46.6Very low92 Ų9267.5 Ų67.549%0.49239%0.387SS..  trans-107.315.9-174.8-66.2-28.1000112.2A336 L340 I341 S342A336-N338 PolarHBondContact O-N 3.19Å; N338-L340 VanDerWaalsContact C-N 3.27Å; N338-L340 PolarHBondContact O-N 2.95Å; N338-I341 HydrophobicContact CB-CB 4.36Å; N338-I341 PolarHBondContact O-N 3.48Å; N338-I341 WeakPolarHBondContact OD1-CD1 3.38Å; N338-S342 VanDerWaalsContact O-CB 3.26Å; N338-S342 WeakPolarHBondContact O-CB 3.44Å; N338-S342 PolarHBondContact O-N 2.9Å; N338-S342 PolarHBondContact O-OG 3.39Å
339A45.9Very low47.7Very low25 Ų2559.5 Ų59.521%0.20736%0.36CS..Hα-helixtrans-60.3-42.216900000111S334 S342 A343S334-A339 WeakPolarHBondContact O-CB 3.4Å; A339-S342 PolarHBondContact O-OG 3.21Å; A339-A343 WeakPolarHBondContact O-CB 3.35Å; A339-A343 PolarHBondContact O-N 2.99Å
340L41.7Very low48.7Very low79 Ų7956 Ų5641%0.41434%0.343SS..Hα-helixtrans-67.4-45175.3-172.362.9000109.9N338 I344 F546N338-L340 VanDerWaalsContact C-N 3.27Å; N338-L340 PolarHBondContact O-N 2.95Å; L340-I344 HydrophobicContact CD1-CD1 3.56Å; L340-I344 HydrophobicContact CD1-CG1 4.05Å; L340-I344 HydrophobicContact CD2-CD1 4.38Å; L340-I344 HydrophobicContact CG-CD1 3.54Å; L340-I344 HydrophobicContact CG-CG1 4.32Å; L340-I344 WeakPolarHBondContact O-CA 3.5Å; L340-I344 WeakPolarHBondContact O-CB 3.18Å; L340-I344 WeakPolarHBondContact O-CD1 3.29Å; L340-I344 WeakPolarHBondContact O-CG1 3.38Å; L340-I344 PolarHBondContact O-N 3.23Å; L340-F546 HydrophobicContact CB-CE2 4.33Å; L340-F546 HydrophobicContact CB-CZ 3.9Å; L340-F546 HydrophobicContact CD1-CD1 4.07Å; L340-F546 HydrophobicContact CD1-CD2 4.2Å; L340-F546 HydrophobicContact CD1-CE1 3.83Å; L340-F546 HydrophobicContact CD1-CE2 3.96Å; L340-F546 HydrophobicContact CD1-CG 4.25Å; L340-F546 HydrophobicContact CD1-CZ 3.77Å; L340-F546 HydrophobicContact CG-CZ 4.4Å
341I45.2Very low49.8Very low107 Ų10759.9 Ų59.955%0.54936%0.361SS..Hα-helixtrans-71.9-38.6-178.5-68.1162.2000112.6N338 A345N338-I341 HydrophobicContact CB-CB 4.36Å; N338-I341 PolarHBondContact O-N 3.48Å; N338-I341 WeakPolarHBondContact OD1-CD1 3.38Å; I341-A345 WeakPolarHBondContact O-CA 3.43Å; I341-A345 WeakPolarHBondContact O-CB 3.34Å; I341-A345 PolarHBondContact O-N 3.44Å
342S47.9Very low51.3Low18 Ų1863 Ų6313%0.12638%0.376CS..Hα-helixtrans-75.8-41.7177.6600000111.6N338 A339 A345 L346N338-S342 VanDerWaalsContact O-CB 3.26Å; N338-S342 WeakPolarHBondContact O-CB 3.44Å; N338-S342 PolarHBondContact O-N 2.9Å; N338-S342 PolarHBondContact O-OG 3.39Å; A339-S342 PolarHBondContact O-OG 3.21Å; S342-A345 PolarHBondContact O-N 2.82Å; S342-L346 WeakPolarHBondContact O-CB 3.47Å; S342-L346 WeakPolarHBondContact O-CD1 3.48Å; S342-L346 WeakPolarHBondContact O-CG 3.39Å; S342-L346 PolarHBondContact O-N 3.1Å
343A49.8Very low53Low34 Ų3459.9 Ų59.928%0.28136%0.36SS..Hα-helixtrans-67.7-38.9172.700000111.4A339 N347A339-A343 WeakPolarHBondContact O-CB 3.35Å; A339-A343 PolarHBondContact O-N 2.99Å; A343-N347 WeakPolarHBondContact O-CB 3.46Å; A343-N347 VanDerWaalsContact O-CG 3.29Å; A343-N347 PolarHBondContact O-N 2.83Å; A343-N347 PolarHBondContact O-ND2 2.95Å
344I50.2Low54.8Low80 Ų8055.3 Ų55.341%0.4135%0.347SS..Hα-helixtrans-65.7-46.5171.6-71.2171.2000109.9L340 L346 N347 A348L340-I344 HydrophobicContact CD1-CD1 3.56Å; L340-I344 HydrophobicContact CD1-CG1 4.05Å; L340-I344 HydrophobicContact CD2-CD1 4.38Å; L340-I344 HydrophobicContact CG-CD1 3.54Å; L340-I344 HydrophobicContact CG-CG1 4.32Å; L340-I344 WeakPolarHBondContact O-CA 3.5Å; L340-I344 WeakPolarHBondContact O-CB 3.18Å; L340-I344 WeakPolarHBondContact O-CD1 3.29Å; L340-I344 WeakPolarHBondContact O-CG1 3.38Å; L340-I344 PolarHBondContact O-N 3.23Å; I344-L346 VanDerWaalsContact C-N 3.35Å; I344-L346 PolarHBondContact O-N 3.05Å; I344-N347 PolarHBondContact O-N 3.47Å; I344-A348 VanDerWaalsContact O-CA 3.29Å; I344-A348 WeakPolarHBondContact O-CA 3.33Å; I344-A348 WeakPolarHBondContact O-CB 3.43Å; I344-A348 PolarHBondContact O-N 2.98Å
345A52.2Low56.6Low59 Ų5958.3 Ų58.349%0.48836%0.36SS..Hα-helixtrans-64.6-38.2-179.300000112.1I341 S342 G349I341-A345 WeakPolarHBondContact O-CA 3.43Å; I341-A345 WeakPolarHBondContact O-CB 3.34Å; I341-A345 PolarHBondContact O-N 3.44Å; S342-A345 PolarHBondContact O-N 2.82Å; A345-G349 PolarHBondContact O-N 3.01Å
346L53.8Low58.6Low51 Ų5158.6 Ų58.627%0.26736%0.357SS..Hα-helixtrans-75.5-41178.1-68.2166.4000112.1S342 I344 A348 G349 S350 F502S342-L346 WeakPolarHBondContact O-CB 3.47Å; S342-L346 WeakPolarHBondContact O-CD1 3.48Å; S342-L346 WeakPolarHBondContact O-CG 3.39Å; S342-L346 PolarHBondContact O-N 3.1Å; I344-L346 VanDerWaalsContact C-N 3.35Å; I344-L346 PolarHBondContact O-N 3.05Å; L346-A348 VanDerWaalsContact C-N 3.35Å; L346-G349 PolarHBondContact O-N 2.85Å; L346-S350 PolarHBondContact O-N 2.84Å; L346-F502 HydrophobicContact CD2-CB 4.42Å
347N54.6Low60.7Low57 Ų5756.6 Ų56.631%0.30534%0.337SS..Hα-helixtrans-69.1-35.6171.4-74.5-62.2000111.1A343 I344 G349 S350 I351 R507A343-N347 WeakPolarHBondContact O-CB 3.46Å; A343-N347 VanDerWaalsContact O-CG 3.29Å; A343-N347 PolarHBondContact O-N 2.83Å; A343-N347 PolarHBondContact O-ND2 2.95Å; I344-N347 PolarHBondContact O-N 3.47Å; N347-G349 VanDerWaalsContact C-N 3.3Å; N347-S350 WeakPolarHBondContact CA-OG 3.35Å; N347-S350 PolarHBondContact O-N 3.01Å; N347-S350 PolarHBondContact O-OG 3.49Å; N347-I351 HydrophobicContact CB-CD1 4.5Å; N347-I351 WeakPolarHBondContact O-CB 3.18Å; N347-I351 WeakPolarHBondContact O-CD1 3.15Å; N347-I351 WeakPolarHBondContact O-CG1 3.46Å; N347-I351 PolarHBondContact O-N 3.29Å; N347-R507 PolarHBondContact OD1-NH2 2.68Å
348A61Low62.6Low43 Ų4356.8 Ų56.836%0.35533%0.328SS..Hα-helixtrans-65-35.7173.400000110.2I344 L346 I351 L352I344-A348 VanDerWaalsContact O-CA 3.29Å; I344-A348 WeakPolarHBondContact O-CA 3.33Å; I344-A348 WeakPolarHBondContact O-CB 3.43Å; I344-A348 PolarHBondContact O-N 2.98Å; L346-A348 VanDerWaalsContact C-N 3.35Å; A348-I351 PolarHBondContact O-N 3.09Å; A348-L352 WeakPolarHBondContact O-CA 3.24Å; A348-L352 WeakPolarHBondContact O-CB 3.26Å; A348-L352 PolarHBondContact O-N 2.95Å
349G65.8Low65Low11 Ų1157.1 Ų57.111%0.11333%0.329CS..Hα-helixtrans-62.1-45.4171.300000112.6A345 L346 N347 G353A345-G349 PolarHBondContact O-N 3.01Å; L346-G349 PolarHBondContact O-N 2.85Å; N347-G349 VanDerWaalsContact C-N 3.3Å; G349-G353 PolarHBondContact O-N 3.23Å
350S67.5Low67Low13 Ų1356 Ų569%0.09132%0.32CS..Hα-helixtrans-67.8-39174.4520000113.2L346 N347 G353 L354 F496L346-S350 PolarHBondContact O-N 2.84Å; N347-S350 WeakPolarHBondContact CA-OG 3.35Å; N347-S350 PolarHBondContact O-N 3.01Å; N347-S350 PolarHBondContact O-OG 3.49Å; S350-G353 PolarHBondContact O-N 3.29Å; S350-L354 WeakPolarHBondContact O-CG 3.37Å; S350-L354 PolarHBondContact O-N 2.86Å; S350-F496 WeakPolarHBondContact O-CD2 3.32Å
351I72.5Confident69.2Low95 Ų9554.2 Ų54.249%0.48731%0.308SS..Hα-helixtrans-67.5-44176.5-68.5161.4000109.5N347 A348 G353 L354 L355N347-I351 HydrophobicContact CB-CD1 4.5Å; N347-I351 WeakPolarHBondContact O-CB 3.18Å; N347-I351 WeakPolarHBondContact O-CD1 3.15Å; N347-I351 WeakPolarHBondContact O-CG1 3.46Å; N347-I351 PolarHBondContact O-N 3.29Å; A348-I351 PolarHBondContact O-N 3.09Å; I351-G353 VanDerWaalsContact C-N 3.32Å; I351-G353 PolarHBondContact O-N 3.03Å; I351-L354 PolarHBondContact O-N 3.31Å; I351-L355 HydrophobicContact CG2-CD1 3.78Å; I351-L355 HydrophobicContact CG2-CG 4.1Å; I351-L355 VanDerWaalsContact O-CB 3.3Å; I351-L355 WeakPolarHBondContact O-CB 3.44Å; I351-L355 WeakPolarHBondContact O-CG 3.03Å; I351-L355 PolarHBondContact O-N 2.75Å
352L74.4Confident71.2Confident108 Ų10852.8 Ų52.857%0.56531%0.308SS*.Hα-helixtrans-61.8-41175.8-176.867.5000110.6A348 L355 F356A348-L352 WeakPolarHBondContact O-CA 3.24Å; A348-L352 WeakPolarHBondContact O-CB 3.26Å; A348-L352 PolarHBondContact O-N 2.95Å; L352-L355 PolarHBondContact O-N 3.13Å; L352-F356 WeakPolarHBondContact O-CB 3.43Å; L352-F356 PolarHBondContact O-N 3.04Å
353G75.7Confident73.1Confident0 Ų055 Ų550%032%0.318CS..Hα-helixtrans-61.4-47.2173.600000112.4G349 S350 I351 F356 I357G349-G353 PolarHBondContact O-N 3.23Å; S350-G353 PolarHBondContact O-N 3.29Å; I351-G353 VanDerWaalsContact C-N 3.32Å; I351-G353 PolarHBondContact O-N 3.03Å; G353-F356 PolarHBondContact O-N 2.99Å; G353-I357 VanDerWaalsContact O-CG1 3.3Å; G353-I357 WeakPolarHBondContact O-CG1 3.46Å; G353-I357 PolarHBondContact O-N 3.16Å
354L79.6Confident74.8Confident70 Ų7053.3 Ų53.337%0.36630%0.304SS..Hα-helixtrans-65.4-43.2175.9-70.7174.1000112.1S350 I351 F356 I357 S358 F496S350-L354 WeakPolarHBondContact O-CG 3.37Å; S350-L354 PolarHBondContact O-N 2.86Å; I351-L354 PolarHBondContact O-N 3.31Å; L354-F356 VanDerWaalsContact C-N 3.29Å; L354-F356 PolarHBondContact O-N 3.49Å; L354-I357 PolarHBondContact O-N 3.49Å; L354-S358 PolarHBondContact O-N 3.31Å; L354-S358 PolarHBondContact O-OG 3.39Å; L354-S358 VanDerWaalsContact O-OG 3.1Å; L354-F496 HydrophobicContact CD1-CE2 3.94Å; L354-F496 HydrophobicContact CD2-CD2 4.05Å; L354-F496 HydrophobicContact CD2-CE2 3.81Å; L354-F496 HydrophobicContact CD2-CZ 4.17Å; L354-F496 HydrophobicContact CG-CD2 3.79Å; L354-F496 HydrophobicContact CG-CE2 3.6Å; L354-F496 HydrophobicContact CG-CZ 4.4Å
355L82.6Confident76.4Confident93 Ų9351.1 Ų51.149%0.48730%0.298SS..Hα-helixtrans-60.6-41174.7-73.9174.9000110.9I351 L352 S358 I359I351-L355 HydrophobicContact CG2-CD1 3.78Å; I351-L355 HydrophobicContact CG2-CG 4.1Å; I351-L355 VanDerWaalsContact O-CB 3.3Å; I351-L355 WeakPolarHBondContact O-CB 3.44Å; I351-L355 WeakPolarHBondContact O-CG 3.03Å; I351-L355 PolarHBondContact O-N 2.75Å; L352-L355 PolarHBondContact O-N 3.13Å; L355-S358 PolarHBondContact O-N 2.93Å; L355-I359 WeakPolarHBondContact O-CB 3.07Å; L355-I359 WeakPolarHBondContact O-CD1 3.44Å; L355-I359 WeakPolarHBondContact O-CG1 3.45Å; L355-I359 PolarHBondContact O-N 3.23Å
356F84.9Confident78Confident69 Ų6955.8 Ų55.830%0.30331%0.31SS..Hα-helixtrans-63.9-44.3176.3-166.6-88.4000111L352 G353 L354 I359 S360 L488 I491 G492L352-F356 WeakPolarHBondContact O-CB 3.43Å; L352-F356 PolarHBondContact O-N 3.04Å; G353-F356 PolarHBondContact O-N 2.99Å; L354-F356 VanDerWaalsContact C-N 3.29Å; L354-F356 PolarHBondContact O-N 3.49Å; F356-I359 PolarHBondContact O-N 2.89Å; F356-S360 WeakPolarHBondContact O-CB 3.35Å; F356-S360 PolarHBondContact O-N 2.99Å; F356-S360 PolarHBondContact O-OG 3.43Å; F356-L488 HydrophobicContact CE1-CB 4.39Å; F356-L488 HydrophobicContact CE1-CD2 4.35Å; F356-L488 WeakPolarHBondContact CE1-O 3.06Å; F356-L488 HydrophobicContact CZ-CD2 4.05Å; F356-I491 HydrophobicContact CE1-CB 4.22Å; F356-I491 HydrophobicContact CE1-CG2 4.15Å; F356-I491 HydrophobicContact CZ-CG2 4.42Å; F356-G492 VanDerWaalsContact CD1-CA 3.44Å
357I84.8Confident79.5Confident19 Ų1956.9 Ų56.910%0.09732%0.316CS..Hα-helixtrans-59.4-48.1173.2-67165.6000110.3G353 L354 S360 F361 L493 F496G353-I357 VanDerWaalsContact O-CG1 3.3Å; G353-I357 WeakPolarHBondContact O-CG1 3.46Å; G353-I357 PolarHBondContact O-N 3.16Å; L354-I357 PolarHBondContact O-N 3.49Å; I357-S360 WeakPolarHBondContact O-CB 3.05Å; I357-S360 PolarHBondContact O-N 2.98Å; I357-F361 HydrophobicContact CG2-CD2 3.73Å; I357-F361 HydrophobicContact CG2-CE2 3.74Å; I357-F361 WeakPolarHBondContact O-CD2 3.48Å; I357-F361 PolarHBondContact O-N 3.05Å; I357-L493 HydrophobicContact CD1-CD2 3.72Å; I357-L493 HydrophobicContact CD1-CG 4Å; I357-F496 HydrophobicContact CD1-CB 4.41Å
358S86.2Confident81Confident69 Ų6954.7 Ų54.748%0.48331%0.305SS..Hα-helixtrans-60.7-47.2178.9-63.20000112.5L354 L355 S360 F361 S362L354-S358 PolarHBondContact O-N 3.31Å; L354-S358 PolarHBondContact O-OG 3.39Å; L354-S358 VanDerWaalsContact O-OG 3.1Å; L355-S358 PolarHBondContact O-N 2.93Å; S358-S360 VanDerWaalsContact C-N 3.27Å; S358-S360 PolarHBondContact O-N 3.45Å; S358-F361 PolarHBondContact O-N 3.22Å; S358-S362 PolarHBondContact O-N 3.08Å; S358-S362 PolarHBondContact O-OG 2.94Å; S358-S362 VanDerWaalsContact O-OG 3.07Å
359I88.9Confident82.2Confident100 Ų10053.6 Ų53.651%0.51329%0.293SS..Hα-helixtrans-60.3-40.6175.8-68.9163.6000110.3L355 F356 S362 L363L355-I359 WeakPolarHBondContact O-CB 3.07Å; L355-I359 WeakPolarHBondContact O-CD1 3.44Å; L355-I359 WeakPolarHBondContact O-CG1 3.45Å; L355-I359 PolarHBondContact O-N 3.23Å; F356-I359 PolarHBondContact O-N 2.89Å; I359-S362 PolarHBondContact O-N 2.89Å; I359-L363 HydrophobicContact CG2-CD1 4.13Å; I359-L363 HydrophobicContact CG2-CG 4.4Å; I359-L363 WeakPolarHBondContact O-CG 3.32Å; I359-L363 PolarHBondContact O-N 3.3Å
360S87.1Confident83.1Confident2 Ų254.1 Ų54.11%0.01430%0.295CS..Hα-helixtrans-61.6-47177.7-55.90000111.6F356 I357 S358 S362 L363 I364 L488F356-S360 WeakPolarHBondContact O-CB 3.35Å; F356-S360 PolarHBondContact O-N 2.99Å; F356-S360 PolarHBondContact O-OG 3.43Å; I357-S360 WeakPolarHBondContact O-CB 3.05Å; I357-S360 PolarHBondContact O-N 2.98Å; S358-S360 VanDerWaalsContact C-N 3.27Å; S358-S360 PolarHBondContact O-N 3.45Å; S360-S362 VanDerWaalsContact C-N 3.35Å; S360-L363 PolarHBondContact O-N 2.89Å; S360-I364 VanDerWaalsContact O-CG1 3.25Å; S360-I364 WeakPolarHBondContact O-CG1 3.33Å; S360-I364 PolarHBondContact O-N 2.96Å; S360-L488 VanDerWaalsContact OG-CB 3.29Å; S360-L488 WeakPolarHBondContact OG-CB 3.43Å
361F87.6Confident83.8Confident40 Ų4053.8 Ų53.818%0.17529%0.293CS..Hα-helixtrans-65.1-36.7174.8-84.1-74.7000112.4I288 M291 I357 S358 L363 I364 A365 P489I288-F361 HydrophobicContact CG2-CE2 3.98Å; I288-F361 HydrophobicContact CG2-CZ 3.94Å; M291-F361 HydrophobicContact CB-CE1 4.32Å; I357-F361 HydrophobicContact CG2-CD2 3.73Å; I357-F361 HydrophobicContact CG2-CE2 3.74Å; I357-F361 WeakPolarHBondContact O-CD2 3.48Å; I357-F361 PolarHBondContact O-N 3.05Å; S358-F361 PolarHBondContact O-N 3.22Å; F361-L363 VanDerWaalsContact C-N 3.34Å; F361-L363 PolarHBondContact O-N 2.9Å; F361-I364 HydrophobicContact CD1-CD1 4.43Å; F361-I364 PolarHBondContact O-N 3.34Å; F361-A365 WeakPolarHBondContact O-CB 3.39Å; F361-A365 PolarHBondContact O-N 3.47Å; F361-P489 HydrophobicContact CD2-CG 4.45Å; F361-P489 HydrophobicContact CE2-CB 4.11Å; F361-P489 HydrophobicContact CE2-CG 4.21Å; F361-P489 HydrophobicContact CZ-CB 4.46Å; F361-P489 HydrophobicContact CZ-CG 4.44Å
362S87.6Confident84.3Confident77 Ų7757.3 Ų57.354%0.53830%0.301SS..Hα-helixtrans-63.8-38.6173.5-600000112.6S358 I359 S360 H366S358-S362 PolarHBondContact O-N 3.08Å; S358-S362 PolarHBondContact O-OG 2.94Å; S358-S362 VanDerWaalsContact O-OG 3.07Å; I359-S362 PolarHBondContact O-N 2.89Å; S360-S362 VanDerWaalsContact C-N 3.35Å; S362-H366 VanDerWaalsContact O-CB 3.3Å; S362-H366 WeakPolarHBondContact O-CB 3.08Å; S362-H366 PolarHBondContact O-N 3.2Å
363L87.6Confident84.7Confident64 Ų6455.1 Ų55.134%0.33529%0.286SS..Hα-helixtrans-67-40174-71.2171.9000111.8I359 S360 F361 N367 Y485 L488I359-L363 HydrophobicContact CG2-CD1 4.13Å; I359-L363 HydrophobicContact CG2-CG 4.4Å; I359-L363 WeakPolarHBondContact O-CG 3.32Å; I359-L363 PolarHBondContact O-N 3.3Å; S360-L363 PolarHBondContact O-N 2.89Å; F361-L363 VanDerWaalsContact C-N 3.34Å; F361-L363 PolarHBondContact O-N 2.9Å; L363-N367 WeakPolarHBondContact O-CB 3.47Å; L363-N367 PolarHBondContact O-N 3.18Å; L363-Y485 HydrophobicContact CB-CG 4.43Å; L363-L488 HydrophobicContact CD1-CD1 4.01Å
