A0A3Q0KLY8_SCHMA Loading...

Guanine-nucleotide-exchange-factor, putative

AlphaFold DB , UniProt , Accession A0A3Q0KLY8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 683 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
1M78.1Confident87.2Confident88 Ų8868.3 Ų68.343%0.43338%0.375SS..  0-74.50-167.7-163.7-64.200110.9S3 E4 I5 F55 C59 I63 L66M1-S3 VanDerWaalsContact C-N 3.32Å; M1-S3 PolarHBondContact O-N 2.85Å; M1-E4 PolarHBondContact O-N 3.17Å; M1-I5 HydrophobicContact CG-CD1 3.86Å; M1-I5 PolarHBondContact O-N 3.44Å; M1-F55 HydrophobicContact CB-CE1 4.5Å; M1-F55 HydrophobicContact CG-CE1 4.12Å; M1-C59 HydrophobicContact CE-CB 4.05Å; M1-I63 HydrophobicContact CE-CD1 3.43Å; M1-I63 VanDerWaalsContact CE-CD1 3.43Å; M1-L66 HydrophobicContact CE-CD2 3.87Å; M1-L66 HydrophobicContact SD-CD1 4.11Å; M1-L66 HydrophobicContact SD-CD2 3.77Å
2H84.6Confident87.8Confident141 Ų14163.3 Ų63.365%0.65335%0.347SS*.Hα-helixtrans-49.6-46.5-176.4-177.8-88.9000114.3E4 I5 F6H2-E4 VanDerWaalsContact C-N 3.29Å; H2-E4 PolarHBondContact O-N 3.3Å; H2-I5 PolarHBondContact O-N 3.17Å; H2-F6 AromaticContact CD2-CD2 3.54Å; H2-F6 AromaticContact NE2-CD2 3.93Å; H2-F6 WeakPolarHBondContact O-CB 3.39Å; H2-F6 PolarHBondContact O-N 3.01Å
3S87.8Confident88.4Confident83 Ų8366.3 Ų66.358%0.5836%0.362SS*.Hα-helixtrans-58.6-33.9177.351.30000114.4M1 G7M1-S3 VanDerWaalsContact C-N 3.32Å; M1-S3 PolarHBondContact O-N 2.85Å; S3-G7 VanDerWaalsContact O-CA 3.27Å; S3-G7 WeakPolarHBondContact O-CA 3.47Å; S3-G7 PolarHBondContact O-N 3.19Å; S3-G7 VanDerWaalsContact O-N 3.11Å
4E86.7Confident88.8Confident79 Ų7966 Ų6637%0.36937%0.367SS..Hα-helixtrans-80.4-45.6-177.7-158.860.9-121.700111.2M1 H2 R8 N52 F55M1-E4 PolarHBondContact O-N 3.17Å; H2-E4 VanDerWaalsContact C-N 3.29Å; H2-E4 PolarHBondContact O-N 3.3Å; E4-R8 IonicContact OE1-CZ 3.02Å; E4-R8 IonicContact OE1-NH1 3.78Å; E4-R8 PolarHBondContact OE1-NH1 2.86Å; E4-R8 IonicContact OE1-NH2 3.19Å; E4-N52 PolarHBondContact O-ND2 2.91Å; E4-F55 HydrophobicContact CB-CE1 4.41Å
5I85.3Confident89.1Confident7 Ų762.5 Ų62.54%0.03635%0.348CS..Hα-helixtrans-70.7-49.7-178.6-58.4177.7000111M1 H2 N52 F55 M56 L87M1-I5 HydrophobicContact CG-CD1 3.86Å; M1-I5 PolarHBondContact O-N 3.44Å; H2-I5 PolarHBondContact O-N 3.17Å; I5-N52 PolarHBondContact O-ND2 3.39Å; I5-F55 HydrophobicContact CD1-CD1 4.26Å; I5-F55 HydrophobicContact CD1-CE1 4.39Å; I5-F55 HydrophobicContact CG1-CD1 4.01Å; I5-F55 HydrophobicContact CG1-CE1 4.27Å; I5-M56 HydrophobicContact CD1-CB 4.21Å; I5-M56 HydrophobicContact CD1-CG 4.44Å; I5-L87 HydrophobicContact CG2-CD1 4.13Å; I5-L87 HydrophobicContact CG2-CD2 4.32Å
6F90.4Very high89.5Confident58 Ų5860.9 Ų60.925%0.25434%0.338SS..THydrogen-bonded Turntrans-110-17.4-168.5-55.7-75.9000114.7H2 R8 L9 L83 L87H2-F6 AromaticContact CD2-CD2 3.54Å; H2-F6 AromaticContact NE2-CD2 3.93Å; H2-F6 WeakPolarHBondContact O-CB 3.39Å; H2-F6 PolarHBondContact O-N 3.01Å; F6-R8 PolarHBondContact O-N 3.41Å; F6-L9 HydrophobicContact CB-CD1 4.49Å; F6-L9 HydrophobicContact CD1-CD1 3.94Å; F6-L9 WeakPolarHBondContact O-CB 3.41Å; F6-L9 PolarHBondContact O-N 3.17Å; F6-L83 HydrophobicContact CE1-CD1 4.01Å; F6-L83 HydrophobicContact CZ-CD1 4.08Å; F6-L83 HydrophobicContact CZ-CD2 4.33Å; F6-L87 HydrophobicContact CD1-CD2 4.28Å; F6-L87 HydrophobicContact CE1-CD2 4.08Å
7G83.1Confident89.9Confident33 Ų3363.6 Ų63.634%0.3435%0.348SS..THydrogen-bonded Turntrans-58.9-28.5-170.400000114.7S3S3-G7 VanDerWaalsContact O-CA 3.27Å; S3-G7 WeakPolarHBondContact O-CA 3.47Å; S3-G7 PolarHBondContact O-N 3.19Å; S3-G7 VanDerWaalsContact O-N 3.11Å
8R87.3Confident90.2Very high55 Ų5562.7 Ų62.721%0.20835%0.345CS..THydrogen-bonded Turntrans-82.9-7.9177.6-68.2173.6-178.393.67.1114.4E4 F6 D44 Y45E4-R8 IonicContact OE1-CZ 3.02Å; E4-R8 IonicContact OE1-NH1 3.78Å; E4-R8 PolarHBondContact OE1-NH1 2.86Å; E4-R8 IonicContact OE1-NH2 3.19Å; F6-R8 PolarHBondContact O-N 3.41Å; R8-D44 WeakPolarHBondContact CD-OD2 3.49Å; R8-D44 WeakPolarHBondContact CG-OD2 3.19Å; R8-D44 IonicContact NE-OD2 3.96Å; R8-D44 PolarHBondContact NE-OD2 3.06Å; R8-Y45 HydrophobicContact CB-CD2 3.95Å
9L92.2Very high90.5Very high42 Ų4259.8 Ų59.822%0.2233%0.329CS..Hα-helixtrans-80.2-25.1174-64.7174000112.5F6 I12 L13 Y45 L87 P90F6-L9 HydrophobicContact CB-CD1 4.49Å; F6-L9 HydrophobicContact CD1-CD1 3.94Å; F6-L9 WeakPolarHBondContact O-CB 3.41Å; F6-L9 PolarHBondContact O-N 3.17Å; L9-I12 CarbonylContact O-C 3.59Å; L9-I12 WeakPolarHBondContact O-CB 3.41Å; L9-I12 PolarHBondContact O-N 3.45Å; L9-I12 VanDerWaalsContact O-N 3.12Å; L9-L13 PolarHBondContact O-N 3.24Å; L9-Y45 HydrophobicContact CD1-CE2 4.45Å; L9-Y45 HydrophobicContact CD2-CD2 3.78Å; L9-Y45 HydrophobicContact CD2-CE1 4.17Å; L9-Y45 HydrophobicContact CD2-CE2 3.38Å; L9-Y45 HydrophobicContact CD2-CG 4.34Å; L9-Y45 HydrophobicContact CG-CD2 4.23Å; L9-Y45 HydrophobicContact CG-CE2 3.75Å; L9-L87 HydrophobicContact CD1-CD2 4.19Å; L9-P90 HydrophobicContact CD2-CB 4.48Å; L9-P90 HydrophobicContact CD2-CG 3.77Å
10V92.3Very high90.7Very high101 Ų10162.3 Ų62.361%0.61234%0.341SS*.Hα-helixtrans-61.8-45.4-177.6-178.40000112.4I12 L13 S14V10-I12 VanDerWaalsContact C-N 3.32Å; V10-I12 PolarHBondContact O-N 3.22Å; V10-L13 PolarHBondContact O-N 2.84Å; V10-S14 PolarHBondContact O-N 3.35Å
11P92Very high91Very high64 Ų6465 Ų6542%0.41635%0.351SS..Hα-helixtrans-63.1-36.8172.3-22.534.8000113S14 V15P11-S14 PolarHBondContact O-N 3.06Å; P11-V15 WeakPolarHBondContact O-CG2 3.26Å; P11-V15 PolarHBondContact O-N 3.24Å; P11-V15 VanDerWaalsContact O-N 3.12Å
12I94.4Very high91.8Very high9 Ų960.8 Ų60.85%0.04633%0.331CS..Hα-helixtrans-65.1-42.6178-68.9174.7000110.7L9 V10 V15 N16 Y42 Y45L9-I12 CarbonylContact O-C 3.59Å; L9-I12 WeakPolarHBondContact O-CB 3.41Å; L9-I12 PolarHBondContact O-N 3.45Å; L9-I12 VanDerWaalsContact O-N 3.12Å; V10-I12 VanDerWaalsContact C-N 3.32Å; V10-I12 PolarHBondContact O-N 3.22Å; I12-V15 PolarHBondContact O-N 3.37Å; I12-N16 PolarHBondContact O-N 2.93Å; I12-N16 VanDerWaalsContact O-N 3.09Å; I12-N16 PolarHBondContact O-ND2 3.32Å; I12-Y42 HydrophobicContact CD1-CD1 4.09Å; I12-Y42 HydrophobicContact CD1-CE1 4.46Å; I12-Y42 HydrophobicContact CD1-CG 4.19Å; I12-Y42 HydrophobicContact CG1-CD2 4.3Å; I12-Y42 HydrophobicContact CG1-CE2 4.45Å; I12-Y42 HydrophobicContact CG1-CG 4.41Å; I12-Y42 HydrophobicContact CG2-CD1 4.42Å; I12-Y42 HydrophobicContact CG2-CE1 3.77Å; I12-Y42 HydrophobicContact CG2-CE2 3.99Å; I12-Y45 HydrophobicContact CD1-CD1 4.39Å; I12-Y45 HydrophobicContact CD1-CG 3.93Å
13L94.7Very high92.3Very high102 Ų10256.3 Ų56.353%0.53431%0.313SS..Hα-helixtrans-57.4-51.6176.4178.960.3000110.8L9 V10 V15 N16 E17L9-L13 PolarHBondContact O-N 3.24Å; V10-L13 PolarHBondContact O-N 2.84Å; L13-V15 VanDerWaalsContact C-N 3.29Å; L13-V15 PolarHBondContact O-N 3.42Å; L13-N16 WeakPolarHBondContact O-CA 3.4Å; L13-N16 PolarHBondContact O-N 3.06Å; L13-E17 HydrophobicContact CD1-CG 4.32Å; L13-E17 HydrophobicContact CG-CG 4.44Å; L13-E17 WeakPolarHBondContact O-CG 3.42Å; L13-E17 PolarHBondContact O-N 3.44Å
14S94Very high92.6Very high62 Ų6258.9 Ų58.943%0.43432%0.319SS..Hα-helixtrans-58.1-37.3178.4-178.20000113.4V10 P11 E17 T18V10-S14 PolarHBondContact O-N 3.35Å; P11-S14 PolarHBondContact O-N 3.06Å; S14-E17 WeakPolarHBondContact CA-OE2 3.37Å; S14-T18 WeakPolarHBondContact O-CB 3.24Å; S14-T18 PolarHBondContact O-N 2.99Å; S14-T18 PolarHBondContact O-OG1 3.18Å
15V94.4Very high93Very high13 Ų1359.7 Ų59.78%0.07933%0.33CS..Hα-helixtrans-64.3-38172.9170.40000111.9P11 I12 L13 L19 I35 C38 L39 L41P11-V15 WeakPolarHBondContact O-CG2 3.26Å; P11-V15 PolarHBondContact O-N 3.24Å; P11-V15 VanDerWaalsContact O-N 3.12Å; I12-V15 PolarHBondContact O-N 3.37Å; L13-V15 VanDerWaalsContact C-N 3.29Å; L13-V15 PolarHBondContact O-N 3.42Å; V15-L19 WeakPolarHBondContact O-CB 3.24Å; V15-L19 PolarHBondContact O-N 3.29Å; V15-I35 HydrophobicContact CG1-CD1 4.03Å; V15-I35 HydrophobicContact CG1-CG1 3.79Å; V15-C38 HydrophobicContact CG1-CB 4.17Å; V15-C38 HydrophobicContact CG2-CB 4.08Å; V15-L39 HydrophobicContact CG1-CD2 4.05Å; V15-L41 HydrophobicContact CG2-CD1 3.83Å
16N95.1Very high93.3Very high37 Ų3762.4 Ų62.420%0.19835%0.346CS..Hα-helixtrans-76.8-34.2179.1-75.9-94000112.8I12 L13 L19 L20 Y42 Y97I12-N16 PolarHBondContact O-N 2.93Å; I12-N16 VanDerWaalsContact O-N 3.09Å; I12-N16 PolarHBondContact O-ND2 3.32Å; L13-N16 WeakPolarHBondContact O-CA 3.4Å; L13-N16 PolarHBondContact O-N 3.06Å; N16-L19 PolarHBondContact O-N 3.45Å; N16-L20 WeakPolarHBondContact O-CB 3.49Å; N16-L20 PolarHBondContact O-N 3.02Å; N16-Y42 PolarHBondContact ND2-OH 3.34Å; N16-Y42 PolarHBondContact OD1-OH 3.41Å; N16-Y97 PolarHBondContact OD1-OH 3.33Å; N16-Y97 VanDerWaalsContact OD1-OH 3.06Å
17E96.2Very high93.4Very high107 Ų10760.7 Ų60.750%0.535%0.346SS..Hα-helixtrans-60.1-47.5170-69.1168.8159.800110.2L13 S14 L19 L20 E21L13-E17 HydrophobicContact CD1-CG 4.32Å; L13-E17 HydrophobicContact CG-CG 4.44Å; L13-E17 WeakPolarHBondContact O-CG 3.42Å; L13-E17 PolarHBondContact O-N 3.44Å; S14-E17 WeakPolarHBondContact CA-OE2 3.37Å; E17-L19 VanDerWaalsContact C-N 3.32Å; E17-L19 PolarHBondContact O-N 3.26Å; E17-L20 PolarHBondContact O-N 3Å; E17-E21 WeakPolarHBondContact O-CB 3.29Å; E17-E21 PolarHBondContact O-N 3.45Å
18T95Very high93.9Very high48 Ų4861.5 Ų61.529%0.29434%0.344SS..Hα-helixtrans-62.4-36.9175.9-52.30000112.5S14 S22 I35S14-T18 WeakPolarHBondContact O-CB 3.24Å; S14-T18 PolarHBondContact O-N 2.99Å; S14-T18 PolarHBondContact O-OG1 3.18Å; T18-S22 VanDerWaalsContact O-CB 3.26Å; T18-S22 WeakPolarHBondContact O-CB 3.47Å; T18-S22 PolarHBondContact O-N 2.8Å; T18-S22 PolarHBondContact O-OG 3.13Å; T18-I35 HydrophobicContact CG2-CD1 3.94Å
19L95.4Very high94Very high8 Ų861.3 Ų61.34%0.04235%0.345CS..Hα-helixtrans-66.6-46.6174.2175.153.6000111.3V15 N16 E17 S22 V23 A31 F32 I35 Y97V15-L19 WeakPolarHBondContact O-CB 3.24Å; V15-L19 PolarHBondContact O-N 3.29Å; N16-L19 PolarHBondContact O-N 3.45Å; E17-L19 VanDerWaalsContact C-N 3.32Å; E17-L19 PolarHBondContact O-N 3.26Å; L19-S22 PolarHBondContact O-N 2.85Å; L19-V23 HydrophobicContact CD1-CG2 3.93Å; L19-V23 WeakPolarHBondContact O-CG2 3.25Å; L19-V23 PolarHBondContact O-N 3.36Å; L19-A31 HydrophobicContact CD1-CB 4.1Å; L19-F32 HydrophobicContact CD1-CD1 4.47Å; L19-F32 HydrophobicContact CD1-CE1 4.35Å; L19-F32 HydrophobicContact CD1-CZ 4.37Å; L19-F32 HydrophobicContact CD2-CE1 4.04Å; L19-F32 HydrophobicContact CD2-CZ 4.23Å; L19-I35 HydrophobicContact CB-CG1 4.19Å; L19-I35 HydrophobicContact CD1-CB 4.38Å; L19-I35 HydrophobicContact CD1-CG2 3.91Å; L19-I35 HydrophobicContact CD2-CG2 4.36Å; L19-Y97 HydrophobicContact CD2-CE1 4.33Å; L19-Y97 HydrophobicContact CD2-CE2 4.18Å; L19-Y97 WeakPolarHBondContact CD2-OH 3.44Å
20L96.1Very high94Very high108 Ų10864.4 Ų64.457%0.56536%0.357SS*.Hα-helixtrans-60.4-48.2178.4178.660.7000111.1N16 E17 S22 V23 L24N16-L20 WeakPolarHBondContact O-CB 3.49Å; N16-L20 PolarHBondContact O-N 3.02Å; E17-L20 PolarHBondContact O-N 3Å; L20-S22 VanDerWaalsContact C-N 3.32Å; L20-S22 PolarHBondContact O-N 3.08Å; L20-V23 PolarHBondContact O-N 3.09Å; L20-L24 HydrophobicContact CD1-CD1 4.09Å; L20-L24 HydrophobicContact CD1-CG 4.35Å; L20-L24 HydrophobicContact CG-CD1 4.12Å; L20-L24 VanDerWaalsContact O-CG 3.3Å; L20-L24 WeakPolarHBondContact O-CG 3.38Å; L20-L24 PolarHBondContact O-N 3.2Å
21E95.7Very high94.1Very high120 Ų12059.6 Ų59.656%0.56133%0.328SS*.Hα-helixtrans-57-45.3173.8-173.1-169176.900111.3E17 L24 T25E17-E21 WeakPolarHBondContact O-CB 3.29Å; E17-E21 PolarHBondContact O-N 3.45Å; E21-L24 PolarHBondContact O-N 3.04Å; E21-T25 HydrophobicContact CG-CG2 4.4Å; E21-T25 WeakPolarHBondContact O-CB 3.32Å; E21-T25 VanDerWaalsContact O-CG2 3.32Å; E21-T25 WeakPolarHBondContact O-CG2 3.45Å; E21-T25 PolarHBondContact O-N 2.97Å; E21-T25 PolarHBondContact O-OG1 3.06Å
22S94.6Very high94.2Very high0 Ų057.3 Ų57.30%031%0.311CS..Hα-helixtrans-66.1-39.5179.8-59.50000112.2T18 L19 L20 L24 T25 V26 K34T18-S22 VanDerWaalsContact O-CB 3.26Å; T18-S22 WeakPolarHBondContact O-CB 3.47Å; T18-S22 PolarHBondContact O-N 2.8Å; T18-S22 PolarHBondContact O-OG 3.13Å; L19-S22 PolarHBondContact O-N 2.85Å; L20-S22 VanDerWaalsContact C-N 3.32Å; L20-S22 PolarHBondContact O-N 3.08Å; S22-L24 VanDerWaalsContact C-N 3.34Å; S22-L24 PolarHBondContact O-N 2.9Å; S22-T25 PolarHBondContact O-N 3.26Å; S22-T25 PolarHBondContact O-OG1 2.98Å; S22-V26 WeakPolarHBondContact O-CG2 3.47Å; S22-V26 PolarHBondContact O-N 2.97Å; S22-K34 PolarHBondContact OG-NZ 2.7Å; S22-K34 VanDerWaalsContact OG-NZ 3.1Å
23V95.1Very high94.1Very high46 Ų4659.2 Ų59.228%0.27932%0.321SS..Hα-helixtrans-61.9-42.8175166.40000111.1L19 L20 G27 V28 A31L19-V23 HydrophobicContact CD1-CG2 3.93Å; L19-V23 WeakPolarHBondContact O-CG2 3.25Å; L19-V23 PolarHBondContact O-N 3.36Å; L20-V23 PolarHBondContact O-N 3.09Å; V23-G27 PolarHBondContact O-N 3.42Å; V23-V28 HydrophobicContact CG1-CG2 3.92Å; V23-A31 HydrophobicContact CB-CB 4.37Å; V23-A31 HydrophobicContact CG2-CB 3.62Å
24L95.7Very high93.9Very high137 Ų13760.2 Ų60.272%0.71732%0.321SS*.Hα-helixtrans-72.5-26.4-179.6-67.1171.6000113.6L20 E21 S22L20-L24 HydrophobicContact CD1-CD1 4.09Å; L20-L24 HydrophobicContact CD1-CG 4.35Å; L20-L24 HydrophobicContact CG-CD1 4.12Å; L20-L24 VanDerWaalsContact O-CG 3.3Å; L20-L24 WeakPolarHBondContact O-CG 3.38Å; L20-L24 PolarHBondContact O-N 3.2Å; E21-L24 PolarHBondContact O-N 3.04Å; S22-L24 VanDerWaalsContact C-N 3.34Å; S22-L24 PolarHBondContact O-N 2.9Å
25T94.5Very high93.8Very high96 Ų9657.5 Ų57.559%0.58930%0.302SS*.Hα-helixtrans-102.5-38.8-173.252.80000114.8E21 S22E21-T25 HydrophobicContact CG-CG2 4.4Å; E21-T25 WeakPolarHBondContact O-CB 3.32Å; E21-T25 VanDerWaalsContact O-CG2 3.32Å; E21-T25 WeakPolarHBondContact O-CG2 3.45Å; E21-T25 PolarHBondContact O-N 2.97Å; E21-T25 PolarHBondContact O-OG1 3.06Å; S22-T25 PolarHBondContact O-N 3.26Å; S22-T25 PolarHBondContact O-OG1 2.98Å
26V91.3Very high93.5Very high64 Ų6456.9 Ų56.939%0.38830%0.298SS..Hα-helixtrans-118.8-2-173.9-59.20000114.9S22 K30S22-V26 WeakPolarHBondContact O-CG2 3.47Å; S22-V26 PolarHBondContact O-N 2.97Å; V26-K30 HydrophobicContact CB-CB 4.26Å; V26-K30 HydrophobicContact CB-CD 4.42Å; V26-K30 HydrophobicContact CG2-CB 3.82Å
27G92.8Very high93.1Very high23 Ų2357.8 Ų57.824%0.23731%0.306CS..  trans89.9156-176.300000113.7V23 E29 K30 A31V23-G27 PolarHBondContact O-N 3.42Å; G27-E29 VanDerWaalsContact C-N 3.29Å; G27-E29 PolarHBondContact O-N 3Å; G27-K30 PolarHBondContact O-N 3.45Å; G27-A31 VanDerWaalsContact O-CB 3.27Å; G27-A31 WeakPolarHBondContact O-CB 3.38Å; G27-A31 PolarHBondContact O-N 3.07Å
