C4PYV8_SCHMA Loading...

Fasting-inducible integral membrane protein tm6p1-related

AlphaFold DB , UniProt , Accession C4PYV8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 252 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
1M58.3Low89.8Confident196 Ų19666.7 Ų66.797%0.96636%0.358SS*.  0138.30-79.1-178.8-84.300107.1S3 S232M1-S3 PolarHBondContact O-N 3.3Å; M1-S232 VanDerWaalsContact CE-OG 3.22Å; M1-S232 WeakPolarHBondContact CE-OG 3.39Å; M1-S232 VanDerWaalsContact SD-CB 3.57Å; M1-S232 PolarHBondContact SD-OG 3.04Å; M1-S232 VanDerWaalsContact SD-OG 3.38Å
2A75.8Confident90.5Very high97 Ų9763.5 Ų63.580%0.80235%0.352SS*.  trans-63.5134.1179.300000109.6
3S85Confident91.1Very high61 Ų6158.6 Ų58.643%0.42733%0.325SS..  trans-75.5149.7168.155.70000109.5M1 E229M1-S3 PolarHBondContact O-N 3.3Å; S3-E229 WeakPolarHBondContact CB-OE2 3.37Å; S3-E229 VanDerWaalsContact OG-CD 3.27Å; S3-E229 PolarHBondContact OG-OE2 2.66Å
4F88.8Confident91.6Very high89 Ų8957.1 Ų57.139%0.3932%0.316SS..EExtended strand (participates in β ladder)trans-115.1121179.6-177.4-95.6000110V6 Y8 F9 E229 L230F4-V6 PolarHBondContact O-N 3.49Å; F4-Y8 HydrophobicContact CE2-CD2 4.16Å; F4-Y8 HydrophobicContact CZ-CD2 4.16Å; F4-Y8 HydrophobicContact CZ-CG 4.31Å; F4-F9 HydrophobicContact CD1-CD2 4.36Å; F4-F9 AromaticContact CD1-CE2 3.71Å; F4-F9 HydrophobicContact CD1-CE2 3.71Å; F4-F9 AromaticContact CD1-CZ 3.8Å; F4-F9 HydrophobicContact CD1-CZ 3.8Å; F4-F9 HydrophobicContact CE1-CD1 4.18Å; F4-F9 AromaticContact CE1-CD2 3.92Å; F4-F9 HydrophobicContact CE1-CD2 3.92Å; F4-F9 AromaticContact CE1-CE1 3.88Å; F4-F9 HydrophobicContact CE1-CE1 3.88Å; F4-F9 AromaticContact CE1-CE2 3.6Å; F4-F9 HydrophobicContact CE1-CE2 3.6Å; F4-F9 HydrophobicContact CE1-CG 4.2Å; F4-F9 AromaticContact CE1-CZ 3.58Å; F4-F9 HydrophobicContact CE1-CZ 3.58Å; F4-E229 CarbonylContact O-C 3.58Å; F4-E229 WeakPolarHBondContact O-CA 3.45Å; F4-L230 HydrophobicContact CB-CB 4.45Å; F4-L230 PolarHBondContact N-O 2.61Å; F4-L230 PolarHBondContact O-N 3.24Å
5A95Very high92.1Very high17 Ų1761.3 Ų61.314%0.1434%0.337CS..EExtended strand (participates in β ladder)trans-67.3124.3-178.700000110.9H7 Y8A5-H7 VanDerWaalsContact C-N 3.3Å; A5-H7 PolarHBondContact O-N 3.38Å; A5-Y8 HydrophobicContact CB-CD2 3.77Å; A5-Y8 HydrophobicContact CB-CE2 3.71Å; A5-Y8 WeakPolarHBondContact O-CB 3Å; A5-Y8 WeakPolarHBondContact O-CD2 3.22Å; A5-Y8 PolarHBondContact O-N 3.26Å; A5-Y8 VanDerWaalsContact O-N 3.16Å
6V96.2Very high92.5Very high9 Ų959.2 Ų59.26%0.05533%0.33CS..THydrogen-bonded Turntrans-64.4-34.1-168.1171.90000112.5F4 Y8 F9 C71 L225 Y228 L230F4-V6 PolarHBondContact O-N 3.49Å; V6-Y8 PolarHBondContact O-N 3.1Å; V6-Y8 VanDerWaalsContact O-N 3.11Å; V6-F9 HydrophobicContact CG1-CD2 4.5Å; V6-F9 WeakPolarHBondContact O-CB 3.35Å; V6-F9 WeakPolarHBondContact O-CD2 3.49Å; V6-F9 PolarHBondContact O-N 3.44Å; V6-C71 HydrophobicContact CG1-CB 3.5Å; V6-L225 HydrophobicContact CG1-CB 4.17Å; V6-L225 HydrophobicContact CG1-CD1 4.32Å; V6-L225 HydrophobicContact CG1-CD2 3.95Å; V6-L225 HydrophobicContact CG1-CG 4.37Å; V6-Y228 WeakPolarHBondContact CB-O 3.28Å; V6-Y228 WeakPolarHBondContact CG2-O 3.47Å; V6-Y228 PolarHBondContact N-O 2.79Å; V6-L230 HydrophobicContact CG2-CB 4.39Å
7H96.5Very high92.9Very high33 Ų3356.7 Ų56.715%0.15332%0.315CS..Hα-helixtrans-61.4-19.117971-79000114.5A5 F9 V10 I11 I222 L225 R226A5-H7 VanDerWaalsContact C-N 3.3Å; A5-H7 PolarHBondContact O-N 3.38Å; H7-F9 PolarHBondContact O-N 3.13Å; H7-V10 WeakPolarHBondContact O-CB 3.47Å; H7-V10 PolarHBondContact O-N 3.12Å; H7-V10 VanDerWaalsContact O-N 3.12Å; H7-I11 PolarHBondContact O-N 3.27Å; H7-I222 HydrophobicContact CB-CB 4.48Å; H7-I222 HydrophobicContact CB-CG1 4.45Å; H7-I222 HydrophobicContact CB-CG2 4.01Å; H7-L225 HydrophobicContact CB-CB 4.2Å; H7-R226 HydrophobicContact CB-CB 4.38Å
8Y97.3Very high93.2Very high126 Ų12657.4 Ų57.449%0.49432%0.321SS..Hα-helixtrans-65.8-24.9173.9-68.7-43.9000113F4 A5 V6 V10 I11 G12F4-Y8 HydrophobicContact CE2-CD2 4.16Å; F4-Y8 HydrophobicContact CZ-CD2 4.16Å; F4-Y8 HydrophobicContact CZ-CG 4.31Å; A5-Y8 HydrophobicContact CB-CD2 3.77Å; A5-Y8 HydrophobicContact CB-CE2 3.71Å; A5-Y8 WeakPolarHBondContact O-CB 3Å; A5-Y8 WeakPolarHBondContact O-CD2 3.22Å; A5-Y8 PolarHBondContact O-N 3.26Å; A5-Y8 VanDerWaalsContact O-N 3.16Å; V6-Y8 PolarHBondContact O-N 3.1Å; V6-Y8 VanDerWaalsContact O-N 3.11Å; Y8-V10 VanDerWaalsContact C-N 3.31Å; Y8-I11 HydrophobicContact CD1-CD1 4.04Å; Y8-I11 HydrophobicContact CE1-CD1 4.49Å; Y8-I11 PolarHBondContact O-N 2.93Å; Y8-G12 PolarHBondContact O-N 3.27Å
9F97.6Very high93.4Very high43 Ų4355.7 Ų55.719%0.18932%0.318CS..Hα-helixtrans-63.5-39.7170.9-68.7-61.3000111.7F4 V6 H7 G12 L13 L64 V67 L230F4-F9 HydrophobicContact CD1-CD2 4.36Å; F4-F9 AromaticContact CD1-CE2 3.71Å; F4-F9 HydrophobicContact CD1-CE2 3.71Å; F4-F9 AromaticContact CD1-CZ 3.8Å; F4-F9 HydrophobicContact CD1-CZ 3.8Å; F4-F9 HydrophobicContact CE1-CD1 4.18Å; F4-F9 AromaticContact CE1-CD2 3.92Å; F4-F9 HydrophobicContact CE1-CD2 3.92Å; F4-F9 AromaticContact CE1-CE1 3.88Å; F4-F9 HydrophobicContact CE1-CE1 3.88Å; F4-F9 AromaticContact CE1-CE2 3.6Å; F4-F9 HydrophobicContact CE1-CE2 3.6Å; F4-F9 HydrophobicContact CE1-CG 4.2Å; F4-F9 AromaticContact CE1-CZ 3.58Å; F4-F9 HydrophobicContact CE1-CZ 3.58Å; V6-F9 HydrophobicContact CG1-CD2 4.5Å; V6-F9 WeakPolarHBondContact O-CB 3.35Å; V6-F9 WeakPolarHBondContact O-CD2 3.49Å; V6-F9 PolarHBondContact O-N 3.44Å; H7-F9 PolarHBondContact O-N 3.13Å; F9-G12 PolarHBondContact O-N 3.43Å; F9-L13 WeakPolarHBondContact O-CB 3.43Å; F9-L13 PolarHBondContact O-N 2.99Å; F9-L64 HydrophobicContact CD1-CD2 4.37Å; F9-V67 HydrophobicContact CB-CG1 4.31Å; F9-V67 HydrophobicContact CD1-CG1 3.92Å; F9-V67 HydrophobicContact CD2-CG1 3.86Å; F9-V67 HydrophobicContact CE1-CG1 4.16Å; F9-V67 HydrophobicContact CE2-CG1 4.1Å; F9-V67 HydrophobicContact CG-CG1 3.77Å; F9-V67 HydrophobicContact CZ-CG1 4.25Å; F9-L230 HydrophobicContact CE2-CD2 4.24Å; F9-L230 HydrophobicContact CZ-CD2 4.22Å
10V98.4Very high93.7Very high0 Ų053 Ų530%030%0.302CS..Hα-helixtrans-68.5-42.8178.6-177.70000111.1H7 Y8 G12 L13 I14 C68 F218 I222 L225H7-V10 WeakPolarHBondContact O-CB 3.47Å; H7-V10 PolarHBondContact O-N 3.12Å; H7-V10 VanDerWaalsContact O-N 3.12Å; Y8-V10 VanDerWaalsContact C-N 3.31Å; V10-G12 VanDerWaalsContact C-N 3.34Å; V10-L13 WeakPolarHBondContact O-CB 3.33Å; V10-L13 PolarHBondContact O-N 3.47Å; V10-I14 HydrophobicContact CG1-CD1 4.04Å; V10-I14 WeakPolarHBondContact O-CG1 3.22Å; V10-I14 PolarHBondContact O-N 3.29Å; V10-C68 HydrophobicContact CG2-CB 4.23Å; V10-F218 HydrophobicContact CG1-CB 4.12Å; V10-F218 VanDerWaalsContact CG1-O 3.25Å; V10-F218 WeakPolarHBondContact CG1-O 3.4Å; V10-I222 HydrophobicContact CB-CD1 4.4Å; V10-I222 HydrophobicContact CB-CG1 3.89Å; V10-I222 HydrophobicContact CG1-CD1 4.04Å; V10-I222 HydrophobicContact CG1-CG1 3.7Å; V10-L225 HydrophobicContact CG2-CD1 3.73Å
11I98.4Very high93.9Very high63 Ų6351.7 Ų51.732%0.32329%0.293SS..Hα-helixtrans-61.9-46.1175.2-65.8168.9000110H7 Y8 L13 I14 L15 I222H7-I11 PolarHBondContact O-N 3.27Å; Y8-I11 HydrophobicContact CD1-CD1 4.04Å; Y8-I11 HydrophobicContact CE1-CD1 4.49Å; Y8-I11 PolarHBondContact O-N 2.93Å; I11-L13 VanDerWaalsContact C-N 3.33Å; I11-L13 PolarHBondContact O-N 3.5Å; I11-I14 PolarHBondContact O-N 3.33Å; I11-L15 HydrophobicContact CG2-CD1 4.01Å; I11-L15 HydrophobicContact CG2-CG 4.46Å; I11-L15 WeakPolarHBondContact O-CG 3.47Å; I11-L15 PolarHBondContact O-N 3.01Å; I11-I222 HydrophobicContact CD1-CD1 4.49Å; I11-I222 HydrophobicContact CG1-CD1 3.81Å
12G98.3Very high95.7Very high28 Ų2845.2 Ų45.229%0.28927%0.267SS..Hα-helixtrans-58.3-42.9175.600000112.6Y8 F9 V10 L15 A16Y8-G12 PolarHBondContact O-N 3.27Å; F9-G12 PolarHBondContact O-N 3.43Å; V10-G12 VanDerWaalsContact C-N 3.34Å; G12-L15 PolarHBondContact O-N 3.33Å; G12-A16 WeakPolarHBondContact O-CB 3.27Å; G12-A16 PolarHBondContact O-N 2.82Å
13L98.6Very high96.8Very high0 Ų044 Ų440%025%0.247CC..Hα-helixtrans-59.6-48.8175.3173.462000112F9 V10 I11 L15 A16 I17 C61 L64 S65 C68 F218F9-L13 WeakPolarHBondContact O-CB 3.43Å; F9-L13 PolarHBondContact O-N 2.99Å; V10-L13 WeakPolarHBondContact O-CB 3.33Å; V10-L13 PolarHBondContact O-N 3.47Å; I11-L13 VanDerWaalsContact C-N 3.33Å; I11-L13 PolarHBondContact O-N 3.5Å; L13-L15 PolarHBondContact O-N 3.45Å; L13-A16 PolarHBondContact O-N 3.08Å; L13-I17 HydrophobicContact CD1-CD1 3.74Å; L13-I17 HydrophobicContact CD1-CG1 4.05Å; L13-I17 HydrophobicContact CG-CD1 4.18Å; L13-I17 PolarHBondContact O-N 3.36Å; L13-C61 HydrophobicContact CD1-CB 4.21Å; L13-C61 VanDerWaalsContact CD1-O 3.27Å; L13-C61 WeakPolarHBondContact CD1-O 3.43Å; L13-L64 HydrophobicContact CB-CB 4.16Å; L13-L64 HydrophobicContact CD1-CB 3.96Å; L13-S65 WeakPolarHBondContact CD1-OG 3.44Å; L13-C68 HydrophobicContact CD2-CB 4.49Å; L13-F218 HydrophobicContact CD2-CD1 3.62Å; L13-F218 HydrophobicContact CD2-CD2 4.43Å; L13-F218 HydrophobicContact CD2-CE1 3.76Å; L13-F218 HydrophobicContact CD2-CG 3.98Å; L13-F218 HydrophobicContact CD2-CZ 4.24Å
14I98.7Very high97.3Very high38 Ų3841.2 Ų41.220%0.19523%0.227CC..Hα-helixtrans-62-46.6-178.6-68162.9000110.4V10 I11 A16 I17 V18 L215 A219V10-I14 HydrophobicContact CG1-CD1 4.04Å; V10-I14 WeakPolarHBondContact O-CG1 3.22Å; V10-I14 PolarHBondContact O-N 3.29Å; I11-I14 PolarHBondContact O-N 3.33Å; I14-A16 VanDerWaalsContact C-N 3.32Å; I14-A16 PolarHBondContact O-N 3.25Å; I14-I17 PolarHBondContact O-N 3.34Å; I14-V18 HydrophobicContact CG2-CG2 4.44Å; I14-V18 WeakPolarHBondContact O-CB 3.37Å; I14-V18 VanDerWaalsContact O-CG2 3.3Å; I14-V18 WeakPolarHBondContact O-CG2 3.45Å; I14-V18 PolarHBondContact O-N 3.22Å; I14-L215 HydrophobicContact CG1-CD2 4.25Å; I14-A219 HydrophobicContact CD1-CB 3.7Å
15L98.6Very high97.7Very high120 Ų12040 Ų4063%0.62822%0.22SC*.Hα-helixtrans-62.3-40.6177-67.9174.9000111.7I11 G12 L13 G19I11-L15 HydrophobicContact CG2-CD1 4.01Å; I11-L15 HydrophobicContact CG2-CG 4.46Å; I11-L15 WeakPolarHBondContact O-CG 3.47Å; I11-L15 PolarHBondContact O-N 3.01Å; G12-L15 PolarHBondContact O-N 3.33Å; L13-L15 PolarHBondContact O-N 3.45Å; L15-G19 PolarHBondContact O-N 3.16Å
16A98.5Very high97.8Very high27 Ų2744.2 Ų44.222%0.22324%0.24CC..Hα-helixtrans-64.9-44.2178.300000112G12 L13 I14 G19 T20 C61 L64G12-A16 WeakPolarHBondContact O-CB 3.27Å; G12-A16 PolarHBondContact O-N 2.82Å; L13-A16 PolarHBondContact O-N 3.08Å; I14-A16 VanDerWaalsContact C-N 3.32Å; I14-A16 PolarHBondContact O-N 3.25Å; A16-G19 PolarHBondContact O-N 2.92Å; A16-T20 WeakPolarHBondContact O-CB 3.43Å; A16-T20 PolarHBondContact O-N 3.02Å; A16-T20 PolarHBondContact O-OG1 2.94Å; A16-C61 VanDerWaalsContact CB-SG 3.54Å; A16-L64 HydrophobicContact CB-CD1 4.15Å
17I98.6Very high97.8Very high17 Ų1745.9 Ų45.99%0.08725%0.248CC..Hα-helixtrans-66.4-47.9178-70.7177.5000110.9L13 I14 G19 T20 F21 C61 L215L13-I17 HydrophobicContact CD1-CD1 3.74Å; L13-I17 HydrophobicContact CD1-CG1 4.05Å; L13-I17 HydrophobicContact CG-CD1 4.18Å; L13-I17 PolarHBondContact O-N 3.36Å; I14-I17 PolarHBondContact O-N 3.34Å; I17-G19 VanDerWaalsContact C-N 3.28Å; I17-G19 PolarHBondContact O-N 3.27Å; I17-T20 WeakPolarHBondContact O-CB 3.38Å; I17-T20 PolarHBondContact O-N 3.17Å; I17-T20 VanDerWaalsContact O-N 3.14Å; I17-F21 HydrophobicContact CG2-CD1 4.45Å; I17-F21 HydrophobicContact CG2-CD2 4Å; I17-F21 HydrophobicContact CG2-CE1 4.04Å; I17-F21 HydrophobicContact CG2-CE2 3.53Å; I17-F21 HydrophobicContact CG2-CG 4.44Å; I17-F21 HydrophobicContact CG2-CZ 3.57Å; I17-F21 WeakPolarHBondContact O-CG 2.81Å; I17-F21 PolarHBondContact O-N 2.95Å; I17-C61 HydrophobicContact CD1-CB 4.46Å; I17-C61 HydrophobicContact CG1-CB 3.75Å; I17-L215 HydrophobicContact CB-CD2 3.81Å; I17-L215 HydrophobicContact CD1-CD2 3.69Å; I17-L215 HydrophobicContact CG1-CD2 4.29Å; I17-L215 HydrophobicContact CG2-CD1 4.01Å; I17-L215 HydrophobicContact CG2-CD2 3.81Å; I17-L215 HydrophobicContact CG2-CG 4.3Å
18V98.5Very high97.7Very high69 Ų6944.3 Ų44.342%0.41824%0.241SC..Hα-helixtrans-59.8-42.5178.1172.50000110.6I14 S22 L215I14-V18 HydrophobicContact CG2-CG2 4.44Å; I14-V18 WeakPolarHBondContact O-CB 3.37Å; I14-V18 VanDerWaalsContact O-CG2 3.3Å; I14-V18 WeakPolarHBondContact O-CG2 3.45Å; I14-V18 PolarHBondContact O-N 3.22Å; V18-S22 VanDerWaalsContact O-CB 3.31Å; V18-S22 WeakPolarHBondContact O-CB 3.4Å; V18-S22 PolarHBondContact O-N 3.11Å; V18-S22 PolarHBondContact O-OG 2.92Å; V18-L215 HydrophobicContact CG2-CD1 3.94Å
19G98.3Very high97.5Very high25 Ų2539.3 Ų39.326%0.25822%0.223SC..Hα-helixtrans-61.6-45.5174.100000112.4L15 A16 I17 F21 S22 I23L15-G19 PolarHBondContact O-N 3.16Å; A16-G19 PolarHBondContact O-N 2.92Å; I17-G19 VanDerWaalsContact C-N 3.28Å; I17-G19 PolarHBondContact O-N 3.27Å; G19-F21 PolarHBondContact O-N 3.31Å; G19-S22 PolarHBondContact O-N 3.45Å; G19-I23 WeakPolarHBondContact O-CB 3.47Å; G19-I23 WeakPolarHBondContact O-CD1 3.34Å; G19-I23 WeakPolarHBondContact O-CG1 3.4Å; G19-I23 PolarHBondContact O-N 2.8Å
20T98.4Very high97.3Very high1 Ų141.1 Ų41.11%0.00624%0.242CC..Hα-helixtrans-56.4-53.6178.2-57.90000111.1A16 I17 S22 I23 S24 F54 L57 L58 C61A16-T20 WeakPolarHBondContact O-CB 3.43Å; A16-T20 PolarHBondContact O-N 3.02Å; A16-T20 PolarHBondContact O-OG1 2.94Å; I17-T20 WeakPolarHBondContact O-CB 3.38Å; I17-T20 PolarHBondContact O-N 3.17Å; I17-T20 VanDerWaalsContact O-N 3.14Å; T20-S22 PolarHBondContact O-N 2.93Å; T20-I23 PolarHBondContact O-N 3.29Å; T20-S24 WeakPolarHBondContact O-CB 3.49Å; T20-S24 PolarHBondContact O-N 2.99Å; T20-S24 PolarHBondContact O-OG 3.45Å; T20-S24 VanDerWaalsContact O-OG 3.1Å; T20-F54 HydrophobicContact CG2-CD2 3.68Å; T20-F54 HydrophobicContact CG2-CE2 3.96Å; T20-F54 HydrophobicContact CG2-CG 4.48Å; T20-L57 HydrophobicContact CG2-CB 3.86Å; T20-L57 VanDerWaalsContact OG1-CB 3.28Å; T20-L57 WeakPolarHBondContact OG1-CB 3.29Å; T20-L58 HydrophobicContact CG2-CB 4.25Å; T20-C61 PolarHBondContact OG1-SG 3.34Å
21F97.6Very high97.1Very high26 Ų2644.6 Ų44.611%0.11426%0.26CS..Hα-helixtrans-65.5-39-178.3-64.4-8.5000112.2I17 G19 S24 Y25 I41 F54 W208I17-F21 HydrophobicContact CG2-CD1 4.45Å; I17-F21 HydrophobicContact CG2-CD2 4Å; I17-F21 HydrophobicContact CG2-CE1 4.04Å; I17-F21 HydrophobicContact CG2-CE2 3.53Å; I17-F21 HydrophobicContact CG2-CG 4.44Å; I17-F21 HydrophobicContact CG2-CZ 3.57Å; I17-F21 WeakPolarHBondContact O-CG 2.81Å; I17-F21 PolarHBondContact O-N 2.95Å; G19-F21 PolarHBondContact O-N 3.31Å; F21-S24 PolarHBondContact O-OG 3.5Å; F21-Y25 WeakPolarHBondContact O-CB 3.43Å; F21-Y25 PolarHBondContact O-N 3.24Å; F21-I41 HydrophobicContact CD1-CG2 3.61Å; F21-I41 HydrophobicContact CD2-CD1 4.18Å; F21-I41 HydrophobicContact CE1-CD1 4.49Å; F21-I41 HydrophobicContact CE1-CG2 3.5Å; F21-I41 HydrophobicContact CE2-CD1 3.74Å; F21-I41 HydrophobicContact CG-CG2 4.2Å; F21-I41 HydrophobicContact CZ-CD1 3.91Å; F21-I41 HydrophobicContact CZ-CG2 3.98Å; F21-F54 HydrophobicContact CD1-CE2 4.22Å; F21-F54 HydrophobicContact CE1-CE2 4.38Å; F21-W208 HydrophobicContact CB-CH2 4.13Å; F21-W208 HydrophobicContact CB-CZ3 4.06Å; F21-W208 AromaticContact CD2-CZ3 4Å; F21-W208 HydrophobicContact CD2-CZ3 4Å; F21-W208 HydrophobicContact CG-CZ3 4.36Å
22S97.1Very high96.7Very high61 Ų6148.1 Ų48.143%0.42728%0.275SS..Hα-helixtrans-67.8-44.8179.8-56.30000111.3V18 G19 T20 L26V18-S22 VanDerWaalsContact O-CB 3.31Å; V18-S22 WeakPolarHBondContact O-CB 3.4Å; V18-S22 PolarHBondContact O-N 3.11Å; V18-S22 PolarHBondContact O-OG 2.92Å; G19-S22 PolarHBondContact O-N 3.45Å; T20-S22 PolarHBondContact O-N 2.93Å; S22-L26 WeakPolarHBondContact O-CB 3.42Å; S22-L26 WeakPolarHBondContact O-CG 3.43Å; S22-L26 PolarHBondContact O-N 2.84Å
23I97.8Very high96.2Very high72 Ų7249.1 Ų49.137%0.36927%0.272SS..Hα-helixtrans-67.2-47.2-178.9-68.1165.8000110.6G19 T20 Y25 L26 I27 V53 L57G19-I23 WeakPolarHBondContact O-CB 3.47Å; G19-I23 WeakPolarHBondContact O-CD1 3.34Å; G19-I23 WeakPolarHBondContact O-CG1 3.4Å; G19-I23 PolarHBondContact O-N 2.8Å; T20-I23 PolarHBondContact O-N 3.29Å; I23-Y25 PolarHBondContact O-N 2.74Å; I23-L26 PolarHBondContact O-N 2.95Å; I23-I27 HydrophobicContact CG2-CD1 3.79Å; I23-I27 WeakPolarHBondContact O-CG1 3.3Å; I23-I27 PolarHBondContact O-N 2.89Å; I23-V53 HydrophobicContact CG2-CG1 3.8Å; I23-L57 HydrophobicContact CD1-CD1 4.01Å
24S96.8Very high95.5Very high1 Ų149.4 Ų49.41%0.00727%0.274CS..Hα-helixtrans-63.8-41.7179.968.90000111.8T20 F21 I27 S28 T44T20-S24 WeakPolarHBondContact O-CB 3.49Å; T20-S24 PolarHBondContact O-N 2.99Å; T20-S24 PolarHBondContact O-OG 3.45Å; T20-S24 VanDerWaalsContact O-OG 3.1Å; F21-S24 PolarHBondContact O-OG 3.5Å; S24-I27 PolarHBondContact O-N 3.39Å; S24-S28 VanDerWaalsContact O-CB 3.31Å; S24-S28 WeakPolarHBondContact O-CB 3.32Å; S24-S28 PolarHBondContact O-N 3.31Å; S24-S28 PolarHBondContact O-OG 3.11Å; S24-T44 CarbonylContact C-O 3.56Å; S24-T44 VanDerWaalsContact CB-O 3.3Å; S24-T44 WeakPolarHBondContact CB-O 3.33Å; S24-T44 PolarHBondContact OG-OG1 3.27Å
25Y96.2Very high94.7Very high64 Ų6448.8 Ų48.825%0.25127%0.273SS..Hα-helixtrans-60.2-46.1173.7177.2-90.2000112.2F21 I23 I27 S28 T29 V36 P39 T44F21-Y25 WeakPolarHBondContact O-CB 3.43Å; F21-Y25 PolarHBondContact O-N 3.24Å; I23-Y25 PolarHBondContact O-N 2.74Å; Y25-I27 PolarHBondContact O-N 2.66Å; Y25-S28 WeakPolarHBondContact CA-OG 3.25Å; Y25-S28 PolarHBondContact O-OG 2.92Å; Y25-S28 VanDerWaalsContact O-OG 3.11Å; Y25-T29 HydrophobicContact CD1-CG2 4.45Å; Y25-T29 HydrophobicContact CD2-CG2 4.13Å; Y25-T29 HydrophobicContact CE1-CG2 4.12Å; Y25-T29 HydrophobicContact CE2-CG2 3.78Å; Y25-T29 HydrophobicContact CG-CG2 4.45Å; Y25-T29 WeakPolarHBondContact O-CB 3.45Å; Y25-T29 WeakPolarHBondContact O-CG2 3.27Å; Y25-T29 PolarHBondContact O-N 2.88Å; Y25-T29 PolarHBondContact O-OG1 3.22Å; Y25-V36 PolarHBondContact OH-O 3.33Å; Y25-P39 HydrophobicContact CD2-CG 4.03Å; Y25-P39 HydrophobicContact CE2-CG 3.96Å; Y25-T44 HydrophobicContact CD2-CG2 4.06Å
26L96.7Very high93.8Very high105 Ų10547.6 Ų47.655%0.5527%0.271SS..Hα-helixtrans-64.1-42.7-179.6-74.1171.4000112.3S22 I23 T29 S30S22-L26 WeakPolarHBondContact O-CB 3.42Å; S22-L26 WeakPolarHBondContact O-CG 3.43Å; S22-L26 PolarHBondContact O-N 2.84Å; I23-L26 PolarHBondContact O-N 2.95Å; L26-T29 PolarHBondContact O-OG1 3.27Å; L26-S30 VanDerWaalsContact O-CB 3.24Å; L26-S30 WeakPolarHBondContact O-CB 3.39Å; L26-S30 PolarHBondContact O-N 2.69Å; L26-S30 VanDerWaalsContact O-N 3.09Å; L26-S30 PolarHBondContact O-OG 3.46Å
27I96.6Very high93Very high45 Ų4552.1 Ų52.123%0.23129%0.29CS..Hα-helixtrans-66.4-54.4178.1-61.8167.1000109.8I23 S24 Y25 T29 S30 D31 P49 E50 V53I23-I27 HydrophobicContact CG2-CD1 3.79Å; I23-I27 WeakPolarHBondContact O-CG1 3.3Å; I23-I27 PolarHBondContact O-N 2.89Å; S24-I27 PolarHBondContact O-N 3.39Å; Y25-I27 PolarHBondContact O-N 2.66Å; I27-T29 VanDerWaalsContact C-N 3.29Å; I27-T29 PolarHBondContact O-N 3.19Å; I27-S30 PolarHBondContact O-N 2.88Å; I27-S30 VanDerWaalsContact O-N 3.12Å; I27-D31 PolarHBondContact O-N 2.96Å; I27-P49 HydrophobicContact CG2-CG 3.98Å; I27-E50 HydrophobicContact CB-CB 3.9Å; I27-E50 HydrophobicContact CG2-CB 3.68Å; I27-V53 HydrophobicContact CD1-CB 4.42Å; I27-V53 HydrophobicContact CD1-CG1 4.42Å; I27-V53 HydrophobicContact CD1-CG2 4.29Å
28S94.9Very high92.2Very high0 Ų056 Ų560%031%0.306CS..Hα-helixtrans-60.5-34.1-176.9580000113.7S24 Y25 H32 H33 A34 T44S24-S28 VanDerWaalsContact O-CB 3.31Å; S24-S28 WeakPolarHBondContact O-CB 3.32Å; S24-S28 PolarHBondContact O-N 3.31Å; S24-S28 PolarHBondContact O-OG 3.11Å; Y25-S28 WeakPolarHBondContact CA-OG 3.25Å; Y25-S28 PolarHBondContact O-OG 2.92Å; Y25-S28 VanDerWaalsContact O-OG 3.11Å; S28-H32 PolarHBondContact O-N 2.59Å; S28-H33 PolarHBondContact O-N 3.45Å; S28-A34 PolarHBondContact O-N 3.09Å; S28-A34 VanDerWaalsContact O-N 3.17Å; S28-T44 WeakPolarHBondContact OG-CA 3.39Å; S28-T44 WeakPolarHBondContact OG-CB 3.33Å
29T93Very high91.9Very high20 Ų2052.7 Ų52.712%0.12329%0.287CS..Hα-helixtrans-79.2-33.5176.754.10000112.6Y25 L26 I27 H32 V36Y25-T29 HydrophobicContact CD1-CG2 4.45Å; Y25-T29 HydrophobicContact CD2-CG2 4.13Å; Y25-T29 HydrophobicContact CE1-CG2 4.12Å; Y25-T29 HydrophobicContact CE2-CG2 3.78Å; Y25-T29 HydrophobicContact CG-CG2 4.45Å; Y25-T29 WeakPolarHBondContact O-CB 3.45Å; Y25-T29 WeakPolarHBondContact O-CG2 3.27Å; Y25-T29 PolarHBondContact O-N 2.88Å; Y25-T29 PolarHBondContact O-OG1 3.22Å; L26-T29 PolarHBondContact O-OG1 3.27Å; I27-T29 VanDerWaalsContact C-N 3.29Å; I27-T29 PolarHBondContact O-N 3.19Å; T29-H32 PolarHBondContact O-N 3.17Å; T29-V36 HydrophobicContact CG2-CG2 4.37Å