364I86.7Confident85Confident0 Ų057.8 Ų57.80%030%0.3CS..Hα-helixtrans-61.9-48.8174.5-67.9163.2000110S360 F361 H366 N367 S368 T483 P489S360-I364 VanDerWaalsContact O-CG1 3.25Å; S360-I364 WeakPolarHBondContact O-CG1 3.33Å; S360-I364 PolarHBondContact O-N 2.96Å; F361-I364 HydrophobicContact CD1-CD1 4.43Å; F361-I364 PolarHBondContact O-N 3.34Å; I364-H366 PolarHBondContact O-N 2.79Å; I364-N367 CarbonylContact O-C 3.59Å; I364-N367 PolarHBondContact O-N 3.46Å; I364-S368 VanDerWaalsContact O-CB 3.29Å; I364-S368 WeakPolarHBondContact O-CB 3.21Å; I364-S368 PolarHBondContact O-N 3.5Å; I364-T483 HydrophobicContact CG2-CG2 4Å; I364-P489 HydrophobicContact CD1-CG 3.74Å
365A84.3Confident85.2Confident34 Ų3454.6 Ų54.628%0.28128%0.283SS..Hα-helixtrans-60.8-45178.800000111.9F361 N367 S368 D407F361-A365 WeakPolarHBondContact O-CB 3.39Å; F361-A365 PolarHBondContact O-N 3.47Å; A365-N367 PolarHBondContact O-N 3.23Å; A365-S368 PolarHBondContact O-N 2.93Å; A365-S368 PolarHBondContact O-OG 2.97Å; A365-D407 HydrophobicContact CB-CB 4.45Å; A365-D407 WeakPolarHBondContact CB-OD2 3.46Å
366H84.9Confident85.2Confident157 Ų15750.9 Ų50.973%0.72727%0.265SS*.Hα-helixtrans-70.1-29.7-178.8-165.3-72.1000113.5S362 I364S362-H366 VanDerWaalsContact O-CB 3.3Å; S362-H366 WeakPolarHBondContact O-CB 3.08Å; S362-H366 PolarHBondContact O-N 3.2Å; I364-H366 PolarHBondContact O-N 2.79Å
367N85.9Confident85.1Confident74 Ų7451.4 Ų51.440%0.39627%0.274SS..THydrogen-bonded Turntrans-103.89.9-179.4-71.938.2000113L363 I364 A365 Y485L363-N367 WeakPolarHBondContact O-CB 3.47Å; L363-N367 PolarHBondContact O-N 3.18Å; I364-N367 CarbonylContact O-C 3.59Å; I364-N367 PolarHBondContact O-N 3.46Å; A365-N367 PolarHBondContact O-N 3.23Å; N367-Y485 HydrophobicContact CB-CD2 4.24Å; N367-Y485 HydrophobicContact CB-CE2 4.01Å; N367-Y485 VanDerWaalsContact ND2-CE2 3.33Å; N367-Y485 WeakPolarHBondContact ND2-CE2 3.11Å
368S85.9Confident85Confident11 Ų1151.4 Ų51.48%0.07727%0.274CS..SBendtrans-73.9147.3174.362.20000110.9I364 A365 S405I364-S368 VanDerWaalsContact O-CB 3.29Å; I364-S368 WeakPolarHBondContact O-CB 3.21Å; I364-S368 PolarHBondContact O-N 3.5Å; A365-S368 PolarHBondContact O-N 2.93Å; A365-S368 PolarHBondContact O-OG 2.97Å; S368-S405 WeakPolarHBondContact OG-CB 3.27Å; S368-S405 PolarHBondContact OG-OG 3.43Å
369L86.8Confident84.9Confident19 Ų1953.3 Ų53.310%0.09928%0.276CS..PPolyproline II helixtrans-61.7133-179.2-88.868.8000110.3S405 C406 F417 Y419 M426L369-S405 WeakPolarHBondContact O-CA 3.46Å; L369-C406 HydrophobicContact CB-CB 4.38Å; L369-C406 WeakPolarHBondContact O-CB 3.34Å; L369-C406 PolarHBondContact O-N 3.15Å; L369-F417 HydrophobicContact CB-CE1 3.79Å; L369-F417 HydrophobicContact CB-CZ 3.95Å; L369-F417 HydrophobicContact CD2-CE1 4.37Å; L369-F417 WeakPolarHBondContact O-CZ 3.3Å; L369-Y419 HydrophobicContact CD2-CD2 3.65Å; L369-Y419 HydrophobicContact CD2-CE2 4.31Å; L369-Y419 HydrophobicContact CD2-CG 3.92Å; L369-M426 HydrophobicContact CD1-CE 3.82Å; L369-M426 HydrophobicContact CD1-SD 4.26Å; L369-M426 HydrophobicContact CD2-CG 3.75Å; L369-M426 HydrophobicContact CD2-SD 4.22Å; L369-M426 HydrophobicContact CG-CE 4.14Å; L369-M426 HydrophobicContact CG-CG 4.19Å; L369-M426 HydrophobicContact CG-SD 4.43Å
370P84.5Confident84.6Confident23 Ų2358.3 Ų58.315%0.14930%0.297CS..BIsolated β-bridgetrans-74.8149.4173.227.8-28.2000111.5Y372 Y404 N427P370-Y372 HydrophobicContact CB-CD2 3.69Å; P370-Y372 HydrophobicContact CB-CE2 3.41Å; P370-Y372 VanDerWaalsContact CB-CE2 3.41Å; P370-Y372 HydrophobicContact CB-CG 4.49Å; P370-Y372 HydrophobicContact CG-CD2 3.85Å; P370-Y372 HydrophobicContact CG-CE2 3.67Å; P370-Y372 PolarHBondContact O-N 2.9Å; P370-Y404 CarbonylContact C-O 3.43Å; P370-Y404 WeakPolarHBondContact CA-O 3.44Å; P370-N427 HydrophobicContact CG-CB 3.9Å; P370-N427 WeakPolarHBondContact CG-O 3.18Å
371G81.9Confident84.3Confident5 Ų559.6 Ų59.65%0.05231%0.311CS..  trans-98.361.6-177.600000112.5Y404 G430G371-Y404 PolarHBondContact N-O 3.08Å; G371-G430 CarbonylContact C-O 3.13Å; G371-G430 WeakPolarHBondContact CA-O 3.08Å
372Y82.2Confident84.1Confident170 Ų17065.7 Ų65.767%0.66733%0.333SS*.  trans-89.7-10.2-177.6-67-53.9000114.9P370 D374 N427 G430P370-Y372 HydrophobicContact CB-CD2 3.69Å; P370-Y372 HydrophobicContact CB-CE2 3.41Å; P370-Y372 VanDerWaalsContact CB-CE2 3.41Å; P370-Y372 HydrophobicContact CB-CG 4.49Å; P370-Y372 HydrophobicContact CG-CD2 3.85Å; P370-Y372 HydrophobicContact CG-CE2 3.67Å; P370-Y372 PolarHBondContact O-N 2.9Å; Y372-D374 PolarHBondContact O-N 3.07Å; Y372-N427 WeakPolarHBondContact CD2-O 3.48Å; Y372-G430 PolarHBondContact N-O 3.44Å; Y372-G430 VanDerWaalsContact N-O 3.16Å
373Y82.9Confident83.9Confident61 Ų6163.1 Ų63.124%0.23931%0.312CS..  trans-78.6124.2-177.7-169.9-92.2000111.3E375 S428 G430 S431 R451Y373-E375 VanDerWaalsContact CD1-OE2 3.32Å; Y373-E375 WeakPolarHBondContact CD1-OE2 3.29Å; Y373-E375 WeakPolarHBondContact CE1-OE2 3.29Å; Y373-E375 PolarHBondContact O-N 3.4Å; Y373-S428 WeakPolarHBondContact CB-O 3.22Å; Y373-G430 VanDerWaalsContact CB-O 3.26Å; Y373-G430 WeakPolarHBondContact CB-O 3.25Å; Y373-G430 PolarHBondContact N-O 3.38Å; Y373-S431 VanDerWaalsContact O-CB 3.28Å; Y373-S431 WeakPolarHBondContact O-CB 3.48Å; Y373-R451 VanDerWaalsContact CG-NH2 3.31Å
374D83.3Confident83.8Confident57 Ų5765.6 Ų65.631%0.30532%0.32SS..  trans-85.4102.7173.9-175.5-8.6000110.7Y372 S376 T377 F393Y372-D374 PolarHBondContact O-N 3.07Å; D374-S376 PolarHBondContact O-N 3.01Å; D374-S376 WeakPolarHBondContact OD1-CA 3.46Å; D374-S376 WeakPolarHBondContact OD1-CB 3.31Å; D374-S376 PolarHBondContact OD1-N 3.11Å; D374-S376 PolarHBondContact OD1-OG 3.31Å; D374-S376 PolarHBondContact OD2-OG 2.96Å; D374-T377 HydrophobicContact CB-CG2 3.99Å; D374-T377 PolarHBondContact O-N 3.21Å; D374-T377 VanDerWaalsContact O-N 3.08Å; D374-T377 PolarHBondContact O-OG1 3.25Å; D374-F393 VanDerWaalsContact OD1-CE2 3.31Å; D374-F393 WeakPolarHBondContact OD1-CE2 3.25Å; D374-F393 WeakPolarHBondContact OD1-CZ 3.46Å
375E83.9Confident83.6Confident2 Ų269.1 Ų69.11%0.00934%0.344CS..G310 helixtrans-65.1-18.3179.3-150.462.5-132.300113.6Y373 T377 F378 S431 I433 Y449 G450 R451Y373-E375 VanDerWaalsContact CD1-OE2 3.32Å; Y373-E375 WeakPolarHBondContact CD1-OE2 3.29Å; Y373-E375 WeakPolarHBondContact CE1-OE2 3.29Å; Y373-E375 PolarHBondContact O-N 3.4Å; E375-T377 PolarHBondContact O-N 2.99Å; E375-F378 PolarHBondContact O-N 3.08Å; E375-S431 PolarHBondContact OE2-OG 2.79Å; E375-I433 HydrophobicContact CG-CD1 3.96Å; E375-Y449 HydrophobicContact CB-CE2 4.15Å; E375-Y449 HydrophobicContact CG-CD2 4.3Å; E375-Y449 HydrophobicContact CG-CE2 4.15Å; E375-G450 VanDerWaalsContact OE1-CA 3.28Å; E375-G450 WeakPolarHBondContact OE1-CA 3.45Å; E375-R451 WeakPolarHBondContact OE1-CB 3.46Å; E375-R451 VanDerWaalsContact OE1-CG 3.28Å; E375-R451 WeakPolarHBondContact OE1-CG 2.95Å; E375-R451 PolarHBondContact OE1-N 3.3Å; E375-R451 IonicContact OE1-NE 2.94Å; E375-R451 PolarHBondContact OE1-NE 3Å; E375-R451 IonicContact OE2-CZ 3.18Å; E375-R451 IonicContact OE2-NE 3.17Å; E375-R451 PolarHBondContact OE2-NE 3.38Å; E375-R451 IonicContact OE2-NH2 3.24Å; E375-R451 PolarHBondContact OE2-NH2 2.92Å
376S81.4Confident83.5Confident16 Ų1672.1 Ų72.111%0.11235%0.354CS..G310 helixtrans-66.5-25.3173.880.70000112.3D374 G381D374-S376 PolarHBondContact O-N 3.01Å; D374-S376 WeakPolarHBondContact OD1-CA 3.46Å; D374-S376 WeakPolarHBondContact OD1-CB 3.31Å; D374-S376 PolarHBondContact OD1-N 3.11Å; D374-S376 PolarHBondContact OD1-OG 3.31Å; D374-S376 PolarHBondContact OD2-OG 2.96Å; S376-G381 VanDerWaalsContact O-CA 3.23Å; S376-G381 WeakPolarHBondContact O-CA 3.49Å
377T83.1Confident83.3Confident80 Ų8064.7 Ų64.749%0.49132%0.319SS..G310 helixtrans-82.1-14.3-178.366.90000113.8D374 E375D374-T377 HydrophobicContact CB-CG2 3.99Å; D374-T377 PolarHBondContact O-N 3.21Å; D374-T377 VanDerWaalsContact O-N 3.08Å; D374-T377 PolarHBondContact O-OG1 3.25Å; E375-T377 PolarHBondContact O-N 2.99Å
378F83.3Confident83.1Confident19 Ų1967.3 Ų67.38%0.08333%0.329CS..Hα-helixtrans-62140.4-179-177.3-116.7000111.7E375 E380 G381 R382 Y383 R451 M470E375-F378 PolarHBondContact O-N 3.08Å; F378-E380 PolarHBondContact O-N 3.48Å; F378-G381 PolarHBondContact O-N 2.9Å; F378-R382 PolarHBondContact O-N 3.4Å; F378-Y383 HydrophobicContact CD1-CD2 4.03Å; F378-Y383 AromaticContact CD1-CE2 3.86Å; F378-Y383 HydrophobicContact CD1-CE2 3.86Å; F378-Y383 HydrophobicContact CE1-CE2 4.29Å; F378-R451 HydrophobicContact CD1-CG 4.25Å; F378-R451 HydrophobicContact CD2-CG 3.46Å; F378-R451 VanDerWaalsContact CD2-CG 3.46Å; F378-R451 HydrophobicContact CE1-CG 4.22Å; F378-R451 HydrophobicContact CE2-CG 3.45Å; F378-R451 VanDerWaalsContact CE2-CG 3.45Å; F378-R451 HydrophobicContact CG-CG 3.88Å; F378-R451 HydrophobicContact CZ-CG 3.84Å; F378-M470 HydrophobicContact CE1-CB 3.91Å; F378-M470 HydrophobicContact CE1-CE 3.7Å; F378-M470 HydrophobicContact CE1-SD 3.99Å; F378-M470 HydrophobicContact CZ-CB 4.06Å; F378-M470 HydrophobicContact CZ-CE 4.45Å
379M83.2Confident83Confident108 Ų10873.8 Ų73.853%0.53236%0.363SS..Hα-helixtrans49.654.4-176.9-70.1-74.5-130.500113G381 R382 M470M379-G381 VanDerWaalsContact C-N 3.25Å; M379-G381 PolarHBondContact O-N 3.35Å; M379-R382 HydrophobicContact CB-CB 4.09Å; M379-R382 WeakPolarHBondContact O-CB 3.35Å; M379-R382 PolarHBondContact O-N 3.45Å; M379-M470 HydrophobicContact CE-CE 4.18Å; M379-M470 HydrophobicContact CG-CE 4.26Å
380E83.4Confident82.8Confident205 Ų20573.2 Ų73.296%0.95836%0.36SS*.Hα-helixtrans5633.3177.1-58.9-179.1173.800114.4F378F378-E380 PolarHBondContact O-N 3.48Å
381G80.9Confident82.7Confident30 Ų3076 Ų7631%0.30938%0.38SS..Hα-helixtrans91.69.5176.600000115.4S376 F378 M379 Y383 K384S376-G381 VanDerWaalsContact O-CA 3.23Å; S376-G381 WeakPolarHBondContact O-CA 3.49Å; F378-G381 PolarHBondContact O-N 2.9Å; M379-G381 VanDerWaalsContact C-N 3.25Å; M379-G381 PolarHBondContact O-N 3.35Å; G381-Y383 PolarHBondContact O-N 2.87Å; G381-K384 WeakPolarHBondContact O-CB 3.4Å; G381-K384 PolarHBondContact O-N 3.32Å; G381-K384 VanDerWaalsContact O-N 3.15Å
382R83.2Confident82.7Confident168 Ų16875.8 Ų75.863%0.63438%0.378SS*.THydrogen-bonded Turntrans-53.7-32.4-174.5-176177.3-178.6-177.5-0.2113.9F378 M379F378-R382 PolarHBondContact O-N 3.4Å; M379-R382 HydrophobicContact CB-CB 4.09Å; M379-R382 WeakPolarHBondContact O-CB 3.35Å; M379-R382 PolarHBondContact O-N 3.45Å
383Y83.6Confident82.3Confident23 Ų2368.2 Ų68.29%0.0935%0.348CS..THydrogen-bonded Turntrans-103.58.8-173.7-61.1-70.7000114.4F378 G381 S385 M386 A387 Y449 M470F378-Y383 HydrophobicContact CD1-CD2 4.03Å; F378-Y383 AromaticContact CD1-CE2 3.86Å; F378-Y383 HydrophobicContact CD1-CE2 3.86Å; F378-Y383 HydrophobicContact CE1-CE2 4.29Å; G381-Y383 PolarHBondContact O-N 2.87Å; Y383-S385 VanDerWaalsContact C-N 3.31Å; Y383-S385 PolarHBondContact O-N 3.22Å; Y383-M386 HydrophobicContact CD1-SD 3.9Å; Y383-M386 HydrophobicContact CE1-SD 4.46Å; Y383-M386 PolarHBondContact O-N 3.47Å; Y383-A387 PolarHBondContact O-N 3.49Å; Y383-Y449 HydrophobicContact CD1-CD2 4.5Å; Y383-Y449 HydrophobicContact CD1-CG 4.42Å; Y383-Y449 HydrophobicContact CG-CD2 4.17Å; Y383-M470 HydrophobicContact CE2-CE 3.94Å; Y383-M470 HydrophobicContact CE2-SD 3.94Å; Y383-M470 WeakPolarHBondContact OH-CE 3.19Å; Y383-M470 PolarHBondContact OH-SD 3.06Å
384K84.1Confident81.3Confident116 Ų11667.5 Ų67.550%0.50436%0.359SS..Hα-helixtrans-54.4-43.2-175.4-172.5177.4179.7-179.90113.9G381 M386 A387 E388G381-K384 WeakPolarHBondContact O-CB 3.4Å; G381-K384 PolarHBondContact O-N 3.32Å; G381-K384 VanDerWaalsContact O-N 3.15Å; K384-M386 VanDerWaalsContact C-N 3.34Å; K384-M386 PolarHBondContact O-N 3.06Å; K384-A387 PolarHBondContact O-N 2.93Å; K384-E388 WeakPolarHBondContact CE-OE1 3.43Å; K384-E388 WeakPolarHBondContact O-CG 3.35Å; K384-E388 PolarHBondContact O-N 3.2Å
385S82.4Confident80.2Confident74 Ų7468.6 Ų68.652%0.51737%0.365SS..Hα-helixtrans-68.9-29.517958.80000113.9Y383 N389Y383-S385 VanDerWaalsContact C-N 3.31Å; Y383-S385 PolarHBondContact O-N 3.22Å; S385-N389 PolarHBondContact O-ND2 2.87Å
386M82.7Confident78.6Confident96 Ų9669.6 Ų69.647%0.47337%0.372SS..Hα-helixtrans-75.7-40.5175-64.8-177.8-179.800110.5Y383 K384 N389 D390 Y449Y383-M386 HydrophobicContact CD1-SD 3.9Å; Y383-M386 HydrophobicContact CE1-SD 4.46Å; Y383-M386 PolarHBondContact O-N 3.47Å; K384-M386 VanDerWaalsContact C-N 3.34Å; K384-M386 PolarHBondContact O-N 3.06Å; M386-N389 PolarHBondContact O-N 3.48Å; M386-D390 WeakPolarHBondContact O-CB 3.44Å; M386-D390 PolarHBondContact O-N 3.28Å; M386-Y449 HydrophobicContact CB-CD1 3.86Å; M386-Y449 HydrophobicContact CB-CD2 4.49Å; M386-Y449 HydrophobicContact CB-CE1 4.29Å; M386-Y449 HydrophobicContact CB-CG 4.01Å; M386-Y449 HydrophobicContact SD-CG 4.48Å
387A81.6Confident77Confident1 Ų173.7 Ų73.71%0.00839%0.393CS..Hα-helixtrans-63.6-43.6176.600000112.6Y383 K384 N389 D390 F393 Y449Y383-A387 PolarHBondContact O-N 3.49Å; K384-A387 PolarHBondContact O-N 2.93Å; A387-N389 PolarHBondContact O-N 2.78Å; A387-D390 PolarHBondContact O-N 3.48Å; A387-D390 VanDerWaalsContact O-N 3.11Å; A387-F393 HydrophobicContact CB-CD1 3.82Å; A387-F393 HydrophobicContact CB-CD2 4.23Å; A387-F393 HydrophobicContact CB-CE1 3.85Å; A387-F393 HydrophobicContact CB-CE2 4.29Å; A387-F393 HydrophobicContact CB-CG 4Å; A387-F393 HydrophobicContact CB-CZ 4.1Å; A387-F393 WeakPolarHBondContact O-CB 3.37Å; A387-F393 WeakPolarHBondContact O-CD1 3.3Å; A387-Y449 WeakPolarHBondContact CA-OH 3.43Å; A387-Y449 HydrophobicContact CB-CE2 3.78Å
388E81.6Confident75.6Confident129 Ų12973.2 Ų73.260%0.60339%0.387SS*.Hα-helixtrans-60-28177.5-76.4173.7-17600113.6K384K384-E388 WeakPolarHBondContact CE-OE1 3.43Å; K384-E388 WeakPolarHBondContact O-CG 3.35Å; K384-E388 PolarHBondContact O-N 3.2Å
389N83.5Confident73.8Confident147 Ų14777.2 Ų77.279%0.78642%0.415SS*.THydrogen-bonded Turntrans-96-5.4179.1-73.8-31.6000113.8S385 M386 A387S385-N389 PolarHBondContact O-ND2 2.87Å; M386-N389 PolarHBondContact O-N 3.48Å; A387-N389 PolarHBondContact O-N 2.78Å
390D83.3Confident72.2Confident8 Ų877.4 Ų77.44%0.04342%0.422CS..  trans-83.3122.6-176.2178.75000110.4M386 A387 C392 F393 G394 S434 Y449M386-D390 WeakPolarHBondContact O-CB 3.44Å; M386-D390 PolarHBondContact O-N 3.28Å; A387-D390 PolarHBondContact O-N 3.48Å; A387-D390 VanDerWaalsContact O-N 3.11Å; D390-C392 VanDerWaalsContact C-N 3.26Å; D390-C392 PolarHBondContact O-N 3.25Å; D390-C392 VanDerWaalsContact OD1-CB 3.32Å; D390-C392 WeakPolarHBondContact OD1-CB 3.27Å; D390-C392 PolarHBondContact OD1-N 3.07Å; D390-F393 HydrophobicContact CB-CB 3.77Å; D390-F393 PolarHBondContact O-N 3.27Å; D390-G394 PolarHBondContact O-N 2.97Å; D390-S434 WeakPolarHBondContact OD1-CB 3.37Å; D390-S434 PolarHBondContact OD1-OG 2.86Å; D390-S434 PolarHBondContact OD2-N 3.21Å; D390-S434 VanDerWaalsContact OD2-N 3.08Å; D390-Y449 HydrophobicContact CB-CE1 3.92Å; D390-Y449 WeakPolarHBondContact CB-OH 3.48Å; D390-Y449 WeakPolarHBondContact OD2-CE1 3.29Å; D390-Y449 PolarHBondContact OD2-OH 3.01Å
391S80.9Confident70.4Confident80 Ų8071.5 Ų71.556%0.55940%0.397SS*.Hα-helixtrans-62.7-32.5176.951.50000112.9L395S391-L395 WeakPolarHBondContact O-CG 3.19Å; S391-L395 PolarHBondContact O-N 2.95Å; S391-L395 VanDerWaalsContact O-N 3.09Å
392C82.1Confident68.6Low1 Ų180.3 Ų80.31%0.00742%0.422CS..Hα-helixtrans-71.8-34.5177.6-59.70000111.8D390 L395 C415 S434D390-C392 VanDerWaalsContact C-N 3.26Å; D390-C392 PolarHBondContact O-N 3.25Å; D390-C392 VanDerWaalsContact OD1-CB 3.32Å; D390-C392 WeakPolarHBondContact OD1-CB 3.27Å; D390-C392 PolarHBondContact OD1-N 3.07Å; C392-L395 WeakPolarHBondContact O-CB 3.29Å; C392-C415 VanDerWaalsContact CA-SG 3.57Å; C392-C415 HydrophobicContact CB-CB 3.73Å; C392-C415 WeakPolarHBondContact CB-SG 3.28Å; C392-C415 WeakPolarHBondContact SG-CA 3.4Å; C392-C415 WeakPolarHBondContact SG-CB 3.41Å; C392-C415 CovalentContact SG-SG 2.02Å; C392-C415 PolarHBondContact SG-SG 3.4Å; C392-S434 PolarHBondContact SG-OG 2.88Å