28V93.3Very high92.9Very high49 Ų4955.3 Ų55.330%0.29730%0.3SS..Hα-helixtrans-60-40.3-176.4175.80000111.3V23 K30 A31 F32 L101 L104V23-V28 HydrophobicContact CG1-CG2 3.92Å; V28-K30 PolarHBondContact O-N 3.43Å; V28-A31 PolarHBondContact O-N 2.99Å; V28-F32 HydrophobicContact CG1-CD2 3.97Å; V28-F32 HydrophobicContact CG1-CE2 4.05Å; V28-F32 PolarHBondContact O-N 3.48Å; V28-L101 HydrophobicContact CG1-CD2 4.29Å; V28-L104 HydrophobicContact CG1-CD2 3.86Å
29E88.6Confident92.8Very high52 Ų5253 Ų5324%0.24329%0.286CS..Hα-helixtrans-58.8-44.6-177.567.4-74.9-174.900112.1G27 I181 L182G27-E29 VanDerWaalsContact C-N 3.29Å; G27-E29 PolarHBondContact O-N 3Å; E29-I181 HydrophobicContact CB-CG2 4.29Å; E29-I181 HydrophobicContact CG-CG2 4.38Å; E29-I181 WeakPolarHBondContact O-CG2 3.49Å; E29-L182 HydrophobicContact CB-CB 3.88Å; E29-L182 HydrophobicContact CB-CD1 4.36Å
30K92.6Very high92.5Very high106 Ų10655.3 Ų55.346%0.46130%0.295SS..Hα-helixtrans-83.2-33178.4-72.3171.3-172.3169.40112.7V26 G27 V28 F32 L33 K34 I181V26-K30 HydrophobicContact CB-CB 4.26Å; V26-K30 HydrophobicContact CB-CD 4.42Å; V26-K30 HydrophobicContact CG2-CB 3.82Å; G27-K30 PolarHBondContact O-N 3.45Å; V28-K30 PolarHBondContact O-N 3.43Å; K30-F32 PolarHBondContact O-N 2.91Å; K30-L33 PolarHBondContact O-N 2.89Å; K30-K34 WeakPolarHBondContact O-CB 3.45Å; K30-K34 PolarHBondContact O-N 3.4Å; K30-I181 HydrophobicContact CG-CG2 3.98Å
31A95.2Very high92.2Very high0 Ų054.5 Ų54.50%029%0.291CS..Hα-helixtrans-60.9-44.2-175.600000112.7L19 V23 G27 V28 K34 I35L19-A31 HydrophobicContact CD1-CB 4.1Å; V23-A31 HydrophobicContact CB-CB 4.37Å; V23-A31 HydrophobicContact CG2-CB 3.62Å; G27-A31 VanDerWaalsContact O-CB 3.27Å; G27-A31 WeakPolarHBondContact O-CB 3.38Å; G27-A31 PolarHBondContact O-N 3.07Å; V28-A31 PolarHBondContact O-N 2.99Å; A31-K34 PolarHBondContact O-N 3.28Å; A31-I35 PolarHBondContact O-N 3.32Å
32F94.1Very high92.1Very high16 Ų1648.9 Ų48.97%0.0727%0.265CS..Hα-helixtrans-69.5-38.5178.8-82.8-77000113.2L19 V28 K30 K34 I35 S36 Y97 L101 V189L19-F32 HydrophobicContact CD1-CD1 4.47Å; L19-F32 HydrophobicContact CD1-CE1 4.35Å; L19-F32 HydrophobicContact CD1-CZ 4.37Å; L19-F32 HydrophobicContact CD2-CE1 4.04Å; L19-F32 HydrophobicContact CD2-CZ 4.23Å; V28-F32 HydrophobicContact CG1-CD2 3.97Å; V28-F32 HydrophobicContact CG1-CE2 4.05Å; V28-F32 PolarHBondContact O-N 3.48Å; K30-F32 PolarHBondContact O-N 2.91Å; F32-K34 VanDerWaalsContact C-N 3.29Å; F32-K34 PolarHBondContact O-N 3.1Å; F32-I35 HydrophobicContact CD1-CG2 4.36Å; F32-I35 PolarHBondContact O-N 3.15Å; F32-S36 VanDerWaalsContact O-CB 3.3Å; F32-S36 WeakPolarHBondContact O-CB 3.37Å; F32-S36 PolarHBondContact O-N 3.24Å; F32-Y97 AromaticContact CE1-CD1 3.83Å; F32-Y97 HydrophobicContact CE1-CD1 3.83Å; F32-Y97 HydrophobicContact CE1-CD2 4.07Å; F32-Y97 HydrophobicContact CE1-CE1 4.22Å; F32-Y97 HydrophobicContact CE1-CE2 4.45Å; F32-Y97 AromaticContact CE1-CG 3.76Å; F32-Y97 HydrophobicContact CE1-CG 3.76Å; F32-Y97 AromaticContact CZ-CD1 3.64Å; F32-Y97 HydrophobicContact CZ-CD1 3.64Å; F32-Y97 AromaticContact CZ-CE1 3.95Å; F32-Y97 HydrophobicContact CZ-CE1 3.95Å; F32-Y97 HydrophobicContact CZ-CG 4.05Å; F32-L101 HydrophobicContact CB-CD1 4.33Å; F32-L101 HydrophobicContact CD1-CD1 3.86Å; F32-L101 HydrophobicContact CD2-CD1 4.06Å; F32-L101 HydrophobicContact CD2-CD2 3.73Å; F32-L101 HydrophobicContact CD2-CG 4.37Å; F32-L101 HydrophobicContact CE1-CD1 4.12Å; F32-L101 HydrophobicContact CE2-CD1 4.31Å; F32-L101 HydrophobicContact CE2-CD2 3.95Å; F32-L101 HydrophobicContact CE2-CG 4.38Å; F32-L101 HydrophobicContact CG-CD1 3.8Å; F32-L101 HydrophobicContact CG-CD2 4.26Å; F32-L101 HydrophobicContact CZ-CD1 4.33Å; F32-V189 HydrophobicContact CB-CG2 4.37Å; F32-V189 HydrophobicContact CD1-CG2 3.7Å; F32-V189 HydrophobicContact CE1-CG2 4.46Å; F32-V189 HydrophobicContact CG-CG2 4.4Å
33L91.2Very high91.9Very high50 Ų5049.6 Ų49.626%0.26227%0.271SS..Hα-helixtrans-60-40.3173.7-178.562.9000111.8K30 A141 L145 I181 A184K30-L33 PolarHBondContact O-N 2.89Å; L33-A141 HydrophobicContact CD1-CB 3.58Å; L33-L145 HydrophobicContact CD1-CD1 4.42Å; L33-L145 HydrophobicContact CD2-CD1 4.07Å; L33-I181 HydrophobicContact CD2-CG2 4.17Å; L33-A184 HydrophobicContact CD1-CB 4.4Å
34K90.5Very high91.6Very high123 Ų12351 Ų5154%0.53528%0.277SS..Hα-helixtrans-68.8-42.6177.1-177.4-175.7171.2-162.80112.9S22 K30 A31 F32S22-K34 PolarHBondContact OG-NZ 2.7Å; S22-K34 VanDerWaalsContact OG-NZ 3.1Å; K30-K34 WeakPolarHBondContact O-CB 3.45Å; K30-K34 PolarHBondContact O-N 3.4Å; A31-K34 PolarHBondContact O-N 3.28Å; F32-K34 VanDerWaalsContact C-N 3.29Å; F32-K34 PolarHBondContact O-N 3.1Å
35I92.1Very high91.4Very high5 Ų544.6 Ų44.63%0.02624%0.243CC..Hα-helixtrans-85.1-23.8-174.2-150.868.7000114.2V15 T18 L19 A31 F32 P37 C38 L39V15-I35 HydrophobicContact CG1-CD1 4.03Å; V15-I35 HydrophobicContact CG1-CG1 3.79Å; T18-I35 HydrophobicContact CG2-CD1 3.94Å; L19-I35 HydrophobicContact CB-CG1 4.19Å; L19-I35 HydrophobicContact CD1-CB 4.38Å; L19-I35 HydrophobicContact CD1-CG2 3.91Å; L19-I35 HydrophobicContact CD2-CG2 4.36Å; A31-I35 PolarHBondContact O-N 3.32Å; F32-I35 HydrophobicContact CD1-CG2 4.36Å; F32-I35 PolarHBondContact O-N 3.15Å; I35-P37 VanDerWaalsContact C-N 3.35Å; I35-P37 VanDerWaalsContact O-N 3.14Å; I35-C38 HydrophobicContact CD1-CB 4.32Å; I35-C38 HydrophobicContact CG1-CB 4.41Å; I35-C38 WeakPolarHBondContact O-CA 3.42Å; I35-C38 VanDerWaalsContact O-CB 3.31Å; I35-C38 WeakPolarHBondContact O-CB 3.24Å; I35-C38 PolarHBondContact O-N 3.02Å; I35-L39 HydrophobicContact CG2-CD1 4.15Å; I35-L39 HydrophobicContact CG2-CD2 4.21Å; I35-L39 HydrophobicContact CG2-CG 4.08Å; I35-L39 PolarHBondContact O-N 2.92Å
36S88.1Confident91.2Very high0 Ų040.3 Ų40.30%022%0.217CC..Hα-helixtrans-48.5-44.2-170.2-176.80000114.8F32 C38 L39 S188 T192F32-S36 VanDerWaalsContact O-CB 3.3Å; F32-S36 WeakPolarHBondContact O-CB 3.37Å; F32-S36 PolarHBondContact O-N 3.24Å; S36-C38 PolarHBondContact O-N 2.94Å; S36-L39 WeakPolarHBondContact O-CB 3.47Å; S36-L39 PolarHBondContact O-N 2.96Å; S36-L39 VanDerWaalsContact O-N 3.11Å; S36-S188 VanDerWaalsContact CB-OG 3.3Å; S36-S188 WeakPolarHBondContact CB-OG 3.28Å; S36-S188 VanDerWaalsContact OG-CB 3.26Å; S36-S188 WeakPolarHBondContact OG-CB 3.34Å; S36-S188 PolarHBondContact OG-O 3.03Å; S36-S188 PolarHBondContact OG-OG 3.02Å; S36-T192 PolarHBondContact OG-OG1 3.04Å
37P87.7Confident91Very high56 Ų5638.7 Ų38.736%0.36421%0.209SC..Hα-helixtrans-57.5-35.5176.2-21.632.2000113.5I35 E138I35-P37 VanDerWaalsContact C-N 3.35Å; I35-P37 VanDerWaalsContact O-N 3.14Å; P37-E138 HydrophobicContact CB-CG 4.2Å; P37-E138 HydrophobicContact CG-CG 3.93Å
38C91.8Very high90.7Very high54 Ų5440 Ų4037%0.36521%0.206SC..Hα-helixtrans-76-23.5-178.9-580000113V15 I35 S36 K40 L41V15-C38 HydrophobicContact CG1-CB 4.17Å; V15-C38 HydrophobicContact CG2-CB 4.08Å; I35-C38 HydrophobicContact CD1-CB 4.32Å; I35-C38 HydrophobicContact CG1-CB 4.41Å; I35-C38 WeakPolarHBondContact O-CA 3.42Å; I35-C38 VanDerWaalsContact O-CB 3.31Å; I35-C38 WeakPolarHBondContact O-CB 3.24Å; I35-C38 PolarHBondContact O-N 3.02Å; S36-C38 PolarHBondContact O-N 2.94Å; C38-K40 PolarHBondContact O-N 3.45Å; C38-K40 VanDerWaalsContact O-N 3.13Å; C38-L41 WeakPolarHBondContact O-CB 3.12Å; C38-L41 WeakPolarHBondContact O-CG 3.32Å; C38-L41 PolarHBondContact O-N 3.46Å
39L92.3Very high90.5Very high1 Ų138.9 Ų38.91%0.00520%0.197CC..Hα-helixtrans-62.9-18.5177.4-63-179.9000112.5V15 I35 S36 L41 Y42 I94 V189 T192V15-L39 HydrophobicContact CG1-CD2 4.05Å; I35-L39 HydrophobicContact CG2-CD1 4.15Å; I35-L39 HydrophobicContact CG2-CD2 4.21Å; I35-L39 HydrophobicContact CG2-CG 4.08Å; I35-L39 PolarHBondContact O-N 2.92Å; S36-L39 WeakPolarHBondContact O-CB 3.47Å; S36-L39 PolarHBondContact O-N 2.96Å; S36-L39 VanDerWaalsContact O-N 3.11Å; L39-L41 PolarHBondContact O-N 2.93Å; L39-L41 VanDerWaalsContact O-N 3.17Å; L39-Y42 HydrophobicContact CD2-CE2 3.99Å; L39-Y42 WeakPolarHBondContact O-CB 3.38Å; L39-Y42 VanDerWaalsContact O-CD2 3.23Å; L39-Y42 WeakPolarHBondContact O-CD2 3.26Å; L39-Y42 PolarHBondContact O-N 2.68Å; L39-I94 HydrophobicContact CB-CD1 4.3Å; L39-I94 HydrophobicContact CD1-CD1 4.31Å; L39-I94 HydrophobicContact CD2-CD1 3.98Å; L39-I94 HydrophobicContact CG-CD1 4.42Å; L39-V189 HydrophobicContact CD1-CG2 4.15Å; L39-T192 HydrophobicContact CB-CG2 3.84Å
40K89.5Confident90.4Very high55 Ų5542 Ų4224%0.23921%0.212CC..THydrogen-bonded Turntrans-59.5-22.3170.9-67.6178.7178.1168.70113.9C38 Y42 A43 E138 T192 F195C38-K40 PolarHBondContact O-N 3.45Å; C38-K40 VanDerWaalsContact O-N 3.13Å; K40-Y42 PolarHBondContact O-N 3.24Å; K40-A43 WeakPolarHBondContact O-CB 3.5Å; K40-A43 PolarHBondContact O-N 3.1Å; K40-E138 WeakPolarHBondContact CE-OE1 3.19Å; K40-E138 IonicContact NZ-OE1 2.72Å; K40-E138 PolarHBondContact NZ-OE1 3.38Å; K40-E138 IonicContact NZ-OE2 3.74Å; K40-E138 PolarHBondContact NZ-OE2 3.41Å; K40-T192 HydrophobicContact CG-CG2 4.42Å; K40-F195 HydrophobicContact CB-CE1 4.01Å; K40-F195 HydrophobicContact CD-CE1 4.2Å; K40-F195 HydrophobicContact CD-CZ 4.45Å; K40-F195 HydrophobicContact CG-CD1 3.99Å; K40-F195 HydrophobicContact CG-CE1 3.82Å
41L89.6Confident90Very high91 Ų9141 Ų4148%0.47622%0.215SC..THydrogen-bonded Turntrans-60.7-22.6176.4-69.1171.7000112.9V15 C38 L39 A43 D44V15-L41 HydrophobicContact CG2-CD1 3.83Å; C38-L41 WeakPolarHBondContact O-CB 3.12Å; C38-L41 WeakPolarHBondContact O-CG 3.32Å; C38-L41 PolarHBondContact O-N 3.46Å; L39-L41 PolarHBondContact O-N 2.93Å; L39-L41 VanDerWaalsContact O-N 3.17Å; L41-A43 PolarHBondContact O-N 3.47Å; L41-D44 PolarHBondContact O-N 3.49Å
42Y93.5Very high89.7Confident3 Ų341.2 Ų41.21%0.01222%0.216CC..Hα-helixtrans-61.4-22.2173.6-77.3-110.1000113.3I12 N16 L39 K40 D44 Y45 A46 P90 R93 I94I12-Y42 HydrophobicContact CD1-CD1 4.09Å; I12-Y42 HydrophobicContact CD1-CE1 4.46Å; I12-Y42 HydrophobicContact CD1-CG 4.19Å; I12-Y42 HydrophobicContact CG1-CD2 4.3Å; I12-Y42 HydrophobicContact CG1-CE2 4.45Å; I12-Y42 HydrophobicContact CG1-CG 4.41Å; I12-Y42 HydrophobicContact CG2-CD1 4.42Å; I12-Y42 HydrophobicContact CG2-CE1 3.77Å; I12-Y42 HydrophobicContact CG2-CE2 3.99Å; N16-Y42 PolarHBondContact ND2-OH 3.34Å; N16-Y42 PolarHBondContact OD1-OH 3.41Å; L39-Y42 HydrophobicContact CD2-CE2 3.99Å; L39-Y42 WeakPolarHBondContact O-CB 3.38Å; L39-Y42 VanDerWaalsContact O-CD2 3.23Å; L39-Y42 WeakPolarHBondContact O-CD2 3.26Å; L39-Y42 PolarHBondContact O-N 2.68Å; K40-Y42 PolarHBondContact O-N 3.24Å; Y42-D44 PolarHBondContact O-N 3.21Å; Y42-Y45 PolarHBondContact O-N 3.36Å; Y42-A46 WeakPolarHBondContact O-CB 3.26Å; Y42-A46 PolarHBondContact O-N 3.04Å; Y42-P90 HydrophobicContact CD1-CB 4.26Å; Y42-P90 VanDerWaalsContact CD1-O 3.28Å; Y42-P90 WeakPolarHBondContact CD1-O 3.43Å; Y42-P90 HydrophobicContact CE1-CB 3.97Å; Y42-P90 WeakPolarHBondContact CE1-O 3.49Å; Y42-R93 HydrophobicContact CE1-CB 4.45Å; Y42-I94 HydrophobicContact CD1-CD1 4.2Å; Y42-I94 HydrophobicContact CD1-CG1 4.05Å; Y42-I94 HydrophobicContact CD2-CD1 4.07Å; Y42-I94 HydrophobicContact CE1-CD1 4.04Å; Y42-I94 HydrophobicContact CE1-CG1 4.25Å; Y42-I94 HydrophobicContact CE2-CD1 3.89Å; Y42-I94 HydrophobicContact CG-CD1 4.19Å; Y42-I94 HydrophobicContact CG-CG1 4.17Å
43A90.1Very high89.4Confident15 Ų1541.1 Ų41.112%0.12422%0.216CC..Hα-helixtrans-65.3-34.4179.400000113.2K40 L41 Y45 S47 F195 L196 Q199K40-A43 WeakPolarHBondContact O-CB 3.5Å; K40-A43 PolarHBondContact O-N 3.1Å; L41-A43 PolarHBondContact O-N 3.47Å; A43-Y45 VanDerWaalsContact C-N 3.31Å; A43-Y45 PolarHBondContact O-N 3.18Å; A43-S47 WeakPolarHBondContact O-CB 3.23Å; A43-S47 PolarHBondContact O-N 3.4Å; A43-S47 PolarHBondContact O-OG 3.3Å; A43-F195 HydrophobicContact CB-CE1 4.38Å; A43-L196 VanDerWaalsContact CA-CD1 3.41Å; A43-L196 HydrophobicContact CB-CD1 3.86Å; A43-Q199 HydrophobicContact CB-CB 4.07Å; A43-Q199 HydrophobicContact CB-CG 4.17Å
44D88.6Confident89.2Confident76 Ų7642.1 Ų42.141%0.40623%0.225SC..Hα-helixtrans-69-32.7177.7-166.666.3000111.9R8 L41 Y42 S47 R48R8-D44 WeakPolarHBondContact CD-OD2 3.49Å; R8-D44 WeakPolarHBondContact CG-OD2 3.19Å; R8-D44 IonicContact NE-OD2 3.96Å; R8-D44 PolarHBondContact NE-OD2 3.06Å; L41-D44 PolarHBondContact O-N 3.49Å; Y42-D44 PolarHBondContact O-N 3.21Å; D44-S47 PolarHBondContact O-OG 3.38Å; D44-S47 VanDerWaalsContact O-OG 3.13Å; D44-R48 PolarHBondContact O-NH1 3.26Å; D44-R48 IonicContact OD1-CZ 2.64Å; D44-R48 IonicContact OD1-NH1 2.79Å; D44-R48 PolarHBondContact OD1-NH1 3.49Å; D44-R48 IonicContact OD1-NH2 2.66Å; D44-R48 PolarHBondContact OD1-NH2 3.11Å; D44-R48 IonicContact OD2-NH1 3.98Å; D44-R48 PolarHBondContact OD2-NH1 3.47Å
45Y92.1Very high89.2Confident2 Ų239.9 Ų39.91%0.00822%0.215CC..Hα-helixtrans-73-53.6172.7-175.9-101.5000111.7R8 L9 I12 Y42 A43 S47 R48 Y49 L87 P90 I91R8-Y45 HydrophobicContact CB-CD2 3.95Å; L9-Y45 HydrophobicContact CD1-CE2 4.45Å; L9-Y45 HydrophobicContact CD2-CD2 3.78Å; L9-Y45 HydrophobicContact CD2-CE1 4.17Å; L9-Y45 HydrophobicContact CD2-CE2 3.38Å; L9-Y45 HydrophobicContact CD2-CG 4.34Å; L9-Y45 HydrophobicContact CG-CD2 4.23Å; L9-Y45 HydrophobicContact CG-CE2 3.75Å; I12-Y45 HydrophobicContact CD1-CD1 4.39Å; I12-Y45 HydrophobicContact CD1-CG 3.93Å; Y42-Y45 PolarHBondContact O-N 3.36Å; A43-Y45 VanDerWaalsContact C-N 3.31Å; A43-Y45 PolarHBondContact O-N 3.18Å; Y45-S47 VanDerWaalsContact C-N 3.32Å; Y45-S47 PolarHBondContact O-N 2.61Å; Y45-R48 PolarHBondContact O-N 3.08Å; Y45-R48 VanDerWaalsContact O-N 3.11Å; Y45-Y49 HydrophobicContact CE1-CD2 4.35Å; Y45-Y49 PolarHBondContact O-N 3.44Å; Y45-Y49 VanDerWaalsContact O-N 3.1Å; Y45-L87 WeakPolarHBondContact CE1-O 3.23Å; Y45-L87 WeakPolarHBondContact OH-CD2 3.44Å; Y45-L87 PolarHBondContact OH-O 3.25Å; Y45-P90 HydrophobicContact CD1-CB 4.24Å; Y45-P90 HydrophobicContact CE1-CB 4.14Å; Y45-P90 HydrophobicContact CE1-CG 4.12Å; Y45-I91 HydrophobicContact CD1-CD1 4.09Å; Y45-I91 HydrophobicContact CD1-CG1 3.82Å; Y45-I91 HydrophobicContact CE1-CD1 4.01Å; Y45-I91 HydrophobicContact CE1-CG1 3.95Å
46A90.8Very high89Confident6 Ų640.2 Ų40.25%0.0522%0.217CC..Hα-helixtrans-61.2-39.5-175.200000112.7Y42 R48 Y49 I91 L196 I200Y42-A46 WeakPolarHBondContact O-CB 3.26Å; Y42-A46 PolarHBondContact O-N 3.04Å; A46-R48 PolarHBondContact O-N 3.02Å; A46-R48 VanDerWaalsContact O-N 3.09Å; A46-Y49 PolarHBondContact O-N 3.07Å; A46-I91 HydrophobicContact CB-CD1 4.02Å; A46-I91 HydrophobicContact CB-CG1 3.97Å; A46-I91 HydrophobicContact CB-CG2 4.26Å; A46-L196 HydrophobicContact CB-CD1 3.83Å; A46-I200 HydrophobicContact CB-CD1 3.76Å; A46-I200 HydrophobicContact CB-CG1 3.72Å