30S94.1Very high91.6Very high82 Ų8253.3 Ų53.357%0.57328%0.281SS*.Hα-helixtrans-66.4-40.1174.9-60.70000111.9L26 I27 H32L26-S30 VanDerWaalsContact O-CB 3.24Å; L26-S30 WeakPolarHBondContact O-CB 3.39Å; L26-S30 PolarHBondContact O-N 2.69Å; L26-S30 VanDerWaalsContact O-N 3.09Å; L26-S30 PolarHBondContact O-OG 3.46Å; I27-S30 PolarHBondContact O-N 2.88Å; I27-S30 VanDerWaalsContact O-N 3.12Å; S30-H32 PolarHBondContact O-N 2.87Å
31D93Very high91.5Very high73 Ų7353.5 Ų53.539%0.3928%0.282SS..THydrogen-bonded Turntrans-843.5178-68.6-11.9000112.5I27 H33 P49I27-D31 PolarHBondContact O-N 2.96Å; D31-H33 PolarHBondContact O-CD2 3.47Å; D31-H33 PolarHBondContact O-N 3.3Å; D31-P49 WeakPolarHBondContact OD2-CD 3.48Å
32H89.7Confident91.3Very high137 Ų13752.8 Ų52.863%0.63428%0.281SS*.THydrogen-bonded Turntrans53.240.2-175.9-50.1-60.5000112.1S28 T29 S30 K189S28-H32 PolarHBondContact O-N 2.59Å; T29-H32 PolarHBondContact O-N 3.17Å; S30-H32 PolarHBondContact O-N 2.87Å; H32-K189 WeakPolarHBondContact O-CE 3.5Å; H32-K189 PolarHBondContact O-NZ 2.86Å
33H88.2Confident91.1Very high48 Ų4850.2 Ų50.222%0.22226%0.262CS..  trans-86.2-42.8171.7-63.1160.2000111S28 D31 L47 P48 E50 K189S28-H33 PolarHBondContact O-N 3.45Å; D31-H33 PolarHBondContact O-CD2 3.47Å; D31-H33 PolarHBondContact O-N 3.3Å; H33-L47 HydrophobicContact CB-CD1 4.17Å; H33-P48 PolarHBondContact CE1-O 2.97Å; H33-E50 VanDerWaalsContact CB-OE1 3.31Å; H33-E50 WeakPolarHBondContact CB-OE1 3.5Å; H33-E50 IonicContact CE1-OE1 3.67Å; H33-E50 IonicContact CE1-OE2 3.58Å; H33-E50 IonicContact CG-OE1 2.69Å; H33-E50 VanDerWaalsContact ND1-CD 3.27Å; H33-E50 IonicContact ND1-OE1 3.09Å; H33-E50 PolarHBondContact ND1-OE1 3.06Å; H33-E50 IonicContact ND1-OE2 2.93Å; H33-E50 PolarHBondContact ND1-OE2 2.93Å; H33-E50 VanDerWaalsContact ND1-OE2 3.09Å; H33-K189 VanDerWaalsContact O-CE 3.3Å; H33-K189 WeakPolarHBondContact O-CE 3.33Å
34A84.9Confident91Very high6 Ų646.8 Ų46.85%0.0524%0.244CC..SBendtrans-105.4158-179.600000113.1S28 P39 D43S28-A34 PolarHBondContact O-N 3.09Å; S28-A34 VanDerWaalsContact O-N 3.17Å; A34-P39 HydrophobicContact CB-CB 4.17Å; A34-D43 HydrophobicContact CB-CB 4.42Å
35S81.3Confident90.9Very high26 Ų2646.9 Ų46.918%0.18225%0.245CC..  trans-63.1141.6167.1-65.40000110.3P39S35-P39 WeakPolarHBondContact O-CB 3.43Å; S35-P39 VanDerWaalsContact O-CD 3.31Å; S35-P39 WeakPolarHBondContact O-CD 3Å; S35-P39 VanDerWaalsContact O-CG 3.27Å; S35-P39 WeakPolarHBondContact O-CG 3.41Å
36V78.7Confident90.8Very high94 Ų9444 Ų4457%0.5723%0.234SC*.SBendtrans-72.9-36.2176.8-1790000111.1Y25 T29Y25-V36 PolarHBondContact OH-O 3.33Å; T29-V36 HydrophobicContact CG2-CG2 4.37Å
37I83.1Confident90.6Very high123 Ų12341.6 Ų41.663%0.63122%0.222SC*.SBendtrans-95.5109.5-175.5-58.2176.7000109.1
38F81.3Confident90.6Very high97 Ų9743.5 Ų43.543%0.42524%0.238SC..SBendtrans44.658.7175.4-72-73.8000114.7V201 S204 F205F38-V201 HydrophobicContact CB-CG1 4.34Å; F38-S204 WeakPolarHBondContact O-CB 3.24Å; F38-S204 PolarHBondContact O-OG 3.38Å; F38-F205 HydrophobicContact CD1-CD2 4.47Å; F38-F205 AromaticContact CE1-CD2 3.96Å; F38-F205 HydrophobicContact CE1-CD2 3.96Å; F38-F205 HydrophobicContact CZ-CD2 4.24Å
39P91.2Very high90.7Very high1 Ų146.8 Ų46.81%0.00626%0.259CS..  trans-63.5159.6165.532.6-35.5000109.7Y25 A34 S35 D43 T44 W208Y25-P39 HydrophobicContact CD2-CG 4.03Å; Y25-P39 HydrophobicContact CE2-CG 3.96Å; A34-P39 HydrophobicContact CB-CB 4.17Å; S35-P39 WeakPolarHBondContact O-CB 3.43Å; S35-P39 VanDerWaalsContact O-CD 3.31Å; S35-P39 WeakPolarHBondContact O-CD 3Å; S35-P39 VanDerWaalsContact O-CG 3.27Å; S35-P39 WeakPolarHBondContact O-CG 3.41Å; P39-D43 HydrophobicContact CB-CB 4.1Å; P39-T44 HydrophobicContact CB-CG2 4.35Å; P39-T44 HydrophobicContact CG-CG2 3.84Å; P39-W208 PolarHBondContact O-NE1 3.41Å
40Y93.4Very high90.8Very high38 Ų3845.8 Ų45.815%0.14925%0.253CS..  trans-59.1149.5160.6-70.5-75000109.2S42 D43 T44 H200 S203 S204 E207Y40-S42 WeakPolarHBondContact CB-OG 3.41Å; Y40-S42 PolarHBondContact O-N 2.91Å; Y40-D43 WeakPolarHBondContact CB-OD2 3.38Å; Y40-D43 PolarHBondContact N-OD2 3.33Å; Y40-D43 WeakPolarHBondContact O-CB 3.25Å; Y40-D43 PolarHBondContact O-N 3.33Å; Y40-D43 VanDerWaalsContact O-N 3.16Å; Y40-T44 PolarHBondContact O-N 3.46Å; Y40-H200 AromaticContact CD2-CE1 3.51Å; Y40-H200 AromaticContact CD2-ND1 3.97Å; Y40-H200 AromaticContact CE2-CE1 3.35Å; Y40-H200 WeakPolarHBondContact CE2-CE1 3.36Å; Y40-H200 AromaticContact CE2-ND1 3.3Å; Y40-H200 VanDerWaalsContact CE2-ND1 3.3Å; Y40-H200 WeakPolarHBondContact CE2-ND1 3.48Å; Y40-S203 WeakPolarHBondContact CE1-OG 3.44Å; Y40-S203 WeakPolarHBondContact OH-CB 3.31Å; Y40-S203 PolarHBondContact OH-OG 3.21Å; Y40-S204 WeakPolarHBondContact CD1-OG 3.26Å; Y40-S204 WeakPolarHBondContact CD2-OG 3.35Å; Y40-S204 PolarHBondContact N-OG 3.33Å; Y40-E207 VanDerWaalsContact CA-OE2 3.24Å; Y40-E207 WeakPolarHBondContact CA-OE2 3.38Å; Y40-E207 WeakPolarHBondContact CB-OE2 3.38Å; Y40-E207 HydrophobicContact CD1-CB 4.29Å; Y40-E207 VanDerWaalsContact CD1-OE2 3.3Å; Y40-E207 WeakPolarHBondContact CD1-OE2 3.48Å
41I95.7Very high90.9Very high5 Ų542.2 Ų42.23%0.02623%0.227CC..THydrogen-bonded Turntrans-58-40172.3-63170.9000108.9F21 D43 T44 F54 E207 W208 S211F21-I41 HydrophobicContact CD1-CG2 3.61Å; F21-I41 HydrophobicContact CD2-CD1 4.18Å; F21-I41 HydrophobicContact CE1-CD1 4.49Å; F21-I41 HydrophobicContact CE1-CG2 3.5Å; F21-I41 HydrophobicContact CE2-CD1 3.74Å; F21-I41 HydrophobicContact CG-CG2 4.2Å; F21-I41 HydrophobicContact CZ-CD1 3.91Å; F21-I41 HydrophobicContact CZ-CG2 3.98Å; I41-D43 VanDerWaalsContact C-N 3.34Å; I41-D43 PolarHBondContact O-N 2.87Å; I41-T44 WeakPolarHBondContact O-CB 3.47Å; I41-T44 PolarHBondContact O-N 3.41Å; I41-T44 VanDerWaalsContact O-N 3.15Å; I41-T44 PolarHBondContact O-OG1 3.43Å; I41-F54 HydrophobicContact CG2-CE2 4.05Å; I41-F54 HydrophobicContact CG2-CZ 4.19Å; I41-E207 HydrophobicContact CD1-CG 4.19Å; I41-E207 PolarHBondContact N-OE2 2.9Å; I41-W208 HydrophobicContact CD1-CD2 4.01Å; I41-W208 HydrophobicContact CD1-CE3 4.05Å; I41-W208 HydrophobicContact CD1-CG 4.41Å; I41-W208 HydrophobicContact CD1-CZ3 4.43Å; I41-W208 HydrophobicContact CG1-CD2 3.7Å; I41-W208 HydrophobicContact CG1-CE3 4.03Å; I41-W208 HydrophobicContact CG1-CG 4.25Å; I41-W208 HydrophobicContact CG1-CH2 4.04Å; I41-W208 HydrophobicContact CG1-CZ2 3.7Å; I41-W208 HydrophobicContact CG1-CZ3 4.19Å; I41-S211 WeakPolarHBondContact CD1-OG 3.31Å
42S93.9Very high91.1Very high11 Ų1142.7 Ų42.78%0.07724%0.236CC..THydrogen-bonded Turntrans-61.7-36.4176.258.70000113.5Y40 T44 G45 A46 E115 H122Y40-S42 WeakPolarHBondContact CB-OG 3.41Å; Y40-S42 PolarHBondContact O-N 2.91Å; S42-T44 PolarHBondContact O-N 2.87Å; S42-G45 CarbonylContact O-C 3.53Å; S42-G45 PolarHBondContact O-N 3.01Å; S42-A46 PolarHBondContact O-N 3.42Å; S42-E115 VanDerWaalsContact CB-OE2 3.27Å; S42-E115 WeakPolarHBondContact CB-OE2 3.35Å; S42-E115 PolarHBondContact OG-OE2 2.97Å; S42-H122 WeakPolarHBondContact CB-NE2 3.47Å
43D93.2Very high91.5Very high7 Ų738.7 Ų38.74%0.03722%0.221CC..G310 helixtrans-58.2-37.1175.4-66.7-38.8000110.6A34 P39 Y40 I41 G45 A46 E115 P187A34-D43 HydrophobicContact CB-CB 4.42Å; P39-D43 HydrophobicContact CB-CB 4.1Å; Y40-D43 WeakPolarHBondContact CB-OD2 3.38Å; Y40-D43 PolarHBondContact N-OD2 3.33Å; Y40-D43 WeakPolarHBondContact O-CB 3.25Å; Y40-D43 PolarHBondContact O-N 3.33Å; Y40-D43 VanDerWaalsContact O-N 3.16Å; I41-D43 VanDerWaalsContact C-N 3.34Å; I41-D43 PolarHBondContact O-N 2.87Å; D43-G45 PolarHBondContact O-N 3.47Å; D43-A46 WeakPolarHBondContact O-CB 3.39Å; D43-A46 PolarHBondContact O-N 2.98Å; D43-E115 VanDerWaalsContact OD1-OE1 3.11Å; D43-P187 HydrophobicContact CB-CB 3.84Å; D43-P187 WeakPolarHBondContact OD1-CB 3.32Å
44T94.3Very high92Very high0 Ų036.8 Ų36.80%021%0.212CC..G310 helixtrans-72.4-8.2-179.677.30000114.1S24 Y25 S28 P39 Y40 I41 S42 E50S24-T44 CarbonylContact C-O 3.56Å; S24-T44 VanDerWaalsContact CB-O 3.3Å; S24-T44 WeakPolarHBondContact CB-O 3.33Å; S24-T44 PolarHBondContact OG-OG1 3.27Å; Y25-T44 HydrophobicContact CD2-CG2 4.06Å; S28-T44 WeakPolarHBondContact OG-CA 3.39Å; S28-T44 WeakPolarHBondContact OG-CB 3.33Å; P39-T44 HydrophobicContact CB-CG2 4.35Å; P39-T44 HydrophobicContact CG-CG2 3.84Å; Y40-T44 PolarHBondContact O-N 3.46Å; I41-T44 WeakPolarHBondContact O-CB 3.47Å; I41-T44 PolarHBondContact O-N 3.41Å; I41-T44 VanDerWaalsContact O-N 3.15Å; I41-T44 PolarHBondContact O-OG1 3.43Å; S42-T44 PolarHBondContact O-N 2.87Å; T44-E50 WeakPolarHBondContact O-CG 3.36Å
45G94.8Very high92.6Very high2 Ų236.8 Ų36.82%0.02121%0.212CC..G310 helixtrans-122.818.5178.600000113S42 D43 S51 Q114S42-G45 CarbonylContact O-C 3.53Å; S42-G45 PolarHBondContact O-N 3.01Å; D43-G45 PolarHBondContact O-N 3.47Å; G45-S51 VanDerWaalsContact O-CA 3.26Å; G45-S51 WeakPolarHBondContact O-CA 3.45Å; G45-S51 WeakPolarHBondContact O-CB 3.39Å; G45-Q114 WeakPolarHBondContact O-CG 3.47Å
46A93.9Very high93.4Very high3 Ų341.2 Ų41.23%0.02523%0.23CC..SBendtrans-86.2-38.9-168.800000114.2S42 D43 E115 A116 P187S42-A46 PolarHBondContact O-N 3.42Å; D43-A46 WeakPolarHBondContact O-CB 3.39Å; D43-A46 PolarHBondContact O-N 2.98Å; A46-E115 HydrophobicContact CB-CG 4.14Å; A46-A116 HydrophobicContact CB-CB 4.23Å; A46-P187 HydrophobicContact CB-CB 4.1Å; A46-P187 HydrophobicContact CB-CG 3.92Å
47L94.4Very high94.3Very high55 Ų5539.1 Ų39.129%0.28822%0.215SC..SBendtrans-115.4155.2-175.3-59.7179.9000112.3H33 E50 S51 A116 P187H33-L47 HydrophobicContact CB-CD1 4.17Å; L47-E50 WeakPolarHBondContact O-CG 3.41Å; L47-E50 PolarHBondContact O-N 3.17Å; L47-E50 VanDerWaalsContact O-OE2 3.05Å; L47-S51 VanDerWaalsContact C-OG 3.25Å; L47-S51 VanDerWaalsContact O-CB 3.24Å; L47-S51 WeakPolarHBondContact O-CB 3.32Å; L47-S51 PolarHBondContact O-N 3Å; L47-S51 PolarHBondContact O-OG 3.31Å; L47-A116 HydrophobicContact CD2-CB 4.18Å; L47-P187 HydrophobicContact CD1-CG 4.43Å; L47-P187 HydrophobicContact CG-CG 4.45Å
48P96Very high95.1Very high86 Ų8633.7 Ų33.756%0.55819%0.188SC*.THydrogen-bonded Turntrans-69.7147.4169.8-20.133.5000111.9H33H33-P48 PolarHBondContact CE1-O 2.97Å
49P96.2Very high95.9Very high68 Ų6831 Ų3144%0.44218%0.178SC..THydrogen-bonded Turncis-85.8-14.36.233.9-34.6000114.6I27 D31 S51 C52 V53I27-P49 HydrophobicContact CG2-CG 3.98Å; D31-P49 WeakPolarHBondContact OD2-CD 3.48Å; P49-S51 VanDerWaalsContact C-N 3.28Å; P49-S51 PolarHBondContact O-N 3.3Å; P49-C52 WeakPolarHBondContact O-CB 3.48Å; P49-C52 PolarHBondContact O-N 3.12Å; P49-V53 PolarHBondContact O-N 3.5Å
50E95.1Very high96.2Very high0 Ų034.5 Ų34.50%020%0.196CC..Hα-helixtrans-62.2-32.7-175.165.3-84.7-161.500113.2I27 H33 T44 L47 C52 V53 F54I27-E50 HydrophobicContact CB-CB 3.9Å; I27-E50 HydrophobicContact CG2-CB 3.68Å; H33-E50 VanDerWaalsContact CB-OE1 3.31Å; H33-E50 WeakPolarHBondContact CB-OE1 3.5Å; H33-E50 IonicContact CE1-OE1 3.67Å; H33-E50 IonicContact CE1-OE2 3.58Å; H33-E50 IonicContact CG-OE1 2.69Å; H33-E50 VanDerWaalsContact ND1-CD 3.27Å; H33-E50 IonicContact ND1-OE1 3.09Å; H33-E50 PolarHBondContact ND1-OE1 3.06Å; H33-E50 IonicContact ND1-OE2 2.93Å; H33-E50 PolarHBondContact ND1-OE2 2.93Å; H33-E50 VanDerWaalsContact ND1-OE2 3.09Å; T44-E50 WeakPolarHBondContact O-CG 3.36Å; L47-E50 WeakPolarHBondContact O-CG 3.41Å; L47-E50 PolarHBondContact O-N 3.17Å; L47-E50 VanDerWaalsContact O-OE2 3.05Å; E50-C52 VanDerWaalsContact C-N 3.3Å; E50-C52 PolarHBondContact O-N 2.85Å; E50-V53 PolarHBondContact O-N 3.35Å; E50-F54 WeakPolarHBondContact O-CB 3.17Å; E50-F54 PolarHBondContact O-N 3.17Å
51S96.5Very high96.5Very high6 Ų632.7 Ų32.74%0.04219%0.188CC..Hα-helixtrans-64.6-35.3179.866.60000112.5G45 L47 P49 G55G45-S51 VanDerWaalsContact O-CA 3.26Å; G45-S51 WeakPolarHBondContact O-CA 3.45Å; G45-S51 WeakPolarHBondContact O-CB 3.39Å; L47-S51 VanDerWaalsContact C-OG 3.25Å; L47-S51 VanDerWaalsContact O-CB 3.24Å; L47-S51 WeakPolarHBondContact O-CB 3.32Å; L47-S51 PolarHBondContact O-N 3Å; L47-S51 PolarHBondContact O-OG 3.31Å; P49-S51 VanDerWaalsContact C-N 3.28Å; P49-S51 PolarHBondContact O-N 3.3Å; S51-G55 PolarHBondContact O-N 2.99Å
52C97.8Very high96.6Very high84 Ų8433 Ų3357%0.56819%0.192SC*.Hα-helixtrans-67.8-44.7174.7-620000110.8P49 E50 Q56P49-C52 WeakPolarHBondContact O-CB 3.48Å; P49-C52 PolarHBondContact O-N 3.12Å; E50-C52 VanDerWaalsContact C-N 3.3Å; E50-C52 PolarHBondContact O-N 2.85Å; C52-Q56 WeakPolarHBondContact O-CB 3.36Å; C52-Q56 PolarHBondContact O-N 3.31Å
53V97.8Very high96.9Very high52 Ų5239 Ų3932%0.31522%0.216SC..Hα-helixtrans-68.7-48.2-179.5178.80000110.7I23 I27 P49 E50 Q56 L57I23-V53 HydrophobicContact CG2-CG1 3.8Å; I27-V53 HydrophobicContact CD1-CB 4.42Å; I27-V53 HydrophobicContact CD1-CG1 4.42Å; I27-V53 HydrophobicContact CD1-CG2 4.29Å; P49-V53 PolarHBondContact O-N 3.5Å; E50-V53 PolarHBondContact O-N 3.35Å; V53-Q56 PolarHBondContact O-N 3.32Å; V53-L57 HydrophobicContact CG1-CD1 3.85Å; V53-L57 HydrophobicContact CG1-CG 4.38Å; V53-L57 WeakPolarHBondContact O-CB 3.46Å; V53-L57 WeakPolarHBondContact O-CG 3.24Å; V53-L57 PolarHBondContact O-N 3.36Å
54F97.6Very high97.1Very high8 Ų840.1 Ų40.14%0.03522%0.222CC..Hα-helixtrans-58.7-48.1176-178.6-97.5000110.8T20 F21 I41 E50 Q56 L57 L58T20-F54 HydrophobicContact CG2-CD2 3.68Å; T20-F54 HydrophobicContact CG2-CE2 3.96Å; T20-F54 HydrophobicContact CG2-CG 4.48Å; F21-F54 HydrophobicContact CD1-CE2 4.22Å; F21-F54 HydrophobicContact CE1-CE2 4.38Å; I41-F54 HydrophobicContact CG2-CE2 4.05Å; I41-F54 HydrophobicContact CG2-CZ 4.19Å; E50-F54 WeakPolarHBondContact O-CB 3.17Å; E50-F54 PolarHBondContact O-N 3.17Å; F54-Q56 PolarHBondContact O-N 2.9Å; F54-L57 PolarHBondContact O-N 3.18Å; F54-L58 HydrophobicContact CD1-CD2 4.42Å; F54-L58 HydrophobicContact CE1-CB 4.5Å; F54-L58 HydrophobicContact CE1-CD2 3.56Å; F54-L58 HydrophobicContact CZ-CD2 3.64Å; F54-L58 WeakPolarHBondContact O-CB 3.15Å; F54-L58 PolarHBondContact O-N 2.98Å
55G97.9Very high97.3Very high6 Ų640.1 Ų40.16%0.06222%0.222CC..Hα-helixtrans-58.7-46.2177.500000112.5S51 N59 A111S51-G55 PolarHBondContact O-N 2.99Å; G55-N59 WeakPolarHBondContact O-CB 3.48Å; G55-N59 PolarHBondContact O-N 3.31Å; G55-N59 VanDerWaalsContact O-N 3.08Å; G55-N59 PolarHBondContact O-ND2 3.25Å; G55-A111 VanDerWaalsContact CA-O 3.24Å; G55-A111 WeakPolarHBondContact CA-O 3.49Å
56Q98.4Very high97.5Very high120 Ų12044.6 Ų44.656%0.56124%0.241SC*.Hα-helixtrans-63.1-48.5178.1-179.658.647.400112.2C52 V53 F54 I60C52-Q56 WeakPolarHBondContact O-CB 3.36Å; C52-Q56 PolarHBondContact O-N 3.31Å; V53-Q56 PolarHBondContact O-N 3.32Å; F54-Q56 PolarHBondContact O-N 2.9Å; Q56-I60 WeakPolarHBondContact O-CG1 3.45Å; Q56-I60 PolarHBondContact O-N 3.41Å
57L98.5Very high97.7Very high49 Ų4945.7 Ų45.726%0.25725%0.247SC..Hα-helixtrans-70.6-39-177.2-66176.8000112.1T20 I23 V53 F54 I60 C61T20-L57 HydrophobicContact CG2-CB 3.86Å; T20-L57 VanDerWaalsContact OG1-CB 3.28Å; T20-L57 WeakPolarHBondContact OG1-CB 3.29Å; I23-L57 HydrophobicContact CD1-CD1 4.01Å; V53-L57 HydrophobicContact CG1-CD1 3.85Å; V53-L57 HydrophobicContact CG1-CG 4.38Å; V53-L57 WeakPolarHBondContact O-CB 3.46Å; V53-L57 WeakPolarHBondContact O-CG 3.24Å; V53-L57 PolarHBondContact O-N 3.36Å; F54-L57 PolarHBondContact O-N 3.18Å; L57-I60 WeakPolarHBondContact O-CB 3.3Å; L57-I60 PolarHBondContact O-N 2.99Å; L57-C61 PolarHBondContact O-N 3.15Å; L57-C61 PolarHBondContact O-SG 3.16Å
58L98.4Very high97.9Very high10 Ų1043 Ų435%0.05223%0.234CC..Hα-helixtrans-70.7-31.4179.1-166.667.5000112T20 F54 C61 S62 V110 A111T20-L58 HydrophobicContact CG2-CB 4.25Å; F54-L58 HydrophobicContact CD1-CD2 4.42Å; F54-L58 HydrophobicContact CE1-CB 4.5Å; F54-L58 HydrophobicContact CE1-CD2 3.56Å; F54-L58 HydrophobicContact CZ-CD2 3.64Å; F54-L58 WeakPolarHBondContact O-CB 3.15Å; F54-L58 PolarHBondContact O-N 2.98Å; L58-C61 HydrophobicContact CD1-CB 4.29Å; L58-C61 WeakPolarHBondContact O-CB 3.11Å; L58-C61 PolarHBondContact O-N 3.32Å; L58-S62 WeakPolarHBondContact O-CB 3.47Å; L58-S62 PolarHBondContact O-N 2.93Å; L58-V110 HydrophobicContact CD2-CB 4.43Å; L58-V110 HydrophobicContact CD2-CG1 4.07Å; L58-A111 HydrophobicContact CB-CB 3.79Å; L58-A111 HydrophobicContact CD2-CB 3.88Å; L58-A111 HydrophobicContact CG-CB 4.05Å
59N98.7Very high98Very high40 Ų4039.1 Ų39.121%0.21421%0.208CC..Hα-helixtrans-63.9-38.8169.1-83.2-59.1000112.2G55 C61 S62 F63 S108 N112G55-N59 WeakPolarHBondContact O-CB 3.48Å; G55-N59 PolarHBondContact O-N 3.31Å; G55-N59 VanDerWaalsContact O-N 3.08Å; G55-N59 PolarHBondContact O-ND2 3.25Å; N59-C61 VanDerWaalsContact C-N 3.34Å; N59-S62 WeakPolarHBondContact O-CB 3Å; N59-S62 PolarHBondContact O-N 3.44Å; N59-F63 PolarHBondContact O-N 3.33Å; N59-S108 PolarHBondContact OD1-OG 3.06Å; N59-N112 PolarHBondContact ND2-ND2 2.81Å; N59-N112 VanDerWaalsContact ND2-ND2 3.17Å; N59-N112 PolarHBondContact ND2-OD1 2.91Å; N59-N112 VanDerWaalsContact ND2-OD1 3.14Å; N59-N112 PolarHBondContact OD1-ND2 3.29Å
60I98.6Very high98.1Very high74 Ų7441 Ų4138%0.37921%0.207SC..Hα-helixtrans-62.8-43.5172.6-66.1166000110.1Q56 L57 S62 F63 L64Q56-I60 WeakPolarHBondContact O-CG1 3.45Å; Q56-I60 PolarHBondContact O-N 3.41Å; L57-I60 WeakPolarHBondContact O-CB 3.3Å; L57-I60 PolarHBondContact O-N 2.99Å; I60-S62 VanDerWaalsContact C-N 3.35Å; I60-S62 PolarHBondContact O-N 3.34Å; I60-F63 PolarHBondContact O-N 3.04Å; I60-L64 HydrophobicContact CG2-CD1 4.09Å; I60-L64 HydrophobicContact CG2-CG 4.5Å; I60-L64 WeakPolarHBondContact O-CG 3.25Å; I60-L64 PolarHBondContact O-N 2.99Å
61C98.8Very high98.2Very high0 Ų041.8 Ų41.80%021%0.212CC..Hα-helixtrans-61.7-41.3175.3-62.40000112.3L13 A16 I17 T20 L57 L58 N59 L64 S65L13-C61 HydrophobicContact CD1-CB 4.21Å; L13-C61 VanDerWaalsContact CD1-O 3.27Å; L13-C61 WeakPolarHBondContact CD1-O 3.43Å; A16-C61 VanDerWaalsContact CB-SG 3.54Å; I17-C61 HydrophobicContact CD1-CB 4.46Å; I17-C61 HydrophobicContact CG1-CB 3.75Å; T20-C61 PolarHBondContact OG1-SG 3.34Å; L57-C61 PolarHBondContact O-N 3.15Å; L57-C61 PolarHBondContact O-SG 3.16Å; L58-C61 HydrophobicContact CD1-CB 4.29Å; L58-C61 WeakPolarHBondContact O-CB 3.11Å; L58-C61 PolarHBondContact O-N 3.32Å; N59-C61 VanDerWaalsContact C-N 3.34Å; C61-L64 PolarHBondContact O-N 3.43Å; C61-S65 WeakPolarHBondContact O-CB 3.41Å; C61-S65 PolarHBondContact O-N 2.85Å; C61-S65 PolarHBondContact O-OG 3.11Å
62S98.8Very high98.3Very high13 Ų1341.6 Ų41.69%0.09121%0.211CC..Hα-helixtrans-59.3-47.6175.4169.10000111.1L58 N59 I60 S65 F66 A104L58-S62 WeakPolarHBondContact O-CB 3.47Å; L58-S62 PolarHBondContact O-N 2.93Å; N59-S62 WeakPolarHBondContact O-CB 3Å; N59-S62 PolarHBondContact O-N 3.44Å; I60-S62 VanDerWaalsContact C-N 3.35Å; I60-S62 PolarHBondContact O-N 3.34Å; S62-S65 WeakPolarHBondContact O-CB 3.38Å; S62-S65 PolarHBondContact O-N 2.85Å; S62-F66 PolarHBondContact O-N 2.93Å; S62-A104 WeakPolarHBondContact CB-O 3.2Å; S62-A104 PolarHBondContact OG-O 3.42Å
63F98.6Very high98.3Very high135 Ų13539.2 Ų39.259%0.59219%0.19SC*.Hα-helixtrans-62.2-47175.5176.3-104.2000112.6N59 I60 S65 F66 V67N59-F63 PolarHBondContact O-N 3.33Å; I60-F63 PolarHBondContact O-N 3.04Å; F63-S65 VanDerWaalsContact C-N 3.25Å; F63-S65 PolarHBondContact O-N 2.69Å; F63-F66 WeakPolarHBondContact O-CB 3.48Å; F63-F66 PolarHBondContact O-N 3.43Å; F63-F66 VanDerWaalsContact O-N 3.15Å; F63-V67 HydrophobicContact CD1-CG2 4.47Å; F63-V67 HydrophobicContact CE1-CG2 3.98Å; F63-V67 HydrophobicContact CE2-CG2 4.29Å; F63-V67 HydrophobicContact CZ-CG2 3.88Å; F63-V67 PolarHBondContact O-N 3.37Å
64L98.3Very high98.2Very high32 Ų3240.5 Ų40.517%0.16820%0.195CC..Hα-helixtrans-60.8-36.7176.7-75.3173.4000112F9 L13 A16 I60 C61 V67 C68F9-L64 HydrophobicContact CD1-CD2 4.37Å; L13-L64 HydrophobicContact CB-CB 4.16Å; L13-L64 HydrophobicContact CD1-CB 3.96Å; A16-L64 HydrophobicContact CB-CD1 4.15Å; I60-L64 HydrophobicContact CG2-CD1 4.09Å; I60-L64 HydrophobicContact CG2-CG 4.5Å; I60-L64 WeakPolarHBondContact O-CG 3.25Å; I60-L64 PolarHBondContact O-N 2.99Å; C61-L64 PolarHBondContact O-N 3.43Å; L64-V67 PolarHBondContact O-N 2.99Å; L64-C68 PolarHBondContact O-N 2.81Å; L64-C68 PolarHBondContact O-SG 2.93Å