393F74.3Confident67.1Low12 Ų1278.3 Ų78.35%0.05342%0.424CS..Hα-helixtrans-79.6-37.5175.4-171.9-96.6000112.4D374 A387 D390 L395 S396 N397 Y449D374-F393 VanDerWaalsContact OD1-CE2 3.31Å; D374-F393 WeakPolarHBondContact OD1-CE2 3.25Å; D374-F393 WeakPolarHBondContact OD1-CZ 3.46Å; A387-F393 HydrophobicContact CB-CD1 3.82Å; A387-F393 HydrophobicContact CB-CD2 4.23Å; A387-F393 HydrophobicContact CB-CE1 3.85Å; A387-F393 HydrophobicContact CB-CE2 4.29Å; A387-F393 HydrophobicContact CB-CG 4Å; A387-F393 HydrophobicContact CB-CZ 4.1Å; A387-F393 WeakPolarHBondContact O-CB 3.37Å; A387-F393 WeakPolarHBondContact O-CD1 3.3Å; D390-F393 HydrophobicContact CB-CB 3.77Å; D390-F393 PolarHBondContact O-N 3.27Å; F393-L395 PolarHBondContact O-N 3.29Å; F393-S396 VanDerWaalsContact O-CA 3.26Å; F393-S396 WeakPolarHBondContact O-CA 3.34Å; F393-S396 WeakPolarHBondContact O-CB 3.43Å; F393-S396 PolarHBondContact O-N 2.84Å; F393-N397 WeakPolarHBondContact CE1-ND2 3.33Å; F393-N397 PolarHBondContact O-N 2.96Å; F393-Y449 WeakPolarHBondContact CB-OH 3.33Å
394G62.7Low66.5Low45 Ų4580 Ų8046%0.46443%0.43SS..Hα-helixtrans-62.6-30.7172.900000112.6D390 S396D390-G394 PolarHBondContact O-N 2.97Å; G394-S396 VanDerWaalsContact C-N 3.3Å
395L58.2Low66.4Low81 Ų8175.2 Ų75.242%0.42441%0.411SS..Hα-helixtrans-58.1-44.1165.4-77.1161.9000110.3S391 C392 F393 N397 Y404 E412S391-L395 WeakPolarHBondContact O-CG 3.19Å; S391-L395 PolarHBondContact O-N 2.95Å; S391-L395 VanDerWaalsContact O-N 3.09Å; C392-L395 WeakPolarHBondContact O-CB 3.29Å; F393-L395 PolarHBondContact O-N 3.29Å; L395-N397 VanDerWaalsContact C-N 3.34Å; L395-N397 PolarHBondContact O-N 3.01Å; L395-Y404 VanDerWaalsContact C-CE1 3.45Å; L395-Y404 WeakPolarHBondContact O-CE1 3.43Å; L395-Y404 PolarHBondContact O-OH 3.17Å; L395-E412 HydrophobicContact CD1-CG 4.49Å
396S51.1Low66.6Low23 Ų2371.9 Ų71.916%0.16139%0.388CS..Hα-helixtrans-59.2-25.4-179.1-158.40000116.6F393 G394 Y404F393-S396 VanDerWaalsContact O-CA 3.26Å; F393-S396 WeakPolarHBondContact O-CA 3.34Å; F393-S396 WeakPolarHBondContact O-CB 3.43Å; F393-S396 PolarHBondContact O-N 2.84Å; G394-S396 VanDerWaalsContact C-N 3.3Å; S396-Y404 VanDerWaalsContact C-CZ 3.41Å; S396-Y404 VanDerWaalsContact O-CE2 3.29Å; S396-Y404 WeakPolarHBondContact O-CE2 3.01Å; S396-Y404 PolarHBondContact O-OH 3.24Å
397N48.4Very low66.7Low102 Ų10267.9 Ų67.955%0.54537%0.369SS..THydrogen-bonded Turntrans-107.513.7-171.2-78.1-21.9000114.5F393 L395 P399F393-N397 WeakPolarHBondContact CE1-ND2 3.33Å; F393-N397 PolarHBondContact O-N 2.96Å; L395-N397 VanDerWaalsContact C-N 3.34Å; L395-N397 PolarHBondContact O-N 3.01Å; N397-P399 VanDerWaalsContact O-CD 3.3Å; N397-P399 WeakPolarHBondContact O-CD 3.33Å
398N52.6Low66.8Low69 Ų6969.7 Ų69.737%0.36938%0.381SS..  trans-88.7110.8176.7-168-16.6000111V400 N401 Y404N398-V400 PolarHBondContact O-N 3.24Å; N398-V400 WeakPolarHBondContact OD1-CB 3.25Å; N398-V400 WeakPolarHBondContact OD1-CG2 3.37Å; N398-V400 PolarHBondContact OD1-N 3.28Å; N398-V400 VanDerWaalsContact OD1-N 3.15Å; N398-N401 PolarHBondContact O-N 3.22Å; N398-N401 VanDerWaalsContact O-N 3.07Å; N398-Y404 PolarHBondContact N-OH 3.39Å; N398-Y404 PolarHBondContact O-OH 3.31Å
399P45.2Very low67Low103 Ų10364 Ų6467%0.66936%0.355SS*.THydrogen-bonded Turntrans-62.1-9.5-179.125.4-34.5000114.4N397 Y402N397-P399 VanDerWaalsContact O-CD 3.3Å; N397-P399 WeakPolarHBondContact O-CD 3.33Å; P399-Y402 WeakPolarHBondContact O-CE2 3.37Å
400V50.3Low67Low113 Ų11357.1 Ų57.169%0.68532%0.319SS*.THydrogen-bonded Turntrans-86.7-20.5178.8-171.10000112.5N398N398-V400 PolarHBondContact O-N 3.24Å; N398-V400 WeakPolarHBondContact OD1-CB 3.25Å; N398-V400 WeakPolarHBondContact OD1-CG2 3.37Å; N398-V400 PolarHBondContact OD1-N 3.28Å; N398-V400 VanDerWaalsContact OD1-N 3.15Å
401N46.8Very low66.8Low80 Ų8060.9 Ų60.943%0.42833%0.333SS..  trans-107.778.8-176.1-73.9-15.7000111.5N398 L403 Y404N398-N401 PolarHBondContact O-N 3.22Å; N398-N401 VanDerWaalsContact O-N 3.07Å; N401-L403 PolarHBondContact O-N 2.67Å; N401-Y404 WeakPolarHBondContact O-CE2 3.44Å
402Y42.6Very low66.9Low215 Ų21561.3 Ų61.384%0.84333%0.326SS*.  trans-64.824.4176.8-82.2-92.2000115.7P399P399-Y402 WeakPolarHBondContact O-CE2 3.37Å
403L51.7Low66.7Low127 Ų12762.1 Ų62.167%0.66533%0.331SS*.  trans-12648.6-170.2-144.778.4000112.4N401 S405 S408N401-L403 PolarHBondContact O-N 2.67Å; L403-S405 VanDerWaalsContact C-N 3.32Å; L403-S405 PolarHBondContact O-N 3.26Å; L403-S405 VanDerWaalsContact O-N 3.1Å; L403-S408 WeakPolarHBondContact O-CB 3.45Å; L403-S408 PolarHBondContact O-OG 3.37Å
404Y70.6Confident67.1Low58 Ų5864.3 Ų64.323%0.22734%0.344CS..  trans-81.976.7173.8-60-59.2000110.6P370 G371 L395 S396 N398 N401P370-Y404 CarbonylContact C-O 3.43Å; P370-Y404 WeakPolarHBondContact CA-O 3.44Å; G371-Y404 PolarHBondContact N-O 3.08Å; L395-Y404 VanDerWaalsContact C-CE1 3.45Å; L395-Y404 WeakPolarHBondContact O-CE1 3.43Å; L395-Y404 PolarHBondContact O-OH 3.17Å; S396-Y404 VanDerWaalsContact C-CZ 3.41Å; S396-Y404 VanDerWaalsContact O-CE2 3.29Å; S396-Y404 WeakPolarHBondContact O-CE2 3.01Å; S396-Y404 PolarHBondContact O-OH 3.24Å; N398-Y404 PolarHBondContact N-OH 3.39Å; N398-Y404 PolarHBondContact O-OH 3.31Å; N401-Y404 WeakPolarHBondContact O-CE2 3.44Å
405S82.5Confident68.3Low16 Ų1662.2 Ų62.211%0.11232%0.322CS..BIsolated β-bridgetrans-118155.6173.576.80000111.3S368 L369 L403 D407 S408 C409S368-S405 WeakPolarHBondContact OG-CB 3.27Å; S368-S405 PolarHBondContact OG-OG 3.43Å; L369-S405 WeakPolarHBondContact O-CA 3.46Å; L403-S405 VanDerWaalsContact C-N 3.32Å; L403-S405 PolarHBondContact O-N 3.26Å; L403-S405 VanDerWaalsContact O-N 3.1Å; S405-D407 PolarHBondContact O-N 3.34Å; S405-S408 PolarHBondContact O-N 3.44Å; S405-S408 PolarHBondContact OG-N 3.5Å; S405-C409 PolarHBondContact O-N 2.89Å
406C86.6Confident69.7Low3 Ų358.4 Ų58.42%0.0230%0.302CS..Hα-helixtrans-50.2-36.9172.7164.70000112.3L369 S410 F417 C481L369-C406 HydrophobicContact CB-CB 4.38Å; L369-C406 WeakPolarHBondContact O-CB 3.34Å; L369-C406 PolarHBondContact O-N 3.15Å; C406-S410 WeakPolarHBondContact O-CB 3.33Å; C406-S410 PolarHBondContact O-N 3.21Å; C406-F417 HydrophobicContact CB-CD1 3.62Å; C406-F417 HydrophobicContact CB-CD2 3.89Å; C406-F417 HydrophobicContact CB-CE1 3.62Å; C406-F417 HydrophobicContact CB-CE2 3.86Å; C406-F417 HydrophobicContact CB-CG 3.75Å; C406-F417 HydrophobicContact CB-CZ 3.72Å; C406-C481 HydrophobicContact CB-CB 4.17Å; C406-C481 WeakPolarHBondContact CB-SG 3.06Å; C406-C481 WeakPolarHBondContact SG-CA 3.44Å; C406-C481 WeakPolarHBondContact SG-CB 3.39Å; C406-C481 CovalentContact SG-SG 2.04Å; C406-C481 PolarHBondContact SG-SG 3.37Å
407D85.2Confident71.5Confident13 Ų1357.5 Ų57.57%0.0730%0.295CS..Hα-helixtrans-61.4-50.8173.7174.872.4000112A365 S405 C409 S410 Y411A365-D407 HydrophobicContact CB-CB 4.45Å; A365-D407 WeakPolarHBondContact CB-OD2 3.46Å; S405-D407 PolarHBondContact O-N 3.34Å; D407-C409 VanDerWaalsContact C-N 3.34Å; D407-C409 PolarHBondContact O-N 2.71Å; D407-S410 WeakPolarHBondContact O-CB 3.47Å; D407-S410 PolarHBondContact O-N 3.42Å; D407-S410 VanDerWaalsContact O-N 3.12Å; D407-S410 PolarHBondContact O-OG 2.91Å; D407-Y411 WeakPolarHBondContact O-CD2 3.4Å; D407-Y411 WeakPolarHBondContact O-CE2 3.39Å; D407-Y411 WeakPolarHBondContact OD1-CE2 3.23Å; D407-Y411 PolarHBondContact OD1-OH 2.67Å; D407-Y411 WeakPolarHBondContact OD2-CE2 3.47Å
408S83.6Confident73.5Confident39 Ų3952.7 Ų52.727%0.27327%0.27SS..Hα-helixtrans-63.6-38.9179.7-64.80000112.6L403 S405 S410L403-S408 WeakPolarHBondContact O-CB 3.45Å; L403-S408 PolarHBondContact O-OG 3.37Å; S405-S408 PolarHBondContact O-N 3.44Å; S405-S408 PolarHBondContact OG-N 3.5Å; S408-S410 VanDerWaalsContact C-N 3.31Å; S408-S410 PolarHBondContact O-N 2.88Å
409C85.2Confident75.3Confident8 Ų850.9 Ų50.95%0.05426%0.258CS..Hα-helixtrans-63-37.3174.7-172.70000112.1S405 D407 Y411 E412 G416 F417 C432S405-C409 PolarHBondContact O-N 2.89Å; D407-C409 VanDerWaalsContact C-N 3.34Å; D407-C409 PolarHBondContact O-N 2.71Å; C409-Y411 VanDerWaalsContact C-N 3.28Å; C409-Y411 PolarHBondContact O-N 2.69Å; C409-E412 PolarHBondContact O-N 3.41Å; C409-G416 VanDerWaalsContact SG-C 3.58Å; C409-G416 PolarHBondContact SG-O 2.86Å; C409-G416 VanDerWaalsContact SG-O 3.32Å; C409-F417 HydrophobicContact CB-CD2 4.16Å; C409-C432 HydrophobicContact CB-CB 3.79Å; C409-C432 WeakPolarHBondContact CB-SG 3.26Å; C409-C432 WeakPolarHBondContact SG-CB 3.18Å; C409-C432 CovalentContact SG-SG 2.04Å; C409-C432 PolarHBondContact SG-SG 3.36Å
410S83Confident77.4Confident4 Ų447.2 Ų47.23%0.02823%0.232CC..Hα-helixtrans-68.3-21.5-174.378.70000114.9C406 D407 S408 E412C406-S410 WeakPolarHBondContact O-CB 3.33Å; C406-S410 PolarHBondContact O-N 3.21Å; D407-S410 WeakPolarHBondContact O-CB 3.47Å; D407-S410 PolarHBondContact O-N 3.42Å; D407-S410 VanDerWaalsContact O-N 3.12Å; D407-S410 PolarHBondContact O-OG 2.91Å; S408-S410 VanDerWaalsContact C-N 3.31Å; S408-S410 PolarHBondContact O-N 2.88Å; S410-E412 VanDerWaalsContact C-N 3.34Å
411Y79.6Confident78.9Confident87 Ų8743.9 Ų43.934%0.34121%0.213SC..THydrogen-bonded Turntrans-77.1-22.9176.5-64.8-62000112.9M291 D407 C409M291-Y411 HydrophobicContact SD-CD1 4.19Å; M291-Y411 HydrophobicContact SD-CE1 3.98Å; D407-Y411 WeakPolarHBondContact O-CD2 3.4Å; D407-Y411 WeakPolarHBondContact O-CE2 3.39Å; D407-Y411 WeakPolarHBondContact OD1-CE2 3.23Å; D407-Y411 PolarHBondContact OD1-OH 2.67Å; D407-Y411 WeakPolarHBondContact OD2-CE2 3.47Å; C409-Y411 VanDerWaalsContact C-N 3.28Å; C409-Y411 PolarHBondContact O-N 2.69Å
412E81.8Confident80.6Confident89 Ų8947.8 Ų47.842%0.41623%0.234SC..SBendtrans-77.9137.2-177.6-153.258.5-150.500110.7L395 C409 S410 D414 C415L395-E412 HydrophobicContact CD1-CG 4.49Å; C409-E412 PolarHBondContact O-N 3.41Å; S410-E412 VanDerWaalsContact C-N 3.34Å; E412-D414 VanDerWaalsContact C-N 3.34Å; E412-D414 PolarHBondContact O-N 2.88Å; E412-C415 HydrophobicContact CB-CB 3.96Å; E412-C415 HydrophobicContact CG-CB 4.43Å; E412-C415 WeakPolarHBondContact CG-SG 3.27Å
413T78.8Confident82.4Confident18 Ų1838.9 Ų38.911%0.1121%0.205CC..SBendtrans-78-19.4-171.149.90000114.5R442 Y478T413-R442 PolarHBondContact O-NE 3.39Å; T413-R442 PolarHBondContact O-NH1 3.47Å; T413-Y478 PolarHBondContact O-OH 3.29Å
414D82.8Confident83.7Confident58 Ų5843 Ų4331%0.3122%0.22SC..SBendtrans-104-12.6-177.4-74.2-70.2000113E412 S434 T435 R442E412-D414 VanDerWaalsContact C-N 3.34Å; E412-D414 PolarHBondContact O-N 2.88Å; D414-S434 WeakPolarHBondContact O-CA 3.45Å; D414-T435 PolarHBondContact O-N 2.65Å; D414-R442 IonicContact OD1-CZ 3.34Å; D414-R442 IonicContact OD1-NE 3.02Å; D414-R442 PolarHBondContact OD1-NE 3.36Å; D414-R442 IonicContact OD1-NH2 2.72Å; D414-R442 PolarHBondContact OD1-NH2 3.15Å; D414-R442 IonicContact OD2-NH2 3.44Å; D414-R442 PolarHBondContact OD2-NH2 2.89Å
415C87Confident84.3Confident1 Ų144.2 Ų44.21%0.00723%0.231CC..EExtended strand (participates in β ladder)trans-105.2144.6-171-46.60000112.1C392 E412 I433 Y478C392-C415 VanDerWaalsContact CA-SG 3.57Å; C392-C415 HydrophobicContact CB-CB 3.73Å; C392-C415 WeakPolarHBondContact CB-SG 3.28Å; C392-C415 WeakPolarHBondContact SG-CA 3.4Å; C392-C415 WeakPolarHBondContact SG-CB 3.41Å; C392-C415 CovalentContact SG-SG 2.02Å; C392-C415 PolarHBondContact SG-SG 3.4Å; E412-C415 HydrophobicContact CB-CB 3.96Å; E412-C415 HydrophobicContact CG-CB 4.43Å; E412-C415 WeakPolarHBondContact CG-SG 3.27Å; C415-I433 WeakPolarHBondContact CA-O 3.24Å; C415-Y478 WeakPolarHBondContact O-CD2 3.38Å; C415-Y478 WeakPolarHBondContact O-CE2 3.26Å
416G87.8Confident83.9Confident1 Ų147.5 Ų47.51%0.0125%0.245CC..EExtended strand (participates in β ladder)trans-129.1167.6165.500000110.8C409 C432 I433 D477C409-G416 VanDerWaalsContact SG-C 3.58Å; C409-G416 PolarHBondContact SG-O 2.86Å; C409-G416 VanDerWaalsContact SG-O 3.32Å; G416-C432 WeakPolarHBondContact O-CA 3.4Å; G416-I433 PolarHBondContact N-O 3.36Å; G416-I433 PolarHBondContact O-N 3.1Å; G416-I433 VanDerWaalsContact O-O 3.12Å; G416-D477 WeakPolarHBondContact CA-O 3.43Å
417F90Very high83.5Confident4 Ų451.5 Ų51.52%0.01827%0.267CS..EExtended strand (participates in β ladder)trans-110.6119.8-174.5-165.6-100.8000110.3L369 C406 C409 Y419 G430 S431 D477L369-F417 HydrophobicContact CB-CE1 3.79Å; L369-F417 HydrophobicContact CB-CZ 3.95Å; L369-F417 HydrophobicContact CD2-CE1 4.37Å; L369-F417 WeakPolarHBondContact O-CZ 3.3Å; C406-F417 HydrophobicContact CB-CD1 3.62Å; C406-F417 HydrophobicContact CB-CD2 3.89Å; C406-F417 HydrophobicContact CB-CE1 3.62Å; C406-F417 HydrophobicContact CB-CE2 3.86Å; C406-F417 HydrophobicContact CB-CG 3.75Å; C406-F417 HydrophobicContact CB-CZ 3.72Å; C409-F417 HydrophobicContact CB-CD2 4.16Å; F417-Y419 AromaticContact CD1-CD1 3.65Å; F417-Y419 HydrophobicContact CD1-CD1 3.65Å; F417-Y419 HydrophobicContact CD1-CE1 4.36Å; F417-Y419 HydrophobicContact CD1-CG 4.3Å; F417-Y419 HydrophobicContact CE1-CD1 4Å; F417-Y419 HydrophobicContact CE1-CG 4.2Å; F417-G430 VanDerWaalsContact CZ-CA 3.48Å; F417-S431 CarbonylContact C-O 3.59Å; F417-S431 WeakPolarHBondContact CA-O 3.2Å; F417-D477 PolarHBondContact N-O 3.27Å; F417-D477 PolarHBondContact O-N 3.13Å
418C89.9Confident83.3Confident1 Ų153.3 Ų53.31%0.00728%0.28CS..EExtended strand (participates in β ladder)trans-101.1129.9176.6-177.90000110G430 S431 I433 C452 V475 F476C418-G430 CarbonylContact O-C 3.46Å; C418-G430 VanDerWaalsContact O-CA 3.31Å; C418-G430 WeakPolarHBondContact O-CA 3.39Å; C418-S431 PolarHBondContact N-O 3.2Å; C418-S431 PolarHBondContact O-N 3.11Å; C418-I433 HydrophobicContact CB-CG2 4.27Å; C418-C452 WeakPolarHBondContact CA-SG 2.97Å; C418-C452 HydrophobicContact CB-CB 3.69Å; C418-C452 WeakPolarHBondContact CB-SG 3.46Å; C418-C452 WeakPolarHBondContact SG-CB 3.34Å; C418-C452 PolarHBondContact SG-N 2.9Å; C418-C452 CovalentContact SG-SG 2.02Å; C418-C452 PolarHBondContact SG-SG 3.11Å; C418-V475 WeakPolarHBondContact CA-O 3.38Å; C418-F476 HydrophobicContact CB-CD2 4.31Å
419Y89.8Confident83.4Confident31 Ų3152 Ų5212%0.12227%0.271CS..EExtended strand (participates in β ladder)trans-152.3167.1177.364.9-76.2000111.1L369 F417 A474 V475 D477L369-Y419 HydrophobicContact CD2-CD2 3.65Å; L369-Y419 HydrophobicContact CD2-CE2 4.31Å; L369-Y419 HydrophobicContact CD2-CG 3.92Å; F417-Y419 AromaticContact CD1-CD1 3.65Å; F417-Y419 HydrophobicContact CD1-CD1 3.65Å; F417-Y419 HydrophobicContact CD1-CE1 4.36Å; F417-Y419 HydrophobicContact CD1-CG 4.3Å; F417-Y419 HydrophobicContact CE1-CD1 4Å; F417-Y419 HydrophobicContact CE1-CG 4.2Å; Y419-A474 CarbonylContact O-C 3.54Å; Y419-A474 WeakPolarHBondContact O-CA 3.12Å; Y419-V475 HydrophobicContact CE1-CB 4.31Å; Y419-V475 HydrophobicContact CE1-CG1 4.16Å; Y419-V475 PolarHBondContact N-O 3Å; Y419-V475 PolarHBondContact O-N 3.29Å; Y419-D477 HydrophobicContact CE1-CB 4.18Å; Y419-D477 VanDerWaalsContact CE1-OD2 3.29Å; Y419-D477 WeakPolarHBondContact CE1-OD2 3.49Å; Y419-D477 PolarHBondContact OH-OD2 3.15Å
420I88.7Confident83.5Confident26 Ų2651.7 Ų51.713%0.13327%0.268CS..  trans-108.8112.8176.4-60.2171.6000108.1A423 T429 E471 K473 A474I420-A423 HydrophobicContact CB-CB 4.31Å; I420-A423 HydrophobicContact CG2-CB 4.21Å; I420-T429 HydrophobicContact CB-CG2 4.24Å; I420-T429 PolarHBondContact N-OG1 3Å; I420-E471 HydrophobicContact CD1-CG 3.96Å; I420-E471 HydrophobicContact CG1-CG 4.39Å; I420-K473 HydrophobicContact CG2-CB 3.78Å; I420-A474 HydrophobicContact CG1-CB 4.35Å