47S86.3Confident89Confident29 Ų2945.5 Ų45.520%0.20324%0.241CC..THydrogen-bonded Turntrans-61.9-15.1177.859.40000115.2A43 D44 Y45 S203A43-S47 WeakPolarHBondContact O-CB 3.23Å; A43-S47 PolarHBondContact O-N 3.4Å; A43-S47 PolarHBondContact O-OG 3.3Å; D44-S47 PolarHBondContact O-OG 3.38Å; D44-S47 VanDerWaalsContact O-OG 3.13Å; Y45-S47 VanDerWaalsContact C-N 3.32Å; Y45-S47 PolarHBondContact O-N 2.61Å; S47-S203 PolarHBondContact O-OG 3.29Å
48R86.8Confident89.1Confident50 Ų5045.9 Ų45.919%0.18924%0.243CC..THydrogen-bonded Turntrans-120.3-5179.3-68.9-174.8-168.578.6-7114.8D44 Y45 A46 Q50 T51 N52D44-R48 PolarHBondContact O-NH1 3.26Å; D44-R48 IonicContact OD1-CZ 2.64Å; D44-R48 IonicContact OD1-NH1 2.79Å; D44-R48 PolarHBondContact OD1-NH1 3.49Å; D44-R48 IonicContact OD1-NH2 2.66Å; D44-R48 PolarHBondContact OD1-NH2 3.11Å; D44-R48 IonicContact OD2-NH1 3.98Å; D44-R48 PolarHBondContact OD2-NH1 3.47Å; Y45-R48 PolarHBondContact O-N 3.08Å; Y45-R48 VanDerWaalsContact O-N 3.11Å; A46-R48 PolarHBondContact O-N 3.02Å; A46-R48 VanDerWaalsContact O-N 3.09Å; R48-Q50 VanDerWaalsContact C-N 3.3Å; R48-Q50 PolarHBondContact O-N 2.99Å; R48-T51 WeakPolarHBondContact O-CA 3.46Å; R48-T51 WeakPolarHBondContact O-CB 3.26Å; R48-T51 PolarHBondContact O-N 3.39Å; R48-N52 PolarHBondContact O-N 3.42Å
49Y89.6Confident88.9Confident26 Ų2644 Ų4410%0.10223%0.229CC..Hα-helixtrans-50.9-47.9-176.9166.8-90.9000112.6Y45 A46 T51 N52 V53 L87 I88 I91 L408Y45-Y49 HydrophobicContact CE1-CD2 4.35Å; Y45-Y49 PolarHBondContact O-N 3.44Å; Y45-Y49 VanDerWaalsContact O-N 3.1Å; A46-Y49 PolarHBondContact O-N 3.07Å; Y49-T51 VanDerWaalsContact C-N 3.33Å; Y49-T51 PolarHBondContact O-N 3.49Å; Y49-N52 WeakPolarHBondContact O-CB 3.4Å; Y49-N52 PolarHBondContact O-N 2.86Å; Y49-N52 VanDerWaalsContact O-N 3.1Å; Y49-V53 HydrophobicContact CD1-CG2 4.4Å; Y49-V53 HydrophobicContact CD2-CG2 4.33Å; Y49-V53 HydrophobicContact CE1-CG2 3.87Å; Y49-V53 HydrophobicContact CE2-CG2 3.78Å; Y49-V53 WeakPolarHBondContact O-CG2 3.44Å; Y49-V53 PolarHBondContact O-N 3.34Å; Y49-L87 HydrophobicContact CE2-CB 4.02Å; Y49-I88 HydrophobicContact CD1-CD1 4.33Å; Y49-I88 HydrophobicContact CE1-CD1 3.87Å; Y49-I88 HydrophobicContact CE2-CB 3.98Å; Y49-I88 HydrophobicContact CE2-CD1 4.11Å; Y49-I91 VanDerWaalsContact CB-CD1 3.48Å; Y49-I91 HydrophobicContact CD1-CD1 4.22Å; Y49-I91 HydrophobicContact CD2-CD1 3.82Å; Y49-I91 HydrophobicContact CG-CD1 3.55Å; Y49-L408 HydrophobicContact CD1-CD1 3.63Å; Y49-L408 HydrophobicContact CE1-CD1 4Å; Y49-L408 HydrophobicContact CG-CD1 4.4Å
50Q85.1Confident88.7Confident119 Ų11946 Ų4656%0.55624%0.24SC*.Hα-helixtrans-63-38.8179.6-1666319.800112.5R48 V53 V54R48-Q50 VanDerWaalsContact C-N 3.3Å; R48-Q50 PolarHBondContact O-N 2.99Å; Q50-V53 PolarHBondContact O-N 3.28Å; Q50-V54 WeakPolarHBondContact O-CG2 3.46Å; Q50-V54 PolarHBondContact O-N 3.4Å; Q50-V54 VanDerWaalsContact O-N 3.14Å
51T85.9Confident88.7Confident84 Ų8447.3 Ų47.352%0.51526%0.262SS..Hα-helixtrans-65.2-39.9174.2-53.10000111.3R48 Y49 F55R48-T51 WeakPolarHBondContact O-CA 3.46Å; R48-T51 WeakPolarHBondContact O-CB 3.26Å; R48-T51 PolarHBondContact O-N 3.39Å; Y49-T51 VanDerWaalsContact C-N 3.33Å; Y49-T51 PolarHBondContact O-N 3.49Å; T51-F55 WeakPolarHBondContact O-CB 3.47Å; T51-F55 PolarHBondContact O-N 2.88Å
52N87.6Confident88.7Confident5 Ų551 Ų513%0.02727%0.274CS..Hα-helixtrans-67.3-37.9178.2-7810.2000112.5E4 I5 R48 Y49 F55 M56E4-N52 PolarHBondContact O-ND2 2.91Å; I5-N52 PolarHBondContact O-ND2 3.39Å; R48-N52 PolarHBondContact O-N 3.42Å; Y49-N52 WeakPolarHBondContact O-CB 3.4Å; Y49-N52 PolarHBondContact O-N 2.86Å; Y49-N52 VanDerWaalsContact O-N 3.1Å; N52-F55 PolarHBondContact O-N 3.34Å; N52-M56 VanDerWaalsContact O-CB 3.3Å; N52-M56 WeakPolarHBondContact O-CB 3.5Å; N52-M56 PolarHBondContact O-N 2.6Å
53V88.1Confident88.6Confident13 Ų1354.3 Ų54.38%0.07929%0.292CS..Hα-helixtrans-63.8-51.7174.3172.90000110.7Y49 Q50 F55 M56 E57Y49-V53 HydrophobicContact CD1-CG2 4.4Å; Y49-V53 HydrophobicContact CD2-CG2 4.33Å; Y49-V53 HydrophobicContact CE1-CG2 3.87Å; Y49-V53 HydrophobicContact CE2-CG2 3.78Å; Y49-V53 WeakPolarHBondContact O-CG2 3.44Å; Y49-V53 PolarHBondContact O-N 3.34Å; Q50-V53 PolarHBondContact O-N 3.28Å; V53-F55 VanDerWaalsContact C-N 3.28Å; V53-F55 PolarHBondContact O-N 3.05Å; V53-M56 WeakPolarHBondContact O-CB 3.17Å; V53-M56 PolarHBondContact O-N 2.89Å; V53-M56 VanDerWaalsContact O-N 3.09Å; V53-E57 WeakPolarHBondContact O-CG 3.33Å; V53-E57 PolarHBondContact O-N 2.91Å
54V87.7Confident88.4Confident72 Ų7258.6 Ų58.644%0.43632%0.318SS..Hα-helixtrans-61.3-37.9177.7174.60000111.6Q50 T58Q50-V54 WeakPolarHBondContact O-CG2 3.46Å; Q50-V54 PolarHBondContact O-N 3.4Å; Q50-V54 VanDerWaalsContact O-N 3.14Å; V54-T58 WeakPolarHBondContact O-CB 3.06Å; V54-T58 PolarHBondContact O-N 2.99Å; V54-T58 PolarHBondContact O-OG1 3.24Å
55F89.2Confident88.6Confident76 Ų7657.1 Ų57.133%0.33332%0.32SS..Hα-helixtrans-65.8-39.8174.8178.8-106.2000112.2M1 E4 I5 T51 N52 V53 T58 C59M1-F55 HydrophobicContact CB-CE1 4.5Å; M1-F55 HydrophobicContact CG-CE1 4.12Å; E4-F55 HydrophobicContact CB-CE1 4.41Å; I5-F55 HydrophobicContact CD1-CD1 4.26Å; I5-F55 HydrophobicContact CD1-CE1 4.39Å; I5-F55 HydrophobicContact CG1-CD1 4.01Å; I5-F55 HydrophobicContact CG1-CE1 4.27Å; T51-F55 WeakPolarHBondContact O-CB 3.47Å; T51-F55 PolarHBondContact O-N 2.88Å; N52-F55 PolarHBondContact O-N 3.34Å; V53-F55 VanDerWaalsContact C-N 3.28Å; V53-F55 PolarHBondContact O-N 3.05Å; F55-T58 WeakPolarHBondContact O-CB 3.4Å; F55-T58 PolarHBondContact O-N 3.44Å; F55-C59 PolarHBondContact O-N 3.22Å; F55-C59 PolarHBondContact O-SG 3.15Å
56M88.9Confident88.5Confident12 Ų1258.4 Ų58.46%0.05933%0.327CS..Hα-helixtrans-65-46175-177.6-177.971.900111.7I5 N52 V53 T58 C59 N60 L83 L87I5-M56 HydrophobicContact CD1-CB 4.21Å; I5-M56 HydrophobicContact CD1-CG 4.44Å; N52-M56 VanDerWaalsContact O-CB 3.3Å; N52-M56 WeakPolarHBondContact O-CB 3.5Å; N52-M56 PolarHBondContact O-N 2.6Å; V53-M56 WeakPolarHBondContact O-CB 3.17Å; V53-M56 PolarHBondContact O-N 2.89Å; V53-M56 VanDerWaalsContact O-N 3.09Å; M56-T58 VanDerWaalsContact C-N 3.3Å; M56-T58 PolarHBondContact O-N 2.86Å; M56-C59 PolarHBondContact O-N 2.96Å; M56-N60 VanDerWaalsContact O-CG 3.29Å; M56-N60 PolarHBondContact O-N 2.9Å; M56-N60 PolarHBondContact O-OD1 3.02Å; M56-L83 HydrophobicContact SD-CD2 3.66Å; M56-L83 HydrophobicContact SD-CG 3.91Å; M56-L87 HydrophobicContact CE-CD1 4.44Å; M56-L87 HydrophobicContact SD-CD1 3.93Å
57E87.7Confident88.4Confident111 Ų11160.5 Ų60.552%0.51934%0.339SS..Hα-helixtrans-58.2-42.8173.8-70.2170.6171.700111.5V53 N60 A61V53-E57 WeakPolarHBondContact O-CG 3.33Å; V53-E57 PolarHBondContact O-N 2.91Å; E57-N60 PolarHBondContact O-N 3.47Å; E57-A61 PolarHBondContact O-N 3.32Å
58T89.7Confident88.7Confident64 Ų6466.1 Ų66.139%0.39336%0.363SS..Hα-helixtrans-61.4-46.8174.4-57.40000111.2V54 F55 M56 N60 A61 F62V54-T58 WeakPolarHBondContact O-CB 3.06Å; V54-T58 PolarHBondContact O-N 2.99Å; V54-T58 PolarHBondContact O-OG1 3.24Å; F55-T58 WeakPolarHBondContact O-CB 3.4Å; F55-T58 PolarHBondContact O-N 3.44Å; M56-T58 VanDerWaalsContact C-N 3.3Å; M56-T58 PolarHBondContact O-N 2.86Å; T58-N60 VanDerWaalsContact C-N 3.34Å; T58-N60 PolarHBondContact O-N 3.49Å; T58-A61 PolarHBondContact O-N 3.12Å; T58-F62 HydrophobicContact CG2-CD2 3.81Å; T58-F62 HydrophobicContact CG2-CE2 3.81Å; T58-F62 VanDerWaalsContact O-CD2 3.23Å; T58-F62 WeakPolarHBondContact O-CD2 3.43Å; T58-F62 PolarHBondContact O-N 3.19Å
59C88.9Confident89Confident13 Ų1369.3 Ų69.39%0.08838%0.378CS..Hα-helixtrans-62.3-39.1176.3-72.60000112.5M1 F55 M56 A61 F62 I63 L66M1-C59 HydrophobicContact CE-CB 4.05Å; F55-C59 PolarHBondContact O-N 3.22Å; F55-C59 PolarHBondContact O-SG 3.15Å; M56-C59 PolarHBondContact O-N 2.96Å; C59-A61 VanDerWaalsContact C-N 3.33Å; C59-A61 PolarHBondContact O-N 2.93Å; C59-F62 PolarHBondContact O-N 3.32Å; C59-I63 HydrophobicContact CB-CD1 4.47Å; C59-I63 VanDerWaalsContact O-CB 3.3Å; C59-I63 WeakPolarHBondContact O-CB 3.5Å; C59-I63 PolarHBondContact O-N 2.83Å; C59-L66 HydrophobicContact CB-CD2 3.74Å
60N88Confident89.1Confident43 Ų4368.9 Ų68.923%0.2338%0.377CS..Hα-helixtrans-62.8-38.4175.7-73-6.4000111.9M56 E57 T58 L66 V67 I70M56-N60 VanDerWaalsContact O-CG 3.29Å; M56-N60 PolarHBondContact O-N 2.9Å; M56-N60 PolarHBondContact O-OD1 3.02Å; E57-N60 PolarHBondContact O-N 3.47Å; T58-N60 VanDerWaalsContact C-N 3.34Å; T58-N60 PolarHBondContact O-N 3.49Å; N60-L66 WeakPolarHBondContact OD1-CD2 3.34Å; N60-V67 HydrophobicContact CB-CG2 3.69Å; N60-V67 VanDerWaalsContact O-CG2 3.28Å; N60-V67 WeakPolarHBondContact O-CG2 3.31Å; N60-I70 WeakPolarHBondContact OD1-CD1 3.27Å
61A88.5Confident89.4Confident84 Ų8467.7 Ų67.769%0.69438%0.375SS*.Hα-helixtrans-68.6-33.6177.200000113.6E57 T58 C59E57-A61 PolarHBondContact O-N 3.32Å; T58-A61 PolarHBondContact O-N 3.12Å; C59-A61 VanDerWaalsContact C-N 3.33Å; C59-A61 PolarHBondContact O-N 2.93Å
62F89.6Confident89.8Confident168 Ų16872 Ų7274%0.73738%0.382SS*.Hα-helixtrans-96.2-16.9-177.3-72.6-66.9000115T58 C59T58-F62 HydrophobicContact CG2-CD2 3.81Å; T58-F62 HydrophobicContact CG2-CE2 3.81Å; T58-F62 VanDerWaalsContact O-CD2 3.23Å; T58-F62 WeakPolarHBondContact O-CD2 3.43Å; T58-F62 PolarHBondContact O-N 3.19Å; C59-F62 PolarHBondContact O-N 3.32Å
63I91Very high90.1Very high73 Ų7375.1 Ų75.137%0.37440%0.396SS..  trans-127.986.5-172.2-51.7171.8000109.2M1 C59 G65 L66M1-I63 HydrophobicContact CE-CD1 3.43Å; M1-I63 VanDerWaalsContact CE-CD1 3.43Å; C59-I63 HydrophobicContact CB-CD1 4.47Å; C59-I63 VanDerWaalsContact O-CB 3.3Å; C59-I63 WeakPolarHBondContact O-CB 3.5Å; C59-I63 PolarHBondContact O-N 2.83Å; I63-G65 VanDerWaalsContact C-N 3.29Å; I63-G65 PolarHBondContact O-N 3.38Å; I63-L66 HydrophobicContact CB-CB 4.03Å; I63-L66 HydrophobicContact CG2-CB 3.83Å; I63-L66 VanDerWaalsContact O-CB 3.28Å; I63-L66 WeakPolarHBondContact O-CB 3.43Å; I63-L66 PolarHBondContact O-N 2.77Å
64P87.2Confident90.3Very high105 Ų10577 Ų7768%0.68240%0.404SS*.Hα-helixtrans-60.9-35-174.821.5-32.5000113.5L66 V67 E68P64-L66 PolarHBondContact O-N 3.37Å; P64-V67 WeakPolarHBondContact O-CB 3.3Å; P64-V67 PolarHBondContact O-N 3.42Å; P64-V67 VanDerWaalsContact O-N 3.1Å; P64-E68 PolarHBondContact O-N 3.37Å; P64-E68 VanDerWaalsContact O-N 3.1Å
65G91.4Very high90.5Very high44 Ų4477.9 Ų77.945%0.45441%0.413SS..Hα-helixtrans-66-19.3175.100000114.4I63 F69I63-G65 VanDerWaalsContact C-N 3.29Å; I63-G65 PolarHBondContact O-N 3.38Å; G65-F69 WeakPolarHBondContact O-CB 3.4Å; G65-F69 PolarHBondContact O-N 3.37Å; G65-F69 VanDerWaalsContact O-N 3.08Å
66L90Very high90.7Very high30 Ų3077.7 Ų77.716%0.15742%0.415CS..Hα-helixtrans-73.1-40.6170.9178.266.5000110.6M1 C59 N60 I63 P64 F69 I70M1-L66 HydrophobicContact CE-CD2 3.87Å; M1-L66 HydrophobicContact SD-CD1 4.11Å; M1-L66 HydrophobicContact SD-CD2 3.77Å; C59-L66 HydrophobicContact CB-CD2 3.74Å; N60-L66 WeakPolarHBondContact OD1-CD2 3.34Å; I63-L66 HydrophobicContact CB-CB 4.03Å; I63-L66 HydrophobicContact CG2-CB 3.83Å; I63-L66 VanDerWaalsContact O-CB 3.28Å; I63-L66 WeakPolarHBondContact O-CB 3.43Å; I63-L66 PolarHBondContact O-N 2.77Å; P64-L66 PolarHBondContact O-N 3.37Å; L66-F69 PolarHBondContact O-N 3.41Å; L66-I70 HydrophobicContact CD1-CD1 4.17Å; L66-I70 HydrophobicContact CD1-CG1 4.37Å; L66-I70 HydrophobicContact CD2-CD1 4.49Å; L66-I70 HydrophobicContact CG-CD1 3.88Å; L66-I70 HydrophobicContact CG-CG1 4.47Å; L66-I70 WeakPolarHBondContact O-CB 3.26Å; L66-I70 VanDerWaalsContact O-CG1 3.3Å; L66-I70 WeakPolarHBondContact O-CG1 3.5Å; L66-I70 PolarHBondContact O-N 2.96Å
67V90.4Very high90.7Very high50 Ų5082.3 Ų82.330%0.30345%0.446SS..Hα-helixtrans-64.7-42.8176.6-179.20000110.6N60 P64 F69 I70 N71N60-V67 HydrophobicContact CB-CG2 3.69Å; N60-V67 VanDerWaalsContact O-CG2 3.28Å; N60-V67 WeakPolarHBondContact O-CG2 3.31Å; P64-V67 WeakPolarHBondContact O-CB 3.3Å; P64-V67 PolarHBondContact O-N 3.42Å; P64-V67 VanDerWaalsContact O-N 3.1Å; V67-F69 PolarHBondContact O-N 3.41Å; V67-I70 PolarHBondContact O-N 2.85Å; V67-N71 WeakPolarHBondContact O-CB 3.26Å; V67-N71 PolarHBondContact O-N 3.45Å; V67-N71 PolarHBondContact O-ND2 3.01Å
68E92Very high90.8Very high147 Ų14784 Ų8469%0.68746%0.458SS*.Hα-helixtrans-59.9-44.8173.1-172.2-175.9171.500111.8P64 R72P64-E68 PolarHBondContact O-N 3.37Å; P64-E68 VanDerWaalsContact O-N 3.1Å; E68-R72 WeakPolarHBondContact O-CB 3.3Å; E68-R72 PolarHBondContact O-N 3.36Å
69F93.4Very high90.7Very high116 Ų11683 Ų8351%0.50945%0.453SS..Hα-helixtrans-61.4-46.4175.6176.3-95.2000112.2G65 L66 V67 R72 Q73G65-F69 WeakPolarHBondContact O-CB 3.4Å; G65-F69 PolarHBondContact O-N 3.37Å; G65-F69 VanDerWaalsContact O-N 3.08Å; L66-F69 PolarHBondContact O-N 3.41Å; V67-F69 PolarHBondContact O-N 3.41Å; F69-R72 PolarHBondContact O-N 3.36Å; F69-Q73 HydrophobicContact CD1-CG 4.28Å; F69-Q73 HydrophobicContact CE1-CG 3.81Å; F69-Q73 HydrophobicContact CE2-CG 4.18Å; F69-Q73 HydrophobicContact CZ-CG 3.76Å; F69-Q73 WeakPolarHBondContact O-CG 3.5Å; F69-Q73 PolarHBondContact O-N 3.15Å
70I91.6Very high90.5Very high18 Ų1889.3 Ų89.39%0.09249%0.485CS..Hα-helixtrans-60.8-52.2177.8-71.1167.3000110N60 L66 V67 R72 Q73 E74 L83N60-I70 WeakPolarHBondContact OD1-CD1 3.27Å; L66-I70 HydrophobicContact CD1-CD1 4.17Å; L66-I70 HydrophobicContact CD1-CG1 4.37Å; L66-I70 HydrophobicContact CD2-CD1 4.49Å; L66-I70 HydrophobicContact CG-CD1 3.88Å; L66-I70 HydrophobicContact CG-CG1 4.47Å; L66-I70 WeakPolarHBondContact O-CB 3.26Å; L66-I70 VanDerWaalsContact O-CG1 3.3Å; L66-I70 WeakPolarHBondContact O-CG1 3.5Å; L66-I70 PolarHBondContact O-N 2.96Å; V67-I70 PolarHBondContact O-N 2.85Å; I70-R72 PolarHBondContact O-N 3Å; I70-Q73 PolarHBondContact O-N 3.36Å; I70-E74 HydrophobicContact CG2-CG 4.06Å; I70-E74 WeakPolarHBondContact CG2-OE1 3.3Å; I70-E74 WeakPolarHBondContact O-CB 3.29Å; I70-E74 WeakPolarHBondContact O-CG 3.32Å; I70-E74 PolarHBondContact O-N 3.04Å; I70-L83 HydrophobicContact CD1-CD2 4.15Å; I70-L83 HydrophobicContact CG1-CD2 4.24Å
71N90.9Very high90.6Very high94 Ų9491.3 Ų91.350%0.50350%0.496SS..Hα-helixtrans-55.8-39.2178.2-69.3-14.5000111.8V67 S75V67-N71 WeakPolarHBondContact O-CB 3.26Å; V67-N71 PolarHBondContact O-N 3.45Å; V67-N71 PolarHBondContact O-ND2 3.01Å; N71-S75 WeakPolarHBondContact O-CB 3.45Å; N71-S75 PolarHBondContact O-N 2.98Å; N71-S75 PolarHBondContact O-OG 2.83Å