65S98.7Very high98.1Very high0 Ų040.7 Ų40.70%020%0.196CC..Hα-helixtrans-62.5-45.9174.4-59.10000111.2L13 C61 S62 F63 V67 C68 I69 M107L13-S65 WeakPolarHBondContact CD1-OG 3.44Å; C61-S65 WeakPolarHBondContact O-CB 3.41Å; C61-S65 PolarHBondContact O-N 2.85Å; C61-S65 PolarHBondContact O-OG 3.11Å; S62-S65 WeakPolarHBondContact O-CB 3.38Å; S62-S65 PolarHBondContact O-N 2.85Å; F63-S65 VanDerWaalsContact C-N 3.25Å; F63-S65 PolarHBondContact O-N 2.69Å; S65-V67 VanDerWaalsContact C-N 3.31Å; S65-V67 PolarHBondContact O-N 2.7Å; S65-C68 PolarHBondContact O-N 2.87Å; S65-I69 WeakPolarHBondContact O-CB 3.48Å; S65-I69 VanDerWaalsContact O-CD1 3.32Å; S65-I69 WeakPolarHBondContact O-CD1 3.23Å; S65-I69 VanDerWaalsContact O-CG1 3.28Å; S65-I69 WeakPolarHBondContact O-CG1 3.45Å; S65-I69 PolarHBondContact O-N 2.63Å; S65-M107 WeakPolarHBondContact OG-CE 3.21Å
66F98.5Very high98Very high95 Ų9540.4 Ų40.442%0.41719%0.193SC..Hα-helixtrans-55.6-46.6174.7-172.8-80.7000111.4S62 F63 I69 Y70 C101 A104S62-F66 PolarHBondContact O-N 2.93Å; F63-F66 WeakPolarHBondContact O-CB 3.48Å; F63-F66 PolarHBondContact O-N 3.43Å; F63-F66 VanDerWaalsContact O-N 3.15Å; F66-I69 PolarHBondContact O-N 3.18Å; F66-Y70 WeakPolarHBondContact O-CB 3.44Å; F66-Y70 PolarHBondContact O-N 3.24Å; F66-C101 HydrophobicContact CD2-CB 3.86Å; F66-C101 VanDerWaalsContact CD2-SG 3.57Å; F66-C101 HydrophobicContact CE2-CB 3.69Å; F66-C101 WeakPolarHBondContact CE2-SG 3.28Å; F66-A104 HydrophobicContact CB-CB 4.46Å
67V97.9Very high97.9Very high26 Ų2635 Ų3516%0.15817%0.168CC..Hα-helixtrans-60.3-48.2176.6174.60000111F9 F63 L64 S65 I69 Y70 C71F9-V67 HydrophobicContact CB-CG1 4.31Å; F9-V67 HydrophobicContact CD1-CG1 3.92Å; F9-V67 HydrophobicContact CD2-CG1 3.86Å; F9-V67 HydrophobicContact CE1-CG1 4.16Å; F9-V67 HydrophobicContact CE2-CG1 4.1Å; F9-V67 HydrophobicContact CG-CG1 3.77Å; F9-V67 HydrophobicContact CZ-CG1 4.25Å; F63-V67 HydrophobicContact CD1-CG2 4.47Å; F63-V67 HydrophobicContact CE1-CG2 3.98Å; F63-V67 HydrophobicContact CE2-CG2 4.29Å; F63-V67 HydrophobicContact CZ-CG2 3.88Å; F63-V67 PolarHBondContact O-N 3.37Å; L64-V67 PolarHBondContact O-N 2.99Å; S65-V67 VanDerWaalsContact C-N 3.31Å; S65-V67 PolarHBondContact O-N 2.7Å; V67-I69 PolarHBondContact O-N 2.88Å; V67-Y70 PolarHBondContact O-N 3.31Å; V67-C71 WeakPolarHBondContact O-CB 3.45Å; V67-C71 PolarHBondContact O-N 3.42Å; V67-C71 PolarHBondContact O-SG 3.46Å
68C98.5Very high97.7Very high0 Ų036.1 Ų36.10%018%0.175CC..Hα-helixtrans-60.2-44.8179.6-670000112.4V10 L13 L64 S65 C71 W72 F218V10-C68 HydrophobicContact CG2-CB 4.23Å; L13-C68 HydrophobicContact CD2-CB 4.49Å; L64-C68 PolarHBondContact O-N 2.81Å; L64-C68 PolarHBondContact O-SG 2.93Å; S65-C68 PolarHBondContact O-N 2.87Å; C68-C71 PolarHBondContact O-N 3.22Å; C68-W72 WeakPolarHBondContact O-CB 3.4Å; C68-W72 PolarHBondContact O-N 2.92Å; C68-F218 HydrophobicContact CB-CD1 4.14Å; C68-F218 HydrophobicContact CB-CE1 3.86Å
69I98.7Very high97.5Very high3 Ų336.1 Ų36.12%0.01518%0.175CC..Hα-helixtrans-62.9-46.7178.1-71.3156.1000110.6S65 F66 V67 W72 Y73 G100 A104 F136 F218S65-I69 WeakPolarHBondContact O-CB 3.48Å; S65-I69 VanDerWaalsContact O-CD1 3.32Å; S65-I69 WeakPolarHBondContact O-CD1 3.23Å; S65-I69 VanDerWaalsContact O-CG1 3.28Å; S65-I69 WeakPolarHBondContact O-CG1 3.45Å; S65-I69 PolarHBondContact O-N 2.63Å; F66-I69 PolarHBondContact O-N 3.18Å; V67-I69 PolarHBondContact O-N 2.88Å; I69-W72 PolarHBondContact O-N 3.44Å; I69-Y73 PolarHBondContact O-N 3.47Å; I69-G100 VanDerWaalsContact CD1-C 3.41Å; I69-G100 WeakPolarHBondContact CD1-O 3.43Å; I69-A104 HydrophobicContact CD1-CB 4.31Å; I69-F136 HydrophobicContact CG1-CE1 4.34Å; I69-F136 HydrophobicContact CG1-CE2 4.17Å; I69-F136 HydrophobicContact CG1-CZ 3.84Å; I69-F136 HydrophobicContact CG2-CE2 4.07Å; I69-F136 HydrophobicContact CG2-CZ 4.48Å; I69-F218 HydrophobicContact CD1-CZ 4.23Å; I69-F218 HydrophobicContact CG1-CE1 4.2Å; I69-F218 HydrophobicContact CG1-CZ 4.13Å
70Y98.2Very high97.2Very high109 Ų10934.5 Ų34.543%0.42717%0.166SC..Hα-helixtrans-64.8-42.3179.2-175.1-110.2000112.1F66 V67 W72 Y73 L74F66-Y70 WeakPolarHBondContact O-CB 3.44Å; F66-Y70 PolarHBondContact O-N 3.24Å; V67-Y70 PolarHBondContact O-N 3.31Å; Y70-W72 VanDerWaalsContact C-N 3.32Å; Y70-W72 PolarHBondContact O-N 3.07Å; Y70-Y73 AromaticContact CD2-CD1 3.94Å; Y70-Y73 HydrophobicContact CD2-CD1 3.94Å; Y70-Y73 AromaticContact CE2-CD1 3.87Å; Y70-Y73 HydrophobicContact CE2-CD1 3.87Å; Y70-Y73 HydrophobicContact CE2-CE1 4.06Å; Y70-Y73 WeakPolarHBondContact O-CB 3.48Å; Y70-Y73 PolarHBondContact O-N 3.27Å; Y70-L74 HydrophobicContact CD1-CD1 4.04Å; Y70-L74 HydrophobicContact CD1-CG 4.4Å; Y70-L74 HydrophobicContact CE1-CD1 3.58Å; Y70-L74 HydrophobicContact CE1-CD2 4.43Å; Y70-L74 HydrophobicContact CE1-CG 4.05Å; Y70-L74 WeakPolarHBondContact O-CG 3.3Å; Y70-L74 PolarHBondContact O-N 3.44Å
71C97.5Very high97Very high16 Ų1638.2 Ų38.211%0.10818%0.176CC..Hα-helixtrans-59.3-41.9173.6-77.50000112.3V6 V67 C68 L74 H75 L225V6-C71 HydrophobicContact CG1-CB 3.5Å; V67-C71 WeakPolarHBondContact O-CB 3.45Å; V67-C71 PolarHBondContact O-N 3.42Å; V67-C71 PolarHBondContact O-SG 3.46Å; C68-C71 PolarHBondContact O-N 3.22Å; C71-L74 PolarHBondContact O-N 2.87Å; C71-H75 PolarHBondContact O-N 3.2Å; C71-L225 HydrophobicContact CB-CD2 4.38Å
72W97.6Very high96.7Very high1 Ų143.1 Ų43.10%0.00421%0.207CC..Hα-helixtrans-65.8-39.1176.3-172.692.9000112.6C68 I69 Y70 H75 E76 T96 V140 L148 M221 L225C68-W72 WeakPolarHBondContact O-CB 3.4Å; C68-W72 PolarHBondContact O-N 2.92Å; I69-W72 PolarHBondContact O-N 3.44Å; Y70-W72 VanDerWaalsContact C-N 3.32Å; Y70-W72 PolarHBondContact O-N 3.07Å; W72-H75 WeakPolarHBondContact O-CB 3.47Å; W72-H75 PolarHBondContact O-N 3.36Å; W72-E76 HydrophobicContact CH2-CB 4.44Å; W72-E76 WeakPolarHBondContact CH2-OE2 3.19Å; W72-E76 HydrophobicContact CZ3-CB 4.34Å; W72-E76 WeakPolarHBondContact CZ3-OE2 3.27Å; W72-E76 PolarHBondContact O-N 3.43Å; W72-T96 HydrophobicContact CH2-CG2 4.5Å; W72-T96 HydrophobicContact CZ3-CG2 3.88Å; W72-V140 HydrophobicContact CD2-CG2 4.3Å; W72-V140 HydrophobicContact CE3-CG2 4.17Å; W72-V140 HydrophobicContact CH2-CB 4.19Å; W72-V140 HydrophobicContact CH2-CG1 4.25Å; W72-V140 HydrophobicContact CH2-CG2 3.78Å; W72-V140 HydrophobicContact CZ2-CB 4.04Å; W72-V140 HydrophobicContact CZ2-CG1 3.58Å; W72-V140 HydrophobicContact CZ2-CG2 3.89Å; W72-V140 HydrophobicContact CZ3-CG2 3.92Å; W72-L148 HydrophobicContact CZ2-CD1 3.83Å; W72-M221 HydrophobicContact CB-CE 3.31Å; W72-M221 HydrophobicContact CD2-CE 4.09Å; W72-M221 HydrophobicContact CG-CE 3.26Å; W72-L225 HydrophobicContact CB-CD2 4.48Å
73Y97.9Very high96.4Very high35 Ų3547.3 Ų47.314%0.13723%0.228CC..Hα-helixtrans-58.6-46.3171.7157.7-106.4000112.4I69 Y70 H75 E76 C77 A93 R94 C97I69-Y73 PolarHBondContact O-N 3.47Å; Y70-Y73 AromaticContact CD2-CD1 3.94Å; Y70-Y73 HydrophobicContact CD2-CD1 3.94Å; Y70-Y73 AromaticContact CE2-CD1 3.87Å; Y70-Y73 HydrophobicContact CE2-CD1 3.87Å; Y70-Y73 HydrophobicContact CE2-CE1 4.06Å; Y70-Y73 WeakPolarHBondContact O-CB 3.48Å; Y70-Y73 PolarHBondContact O-N 3.27Å; Y73-H75 VanDerWaalsContact C-N 3.32Å; Y73-H75 PolarHBondContact O-N 3.29Å; Y73-E76 PolarHBondContact O-N 2.9Å; Y73-C77 WeakPolarHBondContact CE2-SG 3.22Å; Y73-C77 VanDerWaalsContact CZ-SG 3.58Å; Y73-C77 PolarHBondContact O-N 3.44Å; Y73-C77 PolarHBondContact O-SG 3.05Å; Y73-A93 HydrophobicContact CD2-CB 3.85Å; Y73-A93 WeakPolarHBondContact CD2-O 3.39Å; Y73-A93 HydrophobicContact CE2-CB 4.09Å; Y73-R94 HydrophobicContact CE2-CB 4.27Å; Y73-R94 HydrophobicContact CE2-CG 3.5Å; Y73-R94 VanDerWaalsContact CE2-CG 3.5Å; Y73-R94 WeakPolarHBondContact OH-CG 3.46Å; Y73-C97 HydrophobicContact CD2-CB 4.05Å; Y73-C97 HydrophobicContact CG-CB 3.88Å
74L96.5Very high96Very high79 Ų7949.5 Ų49.541%0.41424%0.24SC..Hα-helixtrans-63.6-39177.3-68.1-178.4000111.9Y70 C71 C77 N78Y70-L74 HydrophobicContact CD1-CD1 4.04Å; Y70-L74 HydrophobicContact CD1-CG 4.4Å; Y70-L74 HydrophobicContact CE1-CD1 3.58Å; Y70-L74 HydrophobicContact CE1-CD2 4.43Å; Y70-L74 HydrophobicContact CE1-CG 4.05Å; Y70-L74 WeakPolarHBondContact O-CG 3.3Å; Y70-L74 PolarHBondContact O-N 3.44Å; C71-L74 PolarHBondContact O-N 2.87Å; L74-C77 PolarHBondContact O-N 3.47Å; L74-N78 WeakPolarHBondContact O-CB 3.45Å; L74-N78 PolarHBondContact O-N 2.98Å
75H95.5Very high95.5Very high11 Ų1149.2 Ų49.25%0.05124%0.244CC..Hα-helixtrans-59.1-51.7172.3150.2-100.6000111.4C71 W72 Y73 C77 N78 V79 E224 L225 Y228C71-H75 PolarHBondContact O-N 3.2Å; W72-H75 WeakPolarHBondContact O-CB 3.47Å; W72-H75 PolarHBondContact O-N 3.36Å; Y73-H75 VanDerWaalsContact C-N 3.32Å; Y73-H75 PolarHBondContact O-N 3.29Å; H75-C77 VanDerWaalsContact C-N 3.28Å; H75-C77 PolarHBondContact O-N 2.98Å; H75-N78 WeakPolarHBondContact O-CB 3.33Å; H75-N78 PolarHBondContact O-N 3.43Å; H75-N78 VanDerWaalsContact O-N 3.09Å; H75-V79 WeakPolarHBondContact NE2-CG2 2.99Å; H75-V79 WeakPolarHBondContact O-CG2 3.3Å; H75-V79 PolarHBondContact O-N 3.26Å; H75-E224 VanDerWaalsContact CE1-CB 3.43Å; H75-E224 WeakPolarHBondContact CE1-CB 3.28Å; H75-E224 VanDerWaalsContact CE1-CG 3.5Å; H75-E224 WeakPolarHBondContact CE1-CG 3.35Å; H75-L225 HydrophobicContact CB-CD2 4.02Å; H75-Y228 HydrophobicContact CB-CD2 4.4Å; H75-Y228 HydrophobicContact CB-CE1 4.45Å; H75-Y228 HydrophobicContact CB-CE2 4.23Å; H75-Y228 AromaticContact CD2-CE2 3.22Å; H75-Y228 WeakPolarHBondContact CD2-CE2 3.37Å; H75-Y228 AromaticContact CD2-CZ 3.46Å; H75-Y228 VanDerWaalsContact CD2-CZ 3.46Å; H75-Y228 PolarHBondContact CD2-OH 3.12Å
76E95.7Very high95.2Very high0 Ų052.4 Ų52.40%027%0.265CS..Hα-helixtrans-59.8-41.3179.1-177.7173-160.600111W72 Y73 N78 V79 M80 A93 S143 H147 L148W72-E76 HydrophobicContact CH2-CB 4.44Å; W72-E76 WeakPolarHBondContact CH2-OE2 3.19Å; W72-E76 HydrophobicContact CZ3-CB 4.34Å; W72-E76 WeakPolarHBondContact CZ3-OE2 3.27Å; W72-E76 PolarHBondContact O-N 3.43Å; Y73-E76 PolarHBondContact O-N 2.9Å; E76-N78 PolarHBondContact O-N 3.25Å; E76-V79 PolarHBondContact O-N 2.97Å; E76-M80 VanDerWaalsContact O-CG 3.3Å; E76-M80 WeakPolarHBondContact O-CG 3.29Å; E76-M80 PolarHBondContact O-N 3.32Å; E76-A93 HydrophobicContact CB-CB 4.29Å; E76-A93 HydrophobicContact CG-CB 3.95Å; E76-A93 WeakPolarHBondContact OE2-CA 3.34Å; E76-A93 VanDerWaalsContact OE2-CB 3.25Å; E76-A93 WeakPolarHBondContact OE2-CB 3.31Å; E76-S143 VanDerWaalsContact OE1-CB 3.24Å; E76-S143 WeakPolarHBondContact OE1-CB 3.34Å; E76-S143 PolarHBondContact OE1-OG 2.96Å; E76-H147 WeakPolarHBondContact OE1-CB 3.47Å; E76-H147 IonicContact OE1-CG 2.66Å; E76-H147 IonicContact OE1-ND1 2.88Å; E76-H147 PolarHBondContact OE1-ND1 2.94Å; E76-L148 HydrophobicContact CB-CD2 4.11Å; E76-L148 HydrophobicContact CG-CD2 3.92Å
77C96Very high94.9Very high8 Ų854.2 Ų54.25%0.05428%0.279CS..Hα-helixtrans-60.8-43.4174.8-69.50000112.4Y73 L74 H75 M80 Y81 I90Y73-C77 WeakPolarHBondContact CE2-SG 3.22Å; Y73-C77 VanDerWaalsContact CZ-SG 3.58Å; Y73-C77 PolarHBondContact O-N 3.44Å; Y73-C77 PolarHBondContact O-SG 3.05Å; L74-C77 PolarHBondContact O-N 3.47Å; H75-C77 VanDerWaalsContact C-N 3.28Å; H75-C77 PolarHBondContact O-N 2.98Å; C77-M80 PolarHBondContact O-N 2.99Å; C77-Y81 HydrophobicContact CB-CE2 4.17Å; C77-Y81 WeakPolarHBondContact O-CD2 3.36Å; C77-Y81 PolarHBondContact O-N 3.49Å; C77-I90 HydrophobicContact CB-CD1 4.13Å
78N94.5Very high94.7Very high72 Ų7256.6 Ų56.639%0.38530%0.296SS..Hα-helixtrans-61.3-45.6177.3176.3-101.1000111.6L74 H75 E76 M80 Y81 T82 Y228L74-N78 WeakPolarHBondContact O-CB 3.45Å; L74-N78 PolarHBondContact O-N 2.98Å; H75-N78 WeakPolarHBondContact O-CB 3.33Å; H75-N78 PolarHBondContact O-N 3.43Å; H75-N78 VanDerWaalsContact O-N 3.09Å; E76-N78 PolarHBondContact O-N 3.25Å; N78-M80 VanDerWaalsContact C-N 3.28Å; N78-M80 PolarHBondContact O-N 3.49Å; N78-Y81 PolarHBondContact O-N 3.4Å; N78-T82 PolarHBondContact O-N 3.45Å; N78-T82 PolarHBondContact O-OG1 3.24Å; N78-Y228 HydrophobicContact CB-CE1 4.06Å; N78-Y228 WeakPolarHBondContact OD1-CE1 3.4Å; N78-Y228 PolarHBondContact OD1-OH 2.61Å
79V94.2Very high94.5Very high10 Ų1058.9 Ų58.96%0.06131%0.307CS..Hα-helixtrans-58.5-42.9174.6176.50000110.6H75 E76 Y81 T82 L83 L148H75-V79 WeakPolarHBondContact NE2-CG2 2.99Å; H75-V79 WeakPolarHBondContact O-CG2 3.3Å; H75-V79 PolarHBondContact O-N 3.26Å; E76-V79 PolarHBondContact O-N 2.97Å; V79-Y81 PolarHBondContact O-N 2.87Å; V79-T82 PolarHBondContact O-N 2.94Å; V79-L83 HydrophobicContact CG1-CD1 3.71Å; V79-L83 HydrophobicContact CG1-CG 4.26Å; V79-L83 WeakPolarHBondContact O-CB 3.39Å; V79-L83 WeakPolarHBondContact O-CG 3.27Å; V79-L83 PolarHBondContact O-N 2.91Å; V79-L148 HydrophobicContact CB-CD2 4.42Å; V79-L148 HydrophobicContact CG1-CD2 4.45Å; V79-L148 HydrophobicContact CG2-CD2 4.43Å
80M92.8Very high94.3Very high6 Ų659.2 Ų59.23%0.0331%0.309CS..Hα-helixtrans-64.3-40.9179.1-72.1-55.593.100113.4E76 C77 N78 L83 Q84 G85 H89 I90 H147E76-M80 VanDerWaalsContact O-CG 3.3Å; E76-M80 WeakPolarHBondContact O-CG 3.29Å; E76-M80 PolarHBondContact O-N 3.32Å; C77-M80 PolarHBondContact O-N 2.99Å; N78-M80 VanDerWaalsContact C-N 3.28Å; N78-M80 PolarHBondContact O-N 3.49Å; M80-L83 HydrophobicContact CE-CD1 4.41Å; M80-Q84 PolarHBondContact O-N 2.92Å; M80-Q84 VanDerWaalsContact O-N 3.12Å; M80-G85 PolarHBondContact O-N 3.39Å; M80-H89 HydrophobicContact CG-CB 3.98Å; M80-H89 HydrophobicContact SD-CB 3.43Å; M80-H89 WeakPolarHBondContact SD-CB 3.45Å; M80-H89 PolarHBondContact SD-ND1 3.37Å; M80-I90 HydrophobicContact CB-CD1 3.48Å; M80-I90 VanDerWaalsContact CB-CD1 3.48Å; M80-I90 HydrophobicContact CB-CG1 4.35Å; M80-I90 HydrophobicContact CG-CD1 3.96Å; M80-H147 HydrophobicContact CE-CB 4Å; M80-H147 WeakPolarHBondContact CE-O 3.43Å; M80-H147 HydrophobicContact SD-CB 4.33Å
81Y93.9Very high94.2Very high151 Ų15158.3 Ų58.359%0.59232%0.315SS*.Hα-helixtrans-66.8-41.2175.6-68.1-54.9000111.9C77 N78 V79 Q84C77-Y81 HydrophobicContact CB-CE2 4.17Å; C77-Y81 WeakPolarHBondContact O-CD2 3.36Å; C77-Y81 PolarHBondContact O-N 3.49Å; N78-Y81 PolarHBondContact O-N 3.4Å; V79-Y81 PolarHBondContact O-N 2.87Å; Y81-Q84 PolarHBondContact O-N 3.32Å
82T93Very high94.2Very high104 Ų10459.6 Ų59.664%0.63832%0.319SS*.Hα-helixtrans-63.3-41.5177.7-600000112N78 V79 Q84N78-T82 PolarHBondContact O-N 3.45Å; N78-T82 PolarHBondContact O-OG1 3.24Å; V79-T82 PolarHBondContact O-N 2.94Å; T82-Q84 VanDerWaalsContact C-N 3.3Å; T82-Q84 PolarHBondContact O-N 3.19Å
83L91.2Very high94.2Very high101 Ų10159.6 Ų59.653%0.52932%0.318SS..THydrogen-bonded Turntrans-84.10.3180-63.4-179.6000114V79 M80 G85V79-L83 HydrophobicContact CG1-CD1 3.71Å; V79-L83 HydrophobicContact CG1-CG 4.26Å; V79-L83 WeakPolarHBondContact O-CB 3.39Å; V79-L83 WeakPolarHBondContact O-CG 3.27Å; V79-L83 PolarHBondContact O-N 2.91Å; M80-L83 HydrophobicContact CE-CD1 4.41Å; L83-G85 PolarHBondContact O-N 3.14Å
84Q91.1Very high94.3Very high181 Ų18163.8 Ų63.885%0.84633%0.334SS*.THydrogen-bonded Turntrans51.740.4-173-57-178.5-0.500112.4M80 Y81 T82M80-Q84 PolarHBondContact O-N 2.92Å; M80-Q84 VanDerWaalsContact O-N 3.12Å; Y81-Q84 PolarHBondContact O-N 3.32Å; T82-Q84 VanDerWaalsContact C-N 3.3Å; T82-Q84 PolarHBondContact O-N 3.19Å
85G87.6Confident94.4Very high25 Ų2564.3 Ų64.326%0.25834%0.337SS..  trans-65.8161.2-179.600000112.9M80 L83M80-G85 PolarHBondContact O-N 3.39Å; L83-G85 PolarHBondContact O-N 3.14Å
86P92Very high94.5Very high67 Ų6763.8 Ų63.844%0.43533%0.334SS..  trans-67.4148.8178.630.2-36000111.6S88 H89P86-S88 PolarHBondContact O-N 3.03Å; P86-H89 PolarHBondContact O-N 2.72Å
87N92.2Very high94.7Very high133 Ų13364.5 Ų64.571%0.71134%0.339SS*.Hα-helixtrans-56.2-25.3177.2-77-28000113.7H89 I90 V91N87-H89 PolarHBondContact O-N 3.02Å; N87-I90 PolarHBondContact O-N 2.67Å; N87-V91 PolarHBondContact O-N 2.82Å; N87-V91 VanDerWaalsContact O-N 3.13Å
88S94.3Very high94.8Very high76 Ų7668.8 Ų68.853%0.53136%0.36SS..Hα-helixtrans-59-32.7175.353.10000112.9P86 V91 F92P86-S88 PolarHBondContact O-N 3.03Å; S88-V91 PolarHBondContact O-N 2.88Å; S88-F92 PolarHBondContact O-N 3.46Å
89H93.5Very high95Very high48 Ų4866.8 Ų66.822%0.22235%0.349CS..Hα-helixtrans-72.4-34.9177.5-64.7-175.9000111.9M80 P86 N87 V91 F92 A93 H147M80-H89 HydrophobicContact CG-CB 3.98Å; M80-H89 HydrophobicContact SD-CB 3.43Å; M80-H89 WeakPolarHBondContact SD-CB 3.45Å; M80-H89 PolarHBondContact SD-ND1 3.37Å; P86-H89 PolarHBondContact O-N 2.72Å; N87-H89 PolarHBondContact O-N 3.02Å; H89-V91 VanDerWaalsContact C-N 3.32Å; H89-F92 WeakPolarHBondContact O-CB 3.4Å; H89-F92 PolarHBondContact O-N 3.46Å; H89-A93 PolarHBondContact O-N 2.88Å; H89-H147 AromaticContact CD2-CD2 3.79Å; H89-H147 AromaticContact CD2-NE2 3.67Å; H89-H147 AromaticContact CE1-CD2 3.61Å; H89-H147 AromaticContact CG-CD2 3.72Å; H89-H147 AromaticContact CG-NE2 3.95Å; H89-H147 AromaticContact ND1-CD2 3.6Å; H89-H147 AromaticContact NE2-CD2 3.75Å; H89-H147 AromaticContact NE2-NE2 3.86Å
90I94.9Very high95.2Very high10 Ų1066.3 Ų66.35%0.05135%0.347CS..Hα-helixtrans-64.4-40.5172.7-59.5-63.8000110.6C77 M80 N87 F92 A93 R94C77-I90 HydrophobicContact CB-CD1 4.13Å; M80-I90 HydrophobicContact CB-CD1 3.48Å; M80-I90 VanDerWaalsContact CB-CD1 3.48Å; M80-I90 HydrophobicContact CB-CG1 4.35Å; M80-I90 HydrophobicContact CG-CD1 3.96Å; N87-I90 PolarHBondContact O-N 2.67Å; I90-F92 VanDerWaalsContact C-N 3.32Å; I90-A93 PolarHBondContact O-N 3.29Å; I90-R94 WeakPolarHBondContact O-CG 3.35Å; I90-R94 PolarHBondContact O-N 3.41Å
91V97.1Very high95.5Very high91 Ų9167 Ų6755%0.55235%0.352SS*.Hα-helixtrans-62.3-41.8174.2176.40000110.8N87 S88 H89 R94 L95N87-V91 PolarHBondContact O-N 2.82Å; N87-V91 VanDerWaalsContact O-N 3.13Å; S88-V91 PolarHBondContact O-N 2.88Å; H89-V91 VanDerWaalsContact C-N 3.32Å; V91-R94 PolarHBondContact O-N 2.8Å; V91-L95 PolarHBondContact O-N 2.85Å
92F97.6Very high95.7Very high43 Ų4363.1 Ų63.119%0.18934%0.341CS..Hα-helixtrans-60.9-45.4174.4-174.9-81.9000112.3S88 H89 I90 R94 L95 T96 L139 Y142 S143 H147S88-F92 PolarHBondContact O-N 3.46Å; H89-F92 WeakPolarHBondContact O-CB 3.4Å; H89-F92 PolarHBondContact O-N 3.46Å; I90-F92 VanDerWaalsContact C-N 3.32Å; F92-R94 VanDerWaalsContact C-N 3.31Å; F92-R94 PolarHBondContact O-N 3.18Å; F92-L95 PolarHBondContact O-N 2.89Å; F92-T96 VanDerWaalsContact CE1-OG1 3.29Å; F92-T96 WeakPolarHBondContact CE1-OG1 3.5Å; F92-T96 WeakPolarHBondContact O-CB 3.47Å; F92-T96 PolarHBondContact O-N 2.99Å; F92-T96 PolarHBondContact O-OG1 3.46Å; F92-L139 HydrophobicContact CE1-CB 4.21Å; F92-L139 HydrophobicContact CE1-CD2 4.41Å; F92-L139 HydrophobicContact CE2-CD2 3.76Å; F92-L139 HydrophobicContact CZ-CB 3.97Å; F92-L139 HydrophobicContact CZ-CD2 3.49Å; F92-L139 VanDerWaalsContact CZ-CD2 3.49Å; F92-L139 HydrophobicContact CZ-CG 4.31Å; F92-Y142 HydrophobicContact CE1-CD1 4.11Å; F92-Y142 AromaticContact CE2-CD1 3.79Å; F92-Y142 HydrophobicContact CE2-CD1 3.79Å; F92-Y142 HydrophobicContact CE2-CE1 4.07Å; F92-Y142 AromaticContact CZ-CD1 3.48Å; F92-Y142 HydrophobicContact CZ-CD1 3.48Å; F92-Y142 VanDerWaalsContact CZ-CD1 3.48Å; F92-Y142 HydrophobicContact CZ-CE1 4.19Å; F92-Y142 HydrophobicContact CZ-CG 4.26Å; F92-S143 WeakPolarHBondContact CE1-OG 3.38Å; F92-H147 AromaticContact CD1-CE1 3.41Å; F92-H147 VanDerWaalsContact CD1-CE1 3.41Å; F92-H147 WeakPolarHBondContact CD1-CE1 3.49Å; F92-H147 AromaticContact CD1-ND1 3.67Å; F92-H147 AromaticContact CE1-CE1 3.89Å; F92-H147 AromaticContact CG-CE1 3.52Å
93A97.7Very high96Very high0 Ų058.7 Ų58.70%032%0.315CS..Hα-helixtrans-60.2-42177.300000111.3Y73 E76 H89 I90 T96 C97Y73-A93 HydrophobicContact CD2-CB 3.85Å; Y73-A93 WeakPolarHBondContact CD2-O 3.39Å; Y73-A93 HydrophobicContact CE2-CB 4.09Å; E76-A93 HydrophobicContact CB-CB 4.29Å; E76-A93 HydrophobicContact CG-CB 3.95Å; E76-A93 WeakPolarHBondContact OE2-CA 3.34Å; E76-A93 VanDerWaalsContact OE2-CB 3.25Å; E76-A93 WeakPolarHBondContact OE2-CB 3.31Å; H89-A93 PolarHBondContact O-N 2.88Å; I90-A93 PolarHBondContact O-N 3.29Å; A93-T96 PolarHBondContact O-N 3.33Å; A93-C97 WeakPolarHBondContact O-CB 3.34Å; A93-C97 PolarHBondContact O-N 2.81Å
94R98.3Very high96.4Very high123 Ų12354 Ų5446%0.46429%0.29SS..Hα-helixtrans-62.6-45.7175.4-72.3176.5-174.5170.33.8112.1Y73 I90 V91 F92 T96 C97 I98Y73-R94 HydrophobicContact CE2-CB 4.27Å; Y73-R94 HydrophobicContact CE2-CG 3.5Å; Y73-R94 VanDerWaalsContact CE2-CG 3.5Å; Y73-R94 WeakPolarHBondContact OH-CG 3.46Å; I90-R94 WeakPolarHBondContact O-CG 3.35Å; I90-R94 PolarHBondContact O-N 3.41Å; V91-R94 PolarHBondContact O-N 2.8Å; F92-R94 VanDerWaalsContact C-N 3.31Å; F92-R94 PolarHBondContact O-N 3.18Å; R94-T96 VanDerWaalsContact C-N 3.33Å; R94-C97 WeakPolarHBondContact O-CB 3.37Å; R94-C97 PolarHBondContact O-N 2.94Å; R94-I98 WeakPolarHBondContact O-CG1 3.34Å; R94-I98 PolarHBondContact O-N 2.86Å
95L98.5Very high96.7Very high90 Ų9049.6 Ų49.647%0.47127%0.272SS..Hα-helixtrans-60.9-45.5176.4178.863.6000110.9V91 F92 C97 I98 I99V91-L95 PolarHBondContact O-N 2.85Å; F92-L95 PolarHBondContact O-N 2.89Å; L95-C97 VanDerWaalsContact C-N 3.29Å; L95-C97 PolarHBondContact O-N 3.22Å; L95-I98 PolarHBondContact O-N 3.34Å; L95-I98 VanDerWaalsContact O-N 3.14Å; L95-I99 HydrophobicContact CD1-CG1 4.35Å; L95-I99 WeakPolarHBondContact O-CG1 3.32Å; L95-I99 PolarHBondContact O-N 3.18Å