421P83Confident83.8Confident43 Ų4351.6 Ų51.628%0.27927%0.268SS..THydrogen-bonded Turntrans-62147.9169.830.8-34.8000110.3A423 K473 V475P421-A423 PolarHBondContact O-N 3.11Å; P421-A423 VanDerWaalsContact O-N 3.15Å; P421-K473 WeakPolarHBondContact CD-O 3.31Å; P421-V475 HydrophobicContact CG-CG2 3.7Å
422D81.4Confident84.2Confident162 Ų16248.5 Ų48.587%0.86626%0.259SS*.THydrogen-bonded Turntrans5922177.4-50.6-45.9000115.4
423A81.2Confident84.5Confident28 Ų2844.3 Ų44.323%0.23124%0.239CC..  trans-67.7146.1169.300000111.2I420 P421 D425 M426 T429I420-A423 HydrophobicContact CB-CB 4.31Å; I420-A423 HydrophobicContact CG2-CB 4.21Å; P421-A423 PolarHBondContact O-N 3.11Å; P421-A423 VanDerWaalsContact O-N 3.15Å; A423-D425 PolarHBondContact O-N 3.19Å; A423-M426 PolarHBondContact O-N 2.95Å; A423-T429 HydrophobicContact CB-CG2 3.46Å; A423-T429 VanDerWaalsContact CB-CG2 3.46Å
424E79.5Confident85Confident213 Ų21344.2 Ų44.2100%0.99524%0.239SC*.THydrogen-bonded Turntrans-57.2-38.5178.2-69.6-176.4175.100112.2
425D81.9Confident85.2Confident84 Ų8441.8 Ų41.845%0.44923%0.226SC..THydrogen-bonded Turntrans-118.684.4168.8-17918.2000110.4A423 N427 S428 T429A423-D425 PolarHBondContact O-N 3.19Å; D425-N427 PolarHBondContact O-N 3.45Å; D425-N427 VanDerWaalsContact O-N 3.15Å; D425-N427 PolarHBondContact OD1-N 2.79Å; D425-S428 PolarHBondContact O-N 3.35Å; D425-S428 PolarHBondContact O-OG 3.17Å; D425-S428 VanDerWaalsContact O-OG 3.13Å; D425-S428 WeakPolarHBondContact OD2-CB 3.04Å; D425-S428 PolarHBondContact OD2-OG 3.21Å; D425-T429 WeakPolarHBondContact O-CG2 3.32Å
426M75.2Confident85Confident84 Ų8443.9 Ų43.941%0.41424%0.237SC..G310 helixtrans-55.8-32.1179.7-168.6176.771.200112.8L369 A423 S428 T429L369-M426 HydrophobicContact CD1-CE 3.82Å; L369-M426 HydrophobicContact CD1-SD 4.26Å; L369-M426 HydrophobicContact CD2-CG 3.75Å; L369-M426 HydrophobicContact CD2-SD 4.22Å; L369-M426 HydrophobicContact CG-CE 4.14Å; L369-M426 HydrophobicContact CG-CG 4.19Å; L369-M426 HydrophobicContact CG-SD 4.43Å; A423-M426 PolarHBondContact O-N 2.95Å; M426-S428 VanDerWaalsContact C-N 3.3Å; M426-S428 PolarHBondContact O-N 3.28Å; M426-T429 PolarHBondContact O-N 2.84Å; M426-T429 PolarHBondContact O-OG1 3.14Å
427N79.1Confident84.6Confident88 Ų8847.5 Ų47.547%0.47126%0.259SS..G310 helixtrans-70.4-23.9-175.7-70.6-20.9000113.1P370 Y372 D425P370-N427 HydrophobicContact CG-CB 3.9Å; P370-N427 WeakPolarHBondContact CG-O 3.18Å; Y372-N427 WeakPolarHBondContact CD2-O 3.48Å; D425-N427 PolarHBondContact O-N 3.45Å; D425-N427 VanDerWaalsContact O-N 3.15Å; D425-N427 PolarHBondContact OD1-N 2.79Å
428S80.8Confident83.6Confident50 Ų5050.4 Ų50.435%0.3528%0.277SS..G310 helixtrans-95.21.3179.957.30000113.9Y373 D425 M426Y373-S428 WeakPolarHBondContact CB-O 3.22Å; D425-S428 PolarHBondContact O-N 3.35Å; D425-S428 PolarHBondContact O-OG 3.17Å; D425-S428 VanDerWaalsContact O-OG 3.13Å; D425-S428 WeakPolarHBondContact OD2-CB 3.04Å; D425-S428 PolarHBondContact OD2-OG 3.21Å; M426-S428 VanDerWaalsContact C-N 3.3Å; M426-S428 PolarHBondContact O-N 3.28Å
429T85.1Confident82.4Confident13 Ų1358.3 Ų58.38%0.0832%0.319CS..SBendtrans-94.3-15.7-17568.30000115.1I420 A423 D425 M426 R451I420-T429 HydrophobicContact CB-CG2 4.24Å; I420-T429 PolarHBondContact N-OG1 3Å; A423-T429 HydrophobicContact CB-CG2 3.46Å; A423-T429 VanDerWaalsContact CB-CG2 3.46Å; D425-T429 WeakPolarHBondContact O-CG2 3.32Å; M426-T429 PolarHBondContact O-N 2.84Å; M426-T429 PolarHBondContact O-OG1 3.14Å; T429-R451 VanDerWaalsContact O-CZ 3.31Å; T429-R451 PolarHBondContact O-NH1 3.26Å; T429-R451 PolarHBondContact O-NH2 2.86Å
430G87.7Confident81.3Confident0 Ų059.5 Ų59.50%034%0.341CS..  trans-77.4138.9-173.800000113.8G371 Y372 Y373 F417 C418G371-G430 CarbonylContact C-O 3.13Å; G371-G430 WeakPolarHBondContact CA-O 3.08Å; Y372-G430 PolarHBondContact N-O 3.44Å; Y372-G430 VanDerWaalsContact N-O 3.16Å; Y373-G430 VanDerWaalsContact CB-O 3.26Å; Y373-G430 WeakPolarHBondContact CB-O 3.25Å; Y373-G430 PolarHBondContact N-O 3.38Å; F417-G430 VanDerWaalsContact CZ-CA 3.48Å; C418-G430 CarbonylContact O-C 3.46Å; C418-G430 VanDerWaalsContact O-CA 3.31Å; C418-G430 WeakPolarHBondContact O-CA 3.39Å
431S88.1Confident80.1Confident3 Ų363.2 Ų63.22%0.02136%0.358CS..EExtended strand (participates in β ladder)trans-141.1139.6171.359.10000110.9Y373 E375 F417 C418 R451Y373-S431 VanDerWaalsContact O-CB 3.28Å; Y373-S431 WeakPolarHBondContact O-CB 3.48Å; E375-S431 PolarHBondContact OE2-OG 2.79Å; F417-S431 CarbonylContact C-O 3.59Å; F417-S431 WeakPolarHBondContact CA-O 3.2Å; C418-S431 PolarHBondContact N-O 3.2Å; C418-S431 PolarHBondContact O-N 3.11Å; S431-R451 PolarHBondContact OG-NH2 3.27Å
432C88.3Confident79.6Confident22 Ų2262 Ų6215%0.14935%0.348CS..EExtended strand (participates in β ladder)trans-96.4123.4173.8-172.30000109.2C409 G416C409-C432 HydrophobicContact CB-CB 3.79Å; C409-C432 WeakPolarHBondContact CB-SG 3.26Å; C409-C432 WeakPolarHBondContact SG-CB 3.18Å; C409-C432 CovalentContact SG-SG 2.04Å; C409-C432 PolarHBondContact SG-SG 3.36Å; G416-C432 WeakPolarHBondContact O-CA 3.4Å
433I89.1Confident79.2Confident1 Ų155.2 Ų55.21%0.00531%0.313CS..EExtended strand (participates in β ladder)trans-143147.2-168.9-175.4159.4000111.1E375 C415 G416 C418 A447 Y449 F476E375-I433 HydrophobicContact CG-CD1 3.96Å; C415-I433 WeakPolarHBondContact CA-O 3.24Å; G416-I433 PolarHBondContact N-O 3.36Å; G416-I433 PolarHBondContact O-N 3.1Å; G416-I433 VanDerWaalsContact O-O 3.12Å; C418-I433 HydrophobicContact CB-CG2 4.27Å; I433-A447 HydrophobicContact CD1-CB 4.09Å; I433-A447 HydrophobicContact CG1-CB 4.25Å; I433-A447 HydrophobicContact CG2-CB 3.59Å; I433-Y449 HydrophobicContact CD1-CD1 3.75Å; I433-Y449 HydrophobicContact CD1-CD2 3.52Å; I433-Y449 HydrophobicContact CD1-CE1 3.58Å; I433-Y449 HydrophobicContact CD1-CE2 3.37Å; I433-Y449 HydrophobicContact CD1-CG 3.69Å; I433-Y449 WeakPolarHBondContact CD1-O 3.39Å; I433-Y449 HydrophobicContact CG1-CD1 4.19Å; I433-Y449 HydrophobicContact CG1-CE1 3.69Å; I433-Y449 HydrophobicContact CG1-CE2 4.22Å; I433-F476 HydrophobicContact CG2-CD2 4.47Å; I433-F476 HydrophobicContact CG2-CE2 3.76Å
434S89.1Confident78.9Confident16 Ų1656.4 Ų56.411%0.11232%0.317CS..EExtended strand (participates in β ladder)trans-59.3140.3174.1-80.80000111.8D390 C392 D414 L448D390-S434 WeakPolarHBondContact OD1-CB 3.37Å; D390-S434 PolarHBondContact OD1-OG 2.86Å; D390-S434 PolarHBondContact OD2-N 3.21Å; D390-S434 VanDerWaalsContact OD2-N 3.08Å; C392-S434 PolarHBondContact SG-OG 2.88Å; D414-S434 WeakPolarHBondContact O-CA 3.45Å; S434-L448 VanDerWaalsContact O-CB 3.24Å; S434-L448 WeakPolarHBondContact O-CB 3.23Å; S434-L448 PolarHBondContact O-N 2.94Å
435T86.8Confident78.9Confident6 Ų649.8 Ų49.84%0.03729%0.289CS..EExtended strand (participates in β ladder)trans-75.8152171.4-176.30000111.9D414 R442 S443 Q446 Y478D414-T435 PolarHBondContact O-N 2.65Å; T435-R442 HydrophobicContact CG2-CB 3.93Å; T435-R442 HydrophobicContact CG2-CG 3.95Å; T435-S443 PolarHBondContact OG1-O 2.7Å; T435-Q446 PolarHBondContact OG1-O 2.78Å; T435-Y478 HydrophobicContact CG2-CE2 4.13Å
436M82.8Confident78.9Confident45 Ų4546.8 Ų46.822%0.22227%0.272CS..EExtended strand (participates in β ladder)trans-69.1135.7173.1-174.3173.4178.300111.2S443 Q446 A457M436-S443 PolarHBondContact O-N 2.04Å; M436-Q446 HydrophobicContact CB-CG 3.61Å; M436-Q446 HydrophobicContact CG-CG 4.39Å; M436-Q446 PolarHBondContact N-O 3.37Å; M436-Q446 VanDerWaalsContact SD-CD 3.52Å; M436-Q446 HydrophobicContact SD-CG 4.03Å; M436-Q446 PolarHBondContact SD-NE2 2.99Å; M436-A457 HydrophobicContact CE-CB 4.43Å
437V78.2Confident79.4Confident78 Ų7842.9 Ų42.947%0.47325%0.253SS..EExtended strand (participates in β ladder)trans-105.9119.1172.5-173.40000109Q441 R442V437-Q441 CarbonylContact C-O 3.53Å; V437-Q441 WeakPolarHBondContact CA-O 3.4Å; V437-R442 HydrophobicContact CG2-CG 4.19Å
438T70Confident79.8Confident64 Ų6442.8 Ų42.839%0.39325%0.252SS..EExtended strand (participates in β ladder)trans-117.7126.2176.1-520000108.6G440 Q441T438-G440 PolarHBondContact O-N 3.41Å; T438-G440 VanDerWaalsContact O-N 3.09Å; T438-Q441 PolarHBondContact N-O 3.47Å; T438-Q441 WeakPolarHBondContact O-CA 3.09Å; T438-Q441 PolarHBondContact O-N 2.95Å; T438-Q441 VanDerWaalsContact O-O 3.07Å
439D65.7Low80Confident167 Ų16740.5 Ų40.589%0.89324%0.235SC*.THydrogen-bonded Turntrans49.636.3-178.4-62.7-32.6000114.5Q441D439-Q441 PolarHBondContact O-N 3.46Å
440G64.9Low80.1Confident57 Ų5739.9 Ų39.959%0.58823%0.232SC*.THydrogen-bonded Turntrans76.3-2.2-177.600000115.1T438T438-G440 PolarHBondContact O-N 3.41Å; T438-G440 VanDerWaalsContact O-N 3.09Å
441Q64.5Low80.2Confident103 Ų10340.1 Ų40.148%0.48123%0.233SC..EExtended strand (participates in β ladder)trans-98.6135.3173.6-61.5-166.1-39.100110.7V437 T438 D439V437-Q441 CarbonylContact C-O 3.53Å; V437-Q441 WeakPolarHBondContact CA-O 3.4Å; T438-Q441 PolarHBondContact N-O 3.47Å; T438-Q441 WeakPolarHBondContact O-CA 3.09Å; T438-Q441 PolarHBondContact O-N 2.95Å; T438-Q441 VanDerWaalsContact O-O 3.07Å; D439-Q441 PolarHBondContact O-N 3.46Å
442R72.2Confident80.2Confident19 Ų1940 Ų407%0.07223%0.232CC..EExtended strand (participates in β ladder)trans-77.2132.4175-70-167.4-174.3113.81.8110N47 T413 D414 T435 V437 Y478N47-R442 PolarHBondContact ND2-NH2 3.36Å; N47-R442 PolarHBondContact OD1-NH1 2.92Å; N47-R442 PolarHBondContact OD1-NH2 2.71Å; T413-R442 PolarHBondContact O-NE 3.39Å; T413-R442 PolarHBondContact O-NH1 3.47Å; D414-R442 IonicContact OD1-CZ 3.34Å; D414-R442 IonicContact OD1-NE 3.02Å; D414-R442 PolarHBondContact OD1-NE 3.36Å; D414-R442 IonicContact OD1-NH2 2.72Å; D414-R442 PolarHBondContact OD1-NH2 3.15Å; D414-R442 IonicContact OD2-NH2 3.44Å; D414-R442 PolarHBondContact OD2-NH2 2.89Å; T435-R442 HydrophobicContact CG2-CB 3.93Å; T435-R442 HydrophobicContact CG2-CG 3.95Å; V437-R442 HydrophobicContact CG2-CG 4.19Å; R442-Y478 WeakPolarHBondContact CD-OH 3.48Å
443S73.9Confident80.1Confident19 Ų1939.5 Ų39.513%0.13323%0.229CC..EExtended strand (participates in β ladder)trans-71.1140.2167.7-172.90000109.9T435 M436 N445 Q446T435-S443 PolarHBondContact OG1-O 2.7Å; M436-S443 PolarHBondContact O-N 2.04Å; S443-N445 PolarHBondContact OG-N 3.15Å; S443-Q446 WeakPolarHBondContact OG-CG 3.3Å; S443-Q446 PolarHBondContact OG-NE2 2.97Å
444T75.2Confident79.8Confident52 Ų5240.3 Ų40.332%0.31923%0.233SC..EExtended strand (participates in β ladder)trans-92.4-8.1173.359.20000112.3F44 Y478F44-T444 HydrophobicContact CD1-CG2 4.41Å; F44-T444 HydrophobicContact CD2-CG2 4.28Å; F44-T444 HydrophobicContact CG-CG2 4.19Å; T444-Y478 HydrophobicContact CG2-CD1 3.92Å; T444-Y478 HydrophobicContact CG2-CE1 4.21Å
445N78.1Confident78.9Confident75 Ų7544.4 Ų44.440%0.40125%0.253SS..EExtended strand (participates in β ladder)trans-124.30.4-163-59.5-19.1000113.3S443 F469S443-N445 PolarHBondContact OG-N 3.15Å; N445-F469 WeakPolarHBondContact O-CE1 3.3Å; N445-F469 WeakPolarHBondContact O-CZ 3.4Å
446Q82.7Confident77.7Confident21 Ų2149.4 Ų49.410%0.09828%0.279CS..EExtended strand (participates in β ladder)trans-145.5143.8179.776.7-156.8-21.300112T435 M436 S443 V454 F469 F476T435-Q446 PolarHBondContact OG1-O 2.78Å; M436-Q446 HydrophobicContact CB-CG 3.61Å; M436-Q446 HydrophobicContact CG-CG 4.39Å; M436-Q446 PolarHBondContact N-O 3.37Å; M436-Q446 VanDerWaalsContact SD-CD 3.52Å; M436-Q446 HydrophobicContact SD-CG 4.03Å; M436-Q446 PolarHBondContact SD-NE2 2.99Å; S443-Q446 WeakPolarHBondContact OG-CG 3.3Å; S443-Q446 PolarHBondContact OG-NE2 2.97Å; Q446-V454 HydrophobicContact CB-CG1 3.82Å; Q446-F469 HydrophobicContact CB-CE1 4.37Å; Q446-F476 WeakPolarHBondContact O-CE1 3.36Å
447A86.2Confident76.3Confident1 Ų150.5 Ų50.51%0.00830%0.296CS..EExtended strand (participates in β ladder)trans-80157.5171.500000111.1I433 Y449 C452 F476I433-A447 HydrophobicContact CD1-CB 4.09Å; I433-A447 HydrophobicContact CG1-CB 4.25Å; I433-A447 HydrophobicContact CG2-CB 3.59Å; A447-Y449 VanDerWaalsContact C-N 3.28Å; A447-Y449 WeakPolarHBondContact CB-O 3.14Å; A447-Y449 PolarHBondContact O-N 3.26Å; A447-C452 HydrophobicContact CB-CB 3.8Å; A447-C452 PolarHBondContact N-O 2.88Å; A447-F476 HydrophobicContact CB-CD2 4.04Å; A447-F476 HydrophobicContact CB-CE2 3.82Å; A447-F476 HydrophobicContact CB-CZ 4.4Å
448L86.5Confident74.8Confident86 Ų8654.6 Ų54.645%0.4532%0.315SS..SBendtrans-62-35.5175-178.765.1000112.3S434S434-L448 VanDerWaalsContact O-CB 3.24Å; S434-L448 WeakPolarHBondContact O-CB 3.23Å; S434-L448 PolarHBondContact O-N 2.94Å
449Y85.9Confident73.6Confident2 Ų255.5 Ų55.51%0.00832%0.321CS..SBendtrans-152.7179.5179.161.6-86.7000111.1E375 Y383 M386 A387 D390 F393 I433 A447E375-Y449 HydrophobicContact CB-CE2 4.15Å; E375-Y449 HydrophobicContact CG-CD2 4.3Å; E375-Y449 HydrophobicContact CG-CE2 4.15Å; Y383-Y449 HydrophobicContact CD1-CD2 4.5Å; Y383-Y449 HydrophobicContact CD1-CG 4.42Å; Y383-Y449 HydrophobicContact CG-CD2 4.17Å; M386-Y449 HydrophobicContact CB-CD1 3.86Å; M386-Y449 HydrophobicContact CB-CD2 4.49Å; M386-Y449 HydrophobicContact CB-CE1 4.29Å; M386-Y449 HydrophobicContact CB-CG 4.01Å; M386-Y449 HydrophobicContact SD-CG 4.48Å; A387-Y449 WeakPolarHBondContact CA-OH 3.43Å; A387-Y449 HydrophobicContact CB-CE2 3.78Å; D390-Y449 HydrophobicContact CB-CE1 3.92Å; D390-Y449 WeakPolarHBondContact CB-OH 3.48Å; D390-Y449 WeakPolarHBondContact OD2-CE1 3.29Å; D390-Y449 PolarHBondContact OD2-OH 3.01Å; F393-Y449 WeakPolarHBondContact CB-OH 3.33Å; I433-Y449 HydrophobicContact CD1-CD1 3.75Å; I433-Y449 HydrophobicContact CD1-CD2 3.52Å; I433-Y449 HydrophobicContact CD1-CE1 3.58Å; I433-Y449 HydrophobicContact CD1-CE2 3.37Å; I433-Y449 HydrophobicContact CD1-CG 3.69Å; I433-Y449 WeakPolarHBondContact CD1-O 3.39Å; I433-Y449 HydrophobicContact CG1-CD1 4.19Å; I433-Y449 HydrophobicContact CG1-CE1 3.69Å; I433-Y449 HydrophobicContact CG1-CE2 4.22Å; A447-Y449 VanDerWaalsContact C-N 3.28Å; A447-Y449 WeakPolarHBondContact CB-O 3.14Å; A447-Y449 PolarHBondContact O-N 3.26Å
450G86.2Confident72.5Confident0 Ų053 Ų530%032%0.316CS..SBendtrans81.1-164.9175.400000115.3E375 C452 S453E375-G450 VanDerWaalsContact OE1-CA 3.28Å; E375-G450 WeakPolarHBondContact OE1-CA 3.45Å; G450-C452 VanDerWaalsContact C-N 3.27Å; G450-C452 PolarHBondContact O-N 2.54Å; G450-S453 WeakPolarHBondContact O-CB 3.33Å; G450-S453 PolarHBondContact O-N 3.4Å; G450-S453 PolarHBondContact O-OG 3.36Å
451R89.1Confident71.6Confident6 Ų652.8 Ų52.82%0.02330%0.303CS..THydrogen-bonded Turntrans-53.5-39.5-177.5-73.6175.7-59.9154.610.6113.2Y373 E375 F378 T429 S431 S453 M470 E471 A474Y373-R451 VanDerWaalsContact CG-NH2 3.31Å; E375-R451 WeakPolarHBondContact OE1-CB 3.46Å; E375-R451 VanDerWaalsContact OE1-CG 3.28Å; E375-R451 WeakPolarHBondContact OE1-CG 2.95Å; E375-R451 PolarHBondContact OE1-N 3.3Å; E375-R451 IonicContact OE1-NE 2.94Å; E375-R451 PolarHBondContact OE1-NE 3Å; E375-R451 IonicContact OE2-CZ 3.18Å; E375-R451 IonicContact OE2-NE 3.17Å; E375-R451 PolarHBondContact OE2-NE 3.38Å; E375-R451 IonicContact OE2-NH2 3.24Å; E375-R451 PolarHBondContact OE2-NH2 2.92Å; F378-R451 HydrophobicContact CD1-CG 4.25Å; F378-R451 HydrophobicContact CD2-CG 3.46Å; F378-R451 VanDerWaalsContact CD2-CG 3.46Å; F378-R451 HydrophobicContact CE1-CG 4.22Å; F378-R451 HydrophobicContact CE2-CG 3.45Å; F378-R451 VanDerWaalsContact CE2-CG 3.45Å; F378-R451 HydrophobicContact CG-CG 3.88Å; F378-R451 HydrophobicContact CZ-CG 3.84Å; T429-R451 VanDerWaalsContact O-CZ 3.31Å; T429-R451 PolarHBondContact O-NH1 3.26Å; T429-R451 PolarHBondContact O-NH2 2.86Å; S431-R451 PolarHBondContact OG-NH2 3.27Å; R451-S453 VanDerWaalsContact C-N 3.35Å; R451-M470 PolarHBondContact O-N 3.32Å; R451-E471 HydrophobicContact CB-CB 3.75Å; R451-E471 HydrophobicContact CG-CB 3.89Å; R451-E471 HydrophobicContact CG-CG 4.45Å; R451-E471 PolarHBondContact O-N 3.35Å; R451-E471 VanDerWaalsContact O-N 3.13Å; R451-A474 HydrophobicContact CB-CB 4.25Å