72R93.8Very high90.7Very high175 Ų17593.1 Ų93.166%0.6649%0.49SS*.Hα-helixtrans-65.3-43175.2176.4177.4159-167.8-6.4112.2E68 F69 I70 S75E68-R72 WeakPolarHBondContact O-CB 3.3Å; E68-R72 PolarHBondContact O-N 3.36Å; F69-R72 PolarHBondContact O-N 3.36Å; I70-R72 PolarHBondContact O-N 3Å; R72-S75 PolarHBondContact O-N 3.3Å; R72-S75 PolarHBondContact O-OG 3.39Å
73Q93.6Very high90.7Very high69 Ų6986.9 Ų86.932%0.32246%0.464SS..Hα-helixtrans-68.7-40.7176.4-62-55.7-37.400112F69 I70 S75 L76F69-Q73 HydrophobicContact CD1-CG 4.28Å; F69-Q73 HydrophobicContact CE1-CG 3.81Å; F69-Q73 HydrophobicContact CE2-CG 4.18Å; F69-Q73 HydrophobicContact CZ-CG 3.76Å; F69-Q73 WeakPolarHBondContact O-CG 3.5Å; F69-Q73 PolarHBondContact O-N 3.15Å; I70-Q73 PolarHBondContact O-N 3.36Å; Q73-S75 PolarHBondContact O-N 2.8Å; Q73-L76 WeakPolarHBondContact O-CB 3.3Å; Q73-L76 WeakPolarHBondContact O-CG 3.22Å; Q73-L76 PolarHBondContact O-N 2.72Å
74E93.2Very high90.6Very high53 Ų5385.4 Ų85.425%0.24846%0.46CS..Hα-helixtrans-68-15.4176-67.9-177175.600113.2I70 Q82 L83I70-E74 HydrophobicContact CG2-CG 4.06Å; I70-E74 WeakPolarHBondContact CG2-OE1 3.3Å; I70-E74 WeakPolarHBondContact O-CB 3.29Å; I70-E74 WeakPolarHBondContact O-CG 3.32Å; I70-E74 PolarHBondContact O-N 3.04Å; E74-Q82 VanDerWaalsContact OE1-CA 3.31Å; E74-Q82 WeakPolarHBondContact OE1-CA 3.44Å; E74-L83 PolarHBondContact OE1-N 3.32Å
75S91.3Very high90.7Very high90 Ų9082.1 Ų82.163%0.62944%0.442SS*.THydrogen-bonded Turntrans-86.5-2.9174.1740000114.7N71 R72 Q73N71-S75 WeakPolarHBondContact O-CB 3.45Å; N71-S75 PolarHBondContact O-N 2.98Å; N71-S75 PolarHBondContact O-OG 2.83Å; R72-S75 PolarHBondContact O-N 3.3Å; R72-S75 PolarHBondContact O-OG 3.39Å; Q73-S75 PolarHBondContact O-N 2.8Å
76L93.8Very high90.7Very high72 Ų7283.4 Ų83.438%0.37744%0.438SS..SBendtrans-75.4142.7178.2-65.6175.4000111.4Q73 D78 V79Q73-L76 WeakPolarHBondContact O-CB 3.3Å; Q73-L76 WeakPolarHBondContact O-CG 3.22Å; Q73-L76 PolarHBondContact O-N 2.72Å; L76-D78 PolarHBondContact O-N 3.48Å; L76-D78 VanDerWaalsContact O-N 3.16Å; L76-V79 HydrophobicContact CB-CG2 4.17Å; L76-V79 PolarHBondContact O-N 3.41Å
77P89.6Confident90.8Very high109 Ų10982.4 Ų82.471%0.70843%0.433SS*.THydrogen-bonded Turntrans-64.8-22.2-176.427.5-36.2000114V79P77-V79 VanDerWaalsContact C-N 3.29Å
78D89Confident90.9Very high146 Ų14681.1 Ų81.178%0.78142%0.424SS*.THydrogen-bonded Turntrans-78.6-14176.5-54.9-50.2000112.6L76L76-D78 PolarHBondContact O-N 3.48Å; L76-D78 VanDerWaalsContact O-N 3.16Å
79V88.1Confident91Very high45 Ų4578.1 Ų78.127%0.27341%0.411SS..  trans-10989.5-172.5-175.90000110.1L76 P77 L81 L86L76-V79 HydrophobicContact CB-CG2 4.17Å; L76-V79 PolarHBondContact O-N 3.41Å; P77-V79 VanDerWaalsContact C-N 3.29Å; V79-L81 VanDerWaalsContact C-N 3.34Å; V79-L81 WeakPolarHBondContact CG1-O 3.3Å; V79-L81 PolarHBondContact O-N 3.21Å; V79-L86 HydrophobicContact CG1-CD1 4.35Å
80N84.3Confident91Very high145 Ų14573.7 Ų73.778%0.77539%0.394SS*.  trans-851.2-176.6-68.3-63.9000115
81L89.4Confident91Very high85 Ų8572.9 Ų72.945%0.44539%0.39SS..SBendtrans-142.7146.2-173.2-69.3175.9000111.1V79 A85 L86 M89V79-L81 VanDerWaalsContact C-N 3.34Å; V79-L81 WeakPolarHBondContact CG1-O 3.3Å; V79-L81 PolarHBondContact O-N 3.21Å; L81-A85 HydrophobicContact CB-CB 4.23Å; L81-A85 HydrophobicContact CD2-CB 4.45Å; L81-L86 HydrophobicContact CB-CD2 3.9Å; L81-L86 HydrophobicContact CB-CG 4.02Å; L81-L86 HydrophobicContact CD1-CD2 4.15Å; L81-M89 HydrophobicContact CD1-SD 4.18Å
82Q90.9Very high91Very high122 Ų12271.3 Ų71.357%0.5738%0.379SS*.  trans-61.4153.1171.4-67.2-177.8-30.400111.7E74 S84 A85 L86E74-Q82 VanDerWaalsContact OE1-CA 3.31Å; E74-Q82 WeakPolarHBondContact OE1-CA 3.44Å; Q82-S84 VanDerWaalsContact C-N 3.27Å; Q82-S84 PolarHBondContact O-N 2.98Å; Q82-A85 CarbonylContact O-C 3.52Å; Q82-A85 WeakPolarHBondContact O-CA 3.49Å; Q82-A85 WeakPolarHBondContact O-CB 3.21Å; Q82-A85 PolarHBondContact O-N 3.04Å; Q82-L86 PolarHBondContact O-N 2.77Å
83L90.9Very high91Very high37 Ų3768.1 Ų68.119%0.19437%0.367CS..Hα-helixtrans-56.1-39-178.1-18058.2000112.7F6 M56 I70 E74 L86 L87F6-L83 HydrophobicContact CE1-CD1 4.01Å; F6-L83 HydrophobicContact CZ-CD1 4.08Å; F6-L83 HydrophobicContact CZ-CD2 4.33Å; M56-L83 HydrophobicContact SD-CD2 3.66Å; M56-L83 HydrophobicContact SD-CG 3.91Å; I70-L83 HydrophobicContact CD1-CD2 4.15Å; I70-L83 HydrophobicContact CG1-CD2 4.24Å; E74-L83 PolarHBondContact OE1-N 3.32Å; L83-L86 PolarHBondContact O-N 3.43Å; L83-L87 HydrophobicContact CD1-CD1 4.3Å; L83-L87 HydrophobicContact CD1-CG 4.27Å; L83-L87 HydrophobicContact CG-CD1 4.12Å; L83-L87 VanDerWaalsContact O-CG 3.25Å; L83-L87 WeakPolarHBondContact O-CG 3.36Å; L83-L87 PolarHBondContact O-N 3.09Å
84S87.1Confident91Very high42 Ų4264.9 Ų64.929%0.29435%0.352SS..Hα-helixtrans-60.6-42.8173.552.40000112.5Q82 L86 L87 I88Q82-S84 VanDerWaalsContact C-N 3.27Å; Q82-S84 PolarHBondContact O-N 2.98Å; S84-L86 VanDerWaalsContact C-N 3.35Å; S84-L87 PolarHBondContact O-N 2.92Å; S84-I88 PolarHBondContact O-N 2.62Å
85A89.9Confident90.9Very high36 Ų3662.7 Ų62.730%0.29834%0.342SS..Hα-helixtrans-71.5-26.8177.600000113L81 Q82 I88 M89L81-A85 HydrophobicContact CB-CB 4.23Å; L81-A85 HydrophobicContact CD2-CB 4.45Å; Q82-A85 CarbonylContact O-C 3.52Å; Q82-A85 WeakPolarHBondContact O-CA 3.49Å; Q82-A85 WeakPolarHBondContact O-CB 3.21Å; Q82-A85 PolarHBondContact O-N 3.04Å; A85-I88 VanDerWaalsContact O-CG2 3.25Å; A85-I88 WeakPolarHBondContact O-CG2 3.38Å; A85-M89 WeakPolarHBondContact O-CG 3.48Å
86L92.3Very high91.1Very high71 Ų7164.1 Ų64.137%0.37233%0.334SS..Hα-helixtrans-73.3-41.6170.4-67172.8000111.9V79 L81 Q82 L83 S84 I88 M89V79-L86 HydrophobicContact CG1-CD1 4.35Å; L81-L86 HydrophobicContact CB-CD2 3.9Å; L81-L86 HydrophobicContact CB-CG 4.02Å; L81-L86 HydrophobicContact CD1-CD2 4.15Å; Q82-L86 PolarHBondContact O-N 2.77Å; L83-L86 PolarHBondContact O-N 3.43Å; S84-L86 VanDerWaalsContact C-N 3.35Å; L86-I88 VanDerWaalsContact C-N 3.29Å; L86-I88 PolarHBondContact O-N 2.7Å; L86-M89 HydrophobicContact CD2-SD 3.85Å; L86-M89 WeakPolarHBondContact O-CB 3.32Å; L86-M89 WeakPolarHBondContact O-CG 3.44Å; L86-M89 PolarHBondContact O-N 3.36Å; L86-M89 VanDerWaalsContact O-N 3.14Å
87L92.2Very high91.2Very high9 Ų961.1 Ų61.15%0.04732%0.318CS..Hα-helixtrans-65.8-25.6-177.8-72.1168.5000113.5I5 F6 L9 Y45 Y49 M56 L83 S84 P90I5-L87 HydrophobicContact CG2-CD1 4.13Å; I5-L87 HydrophobicContact CG2-CD2 4.32Å; F6-L87 HydrophobicContact CD1-CD2 4.28Å; F6-L87 HydrophobicContact CE1-CD2 4.08Å; L9-L87 HydrophobicContact CD1-CD2 4.19Å; Y45-L87 WeakPolarHBondContact CE1-O 3.23Å; Y45-L87 WeakPolarHBondContact OH-CD2 3.44Å; Y45-L87 PolarHBondContact OH-O 3.25Å; Y49-L87 HydrophobicContact CE2-CB 4.02Å; M56-L87 HydrophobicContact CE-CD1 4.44Å; M56-L87 HydrophobicContact SD-CD1 3.93Å; L83-L87 HydrophobicContact CD1-CD1 4.3Å; L83-L87 HydrophobicContact CD1-CG 4.27Å; L83-L87 HydrophobicContact CG-CD1 4.12Å; L83-L87 VanDerWaalsContact O-CG 3.25Å; L83-L87 WeakPolarHBondContact O-CG 3.36Å; L83-L87 PolarHBondContact O-N 3.09Å; S84-L87 PolarHBondContact O-N 2.92Å; L87-P90 WeakPolarHBondContact O-CD 3.27Å
88I91.8Very high91.4Very high22 Ų2256.5 Ų56.511%0.11329%0.288CS..THydrogen-bonded Turntrans-76.9-20.6175.3-170.558.6000113.1Y49 S84 A85 L86 I91 Q92 L408Y49-I88 HydrophobicContact CD1-CD1 4.33Å; Y49-I88 HydrophobicContact CE1-CD1 3.87Å; Y49-I88 HydrophobicContact CE2-CB 3.98Å; Y49-I88 HydrophobicContact CE2-CD1 4.11Å; S84-I88 PolarHBondContact O-N 2.62Å; A85-I88 VanDerWaalsContact O-CG2 3.25Å; A85-I88 WeakPolarHBondContact O-CG2 3.38Å; L86-I88 VanDerWaalsContact C-N 3.29Å; L86-I88 PolarHBondContact O-N 2.7Å; I88-I91 HydrophobicContact CD1-CB 4.31Å; I88-I91 HydrophobicContact CD1-CD1 4.15Å; I88-I91 PolarHBondContact O-N 2.61Å; I88-I91 VanDerWaalsContact O-N 3.17Å; I88-Q92 HydrophobicContact CG1-CG 4.1Å; I88-Q92 PolarHBondContact O-N 3.41Å; I88-L408 HydrophobicContact CD1-CD1 3.62Å; I88-L408 HydrophobicContact CD1-CD2 3.76Å; I88-L408 HydrophobicContact CD1-CG 4.37Å
89M93.4Very high91.6Very high85 Ų8552.8 Ų52.842%0.41927%0.268SS..Hα-helixtrans-58.1-40.6-172.8-66.1-179.562.700115.3L81 A85 L86 I91 Q92 R93L81-M89 HydrophobicContact CD1-SD 4.18Å; A85-M89 WeakPolarHBondContact O-CG 3.48Å; L86-M89 HydrophobicContact CD2-SD 3.85Å; L86-M89 WeakPolarHBondContact O-CB 3.32Å; L86-M89 WeakPolarHBondContact O-CG 3.44Å; L86-M89 PolarHBondContact O-N 3.36Å; L86-M89 VanDerWaalsContact O-N 3.14Å; M89-I91 VanDerWaalsContact C-N 3.29Å; M89-I91 PolarHBondContact O-N 2.9Å; M89-Q92 PolarHBondContact O-N 3.18Å; M89-R93 PolarHBondContact O-N 3.14Å
90P93.5Very high92Very high23 Ų2355.1 Ų55.115%0.14928%0.277CS..Hα-helixtrans-59-40.8177.4-24.835.4000112.2L9 Y42 Y45 L87 R93L9-P90 HydrophobicContact CD2-CB 4.48Å; L9-P90 HydrophobicContact CD2-CG 3.77Å; Y42-P90 HydrophobicContact CD1-CB 4.26Å; Y42-P90 VanDerWaalsContact CD1-O 3.28Å; Y42-P90 WeakPolarHBondContact CD1-O 3.43Å; Y42-P90 HydrophobicContact CE1-CB 3.97Å; Y42-P90 WeakPolarHBondContact CE1-O 3.49Å; Y45-P90 HydrophobicContact CD1-CB 4.24Å; Y45-P90 HydrophobicContact CE1-CB 4.14Å; Y45-P90 HydrophobicContact CE1-CG 4.12Å; L87-P90 WeakPolarHBondContact O-CD 3.27Å; P90-R93 VanDerWaalsContact O-CB 3.25Å; P90-R93 WeakPolarHBondContact O-CB 3.46Å; P90-R93 PolarHBondContact O-N 2.89Å; P90-R93 VanDerWaalsContact O-N 3.14Å
91I91.1Very high92.6Very high1 Ų148.4 Ų48.41%0.00524%0.241CC..Hα-helixtrans-68.4-42.5-178.3-55.1171.1000109.4Y45 A46 Y49 I88 M89 R93 P95 I200 L408 F410Y45-I91 HydrophobicContact CD1-CD1 4.09Å; Y45-I91 HydrophobicContact CD1-CG1 3.82Å; Y45-I91 HydrophobicContact CE1-CD1 4.01Å; Y45-I91 HydrophobicContact CE1-CG1 3.95Å; A46-I91 HydrophobicContact CB-CD1 4.02Å; A46-I91 HydrophobicContact CB-CG1 3.97Å; A46-I91 HydrophobicContact CB-CG2 4.26Å; Y49-I91 VanDerWaalsContact CB-CD1 3.48Å; Y49-I91 HydrophobicContact CD1-CD1 4.22Å; Y49-I91 HydrophobicContact CD2-CD1 3.82Å; Y49-I91 HydrophobicContact CG-CD1 3.55Å; I88-I91 HydrophobicContact CD1-CB 4.31Å; I88-I91 HydrophobicContact CD1-CD1 4.15Å; I88-I91 PolarHBondContact O-N 2.61Å; I88-I91 VanDerWaalsContact O-N 3.17Å; M89-I91 VanDerWaalsContact C-N 3.29Å; M89-I91 PolarHBondContact O-N 2.9Å; I91-R93 PolarHBondContact O-N 3.28Å; I91-P95 WeakPolarHBondContact O-CD 3.35Å; I91-I200 HydrophobicContact CG2-CD1 4.49Å; I91-L408 HydrophobicContact CD1-CD1 4.07Å; I91-L408 HydrophobicContact CG2-CD1 4.42Å; I91-F410 HydrophobicContact CB-CZ 4.45Å; I91-F410 HydrophobicContact CG2-CE2 3.84Å; I91-F410 HydrophobicContact CG2-CZ 3.55Å; I91-F410 VanDerWaalsContact O-CZ 3.31Å; I91-F410 WeakPolarHBondContact O-CZ 3.43Å
92Q91.9Very high92.9Very high61 Ų6145.6 Ų45.629%0.28523%0.226SC..Hα-helixtrans-66.7-14.3174-64.1178.92.100114.4I88 M89 P95 R96 F410I88-Q92 HydrophobicContact CG1-CG 4.1Å; I88-Q92 PolarHBondContact O-N 3.41Å; M89-Q92 PolarHBondContact O-N 3.18Å; Q92-P95 WeakPolarHBondContact O-CD 3.23Å; Q92-R96 VanDerWaalsContact O-CG 3.27Å; Q92-R96 WeakPolarHBondContact O-CG 3.2Å; Q92-R96 PolarHBondContact O-N 2.93Å; Q92-F410 HydrophobicContact CG-CE1 4.36Å
93R94.6Very high93.2Very high108 Ų10846 Ų4641%0.40823%0.227SC..Hα-helixtrans-70.6-36.4-173.6-169.962.2171.9176.50.2112.7Y42 M89 P90 I91 R96 Y97Y42-R93 HydrophobicContact CE1-CB 4.45Å; M89-R93 PolarHBondContact O-N 3.14Å; P90-R93 VanDerWaalsContact O-CB 3.25Å; P90-R93 WeakPolarHBondContact O-CB 3.46Å; P90-R93 PolarHBondContact O-N 2.89Å; P90-R93 VanDerWaalsContact O-N 3.14Å; I91-R93 PolarHBondContact O-N 3.28Å; R93-R96 PolarHBondContact O-N 3.14Å; R93-Y97 HydrophobicContact CG-CD2 4.27Å; R93-Y97 HydrophobicContact CG-CE1 4.36Å; R93-Y97 HydrophobicContact CG-CE2 3.58Å; R93-Y97 PolarHBondContact NE-OH 2.96Å; R93-Y97 PolarHBondContact NH2-OH 3.45Å; R93-Y97 WeakPolarHBondContact O-CD2 3.25Å; R93-Y97 PolarHBondContact O-N 2.94Å
94I92.8Very high93.4Very high0 Ų047.2 Ų47.20%023%0.234CC..Hα-helixtrans-70.2-44.7-176.6-52-56.4000112.9L39 Y42 R96 Y97 S98 A193 L196L39-I94 HydrophobicContact CB-CD1 4.3Å; L39-I94 HydrophobicContact CD1-CD1 4.31Å; L39-I94 HydrophobicContact CD2-CD1 3.98Å; L39-I94 HydrophobicContact CG-CD1 4.42Å; Y42-I94 HydrophobicContact CD1-CD1 4.2Å; Y42-I94 HydrophobicContact CD1-CG1 4.05Å; Y42-I94 HydrophobicContact CD2-CD1 4.07Å; Y42-I94 HydrophobicContact CE1-CD1 4.04Å; Y42-I94 HydrophobicContact CE1-CG1 4.25Å; Y42-I94 HydrophobicContact CE2-CD1 3.89Å; Y42-I94 HydrophobicContact CG-CD1 4.19Å; Y42-I94 HydrophobicContact CG-CG1 4.17Å; I94-R96 PolarHBondContact O-N 3.38Å; I94-Y97 HydrophobicContact CD1-CD2 4.03Å; I94-Y97 HydrophobicContact CD1-CE2 4.2Å; I94-Y97 PolarHBondContact O-N 2.64Å; I94-S98 PolarHBondContact O-N 3.28Å; I94-S98 VanDerWaalsContact O-N 3.16Å; I94-S98 PolarHBondContact O-OG 3.38Å; I94-A193 HydrophobicContact CG2-CB 4.03Å; I94-L196 HydrophobicContact CB-CD2 4.37Å; I94-L196 HydrophobicContact CG1-CD2 4.14Å
95P92.2Very high93.9Very high8 Ų845.2 Ų45.25%0.05222%0.22CC..Hα-helixtrans-57.7-45.6169.8-23.330.6000112.7I91 Q92 Y97 S98 L99 F410I91-P95 WeakPolarHBondContact O-CD 3.35Å; Q92-P95 WeakPolarHBondContact O-CD 3.23Å; P95-Y97 VanDerWaalsContact C-N 3.29Å; P95-Y97 PolarHBondContact O-N 2.88Å; P95-S98 WeakPolarHBondContact O-CA 3.21Å; P95-S98 VanDerWaalsContact O-CB 3.23Å; P95-S98 WeakPolarHBondContact O-CB 3.29Å; P95-S98 PolarHBondContact O-N 3.44Å; P95-L99 PolarHBondContact O-N 2.89Å; P95-F410 HydrophobicContact CB-CD1 4.21Å; P95-F410 HydrophobicContact CB-CG 4.27Å; P95-F410 HydrophobicContact CG-CB 4.07Å; P95-F410 HydrophobicContact CG-CD1 3.46Å; P95-F410 VanDerWaalsContact CG-CD1 3.46Å; P95-F410 HydrophobicContact CG-CD2 3.54Å; P95-F410 HydrophobicContact CG-CE1 3.63Å; P95-F410 HydrophobicContact CG-CE2 3.71Å; P95-F410 HydrophobicContact CG-CG 3.4Å; P95-F410 VanDerWaalsContact CG-CG 3.4Å; P95-F410 HydrophobicContact CG-CZ 3.74Å
96R95.2Very high94.2Very high120 Ų12044.1 Ų44.145%0.45321%0.209SC..Hα-helixtrans-58.5-38.7177.5-67.6175.2-166.9-147.612.1112.3Q92 R93 I94 S98 L99 M100Q92-R96 VanDerWaalsContact O-CG 3.27Å; Q92-R96 WeakPolarHBondContact O-CG 3.2Å; Q92-R96 PolarHBondContact O-N 2.93Å; R93-R96 PolarHBondContact O-N 3.14Å; I94-R96 PolarHBondContact O-N 3.38Å; R96-S98 VanDerWaalsContact C-N 3.31Å; R96-L99 PolarHBondContact O-N 3.33Å; R96-M100 HydrophobicContact CB-CE 4.41Å; R96-M100 WeakPolarHBondContact O-CE 3.13Å; R96-M100 WeakPolarHBondContact O-CG 3.48Å; R96-M100 PolarHBondContact O-N 3.32Å; R96-M100 VanDerWaalsContact O-N 3.09Å