96T98.6Very high97.3Very high0 Ų048.4 Ų48.40%026%0.26CS..Hα-helixtrans-58-43.6176.4-56.80000111.1W72 F92 A93 R94 I99 G100 F136 L139 V140W72-T96 HydrophobicContact CH2-CG2 4.5Å; W72-T96 HydrophobicContact CZ3-CG2 3.88Å; F92-T96 VanDerWaalsContact CE1-OG1 3.29Å; F92-T96 WeakPolarHBondContact CE1-OG1 3.5Å; F92-T96 WeakPolarHBondContact O-CB 3.47Å; F92-T96 PolarHBondContact O-N 2.99Å; F92-T96 PolarHBondContact O-OG1 3.46Å; A93-T96 PolarHBondContact O-N 3.33Å; R94-T96 VanDerWaalsContact C-N 3.33Å; T96-I99 PolarHBondContact O-N 3.45Å; T96-G100 PolarHBondContact O-N 3.48Å; T96-F136 HydrophobicContact CG2-CD2 3.86Å; T96-F136 HydrophobicContact CG2-CE2 3.89Å; T96-F136 WeakPolarHBondContact O-CD2 3.36Å; T96-L139 HydrophobicContact CG2-CB 3.83Å; T96-L139 HydrophobicContact CG2-CD1 4.48Å; T96-V140 HydrophobicContact CG2-CG2 3.9Å
97C98.7Very high97.6Very high15 Ų1546.3 Ų46.310%0.10124%0.244CC..Hα-helixtrans-59.3-48173.8-169.50000111.9Y73 A93 R94 L95 I99 G100 C101Y73-C97 HydrophobicContact CD2-CB 4.05Å; Y73-C97 HydrophobicContact CG-CB 3.88Å; A93-C97 WeakPolarHBondContact O-CB 3.34Å; A93-C97 PolarHBondContact O-N 2.81Å; R94-C97 WeakPolarHBondContact O-CB 3.37Å; R94-C97 PolarHBondContact O-N 2.94Å; L95-C97 VanDerWaalsContact C-N 3.29Å; L95-C97 PolarHBondContact O-N 3.22Å; C97-I99 PolarHBondContact O-N 2.87Å; C97-G100 PolarHBondContact O-N 3.39Å; C97-C101 WeakPolarHBondContact O-CB 3.38Å; C97-C101 PolarHBondContact O-N 2.92Å; C97-C101 PolarHBondContact O-SG 2.97Å
98I98.8Very high97.9Very high98 Ų9841.4 Ų41.450%0.50322%0.22SC..Hα-helixtrans-59.8-47.7-179.8-69.6163.8000110.7R94 L95 G100 C101 L102R94-I98 WeakPolarHBondContact O-CG1 3.34Å; R94-I98 PolarHBondContact O-N 2.86Å; L95-I98 PolarHBondContact O-N 3.34Å; L95-I98 VanDerWaalsContact O-N 3.14Å; I98-G100 PolarHBondContact O-N 2.88Å; I98-C101 PolarHBondContact O-N 3.42Å; I98-L102 HydrophobicContact CG2-CD1 4.14Å; I98-L102 WeakPolarHBondContact O-CG 3.22Å; I98-L102 PolarHBondContact O-N 3.33Å
99I98.8Very high98.1Very high30 Ų3039.2 Ų39.215%0.15420%0.203CC..Hα-helixtrans-61.2-45.6178.5-63.8-61.3000111.1L95 T96 C97 L102 S103 L132 V135 F136 L139L95-I99 HydrophobicContact CD1-CG1 4.35Å; L95-I99 WeakPolarHBondContact O-CG1 3.32Å; L95-I99 PolarHBondContact O-N 3.18Å; T96-I99 PolarHBondContact O-N 3.45Å; C97-I99 PolarHBondContact O-N 2.87Å; I99-L102 PolarHBondContact O-N 2.99Å; I99-S103 PolarHBondContact O-N 3.33Å; I99-L132 HydrophobicContact CG2-CB 4.14Å; I99-V135 HydrophobicContact CG2-CB 4.11Å; I99-V135 HydrophobicContact CG2-CG1 3.97Å; I99-F136 HydrophobicContact CG2-CB 4.24Å; I99-L139 HydrophobicContact CB-CD1 4.46Å; I99-L139 HydrophobicContact CG1-CD1 4.29Å
100G98.8Very high98.3Very high0 Ų037.8 Ų37.80%020%0.197CC..Hα-helixtrans-61-44.4175.700000112.3I69 T96 C97 I98 L102 S103 A104I69-G100 VanDerWaalsContact CD1-C 3.41Å; I69-G100 WeakPolarHBondContact CD1-O 3.43Å; T96-G100 PolarHBondContact O-N 3.48Å; C97-G100 PolarHBondContact O-N 3.39Å; I98-G100 PolarHBondContact O-N 2.88Å; G100-L102 VanDerWaalsContact C-N 3.32Å; G100-L102 PolarHBondContact O-N 2.97Å; G100-S103 WeakPolarHBondContact O-CB 3.4Å; G100-S103 PolarHBondContact O-N 3.38Å; G100-S103 VanDerWaalsContact O-N 3.13Å; G100-A104 PolarHBondContact O-N 3.26Å
101C98.8Very high98.4Very high22 Ų2237.4 Ų37.415%0.14920%0.196CC..Hα-helixtrans-64.6-35.6178.4-68.50000112.4F66 C97 I98 A104 L105F66-C101 HydrophobicContact CD2-CB 3.86Å; F66-C101 VanDerWaalsContact CD2-SG 3.57Å; F66-C101 HydrophobicContact CE2-CB 3.69Å; F66-C101 WeakPolarHBondContact CE2-SG 3.28Å; C97-C101 WeakPolarHBondContact O-CB 3.38Å; C97-C101 PolarHBondContact O-N 2.92Å; C97-C101 PolarHBondContact O-SG 2.97Å; I98-C101 PolarHBondContact O-N 3.42Å; C101-A104 PolarHBondContact O-N 3.28Å; C101-L105 PolarHBondContact O-N 2.91Å
102L98.8Very high98.4Very high68 Ų6837 Ų3736%0.35619%0.19SC..Hα-helixtrans-67.4-35.8172.7-71.2172.9000112.2I98 I99 G100 L105 G106 M128 L132I98-L102 HydrophobicContact CG2-CD1 4.14Å; I98-L102 WeakPolarHBondContact O-CG 3.22Å; I98-L102 PolarHBondContact O-N 3.33Å; I99-L102 PolarHBondContact O-N 2.99Å; G100-L102 VanDerWaalsContact C-N 3.32Å; G100-L102 PolarHBondContact O-N 2.97Å; L102-L105 HydrophobicContact CD2-CD2 4.41Å; L102-L105 PolarHBondContact O-N 3.45Å; L102-G106 PolarHBondContact O-N 2.78Å; L102-M128 WeakPolarHBondContact O-CE 3.34Å; L102-L132 HydrophobicContact CB-CD1 3.53Å; L102-L132 HydrophobicContact CD1-CD1 4.46Å
103S98.8Very high98.4Very high12 Ų1239.1 Ų39.18%0.08420%0.2CC..Hα-helixtrans-62.2-44.4170.3172.10000111.4I99 G100 L105 G106 M107 M128 T129I99-S103 PolarHBondContact O-N 3.33Å; G100-S103 WeakPolarHBondContact O-CB 3.4Å; G100-S103 PolarHBondContact O-N 3.38Å; G100-S103 VanDerWaalsContact O-N 3.13Å; S103-L105 PolarHBondContact O-N 3.13Å; S103-G106 WeakPolarHBondContact O-CA 3.5Å; S103-G106 PolarHBondContact O-N 2.96Å; S103-G106 VanDerWaalsContact O-N 3.09Å; S103-M107 PolarHBondContact O-N 3.39Å; S103-M128 WeakPolarHBondContact CA-O 3.45Å; S103-T129 PolarHBondContact OG-O 2.96Å
104A98.8Very high98.3Very high2 Ų240.9 Ų40.92%0.01721%0.208CC..Hα-helixtrans-63.4-38.917500000113.1S62 F66 I69 G100 C101 G106 M107 S108S62-A104 WeakPolarHBondContact CB-O 3.2Å; S62-A104 PolarHBondContact OG-O 3.42Å; F66-A104 HydrophobicContact CB-CB 4.46Å; I69-A104 HydrophobicContact CD1-CB 4.31Å; G100-A104 PolarHBondContact O-N 3.26Å; C101-A104 PolarHBondContact O-N 3.28Å; A104-G106 VanDerWaalsContact C-N 3.28Å; A104-G106 PolarHBondContact O-N 2.72Å; A104-M107 HydrophobicContact CB-CE 4.18Å; A104-M107 WeakPolarHBondContact O-CB 3.39Å; A104-M107 PolarHBondContact O-N 3.46Å; A104-M107 VanDerWaalsContact O-N 3.15Å; A104-S108 PolarHBondContact O-N 3.18Å
105L98.7Very high97.9Very high89 Ų8935.7 Ų35.747%0.46619%0.189SC..Hα-helixtrans-60.6-40171.417861.2000111.3C101 L102 S103 M107 S108 I109 M128C101-L105 PolarHBondContact O-N 2.91Å; L102-L105 HydrophobicContact CD2-CD2 4.41Å; L102-L105 PolarHBondContact O-N 3.45Å; S103-L105 PolarHBondContact O-N 3.13Å; L105-M107 VanDerWaalsContact C-N 3.26Å; L105-M107 PolarHBondContact O-N 2.97Å; L105-S108 WeakPolarHBondContact O-CB 3.41Å; L105-S108 PolarHBondContact O-N 3.47Å; L105-S108 VanDerWaalsContact O-N 3.07Å; L105-I109 HydrophobicContact CG-CD1 4.38Å; L105-I109 PolarHBondContact O-N 3.36Å; L105-M128 HydrophobicContact CB-CE 4.26Å; L105-M128 HydrophobicContact CD2-CE 4.01Å; L105-M128 HydrophobicContact CG-CE 4.05Å
106G98.7Very high97.5Very high0 Ų033.2 Ų33.20%018%0.182CC..Hα-helixtrans-52-44.2171.700000112.6L102 S103 A104 S108 I109 V110 G125 T129L102-G106 PolarHBondContact O-N 2.78Å; S103-G106 WeakPolarHBondContact O-CA 3.5Å; S103-G106 PolarHBondContact O-N 2.96Å; S103-G106 VanDerWaalsContact O-N 3.09Å; A104-G106 VanDerWaalsContact C-N 3.28Å; A104-G106 PolarHBondContact O-N 2.72Å; G106-S108 VanDerWaalsContact C-N 3.29Å; G106-S108 PolarHBondContact O-N 2.94Å; G106-I109 WeakPolarHBondContact O-CB 3.36Å; G106-I109 PolarHBondContact O-N 3.27Å; G106-I109 VanDerWaalsContact O-N 3.09Å; G106-V110 WeakPolarHBondContact O-CG2 3.39Å; G106-V110 PolarHBondContact O-N 2.89Å; G106-G125 CarbonylContact C-O 3.57Å; G106-G125 WeakPolarHBondContact CA-O 3.26Å; G106-T129 WeakPolarHBondContact CA-OG1 3.24Å; G106-T129 PolarHBondContact O-OG1 3.28Å
107M98.5Very high97.2Very high22 Ų2237.5 Ų37.511%0.10821%0.211CC..Hα-helixtrans-63.2-37.3178.6-73.1-173.4-84.200111.9S65 S103 A104 L105 V110 A111 T129S65-M107 WeakPolarHBondContact OG-CE 3.21Å; S103-M107 PolarHBondContact O-N 3.39Å; A104-M107 HydrophobicContact CB-CE 4.18Å; A104-M107 WeakPolarHBondContact O-CB 3.39Å; A104-M107 PolarHBondContact O-N 3.46Å; A104-M107 VanDerWaalsContact O-N 3.15Å; L105-M107 VanDerWaalsContact C-N 3.26Å; L105-M107 PolarHBondContact O-N 2.97Å; M107-V110 PolarHBondContact O-N 2.95Å; M107-A111 WeakPolarHBondContact O-CB 3.19Å; M107-A111 PolarHBondContact O-N 2.98Å; M107-T129 WeakPolarHBondContact CA-OG1 3.35Å; M107-T129 HydrophobicContact CG-CG2 3.34Å; M107-T129 PolarHBondContact N-OG1 3.37Å; M107-T129 HydrophobicContact SD-CG2 4.26Å
108S98.5Very high96.9Very high30 Ų3040.7 Ų40.721%0.2123%0.227CC..Hα-helixtrans-66.4-39.4174.3-174.60000111.2N59 A104 L105 G106 A111 N112N59-S108 PolarHBondContact OD1-OG 3.06Å; A104-S108 PolarHBondContact O-N 3.18Å; L105-S108 WeakPolarHBondContact O-CB 3.41Å; L105-S108 PolarHBondContact O-N 3.47Å; L105-S108 VanDerWaalsContact O-N 3.07Å; G106-S108 VanDerWaalsContact C-N 3.29Å; G106-S108 PolarHBondContact O-N 2.94Å; S108-A111 WeakPolarHBondContact O-CB 3.34Å; S108-A111 PolarHBondContact O-N 3.28Å; S108-N112 PolarHBondContact O-N 3.36Å; S108-N112 PolarHBondContact O-ND2 2.92Å; S108-N112 PolarHBondContact OG-ND2 3.18Å
109I98.6Very high96.6Very high31 Ų3138.4 Ų38.416%0.15922%0.215CC..Hα-helixtrans-61.7-48.7175.3-65.7170.4000110.3L105 G106 A111 N112 F113 V121 M128L105-I109 HydrophobicContact CG-CD1 4.38Å; L105-I109 PolarHBondContact O-N 3.36Å; G106-I109 WeakPolarHBondContact O-CB 3.36Å; G106-I109 PolarHBondContact O-N 3.27Å; G106-I109 VanDerWaalsContact O-N 3.09Å; I109-A111 VanDerWaalsContact C-N 3.25Å; I109-A111 PolarHBondContact O-N 2.84Å; I109-N112 PolarHBondContact O-N 2.84Å; I109-F113 HydrophobicContact CB-CD2 4.49Å; I109-F113 HydrophobicContact CG2-CD2 3.84Å; I109-F113 WeakPolarHBondContact O-CB 3.43Å; I109-F113 WeakPolarHBondContact O-CD2 3.09Å; I109-F113 PolarHBondContact O-N 3.31Å; I109-V121 HydrophobicContact CG2-CG1 3.76Å; I109-V121 WeakPolarHBondContact CG2-O 3.41Å; I109-M128 HydrophobicContact CD1-CE 4.02Å; I109-M128 HydrophobicContact CD1-SD 3.75Å
110V97.9Very high96.4Very high18 Ų1841.8 Ų41.811%0.10924%0.237CC..Hα-helixtrans-56.4-41.1176.2171.70000111.6L58 G106 M107 N112 A126L58-V110 HydrophobicContact CD2-CB 4.43Å; L58-V110 HydrophobicContact CD2-CG1 4.07Å; G106-V110 WeakPolarHBondContact O-CG2 3.39Å; G106-V110 PolarHBondContact O-N 2.89Å; M107-V110 PolarHBondContact O-N 2.95Å; V110-N112 VanDerWaalsContact C-N 3.33Å; V110-N112 PolarHBondContact O-N 2.75Å; V110-A126 HydrophobicContact CG2-CB 4.24Å; V110-A126 VanDerWaalsContact CG2-N 3.32Å
111A97.6Very high96.3Very high2 Ų243.7 Ų43.72%0.01725%0.249CC..Hα-helixtrans-63.6-34.8-179.100000113.8G55 L58 M107 S108 I109G55-A111 VanDerWaalsContact CA-O 3.24Å; G55-A111 WeakPolarHBondContact CA-O 3.49Å; L58-A111 HydrophobicContact CB-CB 3.79Å; L58-A111 HydrophobicContact CD2-CB 3.88Å; L58-A111 HydrophobicContact CG-CB 4.05Å; M107-A111 WeakPolarHBondContact O-CB 3.19Å; M107-A111 PolarHBondContact O-N 2.98Å; S108-A111 WeakPolarHBondContact O-CB 3.34Å; S108-A111 PolarHBondContact O-N 3.28Å; I109-A111 VanDerWaalsContact C-N 3.25Å; I109-A111 PolarHBondContact O-N 2.84Å
112N97.4Very high96.1Very high82 Ų8243.2 Ų43.244%0.43924%0.244SC..Hα-helixtrans-103.5-22.2-172-64.8-73.2000113.5N59 S108 I109 V110 Q114N59-N112 PolarHBondContact ND2-ND2 2.81Å; N59-N112 VanDerWaalsContact ND2-ND2 3.17Å; N59-N112 PolarHBondContact ND2-OD1 2.91Å; N59-N112 VanDerWaalsContact ND2-OD1 3.14Å; N59-N112 PolarHBondContact OD1-ND2 3.29Å; S108-N112 PolarHBondContact O-N 3.36Å; S108-N112 PolarHBondContact O-ND2 2.92Å; S108-N112 PolarHBondContact OG-ND2 3.18Å; I109-N112 PolarHBondContact O-N 2.84Å; V110-N112 VanDerWaalsContact C-N 3.33Å; V110-N112 PolarHBondContact O-N 2.75Å; N112-Q114 PolarHBondContact O-OE1 3Å
113F96.9Very high96Very high88 Ų8843.9 Ų43.939%0.38625%0.248SC..SBendtrans-113.784.5178.3-61.5-82.6000108.5I109 L118 V121 H122I109-F113 HydrophobicContact CB-CD2 4.49Å; I109-F113 HydrophobicContact CG2-CD2 3.84Å; I109-F113 WeakPolarHBondContact O-CB 3.43Å; I109-F113 WeakPolarHBondContact O-CD2 3.09Å; I109-F113 PolarHBondContact O-N 3.31Å; F113-L118 HydrophobicContact CD1-CD2 3.86Å; F113-L118 HydrophobicContact CE1-CD2 4.26Å; F113-V121 HydrophobicContact CB-CB 4.18Å; F113-V121 HydrophobicContact CB-CG1 3.87Å; F113-V121 HydrophobicContact CD1-CB 4.27Å; F113-V121 HydrophobicContact CD1-CG1 3.85Å; F113-V121 HydrophobicContact CD2-CG1 3.61Å; F113-V121 HydrophobicContact CE1-CG1 4.28Å; F113-V121 HydrophobicContact CE2-CG1 4.08Å; F113-V121 HydrophobicContact CG-CB 4.15Å; F113-V121 HydrophobicContact CG-CG1 3.49Å; F113-V121 VanDerWaalsContact CG-CG1 3.49Å; F113-V121 HydrophobicContact CZ-CG1 4.38Å; F113-H122 VanDerWaalsContact O-CB 3.25Å; F113-H122 WeakPolarHBondContact O-CB 3.47Å; F113-H122 PolarHBondContact O-ND1 2.98Å
114Q94.9Very high95.9Very high37 Ų3747.6 Ų47.617%0.17327%0.266CS..  trans-63.1147.1178.7-6084.2-9.300110.6G45 N112 A116 S117 L118G45-Q114 WeakPolarHBondContact O-CG 3.47Å; N112-Q114 PolarHBondContact O-OE1 3Å; Q114-A116 PolarHBondContact O-N 3.04Å; Q114-S117 PolarHBondContact O-N 3.34Å; Q114-L118 PolarHBondContact O-N 3.15Å
115E90.6Very high95.9Very high13 Ų1347.5 Ų47.56%0.06127%0.265CS..Hα-helixtrans-55.8-37.8176.548.9166.4-111.300113S42 D43 A46 S117 I119 H122 F186S42-E115 VanDerWaalsContact CB-OE2 3.27Å; S42-E115 WeakPolarHBondContact CB-OE2 3.35Å; S42-E115 PolarHBondContact OG-OE2 2.97Å; D43-E115 VanDerWaalsContact OD1-OE1 3.11Å; A46-E115 HydrophobicContact CB-CG 4.14Å; E115-S117 PolarHBondContact O-N 3.46Å; E115-I119 HydrophobicContact CB-CD1 3.73Å; E115-I119 PolarHBondContact O-N 3.36Å; E115-H122 PolarHBondContact N-ND1 3Å; E115-F186 WeakPolarHBondContact OE1-CD1 3.43Å
116A90.1Very high95.8Very high39 Ų3943.8 Ų43.832%0.32225%0.247SC..Hα-helixtrans-69.7-17.2178.200000114.7A46 L47 Q114 F186A46-A116 HydrophobicContact CB-CB 4.23Å; L47-A116 HydrophobicContact CD2-CB 4.18Å; Q114-A116 PolarHBondContact O-N 3.04Å; A116-F186 HydrophobicContact CB-CB 3.8Å; A116-F186 WeakPolarHBondContact CB-O 3.28Å
117S92.1Very high95.8Very high90 Ų9048 Ų4863%0.62927%0.268SS*.Hα-helixtrans-103.5-46.6179.2-640000112.3Q114 E115Q114-S117 PolarHBondContact O-N 3.34Å; E115-S117 PolarHBondContact O-N 3.46Å
118L93.5Very high95.8Very high82 Ų8248.8 Ų48.843%0.42927%0.272SS..Hα-helixtrans-151.268.6-173.5-15967.5000112.6F113 Q114 V120 V121 H122F113-L118 HydrophobicContact CD1-CD2 3.86Å; F113-L118 HydrophobicContact CE1-CD2 4.26Å; Q114-L118 PolarHBondContact O-N 3.15Å; L118-V120 VanDerWaalsContact C-N 3.27Å; L118-V120 PolarHBondContact O-N 3.24Å; L118-V120 VanDerWaalsContact O-N 3.09Å; L118-V121 HydrophobicContact CD2-CB 3.87Å; L118-V121 HydrophobicContact CD2-CG2 3.42Å; L118-V121 VanDerWaalsContact CD2-CG2 3.42Å; L118-V121 HydrophobicContact CG-CB 4.16Å; L118-V121 HydrophobicContact CG-CG2 3.91Å; L118-V121 PolarHBondContact O-N 3.1Å; L118-V121 VanDerWaalsContact O-N 3.08Å; L118-H122 PolarHBondContact O-N 3.45Å
119I91.1Very high95.8Very high49 Ų4947.8 Ų47.825%0.25127%0.265SS..Hα-helixtrans-48.8-39.2-175.4-173.361.5000114.8E115 V121 H122 L123 F186E115-I119 HydrophobicContact CB-CD1 3.73Å; E115-I119 PolarHBondContact O-N 3.36Å; I119-V121 PolarHBondContact O-N 3Å; I119-H122 WeakPolarHBondContact O-CB 3.43Å; I119-H122 PolarHBondContact O-N 2.91Å; I119-L123 HydrophobicContact CD1-CD1 4.21Å; I119-L123 HydrophobicContact CD1-CD2 4.29Å; I119-L123 HydrophobicContact CD1-CG 3.94Å; I119-L123 HydrophobicContact CG1-CD1 3.96Å; I119-L123 HydrophobicContact CG1-CG 4.14Å; I119-L123 WeakPolarHBondContact O-CB 3.33Å; I119-L123 VanDerWaalsContact O-CG 3.28Å; I119-L123 WeakPolarHBondContact O-CG 3.45Å; I119-L123 PolarHBondContact O-N 3.5Å; I119-F186 HydrophobicContact CD1-CE1 4.34Å; I119-F186 HydrophobicContact CD1-CZ 4.21Å; I119-F186 HydrophobicContact CG1-CZ 4.19Å
120V94.4Very high95.7Very high101 Ų10147.4 Ų47.461%0.61226%0.262SS*.Hα-helixtrans-62-46.2-178.6-179.80000111.2L118 L123 I124L118-V120 VanDerWaalsContact C-N 3.27Å; L118-V120 PolarHBondContact O-N 3.24Å; L118-V120 VanDerWaalsContact O-N 3.09Å; V120-L123 PolarHBondContact O-N 3.14Å; V120-I124 HydrophobicContact CG1-CD1 4.46Å; V120-I124 WeakPolarHBondContact O-CG1 3.44Å; V120-I124 PolarHBondContact O-N 2.96Å; V120-I124 VanDerWaalsContact O-N 3.13Å
121V97.6Very high95.7Very high41 Ų4147.3 Ų47.325%0.24826%0.264CS..Hα-helixtrans-72.5-36.3179.5179.90000110.5I109 F113 L118 I119 L123 I124 G125I109-V121 HydrophobicContact CG2-CG1 3.76Å; I109-V121 WeakPolarHBondContact CG2-O 3.41Å; F113-V121 HydrophobicContact CB-CB 4.18Å; F113-V121 HydrophobicContact CB-CG1 3.87Å; F113-V121 HydrophobicContact CD1-CB 4.27Å; F113-V121 HydrophobicContact CD1-CG1 3.85Å; F113-V121 HydrophobicContact CD2-CG1 3.61Å; F113-V121 HydrophobicContact CE1-CG1 4.28Å; F113-V121 HydrophobicContact CE2-CG1 4.08Å; F113-V121 HydrophobicContact CG-CB 4.15Å; F113-V121 HydrophobicContact CG-CG1 3.49Å; F113-V121 VanDerWaalsContact CG-CG1 3.49Å; F113-V121 HydrophobicContact CZ-CG1 4.38Å; L118-V121 HydrophobicContact CD2-CB 3.87Å; L118-V121 HydrophobicContact CD2-CG2 3.42Å; L118-V121 VanDerWaalsContact CD2-CG2 3.42Å; L118-V121 HydrophobicContact CG-CB 4.16Å; L118-V121 HydrophobicContact CG-CG2 3.91Å; L118-V121 PolarHBondContact O-N 3.1Å; L118-V121 VanDerWaalsContact O-N 3.08Å; I119-V121 PolarHBondContact O-N 3Å; V121-L123 VanDerWaalsContact C-N 3.34Å; V121-L123 PolarHBondContact O-N 3.2Å; V121-I124 WeakPolarHBondContact O-CB 3.34Å; V121-I124 PolarHBondContact O-N 3.37Å; V121-G125 PolarHBondContact O-N 3.01Å
122H95.6Very high95.8Very high11 Ų1149.4 Ų49.45%0.05128%0.275CS..Hα-helixtrans-54.7-50.3171.8-171.487000111.5S42 F113 E115 L118 I119 I124 G125 A126S42-H122 WeakPolarHBondContact CB-NE2 3.47Å; F113-H122 VanDerWaalsContact O-CB 3.25Å; F113-H122 WeakPolarHBondContact O-CB 3.47Å; F113-H122 PolarHBondContact O-ND1 2.98Å; E115-H122 PolarHBondContact N-ND1 3Å; L118-H122 PolarHBondContact O-N 3.45Å; I119-H122 WeakPolarHBondContact O-CB 3.43Å; I119-H122 PolarHBondContact O-N 2.91Å; H122-I124 VanDerWaalsContact C-N 3.33Å; H122-I124 PolarHBondContact O-N 2.93Å; H122-G125 CarbonylContact O-C 3.54Å; H122-G125 WeakPolarHBondContact O-CA 3.34Å; H122-G125 PolarHBondContact O-N 3.5Å; H122-G125 VanDerWaalsContact O-N 3.11Å; H122-A126 PolarHBondContact O-N 3.48Å
123L94.8Very high95.8Very high83 Ų8345.7 Ų45.744%0.43526%0.256SS..Hα-helixtrans-65.3-33.9179.8-69.3176.1000112.6I119 V120 V121 A126 M127I119-L123 HydrophobicContact CD1-CD1 4.21Å; I119-L123 HydrophobicContact CD1-CD2 4.29Å; I119-L123 HydrophobicContact CD1-CG 3.94Å; I119-L123 HydrophobicContact CG1-CD1 3.96Å; I119-L123 HydrophobicContact CG1-CG 4.14Å; I119-L123 WeakPolarHBondContact O-CB 3.33Å; I119-L123 VanDerWaalsContact O-CG 3.28Å; I119-L123 WeakPolarHBondContact O-CG 3.45Å; I119-L123 PolarHBondContact O-N 3.5Å; V120-L123 PolarHBondContact O-N 3.14Å; V121-L123 VanDerWaalsContact C-N 3.34Å; V121-L123 PolarHBondContact O-N 3.2Å; L123-A126 PolarHBondContact O-N 3.18Å; L123-M127 WeakPolarHBondContact O-CB 3.47Å; L123-M127 WeakPolarHBondContact O-CG 3.25Å; L123-M127 PolarHBondContact O-N 3.26Å
124I98.1Very high95.9Very high90 Ų9042.2 Ų42.246%0.46224%0.242SC..Hα-helixtrans-61.6-48.3170.6-68.2166.6000110V120 V121 H122 A126 M127 M128V120-I124 HydrophobicContact CG1-CD1 4.46Å; V120-I124 WeakPolarHBondContact O-CG1 3.44Å; V120-I124 PolarHBondContact O-N 2.96Å; V120-I124 VanDerWaalsContact O-N 3.13Å; V121-I124 WeakPolarHBondContact O-CB 3.34Å; V121-I124 PolarHBondContact O-N 3.37Å; H122-I124 VanDerWaalsContact C-N 3.33Å; H122-I124 PolarHBondContact O-N 2.93Å; I124-A126 VanDerWaalsContact C-N 3.33Å; I124-A126 PolarHBondContact O-N 3.33Å; I124-M127 PolarHBondContact O-N 3.29Å; I124-M128 HydrophobicContact CG2-SD 3.99Å; I124-M128 WeakPolarHBondContact O-CB 3.35Å; I124-M128 VanDerWaalsContact O-CG 3.28Å; I124-M128 WeakPolarHBondContact O-CG 3.31Å; I124-M128 PolarHBondContact O-N 3.04Å
125G98.5Very high96.1Very high0 Ų043.6 Ų43.60%025%0.253CS..Hα-helixtrans-60-41.4176.100000112.9G106 V121 H122 M128 T129G106-G125 CarbonylContact C-O 3.57Å; G106-G125 WeakPolarHBondContact CA-O 3.26Å; V121-G125 PolarHBondContact O-N 3.01Å; H122-G125 CarbonylContact O-C 3.54Å; H122-G125 WeakPolarHBondContact O-CA 3.34Å; H122-G125 PolarHBondContact O-N 3.5Å; H122-G125 VanDerWaalsContact O-N 3.11Å; G125-M128 PolarHBondContact O-N 2.81Å; G125-T129 WeakPolarHBondContact O-CB 3.37Å; G125-T129 PolarHBondContact O-N 3.37Å; G125-T129 PolarHBondContact O-OG1 2.88Å