452C88.5Confident70.8Confident0 Ų054.6 Ų54.60%032%0.316CS..THydrogen-bonded Turntrans-90.29.9178.8-68.40000114.4C418 A447 G450 F469 V475 F476C418-C452 WeakPolarHBondContact CA-SG 2.97Å; C418-C452 HydrophobicContact CB-CB 3.69Å; C418-C452 WeakPolarHBondContact CB-SG 3.46Å; C418-C452 WeakPolarHBondContact SG-CB 3.34Å; C418-C452 PolarHBondContact SG-N 2.9Å; C418-C452 CovalentContact SG-SG 2.02Å; C418-C452 PolarHBondContact SG-SG 3.11Å; A447-C452 HydrophobicContact CB-CB 3.8Å; A447-C452 PolarHBondContact N-O 2.88Å; G450-C452 VanDerWaalsContact C-N 3.27Å; G450-C452 PolarHBondContact O-N 2.54Å; C452-F469 VanDerWaalsContact O-CD1 3.32Å; C452-F469 WeakPolarHBondContact O-CD1 3.47Å; C452-F469 WeakPolarHBondContact O-CE1 3.08Å; C452-V475 PolarHBondContact SG-O 3.5Å; C452-V475 VanDerWaalsContact SG-O 3.36Å; C452-F476 HydrophobicContact CB-CB 3.98Å; C452-F476 HydrophobicContact CB-CD2 3.93Å; C452-F476 HydrophobicContact CB-CG 4.3Å
453S86.9Confident69.4Low12 Ų1258.9 Ų58.98%0.08434%0.341CS..SBendtrans-83.8153.2167.970.10000110.3G450 R451 F469 M470G450-S453 WeakPolarHBondContact O-CB 3.33Å; G450-S453 PolarHBondContact O-N 3.4Å; G450-S453 PolarHBondContact O-OG 3.36Å; R451-S453 VanDerWaalsContact C-N 3.35Å; S453-F469 CarbonylContact O-C 3.6Å; S453-F469 WeakPolarHBondContact O-CA 3.29Å; S453-M470 WeakPolarHBondContact O-CG 3.39Å; S453-M470 PolarHBondContact O-N 3.23Å; S453-M470 PolarHBondContact OG-SD 3.44Å
454V82.3Confident68.3Low18 Ų1864.5 Ų64.511%0.10936%0.363CS..BIsolated β-bridgetrans-88.5141.8-175.7-64.40000110.7Q446 N456 L467 F469Q446-V454 HydrophobicContact CB-CG1 3.82Å; V454-N456 PolarHBondContact O-N 3.01Å; V454-L467 HydrophobicContact CB-CD2 4.07Å; V454-L467 HydrophobicContact CG1-CB 4.22Å; V454-L467 HydrophobicContact CG1-CD2 3.74Å; V454-L467 HydrophobicContact CG1-CG 4.43Å; V454-L467 HydrophobicContact CG2-CD2 4.49Å; V454-F469 HydrophobicContact CG1-CD1 3.99Å; V454-F469 HydrophobicContact CG1-CE1 4.07Å
455I69.9Low67.1Low101 Ų10166.8 Ų66.852%0.51839%0.387SS..SBendtrans-67.7-37.4-176.3-60.8170.7000111.5L468 M470I455-L468 HydrophobicContact CD1-CB 4.02Å; I455-L468 WeakPolarHBondContact CG1-O 3.33Å; I455-L468 PolarHBondContact N-O 3.02Å; I455-L468 VanDerWaalsContact N-O 3.11Å; I455-M470 HydrophobicContact CG1-CG 4.1Å
456N62.7Low65.6Low111 Ų11168.5 Ų68.559%0.59440%0.396SS*.  trans-117.986.1-175.5-72.4-21.3000111.2V454 N458V454-N456 PolarHBondContact O-N 3.01Å; N456-N458 PolarHBondContact O-N 3.48Å
457A53.7Low64.3Low68 Ų6869.7 Ų69.756%0.56240%0.403SS*.THydrogen-bonded Turntrans-66.5-17.6175.100000113.8M436M436-A457 HydrophobicContact CE-CB 4.43Å
458N46.1Very low63.4Low164 Ų16475.3 Ų75.388%0.87743%0.432SS*.THydrogen-bonded Turntrans-100.48.4-168.8-77.36.1000115.4N456N456-N458 PolarHBondContact O-N 3.48Å
459T44.3Very low63.1Low84 Ų8473 Ų7352%0.51542%0.418SS..  trans-107.2115.9176.3-31.90000109.1V461T459-V461 HydrophobicContact CG2-CG2 3.85Å; T459-V461 PolarHBondContact O-N 3.39Å
460S43.6Very low62.7Low114 Ų11474.7 Ų74.780%0.79743%0.427SS*.  trans-65.176.5164.455.20000108.5D462S460-D462 PolarHBondContact O-N 2.9Å
461V44.5Very low62.4Low53 Ų5377.8 Ų77.832%0.32144%0.441SS..  trans-83.3104.6174.6-169.40000106.5T459 N463 D466T459-V461 HydrophobicContact CG2-CG2 3.85Å; T459-V461 PolarHBondContact O-N 3.39Å; V461-N463 HydrophobicContact CG1-CB 4.41Å; V461-N463 VanDerWaalsContact CG1-O 3.25Å; V461-N463 WeakPolarHBondContact CG1-O 3.17Å; V461-N463 PolarHBondContact O-N 3.25Å; V461-D466 HydrophobicContact CG1-CB 4.47Å
462D48.3Very low61.9Low140 Ų14081.5 Ų81.575%0.74947%0.474SS*.SBendtrans-59-16.5175.6-72.7-35.8000112.4S460S460-D462 PolarHBondContact O-N 2.9Å
463N43.3Very low61.7Low110 Ų11088.5 Ų88.559%0.58850%0.504SS*.  trans-111.191.2174-71.8-21.2000111.9V461 A465 D466V461-N463 HydrophobicContact CG1-CB 4.41Å; V461-N463 VanDerWaalsContact CG1-O 3.25Å; V461-N463 WeakPolarHBondContact CG1-O 3.17Å; V461-N463 PolarHBondContact O-N 3.25Å; N463-A465 PolarHBondContact O-N 3.41Å; N463-D466 PolarHBondContact O-N 3.49Å
464F51.1Low61.6Low137 Ų13788.1 Ų88.160%0.60150%0.502SS*.G310 helixtrans-55.7-11.1176.2-73.8-95.4000115.6D466 L467F464-D466 PolarHBondContact O-N 3.39Å; F464-L467 HydrophobicContact CB-CD1 4.14Å; F464-L467 HydrophobicContact CD1-CD1 3.51Å; F464-L467 HydrophobicContact CE1-CD1 4.34Å; F464-L467 HydrophobicContact CG-CD1 4.24Å; F464-L467 PolarHBondContact O-N 2.67Å
465A48.8Very low61.8Low99 Ų9988.9 Ų88.982%0.81851%0.506SS*.G310 helixtrans-68-17.7176.100000113.6N463N463-A465 PolarHBondContact O-N 3.41Å
466D46.7Very low62.7Low112 Ų11284.5 Ų84.560%0.59948%0.483SS*.G310 helixtrans-98.710.4-178.7-67.3-31000113.6V461 N463 F464 L468V461-D466 HydrophobicContact CG1-CB 4.47Å; N463-D466 PolarHBondContact O-N 3.49Å; F464-D466 PolarHBondContact O-N 3.39Å; D466-L468 PolarHBondContact O-N 3.35Å
467L56.6Low63.8Low46 Ų4679.3 Ų79.324%0.24146%0.456CS..  trans-69.197.1175.4-76.9160.2000109.8V454 F464 F469V454-L467 HydrophobicContact CB-CD2 4.07Å; V454-L467 HydrophobicContact CG1-CB 4.22Å; V454-L467 HydrophobicContact CG1-CD2 3.74Å; V454-L467 HydrophobicContact CG1-CG 4.43Å; V454-L467 HydrophobicContact CG2-CD2 4.49Å; F464-L467 HydrophobicContact CB-CD1 4.14Å; F464-L467 HydrophobicContact CD1-CD1 3.51Å; F464-L467 HydrophobicContact CE1-CD1 4.34Å; F464-L467 HydrophobicContact CG-CD1 4.24Å; F464-L467 PolarHBondContact O-N 2.67Å; L467-F469 PolarHBondContact O-N 2.56Å
468L67.3Low65.3Low118 Ų11876.2 Ų76.262%0.61843%0.43SS*.  trans-71.3111.2166.8-75.6114.2000109.2I455 D466I455-L468 HydrophobicContact CD1-CB 4.02Å; I455-L468 WeakPolarHBondContact CG1-O 3.33Å; I455-L468 PolarHBondContact N-O 3.02Å; I455-L468 VanDerWaalsContact N-O 3.11Å; D466-L468 PolarHBondContact O-N 3.35Å
469F78.7Confident66.9Low37 Ų3768.5 Ų68.516%0.16239%0.388CS..BIsolated β-bridgetrans-62.1155.1162.3-66.5-51.1000110.6N445 Q446 C452 S453 V454 L467 E471 A474 F476N445-F469 WeakPolarHBondContact O-CE1 3.3Å; N445-F469 WeakPolarHBondContact O-CZ 3.4Å; Q446-F469 HydrophobicContact CB-CE1 4.37Å; C452-F469 VanDerWaalsContact O-CD1 3.32Å; C452-F469 WeakPolarHBondContact O-CD1 3.47Å; C452-F469 WeakPolarHBondContact O-CE1 3.08Å; S453-F469 CarbonylContact O-C 3.6Å; S453-F469 WeakPolarHBondContact O-CA 3.29Å; V454-F469 HydrophobicContact CG1-CD1 3.99Å; V454-F469 HydrophobicContact CG1-CE1 4.07Å; L467-F469 PolarHBondContact O-N 2.56Å; F469-E471 WeakPolarHBondContact CB-O 3.16Å; F469-E471 PolarHBondContact O-N 2.79Å; F469-A474 WeakPolarHBondContact CD2-O 3.25Å; F469-A474 WeakPolarHBondContact CE2-O 3.43Å; F469-F476 HydrophobicContact CZ-CB 4.4Å
470M77.5Confident68.8Low38 Ų3865.1 Ų65.119%0.18737%0.367CS..SBendtrans-56.1-34.4174.5-72.7-167.974.100112.7F378 M379 Y383 R451 S453 I455F378-M470 HydrophobicContact CE1-CB 3.91Å; F378-M470 HydrophobicContact CE1-CE 3.7Å; F378-M470 HydrophobicContact CE1-SD 3.99Å; F378-M470 HydrophobicContact CZ-CB 4.06Å; F378-M470 HydrophobicContact CZ-CE 4.45Å; M379-M470 HydrophobicContact CE-CE 4.18Å; M379-M470 HydrophobicContact CG-CE 4.26Å; Y383-M470 HydrophobicContact CE2-CE 3.94Å; Y383-M470 HydrophobicContact CE2-SD 3.94Å; Y383-M470 WeakPolarHBondContact OH-CE 3.19Å; Y383-M470 PolarHBondContact OH-SD 3.06Å; R451-M470 PolarHBondContact O-N 3.32Å; S453-M470 WeakPolarHBondContact O-CG 3.39Å; S453-M470 PolarHBondContact O-N 3.23Å; S453-M470 PolarHBondContact OG-SD 3.44Å; I455-M470 HydrophobicContact CG1-CG 4.1Å
471E80.6Confident70.8Confident65 Ų6559.8 Ų59.830%0.30433%0.329SS..SBendtrans-106.9114.8167.3178.659.3-117.700109.1I420 R451 F469 K473 A474I420-E471 HydrophobicContact CD1-CG 3.96Å; I420-E471 HydrophobicContact CG1-CG 4.39Å; R451-E471 HydrophobicContact CB-CB 3.75Å; R451-E471 HydrophobicContact CG-CB 3.89Å; R451-E471 HydrophobicContact CG-CG 4.45Å; R451-E471 PolarHBondContact O-N 3.35Å; R451-E471 VanDerWaalsContact O-N 3.13Å; F469-E471 WeakPolarHBondContact CB-O 3.16Å; F469-E471 PolarHBondContact O-N 2.79Å; E471-K473 PolarHBondContact O-N 3.41Å; E471-K473 VanDerWaalsContact O-N 3.1Å; E471-A474 HydrophobicContact CB-CB 3.88Å; E471-A474 HydrophobicContact CG-CB 4.03Å; E471-A474 WeakPolarHBondContact O-CB 3.49Å; E471-A474 PolarHBondContact O-N 3.27Å
472A79.1Confident72.6Confident85 Ų8559.5 Ų59.570%0.70233%0.329SS*.THydrogen-bonded Turntrans-62.4-25.5-169.800000113.9
473K83.6Confident74.3Confident146 Ų14653.6 Ų53.664%0.63530%0.298SS*.THydrogen-bonded Turntrans-90.2-11.9177.4-67-177176.4-178.20113.4I420 P421 E471I420-K473 HydrophobicContact CG2-CB 3.78Å; P421-K473 WeakPolarHBondContact CD-O 3.31Å; E471-K473 PolarHBondContact O-N 3.41Å; E471-K473 VanDerWaalsContact O-N 3.1Å
474A85.7Confident76.2Confident5 Ų552.9 Ų52.94%0.04130%0.3CS..  trans-68.3149.2-173.100000112.7Y419 I420 R451 F469 E471Y419-A474 CarbonylContact O-C 3.54Å; Y419-A474 WeakPolarHBondContact O-CA 3.12Å; I420-A474 HydrophobicContact CG1-CB 4.35Å; R451-A474 HydrophobicContact CB-CB 4.25Å; F469-A474 WeakPolarHBondContact CD2-O 3.25Å; F469-A474 WeakPolarHBondContact CE2-O 3.43Å; E471-A474 HydrophobicContact CB-CB 3.88Å; E471-A474 HydrophobicContact CG-CB 4.03Å; E471-A474 WeakPolarHBondContact O-CB 3.49Å; E471-A474 PolarHBondContact O-N 3.27Å
475V86.8Confident77.8Confident34 Ų3450.2 Ų50.221%0.20629%0.286CS..EExtended strand (participates in β ladder)trans-127.5135.6176.1176.40000108.9C418 Y419 P421 C452C418-V475 WeakPolarHBondContact CA-O 3.38Å; Y419-V475 HydrophobicContact CE1-CB 4.31Å; Y419-V475 HydrophobicContact CE1-CG1 4.16Å; Y419-V475 PolarHBondContact N-O 3Å; Y419-V475 PolarHBondContact O-N 3.29Å; P421-V475 HydrophobicContact CG-CG2 3.7Å; C452-V475 PolarHBondContact SG-O 3.5Å; C452-V475 VanDerWaalsContact SG-O 3.36Å
476F87.4Confident79.5Confident8 Ų846 Ų464%0.03525%0.251CS..EExtended strand (participates in β ladder)trans-108.8117.2175.6-170.8-110.7000110.2C418 I433 Q446 A447 C452 F469C418-F476 HydrophobicContact CB-CD2 4.31Å; I433-F476 HydrophobicContact CG2-CD2 4.47Å; I433-F476 HydrophobicContact CG2-CE2 3.76Å; Q446-F476 WeakPolarHBondContact O-CE1 3.36Å; A447-F476 HydrophobicContact CB-CD2 4.04Å; A447-F476 HydrophobicContact CB-CE2 3.82Å; A447-F476 HydrophobicContact CB-CZ 4.4Å; C452-F476 HydrophobicContact CB-CB 3.98Å; C452-F476 HydrophobicContact CB-CD2 3.93Å; C452-F476 HydrophobicContact CB-CG 4.3Å; F469-F476 HydrophobicContact CZ-CB 4.4Å
477D86.3Confident81.4Confident3 Ų347.6 Ų47.62%0.01625%0.249CC..EExtended strand (participates in β ladder)trans-106.8131.6174-76.3-13.3000109.4G416 F417 Y419 Y480 S482G416-D477 WeakPolarHBondContact CA-O 3.43Å; F417-D477 PolarHBondContact N-O 3.27Å; F417-D477 PolarHBondContact O-N 3.13Å; Y419-D477 HydrophobicContact CE1-CB 4.18Å; Y419-D477 VanDerWaalsContact CE1-OD2 3.29Å; Y419-D477 WeakPolarHBondContact CE1-OD2 3.49Å; Y419-D477 PolarHBondContact OH-OD2 3.15Å; D477-Y480 HydrophobicContact CB-CD2 4.34Å; D477-Y480 HydrophobicContact CB-CE1 4.4Å; D477-Y480 HydrophobicContact CB-CE2 3.76Å; D477-Y480 VanDerWaalsContact CG-CZ 3.49Å; D477-Y480 VanDerWaalsContact OD1-CE2 3.26Å; D477-Y480 WeakPolarHBondContact OD1-CE2 3.04Å; D477-Y480 PolarHBondContact OD1-OH 3.23Å; D477-Y480 WeakPolarHBondContact OD2-CE2 3.49Å; D477-S482 PolarHBondContact OD2-OG 3.37Å
478Y84.3Confident82.8Confident3 Ų346.4 Ų46.41%0.01224%0.243CC..  trans-130.1120.6-176.4174.2-113.8000111.5F44 T413 C415 T435 R442 T444 Y480F44-Y478 HydrophobicContact CD1-CD1 4.18Å; F44-Y478 AromaticContact CD1-CE1 3.33Å; F44-Y478 HydrophobicContact CD1-CE1 3.33Å; F44-Y478 AromaticContact CE1-CD1 3.64Å; F44-Y478 HydrophobicContact CE1-CD1 3.64Å; F44-Y478 AromaticContact CE1-CE1 3.08Å; F44-Y478 HydrophobicContact CE1-CE1 3.08Å; F44-Y478 AromaticContact CE1-CZ 3.88Å; F44-Y478 HydrophobicContact CG-CE1 4.44Å; F44-Y478 HydrophobicContact CZ-CD1 4.21Å; F44-Y478 HydrophobicContact CZ-CE1 4.07Å; T413-Y478 PolarHBondContact O-OH 3.29Å; C415-Y478 WeakPolarHBondContact O-CD2 3.38Å; C415-Y478 WeakPolarHBondContact O-CE2 3.26Å; T435-Y478 HydrophobicContact CG2-CE2 4.13Å; R442-Y478 WeakPolarHBondContact CD-OH 3.48Å; T444-Y478 HydrophobicContact CG2-CD1 3.92Å; T444-Y478 HydrophobicContact CG2-CE1 4.21Å; Y478-Y480 VanDerWaalsContact C-N 3.26Å; Y478-Y480 WeakPolarHBondContact O-CD1 3.36Å; Y478-Y480 PolarHBondContact O-N 3.33Å
479G80.6Confident83.7Confident1 Ų140.8 Ų40.81%0.0121%0.213CC..SBendtrans72.611.1179.900000115.6
480Y84.2Confident84Confident14 Ų1439.5 Ų39.56%0.05521%0.209CC..  trans-150159.8172.666-87.1000110K290 K295 D477 Y478 S482K290-Y480 VanDerWaalsContact CE-CD1 3.44Å; K290-Y480 WeakPolarHBondContact O-CB 3.46Å; K295-Y480 HydrophobicContact CB-CD2 4.36Å; K295-Y480 HydrophobicContact CB-CE2 3.73Å; K295-Y480 HydrophobicContact CD-CE2 4.3Å; K295-Y480 VanDerWaalsContact CD-OH 3.27Å; K295-Y480 WeakPolarHBondContact CD-OH 3.3Å; K295-Y480 VanDerWaalsContact CE-OH 3.28Å; K295-Y480 WeakPolarHBondContact CE-OH 3.33Å; K295-Y480 HydrophobicContact CG-CE1 4.27Å; K295-Y480 HydrophobicContact CG-CE2 4Å; K295-Y480 VanDerWaalsContact CG-OH 3.3Å; K295-Y480 WeakPolarHBondContact CG-OH 3.32Å; D477-Y480 HydrophobicContact CB-CD2 4.34Å; D477-Y480 HydrophobicContact CB-CE1 4.4Å; D477-Y480 HydrophobicContact CB-CE2 3.76Å; D477-Y480 VanDerWaalsContact CG-CZ 3.49Å; D477-Y480 VanDerWaalsContact OD1-CE2 3.26Å; D477-Y480 WeakPolarHBondContact OD1-CE2 3.04Å; D477-Y480 PolarHBondContact OD1-OH 3.23Å; D477-Y480 WeakPolarHBondContact OD2-CE2 3.49Å; Y478-Y480 VanDerWaalsContact C-N 3.26Å; Y478-Y480 WeakPolarHBondContact O-CD1 3.36Å; Y478-Y480 PolarHBondContact O-N 3.33Å; Y480-S482 WeakPolarHBondContact CE2-OG 3.44Å
481C85.4Confident84.4Confident1 Ų141 Ų411%0.00722%0.218CC..  trans-128.5112.3172.1-168.40000111G293 C406 T483G293-C481 WeakPolarHBondContact CA-O 3.21Å; C406-C481 HydrophobicContact CB-CB 4.17Å; C406-C481 WeakPolarHBondContact CB-SG 3.06Å; C406-C481 WeakPolarHBondContact SG-CA 3.44Å; C406-C481 WeakPolarHBondContact SG-CB 3.39Å; C406-C481 CovalentContact SG-SG 2.04Å; C406-C481 PolarHBondContact SG-SG 3.37Å; C481-T483 PolarHBondContact O-N 3Å
482S82.2Confident84.6Confident47 Ų4738 Ų3833%0.32920%0.203SC..  trans-69.2117.4-176.7-57.70000111D477 Y480D477-S482 PolarHBondContact OD2-OG 3.37Å; Y480-S482 WeakPolarHBondContact CE2-OG 3.44Å
483T84.4Confident84.9Confident16 Ų1634 Ų3410%0.09817%0.17CC..  trans-136.3157.7176.768.30000110.7I364 C481 Y485 S486I364-T483 HydrophobicContact CG2-CG2 4Å; C481-T483 PolarHBondContact O-N 3Å; T483-Y485 PolarHBondContact O-N 3.02Å; T483-Y485 PolarHBondContact OG1-N 3Å; T483-S486 PolarHBondContact N-OG 2.87Å; T483-S486 WeakPolarHBondContact O-CB 3.46Å; T483-S486 PolarHBondContact O-N 3.29Å; T483-S486 PolarHBondContact O-OG 3.2Å; T483-S486 PolarHBondContact OG1-OG 3.4Å
484P82.1Confident84.9Confident96 Ų9628.5 Ų28.562%0.62315%0.149SC*.THydrogen-bonded Turntrans-63.8-11.1174.325-34.1000113.6W487P484-W487 VanDerWaalsContact O-CD1 3.28Å; P484-W487 PolarHBondContact O-NE1 2.82Å