97Y95.3Very high94.4Very high9 Ų945 Ų454%0.03521%0.214CC..Hα-helixtrans-62-39.5171.7-68.2-41.2000112.2N16 L19 F32 R93 I94 P95 M100 L101N16-Y97 PolarHBondContact OD1-OH 3.33Å; N16-Y97 VanDerWaalsContact OD1-OH 3.06Å; L19-Y97 HydrophobicContact CD2-CE1 4.33Å; L19-Y97 HydrophobicContact CD2-CE2 4.18Å; L19-Y97 WeakPolarHBondContact CD2-OH 3.44Å; F32-Y97 AromaticContact CE1-CD1 3.83Å; F32-Y97 HydrophobicContact CE1-CD1 3.83Å; F32-Y97 HydrophobicContact CE1-CD2 4.07Å; F32-Y97 HydrophobicContact CE1-CE1 4.22Å; F32-Y97 HydrophobicContact CE1-CE2 4.45Å; F32-Y97 AromaticContact CE1-CG 3.76Å; F32-Y97 HydrophobicContact CE1-CG 3.76Å; F32-Y97 AromaticContact CZ-CD1 3.64Å; F32-Y97 HydrophobicContact CZ-CD1 3.64Å; F32-Y97 AromaticContact CZ-CE1 3.95Å; F32-Y97 HydrophobicContact CZ-CE1 3.95Å; F32-Y97 HydrophobicContact CZ-CG 4.05Å; R93-Y97 HydrophobicContact CG-CD2 4.27Å; R93-Y97 HydrophobicContact CG-CE1 4.36Å; R93-Y97 HydrophobicContact CG-CE2 3.58Å; R93-Y97 PolarHBondContact NE-OH 2.96Å; R93-Y97 PolarHBondContact NH2-OH 3.45Å; R93-Y97 WeakPolarHBondContact O-CD2 3.25Å; R93-Y97 PolarHBondContact O-N 2.94Å; I94-Y97 HydrophobicContact CD1-CD2 4.03Å; I94-Y97 HydrophobicContact CD1-CE2 4.2Å; I94-Y97 PolarHBondContact O-N 2.64Å; P95-Y97 VanDerWaalsContact C-N 3.29Å; P95-Y97 PolarHBondContact O-N 2.88Å; Y97-M100 HydrophobicContact CD1-CE 3.78Å; Y97-M100 HydrophobicContact CE1-CE 4.39Å; Y97-L101 VanDerWaalsContact O-CB 3.26Å; Y97-L101 WeakPolarHBondContact O-CB 3.48Å; Y97-L101 WeakPolarHBondContact O-CD1 3.26Å; Y97-L101 WeakPolarHBondContact O-CG 3.41Å; Y97-L101 PolarHBondContact O-N 3.01Å
98S93.6Very high94.5Very high12 Ų1245.9 Ų45.98%0.08422%0.22CC..Hα-helixtrans-61.9-46178.1-52.70000111.5I94 P95 R96 Q102 F186I94-S98 PolarHBondContact O-N 3.28Å; I94-S98 VanDerWaalsContact O-N 3.16Å; I94-S98 PolarHBondContact O-OG 3.38Å; P95-S98 WeakPolarHBondContact O-CA 3.21Å; P95-S98 VanDerWaalsContact O-CB 3.23Å; P95-S98 WeakPolarHBondContact O-CB 3.29Å; P95-S98 PolarHBondContact O-N 3.44Å; R96-S98 VanDerWaalsContact C-N 3.31Å; S98-Q102 WeakPolarHBondContact O-CB 3.41Å; S98-Q102 PolarHBondContact O-N 3.15Å; S98-F186 WeakPolarHBondContact O-CE2 3.38Å
99L94Very high94.7Very high67 Ų6744.9 Ų44.935%0.35122%0.215SC..Hα-helixtrans-61.5-54.3175.2-71.5-169.9000112.9P95 R96 L101 Q102 E103 E412P95-L99 PolarHBondContact O-N 2.89Å; R96-L99 PolarHBondContact O-N 3.33Å; L99-L101 PolarHBondContact O-N 3.22Å; L99-Q102 WeakPolarHBondContact O-CB 3.44Å; L99-Q102 PolarHBondContact O-N 3.14Å; L99-E103 PolarHBondContact O-N 2.71Å; L99-E412 VanDerWaalsContact CD1-CD 3.45Å; L99-E412 HydrophobicContact CD1-CG 4.33Å; L99-E412 VanDerWaalsContact CD1-OE1 3.31Å; L99-E412 WeakPolarHBondContact CD1-OE1 3.5Å; L99-E412 WeakPolarHBondContact CD2-OE2 3.36Å; L99-E412 VanDerWaalsContact CG-OE2 3.32Å; L99-E412 WeakPolarHBondContact CG-OE2 3.23Å
100M95.9Very high94.8Very high94 Ų9444.5 Ų44.546%0.46321%0.212SC..Hα-helixtrans-60.9-35.5-176.7-68.3-177.6-65.300112R96 Y97 L104R96-M100 HydrophobicContact CB-CE 4.41Å; R96-M100 WeakPolarHBondContact O-CE 3.13Å; R96-M100 WeakPolarHBondContact O-CG 3.48Å; R96-M100 PolarHBondContact O-N 3.32Å; R96-M100 VanDerWaalsContact O-N 3.09Å; Y97-M100 HydrophobicContact CD1-CE 3.78Å; Y97-M100 HydrophobicContact CE1-CE 4.39Å; M100-L104 WeakPolarHBondContact O-CB 3.24Å; M100-L104 PolarHBondContact O-N 3.08Å
101L96.2Very high94.8Very high4 Ų450.1 Ų50.12%0.02124%0.24CC..Hα-helixtrans-72.1-35174.3-71.8171.9000112.4V28 F32 Y97 L99 L104 V105 L182 F186 V189V28-L101 HydrophobicContact CG1-CD2 4.29Å; F32-L101 HydrophobicContact CB-CD1 4.33Å; F32-L101 HydrophobicContact CD1-CD1 3.86Å; F32-L101 HydrophobicContact CD2-CD1 4.06Å; F32-L101 HydrophobicContact CD2-CD2 3.73Å; F32-L101 HydrophobicContact CD2-CG 4.37Å; F32-L101 HydrophobicContact CE1-CD1 4.12Å; F32-L101 HydrophobicContact CE2-CD1 4.31Å; F32-L101 HydrophobicContact CE2-CD2 3.95Å; F32-L101 HydrophobicContact CE2-CG 4.38Å; F32-L101 HydrophobicContact CG-CD1 3.8Å; F32-L101 HydrophobicContact CG-CD2 4.26Å; F32-L101 HydrophobicContact CZ-CD1 4.33Å; Y97-L101 VanDerWaalsContact O-CB 3.26Å; Y97-L101 WeakPolarHBondContact O-CB 3.48Å; Y97-L101 WeakPolarHBondContact O-CD1 3.26Å; Y97-L101 WeakPolarHBondContact O-CG 3.41Å; Y97-L101 PolarHBondContact O-N 3.01Å; L99-L101 PolarHBondContact O-N 3.22Å; L101-L104 PolarHBondContact O-N 3.33Å; L101-V105 WeakPolarHBondContact O-CB 3.41Å; L101-V105 VanDerWaalsContact O-CG2 3.24Å; L101-V105 WeakPolarHBondContact O-CG2 3.32Å; L101-V105 PolarHBondContact O-N 3.42Å; L101-L182 HydrophobicContact CD2-CD1 3.86Å; L101-F186 HydrophobicContact CB-CB 4.18Å; L101-F186 HydrophobicContact CB-CD2 3.7Å; L101-F186 HydrophobicContact CB-CG 4.33Å; L101-V189 HydrophobicContact CD1-CB 4.1Å; L101-V189 HydrophobicContact CD1-CG1 4.26Å; L101-V189 HydrophobicContact CD1-CG2 3.87Å
102Q96.6Very high94.9Very high27 Ų2751.7 Ų51.713%0.12625%0.248CC..Hα-helixtrans-62.7-45.4173.8-172.6172.6-2400111.2S98 L99 V105 V106 A123 N127 F186S98-Q102 WeakPolarHBondContact O-CB 3.41Å; S98-Q102 PolarHBondContact O-N 3.15Å; L99-Q102 WeakPolarHBondContact O-CB 3.44Å; L99-Q102 PolarHBondContact O-N 3.14Å; Q102-V105 PolarHBondContact O-N 2.91Å; Q102-V106 WeakPolarHBondContact O-CG2 3.29Å; Q102-V106 PolarHBondContact O-N 3.04Å; Q102-A123 HydrophobicContact CG-CB 4.18Å; Q102-N127 PolarHBondContact OE1-ND2 3.29Å; Q102-F186 HydrophobicContact CB-CE2 3.64Å; Q102-F186 HydrophobicContact CB-CZ 3.71Å; Q102-F186 HydrophobicContact CG-CE2 4.35Å; Q102-F186 HydrophobicContact CG-CZ 3.89Å
103E96.4Very high95Very high130 Ų13051.1 Ų51.161%0.60726%0.259SS*.Hα-helixtrans-60.6-47.1175.5-68.9178.7168.200111.5L99 V105 V106 I107L99-E103 PolarHBondContact O-N 2.71Å; E103-V105 PolarHBondContact O-N 3.28Å; E103-V106 PolarHBondContact O-N 3.16Å; E103-I107 WeakPolarHBondContact O-CG1 3.41Å; E103-I107 PolarHBondContact O-N 2.95Å; E103-I107 VanDerWaalsContact O-N 3.08Å
104L96.2Very high94.9Very high62 Ų6246.4 Ų46.433%0.32524%0.242SC..Hα-helixtrans-63.3-39.8178-172.661.6000112.3V28 M100 L101 I107 C108 L182V28-L104 HydrophobicContact CG1-CD2 3.86Å; M100-L104 WeakPolarHBondContact O-CB 3.24Å; M100-L104 PolarHBondContact O-N 3.08Å; L101-L104 PolarHBondContact O-N 3.33Å; L104-I107 PolarHBondContact O-N 3.22Å; L104-C108 PolarHBondContact O-N 3.11Å; L104-C108 PolarHBondContact O-SG 2.99Å; L104-C108 VanDerWaalsContact O-SG 3.38Å; L104-L182 HydrophobicContact CB-CD2 4.43Å; L104-L182 HydrophobicContact CD2-CD1 3.98Å; L104-L182 HydrophobicContact CD2-CD2 4.12Å; L104-L182 HydrophobicContact CG-CD2 3.83Å
105V96.4Very high94.9Very high0 Ų049.1 Ų49.10%026%0.261CS..Hα-helixtrans-61-43.7173.8163.40000111.1L101 Q102 E103 I107 C108 L109 A123 L182 I183 F186L101-V105 WeakPolarHBondContact O-CB 3.41Å; L101-V105 VanDerWaalsContact O-CG2 3.24Å; L101-V105 WeakPolarHBondContact O-CG2 3.32Å; L101-V105 PolarHBondContact O-N 3.42Å; Q102-V105 PolarHBondContact O-N 2.91Å; E103-V105 PolarHBondContact O-N 3.28Å; V105-I107 VanDerWaalsContact C-N 3.31Å; V105-I107 PolarHBondContact O-N 2.7Å; V105-C108 PolarHBondContact O-N 2.87Å; V105-L109 HydrophobicContact CG1-CD1 3.76Å; V105-L109 HydrophobicContact CG1-CG 4.24Å; V105-L109 WeakPolarHBondContact O-CB 3.22Å; V105-L109 VanDerWaalsContact O-CG 3.23Å; V105-L109 WeakPolarHBondContact O-CG 3.35Å; V105-L109 PolarHBondContact O-N 2.81Å; V105-A123 HydrophobicContact CG1-CB 4.24Å; V105-L182 HydrophobicContact CG2-CD2 3.83Å; V105-L182 HydrophobicContact CG2-CG 3.78Å; V105-I183 HydrophobicContact CG1-CD1 4.38Å; V105-I183 HydrophobicContact CG1-CG1 3.78Å; V105-I183 HydrophobicContact CG2-CG1 4.02Å; V105-F186 HydrophobicContact CG2-CB 4Å; V105-F186 HydrophobicContact CG2-CD1 4.2Å; V105-F186 HydrophobicContact CG2-CG 4.2Å
106V96.3Very high95Very high14 Ų1453.4 Ų53.49%0.08528%0.284CS..Hα-helixtrans-60.8-41.5176.7170.50000111.1Q102 E103 Q110 A119 A123Q102-V106 WeakPolarHBondContact O-CG2 3.29Å; Q102-V106 PolarHBondContact O-N 3.04Å; E103-V106 PolarHBondContact O-N 3.16Å; V106-Q110 WeakPolarHBondContact O-CG 3.3Å; V106-Q110 PolarHBondContact O-N 3.23Å; V106-Q110 VanDerWaalsContact O-N 3.14Å; V106-A119 HydrophobicContact CG1-CB 4.15Å; V106-A123 HydrophobicContact CG2-CB 3.58Å
107I96.3Very high95Very high90 Ų9050.8 Ų50.846%0.46228%0.283SS..Hα-helixtrans-64.5-48.5176.2-64.9165.9000111E103 L104 V105 L109 Q110 L111E103-I107 WeakPolarHBondContact O-CG1 3.41Å; E103-I107 PolarHBondContact O-N 2.95Å; E103-I107 VanDerWaalsContact O-N 3.08Å; L104-I107 PolarHBondContact O-N 3.22Å; V105-I107 VanDerWaalsContact C-N 3.31Å; V105-I107 PolarHBondContact O-N 2.7Å; I107-L109 VanDerWaalsContact C-N 3.33Å; I107-L109 PolarHBondContact O-N 3.36Å; I107-Q110 WeakPolarHBondContact O-CB 3.27Å; I107-Q110 PolarHBondContact O-N 3.01Å; I107-Q110 VanDerWaalsContact O-N 3.15Å; I107-L111 HydrophobicContact CG2-CD1 4.3Å; I107-L111 WeakPolarHBondContact O-CG 3.49Å; I107-L111 PolarHBondContact O-N 2.96Å
108C95.4Very high94.9Very high27 Ų2753.1 Ų53.118%0.18230%0.295CS..Hα-helixtrans-61.6-39178.5-69.30000112.7L104 V105 Q110 L111 D112 T179 L182L104-C108 PolarHBondContact O-N 3.11Å; L104-C108 PolarHBondContact O-SG 2.99Å; L104-C108 VanDerWaalsContact O-SG 3.38Å; V105-C108 PolarHBondContact O-N 2.87Å; C108-Q110 VanDerWaalsContact C-N 3.32Å; C108-Q110 PolarHBondContact O-N 3Å; C108-L111 PolarHBondContact O-N 2.93Å; C108-D112 PolarHBondContact O-N 3.4Å; C108-T179 HydrophobicContact CB-CG2 3.91Å; C108-L182 HydrophobicContact CB-CD2 4.21Å
109L95.4Very high94.9Very high0 Ų052.6 Ų52.60%029%0.291CS..Hα-helixtrans-63.8-35.3174.9-73.6172.8000112.8V105 I107 D112 G113 L114 A119 C122 M175 T179 I183V105-L109 HydrophobicContact CG1-CD1 3.76Å; V105-L109 HydrophobicContact CG1-CG 4.24Å; V105-L109 WeakPolarHBondContact O-CB 3.22Å; V105-L109 VanDerWaalsContact O-CG 3.23Å; V105-L109 WeakPolarHBondContact O-CG 3.35Å; V105-L109 PolarHBondContact O-N 2.81Å; I107-L109 VanDerWaalsContact C-N 3.33Å; I107-L109 PolarHBondContact O-N 3.36Å; L109-D112 PolarHBondContact O-N 3.26Å; L109-G113 PolarHBondContact O-N 3.44Å; L109-L114 HydrophobicContact CB-CD2 4.42Å; L109-L114 HydrophobicContact CD2-CD2 4.2Å; L109-L114 WeakPolarHBondContact O-CB 3.44Å; L109-L114 PolarHBondContact O-N 2.76Å; L109-L114 VanDerWaalsContact O-N 3.08Å; L109-A119 HydrophobicContact CB-CB 3.75Å; L109-A119 HydrophobicContact CD1-CB 4.38Å; L109-C122 HydrophobicContact CD1-CB 4.05Å; L109-M175 HydrophobicContact CD2-CE 3.36Å; L109-M175 HydrophobicContact CD2-CG 4.22Å; L109-M175 HydrophobicContact CD2-SD 3.65Å; L109-T179 HydrophobicContact CD2-CG2 4.04Å; L109-T179 HydrophobicContact CG-CG2 4.38Å; L109-I183 HydrophobicContact CD2-CD1 4.01Å
110Q95.6Very high95Very high78 Ų7852.1 Ų52.136%0.36429%0.289SS..Hα-helixtrans-69-38.5173.8-70.4171.28.500112V106 I107 C108 D112 G113 N116 A119V106-Q110 WeakPolarHBondContact O-CG 3.3Å; V106-Q110 PolarHBondContact O-N 3.23Å; V106-Q110 VanDerWaalsContact O-N 3.14Å; I107-Q110 WeakPolarHBondContact O-CB 3.27Å; I107-Q110 PolarHBondContact O-N 3.01Å; I107-Q110 VanDerWaalsContact O-N 3.15Å; C108-Q110 VanDerWaalsContact C-N 3.32Å; C108-Q110 PolarHBondContact O-N 3Å; Q110-D112 VanDerWaalsContact C-N 3.3Å; Q110-D112 PolarHBondContact O-N 2.66Å; Q110-G113 WeakPolarHBondContact O-CA 3.21Å; Q110-G113 PolarHBondContact O-N 2.86Å; Q110-N116 PolarHBondContact NE2-OD1 3.41Å; Q110-A119 HydrophobicContact CG-CB 4.02Å
111L94.2Very high94.9Very high140 Ų14054.1 Ų54.173%0.73330%0.295SS*.Hα-helixtrans-65.1-33.9174.6-66.1173.3000112.1I107 C108 G113I107-L111 HydrophobicContact CG2-CD1 4.3Å; I107-L111 WeakPolarHBondContact O-CG 3.49Å; I107-L111 PolarHBondContact O-N 2.96Å; C108-L111 PolarHBondContact O-N 2.93Å; L111-G113 PolarHBondContact O-N 3.45Å
112D93.5Very high94.8Very high34 Ų3454 Ų5418%0.18229%0.294CS..THydrogen-bonded Turntrans-76.28170.1-70.7-18.4000113.4C108 L109 Q110 M175 S176 T179C108-D112 PolarHBondContact O-N 3.4Å; L109-D112 PolarHBondContact O-N 3.26Å; Q110-D112 VanDerWaalsContact C-N 3.3Å; Q110-D112 PolarHBondContact O-N 2.66Å; D112-M175 VanDerWaalsContact OD2-CA 3.29Å; D112-M175 WeakPolarHBondContact OD2-CA 3.34Å; D112-S176 VanDerWaalsContact CG-N 3.35Å; D112-S176 WeakPolarHBondContact OD1-CB 3.44Å; D112-S176 PolarHBondContact OD1-N 3.18Å; D112-S176 PolarHBondContact OD2-N 3.17Å; D112-T179 WeakPolarHBondContact OD2-CB 3.37Å; D112-T179 WeakPolarHBondContact OD2-CG2 3.5Å; D112-T179 PolarHBondContact OD2-OG1 2.81Å
113G92.1Very high94.7Very high50 Ų5052.7 Ų52.752%0.51529%0.288SS..THydrogen-bonded Turntrans86.318.8169.400000116.2L109 Q110 L111L109-G113 PolarHBondContact O-N 3.44Å; Q110-G113 WeakPolarHBondContact O-CA 3.21Å; Q110-G113 PolarHBondContact O-N 2.86Å; L111-G113 PolarHBondContact O-N 3.45Å
114L92.8Very high94.6Very high9 Ų949.6 Ų49.65%0.04728%0.275CS..  trans-81.1146.2166.6-79.267.6000110.5L109 E118 A119 Y171 R174L109-L114 HydrophobicContact CB-CD2 4.42Å; L109-L114 HydrophobicContact CD2-CD2 4.2Å; L109-L114 WeakPolarHBondContact O-CB 3.44Å; L109-L114 PolarHBondContact O-N 2.76Å; L109-L114 VanDerWaalsContact O-N 3.08Å; L114-E118 HydrophobicContact CB-CB 4.17Å; L114-E118 HydrophobicContact CD2-CB 4.2Å; L114-E118 HydrophobicContact CG-CB 4.36Å; L114-A119 HydrophobicContact CB-CB 4.4Å; L114-Y171 HydrophobicContact CD2-CD1 3.94Å; L114-Y171 HydrophobicContact CD2-CD2 4.32Å; L114-Y171 HydrophobicContact CD2-CG 3.84Å; L114-Y171 HydrophobicContact CG-CD1 4.16Å; L114-Y171 HydrophobicContact CG-CG 4.49Å; L114-R174 HydrophobicContact CD1-CB 4.38Å
115S94Very high94.5Very high57 Ų5748 Ų4840%0.39927%0.27SS..  trans-66.6156.6169.469.40000111.3S117 E118 A119S115-S117 PolarHBondContact O-N 2.76Å; S115-S117 VanDerWaalsContact O-N 3.12Å; S115-E118 WeakPolarHBondContact CB-OE2 3.44Å; S115-E118 PolarHBondContact N-OE2 2.64Å; S115-E118 PolarHBondContact O-N 2.83Å; S115-E118 VanDerWaalsContact OG-CD 3.27Å; S115-E118 VanDerWaalsContact OG-CG 3.32Å; S115-E118 WeakPolarHBondContact OG-CG 3.37Å; S115-E118 PolarHBondContact OG-N 3.38Å; S115-E118 PolarHBondContact OG-OE2 3.47Å; S115-A119 PolarHBondContact O-N 2.68Å
116N94.1Very high94.4Very high98 Ų9848.1 Ų48.152%0.52427%0.27SS..Hα-helixtrans-53.2-35.7177.8-175.835000113.2Q110 N120Q110-N116 PolarHBondContact NE2-OD1 3.41Å; N116-N120 WeakPolarHBondContact O-CB 3.31Å; N116-N120 PolarHBondContact O-N 2.77Å; N116-N120 VanDerWaalsContact O-N 3.17Å; N116-N120 PolarHBondContact O-ND2 3.11Å; N116-N120 PolarHBondContact OD1-ND2 3.33Å