126A97.5Very high96.5Very high11 Ų1143.2 Ų43.29%0.09125%0.251CS..Hα-helixtrans-65.4-46.2177.800000111.2V110 H122 L123 I124 M128 T129 F130V110-A126 HydrophobicContact CG2-CB 4.24Å; V110-A126 VanDerWaalsContact CG2-N 3.32Å; H122-A126 PolarHBondContact O-N 3.48Å; L123-A126 PolarHBondContact O-N 3.18Å; I124-A126 VanDerWaalsContact C-N 3.33Å; I124-A126 PolarHBondContact O-N 3.33Å; A126-M128 VanDerWaalsContact C-N 3.31Å; A126-M128 PolarHBondContact O-N 3.32Å; A126-T129 PolarHBondContact O-N 2.8Å; A126-F130 HydrophobicContact CB-CD2 4.27Å; A126-F130 HydrophobicContact CB-CE2 4.44Å; A126-F130 WeakPolarHBondContact O-CB 3.47Å; A126-F130 WeakPolarHBondContact O-CD2 3.34Å; A126-F130 PolarHBondContact O-N 3.34Å
127M97Very high96.9Very high88 Ų8841.6 Ų41.643%0.43324%0.237SC..Iπ-helixtrans-60.6-39.5174.2-78.5-60-55.400112.5L123 I124 G131 F173L123-M127 WeakPolarHBondContact O-CB 3.47Å; L123-M127 WeakPolarHBondContact O-CG 3.25Å; L123-M127 PolarHBondContact O-N 3.26Å; I124-M127 PolarHBondContact O-N 3.29Å; M127-G131 WeakPolarHBondContact O-CA 3.38Å; M127-G131 PolarHBondContact O-N 3.5Å; M127-F173 HydrophobicContact CG-CE1 4.37Å; M127-F173 HydrophobicContact CG-CZ 4.1Å; M127-F173 HydrophobicContact SD-CD1 4.37Å; M127-F173 HydrophobicContact SD-CD2 4.29Å; M127-F173 HydrophobicContact SD-CE1 3.53Å; M127-F173 VanDerWaalsContact SD-CE1 3.53Å; M127-F173 HydrophobicContact SD-CE2 3.45Å; M127-F173 WeakPolarHBondContact SD-CE2 3.11Å; M127-F173 HydrophobicContact SD-CZ 3.03Å; M127-F173 WeakPolarHBondContact SD-CZ 3.35Å
128M98.4Very high97.2Very high38 Ų3839.4 Ų39.419%0.18722%0.224CC..Iπ-helixtrans-64.6-50.2174-73.6174.862.100111L102 S103 L105 I109 I124 G125 A126 L132L102-M128 WeakPolarHBondContact O-CE 3.34Å; S103-M128 WeakPolarHBondContact CA-O 3.45Å; L105-M128 HydrophobicContact CB-CE 4.26Å; L105-M128 HydrophobicContact CD2-CE 4.01Å; L105-M128 HydrophobicContact CG-CE 4.05Å; I109-M128 HydrophobicContact CD1-CE 4.02Å; I109-M128 HydrophobicContact CD1-SD 3.75Å; I124-M128 HydrophobicContact CG2-SD 3.99Å; I124-M128 WeakPolarHBondContact O-CB 3.35Å; I124-M128 VanDerWaalsContact O-CG 3.28Å; I124-M128 WeakPolarHBondContact O-CG 3.31Å; I124-M128 PolarHBondContact O-N 3.04Å; G125-M128 PolarHBondContact O-N 2.81Å; A126-M128 VanDerWaalsContact C-N 3.31Å; A126-M128 PolarHBondContact O-N 3.32Å; M128-L132 HydrophobicContact CB-CD1 4.34Å; M128-L132 HydrophobicContact CG-CD1 4.42Å; M128-L132 WeakPolarHBondContact O-CB 3.38Å; M128-L132 WeakPolarHBondContact O-CG 3.35Å; M128-L132 PolarHBondContact O-N 3.49Å
129T98.5Very high97.5Very high10 Ų1037 Ų376%0.06121%0.212CC..Iπ-helixtrans-57.9-57.8-179.8-590000111S103 G106 M107 G125 A126 G133S103-T129 PolarHBondContact OG-O 2.96Å; G106-T129 WeakPolarHBondContact CA-OG1 3.24Å; G106-T129 PolarHBondContact O-OG1 3.28Å; M107-T129 WeakPolarHBondContact CA-OG1 3.35Å; M107-T129 HydrophobicContact CG-CG2 3.34Å; M107-T129 PolarHBondContact N-OG1 3.37Å; M107-T129 HydrophobicContact SD-CG2 4.26Å; G125-T129 WeakPolarHBondContact O-CB 3.37Å; G125-T129 PolarHBondContact O-N 3.37Å; G125-T129 PolarHBondContact O-OG1 2.88Å; A126-T129 PolarHBondContact O-N 2.8Å; T129-G133 WeakPolarHBondContact O-CA 3.44Å; T129-G133 PolarHBondContact O-N 3.47Å
130F97.8Very high97.8Very high22 Ų2234.7 Ų34.710%0.09620%0.2CC..Iπ-helixtrans-83.9-50.7-168.6-63.3-48.7000112.3A126 G133 V134 N169 E207 M210 F214A126-F130 HydrophobicContact CB-CD2 4.27Å; A126-F130 HydrophobicContact CB-CE2 4.44Å; A126-F130 WeakPolarHBondContact O-CB 3.47Å; A126-F130 WeakPolarHBondContact O-CD2 3.34Å; A126-F130 PolarHBondContact O-N 3.34Å; F130-G133 PolarHBondContact O-N 2.95Å; F130-V134 WeakPolarHBondContact O-CG2 3.35Å; F130-V134 PolarHBondContact O-N 2.86Å; F130-N169 WeakPolarHBondContact CB-OD1 3.2Å; F130-E207 HydrophobicContact CE2-CG 4.3Å; F130-E207 HydrophobicContact CZ-CG 4.17Å; F130-M210 HydrophobicContact CB-CE 3.66Å; F130-M210 HydrophobicContact CB-SD 3.57Å; F130-M210 VanDerWaalsContact CB-SD 3.57Å; F130-M210 HydrophobicContact CD1-CE 3.35Å; F130-M210 HydrophobicContact CD1-CG 4.11Å; F130-M210 HydrophobicContact CD1-SD 3.73Å; F130-M210 HydrophobicContact CD2-CE 3.5Å; F130-M210 VanDerWaalsContact CD2-CE 3.5Å; F130-M210 HydrophobicContact CE1-CE 3.77Å; F130-M210 HydrophobicContact CE2-CE 3.88Å; F130-M210 HydrophobicContact CG-CE 3.21Å; F130-M210 HydrophobicContact CG-SD 3.72Å; F130-M210 HydrophobicContact CZ-CE 4.01Å; F130-F214 HydrophobicContact CD1-CD2 4.41Å; F130-F214 AromaticContact CD1-CE2 3.92Å; F130-F214 HydrophobicContact CD1-CE2 3.92Å
131G97.9Very high98Very high16 Ų1630.2 Ų30.217%0.16517%0.173CC..Iπ-helixtrans-60.3-52.6178.800000112.3M127 G133 V134 V135M127-G131 WeakPolarHBondContact O-CA 3.38Å; M127-G131 PolarHBondContact O-N 3.5Å; G131-G133 VanDerWaalsContact C-N 3.29Å; G131-G133 PolarHBondContact O-N 3.32Å; G131-V134 PolarHBondContact O-N 2.92Å; G131-V135 PolarHBondContact O-N 3.42Å
132L98.7Very high98Very high47 Ų4733.7 Ų33.725%0.24618%0.182CC..Hα-helixtrans-71.1-26.2176.9-53.1175.3000112.1I99 L102 M128 V135 F136I99-L132 HydrophobicContact CG2-CB 4.14Å; L102-L132 HydrophobicContact CB-CD1 3.53Å; L102-L132 HydrophobicContact CD1-CD1 4.46Å; M128-L132 HydrophobicContact CB-CD1 4.34Å; M128-L132 HydrophobicContact CG-CD1 4.42Å; M128-L132 WeakPolarHBondContact O-CB 3.38Å; M128-L132 WeakPolarHBondContact O-CG 3.35Å; M128-L132 PolarHBondContact O-N 3.49Å; L132-V135 PolarHBondContact O-N 3.47Å; L132-F136 WeakPolarHBondContact O-CB 3.44Å; L132-F136 PolarHBondContact O-N 2.9Å
133G98.7Very high98.1Very high4 Ų433.1 Ų33.14%0.04118%0.18CC..Hα-helixtrans-62.3-40172.900000112.9T129 F130 G131 S137T129-G133 WeakPolarHBondContact O-CA 3.44Å; T129-G133 PolarHBondContact O-N 3.47Å; F130-G133 PolarHBondContact O-N 2.95Å; G131-G133 VanDerWaalsContact C-N 3.29Å; G131-G133 PolarHBondContact O-N 3.32Å; G133-S137 WeakPolarHBondContact O-CB 3.31Å; G133-S137 PolarHBondContact O-N 3.1Å; G133-S137 PolarHBondContact O-OG 3.36Å
134V98.7Very high98.1Very high14 Ų1429.3 Ų29.39%0.08516%0.16CC..Hα-helixtrans-64.4-45.1172.41750000110.8F130 G131 S137 A138 F166 N169 F214F130-V134 WeakPolarHBondContact O-CG2 3.35Å; F130-V134 PolarHBondContact O-N 2.86Å; G131-V134 PolarHBondContact O-N 2.92Å; V134-S137 PolarHBondContact O-N 3.25Å; V134-A138 PolarHBondContact O-N 2.99Å; V134-F166 HydrophobicContact CG1-CB 3.8Å; V134-F166 HydrophobicContact CG1-CD2 4.08Å; V134-F166 HydrophobicContact CG1-CG 4.42Å; V134-N169 HydrophobicContact CG2-CB 4.13Å; V134-F214 HydrophobicContact CG2-CE1 4.09Å; V134-F214 HydrophobicContact CG2-CZ 3.8Å
135V98.8Very high98Very high67 Ų6729.7 Ų29.741%0.40616%0.156SC..Hα-helixtrans-61.8-46.4178.3179.10000110.7I99 G131 L132 S137 A138 L139I99-V135 HydrophobicContact CG2-CB 4.11Å; I99-V135 HydrophobicContact CG2-CG1 3.97Å; G131-V135 PolarHBondContact O-N 3.42Å; L132-V135 PolarHBondContact O-N 3.47Å; V135-S137 VanDerWaalsContact C-N 3.33Å; V135-S137 PolarHBondContact O-N 2.91Å; V135-A138 PolarHBondContact O-N 3.42Å; V135-L139 HydrophobicContact CG1-CD1 4.11Å; V135-L139 HydrophobicContact CG1-CG 4.41Å; V135-L139 VanDerWaalsContact O-CG 3.31Å; V135-L139 WeakPolarHBondContact O-CG 3.27Å; V135-L139 PolarHBondContact O-N 3.39Å
136F98.9Very high97.8Very high5 Ų535.5 Ų35.52%0.02218%0.181CC..Hα-helixtrans-55.6-47.7174.3171.2-103.6000111.5I69 T96 I99 L132 A138 L139 V140 F218 M221I69-F136 HydrophobicContact CG1-CE1 4.34Å; I69-F136 HydrophobicContact CG1-CE2 4.17Å; I69-F136 HydrophobicContact CG1-CZ 3.84Å; I69-F136 HydrophobicContact CG2-CE2 4.07Å; I69-F136 HydrophobicContact CG2-CZ 4.48Å; T96-F136 HydrophobicContact CG2-CD2 3.86Å; T96-F136 HydrophobicContact CG2-CE2 3.89Å; T96-F136 WeakPolarHBondContact O-CD2 3.36Å; I99-F136 HydrophobicContact CG2-CB 4.24Å; L132-F136 WeakPolarHBondContact O-CB 3.44Å; L132-F136 PolarHBondContact O-N 2.9Å; F136-A138 VanDerWaalsContact C-N 3.32Å; F136-A138 PolarHBondContact O-N 3.35Å; F136-L139 PolarHBondContact O-N 3.48Å; F136-V140 HydrophobicContact CD1-CG2 4.44Å; F136-V140 HydrophobicContact CD2-CG2 4.13Å; F136-V140 HydrophobicContact CE1-CG2 3.99Å; F136-V140 HydrophobicContact CE2-CG2 3.64Å; F136-V140 HydrophobicContact CZ-CG2 3.56Å; F136-V140 WeakPolarHBondContact O-CG2 3.43Å; F136-V140 PolarHBondContact O-N 2.97Å; F136-F218 HydrophobicContact CE1-CZ 4.46Å; F136-M221 HydrophobicContact CE1-SD 4.34Å; F136-M221 HydrophobicContact CZ-CE 4.06Å; F136-M221 HydrophobicContact CZ-SD 4.44Å
137S98.8Very high97.5Very high4 Ų435.4 Ų35.43%0.02818%0.178CC..Hα-helixtrans-60.6-41.1178.8-58.20000111.9G133 V134 V135 T141 T162 F217G133-S137 WeakPolarHBondContact O-CB 3.31Å; G133-S137 PolarHBondContact O-N 3.1Å; G133-S137 PolarHBondContact O-OG 3.36Å; V134-S137 PolarHBondContact O-N 3.25Å; V135-S137 VanDerWaalsContact C-N 3.33Å; V135-S137 PolarHBondContact O-N 2.91Å; S137-T141 VanDerWaalsContact O-CB 3.3Å; S137-T141 WeakPolarHBondContact O-CB 3.4Å; S137-T141 PolarHBondContact O-N 3.21Å; S137-T141 PolarHBondContact O-OG1 3.35Å; S137-T162 PolarHBondContact O-OG1 2.94Å; S137-F217 VanDerWaalsContact CA-CZ 3.45Å; S137-F217 WeakPolarHBondContact O-CZ 3.38Å
138A98.8Very high97.1Very high44 Ų4431.9 Ų31.936%0.36416%0.161SC..Hα-helixtrans-64-42.8175.300000112.4V134 V135 F136 T141 Y142 T162V134-A138 PolarHBondContact O-N 2.99Å; V135-A138 PolarHBondContact O-N 3.42Å; F136-A138 VanDerWaalsContact C-N 3.32Å; F136-A138 PolarHBondContact O-N 3.35Å; A138-T141 PolarHBondContact O-N 2.8Å; A138-Y142 PolarHBondContact O-N 3.04Å; A138-T162 HydrophobicContact CB-CG2 3.8Å
139L98.7Very high96.6Very high33 Ų3337.5 Ų37.517%0.17319%0.187CC..Hα-helixtrans-65.6-45.9178.4-66.6172.8000111.8F92 T96 I99 V135 F136 T141 Y142 S143F92-L139 HydrophobicContact CE1-CB 4.21Å; F92-L139 HydrophobicContact CE1-CD2 4.41Å; F92-L139 HydrophobicContact CE2-CD2 3.76Å; F92-L139 HydrophobicContact CZ-CB 3.97Å; F92-L139 HydrophobicContact CZ-CD2 3.49Å; F92-L139 VanDerWaalsContact CZ-CD2 3.49Å; F92-L139 HydrophobicContact CZ-CG 4.31Å; T96-L139 HydrophobicContact CG2-CB 3.83Å; T96-L139 HydrophobicContact CG2-CD1 4.48Å; I99-L139 HydrophobicContact CB-CD1 4.46Å; I99-L139 HydrophobicContact CG1-CD1 4.29Å; V135-L139 HydrophobicContact CG1-CD1 4.11Å; V135-L139 HydrophobicContact CG1-CG 4.41Å; V135-L139 VanDerWaalsContact O-CG 3.31Å; V135-L139 WeakPolarHBondContact O-CG 3.27Å; V135-L139 PolarHBondContact O-N 3.39Å; F136-L139 PolarHBondContact O-N 3.48Å; L139-T141 VanDerWaalsContact C-N 3.32Å; L139-T141 PolarHBondContact O-N 3.27Å; L139-Y142 WeakPolarHBondContact O-CB 3.4Å; L139-Y142 PolarHBondContact O-N 2.96Å; L139-Y142 VanDerWaalsContact O-N 3.16Å; L139-S143 PolarHBondContact O-N 3.07Å
140V98.4Very high96.2Very high0 Ų041.7 Ų41.70%020%0.203CC..Hα-helixtrans-61.1-41.5174.61680000111.1W72 T96 F136 Y142 S143 T144 F217W72-V140 HydrophobicContact CD2-CG2 4.3Å; W72-V140 HydrophobicContact CE3-CG2 4.17Å; W72-V140 HydrophobicContact CH2-CB 4.19Å; W72-V140 HydrophobicContact CH2-CG1 4.25Å; W72-V140 HydrophobicContact CH2-CG2 3.78Å; W72-V140 HydrophobicContact CZ2-CB 4.04Å; W72-V140 HydrophobicContact CZ2-CG1 3.58Å; W72-V140 HydrophobicContact CZ2-CG2 3.89Å; W72-V140 HydrophobicContact CZ3-CG2 3.92Å; T96-V140 HydrophobicContact CG2-CG2 3.9Å; F136-V140 HydrophobicContact CD1-CG2 4.44Å; F136-V140 HydrophobicContact CD2-CG2 4.13Å; F136-V140 HydrophobicContact CE1-CG2 3.99Å; F136-V140 HydrophobicContact CE2-CG2 3.64Å; F136-V140 HydrophobicContact CZ-CG2 3.56Å; F136-V140 WeakPolarHBondContact O-CG2 3.43Å; F136-V140 PolarHBondContact O-N 2.97Å; V140-Y142 VanDerWaalsContact C-N 3.31Å; V140-Y142 PolarHBondContact O-N 3.47Å; V140-S143 PolarHBondContact O-N 3.07Å; V140-T144 PolarHBondContact O-N 2.77Å; V140-T144 PolarHBondContact O-OG1 3.13Å; V140-F217 HydrophobicContact CB-CE1 3.84Å; V140-F217 HydrophobicContact CB-CZ 3.8Å; V140-F217 HydrophobicContact CG1-CE1 3.67Å; V140-F217 HydrophobicContact CG1-CZ 3.7Å; V140-F217 HydrophobicContact CG2-CE1 4.4Å
141T98.4Very high96Very high6 Ų643 Ų434%0.03721%0.21CC..Hα-helixtrans-61-41.2175.5-59.10000111.4S137 A138 L139 T144 R145 Y155 R158 L159 T162 F217S137-T141 VanDerWaalsContact O-CB 3.3Å; S137-T141 WeakPolarHBondContact O-CB 3.4Å; S137-T141 PolarHBondContact O-N 3.21Å; S137-T141 PolarHBondContact O-OG1 3.35Å; A138-T141 PolarHBondContact O-N 2.8Å; L139-T141 VanDerWaalsContact C-N 3.32Å; L139-T141 PolarHBondContact O-N 3.27Å; T141-T144 VanDerWaalsContact O-CB 3.32Å; T141-T144 WeakPolarHBondContact O-CB 3.49Å; T141-T144 PolarHBondContact O-N 3.28Å; T141-R145 PolarHBondContact O-N 3.02Å; T141-Y155 HydrophobicContact CG2-CD2 3.98Å; T141-Y155 HydrophobicContact CG2-CE2 3.85Å; T141-R158 HydrophobicContact CG2-CB 4.09Å; T141-R158 WeakPolarHBondContact OG1-CB 3.16Å; T141-L159 HydrophobicContact CG2-CB 4.08Å; T141-L159 HydrophobicContact CG2-CD1 4.39Å; T141-T162 PolarHBondContact OG1-OG1 3.44Å; T141-T162 VanDerWaalsContact OG1-OG1 3.11Å; T141-F217 WeakPolarHBondContact OG1-CE2 3.34Å
142Y98Very high95.8Very high114 Ų11448.6 Ų48.645%0.44723%0.23SC..Hα-helixtrans-63.4-47.8174.4178.2-93.5000111.9F92 A138 L139 V140 T144 R145 K146 H147F92-Y142 HydrophobicContact CE1-CD1 4.11Å; F92-Y142 AromaticContact CE2-CD1 3.79Å; F92-Y142 HydrophobicContact CE2-CD1 3.79Å; F92-Y142 HydrophobicContact CE2-CE1 4.07Å; F92-Y142 AromaticContact CZ-CD1 3.48Å; F92-Y142 HydrophobicContact CZ-CD1 3.48Å; F92-Y142 VanDerWaalsContact CZ-CD1 3.48Å; F92-Y142 HydrophobicContact CZ-CE1 4.19Å; F92-Y142 HydrophobicContact CZ-CG 4.26Å; A138-Y142 PolarHBondContact O-N 3.04Å; L139-Y142 WeakPolarHBondContact O-CB 3.4Å; L139-Y142 PolarHBondContact O-N 2.96Å; L139-Y142 VanDerWaalsContact O-N 3.16Å; V140-Y142 VanDerWaalsContact C-N 3.31Å; V140-Y142 PolarHBondContact O-N 3.47Å; Y142-T144 VanDerWaalsContact C-N 3.26Å; Y142-T144 PolarHBondContact O-N 3.14Å; Y142-R145 WeakPolarHBondContact O-CB 3.48Å; Y142-R145 PolarHBondContact O-N 3.41Å; Y142-K146 HydrophobicContact CD1-CB 4.47Å; Y142-K146 HydrophobicContact CD2-CG 4.23Å; Y142-K146 HydrophobicContact CE1-CB 4.04Å; Y142-K146 HydrophobicContact CE1-CG 4.15Å; Y142-K146 HydrophobicContact CE2-CG 3.74Å; Y142-K146 PolarHBondContact O-N 2.94Å; Y142-H147 AromaticContact CE1-CE1 3.73Å; Y142-H147 AromaticContact CE1-NE2 3.48Å; Y142-H147 WeakPolarHBondContact CE1-NE2 3.35Å
143S96.9Very high95.7Very high0 Ų054.4 Ų54.40%025%0.254CS..Hα-helixtrans-56.3-41.4174.1-720000111.7E76 F92 L139 V140 R145 K146 H147 L148E76-S143 VanDerWaalsContact OE1-CB 3.24Å; E76-S143 WeakPolarHBondContact OE1-CB 3.34Å; E76-S143 PolarHBondContact OE1-OG 2.96Å; F92-S143 WeakPolarHBondContact CE1-OG 3.38Å; L139-S143 PolarHBondContact O-N 3.07Å; V140-S143 PolarHBondContact O-N 3.07Å; S143-R145 PolarHBondContact O-N 3.32Å; S143-R145 VanDerWaalsContact O-N 3.15Å; S143-K146 PolarHBondContact O-N 3.29Å; S143-H147 PolarHBondContact O-N 2.92Å; S143-H147 PolarHBondContact OG-ND1 3.49Å; S143-L148 PolarHBondContact O-N 2.83Å
144T96Very high95.7Very high2 Ų255.2 Ų55.21%0.01226%0.257CS..Hα-helixtrans-55.5-34.3175.9-47.80000112.3V140 T141 Y142 I154 R158V140-T144 PolarHBondContact O-N 2.77Å; V140-T144 PolarHBondContact O-OG1 3.13Å; T141-T144 VanDerWaalsContact O-CB 3.32Å; T141-T144 WeakPolarHBondContact O-CB 3.49Å; T141-T144 PolarHBondContact O-N 3.28Å; Y142-T144 VanDerWaalsContact C-N 3.26Å; Y142-T144 PolarHBondContact O-N 3.14Å; T144-I154 HydrophobicContact CG2-CG2 4.08Å; T144-R158 WeakPolarHBondContact OG1-CD 3.41Å; T144-R158 PolarHBondContact OG1-NH1 2.82Å
145R95.5Very high95.6Very high99 Ų9957.2 Ų57.237%0.37426%0.263SS..Hα-helixtrans-85-33.6-179.9-179.958.1-173.297.1-8113.6T141 Y142 S143 Y150 Y155T141-R145 PolarHBondContact O-N 3.02Å; Y142-R145 WeakPolarHBondContact O-CB 3.48Å; Y142-R145 PolarHBondContact O-N 3.41Å; S143-R145 PolarHBondContact O-N 3.32Å; S143-R145 VanDerWaalsContact O-N 3.15Å; R145-Y150 HydrophobicContact CG-CE2 4.48Å; R145-Y155 HydrophobicContact CB-CD2 3.73Å; R145-Y155 HydrophobicContact CB-CE2 3.67Å; R145-Y155 HydrophobicContact CB-CG 4.41Å; R145-Y155 HydrophobicContact CG-CD2 4.46Å; R145-Y155 HydrophobicContact CG-CE2 4.14Å
146K93.6Very high95.6Very high121 Ų12156.3 Ų56.353%0.52626%0.258SS..Hα-helixtrans-119.6-32-162.6-68.5-63.5-169.9172.60115.3Y142 S143Y142-K146 HydrophobicContact CD1-CB 4.47Å; Y142-K146 HydrophobicContact CD2-CG 4.23Å; Y142-K146 HydrophobicContact CE1-CB 4.04Å; Y142-K146 HydrophobicContact CE1-CG 4.15Å; Y142-K146 HydrophobicContact CE2-CG 3.74Å; Y142-K146 PolarHBondContact O-N 2.94Å; S143-K146 PolarHBondContact O-N 3.29Å
147H90.5Very high95.6Very high9 Ų960.3 Ų60.34%0.04228%0.276CS..THydrogen-bonded Turntrans-110.3-38-174.3-52.6162.7000111.3E76 M80 H89 F92 Y142 S143E76-H147 WeakPolarHBondContact OE1-CB 3.47Å; E76-H147 IonicContact OE1-CG 2.66Å; E76-H147 IonicContact OE1-ND1 2.88Å; E76-H147 PolarHBondContact OE1-ND1 2.94Å; M80-H147 HydrophobicContact CE-CB 4Å; M80-H147 WeakPolarHBondContact CE-O 3.43Å; M80-H147 HydrophobicContact SD-CB 4.33Å; H89-H147 AromaticContact CD2-CD2 3.79Å; H89-H147 AromaticContact CD2-NE2 3.67Å; H89-H147 AromaticContact CE1-CD2 3.61Å; H89-H147 AromaticContact CG-CD2 3.72Å; H89-H147 AromaticContact CG-NE2 3.95Å; H89-H147 AromaticContact ND1-CD2 3.6Å; H89-H147 AromaticContact NE2-CD2 3.75Å; H89-H147 AromaticContact NE2-NE2 3.86Å; F92-H147 AromaticContact CD1-CE1 3.41Å; F92-H147 VanDerWaalsContact CD1-CE1 3.41Å; F92-H147 WeakPolarHBondContact CD1-CE1 3.49Å; F92-H147 AromaticContact CD1-ND1 3.67Å; F92-H147 AromaticContact CE1-CE1 3.89Å; F92-H147 AromaticContact CG-CE1 3.52Å; Y142-H147 AromaticContact CE1-CE1 3.73Å; Y142-H147 AromaticContact CE1-NE2 3.48Å; Y142-H147 WeakPolarHBondContact CE1-NE2 3.35Å; S143-H147 PolarHBondContact O-N 2.92Å; S143-H147 PolarHBondContact OG-ND1 3.49Å
148L90.5Very high95.6Very high14 Ų1460.1 Ų60.17%0.07327%0.274CS..SBendtrans-86.5172.2-177.5-56.2-178.4000112.1W72 E76 V79 S143 Y150 E224W72-L148 HydrophobicContact CZ2-CD1 3.83Å; E76-L148 HydrophobicContact CB-CD2 4.11Å; E76-L148 HydrophobicContact CG-CD2 3.92Å; V79-L148 HydrophobicContact CB-CD2 4.42Å; V79-L148 HydrophobicContact CG1-CD2 4.45Å; V79-L148 HydrophobicContact CG2-CD2 4.43Å; S143-L148 PolarHBondContact O-N 2.83Å; L148-Y150 PolarHBondContact O-N 2.8Å; L148-E224 HydrophobicContact CD1-CG 4.37Å
149E87.8Confident95.5Very high157 Ų15761.1 Ų61.173%0.73427%0.273SS*.  trans-61.5105.4168.9-66.3-175.1179.500109.9N151E149-N151 PolarHBondContact O-N 3.15Å; E149-N151 VanDerWaalsContact O-N 3.13Å
150Y88.1Confident95.5Very high98 Ų9864.4 Ų64.438%0.38429%0.29SS..  trans-64.1117.7-168.9177.2-120.3000112.3R145 L148 F152 Y155R145-Y150 HydrophobicContact CG-CE2 4.48Å; L148-Y150 PolarHBondContact O-N 2.8Å; Y150-F152 HydrophobicContact CE1-CB 4.37Å; Y150-F152 WeakPolarHBondContact OH-CD2 3.44Å; Y150-Y155 AromaticContact CE2-CD1 3.96Å; Y150-Y155 HydrophobicContact CE2-CD1 3.96Å; Y150-Y155 AromaticContact CE2-CG 3.9Å; Y150-Y155 HydrophobicContact CE2-CG 3.9Å
151N93.6Very high95.6Very high49 Ų4965 Ų6526%0.26229%0.293SS..  trans-117.4110.7170-174.5-38.9000109.8E149 K153 I154 Y155E149-N151 PolarHBondContact O-N 3.15Å; E149-N151 VanDerWaalsContact O-N 3.13Å; N151-K153 VanDerWaalsContact C-N 3.3Å; N151-K153 PolarHBondContact O-N 2.91Å; N151-K153 PolarHBondContact OD1-N 3.46Å; N151-K153 VanDerWaalsContact OD1-N 3.1Å; N151-I154 HydrophobicContact CB-CB 4.18Å; N151-I154 HydrophobicContact CB-CD1 3.94Å; N151-I154 HydrophobicContact CB-CG1 4.14Å; N151-I154 PolarHBondContact O-N 3.31Å; N151-I154 PolarHBondContact OD1-N 3.19Å; N151-Y155 WeakPolarHBondContact O-CB 3.3Å; N151-Y155 PolarHBondContact O-N 3.09Å
152F95.4Very high95.6Very high133 Ų13365.3 Ų65.358%0.58330%0.295SS*.Hα-helixtrans-54.1-43.5-176.7177.4-97.8000113Y150 I154 Y155 V156Y150-F152 HydrophobicContact CE1-CB 4.37Å; Y150-F152 WeakPolarHBondContact OH-CD2 3.44Å; F152-I154 PolarHBondContact O-N 2.63Å; F152-Y155 PolarHBondContact O-N 3.33Å; F152-V156 HydrophobicContact CD1-CG2 4.32Å; F152-V156 HydrophobicContact CD2-CG2 4.2Å; F152-V156 HydrophobicContact CE1-CG2 3.92Å; F152-V156 HydrophobicContact CE2-CG2 3.78Å; F152-V156 HydrophobicContact CG-CG2 4.46Å; F152-V156 HydrophobicContact CZ-CG2 3.63Å; F152-V156 WeakPolarHBondContact O-CB 3.2Å; F152-V156 WeakPolarHBondContact O-CG2 3.31Å; F152-V156 PolarHBondContact O-N 2.89Å
153K96.9Very high95.6Very high170 Ų17064.1 Ų64.174%0.73930%0.295SS*.Hα-helixtrans-65.4-43.7-176.5-64.8-178.6-179.71790111.2N151 F157N151-K153 VanDerWaalsContact C-N 3.3Å; N151-K153 PolarHBondContact O-N 2.91Å; N151-K153 PolarHBondContact OD1-N 3.46Å; N151-K153 VanDerWaalsContact OD1-N 3.1Å; K153-F157 VanDerWaalsContact O-CB 3.29Å; K153-F157 WeakPolarHBondContact O-CB 3.43Å; K153-F157 PolarHBondContact O-N 3.4Å