485Y86Confident84.8Confident80 Ų8031.1 Ų31.131%0.31416%0.162SC..THydrogen-bonded Turntrans-99.12.2-178.8-58.4-71000113.8L363 N367 T483 W487 L488L363-Y485 HydrophobicContact CB-CG 4.43Å; N367-Y485 HydrophobicContact CB-CD2 4.24Å; N367-Y485 HydrophobicContact CB-CE2 4.01Å; N367-Y485 VanDerWaalsContact ND2-CE2 3.33Å; N367-Y485 WeakPolarHBondContact ND2-CE2 3.11Å; T483-Y485 PolarHBondContact O-N 3.02Å; T483-Y485 PolarHBondContact OG1-N 3Å; Y485-W487 PolarHBondContact O-N 3.03Å; Y485-L488 HydrophobicContact CD1-CD1 3.76Å; Y485-L488 HydrophobicContact CG-CD1 4.32Å; Y485-L488 WeakPolarHBondContact O-CB 3.41Å; Y485-L488 PolarHBondContact O-N 2.79Å
486S84Confident84.4Confident12 Ų1229.5 Ų29.58%0.08415%0.152CC..THydrogen-bonded Turntrans-59.1-17.8-173.7-65.40000115.6S292 G293 T483S292-S486 WeakPolarHBondContact CB-O 2.98Å; S292-S486 WeakPolarHBondContact O-CA 3.47Å; S292-S486 WeakPolarHBondContact O-CB 3.46Å; S292-S486 PolarHBondContact O-OG 3.12Å; S292-S486 PolarHBondContact OG-O 3.46Å; G293-S486 WeakPolarHBondContact CA-OG 3.49Å; T483-S486 PolarHBondContact N-OG 2.87Å; T483-S486 WeakPolarHBondContact O-CB 3.46Å; T483-S486 PolarHBondContact O-N 3.29Å; T483-S486 PolarHBondContact O-OG 3.2Å; T483-S486 PolarHBondContact OG1-OG 3.4Å
487W85.9Confident84Confident145 Ų14529.1 Ų29.155%0.54915%0.15SC..THydrogen-bonded Turntrans-86.7-17.6176.557.5-87.4000114P484 Y485 A490 I491P484-W487 VanDerWaalsContact O-CD1 3.28Å; P484-W487 PolarHBondContact O-NE1 2.82Å; Y485-W487 PolarHBondContact O-N 3.03Å; W487-A490 WeakPolarHBondContact O-CB 3.46Å; W487-A490 PolarHBondContact O-N 3.39Å; W487-I491 HydrophobicContact CE3-CD1 3.41Å; W487-I491 VanDerWaalsContact CE3-CD1 3.41Å; W487-I491 HydrophobicContact CE3-CG1 4.24Å; W487-I491 HydrophobicContact CZ3-CD1 3.34Å; W487-I491 PolarHBondContact O-N 3Å
488L87.3Confident83.5Confident21 Ų2132.1 Ų32.111%0.1117%0.166CC..Hα-helixtrans-62.9-44.3-178-70.2177.8000112.8F356 S360 L363 Y485 A490 I491 G492F356-L488 HydrophobicContact CE1-CB 4.39Å; F356-L488 HydrophobicContact CE1-CD2 4.35Å; F356-L488 WeakPolarHBondContact CE1-O 3.06Å; F356-L488 HydrophobicContact CZ-CD2 4.05Å; S360-L488 VanDerWaalsContact OG-CB 3.29Å; S360-L488 WeakPolarHBondContact OG-CB 3.43Å; L363-L488 HydrophobicContact CD1-CD1 4.01Å; Y485-L488 HydrophobicContact CD1-CD1 3.76Å; Y485-L488 HydrophobicContact CG-CD1 4.32Å; Y485-L488 WeakPolarHBondContact O-CB 3.41Å; Y485-L488 PolarHBondContact O-N 2.79Å; L488-A490 PolarHBondContact O-N 2.04Å; L488-I491 PolarHBondContact O-N 3.46Å; L488-I491 VanDerWaalsContact O-N 3.11Å; L488-G492 PolarHBondContact O-N 2.97Å
489P84.8Confident82.8Confident0 Ų033.1 Ų33.10%017%0.173CC..Hα-helixtrans-58.9-31.7175.8-2839.3000112.9F361 I364 G492 L493F361-P489 HydrophobicContact CD2-CG 4.45Å; F361-P489 HydrophobicContact CE2-CB 4.11Å; F361-P489 HydrophobicContact CE2-CG 4.21Å; F361-P489 HydrophobicContact CZ-CB 4.46Å; F361-P489 HydrophobicContact CZ-CG 4.44Å; I364-P489 HydrophobicContact CD1-CG 3.74Å; P489-G492 PolarHBondContact O-N 2.79Å; P489-L493 WeakPolarHBondContact O-CB 3.47Å; P489-L493 VanDerWaalsContact O-CG 3.25Å; P489-L493 WeakPolarHBondContact O-CG 3.17Å; P489-L493 PolarHBondContact O-N 3.32Å
490A85.8Confident82.2Confident9 Ų933.5 Ų33.57%0.07418%0.175CC..Hα-helixtrans-64.6-42.1177.400000112.2M289 W487 L488 L493 V494M289-A490 HydrophobicContact CE-CB 3.77Å; M289-A490 HydrophobicContact SD-CB 3.62Å; W487-A490 WeakPolarHBondContact O-CB 3.46Å; W487-A490 PolarHBondContact O-N 3.39Å; L488-A490 PolarHBondContact O-N 2.04Å; A490-L493 PolarHBondContact O-N 3.2Å; A490-V494 WeakPolarHBondContact O-CG2 3.38Å; A490-V494 PolarHBondContact O-N 3.36Å; A490-V494 VanDerWaalsContact O-N 3.1Å
491I86.8Confident81.3Confident71 Ų7132.9 Ų32.936%0.36417%0.172SC..Hα-helixtrans-65.4-44.5173.7-64.5-177.9000110.6F356 W487 L488 L493 V494 I495F356-I491 HydrophobicContact CE1-CB 4.22Å; F356-I491 HydrophobicContact CE1-CG2 4.15Å; F356-I491 HydrophobicContact CZ-CG2 4.42Å; W487-I491 HydrophobicContact CE3-CD1 3.41Å; W487-I491 VanDerWaalsContact CE3-CD1 3.41Å; W487-I491 HydrophobicContact CE3-CG1 4.24Å; W487-I491 HydrophobicContact CZ3-CD1 3.34Å; W487-I491 PolarHBondContact O-N 3Å; L488-I491 PolarHBondContact O-N 3.46Å; L488-I491 VanDerWaalsContact O-N 3.11Å; I491-L493 VanDerWaalsContact C-N 3.28Å; I491-L493 PolarHBondContact O-N 3.33Å; I491-V494 PolarHBondContact O-N 2.02Å; I491-V494 VanDerWaalsContact O-N 3.15Å; I491-I495 HydrophobicContact CG2-CD1 3.71Å; I491-I495 HydrophobicContact CG2-CG1 4.29Å; I491-I495 WeakPolarHBondContact O-CG1 3.38Å; I491-I495 PolarHBondContact O-N 2.92Å
492G84.3Confident80.1Confident0 Ų037 Ų370%019%0.19CC..Hα-helixtrans-56-4317600000112.5F356 L488 P489 I495 F496F356-G492 VanDerWaalsContact CD1-CA 3.44Å; L488-G492 PolarHBondContact O-N 2.97Å; P489-G492 PolarHBondContact O-N 2.79Å; G492-I495 PolarHBondContact O-N 3.06Å; G492-F496 WeakPolarHBondContact O-CB 3.15Å; G492-F496 PolarHBondContact O-N 3.39Å
493L84.7Confident78.7Confident1 Ų135 Ų351%0.00518%0.177CC..Hα-helixtrans-62.6-44.1175.7-75.8171.1000112.2V281 I288 M289 I357 P489 A490 I491 F496 V497V281-L493 HydrophobicContact CG1-CD2 3.16Å; I288-L493 HydrophobicContact CB-CD1 4.4Å; I288-L493 HydrophobicContact CG2-CD1 3.84Å; M289-L493 HydrophobicContact CE-CB 4.26Å; M289-L493 HydrophobicContact CE-CD1 3.26Å; M289-L493 HydrophobicContact CE-CG 4.37Å; M289-L493 HydrophobicContact SD-CD1 3.76Å; I357-L493 HydrophobicContact CD1-CD2 3.72Å; I357-L493 HydrophobicContact CD1-CG 4Å; P489-L493 WeakPolarHBondContact O-CB 3.47Å; P489-L493 VanDerWaalsContact O-CG 3.25Å; P489-L493 WeakPolarHBondContact O-CG 3.17Å; P489-L493 PolarHBondContact O-N 3.32Å; A490-L493 PolarHBondContact O-N 3.2Å; I491-L493 VanDerWaalsContact C-N 3.28Å; I491-L493 PolarHBondContact O-N 3.33Å; L493-F496 PolarHBondContact O-N 2.63Å; L493-V497 WeakPolarHBondContact O-CB 3.39Å; L493-V497 VanDerWaalsContact O-CG2 3.25Å; L493-V497 WeakPolarHBondContact O-CG2 3.44Å; L493-V497 PolarHBondContact O-N 3.22Å
494V84.8Confident77.1Confident32 Ų3235 Ų3519%0.19418%0.176CC..Hα-helixtrans-62.8-46.5175.9172.70000111.1L306 T310 A490 I491 F496 V497 L498L306-V494 HydrophobicContact CD2-CG2 3.76Å; L306-V494 HydrophobicContact CG-CG2 3.87Å; T310-V494 HydrophobicContact CG2-CG1 4.23Å; A490-V494 WeakPolarHBondContact O-CG2 3.38Å; A490-V494 PolarHBondContact O-N 3.36Å; A490-V494 VanDerWaalsContact O-N 3.1Å; I491-V494 PolarHBondContact O-N 2.02Å; I491-V494 VanDerWaalsContact O-N 3.15Å; V494-F496 PolarHBondContact O-N 2.91Å; V494-V497 PolarHBondContact O-N 2.8Å; V494-L498 HydrophobicContact CG1-CD1 4.05Å; V494-L498 HydrophobicContact CG1-CG 4.34Å; V494-L498 WeakPolarHBondContact O-CB 3.43Å; V494-L498 WeakPolarHBondContact O-CG 3.5Å; V494-L498 PolarHBondContact O-N 2.6Å
495I82.2Confident75.6Confident60 Ų6030.9 Ų30.931%0.30815%0.148SC..Hα-helixtrans-61.6-45.6178.5-67.6170.7000111I491 G492 S499I491-I495 HydrophobicContact CG2-CD1 3.71Å; I491-I495 HydrophobicContact CG2-CG1 4.29Å; I491-I495 WeakPolarHBondContact O-CG1 3.38Å; I491-I495 PolarHBondContact O-N 2.92Å; G492-I495 PolarHBondContact O-N 3.06Å; I495-S499 VanDerWaalsContact O-CB 3.32Å; I495-S499 WeakPolarHBondContact O-CB 3.1Å; I495-S499 PolarHBondContact O-N 2.66Å; I495-S499 PolarHBondContact O-OG 3.16Å
496F80Confident73.8Confident0 Ų029.6 Ų29.60%014%0.144CC..Hα-helixtrans-59.4-49.6178.1173.4-107.9000111.3V278 V281 S350 L354 I357 G492 L493 V494 S499 F500V278-F496 HydrophobicContact CB-CE1 4.29Å; V278-F496 HydrophobicContact CB-CZ 4.37Å; V278-F496 HydrophobicContact CG2-CE1 4.18Å; V281-F496 HydrophobicContact CB-CD1 4.45Å; V281-F496 HydrophobicContact CB-CE1 3.93Å; V281-F496 HydrophobicContact CG1-CD1 4.02Å; V281-F496 HydrophobicContact CG1-CE1 4Å; V281-F496 HydrophobicContact CG2-CD1 4.4Å; V281-F496 HydrophobicContact CG2-CE1 3.79Å; V281-F496 HydrophobicContact CG2-CZ 4.34Å; S350-F496 WeakPolarHBondContact O-CD2 3.32Å; L354-F496 HydrophobicContact CD1-CE2 3.94Å; L354-F496 HydrophobicContact CD2-CD2 4.05Å; L354-F496 HydrophobicContact CD2-CE2 3.81Å; L354-F496 HydrophobicContact CD2-CZ 4.17Å; L354-F496 HydrophobicContact CG-CD2 3.79Å; L354-F496 HydrophobicContact CG-CE2 3.6Å; L354-F496 HydrophobicContact CG-CZ 4.4Å; I357-F496 HydrophobicContact CD1-CB 4.41Å; G492-F496 WeakPolarHBondContact O-CB 3.15Å; G492-F496 PolarHBondContact O-N 3.39Å; L493-F496 PolarHBondContact O-N 2.63Å; V494-F496 PolarHBondContact O-N 2.91Å; F496-S499 PolarHBondContact O-N 3.32Å; F496-F500 WeakPolarHBondContact O-CB 3.49Å; F496-F500 PolarHBondContact O-N 2.59Å
497V77.5Confident72.1Confident0 Ų031 Ų310%015%0.148CC..Hα-helixtrans-70.4-39.8-177.5175.10000112M282 S307 T310 N311 L493 V494 F500 A501M282-V497 HydrophobicContact SD-CG2 4.03Å; S307-V497 WeakPolarHBondContact O-CG1 3.46Å; T310-V497 HydrophobicContact CG2-CB 4.09Å; T310-V497 HydrophobicContact CG2-CG1 3.91Å; N311-V497 HydrophobicContact CB-CG1 3.54Å; L493-V497 WeakPolarHBondContact O-CB 3.39Å; L493-V497 VanDerWaalsContact O-CG2 3.25Å; L493-V497 WeakPolarHBondContact O-CG2 3.44Å; L493-V497 PolarHBondContact O-N 3.22Å; V494-V497 PolarHBondContact O-N 2.8Å; V497-F500 PolarHBondContact O-N 2.85Å; V497-A501 VanDerWaalsContact O-CB 3.26Å; V497-A501 WeakPolarHBondContact O-CB 3.37Å; V497-A501 PolarHBondContact O-N 3.23Å
498L75.9Confident70.2Confident65 Ų6526.4 Ų26.434%0.3413%0.13SC..Hα-helixtrans-56-54.6172.4-81.5176.8000110.2T310 V494 F500 A501 F502T310-L498 HydrophobicContact CG2-CB 4.04Å; T310-L498 HydrophobicContact CG2-CD1 4.37Å; T310-L498 HydrophobicContact CG2-CD2 3.32Å; T310-L498 HydrophobicContact CG2-CG 3.24Å; V494-L498 HydrophobicContact CG1-CD1 4.05Å; V494-L498 HydrophobicContact CG1-CG 4.34Å; V494-L498 WeakPolarHBondContact O-CB 3.43Å; V494-L498 WeakPolarHBondContact O-CG 3.5Å; V494-L498 PolarHBondContact O-N 2.6Å; L498-F500 PolarHBondContact O-N 3.36Å; L498-A501 PolarHBondContact O-N 3.1Å; L498-F502 HydrophobicContact CD2-CE2 4.4Å; L498-F502 WeakPolarHBondContact O-CD2 3.14Å; L498-F502 PolarHBondContact O-N 2.93Å
499S70.3Confident68.1Low25 Ų2526.7 Ų26.718%0.17513%0.13CC..Hα-helixtrans-56.3-41.5-178.3-59.60000111.6I495 F496 G503I495-S499 VanDerWaalsContact O-CB 3.32Å; I495-S499 WeakPolarHBondContact O-CB 3.1Å; I495-S499 PolarHBondContact O-N 2.66Å; I495-S499 PolarHBondContact O-OG 3.16Å; F496-S499 PolarHBondContact O-N 3.32Å; S499-G503 PolarHBondContact O-N 3.25Å
500F66.9Low66Low9 Ų929.8 Ų29.84%0.03915%0.145CC..Hα-helixtrans-72.5-42.3178.8-179.2-91.7000113.5Q273 S276 V278 F496 V497 L498 F502 G503 K504Q273-F500 HydrophobicContact CG-CE2 4.27Å; Q273-F500 HydrophobicContact CG-CZ 3.75Å; S276-F500 WeakPolarHBondContact OG-CE2 3.21Å; V278-F500 HydrophobicContact CB-CD1 4.02Å; V278-F500 HydrophobicContact CB-CD2 4.25Å; V278-F500 HydrophobicContact CB-CE1 3.9Å; V278-F500 HydrophobicContact CB-CE2 4.17Å; V278-F500 HydrophobicContact CB-CG 4.17Å; V278-F500 HydrophobicContact CB-CZ 3.99Å; V278-F500 HydrophobicContact CG1-CD1 4.19Å; V278-F500 HydrophobicContact CG1-CE1 3.54Å; V278-F500 HydrophobicContact CG1-CE2 4Å; V278-F500 HydrophobicContact CG1-CZ 3.45Å; V278-F500 VanDerWaalsContact CG1-CZ 3.45Å; V278-F500 HydrophobicContact CG2-CD1 3.55Å; V278-F500 HydrophobicContact CG2-CE1 3.75Å; V278-F500 HydrophobicContact CG2-CG 3.95Å; V278-F500 HydrophobicContact CG2-CZ 4.36Å; F496-F500 WeakPolarHBondContact O-CB 3.49Å; F496-F500 PolarHBondContact O-N 2.59Å; V497-F500 PolarHBondContact O-N 2.85Å; L498-F500 PolarHBondContact O-N 3.36Å; F500-F502 VanDerWaalsContact C-N 3.32Å; F500-F502 PolarHBondContact O-N 3.11Å; F500-G503 CarbonylContact O-C 3.58Å; F500-G503 WeakPolarHBondContact O-CA 3.28Å; F500-G503 PolarHBondContact O-N 3.35Å; F500-K504 HydrophobicContact CD1-CD 4.29Å; F500-K504 HydrophobicContact CD1-CG 4.49Å; F500-K504 HydrophobicContact CE1-CB 4.07Å; F500-K504 HydrophobicContact CE1-CD 3.42Å; F500-K504 VanDerWaalsContact CE1-CD 3.42Å; F500-K504 VanDerWaalsContact CE1-CE 3.43Å; F500-K504 HydrophobicContact CE1-CG 3.61Å; F500-K504 HydrophobicContact CZ-CB 4.42Å; F500-K504 HydrophobicContact CZ-CD 4.05Å; F500-K504 HydrophobicContact CZ-CG 3.82Å; F500-K504 PolarHBondContact O-N 2.86Å
501A65.8Low63.6Low0 Ų029.6 Ų29.60%014%0.144CC..Hα-helixtrans-60.8-40.7-176.300000111.8V497 L498V497-A501 VanDerWaalsContact O-CB 3.26Å; V497-A501 WeakPolarHBondContact O-CB 3.37Å; V497-A501 PolarHBondContact O-N 3.23Å; L498-A501 PolarHBondContact O-N 3.1Å
502F61.1Low61.3Low87 Ų8728.7 Ų28.738%0.38214%0.142SC..Hα-helixtrans-63.8-40.2170.8-72.4-72.4000112.2I317 L346 L498 F500I317-F502 HydrophobicContact CG2-CE1 3.99Å; L346-F502 HydrophobicContact CD2-CB 4.42Å; L498-F502 HydrophobicContact CD2-CE2 4.4Å; L498-F502 WeakPolarHBondContact O-CD2 3.14Å; L498-F502 PolarHBondContact O-N 2.93Å; F500-F502 VanDerWaalsContact C-N 3.32Å; F500-F502 PolarHBondContact O-N 3.11Å
503G52.2Low59.1Low5 Ų529.8 Ų29.85%0.05215%0.147CC..Hα-helixtrans-69.2-32.817900000115S499 F500 I505 F506 R507S499-G503 PolarHBondContact O-N 3.25Å; F500-G503 CarbonylContact O-C 3.58Å; F500-G503 WeakPolarHBondContact O-CA 3.28Å; F500-G503 PolarHBondContact O-N 3.35Å; G503-I505 PolarHBondContact O-N 3.28Å; G503-I505 VanDerWaalsContact O-N 3.16Å; G503-F506 PolarHBondContact O-N 2.86Å; G503-R507 PolarHBondContact O-N 2.75Å
504K51.7Low56.8Low17 Ų1731.3 Ų31.37%0.07415%0.154CC..Hα-helixtrans-57.7-31.5-177.8-143.7179.6-162.7165.70112.2F500 R508F500-K504 HydrophobicContact CD1-CD 4.29Å; F500-K504 HydrophobicContact CD1-CG 4.49Å; F500-K504 HydrophobicContact CE1-CB 4.07Å; F500-K504 HydrophobicContact CE1-CD 3.42Å; F500-K504 VanDerWaalsContact CE1-CD 3.42Å; F500-K504 VanDerWaalsContact CE1-CE 3.43Å; F500-K504 HydrophobicContact CE1-CG 3.61Å; F500-K504 HydrophobicContact CZ-CB 4.42Å; F500-K504 HydrophobicContact CZ-CD 4.05Å; F500-K504 HydrophobicContact CZ-CG 3.82Å; F500-K504 PolarHBondContact O-N 2.86Å; K504-R508 WeakPolarHBondContact O-CG 3.31Å; K504-R508 PolarHBondContact O-N 3.49Å
505I50.7Low54.4Low10 Ų1033.3 Ų33.35%0.05116%0.158CC..Hα-helixtrans-88-38.4-173.7-69.8163.4000111.3T315 G318 L322 G503 R507 R508 R509T315-I505 HydrophobicContact CG2-CD1 4.29Å; T315-I505 WeakPolarHBondContact O-CD1 3.26Å; G318-I505 VanDerWaalsContact CA-CD1 3.49Å; L322-I505 HydrophobicContact CB-CG2 3.97Å; L322-I505 HydrophobicContact CD1-CG2 4.39Å; L322-I505 HydrophobicContact CD2-CG2 3.64Å; L322-I505 HydrophobicContact CG-CG2 4.19Å; G503-I505 PolarHBondContact O-N 3.28Å; G503-I505 VanDerWaalsContact O-N 3.16Å; I505-R507 VanDerWaalsContact C-N 3.32Å; I505-R507 PolarHBondContact O-N 2.8Å; I505-R508 PolarHBondContact O-N 3.09Å; I505-R509 PolarHBondContact O-N 3.1Å
506F47.4Very low52.2Low52 Ų5236 Ų3623%0.22817%0.168CC..Hα-helixtrans-61.9-39175.3-147.6-98.6000111.8A330 W333 S334 G503A330-F506 VanDerWaalsContact O-CZ 3.24Å; A330-F506 WeakPolarHBondContact O-CZ 3.31Å; W333-F506 HydrophobicContact CB-CE2 4.16Å; W333-F506 HydrophobicContact CB-CZ 3.73Å; S334-F506 WeakPolarHBondContact OG-CE1 3.32Å; S334-F506 VanDerWaalsContact OG-CZ 3.29Å; S334-F506 WeakPolarHBondContact OG-CZ 3.4Å; G503-F506 PolarHBondContact O-N 2.86Å
507R48.2Very low50.2Low41 Ų4136.4 Ų36.416%0.15517%0.17CC..Hα-helixtrans-71.6-31.3175.7-65.3179.7-161.3-172.52.4113.6N347 G503 I505 M510N347-R507 PolarHBondContact OD1-NH2 2.68Å; G503-R507 PolarHBondContact O-N 2.75Å; I505-R507 VanDerWaalsContact C-N 3.32Å; I505-R507 PolarHBondContact O-N 2.8Å; R507-M510 PolarHBondContact O-N 2.68Å