117S94.5Very high94.3Very high64 Ų6447.7 Ų47.745%0.44827%0.267SS..Hα-helixtrans-70.4-40.6176.9-168.50000112.5S115 K121S115-S117 PolarHBondContact O-N 2.76Å; S115-S117 VanDerWaalsContact O-N 3.12Å; S117-K121 WeakPolarHBondContact O-CB 3.38Å; S117-K121 WeakPolarHBondContact O-CD 3.45Å; S117-K121 VanDerWaalsContact O-CG 3.22Å; S117-K121 WeakPolarHBondContact O-CG 3.34Å; S117-K121 PolarHBondContact O-N 3.3Å; S117-K121 VanDerWaalsContact O-N 3.1Å; S117-K121 WeakPolarHBondContact OG-CE 3.41Å; S117-K121 PolarHBondContact OG-NZ 3.05Å; S117-K121 VanDerWaalsContact OG-NZ 3.12Å
118E93.8Very high94.2Very high59 Ų5947.3 Ų47.328%0.27627%0.266SS..Hα-helixtrans-68.9-43.8178-68.4163.212900111.3L114 S115 K121 C122 Y171L114-E118 HydrophobicContact CB-CB 4.17Å; L114-E118 HydrophobicContact CD2-CB 4.2Å; L114-E118 HydrophobicContact CG-CB 4.36Å; S115-E118 WeakPolarHBondContact CB-OE2 3.44Å; S115-E118 PolarHBondContact N-OE2 2.64Å; S115-E118 PolarHBondContact O-N 2.83Å; S115-E118 VanDerWaalsContact OG-CD 3.27Å; S115-E118 VanDerWaalsContact OG-CG 3.32Å; S115-E118 WeakPolarHBondContact OG-CG 3.37Å; S115-E118 PolarHBondContact OG-N 3.38Å; S115-E118 PolarHBondContact OG-OE2 3.47Å; E118-K121 PolarHBondContact O-N 2.83Å; E118-C122 VanDerWaalsContact O-CB 3.3Å; E118-C122 WeakPolarHBondContact O-CB 3.34Å; E118-C122 PolarHBondContact O-N 2.66Å; E118-Y171 HydrophobicContact CB-CE1 4.34Å; E118-Y171 HydrophobicContact CG-CE1 4.29Å
119A94.3Very high94.1Very high0 Ų046.2 Ų46.20%026%0.259CS..Hα-helixtrans-59.1-48.8177.500000111.9V106 L109 Q110 L114 S115 C122 A123V106-A119 HydrophobicContact CG1-CB 4.15Å; L109-A119 HydrophobicContact CB-CB 3.75Å; L109-A119 HydrophobicContact CD1-CB 4.38Å; Q110-A119 HydrophobicContact CG-CB 4.02Å; L114-A119 HydrophobicContact CB-CB 4.4Å; S115-A119 PolarHBondContact O-N 2.68Å; A119-C122 PolarHBondContact O-N 3.13Å; A119-A123 WeakPolarHBondContact O-CB 3.42Å; A119-A123 PolarHBondContact O-N 3.11Å
120N94.5Very high94Very high58 Ų5846.2 Ų46.231%0.3126%0.259SS..Hα-helixtrans-63.1-44.7176.7-82.1-73000112.7N116 C122 A123 I124N116-N120 WeakPolarHBondContact O-CB 3.31Å; N116-N120 PolarHBondContact O-N 2.77Å; N116-N120 VanDerWaalsContact O-N 3.17Å; N116-N120 PolarHBondContact O-ND2 3.11Å; N116-N120 PolarHBondContact OD1-ND2 3.33Å; N120-C122 VanDerWaalsContact C-N 3.33Å; N120-C122 PolarHBondContact O-N 3.2Å; N120-A123 PolarHBondContact O-N 3.33Å; N120-I124 WeakPolarHBondContact O-CB 3.47Å; N120-I124 VanDerWaalsContact O-CG1 3.27Å; N120-I124 WeakPolarHBondContact O-CG1 3.49Å; N120-I124 PolarHBondContact O-N 2.98Å
121K94.3Very high93.8Very high135 Ų13546.6 Ų46.659%0.58726%0.257SS*.Hα-helixtrans-60.6-42.4176.9-76167.7-179.9161.10111.8S117 E118 S125S117-K121 WeakPolarHBondContact O-CB 3.38Å; S117-K121 WeakPolarHBondContact O-CD 3.45Å; S117-K121 VanDerWaalsContact O-CG 3.22Å; S117-K121 WeakPolarHBondContact O-CG 3.34Å; S117-K121 PolarHBondContact O-N 3.3Å; S117-K121 VanDerWaalsContact O-N 3.1Å; S117-K121 WeakPolarHBondContact OG-CE 3.41Å; S117-K121 PolarHBondContact OG-NZ 3.05Å; S117-K121 VanDerWaalsContact OG-NZ 3.12Å; E118-K121 PolarHBondContact O-N 2.83Å; K121-S125 VanDerWaalsContact O-CB 3.28Å; K121-S125 WeakPolarHBondContact O-CB 3.41Å; K121-S125 PolarHBondContact O-N 2.87Å
122C94.2Very high93.5Very high1 Ų143.1 Ų43.11%0.00724%0.237CC..Hα-helixtrans-62.3-49.2176.5-168.60000111.1L109 E118 A119 N120 I124 S125 I126L109-C122 HydrophobicContact CD1-CB 4.05Å; E118-C122 VanDerWaalsContact O-CB 3.3Å; E118-C122 WeakPolarHBondContact O-CB 3.34Å; E118-C122 PolarHBondContact O-N 2.66Å; A119-C122 PolarHBondContact O-N 3.13Å; N120-C122 VanDerWaalsContact C-N 3.33Å; N120-C122 PolarHBondContact O-N 3.2Å; C122-I124 PolarHBondContact O-N 2.85Å; C122-S125 PolarHBondContact O-N 2.95Å; C122-I126 WeakPolarHBondContact O-CD1 3.39Å; C122-I126 VanDerWaalsContact O-CG1 3.27Å; C122-I126 WeakPolarHBondContact O-CG1 3.22Å; C122-I126 PolarHBondContact O-N 2.93Å
123A94.6Very high92.6Very high0 Ų049.6 Ų49.60%027%0.266CS..Hα-helixtrans-62.5-4118000000113.1Q102 V105 V106 A119 N120 N127Q102-A123 HydrophobicContact CG-CB 4.18Å; V105-A123 HydrophobicContact CG1-CB 4.24Å; V106-A123 HydrophobicContact CG2-CB 3.58Å; A119-A123 WeakPolarHBondContact O-CB 3.42Å; A119-A123 PolarHBondContact O-N 3.11Å; N120-A123 PolarHBondContact O-N 3.33Å; A123-N127 WeakPolarHBondContact O-CB 3.5Å; A123-N127 PolarHBondContact O-N 3.23Å
124I94.7Very high91.9Very high65 Ų6553.8 Ų53.833%0.33327%0.271SS..Hα-helixtrans-64.5-47.1174.6-67.6165.1000110.5N120 C122 I126 N127 D128N120-I124 WeakPolarHBondContact O-CB 3.47Å; N120-I124 VanDerWaalsContact O-CG1 3.27Å; N120-I124 WeakPolarHBondContact O-CG1 3.49Å; N120-I124 PolarHBondContact O-N 2.98Å; C122-I124 PolarHBondContact O-N 2.85Å; I124-I126 VanDerWaalsContact C-N 3.33Å; I124-I126 PolarHBondContact O-N 3.09Å; I124-N127 WeakPolarHBondContact O-CB 3.45Å; I124-N127 PolarHBondContact O-N 3.39Å; I124-D128 WeakPolarHBondContact CG2-OD2 3.25Å; I124-D128 PolarHBondContact O-N 3.03Å
125S94.2Very high91.5Very high30 Ų3054.2 Ų54.221%0.2127%0.273CS..Hα-helixtrans-59.3-41.4178.1-175.50000112.3K121 C122 A129 D167K121-S125 VanDerWaalsContact O-CB 3.28Å; K121-S125 WeakPolarHBondContact O-CB 3.41Å; K121-S125 PolarHBondContact O-N 2.87Å; C122-S125 PolarHBondContact O-N 2.95Å; S125-A129 VanDerWaalsContact O-CB 3.23Å; S125-A129 WeakPolarHBondContact O-CB 3.42Å; S125-A129 PolarHBondContact O-N 3.3Å; S125-D167 VanDerWaalsContact CB-OD2 3.29Å; S125-D167 WeakPolarHBondContact CB-OD2 3.29Å; S125-D167 PolarHBondContact OG-OD2 2.91Å
126I94.3Very high91.2Very high2 Ų256.2 Ų56.21%0.0128%0.278CS..Hα-helixtrans-62.8-42.8173.2-66.7156.1000111.3C122 I124 A130 F165 L168 I183 F186 A187C122-I126 WeakPolarHBondContact O-CD1 3.39Å; C122-I126 VanDerWaalsContact O-CG1 3.27Å; C122-I126 WeakPolarHBondContact O-CG1 3.22Å; C122-I126 PolarHBondContact O-N 2.93Å; I124-I126 VanDerWaalsContact C-N 3.33Å; I124-I126 PolarHBondContact O-N 3.09Å; I126-A130 VanDerWaalsContact O-CB 3.27Å; I126-A130 WeakPolarHBondContact O-CB 3.28Å; I126-A130 PolarHBondContact O-N 3.48Å; I126-F165 HydrophobicContact CG1-CD1 4.49Å; I126-F165 HydrophobicContact CG2-CE1 4.27Å; I126-L168 HydrophobicContact CD1-CD1 4.41Å; I126-I183 HydrophobicContact CD1-CD1 4.47Å; I126-I183 HydrophobicContact CD1-CG1 4.46Å; I126-I183 HydrophobicContact CD1-CG2 3.72Å; I126-I183 HydrophobicContact CG1-CG2 4.43Å; I126-I183 HydrophobicContact CG2-CG2 4.31Å; I126-F186 HydrophobicContact CB-CE1 4.27Å; I126-F186 HydrophobicContact CG2-CD1 3.82Å; I126-F186 HydrophobicContact CG2-CE1 3.83Å; I126-A187 HydrophobicContact CG2-CB 4.02Å
127N94.5Very high90.8Very high4 Ų451.6 Ų51.62%0.02125%0.253CS..Hα-helixtrans-63-50.1178.7-165-19.1000110.9Q102 A123 I124 A129 A130 R131 F186 V190Q102-N127 PolarHBondContact OE1-ND2 3.29Å; A123-N127 WeakPolarHBondContact O-CB 3.5Å; A123-N127 PolarHBondContact O-N 3.23Å; I124-N127 WeakPolarHBondContact O-CB 3.45Å; I124-N127 PolarHBondContact O-N 3.39Å; N127-A129 VanDerWaalsContact C-N 3.34Å; N127-A129 PolarHBondContact O-N 3.12Å; N127-A130 PolarHBondContact O-N 3Å; N127-R131 VanDerWaalsContact CG-CZ 3.44Å; N127-R131 PolarHBondContact ND2-NH2 3.46Å; N127-R131 WeakPolarHBondContact O-CB 3.39Å; N127-R131 VanDerWaalsContact O-CG 3.31Å; N127-R131 WeakPolarHBondContact O-CG 3.23Å; N127-R131 PolarHBondContact O-N 2.98Å; N127-R131 WeakPolarHBondContact OD1-CD 3.26Å; N127-R131 PolarHBondContact OD1-NE 3.12Å; N127-R131 PolarHBondContact OD1-NH1 3.27Å; N127-F186 HydrophobicContact CB-CE1 4.36Å; N127-F186 HydrophobicContact CB-CZ 3.93Å; N127-V190 WeakPolarHBondContact OD1-CG1 3.28Å
128D94Very high90.4Very high82 Ų8251.6 Ų51.644%0.43925%0.246SC..Hα-helixtrans-67.1-33.8-178.9-66.4-19.9000112.7I124 R131I124-D128 WeakPolarHBondContact CG2-OD2 3.25Å; I124-D128 PolarHBondContact O-N 3.03Å; D128-R131 IonicContact OD1-NH1 3.98Å; D128-R131 PolarHBondContact OD1-NH1 2.89Å
129A92.4Very high90.3Very high5 Ų554 Ų544%0.04125%0.253CS..Hα-helixtrans-64.8-46.5169.800000112.1S125 N127 R131 Q132 M135 T164 F165S125-A129 VanDerWaalsContact O-CB 3.23Å; S125-A129 WeakPolarHBondContact O-CB 3.42Å; S125-A129 PolarHBondContact O-N 3.3Å; N127-A129 VanDerWaalsContact C-N 3.34Å; N127-A129 PolarHBondContact O-N 3.12Å; A129-R131 VanDerWaalsContact C-N 3.31Å; A129-R131 PolarHBondContact O-N 3.15Å; A129-Q132 WeakPolarHBondContact O-CB 3.47Å; A129-Q132 VanDerWaalsContact O-CG 3.25Å; A129-Q132 WeakPolarHBondContact O-CG 3.27Å; A129-Q132 PolarHBondContact O-N 3.45Å; A129-M135 WeakPolarHBondContact O-CG 3.27Å; A129-T164 HydrophobicContact CB-CG2 4.23Å; A129-T164 WeakPolarHBondContact CB-O 3.49Å; A129-F165 HydrophobicContact CB-CD1 3.87Å; A129-F165 HydrophobicContact CB-CE1 3.63Å; A129-F165 HydrophobicContact CB-CZ 4.36Å
130A92.8Very high90.1Very high0 Ų054 Ų540%025%0.253CS..Hα-helixtrans-69.2-25.6178.800000113.6I126 N127 Q132 M135 A187 V190I126-A130 VanDerWaalsContact O-CB 3.27Å; I126-A130 WeakPolarHBondContact O-CB 3.28Å; I126-A130 PolarHBondContact O-N 3.48Å; N127-A130 PolarHBondContact O-N 3Å; A130-Q132 VanDerWaalsContact C-N 3.27Å; A130-Q132 PolarHBondContact O-N 3.37Å; A130-M135 WeakPolarHBondContact O-CB 3.48Å; A130-A187 HydrophobicContact CB-CB 4.15Å; A130-A187 WeakPolarHBondContact CB-O 3.39Å; A130-V190 HydrophobicContact CB-CB 3.91Å; A130-V190 HydrophobicContact CB-CG1 3.63Å
131R92Very high90Very high85 Ų8551.4 Ų51.432%0.32124%0.24SC..THydrogen-bonded Turntrans-73.3-10.5175.1-79.3173.6175.4144-1.1114.4N127 D128 A129 H133 V190N127-R131 VanDerWaalsContact CG-CZ 3.44Å; N127-R131 PolarHBondContact ND2-NH2 3.46Å; N127-R131 WeakPolarHBondContact O-CB 3.39Å; N127-R131 VanDerWaalsContact O-CG 3.31Å; N127-R131 WeakPolarHBondContact O-CG 3.23Å; N127-R131 PolarHBondContact O-N 2.98Å; N127-R131 WeakPolarHBondContact OD1-CD 3.26Å; N127-R131 PolarHBondContact OD1-NE 3.12Å; N127-R131 PolarHBondContact OD1-NH1 3.27Å; D128-R131 IonicContact OD1-NH1 3.98Å; D128-R131 PolarHBondContact OD1-NH1 2.89Å; A129-R131 VanDerWaalsContact C-N 3.31Å; A129-R131 PolarHBondContact O-N 3.15Å; R131-H133 PolarHBondContact O-N 3.01Å; R131-V190 HydrophobicContact CG-CG1 3.75Å
132Q87.5Confident89.9Confident67 Ų6747.6 Ų47.631%0.31323%0.228SC..SBendtrans-59.1133.1-178.5-67.1173.69.700111A129 A130 F134 M135A129-Q132 WeakPolarHBondContact O-CB 3.47Å; A129-Q132 VanDerWaalsContact O-CG 3.25Å; A129-Q132 WeakPolarHBondContact O-CG 3.27Å; A129-Q132 PolarHBondContact O-N 3.45Å; A130-Q132 VanDerWaalsContact C-N 3.27Å; A130-Q132 PolarHBondContact O-N 3.37Å; Q132-F134 HydrophobicContact CB-CD1 4.34Å; Q132-F134 HydrophobicContact CB-CE1 3.9Å; Q132-F134 HydrophobicContact CB-CE2 4.49Å; Q132-F134 HydrophobicContact CB-CZ 3.99Å; Q132-F134 HydrophobicContact CG-CZ 4.45Å; Q132-F134 PolarHBondContact O-N 3.1Å; Q132-M135 HydrophobicContact CB-CG 4.17Å; Q132-M135 WeakPolarHBondContact O-CB 3.49Å; Q132-M135 PolarHBondContact O-N 3.44Å
133H74.8Confident89.7Confident170 Ų17048.4 Ų48.479%0.78723%0.232SC*.THydrogen-bonded Turntrans-56.7-13.9-170.2-73.979.9000116R131R131-H133 PolarHBondContact O-N 3.01Å
134F77.4Confident89.6Confident139 Ų13948.5 Ų48.561%0.6123%0.233SC*.THydrogen-bonded Turntrans-106.90.9179.455-90.7000113.5Q132 I136Q132-F134 HydrophobicContact CB-CD1 4.34Å; Q132-F134 HydrophobicContact CB-CE1 3.9Å; Q132-F134 HydrophobicContact CB-CE2 4.49Å; Q132-F134 HydrophobicContact CB-CZ 3.99Å; Q132-F134 HydrophobicContact CG-CZ 4.45Å; Q132-F134 PolarHBondContact O-N 3.1Å; F134-I136 PolarHBondContact O-N 3.12Å
135M85.7Confident89.5Confident18 Ų1848.2 Ų48.29%0.08923%0.231CC..  trans-71.9117.7174.8-80.2-61.5111.200111.2A129 A130 Q132 Y139 A140 L143 T164 A191A129-M135 WeakPolarHBondContact O-CG 3.27Å; A130-M135 WeakPolarHBondContact O-CB 3.48Å; Q132-M135 HydrophobicContact CB-CG 4.17Å; Q132-M135 WeakPolarHBondContact O-CB 3.49Å; Q132-M135 PolarHBondContact O-N 3.44Å; M135-Y139 HydrophobicContact CE-CD1 4.36Å; M135-Y139 HydrophobicContact CE-CE1 4.5Å; M135-Y139 HydrophobicContact SD-CD1 4.44Å; M135-A140 HydrophobicContact SD-CB 4.5Å; M135-L143 HydrophobicContact SD-CD1 4.48Å; M135-T164 HydrophobicContact CE-CG2 4.23Å; M135-T164 HydrophobicContact SD-CG2 4.32Å; M135-A191 HydrophobicContact CB-CB 4.25Å
136I86.7Confident89.2Confident98 Ų9852.3 Ų52.350%0.50325%0.246SC..  trans-84.9130.3170.2-62.8171.6000107.2F134 E138 Y139 A140F134-I136 PolarHBondContact O-N 3.12Å; I136-E138 VanDerWaalsContact C-N 3.32Å; I136-E138 VanDerWaalsContact CG2-OE2 3.23Å; I136-E138 WeakPolarHBondContact CG2-OE2 3.31Å; I136-E138 PolarHBondContact O-N 3.17Å; I136-Y139 WeakPolarHBondContact O-CA 3.43Å; I136-Y139 WeakPolarHBondContact O-CB 3.41Å; I136-Y139 PolarHBondContact O-N 2.95Å; I136-A140 PolarHBondContact O-N 2.83Å
137P85.6Confident88.9Confident2 Ų254 Ų541%0.01325%0.254CS..Hα-helixtrans-50.5-44.6-174.8-34.338.8000115.8Y139 S188 A191 T192P137-Y139 VanDerWaalsContact C-N 3.31Å; P137-Y139 PolarHBondContact O-N 2.87Å; P137-S188 VanDerWaalsContact C-OG 3.26Å; P137-S188 WeakPolarHBondContact O-CB 3.37Å; P137-S188 PolarHBondContact O-OG 2.94Å; P137-A191 HydrophobicContact CB-CB 4.38Å; P137-A191 HydrophobicContact CG-CB 4.18Å; P137-T192 VanDerWaalsContact CB-OG1 3.27Å; P137-T192 WeakPolarHBondContact CB-OG1 3.43Å; P137-T192 WeakPolarHBondContact CG-OG1 3.46Å
138E86.9Confident88.7Confident63 Ų6355.9 Ų55.929%0.29426%0.261SS..Hα-helixtrans-70.9-30.2179.4-57.788.4163.400111.8P37 K40 I136 T142P37-E138 HydrophobicContact CB-CG 4.2Å; P37-E138 HydrophobicContact CG-CG 3.93Å; K40-E138 WeakPolarHBondContact CE-OE1 3.19Å; K40-E138 IonicContact NZ-OE1 2.72Å; K40-E138 PolarHBondContact NZ-OE1 3.38Å; K40-E138 IonicContact NZ-OE2 3.74Å; K40-E138 PolarHBondContact NZ-OE2 3.41Å; I136-E138 VanDerWaalsContact C-N 3.32Å; I136-E138 VanDerWaalsContact CG2-OE2 3.23Å; I136-E138 WeakPolarHBondContact CG2-OE2 3.31Å; I136-E138 PolarHBondContact O-N 3.17Å; E138-T142 WeakPolarHBondContact O-CB 3.31Å; E138-T142 PolarHBondContact O-N 2.89Å; E138-T142 VanDerWaalsContact O-N 3.12Å; E138-T142 PolarHBondContact O-OG1 3.17Å
139Y90.1Very high88.4Confident110 Ų11055.2 Ų55.243%0.43126%0.258SS..Hα-helixtrans-73-39.8178.4-170.3-117.7000111.7M135 I136 P137 A141 T142 L143M135-Y139 HydrophobicContact CE-CD1 4.36Å; M135-Y139 HydrophobicContact CE-CE1 4.5Å; M135-Y139 HydrophobicContact SD-CD1 4.44Å; I136-Y139 WeakPolarHBondContact O-CA 3.43Å; I136-Y139 WeakPolarHBondContact O-CB 3.41Å; I136-Y139 PolarHBondContact O-N 2.95Å; P137-Y139 VanDerWaalsContact C-N 3.31Å; P137-Y139 PolarHBondContact O-N 2.87Å; Y139-A141 PolarHBondContact O-N 2.97Å; Y139-T142 WeakPolarHBondContact O-CB 3.49Å; Y139-T142 PolarHBondContact O-N 3.06Å; Y139-T142 VanDerWaalsContact O-N 3.11Å; Y139-L143 HydrophobicContact CD1-CD1 3.95Å; Y139-L143 HydrophobicContact CD1-CG 4.2Å; Y139-L143 HydrophobicContact CE1-CD1 3.63Å; Y139-L143 HydrophobicContact CE1-CD2 4.12Å; Y139-L143 HydrophobicContact CE1-CG 3.92Å; Y139-L143 HydrophobicContact CE2-CD2 4.15Å; Y139-L143 HydrophobicContact CE2-CG 4.33Å; Y139-L143 WeakPolarHBondContact O-CG 3.36Å; Y139-L143 PolarHBondContact O-N 2.94Å