154I96.7Very high95.7Very high21 Ų2166 Ų6611%0.10831%0.308CS..Hα-helixtrans-69-43.3179.8-61.3178000110.5T144 N151 F152 F157 R158 F223T144-I154 HydrophobicContact CG2-CG2 4.08Å; N151-I154 HydrophobicContact CB-CB 4.18Å; N151-I154 HydrophobicContact CB-CD1 3.94Å; N151-I154 HydrophobicContact CB-CG1 4.14Å; N151-I154 PolarHBondContact O-N 3.31Å; N151-I154 PolarHBondContact OD1-N 3.19Å; F152-I154 PolarHBondContact O-N 2.63Å; I154-F157 PolarHBondContact O-N 3.11Å; I154-R158 HydrophobicContact CG2-CG 4.4Å; I154-R158 WeakPolarHBondContact O-CB 3.17Å; I154-R158 WeakPolarHBondContact O-CG 3.24Å; I154-R158 PolarHBondContact O-N 3.34Å; I154-F223 HydrophobicContact CD1-CB 3.76Å; I154-F223 HydrophobicContact CD1-CD1 3.06Å; I154-F223 HydrophobicContact CD1-CD2 3.41Å; I154-F223 VanDerWaalsContact CD1-CD2 3.41Å; I154-F223 HydrophobicContact CD1-CE1 3.34Å; I154-F223 HydrophobicContact CD1-CE2 3.66Å; I154-F223 HydrophobicContact CD1-CG 3.09Å; I154-F223 HydrophobicContact CD1-CZ 3.63Å; I154-F223 HydrophobicContact CG1-CG 4.45Å
155Y97.9Very high95.8Very high55 Ų5565.9 Ų65.922%0.21631%0.307CS..Hα-helixtrans-57.6-51.4176168.1-112.3000111.8T141 R145 Y150 N151 F152 F157 R158 L159T141-Y155 HydrophobicContact CG2-CD2 3.98Å; T141-Y155 HydrophobicContact CG2-CE2 3.85Å; R145-Y155 HydrophobicContact CB-CD2 3.73Å; R145-Y155 HydrophobicContact CB-CE2 3.67Å; R145-Y155 HydrophobicContact CB-CG 4.41Å; R145-Y155 HydrophobicContact CG-CD2 4.46Å; R145-Y155 HydrophobicContact CG-CE2 4.14Å; Y150-Y155 AromaticContact CE2-CD1 3.96Å; Y150-Y155 HydrophobicContact CE2-CD1 3.96Å; Y150-Y155 AromaticContact CE2-CG 3.9Å; Y150-Y155 HydrophobicContact CE2-CG 3.9Å; N151-Y155 WeakPolarHBondContact O-CB 3.3Å; N151-Y155 PolarHBondContact O-N 3.09Å; F152-Y155 PolarHBondContact O-N 3.33Å; Y155-F157 VanDerWaalsContact C-N 3.33Å; Y155-F157 PolarHBondContact O-N 2.77Å; Y155-R158 PolarHBondContact O-N 3.46Å; Y155-L159 WeakPolarHBondContact O-CB 3.49Å; Y155-L159 PolarHBondContact O-N 3.49Å
156V98.2Very high96Very high48 Ų4865.9 Ų65.929%0.29131%0.31SS..Hα-helixtrans-62.2-42.5179170.80000111F152 L159 I160F152-V156 HydrophobicContact CD1-CG2 4.32Å; F152-V156 HydrophobicContact CD2-CG2 4.2Å; F152-V156 HydrophobicContact CE1-CG2 3.92Å; F152-V156 HydrophobicContact CE2-CG2 3.78Å; F152-V156 HydrophobicContact CG-CG2 4.46Å; F152-V156 HydrophobicContact CZ-CG2 3.63Å; F152-V156 WeakPolarHBondContact O-CB 3.2Å; F152-V156 WeakPolarHBondContact O-CG2 3.31Å; F152-V156 PolarHBondContact O-N 2.89Å; V156-L159 PolarHBondContact O-N 2.98Å; V156-I160 HydrophobicContact CG1-CD1 3.91Å; V156-I160 WeakPolarHBondContact O-CG1 3.09Å; V156-I160 PolarHBondContact O-N 2.73Å
157F98.4Very high96.2Very high90 Ų9065.1 Ų65.140%0.39531%0.311SS..Hα-helixtrans-59.7-49.7177-179-116.1000112K153 I154 Y155 L159 I160 L161 L216K153-F157 VanDerWaalsContact O-CB 3.29Å; K153-F157 WeakPolarHBondContact O-CB 3.43Å; K153-F157 PolarHBondContact O-N 3.4Å; I154-F157 PolarHBondContact O-N 3.11Å; Y155-F157 VanDerWaalsContact C-N 3.33Å; Y155-F157 PolarHBondContact O-N 2.77Å; F157-L159 VanDerWaalsContact C-N 3.32Å; F157-L159 PolarHBondContact O-N 3.46Å; F157-I160 PolarHBondContact O-N 2.65Å; F157-L161 HydrophobicContact CD1-CD1 3.95Å; F157-L161 HydrophobicContact CE1-CD1 3.49Å; F157-L161 VanDerWaalsContact CE1-CD1 3.49Å; F157-L161 HydrophobicContact CE1-CG 4.37Å; F157-L161 HydrophobicContact CE2-CD1 4.24Å; F157-L161 HydrophobicContact CE2-CD2 4.38Å; F157-L161 HydrophobicContact CE2-CG 4.3Å; F157-L161 HydrophobicContact CZ-CD1 3.66Å; F157-L161 HydrophobicContact CZ-CD2 4.32Å; F157-L161 HydrophobicContact CZ-CG 4.19Å; F157-L161 WeakPolarHBondContact O-CG 3.48Å; F157-L161 PolarHBondContact O-N 3.39Å; F157-L216 HydrophobicContact CZ-CB 4.36Å
158R98.5Very high96.6Very high0 Ų064.8 Ų64.80%031%0.31CS..Hα-helixtrans-62.6-36.5176.7-76.2-175.4175.1153.710.1113.3T141 T144 I154 Y155 L161 T162 F217 S220 E224T141-R158 HydrophobicContact CG2-CB 4.09Å; T141-R158 WeakPolarHBondContact OG1-CB 3.16Å; T144-R158 WeakPolarHBondContact OG1-CD 3.41Å; T144-R158 PolarHBondContact OG1-NH1 2.82Å; I154-R158 HydrophobicContact CG2-CG 4.4Å; I154-R158 WeakPolarHBondContact O-CB 3.17Å; I154-R158 WeakPolarHBondContact O-CG 3.24Å; I154-R158 PolarHBondContact O-N 3.34Å; Y155-R158 PolarHBondContact O-N 3.46Å; R158-L161 PolarHBondContact O-N 3.28Å; R158-T162 WeakPolarHBondContact O-CB 3.39Å; R158-T162 PolarHBondContact O-N 2.98Å; R158-T162 PolarHBondContact O-OG1 3.5Å; R158-F217 HydrophobicContact CB-CD2 4.49Å; R158-F217 HydrophobicContact CB-CE2 3.76Å; R158-F217 HydrophobicContact CB-CZ 4.37Å; R158-F217 HydrophobicContact CG-CD2 4.38Å; R158-F217 HydrophobicContact CG-CE2 3.83Å; R158-F217 HydrophobicContact CG-CZ 4.18Å; R158-S220 WeakPolarHBondContact CG-OG 3.24Å; R158-S220 PolarHBondContact NE-OG 2.69Å; R158-S220 VanDerWaalsContact NH2-C 3.26Å; R158-S220 PolarHBondContact NH2-O 2.96Å; R158-S220 PolarHBondContact NH2-OG 3.25Å; R158-E224 IonicContact CZ-OE1 3.72Å; R158-E224 IonicContact CZ-OE2 3.54Å; R158-E224 IonicContact NH1-OE1 3.87Å; R158-E224 PolarHBondContact NH1-OE1 2.67Å; R158-E224 IonicContact NH1-OE2 3.18Å; R158-E224 IonicContact NH2-OE1 3.85Å; R158-E224 PolarHBondContact NH2-OE1 3.22Å; R158-E224 IonicContact NH2-OE2 2.71Å; R158-E224 PolarHBondContact NH2-OE2 3.15Å
159L98.5Very high96.9Very high65 Ų6564.8 Ų64.834%0.3431%0.31SS..Hα-helixtrans-63.6-45.8175.5-177.963.1000111.2T141 Y155 V156 F157 T162 I163T141-L159 HydrophobicContact CG2-CB 4.08Å; T141-L159 HydrophobicContact CG2-CD1 4.39Å; Y155-L159 WeakPolarHBondContact O-CB 3.49Å; Y155-L159 PolarHBondContact O-N 3.49Å; V156-L159 PolarHBondContact O-N 2.98Å; F157-L159 VanDerWaalsContact C-N 3.32Å; F157-L159 PolarHBondContact O-N 3.46Å; L159-T162 PolarHBondContact O-N 3.08Å; L159-I163 HydrophobicContact CD1-CD1 4.19Å; L159-I163 HydrophobicContact CG-CD1 4.07Å; L159-I163 WeakPolarHBondContact O-CG1 3.25Å; L159-I163 PolarHBondContact O-N 3.4Å
160I98.7Very high97.4Very high102 Ų10260.5 Ų60.552%0.52329%0.292SS..Hα-helixtrans-60.4-47.2175.9-68.4166000110.5V156 F157 T162 I163 C164V156-I160 HydrophobicContact CG1-CD1 3.91Å; V156-I160 WeakPolarHBondContact O-CG1 3.09Å; V156-I160 PolarHBondContact O-N 2.73Å; F157-I160 PolarHBondContact O-N 2.65Å; I160-T162 VanDerWaalsContact C-N 3.34Å; I160-T162 PolarHBondContact O-N 3.12Å; I160-I163 PolarHBondContact O-N 3.09Å; I160-C164 VanDerWaalsContact O-CB 3.3Å; I160-C164 WeakPolarHBondContact O-CB 3.35Å; I160-C164 PolarHBondContact O-N 2.74Å
161L98.7Very high97.9Very high11 Ų1156.1 Ų56.16%0.05828%0.276CS..Hα-helixtrans-61.9-41.1177.7-67.3178.5000111.9F157 R158 I163 C164 G165 T213 L216 F217F157-L161 HydrophobicContact CD1-CD1 3.95Å; F157-L161 HydrophobicContact CE1-CD1 3.49Å; F157-L161 VanDerWaalsContact CE1-CD1 3.49Å; F157-L161 HydrophobicContact CE1-CG 4.37Å; F157-L161 HydrophobicContact CE2-CD1 4.24Å; F157-L161 HydrophobicContact CE2-CD2 4.38Å; F157-L161 HydrophobicContact CE2-CG 4.3Å; F157-L161 HydrophobicContact CZ-CD1 3.66Å; F157-L161 HydrophobicContact CZ-CD2 4.32Å; F157-L161 HydrophobicContact CZ-CG 4.19Å; F157-L161 WeakPolarHBondContact O-CG 3.48Å; F157-L161 PolarHBondContact O-N 3.39Å; R158-L161 PolarHBondContact O-N 3.28Å; L161-I163 PolarHBondContact O-N 2.94Å; L161-C164 PolarHBondContact O-N 3.34Å; L161-G165 PolarHBondContact O-N 3.24Å; L161-T213 HydrophobicContact CB-CG2 3.93Å; L161-T213 HydrophobicContact CD2-CG2 3.97Å; L161-T213 WeakPolarHBondContact O-CG2 3.46Å; L161-L216 HydrophobicContact CD1-CB 3.83Å; L161-L216 HydrophobicContact CD2-CB 3.87Å; L161-L216 HydrophobicContact CD2-CD1 3.97Å; L161-F217 HydrophobicContact CB-CD2 4.01Å; L161-F217 HydrophobicContact CD1-CB 4.16Å; L161-F217 HydrophobicContact CD1-CD2 4.26Å
162T98.7Very high98Very high14 Ų1454.7 Ų54.79%0.08627%0.269CS..Hα-helixtrans-63.5-43.4178.2-60.30000111.3S137 A138 T141 R158 L159 I160 G165 F166S137-T162 PolarHBondContact O-OG1 2.94Å; A138-T162 HydrophobicContact CB-CG2 3.8Å; T141-T162 PolarHBondContact OG1-OG1 3.44Å; T141-T162 VanDerWaalsContact OG1-OG1 3.11Å; R158-T162 WeakPolarHBondContact O-CB 3.39Å; R158-T162 PolarHBondContact O-N 2.98Å; R158-T162 PolarHBondContact O-OG1 3.5Å; L159-T162 PolarHBondContact O-N 3.08Å; I160-T162 VanDerWaalsContact C-N 3.34Å; I160-T162 PolarHBondContact O-N 3.12Å; T162-G165 PolarHBondContact O-N 3.43Å; T162-F166 WeakPolarHBondContact O-CB 3.14Å; T162-F166 PolarHBondContact O-N 2.9Å
163I98.7Very high97.9Very high89 Ų8952 Ų5246%0.45626%0.257SS..Hα-helixtrans-65.1-45.2176.4-66.9166.8000110.5L159 I160 L161 G165 F166 L167L159-I163 HydrophobicContact CD1-CD1 4.19Å; L159-I163 HydrophobicContact CG-CD1 4.07Å; L159-I163 WeakPolarHBondContact O-CG1 3.25Å; L159-I163 PolarHBondContact O-N 3.4Å; I160-I163 PolarHBondContact O-N 3.09Å; L161-I163 PolarHBondContact O-N 2.94Å; I163-G165 PolarHBondContact O-N 3.03Å; I163-F166 PolarHBondContact O-N 3.47Å; I163-L167 HydrophobicContact CG2-CD1 4.03Å; I163-L167 HydrophobicContact CG2-CG 4.42Å; I163-L167 WeakPolarHBondContact O-CG 3.43Å; I163-L167 PolarHBondContact O-N 3.14Å
164C98.7Very high97.9Very high38 Ų3848.1 Ų48.126%0.25724%0.244SC..Hα-helixtrans-59.1-47.8177.1-174.50000111.4I160 L161 F166 L167 A168 T213I160-C164 VanDerWaalsContact O-CB 3.3Å; I160-C164 WeakPolarHBondContact O-CB 3.35Å; I160-C164 PolarHBondContact O-N 2.74Å; L161-C164 PolarHBondContact O-N 3.34Å; C164-F166 PolarHBondContact O-N 3.39Å; C164-L167 PolarHBondContact O-N 3.17Å; C164-A168 VanDerWaalsContact O-CB 3.25Å; C164-A168 WeakPolarHBondContact O-CB 3.41Å; C164-A168 PolarHBondContact O-N 3.41Å; C164-T213 HydrophobicContact CB-CG2 4.08Å; C164-T213 PolarHBondContact SG-OG1 3.21Å; C164-T213 VanDerWaalsContact SG-OG1 3.41Å
165G98.5Very high97.9Very high0 Ų049.4 Ų49.40%025%0.249CC..Hα-helixtrans-63.5-39.817800000112.3L161 T162 I163 N169L161-G165 PolarHBondContact O-N 3.24Å; T162-G165 PolarHBondContact O-N 3.43Å; I163-G165 PolarHBondContact O-N 3.03Å; G165-N169 VanDerWaalsContact O-CB 3.26Å; G165-N169 WeakPolarHBondContact O-CB 3.45Å; G165-N169 PolarHBondContact O-N 2.8Å
166F98.6Very high97.6Very high99 Ų9947.7 Ų47.743%0.43425%0.248SC..Hα-helixtrans-62.4-48.6174.4175.1-109.7000112.4V134 T162 I163 C164 N169 L170V134-F166 HydrophobicContact CG1-CB 3.8Å; V134-F166 HydrophobicContact CG1-CD2 4.08Å; V134-F166 HydrophobicContact CG1-CG 4.42Å; T162-F166 WeakPolarHBondContact O-CB 3.14Å; T162-F166 PolarHBondContact O-N 2.9Å; I163-F166 PolarHBondContact O-N 3.47Å; C164-F166 PolarHBondContact O-N 3.39Å; F166-N169 PolarHBondContact O-N 3.01Å; F166-L170 HydrophobicContact CD1-CD1 4.27Å; F166-L170 HydrophobicContact CE1-CD1 3.61Å; F166-L170 HydrophobicContact CE1-CG 4.42Å; F166-L170 HydrophobicContact CE2-CD1 4.14Å; F166-L170 HydrophobicContact CE2-CD2 4.46Å; F166-L170 HydrophobicContact CE2-CG 4.21Å; F166-L170 HydrophobicContact CZ-CD1 3.55Å; F166-L170 HydrophobicContact CZ-CG 4.12Å; F166-L170 WeakPolarHBondContact O-CG 3.44Å; F166-L170 PolarHBondContact O-N 2.88Å
167L98.6Very high97.3Very high105 Ų10552.8 Ų52.855%0.5527%0.268SS..Hα-helixtrans-65.2-40.4179.1-68.2176.2000111.8I163 C164 L170 G171I163-L167 HydrophobicContact CG2-CD1 4.03Å; I163-L167 HydrophobicContact CG2-CG 4.42Å; I163-L167 WeakPolarHBondContact O-CG 3.43Å; I163-L167 PolarHBondContact O-N 3.14Å; C164-L167 PolarHBondContact O-N 3.17Å; L167-L170 PolarHBondContact O-N 3.44Å; L167-G171 PolarHBondContact O-N 3.35Å
168A98.4Very high97Very high2 Ų252.5 Ų52.52%0.01727%0.27CS..Hα-helixtrans-64.5-43.5175.400000111.3C164 L170 G171 V172 C206 L209 M210C164-A168 VanDerWaalsContact O-CB 3.25Å; C164-A168 WeakPolarHBondContact O-CB 3.41Å; C164-A168 PolarHBondContact O-N 3.41Å; A168-L170 PolarHBondContact O-N 3.09Å; A168-G171 WeakPolarHBondContact O-CA 3.43Å; A168-G171 PolarHBondContact O-N 2.89Å; A168-G171 VanDerWaalsContact O-N 3.09Å; A168-V172 PolarHBondContact O-N 3.32Å; A168-C206 WeakPolarHBondContact O-CB 3.43Å; A168-L209 HydrophobicContact CB-CB 4.44Å; A168-L209 HydrophobicContact CB-CD2 4.27Å; A168-L209 HydrophobicContact CB-CG 4.27Å; A168-M210 HydrophobicContact CB-CB 3.72Å
169N97.9Very high96.7Very high15 Ų1553 Ų538%0.0827%0.274CS..Hα-helixtrans-57.3-47.5173.6-177.478.6000111.8F130 V134 G165 F166 G171 V172 F173 M210F130-N169 WeakPolarHBondContact CB-OD1 3.2Å; V134-N169 HydrophobicContact CG2-CB 4.13Å; G165-N169 VanDerWaalsContact O-CB 3.26Å; G165-N169 WeakPolarHBondContact O-CB 3.45Å; G165-N169 PolarHBondContact O-N 2.8Å; F166-N169 PolarHBondContact O-N 3.01Å; N169-G171 VanDerWaalsContact C-N 3.3Å; N169-G171 PolarHBondContact O-N 3.07Å; N169-V172 PolarHBondContact O-N 3.32Å; N169-F173 WeakPolarHBondContact O-CD2 3.14Å; N169-F173 PolarHBondContact O-N 3.24Å; N169-M210 VanDerWaalsContact CA-SD 3.53Å; N169-M210 HydrophobicContact CB-SD 3.5Å; N169-M210 VanDerWaalsContact CB-SD 3.5Å
170L97.8Very high96Very high66 Ų6651.8 Ų51.835%0.34628%0.277SS..Hα-helixtrans-60.8-41.1174.4-70.8-177.7000111.9F166 L167 A168 V172 F173 I174F166-L170 HydrophobicContact CD1-CD1 4.27Å; F166-L170 HydrophobicContact CE1-CD1 3.61Å; F166-L170 HydrophobicContact CE1-CG 4.42Å; F166-L170 HydrophobicContact CE2-CD1 4.14Å; F166-L170 HydrophobicContact CE2-CD2 4.46Å; F166-L170 HydrophobicContact CE2-CG 4.21Å; F166-L170 HydrophobicContact CZ-CD1 3.55Å; F166-L170 HydrophobicContact CZ-CG 4.12Å; F166-L170 WeakPolarHBondContact O-CG 3.44Å; F166-L170 PolarHBondContact O-N 2.88Å; L167-L170 PolarHBondContact O-N 3.44Å; A168-L170 PolarHBondContact O-N 3.09Å; L170-V172 PolarHBondContact O-N 3.4Å; L170-F173 PolarHBondContact O-N 2.98Å; L170-I174 HydrophobicContact CB-CD1 4.22Å; L170-I174 WeakPolarHBondContact O-CB 3.3Å; L170-I174 VanDerWaalsContact O-CG1 3.26Å; L170-I174 WeakPolarHBondContact O-CG1 3.34Å; L170-I174 PolarHBondContact O-N 3.44Å
171G97.9Very high94.6Very high6 Ų653.8 Ų53.86%0.06228%0.284CS..Hα-helixtrans-57.6-44177.900000112.9L167 A168 N169 F173 I174 F175L167-G171 PolarHBondContact O-N 3.35Å; A168-G171 WeakPolarHBondContact O-CA 3.43Å; A168-G171 PolarHBondContact O-N 2.89Å; A168-G171 VanDerWaalsContact O-N 3.09Å; N169-G171 VanDerWaalsContact C-N 3.3Å; N169-G171 PolarHBondContact O-N 3.07Å; G171-F173 PolarHBondContact O-N 3.49Å; G171-I174 PolarHBondContact O-N 3.3Å; G171-F175 VanDerWaalsContact O-CB 3.31Å; G171-F175 WeakPolarHBondContact O-CB 3.37Å; G171-F175 WeakPolarHBondContact O-CD2 3.28Å; G171-F175 WeakPolarHBondContact O-CG 3.43Å; G171-F175 PolarHBondContact O-N 2.89Å
172V96.3Very high92.9Very high19 Ų1957.9 Ų57.912%0.11531%0.305CS..Hα-helixtrans-55.5-50175.8175.30000110.9A168 N169 L170 G176 S203 C206 E207 M210A168-V172 PolarHBondContact O-N 3.32Å; N169-V172 PolarHBondContact O-N 3.32Å; L170-V172 PolarHBondContact O-N 3.4Å; V172-G176 WeakPolarHBondContact O-CA 3.47Å; V172-G176 PolarHBondContact O-N 3.17Å; V172-S203 WeakPolarHBondContact CA-OG 3.44Å; V172-S203 PolarHBondContact O-OG 3.01Å; V172-C206 HydrophobicContact CG2-CB 3.72Å; V172-E207 HydrophobicContact CG2-CB 3.91Å; V172-E207 VanDerWaalsContact CG2-N 3.35Å; V172-M210 HydrophobicContact CG2-CE 3.97Å
173F93.3Very high91Very high76 Ų7663 Ų6333%0.33333%0.328SS..Hα-helixtrans-74-39.6-176.9-65.2-69.4000113.2M127 N169 L170 G171 H177M127-F173 HydrophobicContact CG-CE1 4.37Å; M127-F173 HydrophobicContact CG-CZ 4.1Å; M127-F173 HydrophobicContact SD-CD1 4.37Å; M127-F173 HydrophobicContact SD-CD2 4.29Å; M127-F173 HydrophobicContact SD-CE1 3.53Å; M127-F173 VanDerWaalsContact SD-CE1 3.53Å; M127-F173 HydrophobicContact SD-CE2 3.45Å; M127-F173 WeakPolarHBondContact SD-CE2 3.11Å; M127-F173 HydrophobicContact SD-CZ 3.03Å; M127-F173 WeakPolarHBondContact SD-CZ 3.35Å; N169-F173 WeakPolarHBondContact O-CD2 3.14Å; N169-F173 PolarHBondContact O-N 3.24Å; L170-F173 PolarHBondContact O-N 2.98Å; G171-F173 PolarHBondContact O-N 3.49Å; F173-H177 VanDerWaalsContact O-CB 3.28Å; F173-H177 WeakPolarHBondContact O-CB 3.41Å; F173-H177 PolarHBondContact O-N 3.39Å
174I96.4Very high89.4Confident89 Ų8961.2 Ų61.246%0.45633%0.331SS..Hα-helixtrans-67.3-53.3-179.6-68.3168.9000110.2L170 G171 H177 L178L170-I174 HydrophobicContact CB-CD1 4.22Å; L170-I174 WeakPolarHBondContact O-CB 3.3Å; L170-I174 VanDerWaalsContact O-CG1 3.26Å; L170-I174 WeakPolarHBondContact O-CG1 3.34Å; L170-I174 PolarHBondContact O-N 3.44Å; G171-I174 PolarHBondContact O-N 3.3Å; I174-H177 PolarHBondContact O-N 2.99Å; I174-L178 HydrophobicContact CG2-CD1 3.96Å; I174-L178 VanDerWaalsContact O-CG 3.28Å; I174-L178 WeakPolarHBondContact O-CG 3.42Å; I174-L178 PolarHBondContact O-N 3.49Å
175F96.2Very high87.9Confident49 Ų4965 Ų6522%0.21536%0.355CS..Hα-helixtrans-72.3-34-178.7-59.1-51.6000111.7G171 H177 L178 S179 Y199 M202G171-F175 VanDerWaalsContact O-CB 3.31Å; G171-F175 WeakPolarHBondContact O-CB 3.37Å; G171-F175 WeakPolarHBondContact O-CD2 3.28Å; G171-F175 WeakPolarHBondContact O-CG 3.43Å; G171-F175 PolarHBondContact O-N 2.89Å; F175-H177 VanDerWaalsContact C-N 3.34Å; F175-H177 PolarHBondContact O-N 3.24Å; F175-L178 HydrophobicContact CD1-CD1 4.3Å; F175-L178 PolarHBondContact O-N 2.89Å; F175-S179 PolarHBondContact O-N 3.44Å; F175-Y199 WeakPolarHBondContact CB-O 3.45Å; F175-Y199 HydrophobicContact CD1-CD1 4.02Å; F175-Y199 WeakPolarHBondContact O-CB 3.43Å; F175-M202 HydrophobicContact CB-CB 4.14Å; F175-M202 HydrophobicContact CD1-CB 4.35Å; F175-M202 HydrophobicContact CD1-CE 4.1Å; F175-M202 HydrophobicContact CD1-SD 4.39Å; F175-M202 HydrophobicContact CD2-CB 3.82Å; F175-M202 HydrophobicContact CD2-CE 4.34Å; F175-M202 HydrophobicContact CE1-CE 3.51Å; F175-M202 HydrophobicContact CE1-SD 4.29Å; F175-M202 HydrophobicContact CE2-CB 4.33Å; F175-M202 HydrophobicContact CE2-CE 3.8Å; F175-M202 HydrophobicContact CG-CB 3.86Å; F175-M202 HydrophobicContact CZ-CE 3.35Å
176G92.5Very high86.7Confident18 Ų1867.4 Ų67.419%0.18637%0.365CS..Hα-helixtrans-56.9-46.9170.800000111.7V172 S179 S203V172-G176 WeakPolarHBondContact O-CA 3.47Å; V172-G176 PolarHBondContact O-N 3.17Å; G176-S179 PolarHBondContact O-N 3.47Å; G176-S179 PolarHBondContact O-OG 3.49Å; G176-S203 PolarHBondContact N-OG 3.47Å
177H91.3Very high85.5Confident156 Ų15663.3 Ų63.372%0.72235%0.349SS*.Hα-helixtrans-65.1-44175.3-177.468.7000112.9F173 I174 F175 S179 G180F173-H177 VanDerWaalsContact O-CB 3.28Å; F173-H177 WeakPolarHBondContact O-CB 3.41Å; F173-H177 PolarHBondContact O-N 3.39Å; I174-H177 PolarHBondContact O-N 2.99Å; F175-H177 VanDerWaalsContact C-N 3.34Å; F175-H177 PolarHBondContact O-N 3.24Å; H177-S179 PolarHBondContact O-N 3.03Å; H177-G180 PolarHBondContact O-N 2.91Å; H177-G180 VanDerWaalsContact O-N 3.15Å
178L93.9Very high84.4Confident83 Ų8360.9 Ų60.944%0.43533%0.332SS..Hα-helixtrans-66.5-20.7178.8-70.2174.2000113.6I174 F175 G180 Y199I174-L178 HydrophobicContact CG2-CD1 3.96Å; I174-L178 VanDerWaalsContact O-CG 3.28Å; I174-L178 WeakPolarHBondContact O-CG 3.42Å; I174-L178 PolarHBondContact O-N 3.49Å; F175-L178 HydrophobicContact CD1-CD1 4.3Å; F175-L178 PolarHBondContact O-N 2.89Å; L178-G180 PolarHBondContact O-N 2.84Å; L178-Y199 HydrophobicContact CB-CD1 3.94Å; L178-Y199 HydrophobicContact CB-CD2 3.98Å; L178-Y199 HydrophobicContact CB-CE1 4.3Å; L178-Y199 HydrophobicContact CB-CE2 4.33Å; L178-Y199 HydrophobicContact CB-CG 3.77Å; L178-Y199 HydrophobicContact CD1-CD1 4.19Å; L178-Y199 HydrophobicContact CD1-CE1 4.03Å; L178-Y199 WeakPolarHBondContact O-CD2 3.41Å
179S90.4Very high83.5Confident12 Ų1266.1 Ų66.18%0.08436%0.355CS..THydrogen-bonded Turntrans-65.5-15.1174.177.70000113.1F175 G176 H177 W190 G196F175-S179 PolarHBondContact O-N 3.44Å; G176-S179 PolarHBondContact O-N 3.47Å; G176-S179 PolarHBondContact O-OG 3.49Å; H177-S179 PolarHBondContact O-N 3.03Å; S179-W190 VanDerWaalsContact O-CH2 3.28Å; S179-W190 WeakPolarHBondContact O-CH2 3.24Å; S179-G196 WeakPolarHBondContact O-CA 3.27Å
180G83.9Confident82.7Confident39 Ų3966.6 Ų66.640%0.40236%0.355SS..  trans95.6-175.8176.700000113.1H177 L178H177-G180 PolarHBondContact O-N 2.91Å; H177-G180 VanDerWaalsContact O-N 3.15Å; L178-G180 PolarHBondContact O-N 2.84Å
181E70.1Confident82Confident143 Ų14367.4 Ų67.467%0.66836%0.36SS*.  trans-64.8138.9-176.4-70.4-168.9175.900112.1H183 R188E181-H183 PolarHBondContact O-N 3.26Å; E181-H183 IonicContact OE2-CE1 3.11Å; E181-H183 PolarHBondContact OE2-CE1 2.84Å; E181-H183 IonicContact OE2-NE2 3.4Å; E181-H183 PolarHBondContact OE2-NE2 2.91Å; E181-R188 PolarHBondContact O-NH1 3.41Å; E181-R188 VanDerWaalsContact O-NH1 3.13Å
182I63Low81.5Confident97 Ų9771.8 Ų71.850%0.49739%0.387SS..  trans-8088.4178.7-46168.4000108.3F186I182-F186 HydrophobicContact CB-CZ 4Å; I182-F186 HydrophobicContact CD1-CE1 4.3Å; I182-F186 HydrophobicContact CD1-CZ 3.92Å; I182-F186 HydrophobicContact CG1-CZ 4.48Å; I182-F186 HydrophobicContact CG2-CD1 4.33Å; I182-F186 HydrophobicContact CG2-CE1 3.4Å; I182-F186 HydrophobicContact CG2-CE2 3.78Å; I182-F186 HydrophobicContact CG2-CZ 3.08Å