508R46.2Very low48.1Very low49 Ų4936.9 Ų36.919%0.18517%0.173CC..Hα-helixtrans-71.2-33-175.6-90.3179.8172.1163.2-4.3113.5P146 K504 I505 M510 G511 T512P146-R508 VanDerWaalsContact CG-NH1 3.27Å; K504-R508 WeakPolarHBondContact O-CG 3.31Å; K504-R508 PolarHBondContact O-N 3.49Å; I505-R508 PolarHBondContact O-N 3.09Å; R508-M510 VanDerWaalsContact C-N 3.29Å; R508-M510 PolarHBondContact O-N 2.8Å; R508-G511 PolarHBondContact O-N 2.86Å; R508-T512 WeakPolarHBondContact O-CG2 3.48Å; R508-T512 PolarHBondContact O-N 2.02Å; R508-T512 PolarHBondContact O-OG1 3.25Å
509R43.2Very low46Very low28 Ų2835 Ų3511%0.10617%0.165CC..Hα-helixtrans-68.8-27178.2-154175.5-149.814816.4113.5L322 E323 I505 G511 T512L322-R509 PolarHBondContact O-NH1 3.34Å; L322-R509 VanDerWaalsContact O-NH1 3.13Å; E323-R509 IonicContact OE1-NH2 3.33Å; E323-R509 PolarHBondContact OE1-NH2 3.03Å; I505-R509 PolarHBondContact O-N 3.1Å; R509-G511 PolarHBondContact O-N 3.16Å; R509-T512 WeakPolarHBondContact CA-OG1 2.99Å; R509-T512 PolarHBondContact O-N 2.98Å; R509-T512 PolarHBondContact O-OG1 2.75Å
510M40.1Very low44.3Very low65 Ų6535.1 Ų35.132%0.3217%0.165SC..Hα-helixtrans-63.9-24.1171.8-64.8-156.6-74.100112.3L269 R507 R508 M549 L553L269-M510 HydrophobicContact CD1-CB 4.22Å; L269-M510 HydrophobicContact CD2-CE 4.26Å; R507-M510 PolarHBondContact O-N 2.68Å; R508-M510 VanDerWaalsContact C-N 3.29Å; R508-M510 PolarHBondContact O-N 2.8Å; M510-M549 HydrophobicContact CE-SD 4.1Å; M510-L553 HydrophobicContact CB-CD2 3.98Å; M510-L553 HydrophobicContact CG-CD2 4.16Å; M510-L553 HydrophobicContact SD-CD2 3.48Å; M510-L553 WeakPolarHBondContact SD-CD2 3.48Å
511G36.4Very low42.8Very low5 Ų535 Ų355%0.05217%0.165CC..Hα-helixtrans-95.8-28.1176.400000115.8R508 R509 Q513R508-G511 PolarHBondContact O-N 2.86Å; R509-G511 PolarHBondContact O-N 3.16Å; G511-Q513 PolarHBondContact O-N 3.32Å
512T37Very low41.4Very low52 Ų5236 Ų3632%0.31917%0.169SC..THydrogen-bonded Turntrans-75.3-0.4-176.252.80000114.8R508 R509 H514R508-T512 WeakPolarHBondContact O-CG2 3.48Å; R508-T512 PolarHBondContact O-N 2.02Å; R508-T512 PolarHBondContact O-OG1 3.25Å; R509-T512 WeakPolarHBondContact CA-OG1 2.99Å; R509-T512 PolarHBondContact O-N 2.98Å; R509-T512 PolarHBondContact O-OG1 2.75Å; T512-H514 PolarHBondContact O-N 3.25Å
513Q38.3Very low40.1Very low23 Ų2334.1 Ų34.111%0.10716%0.161CC..THydrogen-bonded Turntrans-70-11.1179-148.847.615.300111.8G511 T556 L561 I564G511-Q513 PolarHBondContact O-N 3.32Å; Q513-T556 HydrophobicContact CG-CG2 3.79Å; Q513-L561 WeakPolarHBondContact O-CD1 3.12Å; Q513-I564 HydrophobicContact CB-CD1 4.24Å; Q513-I564 HydrophobicContact CG-CD1 3.46Å; Q513-I564 VanDerWaalsContact CG-CD1 3.46Å; Q513-I564 HydrophobicContact CG-CG1 4.07Å; Q513-I564 HydrophobicContact CG-CG2 4.18Å; Q513-I564 WeakPolarHBondContact O-CD1 3.09Å
514H37.3Very low39.2Very low32 Ų3235.3 Ų35.315%0.14817%0.166CC..  trans-118.7115.4-176.2-69.6-64.9000113.9T512 K516 C517 N518 I564 L568T512-H514 PolarHBondContact O-N 3.25Å; H514-K516 PolarHBondContact O-N 3.08Å; H514-C517 HydrophobicContact CB-CB 3.21Å; H514-C517 CarbonylContact O-C 3.6Å; H514-C517 PolarHBondContact O-N 3.47Å; H514-C517 VanDerWaalsContact O-N 3.17Å; H514-N518 WeakPolarHBondContact O-CB 3.5Å; H514-N518 PolarHBondContact O-N 2.96Å; H514-I564 WeakPolarHBondContact CE1-CG2 3.12Å; H514-L568 WeakPolarHBondContact CE1-CD1 3Å
515R34.4Very low38.5Very low74 Ų7435.1 Ų35.128%0.27917%0.167SC..Hα-helixtrans-57.3-44.2173-169.7176.9176.6-168.6-2.8112.5E234E234-R515 IonicContact OE1-NH1 3.28Å; E234-R515 IonicContact OE2-NH1 3.3Å; E234-R515 PolarHBondContact OE2-NH1 2.86Å
516K35.5Very low37.6Very low118 Ų11836.3 Ų36.351%0.51317%0.172SC..Hα-helixtrans-71.8-34.2175-72.8172.7-178151.90112.5H514 E565H514-K516 PolarHBondContact O-N 3.08Å; K516-E565 WeakPolarHBondContact CD-OE1 3.45Å; K516-E565 WeakPolarHBondContact CE-OE1 3.2Å; K516-E565 IonicContact NZ-OE1 3.47Å; K516-E565 PolarHBondContact NZ-OE1 3.15Å; K516-E565 IonicContact NZ-OE2 2.67Å; K516-E565 PolarHBondContact NZ-OE2 2.98Å
517C37.4Very low36.6Very low7 Ų736.6 Ų36.65%0.04718%0.176CC..Hα-helixtrans-82.1-25.6-178.6-145.90000112.6A262 H514 C519 C520 F521A262-C517 HydrophobicContact CB-CB 3.99Å; A262-C517 PolarHBondContact O-SG 3.24Å; H514-C517 HydrophobicContact CB-CB 3.21Å; H514-C517 CarbonylContact O-C 3.6Å; H514-C517 PolarHBondContact O-N 3.47Å; H514-C517 VanDerWaalsContact O-N 3.17Å; C517-C519 PolarHBondContact O-N 2.67Å; C517-C520 CarbonylContact O-C 3.55Å; C517-C520 WeakPolarHBondContact O-CA 3.32Å; C517-C520 PolarHBondContact O-N 2.98Å; C517-F521 WeakPolarHBondContact O-CA 3.32Å; C517-F521 WeakPolarHBondContact O-CB 3.48Å; C517-F521 PolarHBondContact O-N 3.02Å
518N33.2Very low35.8Very low10 Ų1036.4 Ų36.45%0.05318%0.18CC..Hα-helixtrans-60.6-36.6179-154.320.9000111.4L142 H514 F521 H522L142-N518 VanDerWaalsContact CD1-ND2 3.27Å; L142-N518 WeakPolarHBondContact CD1-ND2 3.28Å; H514-N518 WeakPolarHBondContact O-CB 3.5Å; H514-N518 PolarHBondContact O-N 2.96Å; N518-F521 PolarHBondContact O-N 3.25Å; N518-H522 PolarHBondContact O-N 3.13Å
519C33.4Very low34.8Very low26 Ų2641 Ų4118%0.17620%0.198CC..Hα-helixtrans-63.3-45.8170.4-66.60000112A127 C517 K523A127-C519 VanDerWaalsContact CB-SG 3.6Å; C517-C519 PolarHBondContact O-N 2.67Å; C519-K523 VanDerWaalsContact O-CB 3.23Å; C519-K523 WeakPolarHBondContact O-CB 3.41Å; C519-K523 VanDerWaalsContact O-CD 3.29Å; C519-K523 WeakPolarHBondContact O-CD 3.24Å; C519-K523 WeakPolarHBondContact O-CG 3Å; C519-K523 PolarHBondContact O-N 3.17Å; C519-K523 VanDerWaalsContact O-N 3.12Å
520C33.1Very low33.9Very low27 Ų2746.9 Ų46.918%0.18223%0.227CC..Hα-helixtrans-68.4-36.6174.3-69.80000112.8L263 C517 K523 L524L263-C520 HydrophobicContact CD1-CB 3.82Å; C517-C520 CarbonylContact O-C 3.55Å; C517-C520 WeakPolarHBondContact O-CA 3.32Å; C517-C520 PolarHBondContact O-N 2.98Å; C520-K523 CarbonylContact O-C 3.6Å; C520-K523 PolarHBondContact O-N 2.92Å; C520-L524 HydrophobicContact CB-CD1 4.48Å; C520-L524 WeakPolarHBondContact O-CB 3.32Å; C520-L524 VanDerWaalsContact O-CD1 3.27Å; C520-L524 WeakPolarHBondContact O-CD1 3.4Å; C520-L524 WeakPolarHBondContact O-CG 3.34Å; C520-L524 PolarHBondContact O-N 3.4Å
521F36.8Very low33.1Very low7 Ų749.9 Ų49.93%0.03125%0.254CS..Hα-helixtrans-74-34.4-171.2-169.7-86.1000111L269 Q270 C517 N518 A525L269-F521 HydrophobicContact CB-CE2 4.22Å; L269-F521 HydrophobicContact CB-CZ 4.39Å; L269-F521 HydrophobicContact CD1-CE2 4.1Å; Q270-F521 HydrophobicContact CG-CE1 4.38Å; Q270-F521 HydrophobicContact CG-CZ 4.28Å; C517-F521 WeakPolarHBondContact O-CA 3.32Å; C517-F521 WeakPolarHBondContact O-CB 3.48Å; C517-F521 PolarHBondContact O-N 3.02Å; N518-F521 PolarHBondContact O-N 3.25Å; F521-A525 WeakPolarHBondContact O-CB 3.45Å; F521-A525 PolarHBondContact O-N 3.49Å
522H36.6Very low32.7Very low20 Ų2053.8 Ų53.89%0.09329%0.286CS..Hα-helixtrans-84.3-32.5169.7-118.3104.6000113.3G122 P126 F145 N518 L524 A525 F526G122-H522 PolarHBondContact O-CD2 3.26Å; P126-H522 HydrophobicContact CB-CB 3.97Å; P126-H522 HydrophobicContact CG-CB 4.07Å; P126-H522 VanDerWaalsContact CG-CG 3.44Å; F145-H522 AromaticContact CE1-NE2 3.71Å; N518-H522 PolarHBondContact O-N 3.13Å; H522-L524 PolarHBondContact O-N 3.44Å; H522-A525 WeakPolarHBondContact O-CB 3.2Å; H522-A525 PolarHBondContact O-N 3.26Å; H522-F526 AromaticContact CD2-CE2 3.92Å
523K32.4Very low32Very low48 Ų4861.3 Ų61.321%0.20931%0.31CS..Hα-helixtrans-57.7-34165.3-76171.5-176.8-174.60111.6A68 C519 C520 L527A68-K523 WeakPolarHBondContact CB-O 3.4Å; C519-K523 VanDerWaalsContact O-CB 3.23Å; C519-K523 WeakPolarHBondContact O-CB 3.41Å; C519-K523 VanDerWaalsContact O-CD 3.29Å; C519-K523 WeakPolarHBondContact O-CD 3.24Å; C519-K523 WeakPolarHBondContact O-CG 3Å; C519-K523 PolarHBondContact O-N 3.17Å; C519-K523 VanDerWaalsContact O-N 3.12Å; C520-K523 CarbonylContact O-C 3.6Å; C520-K523 PolarHBondContact O-N 2.92Å; K523-L527 WeakPolarHBondContact O-CD1 2.97Å
524L33.7Very low31.4Very low31 Ų3166.4 Ų66.416%0.16234%0.342CS..Hα-helixtrans-87.5-21.3175.9-81.2152.9000114.7L263 C267 C520 H522 F526 L527L263-L524 HydrophobicContact CD1-CD1 3.35Å; L263-L524 HydrophobicContact CG-CD1 4.22Å; C267-L524 HydrophobicContact CB-CD2 4.45Å; C267-L524 WeakPolarHBondContact SG-CD1 3.29Å; C267-L524 WeakPolarHBondContact SG-CD2 3.26Å; C520-L524 HydrophobicContact CB-CD1 4.48Å; C520-L524 WeakPolarHBondContact O-CB 3.32Å; C520-L524 VanDerWaalsContact O-CD1 3.27Å; C520-L524 WeakPolarHBondContact O-CD1 3.4Å; C520-L524 WeakPolarHBondContact O-CG 3.34Å; C520-L524 PolarHBondContact O-N 3.4Å; H522-L524 PolarHBondContact O-N 3.44Å; L524-F526 PolarHBondContact O-N 2.9Å; L524-F526 VanDerWaalsContact O-N 3.12Å; L524-L527 HydrophobicContact CD2-CB 4.17Å; L524-L527 HydrophobicContact CD2-CD1 3.63Å; L524-L527 HydrophobicContact CG-CD1 4.06Å; L524-L527 PolarHBondContact O-N 2.92Å
525A36.4Very low30.7Very low12 Ų1269.6 Ų69.610%0.09937%0.368CS..Hα-helixtrans-59-25.2176.400000112.6F521 H522F521-A525 WeakPolarHBondContact O-CB 3.45Å; F521-A525 PolarHBondContact O-N 3.49Å; H522-A525 WeakPolarHBondContact O-CB 3.2Å; H522-A525 PolarHBondContact O-N 3.26Å
526F33.4Very low30.3Very low36 Ų3675.6 Ų75.616%0.15840%0.397CS..THydrogen-bonded Turntrans-104.72.8178.2-70.5-83.5000114I28 A64 A65 A68 I118 H522 L524 P528I28-F526 HydrophobicContact CG2-CZ 4.46Å; A64-F526 HydrophobicContact CB-CD1 4.41Å; A65-F526 VanDerWaalsContact CA-O 3.22Å; A65-F526 WeakPolarHBondContact CA-O 3.29Å; A65-F526 WeakPolarHBondContact CB-O 3Å; A65-F526 PolarHBondContact N-O 3.07Å; A68-F526 HydrophobicContact CB-CB 4.27Å; I118-F526 HydrophobicContact CG2-CD1 3.95Å; I118-F526 HydrophobicContact CG2-CE1 3.6Å; I118-F526 HydrophobicContact CG2-CZ 4.46Å; H522-F526 AromaticContact CD2-CE2 3.92Å; L524-F526 PolarHBondContact O-N 2.9Å; L524-F526 VanDerWaalsContact O-N 3.12Å; F526-P528 WeakPolarHBondContact O-CD 3.26Å
527L26.8Very low30.2Very low58 Ų5875.1 Ų75.130%0.30441%0.406SS..  trans-91.476170.1-81.4155.4000111A65 L69 K523 L524A65-L527 HydrophobicContact CB-CD2 3.9Å; A65-L527 HydrophobicContact CB-CG 4.42Å; L69-L527 HydrophobicContact CD1-CD2 3.85Å; L69-L527 HydrophobicContact CD2-CD1 3.65Å; L69-L527 HydrophobicContact CD2-CD2 4.38Å; L69-L527 HydrophobicContact CG-CD1 3.98Å; L69-L527 HydrophobicContact CG-CD2 3.97Å; L69-L527 HydrophobicContact CG-CG 4.44Å; K523-L527 WeakPolarHBondContact O-CD1 2.97Å; L524-L527 HydrophobicContact CD2-CB 4.17Å; L524-L527 HydrophobicContact CD2-CD1 3.63Å; L524-L527 HydrophobicContact CG-CD1 4.06Å; L524-L527 PolarHBondContact O-N 2.92Å
528P30.3Very low29.6Very low36 Ų3682.3 Ų82.323%0.23444%0.436CS..  trans-137.6108.1146.826.5-7000109.9Q274 F526Q274-P528 HydrophobicContact CB-CB 4.45Å; Q274-P528 HydrophobicContact CB-CG 4.28Å; Q274-P528 HydrophobicContact CG-CB 4.35Å; Q274-P528 HydrophobicContact CG-CG 3.7Å; F526-P528 WeakPolarHBondContact O-CD 3.26Å
529Y25.1Very low29.6Very low147 Ų14788.8 Ų88.858%0.57648%0.476SS*.SBendtrans173.985.4141.2-98.5-74.9000105.9L61L61-Y529 HydrophobicContact CB-CD2 3.87Å; L61-Y529 HydrophobicContact CD2-CD2 3.91Å; L61-Y529 HydrophobicContact CD2-CE2 3.87Å; L61-Y529 HydrophobicContact CG-CD2 4.48Å
530H23.7Very low29.3Very low151 Ų15198.4 Ų98.470%0.69951%0.509SS*.SBendtrans173.3-10.3134.9-145.8-91.3000114.2A532H530-A532 PolarHBondContact O-N 3.06Å
531S24.6Very low29.4Very low128 Ų128100.8 Ų100.890%0.89552%0.52SS*.THydrogen-bonded Turntrans-83.861.7170.764.20000111
532A26.9Very low29.6Very low87 Ų87108.2 Ų108.272%0.71955%0.549SS*.THydrogen-bonded Turntrans-125.6-4.6170.500000113.6H530 V534H530-A532 PolarHBondContact O-N 3.06Å; A532-V534 VanDerWaalsContact C-N 3.29Å
533Y23Very low29.5Very low209 Ų209113 Ų11382%0.8257%0.569SS**SBendtrans-84.81170.5-79.9-73.7000114.4
534V25Very low29.6Very low130 Ų130113.2 Ų113.279%0.78857%0.574SS**SBendtrans-130.175.8170.9-167.70000108.5A532A532-V534 VanDerWaalsContact C-N 3.29Å
535S23.8Very low29.9Very low99 Ų99113.8 Ų113.869%0.69258%0.581SS**  trans17394.4138.6-72.90000111
536F26.2Very low30.3Very low200 Ų200116.5 Ų116.588%0.87759%0.591SS**  trans-42.1168.2144.5-98.3-103.1000112.8
537P32Very low30.7Very low108 Ų108119.3 Ų119.370%0.70161%0.606SS**  -82.9113.5-92.934.4-16.2000112.8
538F25.7Very low31.6Very low158 Ų158120 Ų12069%0.69361%0.607SS**  trans-110.51.5164.8-95.3-83.8000113.9R540F538-R540 VanDerWaalsContact C-N 3.29Å; F538-R540 PolarHBondContact O-N 2.53Å
539V33.2Very low32.3Very low146 Ų146120.3 Ų120.389%0.88561%0.606SS**THydrogen-bonded Turntrans-77-13.5177.9-178.60000112.4
540R27.5Very low33.3Very low229 Ų229120.9 Ų120.986%0.86461%0.608SS**THydrogen-bonded Turntrans-95.82.9-175.3-137.3174.589.2162.43.4116.9F538F538-R540 VanDerWaalsContact C-N 3.29Å; F538-R540 PolarHBondContact O-N 2.53Å
541D33.8Very low34.3Very low77 Ų77116.7 Ų116.741%0.41259%0.59SS.*  trans-153.787.1177.8-120.9-33.4000113.6K543 T544D541-K543 PolarHBondContact O-N 3.35Å; D541-K543 VanDerWaalsContact O-N 3.09Å; D541-T544 HydrophobicContact CB-CG2 3.87Å; D541-T544 WeakPolarHBondContact O-CB 2.91Å; D541-T544 PolarHBondContact O-N 2.84Å; D541-T544 PolarHBondContact O-OG1 2.83Å
542Y41.1Very low35.3Very low163 Ų163113.5 Ų113.564%0.63956%0.56SS**Hα-helixtrans-55.8-23.9170.167.9-88.5000112.5T544 S545 F546Y542-T544 PolarHBondContact O-N 3.49Å; Y542-S545 PolarHBondContact O-N 3.31Å; Y542-F546 PolarHBondContact O-N 3.34Å
543K34Very low36.1Very low119 Ų119111.2 Ų111.252%0.51754%0.536SS..Hα-helixtrans-57.2-38.3171.7-68.3-178.9178177.20111.6D541 F546 I547D541-K543 PolarHBondContact O-N 3.35Å; D541-K543 VanDerWaalsContact O-N 3.09Å; K543-F546 PolarHBondContact O-N 3.09Å; K543-I547 WeakPolarHBondContact O-CB 3.46Å; K543-I547 WeakPolarHBondContact O-CD1 3.31Å; K543-I547 WeakPolarHBondContact O-CG1 3.32Å; K543-I547 PolarHBondContact O-N 3.19Å
544T36.3Very low37Very low53 Ų53102.7 Ų102.733%0.32551%0.506SS..Hα-helixtrans-69.2-39.3178.463.30000112.1D541 Y542 I547 F548D541-T544 HydrophobicContact CB-CG2 3.87Å; D541-T544 WeakPolarHBondContact O-CB 2.91Å; D541-T544 PolarHBondContact O-N 2.84Å; D541-T544 PolarHBondContact O-OG1 2.83Å; Y542-T544 PolarHBondContact O-N 3.49Å; T544-I547 PolarHBondContact O-N 2.68Å; T544-F548 WeakPolarHBondContact O-CB 3.49Å; T544-F548 PolarHBondContact O-N 2.79Å
545S39.7Very low37.9Very low43 Ų43100.9 Ų100.930%0.30149%0.489SS..Hα-helixtrans-66.5-37.2176.6-1610000111.9I272 Y542 M549I272-S545 VanDerWaalsContact CD1-OG 3.29Å; I272-S545 WeakPolarHBondContact CD1-OG 3.33Å; Y542-S545 PolarHBondContact O-N 3.31Å; S545-M549 WeakPolarHBondContact O-CG 3.05Å; S545-M549 PolarHBondContact O-N 3.36Å
546F43.7Very low38.8Very low70 Ų7097.7 Ų97.731%0.30747%0.465SS..Hα-helixtrans-71.1-45.2174.8-176-94000112.6L340 Y542 K543 F548 M549 Y550L340-F546 HydrophobicContact CB-CE2 4.33Å; L340-F546 HydrophobicContact CB-CZ 3.9Å; L340-F546 HydrophobicContact CD1-CD1 4.07Å; L340-F546 HydrophobicContact CD1-CD2 4.2Å; L340-F546 HydrophobicContact CD1-CE1 3.83Å; L340-F546 HydrophobicContact CD1-CE2 3.96Å; L340-F546 HydrophobicContact CD1-CG 4.25Å; L340-F546 HydrophobicContact CD1-CZ 3.77Å; L340-F546 HydrophobicContact CG-CZ 4.4Å; Y542-F546 PolarHBondContact O-N 3.34Å; K543-F546 PolarHBondContact O-N 3.09Å; F546-F548 VanDerWaalsContact C-N 3.25Å; F546-F548 PolarHBondContact O-N 3.35Å; F546-M549 PolarHBondContact O-N 3.08Å; F546-Y550 WeakPolarHBondContact O-CB 3.5Å; F546-Y550 PolarHBondContact O-N 2.7Å