140A91.6Very high87.9Confident0 Ų057 Ų570%027%0.267CS..Hα-helixtrans-56.4-49.1176.200000111.9M135 I136 T142 L143 I144 A187 A191M135-A140 HydrophobicContact SD-CB 4.5Å; I136-A140 PolarHBondContact O-N 2.83Å; A140-T142 PolarHBondContact O-N 2.83Å; A140-L143 PolarHBondContact O-N 2.9Å; A140-I144 PolarHBondContact O-N 3.05Å; A140-A187 HydrophobicContact CB-CB 4.3Å; A140-A191 HydrophobicContact CB-CB 4.37Å
141A92.2Very high87.3Confident4 Ų461.5 Ų61.53%0.03329%0.287CS..Hα-helixtrans-61.3-43.7173.500000112.4L33 Y139 L143 I144 L145 A184L33-A141 HydrophobicContact CD1-CB 3.58Å; Y139-A141 PolarHBondContact O-N 2.97Å; A141-L143 VanDerWaalsContact C-N 3.32Å; A141-L143 PolarHBondContact O-N 3.23Å; A141-I144 PolarHBondContact O-N 2.84Å; A141-L145 WeakPolarHBondContact O-CG 3.39Å; A141-L145 PolarHBondContact O-N 2.87Å; A141-A184 HydrophobicContact CB-CB 4.16Å; A141-A184 WeakPolarHBondContact CB-O 3.48Å
142T91Very high86.7Confident54 Ų5463.1 Ų63.133%0.33130%0.298SS..Hα-helixtrans-61.2-38.2179.8-60.30000112.3E138 Y139 A140 K146E138-T142 WeakPolarHBondContact O-CB 3.31Å; E138-T142 PolarHBondContact O-N 2.89Å; E138-T142 VanDerWaalsContact O-N 3.12Å; E138-T142 PolarHBondContact O-OG1 3.17Å; Y139-T142 WeakPolarHBondContact O-CB 3.49Å; Y139-T142 PolarHBondContact O-N 3.06Å; Y139-T142 VanDerWaalsContact O-N 3.11Å; A140-T142 PolarHBondContact O-N 2.83Å; T142-K146 HydrophobicContact CG2-CD 3.97Å; T142-K146 HydrophobicContact CG2-CG 4.42Å; T142-K146 WeakPolarHBondContact O-CB 3.23Å; T142-K146 VanDerWaalsContact O-CG 3.25Å; T142-K146 WeakPolarHBondContact O-CG 3.37Å; T142-K146 PolarHBondContact O-N 3.39Å
143L90.9Very high86.1Confident19 Ų1964.7 Ų64.710%0.09931%0.306CS..Hα-helixtrans-63.8-46176.5-74.9-179.6000111.8M135 Y139 A140 A141 K146 L147 D162 F165M135-L143 HydrophobicContact SD-CD1 4.48Å; Y139-L143 HydrophobicContact CD1-CD1 3.95Å; Y139-L143 HydrophobicContact CD1-CG 4.2Å; Y139-L143 HydrophobicContact CE1-CD1 3.63Å; Y139-L143 HydrophobicContact CE1-CD2 4.12Å; Y139-L143 HydrophobicContact CE1-CG 3.92Å; Y139-L143 HydrophobicContact CE2-CD2 4.15Å; Y139-L143 HydrophobicContact CE2-CG 4.33Å; Y139-L143 WeakPolarHBondContact O-CG 3.36Å; Y139-L143 PolarHBondContact O-N 2.94Å; A140-L143 PolarHBondContact O-N 2.9Å; A141-L143 VanDerWaalsContact C-N 3.32Å; A141-L143 PolarHBondContact O-N 3.23Å; L143-K146 PolarHBondContact O-N 3.42Å; L143-L147 WeakPolarHBondContact O-CB 3.35Å; L143-L147 PolarHBondContact O-N 2.94Å; L143-D162 VanDerWaalsContact CD2-OD2 3.23Å; L143-D162 WeakPolarHBondContact CD2-OD2 3.39Å; L143-F165 HydrophobicContact CB-CD2 4.11Å; L143-F165 HydrophobicContact CB-CE2 3.88Å; L143-F165 HydrophobicContact CD1-CD2 4.42Å; L143-F165 HydrophobicContact CD1-CE2 3.97Å
144I92.3Very high85.2Confident1 Ų163.1 Ų63.11%0.00531%0.308CS..Hα-helixtrans-64.4-45.5179.3-70157.8000111.2A140 A141 K146 L147 W148 F165 L168 I180 I183 A184 A187A140-I144 PolarHBondContact O-N 3.05Å; A141-I144 PolarHBondContact O-N 2.84Å; I144-K146 PolarHBondContact O-N 3.31Å; I144-L147 WeakPolarHBondContact O-CB 3.4Å; I144-L147 PolarHBondContact O-N 3.38Å; I144-W148 PolarHBondContact O-N 3.01Å; I144-W148 VanDerWaalsContact O-N 3.13Å; I144-F165 HydrophobicContact CD1-CE1 4.11Å; I144-F165 HydrophobicContact CD1-CE2 4.25Å; I144-F165 HydrophobicContact CD1-CZ 3.95Å; I144-F165 HydrophobicContact CG1-CD1 4.46Å; I144-F165 HydrophobicContact CG1-CD2 4.06Å; I144-F165 HydrophobicContact CG1-CE1 4.42Å; I144-F165 HydrophobicContact CG1-CE2 4.01Å; I144-F165 HydrophobicContact CG1-CG 4.29Å; I144-F165 HydrophobicContact CG1-CZ 4.2Å; I144-L168 HydrophobicContact CG1-CD2 3.97Å; I144-L168 HydrophobicContact CG2-CD2 4.1Å; I144-I180 HydrophobicContact CG2-CG2 4.33Å; I144-I183 HydrophobicContact CD1-CG2 4.08Å; I144-I183 HydrophobicContact CG2-CG2 4.09Å; I144-A184 HydrophobicContact CB-CB 4.19Å; I144-A184 HydrophobicContact CG2-CB 3.9Å; I144-A187 HydrophobicContact CD1-CB 3.37Å
145L91.8Very high84.2Confident59 Ų5965 Ų6531%0.30932%0.318SS..Hα-helixtrans-66.3-37.1178.7-66.2172000112.2L33 A141 W148 D149 I180 I181 A184L33-L145 HydrophobicContact CD1-CD1 4.42Å; L33-L145 HydrophobicContact CD2-CD1 4.07Å; A141-L145 WeakPolarHBondContact O-CG 3.39Å; A141-L145 PolarHBondContact O-N 2.87Å; L145-W148 PolarHBondContact O-N 3.02Å; L145-D149 PolarHBondContact O-N 3.38Å; L145-I180 HydrophobicContact CD2-CG2 4.44Å; L145-I181 HydrophobicContact CD2-CG1 4.44Å; L145-A184 HydrophobicContact CD1-CB 4.42Å; L145-A184 HydrophobicContact CD2-CB 4.08Å; L145-A184 HydrophobicContact CG-CB 3.94Å
146K89.1Confident82.6Confident117 Ų11768.7 Ų68.751%0.50933%0.332SS..Hα-helixtrans-67.5-37.8172.5-77177.2178.6179.50112.8T142 L143 I144 W148 D149 N150T142-K146 HydrophobicContact CG2-CD 3.97Å; T142-K146 HydrophobicContact CG2-CG 4.42Å; T142-K146 WeakPolarHBondContact O-CB 3.23Å; T142-K146 VanDerWaalsContact O-CG 3.25Å; T142-K146 WeakPolarHBondContact O-CG 3.37Å; T142-K146 PolarHBondContact O-N 3.39Å; L143-K146 PolarHBondContact O-N 3.42Å; I144-K146 PolarHBondContact O-N 3.31Å; K146-W148 PolarHBondContact O-N 3.42Å; K146-D149 PolarHBondContact O-N 2.85Å; K146-N150 VanDerWaalsContact O-CB 3.26Å; K146-N150 WeakPolarHBondContact O-CB 3.43Å; K146-N150 PolarHBondContact O-N 3.17Å; K146-N150 PolarHBondContact O-ND2 3.35Å
147L88.4Confident80.8Confident36 Ų3668.1 Ų68.119%0.18834%0.337CS..Hα-helixtrans-60.3-36.6175.4-172.767.9000111L143 I144 H151 F165 L168 K169 I172L143-L147 WeakPolarHBondContact O-CB 3.35Å; L143-L147 PolarHBondContact O-N 2.94Å; I144-L147 WeakPolarHBondContact O-CB 3.4Å; I144-L147 PolarHBondContact O-N 3.38Å; L147-H151 PolarHBondContact O-N 3.44Å; L147-F165 HydrophobicContact CD2-CB 4.49Å; L147-L168 HydrophobicContact CD2-CD2 4.29Å; L147-L168 HydrophobicContact CD2-CG 4.21Å; L147-K169 HydrophobicContact CD1-CB 4.3Å; L147-K169 HydrophobicContact CD1-CD 4.26Å; L147-K169 HydrophobicContact CD1-CG 4.15Å; L147-K169 HydrophobicContact CD2-CB 4.19Å; L147-I172 HydrophobicContact CB-CD1 4.19Å; L147-I172 HydrophobicContact CD2-CD1 3.99Å; L147-I172 HydrophobicContact CG-CD1 3.68Å
148W89.3Confident79.1Confident44 Ų4472 Ų7217%0.16736%0.364CS..Hα-helixtrans-72.1-48.8174.7177-101000113.6I144 L145 K146 N150 H151 Q152 I172 M175 A177 I180I144-W148 PolarHBondContact O-N 3.01Å; I144-W148 VanDerWaalsContact O-N 3.13Å; L145-W148 PolarHBondContact O-N 3.02Å; K146-W148 PolarHBondContact O-N 3.42Å; W148-N150 VanDerWaalsContact C-N 3.35Å; W148-N150 PolarHBondContact O-N 2.94Å; W148-H151 WeakPolarHBondContact O-CA 3.47Å; W148-H151 WeakPolarHBondContact O-CB 3.5Å; W148-H151 PolarHBondContact O-N 3.27Å; W148-Q152 VanDerWaalsContact CE2-NE2 3.34Å; W148-Q152 VanDerWaalsContact CZ2-NE2 3.3Å; W148-Q152 VanDerWaalsContact NE1-NE2 3.11Å; W148-Q152 PolarHBondContact O-N 3.1Å; W148-I172 HydrophobicContact CB-CD1 4.2Å; W148-I172 HydrophobicContact CE3-CD1 4.16Å; W148-I172 HydrophobicContact CE3-CG1 3.65Å; W148-I172 HydrophobicContact CZ3-CG1 4.19Å; W148-I172 WeakPolarHBondContact CZ3-O 3.26Å; W148-M175 VanDerWaalsContact CH2-O 3.24Å; W148-M175 WeakPolarHBondContact CH2-O 3.43Å; W148-A177 HydrophobicContact CZ2-CB 4.31Å; W148-I180 HydrophobicContact CB-CG2 3.79Å; W148-I180 HydrophobicContact CD2-CB 4.43Å; W148-I180 HydrophobicContact CD2-CG1 3.97Å; W148-I180 HydrophobicContact CD2-CG2 4.17Å; W148-I180 HydrophobicContact CE3-CB 4.49Å; W148-I180 HydrophobicContact CE3-CD1 3.87Å; W148-I180 HydrophobicContact CE3-CG1 3.57Å; W148-I180 HydrophobicContact CE3-CG2 4.49Å; W148-I180 HydrophobicContact CG-CG2 3.85Å; W148-I180 HydrophobicContact CZ3-CD1 4.35Å; W148-I180 HydrophobicContact CZ3-CG1 3.9Å
149D87.4Confident77.1Confident69 Ų6976.3 Ų76.337%0.36938%0.384SS..Hα-helixtrans-58.3-45.9176.7-178.823000111.4L145 K146 H151 Q152 Q153L145-D149 PolarHBondContact O-N 3.38Å; K146-D149 PolarHBondContact O-N 2.85Å; D149-H151 PolarHBondContact O-N 3.32Å; D149-Q152 PolarHBondContact O-N 2.88Å; D149-Q153 VanDerWaalsContact CG-NE2 3.35Å; D149-Q153 WeakPolarHBondContact O-CG 3.5Å; D149-Q153 PolarHBondContact O-N 3.06Å; D149-Q153 VanDerWaalsContact O-N 3.17Å; D149-Q153 PolarHBondContact OD1-NE2 3.07Å; D149-Q153 PolarHBondContact OD2-NE2 3.15Å
150N82.7Confident75.2Confident43 Ų4373.8 Ų73.823%0.2338%0.382CS..Hα-helixtrans-58.1-31.4173.8-70.6-18.3000113.1K146 W148 Y156K146-N150 VanDerWaalsContact O-CB 3.26Å; K146-N150 WeakPolarHBondContact O-CB 3.43Å; K146-N150 PolarHBondContact O-N 3.17Å; K146-N150 PolarHBondContact O-ND2 3.35Å; W148-N150 VanDerWaalsContact C-N 3.35Å; W148-N150 PolarHBondContact O-N 2.94Å; N150-Y156 HydrophobicContact CB-CD1 4.5Å; N150-Y156 HydrophobicContact CB-CD2 3.72Å; N150-Y156 HydrophobicContact CB-CE1 4.43Å; N150-Y156 HydrophobicContact CB-CE2 3.65Å; N150-Y156 HydrophobicContact CB-CG 4.16Å; N150-Y156 PolarHBondContact ND2-OH 2.99Å; N150-Y156 WeakPolarHBondContact O-CB 3.35Å; N150-Y156 WeakPolarHBondContact OD1-CE2 3.38Å
151H80.5Confident73.3Confident93 Ų9382.7 Ų82.743%0.43142%0.423SS..Hα-helixtrans-77.3-29176.1179.7-92.5000112.7L147 W148 D149 Q153 Y173L147-H151 PolarHBondContact O-N 3.44Å; W148-H151 WeakPolarHBondContact O-CA 3.47Å; W148-H151 WeakPolarHBondContact O-CB 3.5Å; W148-H151 PolarHBondContact O-N 3.27Å; D149-H151 PolarHBondContact O-N 3.32Å; H151-Q153 VanDerWaalsContact C-N 3.32Å; H151-Y173 WeakPolarHBondContact NE2-CB 3.46Å
152Q79Confident71.8Confident119 Ų11986 Ų8656%0.55644%0.441SS*.Hα-helixtrans-74.8-22.4174.6-65.9-164.7-25.800112.8W148 D149 V154W148-Q152 VanDerWaalsContact CE2-NE2 3.34Å; W148-Q152 VanDerWaalsContact CZ2-NE2 3.3Å; W148-Q152 VanDerWaalsContact NE1-NE2 3.11Å; W148-Q152 PolarHBondContact O-N 3.1Å; D149-Q152 PolarHBondContact O-N 2.88Å; Q152-V154 PolarHBondContact O-N 3.01Å
153Q74.3Confident70.9Confident100 Ų10087.7 Ų87.747%0.46746%0.455SS..SBendtrans-83.4111.5-180-66.4178.732.900111.9D149 H151 H155 Y156D149-Q153 VanDerWaalsContact CG-NE2 3.35Å; D149-Q153 WeakPolarHBondContact O-CG 3.5Å; D149-Q153 PolarHBondContact O-N 3.06Å; D149-Q153 VanDerWaalsContact O-N 3.17Å; D149-Q153 PolarHBondContact OD1-NE2 3.07Å; D149-Q153 PolarHBondContact OD2-NE2 3.15Å; H151-Q153 VanDerWaalsContact C-N 3.32Å; Q153-H155 PolarHBondContact O-N 2.98Å; Q153-Y156 PolarHBondContact O-N 3.26Å
154V56.6Low70.3Confident138 Ų13888 Ų8884%0.83646%0.457SS*.THydrogen-bonded Turntrans-57.3-8.5-170.8-179.90000115.7Q152Q152-V154 PolarHBondContact O-N 3.01Å
155H56.2Low70Confident178 Ų17888.5 Ų88.582%0.82446%0.459SS*.THydrogen-bonded Turntrans-121.723-175.2-72.6-58.5000115Q153 S157Q153-H155 PolarHBondContact O-N 2.98Å; H155-S157 PolarHBondContact O-N 3.06Å; H155-S157 VanDerWaalsContact O-N 3.17Å
156Y51.3Low69.5Low95 Ų9589 Ų8937%0.37347%0.468SS..  trans-73.2107.4-176.7-158.2-94000114.2N150 Q153 S160N150-Y156 HydrophobicContact CB-CD1 4.5Å; N150-Y156 HydrophobicContact CB-CD2 3.72Å; N150-Y156 HydrophobicContact CB-CE1 4.43Å; N150-Y156 HydrophobicContact CB-CE2 3.65Å; N150-Y156 HydrophobicContact CB-CG 4.16Å; N150-Y156 PolarHBondContact ND2-OH 2.99Å; N150-Y156 WeakPolarHBondContact O-CB 3.35Å; N150-Y156 WeakPolarHBondContact OD1-CE2 3.38Å; Q153-Y156 PolarHBondContact O-N 3.26Å; Y156-S160 WeakPolarHBondContact OH-CB 3.37Å; Y156-S160 PolarHBondContact OH-OG 2.99Å; Y156-S160 VanDerWaalsContact OH-OG 3.06Å
157S49.5Very low69.3Low87 Ų8786.9 Ų86.961%0.60846%0.462SS*.  trans-74.6121.7165.248.50000110.5H155 E159H155-S157 PolarHBondContact O-N 3.06Å; H155-S157 VanDerWaalsContact O-N 3.17Å; S157-E159 VanDerWaalsContact C-N 3.29Å; S157-E159 PolarHBondContact O-N 3.15Å
158S49.3Very low69.3Low82 Ų8285.2 Ų85.257%0.57345%0.454SS*.SBendtrans-76.764.8-171177.90000114.2K169S158-K169 PolarHBondContact OG-NZ 2.85Å
159E45.9Very low69.2Low155 Ų15587.6 Ų87.672%0.72447%0.465SS*.  trans-110.6-2179.9-68.9-168.7150.700115.3S157 H161S157-E159 VanDerWaalsContact C-N 3.29Å; S157-E159 PolarHBondContact O-N 3.15Å; E159-H161 PolarHBondContact O-CD2 3.24Å; E159-H161 PolarHBondContact O-N 2.98Å
160S49.8Very low69.1Low56 Ų5692.5 Ų92.539%0.39248%0.478SS..  trans-73.897.8169.167.20000110.6Y156 D162Y156-S160 WeakPolarHBondContact OH-CB 3.37Å; Y156-S160 PolarHBondContact OH-OG 2.99Å; Y156-S160 VanDerWaalsContact OH-OG 3.06Å; S160-D162 PolarHBondContact O-N 3.08Å
161H52Low69.4Low187 Ų18792 Ų9287%0.86647%0.473SS*.  trans-66.726.9178.2-80.1-84.4000115.4E159 S163E159-H161 PolarHBondContact O-CD2 3.24Å; E159-H161 PolarHBondContact O-N 2.98Å; H161-S163 PolarHBondContact O-N 2.79Å
162D60.4Low69.8Low74 Ų7487.8 Ų87.840%0.39645%0.454SS..  trans-75.498175.9-162.6-24.3000110.4L143 S160 T164L143-D162 VanDerWaalsContact CD2-OD2 3.23Å; L143-D162 WeakPolarHBondContact CD2-OD2 3.39Å; S160-D162 PolarHBondContact O-N 3.08Å; D162-T164 PolarHBondContact O-N 3.22Å; D162-T164 WeakPolarHBondContact OD1-CB 3.47Å; D162-T164 PolarHBondContact OD1-N 2.9Å; D162-T164 VanDerWaalsContact OD1-N 3.09Å; D162-T164 PolarHBondContact OD1-OG1 3.01Å
163S72.2Confident70.2Confident90 Ų9088.4 Ų88.463%0.62945%0.452SS*.  trans-76.6-6.8-178.355.60000114H161 F165 S166H161-S163 PolarHBondContact O-N 2.79Å; S163-F165 VanDerWaalsContact C-N 3.34Å; S163-F165 PolarHBondContact O-N 3.27Å; S163-S166 PolarHBondContact O-N 3.08Å; S163-S166 PolarHBondContact O-OG 2.87Å
164T78.4Confident70.8Confident24 Ų2489.1 Ų89.115%0.14745%0.451CS..THydrogen-bonded Turntrans-59.8-39.3-164.4-51.90000113A129 M135 D162A129-T164 HydrophobicContact CB-CG2 4.23Å; A129-T164 WeakPolarHBondContact CB-O 3.49Å; M135-T164 HydrophobicContact CE-CG2 4.23Å; M135-T164 HydrophobicContact SD-CG2 4.32Å; D162-T164 PolarHBondContact O-N 3.22Å; D162-T164 WeakPolarHBondContact OD1-CB 3.47Å; D162-T164 PolarHBondContact OD1-N 2.9Å; D162-T164 VanDerWaalsContact OD1-N 3.09Å; D162-T164 PolarHBondContact OD1-OG1 3.01Å