183H59Low81.1Confident123 Ų12375.7 Ų75.757%0.56942%0.416SS*.  trans-96.1141.4171.7-61.5-52.2000111E181E181-H183 PolarHBondContact O-N 3.26Å; E181-H183 IonicContact OE2-CE1 3.11Å; E181-H183 PolarHBondContact OE2-CE1 2.84Å; E181-H183 IonicContact OE2-NE2 3.4Å; E181-H183 PolarHBondContact OE2-NE2 2.91Å
184G64.3Low80.7Confident50 Ų5075 Ų7552%0.51541%0.413SS..SBendtrans99.2174.217400000114.4
185P68.2Low80.3Confident117 Ų11777.7 Ų77.776%0.7644%0.435SS*.SBendtrans-68143176.629.5-33.5000110.6
186F72.7Confident79.9Confident51 Ų5175.5 Ų75.522%0.22443%0.426CS..SBendtrans-88.6152.4171.2-71.1-92.3000110.9E115 A116 I119 I182E115-F186 WeakPolarHBondContact OE1-CD1 3.43Å; A116-F186 HydrophobicContact CB-CB 3.8Å; A116-F186 WeakPolarHBondContact CB-O 3.28Å; I119-F186 HydrophobicContact CD1-CE1 4.34Å; I119-F186 HydrophobicContact CD1-CZ 4.21Å; I119-F186 HydrophobicContact CG1-CZ 4.19Å; I182-F186 HydrophobicContact CB-CZ 4Å; I182-F186 HydrophobicContact CD1-CE1 4.3Å; I182-F186 HydrophobicContact CD1-CZ 3.92Å; I182-F186 HydrophobicContact CG1-CZ 4.48Å; I182-F186 HydrophobicContact CG2-CD1 4.33Å; I182-F186 HydrophobicContact CG2-CE1 3.4Å; I182-F186 HydrophobicContact CG2-CE2 3.78Å; I182-F186 HydrophobicContact CG2-CZ 3.08Å
187P74.3Confident79.8Confident14 Ų1477 Ų779%0.09143%0.427CS..SBendcis-69.5133.5-9.529.6-33.2000110.3D43 A46 L47 K189D43-P187 HydrophobicContact CB-CB 3.84Å; D43-P187 WeakPolarHBondContact OD1-CB 3.32Å; A46-P187 HydrophobicContact CB-CB 4.1Å; A46-P187 HydrophobicContact CB-CG 3.92Å; L47-P187 HydrophobicContact CD1-CG 4.43Å; L47-P187 HydrophobicContact CG-CG 4.45Å; P187-K189 PolarHBondContact O-N 3.36Å
188R74.5Confident79.9Confident53 Ų5377.4 Ų77.420%0.243%0.427CS..PPolyproline II helixtrans-78.6121.4-177.9177.3-179.6174.3176.4-0.8109.1E181 W190 E194E181-R188 PolarHBondContact O-NH1 3.41Å; E181-R188 VanDerWaalsContact O-NH1 3.13Å; R188-W190 PolarHBondContact O-N 2.72Å; R188-E194 IonicContact CZ-OE2 3.51Å; R188-E194 IonicContact NE-OE2 3.66Å; R188-E194 IonicContact NH2-OE2 2.66Å; R188-E194 PolarHBondContact NH2-OE2 3.32Å
189K79Confident79.9Confident113 Ų11378.1 Ų78.149%0.49142%0.424SS..  trans-83.3112168.4-64.8-177.8-173.4171.60109.9H32 H33 P187H32-K189 WeakPolarHBondContact O-CE 3.5Å; H32-K189 PolarHBondContact O-NZ 2.86Å; H33-K189 VanDerWaalsContact O-CE 3.3Å; H33-K189 WeakPolarHBondContact O-CE 3.33Å; P187-K189 PolarHBondContact O-N 3.36Å
190W81.9Confident79.9Confident24 Ų2477.8 Ų77.89%0.09142%0.421CS..  trans-81.7127179.8-66.474.2000111.1S179 R188 E194 F197 H200S179-W190 VanDerWaalsContact O-CH2 3.28Å; S179-W190 WeakPolarHBondContact O-CH2 3.24Å; R188-W190 PolarHBondContact O-N 2.72Å; W190-E194 HydrophobicContact CE3-CB 4.47Å; W190-F197 HydrophobicContact CB-CD2 3.68Å; W190-F197 HydrophobicContact CB-CE2 4.29Å; W190-H200 AromaticContact CD1-CD2 3.27Å; W190-H200 AromaticContact CD1-CE1 3.45Å; W190-H200 VanDerWaalsContact CD1-CE1 3.45Å; W190-H200 AromaticContact CD1-CG 3.51Å; W190-H200 AromaticContact CD1-ND1 3.62Å; W190-H200 AromaticContact CD1-NE2 3.22Å; W190-H200 HydrophobicContact CD2-CB 3.86Å; W190-H200 AromaticContact CD2-CG 3.81Å; W190-H200 AromaticContact CE2-CG 3.58Å; W190-H200 AromaticContact CE2-ND1 3.67Å; W190-H200 HydrophobicContact CE3-CB 4.22Å; W190-H200 HydrophobicContact CG-CB 4.25Å; W190-H200 AromaticContact CG-CD2 3.52Å; W190-H200 AromaticContact CG-CG 3.77Å; W190-H200 AromaticContact CG-NE2 3.93Å; W190-H200 HydrophobicContact CH2-CB 4.42Å; W190-H200 HydrophobicContact CZ2-CB 4.08Å; W190-H200 HydrophobicContact CZ3-CB 4.49Å; W190-H200 AromaticContact NE1-CD2 3.69Å; W190-H200 AromaticContact NE1-CE1 3.36Å; W190-H200 PolarHBondContact NE1-CE1 3.26Å; W190-H200 AromaticContact NE1-CG 3.41Å; W190-H200 AromaticContact NE1-ND1 3.2Å; W190-H200 PolarHBondContact NE1-ND1 3.03Å; W190-H200 VanDerWaalsContact NE1-ND1 3.2Å; W190-H200 AromaticContact NE1-NE2 3.65Å
191D83.2Confident80.4Confident83 Ų8377.4 Ų77.444%0.44441%0.412SS..  trans-76.7133.4169.2-172.4-59.4000109.8S193 E194D191-S193 VanDerWaalsContact CG-OG 3.3Å; D191-S193 PolarHBondContact O-N 3.35Å; D191-S193 VanDerWaalsContact OD1-CB 3.25Å; D191-S193 WeakPolarHBondContact OD1-CB 3.41Å; D191-S193 PolarHBondContact OD1-N 3.48Å; D191-S193 PolarHBondContact OD1-OG 3.16Å; D191-E194 HydrophobicContact CB-CG 4.09Å; D191-E194 WeakPolarHBondContact CB-OE1 3.37Å; D191-E194 PolarHBondContact N-OE1 2.83Å; D191-E194 VanDerWaalsContact O-CB 3.3Å; D191-E194 WeakPolarHBondContact O-CB 3.44Å; D191-E194 PolarHBondContact O-N 2.63Å
192P87.1Confident81.6Confident98 Ų9874.6 Ų74.664%0.63640%0.399SS*.THydrogen-bonded Turntrans-54.6-19.9176.6-27.935.8000116E194 F197P192-E194 VanDerWaalsContact C-N 3.34Å; P192-F197 HydrophobicContact CB-CD1 4.33Å; P192-F197 HydrophobicContact CB-CD2 4.5Å; P192-F197 HydrophobicContact CB-CE1 4.18Å; P192-F197 HydrophobicContact CB-CE2 4.38Å; P192-F197 HydrophobicContact CB-CG 4.5Å; P192-F197 HydrophobicContact CB-CZ 4.22Å; P192-F197 HydrophobicContact CG-CD2 4.45Å; P192-F197 HydrophobicContact CG-CE1 4.41Å; P192-F197 HydrophobicContact CG-CE2 3.97Å; P192-F197 HydrophobicContact CG-CZ 3.95Å
193S87Confident83.1Confident102 Ų10270 Ų7071%0.71338%0.376SS*.THydrogen-bonded Turntrans-78.7-13.5174.965.80000113.9D191D191-S193 VanDerWaalsContact CG-OG 3.3Å; D191-S193 PolarHBondContact O-N 3.35Å; D191-S193 VanDerWaalsContact OD1-CB 3.25Å; D191-S193 WeakPolarHBondContact OD1-CB 3.41Å; D191-S193 PolarHBondContact OD1-N 3.48Å; D191-S193 PolarHBondContact OD1-OG 3.16Å
194E86.4Confident84.8Confident60 Ų6064.1 Ų64.128%0.2835%0.349SS..SBendtrans-71.9140177.9-67.3173.8-141.900111.7R188 W190 D191 P192 G196 F197R188-E194 IonicContact CZ-OE2 3.51Å; R188-E194 IonicContact NE-OE2 3.66Å; R188-E194 IonicContact NH2-OE2 2.66Å; R188-E194 PolarHBondContact NH2-OE2 3.32Å; W190-E194 HydrophobicContact CE3-CB 4.47Å; D191-E194 HydrophobicContact CB-CG 4.09Å; D191-E194 WeakPolarHBondContact CB-OE1 3.37Å; D191-E194 PolarHBondContact N-OE1 2.83Å; D191-E194 VanDerWaalsContact O-CB 3.3Å; D191-E194 WeakPolarHBondContact O-CB 3.44Å; D191-E194 PolarHBondContact O-N 2.63Å; P192-E194 VanDerWaalsContact C-N 3.34Å; E194-G196 PolarHBondContact O-N 2.82Å; E194-G196 VanDerWaalsContact O-N 3.16Å; E194-F197 WeakPolarHBondContact O-CB 3.48Å; E194-F197 PolarHBondContact O-N 3.09Å; E194-F197 VanDerWaalsContact O-N 3.12Å
195T86.8Confident86.4Confident147 Ų14766.4 Ų66.490%0.90234%0.344SS*.THydrogen-bonded Turntrans-59.6-31.2-176.449.60000113.5
196G89.2Confident87.8Confident3 Ų361.4 Ų61.43%0.03131%0.312CS..THydrogen-bonded Turntrans-87.2-9.3-179.700000115.5S179 E194 K198 Y199 H200S179-G196 WeakPolarHBondContact O-CA 3.27Å; E194-G196 PolarHBondContact O-N 2.82Å; E194-G196 VanDerWaalsContact O-N 3.16Å; G196-K198 VanDerWaalsContact C-N 3.33Å; G196-K198 PolarHBondContact O-N 2.94Å; G196-Y199 PolarHBondContact O-N 2.99Å; G196-Y199 VanDerWaalsContact O-N 3.08Å; G196-H200 PolarHBondContact O-N 3.17Å
197F89.7Confident89Confident48 Ų4859.7 Ų59.721%0.21131%0.305CS..Hα-helixtrans-54.1-45.7-171.1175.4-94.9000113W190 P192 E194 Y199 H200 V201W190-F197 HydrophobicContact CB-CD2 3.68Å; W190-F197 HydrophobicContact CB-CE2 4.29Å; P192-F197 HydrophobicContact CB-CD1 4.33Å; P192-F197 HydrophobicContact CB-CD2 4.5Å; P192-F197 HydrophobicContact CB-CE1 4.18Å; P192-F197 HydrophobicContact CB-CE2 4.38Å; P192-F197 HydrophobicContact CB-CG 4.5Å; P192-F197 HydrophobicContact CB-CZ 4.22Å; P192-F197 HydrophobicContact CG-CD2 4.45Å; P192-F197 HydrophobicContact CG-CE1 4.41Å; P192-F197 HydrophobicContact CG-CE2 3.97Å; P192-F197 HydrophobicContact CG-CZ 3.95Å; E194-F197 WeakPolarHBondContact O-CB 3.48Å; E194-F197 PolarHBondContact O-N 3.09Å; E194-F197 VanDerWaalsContact O-N 3.12Å; F197-Y199 VanDerWaalsContact C-N 3.34Å; F197-Y199 PolarHBondContact O-N 3.07Å; F197-H200 WeakPolarHBondContact O-CB 3.47Å; F197-H200 PolarHBondContact O-N 3.23Å; F197-V201 HydrophobicContact CD1-CG2 4.23Å; F197-V201 HydrophobicContact CD2-CG2 4.47Å; F197-V201 HydrophobicContact CE1-CG2 3.75Å; F197-V201 HydrophobicContact CE2-CG2 4.02Å; F197-V201 HydrophobicContact CZ-CG2 3.63Å; F197-V201 WeakPolarHBondContact O-CG2 3.48Å; F197-V201 PolarHBondContact O-N 3.38Å
198K92.7Very high90.1Very high165 Ų16562 Ų6272%0.71731%0.312SS*.Hα-helixtrans-61.4-43.2-179-68.8-178.6-179.1176.10112G196 V201 M202G196-K198 VanDerWaalsContact C-N 3.33Å; G196-K198 PolarHBondContact O-N 2.94Å; K198-V201 PolarHBondContact O-N 2.96Å; K198-M202 VanDerWaalsContact O-CG 3.25Å; K198-M202 WeakPolarHBondContact O-CG 3.35Å; K198-M202 PolarHBondContact O-N 3.4Å
199Y94.1Very high91.2Very high98 Ų9862.3 Ų62.338%0.38432%0.317SS..Hα-helixtrans-70.1-37.7178.6-64.1-59.8000111.5F175 L178 G196 F197 M202 S203F175-Y199 WeakPolarHBondContact CB-O 3.45Å; F175-Y199 HydrophobicContact CD1-CD1 4.02Å; F175-Y199 WeakPolarHBondContact O-CB 3.43Å; L178-Y199 HydrophobicContact CB-CD1 3.94Å; L178-Y199 HydrophobicContact CB-CD2 3.98Å; L178-Y199 HydrophobicContact CB-CE1 4.3Å; L178-Y199 HydrophobicContact CB-CE2 4.33Å; L178-Y199 HydrophobicContact CB-CG 3.77Å; L178-Y199 HydrophobicContact CD1-CD1 4.19Å; L178-Y199 HydrophobicContact CD1-CE1 4.03Å; L178-Y199 WeakPolarHBondContact O-CD2 3.41Å; G196-Y199 PolarHBondContact O-N 2.99Å; G196-Y199 VanDerWaalsContact O-N 3.08Å; F197-Y199 VanDerWaalsContact C-N 3.34Å; F197-Y199 PolarHBondContact O-N 3.07Å; Y199-M202 HydrophobicContact CD1-SD 4.5Å; Y199-M202 PolarHBondContact O-N 3.45Å; Y199-S203 WeakPolarHBondContact O-CB 3.4Å; Y199-S203 PolarHBondContact O-N 3.41Å
200H91.1Very high92.1Very high5 Ų557 Ų572%0.02329%0.294CS..Hα-helixtrans-56.8-52.8171.9169.270.4000111.3Y40 W190 G196 F197 M202 S203 S204Y40-H200 AromaticContact CD2-CE1 3.51Å; Y40-H200 AromaticContact CD2-ND1 3.97Å; Y40-H200 AromaticContact CE2-CE1 3.35Å; Y40-H200 WeakPolarHBondContact CE2-CE1 3.36Å; Y40-H200 AromaticContact CE2-ND1 3.3Å; Y40-H200 VanDerWaalsContact CE2-ND1 3.3Å; Y40-H200 WeakPolarHBondContact CE2-ND1 3.48Å; W190-H200 AromaticContact CD1-CD2 3.27Å; W190-H200 AromaticContact CD1-CE1 3.45Å; W190-H200 VanDerWaalsContact CD1-CE1 3.45Å; W190-H200 AromaticContact CD1-CG 3.51Å; W190-H200 AromaticContact CD1-ND1 3.62Å; W190-H200 AromaticContact CD1-NE2 3.22Å; W190-H200 HydrophobicContact CD2-CB 3.86Å; W190-H200 AromaticContact CD2-CG 3.81Å; W190-H200 AromaticContact CE2-CG 3.58Å; W190-H200 AromaticContact CE2-ND1 3.67Å; W190-H200 HydrophobicContact CE3-CB 4.22Å; W190-H200 HydrophobicContact CG-CB 4.25Å; W190-H200 AromaticContact CG-CD2 3.52Å; W190-H200 AromaticContact CG-CG 3.77Å; W190-H200 AromaticContact CG-NE2 3.93Å; W190-H200 HydrophobicContact CH2-CB 4.42Å; W190-H200 HydrophobicContact CZ2-CB 4.08Å; W190-H200 HydrophobicContact CZ3-CB 4.49Å; W190-H200 AromaticContact NE1-CD2 3.69Å; W190-H200 AromaticContact NE1-CE1 3.36Å; W190-H200 PolarHBondContact NE1-CE1 3.26Å; W190-H200 AromaticContact NE1-CG 3.41Å; W190-H200 AromaticContact NE1-ND1 3.2Å; W190-H200 PolarHBondContact NE1-ND1 3.03Å; W190-H200 VanDerWaalsContact NE1-ND1 3.2Å; W190-H200 AromaticContact NE1-NE2 3.65Å; G196-H200 PolarHBondContact O-N 3.17Å; F197-H200 WeakPolarHBondContact O-CB 3.47Å; F197-H200 PolarHBondContact O-N 3.23Å; H200-M202 VanDerWaalsContact C-N 3.31Å; H200-M202 PolarHBondContact O-N 3.31Å; H200-S203 VanDerWaalsContact O-CB 3.31Å; H200-S203 WeakPolarHBondContact O-CB 3.1Å; H200-S203 PolarHBondContact O-N 2.92Å; H200-S204 PolarHBondContact O-N 2.72Å; H200-S204 PolarHBondContact O-OG 2.75Å
201V93.1Very high92.8Very high32 Ų3256.2 Ų56.219%0.19429%0.292CS..Hα-helixtrans-59.7-40.4178.4172.70000112F38 F197 K198 S203 S204 F205F38-V201 HydrophobicContact CB-CG1 4.34Å; F197-V201 HydrophobicContact CD1-CG2 4.23Å; F197-V201 HydrophobicContact CD2-CG2 4.47Å; F197-V201 HydrophobicContact CE1-CG2 3.75Å; F197-V201 HydrophobicContact CE2-CG2 4.02Å; F197-V201 HydrophobicContact CZ-CG2 3.63Å; F197-V201 WeakPolarHBondContact O-CG2 3.48Å; F197-V201 PolarHBondContact O-N 3.38Å; K198-V201 PolarHBondContact O-N 2.96Å; V201-S203 VanDerWaalsContact C-N 3.33Å; V201-S204 PolarHBondContact O-N 3.15Å; V201-F205 WeakPolarHBondContact O-CB 3.49Å; V201-F205 PolarHBondContact O-N 3.29Å
202M95.7Very high93.5Very high84 Ų8458 Ų5841%0.41430%0.296SS..Hα-helixtrans-63.5-40.2175.8-73.1178.175.500112.1F175 K198 Y199 H200 F205 C206F175-M202 HydrophobicContact CB-CB 4.14Å; F175-M202 HydrophobicContact CD1-CB 4.35Å; F175-M202 HydrophobicContact CD1-CE 4.1Å; F175-M202 HydrophobicContact CD1-SD 4.39Å; F175-M202 HydrophobicContact CD2-CB 3.82Å; F175-M202 HydrophobicContact CD2-CE 4.34Å; F175-M202 HydrophobicContact CE1-CE 3.51Å; F175-M202 HydrophobicContact CE1-SD 4.29Å; F175-M202 HydrophobicContact CE2-CB 4.33Å; F175-M202 HydrophobicContact CE2-CE 3.8Å; F175-M202 HydrophobicContact CG-CB 3.86Å; F175-M202 HydrophobicContact CZ-CE 3.35Å; K198-M202 VanDerWaalsContact O-CG 3.25Å; K198-M202 WeakPolarHBondContact O-CG 3.35Å; K198-M202 PolarHBondContact O-N 3.4Å; Y199-M202 HydrophobicContact CD1-SD 4.5Å; Y199-M202 PolarHBondContact O-N 3.45Å; H200-M202 VanDerWaalsContact C-N 3.31Å; H200-M202 PolarHBondContact O-N 3.31Å; M202-F205 PolarHBondContact O-N 3.3Å; M202-C206 PolarHBondContact O-N 2.77Å; M202-C206 PolarHBondContact O-SG 3.27Å
203S95.5Very high94.1Very high0 Ų053.5 Ų53.50%027%0.267CS..Hα-helixtrans-64.2-48.4176.4-172.30000111.7Y40 V172 G176 Y199 H200 V201 F205 C206 E207Y40-S203 WeakPolarHBondContact CE1-OG 3.44Å; Y40-S203 WeakPolarHBondContact OH-CB 3.31Å; Y40-S203 PolarHBondContact OH-OG 3.21Å; V172-S203 WeakPolarHBondContact CA-OG 3.44Å; V172-S203 PolarHBondContact O-OG 3.01Å; G176-S203 PolarHBondContact N-OG 3.47Å; Y199-S203 WeakPolarHBondContact O-CB 3.4Å; Y199-S203 PolarHBondContact O-N 3.41Å; H200-S203 VanDerWaalsContact O-CB 3.31Å; H200-S203 WeakPolarHBondContact O-CB 3.1Å; H200-S203 PolarHBondContact O-N 2.92Å; V201-S203 VanDerWaalsContact C-N 3.33Å; S203-F205 VanDerWaalsContact C-N 3.34Å; S203-F205 PolarHBondContact O-N 2.71Å; S203-C206 WeakPolarHBondContact O-CB 3.38Å; S203-C206 PolarHBondContact O-N 3.29Å; S203-C206 VanDerWaalsContact O-N 3.1Å; S203-E207 PolarHBondContact O-N 3.09Å
204S95.1Very high94.6Very high0 Ų049.9 Ų49.90%024%0.238CC..Hα-helixtrans-61.1-43176.4-54.30000111.2F38 Y40 H200 V201 C206 E207 W208F38-S204 WeakPolarHBondContact O-CB 3.24Å; F38-S204 PolarHBondContact O-OG 3.38Å; Y40-S204 WeakPolarHBondContact CD1-OG 3.26Å; Y40-S204 WeakPolarHBondContact CD2-OG 3.35Å; Y40-S204 PolarHBondContact N-OG 3.33Å; H200-S204 PolarHBondContact O-N 2.72Å; H200-S204 PolarHBondContact O-OG 2.75Å; V201-S204 PolarHBondContact O-N 3.15Å; S204-C206 VanDerWaalsContact C-N 3.31Å; S204-C206 PolarHBondContact O-N 3.36Å; S204-E207 WeakPolarHBondContact O-CB 3.11Å; S204-E207 PolarHBondContact O-N 3.18Å; S204-E207 VanDerWaalsContact O-N 3.07Å; S204-W208 PolarHBondContact O-N 3.27Å; S204-W208 VanDerWaalsContact O-N 3.07Å
205F96.5Very high95.2Very high97 Ų9747.9 Ų47.943%0.42523%0.23SC..Hα-helixtrans-57.1-43.2173174.2-97.2000112.4F38 V201 M202 S203 E207 W208 L209F38-F205 HydrophobicContact CD1-CD2 4.47Å; F38-F205 AromaticContact CE1-CD2 3.96Å; F38-F205 HydrophobicContact CE1-CD2 3.96Å; F38-F205 HydrophobicContact CZ-CD2 4.24Å; V201-F205 WeakPolarHBondContact O-CB 3.49Å; V201-F205 PolarHBondContact O-N 3.29Å; M202-F205 PolarHBondContact O-N 3.3Å; S203-F205 VanDerWaalsContact C-N 3.34Å; S203-F205 PolarHBondContact O-N 2.71Å; F205-E207 VanDerWaalsContact C-N 3.29Å; F205-E207 PolarHBondContact O-N 3.26Å; F205-W208 PolarHBondContact O-N 3.23Å; F205-L209 HydrophobicContact CE1-CD2 4.1Å; F205-L209 WeakPolarHBondContact O-CB 3.47Å; F205-L209 PolarHBondContact O-N 3.49Å
206C97.8Very high95.7Very high13 Ų1343.5 Ų43.59%0.08820%0.201CC..Hα-helixtrans-61.5-36.6175.5-75.30000112.3A168 V172 M202 S203 S204 L209 M210A168-C206 WeakPolarHBondContact O-CB 3.43Å; V172-C206 HydrophobicContact CG2-CB 3.72Å; M202-C206 PolarHBondContact O-N 2.77Å; M202-C206 PolarHBondContact O-SG 3.27Å; S203-C206 WeakPolarHBondContact O-CB 3.38Å; S203-C206 PolarHBondContact O-N 3.29Å; S203-C206 VanDerWaalsContact O-N 3.1Å; S204-C206 VanDerWaalsContact C-N 3.31Å; S204-C206 PolarHBondContact O-N 3.36Å; C206-L209 PolarHBondContact O-N 3.22Å; C206-M210 VanDerWaalsContact O-CB 3.24Å; C206-M210 WeakPolarHBondContact O-CB 3.26Å; C206-M210 PolarHBondContact O-N 3.41Å
207E97.3Very high96.2Very high15 Ų1543.4 Ų43.47%0.0720%0.199CC..Hα-helixtrans-65-46.1175.9-168.7-166.4-157.800112Y40 I41 F130 V172 S203 S204 F205 M210 S211Y40-E207 VanDerWaalsContact CA-OE2 3.24Å; Y40-E207 WeakPolarHBondContact CA-OE2 3.38Å; Y40-E207 WeakPolarHBondContact CB-OE2 3.38Å; Y40-E207 HydrophobicContact CD1-CB 4.29Å; Y40-E207 VanDerWaalsContact CD1-OE2 3.3Å; Y40-E207 WeakPolarHBondContact CD1-OE2 3.48Å; I41-E207 HydrophobicContact CD1-CG 4.19Å; I41-E207 PolarHBondContact N-OE2 2.9Å; F130-E207 HydrophobicContact CE2-CG 4.3Å; F130-E207 HydrophobicContact CZ-CG 4.17Å; V172-E207 HydrophobicContact CG2-CB 3.91Å; V172-E207 VanDerWaalsContact CG2-N 3.35Å; S203-E207 PolarHBondContact O-N 3.09Å; S204-E207 WeakPolarHBondContact O-CB 3.11Å; S204-E207 PolarHBondContact O-N 3.18Å; S204-E207 VanDerWaalsContact O-N 3.07Å; F205-E207 VanDerWaalsContact C-N 3.29Å; F205-E207 PolarHBondContact O-N 3.26Å; E207-M210 PolarHBondContact O-N 2.96Å; E207-S211 WeakPolarHBondContact O-CB 3.07Å; E207-S211 PolarHBondContact O-N 3.35Å; E207-S211 PolarHBondContact O-OG 3.46Å
208W97.5Very high96.6Very high63 Ų6342.2 Ų42.224%0.23919%0.194CC..Hα-helixtrans-61-45.7174.9-76.799.2000111.8F21 P39 I41 S204 F205 M210 S211 F212F21-W208 HydrophobicContact CB-CH2 4.13Å; F21-W208 HydrophobicContact CB-CZ3 4.06Å; F21-W208 AromaticContact CD2-CZ3 4Å; F21-W208 HydrophobicContact CD2-CZ3 4Å; F21-W208 HydrophobicContact CG-CZ3 4.36Å; P39-W208 PolarHBondContact O-NE1 3.41Å; I41-W208 HydrophobicContact CD1-CD2 4.01Å; I41-W208 HydrophobicContact CD1-CE3 4.05Å; I41-W208 HydrophobicContact CD1-CG 4.41Å; I41-W208 HydrophobicContact CD1-CZ3 4.43Å; I41-W208 HydrophobicContact CG1-CD2 3.7Å; I41-W208 HydrophobicContact CG1-CE3 4.03Å; I41-W208 HydrophobicContact CG1-CG 4.25Å; I41-W208 HydrophobicContact CG1-CH2 4.04Å; I41-W208 HydrophobicContact CG1-CZ2 3.7Å; I41-W208 HydrophobicContact CG1-CZ3 4.19Å; S204-W208 PolarHBondContact O-N 3.27Å; S204-W208 VanDerWaalsContact O-N 3.07Å; F205-W208 PolarHBondContact O-N 3.23Å; W208-M210 PolarHBondContact O-N 3.26Å; W208-S211 PolarHBondContact O-N 3.45Å; W208-F212 WeakPolarHBondContact O-CB 3.32Å; W208-F212 PolarHBondContact O-N 3.08Å
209L97.7Very high96.9Very high59 Ų5936 Ų3631%0.30917%0.173SC..Hα-helixtrans-61.9-43.2178.5178.561.4000111.7A168 F205 C206 T213A168-L209 HydrophobicContact CB-CB 4.44Å; A168-L209 HydrophobicContact CB-CD2 4.27Å; A168-L209 HydrophobicContact CB-CG 4.27Å; F205-L209 HydrophobicContact CE1-CD2 4.1Å; F205-L209 WeakPolarHBondContact O-CB 3.47Å; F205-L209 PolarHBondContact O-N 3.49Å; C206-L209 PolarHBondContact O-N 3.22Å; L209-T213 VanDerWaalsContact O-CB 3.27Å; L209-T213 WeakPolarHBondContact O-CB 3.31Å; L209-T213 PolarHBondContact O-N 2.88Å; L209-T213 PolarHBondContact O-OG1 2.99Å
210M97.6Very high97.1Very high0 Ų031.9 Ų31.90%016%0.159CC..Hα-helixtrans-62.3-48.1177.1179170.151.600111.2F130 A168 N169 V172 C206 E207 W208 F212 T213 F214F130-M210 HydrophobicContact CB-CE 3.66Å; F130-M210 HydrophobicContact CB-SD 3.57Å; F130-M210 VanDerWaalsContact CB-SD 3.57Å; F130-M210 HydrophobicContact CD1-CE 3.35Å; F130-M210 HydrophobicContact CD1-CG 4.11Å; F130-M210 HydrophobicContact CD1-SD 3.73Å; F130-M210 HydrophobicContact CD2-CE 3.5Å; F130-M210 VanDerWaalsContact CD2-CE 3.5Å; F130-M210 HydrophobicContact CE1-CE 3.77Å; F130-M210 HydrophobicContact CE2-CE 3.88Å; F130-M210 HydrophobicContact CG-CE 3.21Å; F130-M210 HydrophobicContact CG-SD 3.72Å; F130-M210 HydrophobicContact CZ-CE 4.01Å; A168-M210 HydrophobicContact CB-CB 3.72Å; N169-M210 VanDerWaalsContact CA-SD 3.53Å; N169-M210 HydrophobicContact CB-SD 3.5Å; N169-M210 VanDerWaalsContact CB-SD 3.5Å; V172-M210 HydrophobicContact CG2-CE 3.97Å; C206-M210 VanDerWaalsContact O-CB 3.24Å; C206-M210 WeakPolarHBondContact O-CB 3.26Å; C206-M210 PolarHBondContact O-N 3.41Å; E207-M210 PolarHBondContact O-N 2.96Å; W208-M210 PolarHBondContact O-N 3.26Å; M210-F212 PolarHBondContact O-N 2.89Å; M210-T213 WeakPolarHBondContact O-CB 3.28Å; M210-T213 PolarHBondContact O-N 2.84Å; M210-F214 HydrophobicContact CG-CE1 4.49Å; M210-F214 HydrophobicContact CG-CE2 4.14Å; M210-F214 HydrophobicContact CG-CZ 4.09Å; M210-F214 PolarHBondContact O-N 2.95Å