547I42.4Very low39.3Very low94 Ų9494.6 Ų94.648%0.48245%0.452SS..Hα-helixtrans-59.8-40.7173.9-70.2164.8000109.9K543 T544 Y550 L551K543-I547 WeakPolarHBondContact O-CB 3.46Å; K543-I547 WeakPolarHBondContact O-CD1 3.31Å; K543-I547 WeakPolarHBondContact O-CG1 3.32Å; K543-I547 PolarHBondContact O-N 3.19Å; T544-I547 PolarHBondContact O-N 2.68Å; I547-Y550 PolarHBondContact O-N 3.36Å; I547-L551 HydrophobicContact CG2-CD1 3.52Å; I547-L551 HydrophobicContact CG2-CG 4.19Å; I547-L551 VanDerWaalsContact O-CB 3.27Å; I547-L551 WeakPolarHBondContact O-CB 3.49Å; I547-L551 VanDerWaalsContact O-CG 3.23Å; I547-L551 WeakPolarHBondContact O-CG 3.1Å; I547-L551 PolarHBondContact O-N 2.76Å
548F44.9Very low39.6Very low74 Ų7493.2 Ų93.233%0.32546%0.458SS..Hα-helixtrans-59.6-52.8173-174.2-85.7000110.7L264 T544 F546 Y550 L551 F552L264-F548 HydrophobicContact CD2-CZ 4.25Å; T544-F548 WeakPolarHBondContact O-CB 3.49Å; T544-F548 PolarHBondContact O-N 2.79Å; F546-F548 VanDerWaalsContact C-N 3.25Å; F546-F548 PolarHBondContact O-N 3.35Å; F548-Y550 PolarHBondContact O-N 3.41Å; F548-L551 PolarHBondContact O-N 2.55Å; F548-F552 HydrophobicContact CB-CD2 4.12Å; F548-F552 HydrophobicContact CB-CE2 4.4Å; F548-F552 AromaticContact CD1-CD2 3.87Å; F548-F552 HydrophobicContact CD1-CD2 3.87Å; F548-F552 AromaticContact CD2-CD2 3.26Å; F548-F552 HydrophobicContact CD2-CD2 3.26Å; F548-F552 AromaticContact CD2-CE2 3.19Å; F548-F552 HydrophobicContact CD2-CE2 3.19Å; F548-F552 HydrophobicContact CD2-CG 4.48Å; F548-F552 HydrophobicContact CD2-CZ 4.34Å; F548-F552 HydrophobicContact CE1-CD2 4.02Å; F548-F552 AromaticContact CE2-CD2 3.41Å; F548-F552 HydrophobicContact CE2-CD2 3.41Å; F548-F552 VanDerWaalsContact CE2-CD2 3.41Å; F548-F552 AromaticContact CE2-CE2 3.4Å; F548-F552 HydrophobicContact CE2-CE2 3.4Å; F548-F552 VanDerWaalsContact CE2-CE2 3.4Å; F548-F552 HydrophobicContact CE2-CG 4.34Å; F548-F552 HydrophobicContact CE2-CZ 4.25Å; F548-F552 AromaticContact CG-CD2 3.48Å; F548-F552 HydrophobicContact CG-CD2 3.48Å; F548-F552 VanDerWaalsContact CG-CD2 3.48Å; F548-F552 AromaticContact CG-CE2 3.85Å; F548-F552 HydrophobicContact CG-CE2 3.85Å; F548-F552 AromaticContact CZ-CD2 3.79Å; F548-F552 HydrophobicContact CZ-CD2 3.79Å; F548-F552 HydrophobicContact CZ-CE2 4.23Å; F548-F552 HydrophobicContact CZ-CG 4.39Å; F548-F552 VanDerWaalsContact O-CB 3.25Å; F548-F552 WeakPolarHBondContact O-CB 3.48Å; F548-F552 WeakPolarHBondContact O-CD2 3.4Å; F548-F552 WeakPolarHBondContact O-CG 3.28Å; F548-F552 PolarHBondContact O-N 3.23Å
549M45.8Very low40.3Very low41 Ų4187.8 Ų87.820%0.20244%0.437CS..Hα-helixtrans-60.6-42.6178.2-73.6-151.3-159.500113.2L269 I272 M510 S545 F546 L553L269-M549 HydrophobicContact CD2-CE 3.64Å; L269-M549 HydrophobicContact CD2-SD 4.01Å; I272-M549 HydrophobicContact CD1-CE 3.29Å; M510-M549 HydrophobicContact CE-SD 4.1Å; S545-M549 WeakPolarHBondContact O-CG 3.05Å; S545-M549 PolarHBondContact O-N 3.36Å; F546-M549 PolarHBondContact O-N 3.08Å; M549-L553 HydrophobicContact CB-CD1 4.02Å; M549-L553 HydrophobicContact CG-CD1 4.14Å; M549-L553 WeakPolarHBondContact O-CB 3.48Å; M549-L553 WeakPolarHBondContact O-CD1 3.32Å; M549-L553 PolarHBondContact O-N 2.87Å; M549-L553 HydrophobicContact SD-CD1 4.49Å
550Y45.4Very low40.4Very low159 Ų15984.4 Ų84.462%0.62442%0.418SS*.Hα-helixtrans-67.1-38.4-179.8-178.6-94.6000112.6F546 I547 F548F546-Y550 WeakPolarHBondContact O-CB 3.5Å; F546-Y550 PolarHBondContact O-N 2.7Å; I547-Y550 PolarHBondContact O-N 3.36Å; F548-Y550 PolarHBondContact O-N 3.41Å
551L44.7Very low41Very low63 Ų6374.9 Ų74.933%0.3338%0.384SS..Hα-helixtrans-77.3-32.4178.9-70.7173.1000112.8I547 F548I547-L551 HydrophobicContact CG2-CD1 3.52Å; I547-L551 HydrophobicContact CG2-CG 4.19Å; I547-L551 VanDerWaalsContact O-CB 3.27Å; I547-L551 WeakPolarHBondContact O-CB 3.49Å; I547-L551 VanDerWaalsContact O-CG 3.23Å; I547-L551 WeakPolarHBondContact O-CG 3.1Å; I547-L551 PolarHBondContact O-N 2.76Å; F548-L551 PolarHBondContact O-N 2.55Å
552F45.6Very low41.5Very low61 Ų6175.7 Ų75.727%0.26839%0.389SS..Hα-helixtrans-107-16-167.3-64.5-63.1000115.9F548 P554 W572F548-F552 HydrophobicContact CB-CD2 4.12Å; F548-F552 HydrophobicContact CB-CE2 4.4Å; F548-F552 AromaticContact CD1-CD2 3.87Å; F548-F552 HydrophobicContact CD1-CD2 3.87Å; F548-F552 AromaticContact CD2-CD2 3.26Å; F548-F552 HydrophobicContact CD2-CD2 3.26Å; F548-F552 AromaticContact CD2-CE2 3.19Å; F548-F552 HydrophobicContact CD2-CE2 3.19Å; F548-F552 HydrophobicContact CD2-CG 4.48Å; F548-F552 HydrophobicContact CD2-CZ 4.34Å; F548-F552 HydrophobicContact CE1-CD2 4.02Å; F548-F552 AromaticContact CE2-CD2 3.41Å; F548-F552 HydrophobicContact CE2-CD2 3.41Å; F548-F552 VanDerWaalsContact CE2-CD2 3.41Å; F548-F552 AromaticContact CE2-CE2 3.4Å; F548-F552 HydrophobicContact CE2-CE2 3.4Å; F548-F552 VanDerWaalsContact CE2-CE2 3.4Å; F548-F552 HydrophobicContact CE2-CG 4.34Å; F548-F552 HydrophobicContact CE2-CZ 4.25Å; F548-F552 AromaticContact CG-CD2 3.48Å; F548-F552 HydrophobicContact CG-CD2 3.48Å; F548-F552 VanDerWaalsContact CG-CD2 3.48Å; F548-F552 AromaticContact CG-CE2 3.85Å; F548-F552 HydrophobicContact CG-CE2 3.85Å; F548-F552 AromaticContact CZ-CD2 3.79Å; F548-F552 HydrophobicContact CZ-CD2 3.79Å; F548-F552 HydrophobicContact CZ-CE2 4.23Å; F548-F552 HydrophobicContact CZ-CG 4.39Å; F548-F552 VanDerWaalsContact O-CB 3.25Å; F548-F552 WeakPolarHBondContact O-CB 3.48Å; F548-F552 WeakPolarHBondContact O-CD2 3.4Å; F548-F552 WeakPolarHBondContact O-CG 3.28Å; F548-F552 PolarHBondContact O-N 3.23Å; F552-P554 WeakPolarHBondContact O-CD 3.3Å; F552-W572 HydrophobicContact CD1-CB 4.36Å; F552-W572 AromaticContact CD1-CE3 3.58Å; F552-W572 HydrophobicContact CD1-CE3 3.58Å; F552-W572 HydrophobicContact CD1-CZ3 4.27Å; F552-W572 WeakPolarHBondContact CD1-O 3.47Å; F552-W572 HydrophobicContact CE1-CB 4.2Å; F552-W572 HydrophobicContact CE1-CD2 4.5Å; F552-W572 AromaticContact CE1-CE3 3.78Å; F552-W572 HydrophobicContact CE1-CE3 3.78Å
553L43.8Very low41.6Very low40 Ų4071.4 Ų71.421%0.20938%0.377CS..SBendtrans-85.2119.3172.2-91.390.3000111I265 M510 M549I265-L553 HydrophobicContact CG2-CD1 4.39Å; M510-L553 HydrophobicContact CB-CD2 3.98Å; M510-L553 HydrophobicContact CG-CD2 4.16Å; M510-L553 HydrophobicContact SD-CD2 3.48Å; M510-L553 WeakPolarHBondContact SD-CD2 3.48Å; M549-L553 HydrophobicContact CB-CD1 4.02Å; M549-L553 HydrophobicContact CG-CD1 4.14Å; M549-L553 WeakPolarHBondContact O-CB 3.48Å; M549-L553 WeakPolarHBondContact O-CD1 3.32Å; M549-L553 PolarHBondContact O-N 2.87Å; M549-L553 HydrophobicContact SD-CD1 4.49Å
554P43Very low42.2Very low29 Ų2965.9 Ų65.919%0.18835%0.353CS..  trans-71.5138.8172.327.4-31.6000111.8F552 T556 L567 L568F552-P554 WeakPolarHBondContact O-CD 3.3Å; P554-T556 PolarHBondContact O-N 3.15Å; P554-L567 HydrophobicContact CB-CD2 4.48Å; P554-L568 HydrophobicContact CG-CD2 4.25Å
555E43.2Very low42.5Very low92 Ų9267.7 Ų67.743%0.4336%0.357SS..  trans-66.7115.3174.9-169.2176.6-178.800111.1K557 L567E555-K557 VanDerWaalsContact C-N 3.33Å; E555-K557 HydrophobicContact CG-CB 4.18Å; E555-K557 PolarHBondContact O-N 3.02Å; E555-L567 VanDerWaalsContact O-CD2 3.23Å; E555-L567 WeakPolarHBondContact O-CD2 3.15Å
556T42.7Very low43Very low32 Ų3271.3 Ų71.320%0.19637%0.37CS..  trans-93.823.5-172.550.70000114.3Q513 P554 G558 L567Q513-T556 HydrophobicContact CG-CG2 3.79Å; P554-T556 PolarHBondContact O-N 3.15Å; T556-G558 PolarHBondContact O-N 2.91Å; T556-L567 HydrophobicContact CG2-CD1 3.8Å
557K37.4Very low43.1Very low135 Ų13569.1 Ų69.159%0.58736%0.361SS*.THydrogen-bonded Turntrans-60.8117.9-172.4-172.8180179.8-178.50111.7E555 V559E555-K557 VanDerWaalsContact C-N 3.33Å; E555-K557 HydrophobicContact CG-CB 4.18Å; E555-K557 PolarHBondContact O-N 3.02Å; K557-V559 PolarHBondContact O-N 3.41Å
558G38.2Very low43.4Very low80 Ų8065 Ų6583%0.82534%0.34SS*.THydrogen-bonded Turntrans79.77.9169.500000116.2T556T556-G558 PolarHBondContact O-N 2.91Å
559V39.2Very low43.7Very low44 Ų4468.1 Ų68.127%0.26735%0.353SS..  trans-95.9124.1-177-175.10000110.7K557 N563 I564 L567K557-V559 PolarHBondContact O-N 3.41Å; V559-N563 VanDerWaalsContact CG1-C 3.47Å; V559-N563 HydrophobicContact CG1-CB 3.32Å; V559-I564 HydrophobicContact CG1-CG1 4.19Å; V559-L567 HydrophobicContact CB-CD1 3.78Å; V559-L567 HydrophobicContact CG1-CD1 3.98Å; V559-L567 HydrophobicContact CG2-CD1 3.56Å; V559-L567 HydrophobicContact CG2-CG 4.25Å
560P36.8Very low43.9Very low75 Ų7570.2 Ų70.249%0.48736%0.363SS..  trans-56.1153.2170.8-21.430.8000111.8D562 N563P560-D562 PolarHBondContact O-N 3.02Å; P560-N563 PolarHBondContact O-N 2.62Å
561L39.8Very low43.9Very low29 Ų2967 Ų6715%0.15236%0.362CS..THydrogen-bonded Turntrans-54.9-28.9-174.1-167.173.4000113.2Q513 I564Q513-L561 WeakPolarHBondContact O-CD1 3.12Å; L561-I564 VanDerWaalsContact CA-CD1 3.49Å; L561-I564 HydrophobicContact CB-CD1 4.43Å; L561-I564 HydrophobicContact CD1-CD1 3.77Å; L561-I564 HydrophobicContact CG-CD1 4.37Å; L561-I564 WeakPolarHBondContact O-CD1 3.23Å
562D43.3Very low44.1Very low94 Ų9468 Ų6850%0.50336%0.361SS..THydrogen-bonded Turntrans-81.9-21.8-177.1-52.6-48.3000112.9P560P560-D562 PolarHBondContact O-N 3.02Å
563N43.3Very low43.9Very low73 Ų7370.2 Ų70.239%0.3937%0.374SS..THydrogen-bonded Turntrans-92.8-0.4-178.9-724.3000113.5V559 P560 E565 E566V559-N563 VanDerWaalsContact CG1-C 3.47Å; V559-N563 HydrophobicContact CG1-CB 3.32Å; P560-N563 PolarHBondContact O-N 2.62Å; N563-E565 PolarHBondContact O-N 2.84Å; N563-E566 VanDerWaalsContact O-CB 3.32Å; N563-E566 WeakPolarHBondContact O-CB 3.45Å; N563-E566 PolarHBondContact O-N 3.19Å
564I46.1Very low44.1Very low3 Ų371.8 Ų71.82%0.01538%0.381CS..Hα-helixtrans-67.3-23.4-179.5-68.4153.3000112.1Q513 H514 V559 L561 E566 L567 L568Q513-I564 HydrophobicContact CB-CD1 4.24Å; Q513-I564 HydrophobicContact CG-CD1 3.46Å; Q513-I564 VanDerWaalsContact CG-CD1 3.46Å; Q513-I564 HydrophobicContact CG-CG1 4.07Å; Q513-I564 HydrophobicContact CG-CG2 4.18Å; Q513-I564 WeakPolarHBondContact O-CD1 3.09Å; H514-I564 WeakPolarHBondContact CE1-CG2 3.12Å; V559-I564 HydrophobicContact CG1-CG1 4.19Å; L561-I564 VanDerWaalsContact CA-CD1 3.49Å; L561-I564 HydrophobicContact CB-CD1 4.43Å; L561-I564 HydrophobicContact CD1-CD1 3.77Å; L561-I564 HydrophobicContact CG-CD1 4.37Å; L561-I564 WeakPolarHBondContact O-CD1 3.23Å; I564-E566 PolarHBondContact O-N 3.34Å; I564-L567 PolarHBondContact O-N 2.95Å; I564-L568 PolarHBondContact O-N 3.23Å
565E44Very low43.8Very low90 Ų9079.4 Ų79.442%0.42141%0.411SS..Hα-helixtrans-59.9-25.7170.4-65.1-167.2172.400112K516 N563K516-E565 WeakPolarHBondContact CD-OE1 3.45Å; K516-E565 WeakPolarHBondContact CE-OE1 3.2Å; K516-E565 IonicContact NZ-OE1 3.47Å; K516-E565 PolarHBondContact NZ-OE1 3.15Å; K516-E565 IonicContact NZ-OE2 2.67Å; K516-E565 PolarHBondContact NZ-OE2 2.98Å; N563-E565 PolarHBondContact O-N 2.84Å
566E50.2Low43.5Very low120 Ų12084.2 Ų84.256%0.56143%0.43SS*.Hα-helixtrans-75.7-36.7175.7-60-173.414800112.7N563 I564 L568 K569N563-E566 VanDerWaalsContact O-CB 3.32Å; N563-E566 WeakPolarHBondContact O-CB 3.45Å; N563-E566 PolarHBondContact O-N 3.19Å; I564-E566 PolarHBondContact O-N 3.34Å; E566-L568 VanDerWaalsContact C-N 3.28Å; E566-L568 PolarHBondContact O-N 3.03Å; E566-K569 WeakPolarHBondContact O-CB 3.38Å; E566-K569 PolarHBondContact O-N 3.19Å
567L45.2Very low43.2Very low23 Ų2395.6 Ų95.612%0.1248%0.477CS..Hα-helixtrans-62.4-34.2176.5-90.6157.6000112.8P554 E555 T556 V559 I564 K569 E570P554-L567 HydrophobicContact CB-CD2 4.48Å; E555-L567 VanDerWaalsContact O-CD2 3.23Å; E555-L567 WeakPolarHBondContact O-CD2 3.15Å; T556-L567 HydrophobicContact CG2-CD1 3.8Å; V559-L567 HydrophobicContact CB-CD1 3.78Å; V559-L567 HydrophobicContact CG1-CD1 3.98Å; V559-L567 HydrophobicContact CG2-CD1 3.56Å; V559-L567 HydrophobicContact CG2-CG 4.25Å; I564-L567 PolarHBondContact O-N 2.95Å; L567-K569 VanDerWaalsContact C-N 3.27Å; L567-K569 PolarHBondContact O-N 3.36Å; L567-E570 PolarHBondContact O-N 3.19Å
568L48.7Very low43.4Very low8 Ų893.6 Ų93.64%0.04247%0.471CS..Hα-helixtrans-69.7-25.3178.7-74.6-179.1000112.6E258 K261 A262 H514 P554 I564 E566 E570E258-L568 HydrophobicContact CB-CB 4.03Å; E258-L568 HydrophobicContact CB-CD1 3.95Å; E258-L568 VanDerWaalsContact CD-C 3.48Å; E258-L568 HydrophobicContact CG-CB 4.09Å; E258-L568 WeakPolarHBondContact OE2-CB 3.39Å; K261-L568 HydrophobicContact CB-CD2 4.43Å; K261-L568 HydrophobicContact CD-CD2 4.49Å; K261-L568 PolarHBondContact NZ-O 3.11Å; A262-L568 HydrophobicContact CB-CD1 4.36Å; H514-L568 WeakPolarHBondContact CE1-CD1 3Å; P554-L568 HydrophobicContact CG-CD2 4.25Å; I564-L568 PolarHBondContact O-N 3.23Å; E566-L568 VanDerWaalsContact C-N 3.28Å; E566-L568 PolarHBondContact O-N 3.03Å; L568-E570 PolarHBondContact O-N 3.34Å; L568-E570 VanDerWaalsContact O-N 3.08Å
569K50.4Low43.7Very low139 Ų13994.3 Ų94.360%0.60445%0.453SS*.THydrogen-bonded Turntrans-61.6-18.2177.8-63.8177.7-179.1172.10113.1E566 L567E566-K569 WeakPolarHBondContact O-CB 3.38Å; E566-K569 PolarHBondContact O-N 3.19Å; L567-K569 VanDerWaalsContact C-N 3.27Å; L567-K569 PolarHBondContact O-N 3.36Å
570E51Low44Very low85 Ų8597.1 Ų97.140%0.39746%0.463SS..SBendtrans-66.8151.3177.8-67-166.7162.100113K261 L567 L568 Q574K261-E570 PolarHBondContact NZ-O 3.45Å; L567-E570 PolarHBondContact O-N 3.19Å; L568-E570 PolarHBondContact O-N 3.34Å; L568-E570 VanDerWaalsContact O-N 3.08Å; E570-Q574 PolarHBondContact OE2-NE2 3.47Å
571P45.8Very low44.4Very low93 Ų9398.4 Ų98.460%0.60446%0.462SS*.  trans-60.6155.2178.921.3-30.6000113.6I573P571-I573 PolarHBondContact O-N 3.24Å; P571-I573 VanDerWaalsContact O-N 3.08Å
572W47.9Very low44.7Very low84 Ų84102.8 Ų102.832%0.31848%0.481SS..SBendtrans-59.6-20.2-172.2-72.7100.6000115.5K261 F552K261-W572 HydrophobicContact CG-CE3 4.4Å; K261-W572 HydrophobicContact CG-CH2 3.68Å; K261-W572 HydrophobicContact CG-CZ2 3.93Å; K261-W572 HydrophobicContact CG-CZ3 3.93Å; F552-W572 HydrophobicContact CD1-CB 4.36Å; F552-W572 AromaticContact CD1-CE3 3.58Å; F552-W572 HydrophobicContact CD1-CE3 3.58Å; F552-W572 HydrophobicContact CD1-CZ3 4.27Å; F552-W572 WeakPolarHBondContact CD1-O 3.47Å; F552-W572 HydrophobicContact CE1-CB 4.2Å; F552-W572 HydrophobicContact CE1-CD2 4.5Å; F552-W572 AromaticContact CE1-CE3 3.78Å; F552-W572 HydrophobicContact CE1-CE3 3.78Å
573I41.6Very low44.8Very low106 Ų106103.3 Ų103.354%0.54448%0.48SS..SBendtrans-117.8109.6-179.4-61.1169000106.2P571 K575P571-I573 PolarHBondContact O-N 3.24Å; P571-I573 VanDerWaalsContact O-N 3.08Å; I573-K575 PolarHBondContact O-N 3.07Å
574Q47.9Very low44.9Very low73 Ų73105.5 Ų105.534%0.34149%0.486SS..  trans-70.2100.6168.7-67.6-156.8-32.900108.2E570 K576E570-Q574 PolarHBondContact OE2-NE2 3.47Å; Q574-K576 PolarHBondContact O-N 3.45Å
575K38.1Very low44.8Very low189 Ų189113.4 Ų113.482%0.82252%0.522SS*.  trans-66.4124161.3-76.5-173.3178-177.70106.3I573 K577I573-K575 PolarHBondContact O-N 3.07Å; K575-K577 PolarHBondContact O-N 3.33Å; K575-K577 VanDerWaalsContact O-N 3.09Å
576K35.7Very low44.9Very low193 Ų193115.3 Ų115.384%0.83953%0.531SS*.  trans-42.2119.6170.9-120.4-179177.6-177.10108.4Q574Q574-K576 PolarHBondContact O-N 3.45Å
577K35.8Very low44.4Very low271 Ų271114.9 Ų114.9100%1.17853%0.528SS*.  trans-72.50159.3-86.6-172.3178.2175.50108.9K575K575-K577 PolarHBondContact O-N 3.33Å; K575-K577 VanDerWaalsContact O-N 3.09Å

Retrieved 577 of 577 residues in 773.5 ms (Link to these results)

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