211S97.9Very high97.4Very high8 Ų831.7 Ų31.76%0.05616%0.158CC..Hα-helixtrans-62.1-44.9179.8-590000111.5I41 E207 W208 T213 F214 L215I41-S211 WeakPolarHBondContact CD1-OG 3.31Å; E207-S211 WeakPolarHBondContact O-CB 3.07Å; E207-S211 PolarHBondContact O-N 3.35Å; E207-S211 PolarHBondContact O-OG 3.46Å; W208-S211 PolarHBondContact O-N 3.45Å; S211-T213 VanDerWaalsContact C-N 3.33Å; S211-T213 PolarHBondContact O-N 3.46Å; S211-F214 PolarHBondContact O-N 3.2Å; S211-L215 WeakPolarHBondContact O-CG 3.47Å; S211-L215 PolarHBondContact O-N 3.29Å
212F97.9Very high97.6Very high120 Ų12032.1 Ų32.153%0.52616%0.159SC..Hα-helixtrans-60.9-42.2174.1179-105.5000112.4W208 M210 F214 L215 L216W208-F212 WeakPolarHBondContact O-CB 3.32Å; W208-F212 PolarHBondContact O-N 3.08Å; M210-F212 PolarHBondContact O-N 2.89Å; F212-F214 VanDerWaalsContact C-N 3.32Å; F212-F214 PolarHBondContact O-N 2.68Å; F212-L215 WeakPolarHBondContact O-CB 3.45Å; F212-L215 PolarHBondContact O-N 2.92Å; F212-L216 HydrophobicContact CD1-CD1 4.06Å; F212-L216 HydrophobicContact CD1-CG 4.48Å; F212-L216 HydrophobicContact CE1-CD1 3.42Å; F212-L216 VanDerWaalsContact CE1-CD1 3.42Å; F212-L216 HydrophobicContact CE1-CG 4.04Å; F212-L216 HydrophobicContact CE2-CG 4.48Å; F212-L216 HydrophobicContact CZ-CD1 3.77Å; F212-L216 HydrophobicContact CZ-CD2 4.2Å; F212-L216 HydrophobicContact CZ-CG 4.04Å; F212-L216 PolarHBondContact O-N 2.89Å
213T98.5Very high97.5Very high4 Ų431.8 Ų31.83%0.02516%0.155CC..Hα-helixtrans-60.6-41.3177.3-64.20000111.6L161 C164 L209 M210 S211 L216 F217L161-T213 HydrophobicContact CB-CG2 3.93Å; L161-T213 HydrophobicContact CD2-CG2 3.97Å; L161-T213 WeakPolarHBondContact O-CG2 3.46Å; C164-T213 HydrophobicContact CB-CG2 4.08Å; C164-T213 PolarHBondContact SG-OG1 3.21Å; C164-T213 VanDerWaalsContact SG-OG1 3.41Å; L209-T213 VanDerWaalsContact O-CB 3.27Å; L209-T213 WeakPolarHBondContact O-CB 3.31Å; L209-T213 PolarHBondContact O-N 2.88Å; L209-T213 PolarHBondContact O-OG1 2.99Å; M210-T213 WeakPolarHBondContact O-CB 3.28Å; M210-T213 PolarHBondContact O-N 2.84Å; S211-T213 VanDerWaalsContact C-N 3.33Å; S211-T213 PolarHBondContact O-N 3.46Å; T213-L216 PolarHBondContact O-N 3.42Å; T213-F217 PolarHBondContact O-N 3.45Å
214F98.5Very high97.5Very high26 Ų2632.6 Ų32.611%0.11416%0.159CC..Hα-helixtrans-66.8-37.8175.2-71.3-9.8000112.9F130 V134 M210 S211 F212 L216 F217 F218F130-F214 HydrophobicContact CD1-CD2 4.41Å; F130-F214 AromaticContact CD1-CE2 3.92Å; F130-F214 HydrophobicContact CD1-CE2 3.92Å; V134-F214 HydrophobicContact CG2-CE1 4.09Å; V134-F214 HydrophobicContact CG2-CZ 3.8Å; M210-F214 HydrophobicContact CG-CE1 4.49Å; M210-F214 HydrophobicContact CG-CE2 4.14Å; M210-F214 HydrophobicContact CG-CZ 4.09Å; M210-F214 PolarHBondContact O-N 2.95Å; S211-F214 PolarHBondContact O-N 3.2Å; F212-F214 VanDerWaalsContact C-N 3.32Å; F212-F214 PolarHBondContact O-N 2.68Å; F214-L216 VanDerWaalsContact C-N 3.32Å; F214-L216 PolarHBondContact O-N 3.37Å; F214-F217 WeakPolarHBondContact O-CA 3.3Å; F214-F217 WeakPolarHBondContact O-CB 3.35Å; F214-F217 PolarHBondContact O-N 3.45Å; F214-F218 WeakPolarHBondContact O-CD2 3.03Å; F214-F218 PolarHBondContact O-N 3.13Å
215L98.5Very high97.5Very high19 Ų1932.6 Ų32.610%0.09916%0.159CC..Hα-helixtrans-59.5-44.2173.1-68.3177000111.9I14 I17 V18 S211 F212 F217 F218 A219I14-L215 HydrophobicContact CG1-CD2 4.25Å; I17-L215 HydrophobicContact CB-CD2 3.81Å; I17-L215 HydrophobicContact CD1-CD2 3.69Å; I17-L215 HydrophobicContact CG1-CD2 4.29Å; I17-L215 HydrophobicContact CG2-CD1 4.01Å; I17-L215 HydrophobicContact CG2-CD2 3.81Å; I17-L215 HydrophobicContact CG2-CG 4.3Å; V18-L215 HydrophobicContact CG2-CD1 3.94Å; S211-L215 WeakPolarHBondContact O-CG 3.47Å; S211-L215 PolarHBondContact O-N 3.29Å; F212-L215 WeakPolarHBondContact O-CB 3.45Å; F212-L215 PolarHBondContact O-N 2.92Å; L215-F217 VanDerWaalsContact C-N 3.28Å; L215-F217 PolarHBondContact O-N 3.36Å; L215-F218 PolarHBondContact O-N 3.24Å; L215-A219 WeakPolarHBondContact O-CB 3.47Å; L215-A219 PolarHBondContact O-N 3.44Å
216L98.7Very high97.5Very high55 Ų5534 Ų3429%0.28816%0.161SC..Hα-helixtrans-64.8-33.7173.7-67.2-178000112.3F157 L161 F212 T213 F214 A219 S220F157-L216 HydrophobicContact CZ-CB 4.36Å; L161-L216 HydrophobicContact CD1-CB 3.83Å; L161-L216 HydrophobicContact CD2-CB 3.87Å; L161-L216 HydrophobicContact CD2-CD1 3.97Å; F212-L216 HydrophobicContact CD1-CD1 4.06Å; F212-L216 HydrophobicContact CD1-CG 4.48Å; F212-L216 HydrophobicContact CE1-CD1 3.42Å; F212-L216 VanDerWaalsContact CE1-CD1 3.42Å; F212-L216 HydrophobicContact CE1-CG 4.04Å; F212-L216 HydrophobicContact CE2-CG 4.48Å; F212-L216 HydrophobicContact CZ-CD1 3.77Å; F212-L216 HydrophobicContact CZ-CD2 4.2Å; F212-L216 HydrophobicContact CZ-CG 4.04Å; F212-L216 PolarHBondContact O-N 2.89Å; T213-L216 PolarHBondContact O-N 3.42Å; F214-L216 VanDerWaalsContact C-N 3.32Å; F214-L216 PolarHBondContact O-N 3.37Å; L216-A219 WeakPolarHBondContact O-CB 3.33Å; L216-A219 PolarHBondContact O-N 3.41Å; L216-S220 PolarHBondContact O-N 3.11Å
217F98.8Very high97.2Very high1 Ų139.3 Ų39.30%0.00419%0.189CC..Hα-helixtrans-65.9-48177-164.6-83.7000110.9S137 V140 T141 R158 L161 T213 F214 L215 A219 S220 M221S137-F217 VanDerWaalsContact CA-CZ 3.45Å; S137-F217 WeakPolarHBondContact O-CZ 3.38Å; V140-F217 HydrophobicContact CB-CE1 3.84Å; V140-F217 HydrophobicContact CB-CZ 3.8Å; V140-F217 HydrophobicContact CG1-CE1 3.67Å; V140-F217 HydrophobicContact CG1-CZ 3.7Å; V140-F217 HydrophobicContact CG2-CE1 4.4Å; T141-F217 WeakPolarHBondContact OG1-CE2 3.34Å; R158-F217 HydrophobicContact CB-CD2 4.49Å; R158-F217 HydrophobicContact CB-CE2 3.76Å; R158-F217 HydrophobicContact CB-CZ 4.37Å; R158-F217 HydrophobicContact CG-CD2 4.38Å; R158-F217 HydrophobicContact CG-CE2 3.83Å; R158-F217 HydrophobicContact CG-CZ 4.18Å; L161-F217 HydrophobicContact CB-CD2 4.01Å; L161-F217 HydrophobicContact CD1-CB 4.16Å; L161-F217 HydrophobicContact CD1-CD2 4.26Å; T213-F217 PolarHBondContact O-N 3.45Å; F214-F217 WeakPolarHBondContact O-CA 3.3Å; F214-F217 WeakPolarHBondContact O-CB 3.35Å; F214-F217 PolarHBondContact O-N 3.45Å; L215-F217 VanDerWaalsContact C-N 3.28Å; L215-F217 PolarHBondContact O-N 3.36Å; F217-A219 VanDerWaalsContact C-N 3.34Å; F217-A219 PolarHBondContact O-N 3.41Å; F217-S220 WeakPolarHBondContact O-CB 3.34Å; F217-S220 PolarHBondContact O-N 3.3Å; F217-S220 VanDerWaalsContact O-N 3.11Å; F217-S220 PolarHBondContact O-OG 3.4Å; F217-M221 HydrophobicContact CD1-SD 4.43Å; F217-M221 HydrophobicContact CE1-SD 4.49Å; F217-M221 PolarHBondContact O-N 3Å
218F98.5Very high97.1Very high23 Ų2341.4 Ų41.410%0.10120%0.197CC..Hα-helixtrans-58.9-44.8171.6-88.5-85.5000111.2V10 L13 C68 I69 F136 F214 L215 S220 M221V10-F218 HydrophobicContact CG1-CB 4.12Å; V10-F218 VanDerWaalsContact CG1-O 3.25Å; V10-F218 WeakPolarHBondContact CG1-O 3.4Å; L13-F218 HydrophobicContact CD2-CD1 3.62Å; L13-F218 HydrophobicContact CD2-CD2 4.43Å; L13-F218 HydrophobicContact CD2-CE1 3.76Å; L13-F218 HydrophobicContact CD2-CG 3.98Å; L13-F218 HydrophobicContact CD2-CZ 4.24Å; C68-F218 HydrophobicContact CB-CD1 4.14Å; C68-F218 HydrophobicContact CB-CE1 3.86Å; I69-F218 HydrophobicContact CD1-CZ 4.23Å; I69-F218 HydrophobicContact CG1-CE1 4.2Å; I69-F218 HydrophobicContact CG1-CZ 4.13Å; F136-F218 HydrophobicContact CE1-CZ 4.46Å; F214-F218 WeakPolarHBondContact O-CD2 3.03Å; F214-F218 PolarHBondContact O-N 3.13Å; L215-F218 PolarHBondContact O-N 3.24Å; F218-S220 PolarHBondContact O-N 3.05Å; F218-M221 HydrophobicContact CD1-SD 3.99Å; F218-M221 HydrophobicContact CE1-SD 4.37Å; F218-M221 HydrophobicContact CG-SD 4.41Å; F218-M221 WeakPolarHBondContact O-CA 3.25Å; F218-M221 VanDerWaalsContact O-CB 3.27Å; F218-M221 WeakPolarHBondContact O-CB 3.02Å; F218-M221 PolarHBondContact O-N 2.9Å
219A98.4Very high96.9Very high34 Ų3444.4 Ų44.428%0.28121%0.213SC..Hα-helixtrans-56.2-36.2175.500000112.2I14 L215 L216 F217 M221 I222I14-A219 HydrophobicContact CD1-CB 3.7Å; L215-A219 WeakPolarHBondContact O-CB 3.47Å; L215-A219 PolarHBondContact O-N 3.44Å; L216-A219 WeakPolarHBondContact O-CB 3.33Å; L216-A219 PolarHBondContact O-N 3.41Å; F217-A219 VanDerWaalsContact C-N 3.34Å; F217-A219 PolarHBondContact O-N 3.41Å; A219-M221 PolarHBondContact O-N 2.87Å; A219-I222 VanDerWaalsContact O-CB 3.25Å; A219-I222 WeakPolarHBondContact O-CB 3.5Å; A219-I222 WeakPolarHBondContact O-CG1 3.41Å; A219-I222 PolarHBondContact O-N 3.45Å; A219-I222 VanDerWaalsContact O-N 3.17Å
220S97.8Very high96.5Very high12 Ų1245.6 Ų45.68%0.08422%0.22CC..Hα-helixtrans-63.1-26.5175.785.10000113.1R158 L216 F217 F218 I222 F223R158-S220 WeakPolarHBondContact CG-OG 3.24Å; R158-S220 PolarHBondContact NE-OG 2.69Å; R158-S220 VanDerWaalsContact NH2-C 3.26Å; R158-S220 PolarHBondContact NH2-O 2.96Å; R158-S220 PolarHBondContact NH2-OG 3.25Å; L216-S220 PolarHBondContact O-N 3.11Å; F217-S220 WeakPolarHBondContact O-CB 3.34Å; F217-S220 PolarHBondContact O-N 3.3Å; F217-S220 VanDerWaalsContact O-N 3.11Å; F217-S220 PolarHBondContact O-OG 3.4Å; F218-S220 PolarHBondContact O-N 3.05Å; S220-I222 VanDerWaalsContact C-N 3.26Å; S220-I222 PolarHBondContact O-N 3.43Å; S220-F223 PolarHBondContact O-N 2.59Å
221M97.4Very high96Very high0 Ų052 Ų520%025%0.25CC..Hα-helixtrans-74.7-14178.7-59.6164.867.500113W72 F136 F217 F218 A219 F223 E224 L225W72-M221 HydrophobicContact CB-CE 3.31Å; W72-M221 HydrophobicContact CD2-CE 4.09Å; W72-M221 HydrophobicContact CG-CE 3.26Å; F136-M221 HydrophobicContact CE1-SD 4.34Å; F136-M221 HydrophobicContact CZ-CE 4.06Å; F136-M221 HydrophobicContact CZ-SD 4.44Å; F217-M221 HydrophobicContact CD1-SD 4.43Å; F217-M221 HydrophobicContact CE1-SD 4.49Å; F217-M221 PolarHBondContact O-N 3Å; F218-M221 HydrophobicContact CD1-SD 3.99Å; F218-M221 HydrophobicContact CE1-SD 4.37Å; F218-M221 HydrophobicContact CG-SD 4.41Å; F218-M221 WeakPolarHBondContact O-CA 3.25Å; F218-M221 VanDerWaalsContact O-CB 3.27Å; F218-M221 WeakPolarHBondContact O-CB 3.02Å; F218-M221 PolarHBondContact O-N 2.9Å; A219-M221 PolarHBondContact O-N 2.87Å; M221-F223 PolarHBondContact O-N 3.3Å; M221-E224 WeakPolarHBondContact CA-OE2 3.25Å; M221-E224 PolarHBondContact O-N 2.97Å; M221-L225 HydrophobicContact CB-CD1 4.41Å; M221-L225 WeakPolarHBondContact O-CB 3.3Å; M221-L225 WeakPolarHBondContact O-CG 3.44Å; M221-L225 PolarHBondContact O-N 3.28Å; M221-L225 VanDerWaalsContact O-N 3.08Å
222I97.2Very high95.2Very high41 Ų4153.7 Ų53.721%0.2126%0.262CS..Hα-helixtrans-58.6-32.4172-67.1172.8000110.5H7 V10 I11 A219 S220 E224 L225 R226H7-I222 HydrophobicContact CB-CB 4.48Å; H7-I222 HydrophobicContact CB-CG1 4.45Å; H7-I222 HydrophobicContact CB-CG2 4.01Å; V10-I222 HydrophobicContact CB-CD1 4.4Å; V10-I222 HydrophobicContact CB-CG1 3.89Å; V10-I222 HydrophobicContact CG1-CD1 4.04Å; V10-I222 HydrophobicContact CG1-CG1 3.7Å; I11-I222 HydrophobicContact CD1-CD1 4.49Å; I11-I222 HydrophobicContact CG1-CD1 3.81Å; A219-I222 VanDerWaalsContact O-CB 3.25Å; A219-I222 WeakPolarHBondContact O-CB 3.5Å; A219-I222 WeakPolarHBondContact O-CG1 3.41Å; A219-I222 PolarHBondContact O-N 3.45Å; A219-I222 VanDerWaalsContact O-N 3.17Å; S220-I222 VanDerWaalsContact C-N 3.26Å; S220-I222 PolarHBondContact O-N 3.43Å; I222-E224 VanDerWaalsContact C-N 3.29Å; I222-E224 PolarHBondContact O-N 3.37Å; I222-L225 PolarHBondContact O-N 3.38Å; I222-R226 VanDerWaalsContact O-CB 3.27Å; I222-R226 WeakPolarHBondContact O-CB 3.3Å; I222-R226 WeakPolarHBondContact O-CG 3.28Å; I222-R226 PolarHBondContact O-N 2.76Å
223F94.9Very high94.2Very high77 Ų7754 Ų5434%0.33827%0.273SS..Hα-helixtrans-58-41.8-178.6177.3-93.9000112.8I154 S220 M221 R226I154-F223 HydrophobicContact CD1-CB 3.76Å; I154-F223 HydrophobicContact CD1-CD1 3.06Å; I154-F223 HydrophobicContact CD1-CD2 3.41Å; I154-F223 VanDerWaalsContact CD1-CD2 3.41Å; I154-F223 HydrophobicContact CD1-CE1 3.34Å; I154-F223 HydrophobicContact CD1-CE2 3.66Å; I154-F223 HydrophobicContact CD1-CG 3.09Å; I154-F223 HydrophobicContact CD1-CZ 3.63Å; I154-F223 HydrophobicContact CG1-CG 4.45Å; S220-F223 PolarHBondContact O-N 2.59Å; M221-F223 PolarHBondContact O-N 3.3Å; F223-R226 WeakPolarHBondContact O-CG 3.45Å; F223-R226 PolarHBondContact O-NE 2.67Å
224E94.5Very high93.4Very high17 Ų1761.8 Ų61.88%0.07931%0.306CS..Hα-helixtrans-80.2-46.1175.9-64.387.9168.200111.5H75 L148 R158 M221 I222 R226 Y228H75-E224 VanDerWaalsContact CE1-CB 3.43Å; H75-E224 WeakPolarHBondContact CE1-CB 3.28Å; H75-E224 VanDerWaalsContact CE1-CG 3.5Å; H75-E224 WeakPolarHBondContact CE1-CG 3.35Å; L148-E224 HydrophobicContact CD1-CG 4.37Å; R158-E224 IonicContact CZ-OE1 3.72Å; R158-E224 IonicContact CZ-OE2 3.54Å; R158-E224 IonicContact NH1-OE1 3.87Å; R158-E224 PolarHBondContact NH1-OE1 2.67Å; R158-E224 IonicContact NH1-OE2 3.18Å; R158-E224 IonicContact NH2-OE1 3.85Å; R158-E224 PolarHBondContact NH2-OE1 3.22Å; R158-E224 IonicContact NH2-OE2 2.71Å; R158-E224 PolarHBondContact NH2-OE2 3.15Å; M221-E224 WeakPolarHBondContact CA-OE2 3.25Å; M221-E224 PolarHBondContact O-N 2.97Å; I222-E224 VanDerWaalsContact C-N 3.29Å; I222-E224 PolarHBondContact O-N 3.37Å; E224-R226 VanDerWaalsContact C-N 3.26Å; E224-R226 PolarHBondContact O-N 3.16Å; E224-Y228 WeakPolarHBondContact O-CD2 3.33Å
225L96.3Very high92.6Very high1 Ų168.4 Ų68.41%0.00534%0.341CS..Hα-helixtrans-73.2-14.6-171.2-65.5179.3000114.2V6 H7 V10 C71 W72 H75 M221 I222 N227 Y228V6-L225 HydrophobicContact CG1-CB 4.17Å; V6-L225 HydrophobicContact CG1-CD1 4.32Å; V6-L225 HydrophobicContact CG1-CD2 3.95Å; V6-L225 HydrophobicContact CG1-CG 4.37Å; H7-L225 HydrophobicContact CB-CB 4.2Å; V10-L225 HydrophobicContact CG2-CD1 3.73Å; C71-L225 HydrophobicContact CB-CD2 4.38Å; W72-L225 HydrophobicContact CB-CD2 4.48Å; H75-L225 HydrophobicContact CB-CD2 4.02Å; M221-L225 HydrophobicContact CB-CD1 4.41Å; M221-L225 WeakPolarHBondContact O-CB 3.3Å; M221-L225 WeakPolarHBondContact O-CG 3.44Å; M221-L225 PolarHBondContact O-N 3.28Å; M221-L225 VanDerWaalsContact O-N 3.08Å; I222-L225 PolarHBondContact O-N 3.38Å; L225-N227 PolarHBondContact O-N 2.91Å; L225-Y228 PolarHBondContact O-N 3.02Å
226R95.3Very high92Very high125 Ų12578 Ų7847%0.47238%0.376SS..THydrogen-bonded Turntrans-65.4-23.3178.868.1-171.7174.1156.46.2114.2H7 I222 F223 E224 Y228H7-R226 HydrophobicContact CB-CB 4.38Å; I222-R226 VanDerWaalsContact O-CB 3.27Å; I222-R226 WeakPolarHBondContact O-CB 3.3Å; I222-R226 WeakPolarHBondContact O-CG 3.28Å; I222-R226 PolarHBondContact O-N 2.76Å; F223-R226 WeakPolarHBondContact O-CG 3.45Å; F223-R226 PolarHBondContact O-NE 2.67Å; E224-R226 VanDerWaalsContact C-N 3.26Å; E224-R226 PolarHBondContact O-N 3.16Å; R226-Y228 VanDerWaalsContact C-N 3.32Å
227N92.1Very high91.4Very high126 Ų12685.7 Ų85.767%0.67440%0.401SS*.THydrogen-bonded Turntrans-92.55.5179.8-64-23.2000112.7L225L225-N227 PolarHBondContact O-N 2.91Å
228Y94.7Very high90.8Very high59 Ų5992.1 Ų92.123%0.23143%0.434CS..  trans-115.1139.4-177.9-71.7-95.1000110.6V6 H75 N78 E224 L225 R226V6-Y228 WeakPolarHBondContact CB-O 3.28Å; V6-Y228 WeakPolarHBondContact CG2-O 3.47Å; V6-Y228 PolarHBondContact N-O 2.79Å; H75-Y228 HydrophobicContact CB-CD2 4.4Å; H75-Y228 HydrophobicContact CB-CE1 4.45Å; H75-Y228 HydrophobicContact CB-CE2 4.23Å; H75-Y228 AromaticContact CD2-CE2 3.22Å; H75-Y228 WeakPolarHBondContact CD2-CE2 3.37Å; H75-Y228 AromaticContact CD2-CZ 3.46Å; H75-Y228 VanDerWaalsContact CD2-CZ 3.46Å; H75-Y228 PolarHBondContact CD2-OH 3.12Å; N78-Y228 HydrophobicContact CB-CE1 4.06Å; N78-Y228 WeakPolarHBondContact OD1-CE1 3.4Å; N78-Y228 PolarHBondContact OD1-OH 2.61Å; E224-Y228 WeakPolarHBondContact O-CD2 3.33Å; L225-Y228 PolarHBondContact O-N 3.02Å; R226-Y228 VanDerWaalsContact C-N 3.32Å
229E94.4Very high90.2Very high125 Ų12596.7 Ų96.758%0.58446%0.464SS*.EExtended strand (participates in β ladder)trans-122.9141.5176.7-62.2-173.3163.600110.2S3 F4S3-E229 WeakPolarHBondContact CB-OE2 3.37Å; S3-E229 VanDerWaalsContact OG-CD 3.27Å; S3-E229 PolarHBondContact OG-OE2 2.66Å; F4-E229 CarbonylContact O-C 3.58Å; F4-E229 WeakPolarHBondContact O-CA 3.45Å
230L89.6Confident89.3Confident85 Ų85102.1 Ų102.145%0.44549%0.487SS..EExtended strand (participates in β ladder)trans-84.8115.5171.6-174.668.3000108.6F4 V6 F9F4-L230 HydrophobicContact CB-CB 4.45Å; F4-L230 PolarHBondContact N-O 2.61Å; F4-L230 PolarHBondContact O-N 3.24Å; V6-L230 HydrophobicContact CG2-CB 4.39Å; F9-L230 HydrophobicContact CE2-CD2 4.24Å; F9-L230 HydrophobicContact CZ-CD2 4.22Å
231E86.8Confident88.3Confident135 Ų135105.2 Ų105.263%0.63151%0.513SS*.PPolyproline II helixtrans-70140.3164.9-69-169.9178.600109.9K234E231-K234 IonicContact OE2-NZ 3.35Å
232S79.9Confident87.2Confident43 Ų43110.5 Ų110.530%0.30155%0.547SS..PPolyproline II helixtrans-50.7140.9175.952.30000112.5M1 K234M1-S232 VanDerWaalsContact CE-OG 3.22Å; M1-S232 WeakPolarHBondContact CE-OG 3.39Å; M1-S232 VanDerWaalsContact SD-CB 3.57Å; M1-S232 PolarHBondContact SD-OG 3.04Å; M1-S232 VanDerWaalsContact SD-OG 3.38Å; S232-K234 PolarHBondContact O-N 2.97Å
233V77.7Confident85.8Confident126 Ų126117 Ų11776%0.76458%0.577SS**PPolyproline II helixtrans-56.4119.2175.7-177.80000110.1I235V233-I235 PolarHBondContact O-N 3.43Å
234K81.5Confident84.3Confident167 Ų167120 Ų12073%0.72660%0.596SS**  trans-77.3109.5-179.5-66.2179-175.6169.10109.8E231 S232E231-K234 IonicContact OE2-NZ 3.35Å; S232-K234 PolarHBondContact O-N 2.97Å
235I81.8Confident82.3Confident165 Ų165126.3 Ų126.385%0.84663%0.631SS**PPolyproline II helixtrans-92.1118171.3-56.5176.2000108.3V233V233-I235 PolarHBondContact O-N 3.43Å
236R86.1Confident80.4Confident220 Ų220134.7 Ų134.783%0.8367%0.669SS**PPolyproline II helixtrans-103127.1176.6-175.4-176.9178.5-150.90.5110.1I238R236-I238 PolarHBondContact O-N 3.08Å
237R86.2Confident78.2Confident217 Ų217137.4 Ų137.482%0.81969%0.688SS**PPolyproline II helixtrans-74.4123.2168-171.8180-175.4-165.71.6109.4
238I86.9Confident76.3Confident136 Ų136135.1 Ų135.170%0.69769%0.686SS**PPolyproline II helixtrans-84.5116.2167.6-58173.2000106.5R236R236-I238 PolarHBondContact O-N 3.08Å
239V84.6Confident74.3Confident119 Ų119138 Ų13872%0.72171%0.712SS**  trans-85.2111.3173.5-178.70000107.1
240I79.9Confident72.6Confident149 Ų149140.3 Ų140.376%0.76473%0.727SS**PPolyproline II helixtrans-82.9116.4172.6-56.8173.1000106.1
241A77.2Confident70.7Confident76 Ų76144 Ų14463%0.62875%0.747SS**PPolyproline II helixtrans-65140172.500000109E243A241-E243 PolarHBondContact O-N 3.09Å
242P73.3Confident69.1Low111 Ų111146 Ų14672%0.72179%0.786SS**PPolyproline II helixtrans-59130175.723.2-30.8000109.7N244P242-N244 PolarHBondContact O-N 3.29Å
243E68.2Low68.5Low178 Ų178151.2 Ų151.283%0.83281%0.811SS**PPolyproline II helixtrans-57.4119.6167.3-85.4178157.900107.7A241 N245A241-E243 PolarHBondContact O-N 3.09Å; E243-N245 VanDerWaalsContact C-N 3.28Å; E243-N245 PolarHBondContact O-N 3.42Å
244N62.6Low68.1Low140 Ų140152.5 Ų152.575%0.74981%0.813SS**  trans-61.293.7173-75.5-10000108.2P242 E246P242-N244 PolarHBondContact O-N 3.29Å; N244-E246 PolarHBondContact O-N 3.02Å
245N54.3Low67.3Low150 Ų150151.7 Ų151.780%0.80282%0.818SS**  trans-71.260.7164.4-91.2-13.5000109.5E243 Q247E243-N245 VanDerWaalsContact C-N 3.28Å; E243-N245 PolarHBondContact O-N 3.42Å; N245-Q247 VanDerWaalsContact C-N 3.31Å; N245-Q247 PolarHBondContact O-N 3.13Å
246E55.7Low66.5Low176 Ų176150.9 Ų150.982%0.82282%0.816SS**  trans-95.366.4162.4-72.4-170.7169.700108.4N244N244-E246 PolarHBondContact O-N 3.02Å
247Q48.7Very low65.2Low183 Ų183146.6 Ų146.686%0.85582%0.816SS**  trans-118.698.7160.8-83.1-172.5-12.300108.3N245N245-Q247 VanDerWaalsContact C-N 3.31Å; N245-Q247 PolarHBondContact O-N 3.13Å
248A51.3Low63.8Low78 Ų78141.9 Ų141.965%0.64582%0.815SS**  171.2106122.800000108.9L250A248-L250 PolarHBondContact O-N 3.11Å
249P54Low62.2Low118 Ų118142.3 Ų142.377%0.76682%0.824SS**  trans-68.2112.916128.1-26.3000106.7L251P249-L251 VanDerWaalsContact C-N 3.3Å; P249-L251 PolarHBondContact O-N 3.4Å
250L57.3Low60.4Low174 Ų174144.1 Ų144.191%0.91183%0.832SS**  trans-65.998.2167.5-79.6167.1000107.7A248A248-L250 PolarHBondContact O-N 3.11Å
251L49.8Very low58.8Low163 Ų163143.7 Ų143.785%0.85384%0.837SS**  trans-62.3123162.7-74.5159.4000109.4P249P249-L251 VanDerWaalsContact C-N 3.3Å; P249-L251 PolarHBondContact O-N 3.4Å
252A53.6Low57.2Low177 Ų177149.8 Ų149.8100%1.46386%0.856SS**  trans1570132.400000110

Retrieved 252 of 252 residues in 165 ms (Link to these results)

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