165F85.1Confident72.5Confident12 Ų1283 Ų835%0.05341%0.413CS..THydrogen-bonded Turntrans-118.547.2180-62.6-71.8000112.5I126 A129 L143 I144 L147 S163 D167 L168 K169I126-F165 HydrophobicContact CG1-CD1 4.49Å; I126-F165 HydrophobicContact CG2-CE1 4.27Å; A129-F165 HydrophobicContact CB-CD1 3.87Å; A129-F165 HydrophobicContact CB-CE1 3.63Å; A129-F165 HydrophobicContact CB-CZ 4.36Å; L143-F165 HydrophobicContact CB-CD2 4.11Å; L143-F165 HydrophobicContact CB-CE2 3.88Å; L143-F165 HydrophobicContact CD1-CD2 4.42Å; L143-F165 HydrophobicContact CD1-CE2 3.97Å; I144-F165 HydrophobicContact CD1-CE1 4.11Å; I144-F165 HydrophobicContact CD1-CE2 4.25Å; I144-F165 HydrophobicContact CD1-CZ 3.95Å; I144-F165 HydrophobicContact CG1-CD1 4.46Å; I144-F165 HydrophobicContact CG1-CD2 4.06Å; I144-F165 HydrophobicContact CG1-CE1 4.42Å; I144-F165 HydrophobicContact CG1-CE2 4.01Å; I144-F165 HydrophobicContact CG1-CG 4.29Å; I144-F165 HydrophobicContact CG1-CZ 4.2Å; L147-F165 HydrophobicContact CD2-CB 4.49Å; S163-F165 VanDerWaalsContact C-N 3.34Å; S163-F165 PolarHBondContact O-N 3.27Å; F165-D167 PolarHBondContact O-N 3.21Å; F165-L168 HydrophobicContact CB-CB 4.2Å; F165-L168 HydrophobicContact CB-CD2 4.4Å; F165-L168 PolarHBondContact O-N 2.88Å; F165-K169 PolarHBondContact O-N 3.16Å
166S82.1Confident74.2Confident69 Ų6976.6 Ų76.648%0.48339%0.388SS..Hα-helixtrans-58.6-41-174.2-67.20000114.3S163 K169S163-S166 PolarHBondContact O-N 3.08Å; S163-S166 PolarHBondContact O-OG 2.87Å; S166-K169 WeakPolarHBondContact O-CB 3.33Å; S166-K169 PolarHBondContact O-N 3.09Å
167D85.1Confident76.1Confident73 Ų7374.4 Ų74.439%0.3939%0.39SS..Hα-helixtrans-69.7-39.4179.1-70-52000112.3S125 F165 K169 R170 Y171S125-D167 VanDerWaalsContact CB-OD2 3.29Å; S125-D167 WeakPolarHBondContact CB-OD2 3.29Å; S125-D167 PolarHBondContact OG-OD2 2.91Å; F165-D167 PolarHBondContact O-N 3.21Å; D167-K169 VanDerWaalsContact C-N 3.3Å; D167-K169 PolarHBondContact O-N 3.29Å; D167-R170 VanDerWaalsContact O-CB 3.26Å; D167-R170 WeakPolarHBondContact O-CB 3.23Å; D167-R170 PolarHBondContact O-N 3.08Å; D167-Y171 VanDerWaalsContact O-CD2 3.26Å; D167-Y171 WeakPolarHBondContact O-CD2 3.42Å
168L88.7Confident78.2Confident2 Ų273.4 Ų73.41%0.0138%0.383CS..Hα-helixtrans-59.7-42176.3177.958.3000111.1I126 I144 L147 F165 R170 Y171 I172 M175 I183I126-L168 HydrophobicContact CD1-CD1 4.41Å; I144-L168 HydrophobicContact CG1-CD2 3.97Å; I144-L168 HydrophobicContact CG2-CD2 4.1Å; L147-L168 HydrophobicContact CD2-CD2 4.29Å; L147-L168 HydrophobicContact CD2-CG 4.21Å; F165-L168 HydrophobicContact CB-CB 4.2Å; F165-L168 HydrophobicContact CB-CD2 4.4Å; F165-L168 PolarHBondContact O-N 2.88Å; L168-R170 PolarHBondContact O-N 3.42Å; L168-R170 VanDerWaalsContact O-N 3.07Å; L168-Y171 PolarHBondContact O-N 2.98Å; L168-I172 PolarHBondContact O-N 3.5Å; L168-M175 HydrophobicContact CD1-CE 3.48Å; L168-M175 VanDerWaalsContact CD1-CE 3.48Å; L168-M175 HydrophobicContact CD1-SD 3.7Å; L168-I183 HydrophobicContact CD1-CD1 4.26Å; L168-I183 HydrophobicContact CD2-CG2 4.04Å
169K86.1Confident80.4Confident93 Ų9369.7 Ų69.740%0.40436%0.357SS..Hα-helixtrans-55.5-25.9175-172.6176.3177.9-178.80112.9L147 S158 F165 S166 D167 I172L147-K169 HydrophobicContact CD1-CB 4.3Å; L147-K169 HydrophobicContact CD1-CD 4.26Å; L147-K169 HydrophobicContact CD1-CG 4.15Å; L147-K169 HydrophobicContact CD2-CB 4.19Å; S158-K169 PolarHBondContact OG-NZ 2.85Å; F165-K169 PolarHBondContact O-N 3.16Å; S166-K169 WeakPolarHBondContact O-CB 3.33Å; S166-K169 PolarHBondContact O-N 3.09Å; D167-K169 VanDerWaalsContact C-N 3.3Å; D167-K169 PolarHBondContact O-N 3.29Å; K169-I172 WeakPolarHBondContact O-CG2 3.37Å
170R86.3Confident82.7Confident173 Ų17362.4 Ų62.465%0.65332%0.323SS*.Hα-helixtrans-78.5-24.6179.7-161179.2-173.8-178.31.3114D167 L168 Y173D167-R170 VanDerWaalsContact O-CB 3.26Å; D167-R170 WeakPolarHBondContact O-CB 3.23Å; D167-R170 PolarHBondContact O-N 3.08Å; L168-R170 PolarHBondContact O-N 3.42Å; L168-R170 VanDerWaalsContact O-N 3.07Å; R170-Y173 VanDerWaalsContact O-CE1 3.24Å; R170-Y173 WeakPolarHBondContact O-CE1 3.47Å
171Y88.6Confident84.9Confident31 Ų3161.5 Ų61.512%0.12231%0.313CS..Hα-helixtrans-112.4-9.9-177.1-57.9-72.4000113.5L114 E118 D167 L168 Y173 R174L114-Y171 HydrophobicContact CD2-CD1 3.94Å; L114-Y171 HydrophobicContact CD2-CD2 4.32Å; L114-Y171 HydrophobicContact CD2-CG 3.84Å; L114-Y171 HydrophobicContact CG-CD1 4.16Å; L114-Y171 HydrophobicContact CG-CG 4.49Å; E118-Y171 HydrophobicContact CB-CE1 4.34Å; E118-Y171 HydrophobicContact CG-CE1 4.29Å; D167-Y171 VanDerWaalsContact O-CD2 3.26Å; D167-Y171 WeakPolarHBondContact O-CD2 3.42Å; L168-Y171 PolarHBondContact O-N 2.98Å; Y171-Y173 PolarHBondContact O-N 2.83Å; Y171-Y173 VanDerWaalsContact O-N 3.08Å; Y171-R174 PolarHBondContact O-N 3.17Å
172I88.7Confident87Confident6 Ų653 Ų533%0.03127%0.274CS..G310 helixtrans-50.1-40-171.6-164.4161.2000113.8L147 W148 L168 K169 R174 M175 I180L147-I172 HydrophobicContact CB-CD1 4.19Å; L147-I172 HydrophobicContact CD2-CD1 3.99Å; L147-I172 HydrophobicContact CG-CD1 3.68Å; W148-I172 HydrophobicContact CB-CD1 4.2Å; W148-I172 HydrophobicContact CE3-CD1 4.16Å; W148-I172 HydrophobicContact CE3-CG1 3.65Å; W148-I172 HydrophobicContact CZ3-CG1 4.19Å; W148-I172 WeakPolarHBondContact CZ3-O 3.26Å; L168-I172 PolarHBondContact O-N 3.5Å; K169-I172 WeakPolarHBondContact O-CG2 3.37Å; I172-R174 PolarHBondContact O-N 3Å; I172-M175 PolarHBondContact O-N 3.23Å; I172-M175 VanDerWaalsContact O-N 3.09Å; I172-I180 HydrophobicContact CD1-CD1 4.42Å; I172-I180 HydrophobicContact CG1-CD1 3.98Å
173Y86.5Confident88.6Confident131 Ų13149.4 Ų49.451%0.51426%0.255SS..G310 helixtrans-64-12.7-179.270.1-93.7000115.3H151 R170 Y171H151-Y173 WeakPolarHBondContact NE2-CB 3.46Å; R170-Y173 VanDerWaalsContact O-CE1 3.24Å; R170-Y173 WeakPolarHBondContact O-CE1 3.47Å; Y171-Y173 PolarHBondContact O-N 2.83Å; Y171-Y173 VanDerWaalsContact O-N 3.08Å
174R88.9Confident89.7Confident115 Ų11545.1 Ų45.143%0.43423%0.225SC..G310 helixtrans-95.5-16.9176.7-58-170.1-178.4-169.9-0.7113.6L114 Y171 I172L114-R174 HydrophobicContact CD1-CB 4.38Å; Y171-R174 PolarHBondContact O-N 3.17Å; I172-R174 PolarHBondContact O-N 3Å
175M90.3Very high90.5Very high9 Ų944 Ų444%0.04422%0.219CC..  trans-83.5147-166.6-59.1-172.8-17000112.5L109 D112 W148 L168 I172 I180 I183L109-M175 HydrophobicContact CD2-CE 3.36Å; L109-M175 HydrophobicContact CD2-CG 4.22Å; L109-M175 HydrophobicContact CD2-SD 3.65Å; D112-M175 VanDerWaalsContact OD2-CA 3.29Å; D112-M175 WeakPolarHBondContact OD2-CA 3.34Å; W148-M175 VanDerWaalsContact CH2-O 3.24Å; W148-M175 WeakPolarHBondContact CH2-O 3.43Å; L168-M175 HydrophobicContact CD1-CE 3.48Å; L168-M175 VanDerWaalsContact CD1-CE 3.48Å; L168-M175 HydrophobicContact CD1-SD 3.7Å; I172-M175 PolarHBondContact O-N 3.23Å; I172-M175 VanDerWaalsContact O-N 3.09Å; M175-I180 HydrophobicContact CB-CD1 3.89Å; M175-I180 HydrophobicContact CB-CG1 3.9Å; M175-I180 HydrophobicContact CG-CD1 4.33Å; M175-I180 HydrophobicContact SD-CD1 3.61Å; M175-I180 HydrophobicContact SD-CG1 4.5Å; M175-I183 HydrophobicContact SD-CD1 3.73Å
176S92.6Very high91Very high44 Ų4443.5 Ų43.531%0.30822%0.216SC..  trans-73.3154.2168.780.50000111.2D112 S178 T179 I180D112-S176 VanDerWaalsContact CG-N 3.35Å; D112-S176 WeakPolarHBondContact OD1-CB 3.44Å; D112-S176 PolarHBondContact OD1-N 3.18Å; D112-S176 PolarHBondContact OD2-N 3.17Å; S176-S178 PolarHBondContact O-N 3.05Å; S176-T179 PolarHBondContact O-N 3.06Å; S176-T179 VanDerWaalsContact O-N 3.15Å; S176-T179 PolarHBondContact OG-N 2.97Å; S176-T179 VanDerWaalsContact OG-N 3.1Å; S176-T179 PolarHBondContact OG-OG1 3.46Å; S176-I180 WeakPolarHBondContact O-CG1 3.47Å; S176-I180 PolarHBondContact O-N 2.77Å
177A92.5Very high91.6Very high49 Ų4940.2 Ų40.241%0.40519%0.193SC..Hα-helixtrans-58.2-34.3174.900000112.2W148 I180 I181W148-A177 HydrophobicContact CZ2-CB 4.31Å; A177-I180 PolarHBondContact O-N 3.47Å; A177-I181 WeakPolarHBondContact O-CD1 3.32Å; A177-I181 VanDerWaalsContact O-CG1 3.24Å; A177-I181 WeakPolarHBondContact O-CG1 3.35Å; A177-I181 PolarHBondContact O-N 3.37Å
178S93.1Very high92.1Very high66 Ų6636.9 Ų36.946%0.46218%0.175SC..Hα-helixtrans-66.1-43.5176.1-56.30000112.1S176 I180 I181 L182S176-S178 PolarHBondContact O-N 3.05Å; S178-I180 VanDerWaalsContact C-N 3.33Å; S178-I180 PolarHBondContact O-N 3.24Å; S178-I181 PolarHBondContact O-N 2.83Å; S178-L182 WeakPolarHBondContact O-CB 3.26Å; S178-L182 PolarHBondContact O-N 2.79Å
179T95.3Very high92.4Very high5 Ų536.8 Ų36.83%0.03118%0.175CC..Hα-helixtrans-60.9-41.7175.1-55.10000111.4C108 L109 D112 S176 L182 I183C108-T179 HydrophobicContact CB-CG2 3.91Å; L109-T179 HydrophobicContact CD2-CG2 4.04Å; L109-T179 HydrophobicContact CG-CG2 4.38Å; D112-T179 WeakPolarHBondContact OD2-CB 3.37Å; D112-T179 WeakPolarHBondContact OD2-CG2 3.5Å; D112-T179 PolarHBondContact OD2-OG1 2.81Å; S176-T179 PolarHBondContact O-N 3.06Å; S176-T179 VanDerWaalsContact O-N 3.15Å; S176-T179 PolarHBondContact OG-N 2.97Å; S176-T179 VanDerWaalsContact OG-N 3.1Å; S176-T179 PolarHBondContact OG-OG1 3.46Å; T179-L182 WeakPolarHBondContact O-CB 3.25Å; T179-L182 PolarHBondContact O-N 3.35Å; T179-I183 HydrophobicContact CG2-CD1 3.85Å; T179-I183 HydrophobicContact CG2-CG1 4.48Å; T179-I183 WeakPolarHBondContact O-CB 3.35Å; T179-I183 VanDerWaalsContact O-CG1 3.26Å; T179-I183 WeakPolarHBondContact O-CG1 3.37Å; T179-I183 PolarHBondContact O-N 3.4Å
180I95Very high92.8Very high1 Ų132.5 Ų32.51%0.00516%0.157CC..Hα-helixtrans-65-42.6177.5-66.9-71.9000112I144 L145 W148 I172 M175 S176 A177 S178 L182 I183 A184I144-I180 HydrophobicContact CG2-CG2 4.33Å; L145-I180 HydrophobicContact CD2-CG2 4.44Å; W148-I180 HydrophobicContact CB-CG2 3.79Å; W148-I180 HydrophobicContact CD2-CB 4.43Å; W148-I180 HydrophobicContact CD2-CG1 3.97Å; W148-I180 HydrophobicContact CD2-CG2 4.17Å; W148-I180 HydrophobicContact CE3-CB 4.49Å; W148-I180 HydrophobicContact CE3-CD1 3.87Å; W148-I180 HydrophobicContact CE3-CG1 3.57Å; W148-I180 HydrophobicContact CE3-CG2 4.49Å; W148-I180 HydrophobicContact CG-CG2 3.85Å; W148-I180 HydrophobicContact CZ3-CD1 4.35Å; W148-I180 HydrophobicContact CZ3-CG1 3.9Å; I172-I180 HydrophobicContact CD1-CD1 4.42Å; I172-I180 HydrophobicContact CG1-CD1 3.98Å; M175-I180 HydrophobicContact CB-CD1 3.89Å; M175-I180 HydrophobicContact CB-CG1 3.9Å; M175-I180 HydrophobicContact CG-CD1 4.33Å; M175-I180 HydrophobicContact SD-CD1 3.61Å; M175-I180 HydrophobicContact SD-CG1 4.5Å; S176-I180 WeakPolarHBondContact O-CG1 3.47Å; S176-I180 PolarHBondContact O-N 2.77Å; A177-I180 PolarHBondContact O-N 3.47Å; S178-I180 VanDerWaalsContact C-N 3.33Å; S178-I180 PolarHBondContact O-N 3.24Å; I180-L182 VanDerWaalsContact C-N 3.34Å; I180-I183 PolarHBondContact O-N 3.12Å; I180-A184 PolarHBondContact O-N 3.11Å
181I94.5Very high93.1Very high38 Ų3824.3 Ų24.320%0.19513%0.126CC..Hα-helixtrans-63.1-42.4175.8-69164.3000110.4E29 K30 L33 L145 A177 S178 A184 G185E29-I181 HydrophobicContact CB-CG2 4.29Å; E29-I181 HydrophobicContact CG-CG2 4.38Å; E29-I181 WeakPolarHBondContact O-CG2 3.49Å; K30-I181 HydrophobicContact CG-CG2 3.98Å; L33-I181 HydrophobicContact CD2-CG2 4.17Å; L145-I181 HydrophobicContact CD2-CG1 4.44Å; A177-I181 WeakPolarHBondContact O-CD1 3.32Å; A177-I181 VanDerWaalsContact O-CG1 3.24Å; A177-I181 WeakPolarHBondContact O-CG1 3.35Å; A177-I181 PolarHBondContact O-N 3.37Å; S178-I181 PolarHBondContact O-N 2.83Å; I181-A184 PolarHBondContact O-N 3.29Å; I181-G185 PolarHBondContact O-N 2.72Å
182L95.6Very high93.3Very high7 Ų722.9 Ų22.94%0.03712%0.12CC..Hα-helixtrans-61-45.2174.4179.468.5000111.8E29 L101 L104 V105 C108 S178 T179 I180 A184 G185 F186E29-L182 HydrophobicContact CB-CB 3.88Å; E29-L182 HydrophobicContact CB-CD1 4.36Å; L101-L182 HydrophobicContact CD2-CD1 3.86Å; L104-L182 HydrophobicContact CB-CD2 4.43Å; L104-L182 HydrophobicContact CD2-CD1 3.98Å; L104-L182 HydrophobicContact CD2-CD2 4.12Å; L104-L182 HydrophobicContact CG-CD2 3.83Å; V105-L182 HydrophobicContact CG2-CD2 3.83Å; V105-L182 HydrophobicContact CG2-CG 3.78Å; C108-L182 HydrophobicContact CB-CD2 4.21Å; S178-L182 WeakPolarHBondContact O-CB 3.26Å; S178-L182 PolarHBondContact O-N 2.79Å; T179-L182 WeakPolarHBondContact O-CB 3.25Å; T179-L182 PolarHBondContact O-N 3.35Å; I180-L182 VanDerWaalsContact C-N 3.34Å; L182-A184 VanDerWaalsContact C-N 3.34Å; L182-A184 PolarHBondContact O-N 2.87Å; L182-G185 PolarHBondContact O-N 2.85Å; L182-F186 WeakPolarHBondContact O-CB 3.2Å; L182-F186 PolarHBondContact O-N 3.44Å
183I95.8Very high93.5Very high0 Ų023.2 Ų23.20%012%0.124CC..Hα-helixtrans-61.7-41177.1-73165.8000111.2V105 L109 I126 I144 L168 M175 T179 I180 F186 A187V105-I183 HydrophobicContact CG1-CD1 4.38Å; V105-I183 HydrophobicContact CG1-CG1 3.78Å; V105-I183 HydrophobicContact CG2-CG1 4.02Å; L109-I183 HydrophobicContact CD2-CD1 4.01Å; I126-I183 HydrophobicContact CD1-CD1 4.47Å; I126-I183 HydrophobicContact CD1-CG1 4.46Å; I126-I183 HydrophobicContact CD1-CG2 3.72Å; I126-I183 HydrophobicContact CG1-CG2 4.43Å; I126-I183 HydrophobicContact CG2-CG2 4.31Å; I144-I183 HydrophobicContact CD1-CG2 4.08Å; I144-I183 HydrophobicContact CG2-CG2 4.09Å; L168-I183 HydrophobicContact CD1-CD1 4.26Å; L168-I183 HydrophobicContact CD2-CG2 4.04Å; M175-I183 HydrophobicContact SD-CD1 3.73Å; T179-I183 HydrophobicContact CG2-CD1 3.85Å; T179-I183 HydrophobicContact CG2-CG1 4.48Å; T179-I183 WeakPolarHBondContact O-CB 3.35Å; T179-I183 VanDerWaalsContact O-CG1 3.26Å; T179-I183 WeakPolarHBondContact O-CG1 3.37Å; T179-I183 PolarHBondContact O-N 3.4Å; I180-I183 PolarHBondContact O-N 3.12Å; I183-F186 PolarHBondContact O-N 3.48Å; I183-A187 WeakPolarHBondContact O-CB 3.27Å; I183-A187 PolarHBondContact O-N 3.48Å
184A94.6Very high93.7Very high0 Ų018.5 Ų18.50%011%0.109CC..Hα-helixtrans-63.2-42.4174.600000111.9L33 A141 I144 L145 I180 I181 L182 S188L33-A184 HydrophobicContact CD1-CB 4.4Å; A141-A184 HydrophobicContact CB-CB 4.16Å; A141-A184 WeakPolarHBondContact CB-O 3.48Å; I144-A184 HydrophobicContact CB-CB 4.19Å; I144-A184 HydrophobicContact CG2-CB 3.9Å; L145-A184 HydrophobicContact CD1-CB 4.42Å; L145-A184 HydrophobicContact CD2-CB 4.08Å; L145-A184 HydrophobicContact CG-CB 3.94Å; I180-A184 PolarHBondContact O-N 3.11Å; I181-A184 PolarHBondContact O-N 3.29Å; L182-A184 VanDerWaalsContact C-N 3.34Å; L182-A184 PolarHBondContact O-N 2.87Å; A184-S188 WeakPolarHBondContact O-CB 3.35Å; A184-S188 PolarHBondContact O-N 3.37Å; A184-S188 VanDerWaalsContact O-N 3.15Å
185G94.9Very high93.8Very high1 Ų116 Ų161%0.0110%0.102CC..Hα-helixtrans-61.1-48.3172.900000112.7I181 L182 S188 V189I181-G185 PolarHBondContact O-N 2.72Å; L182-G185 PolarHBondContact O-N 2.85Å; G185-S188 WeakPolarHBondContact O-CB 3.2Å; G185-S188 PolarHBondContact O-N 2.79Å; G185-V189 WeakPolarHBondContact O-CG2 3.5Å; G185-V189 PolarHBondContact O-N 3.26Å
186F95.8Very high93.8Very high0 Ų015.8 Ų15.80%010%0.101CC..Hα-helixtrans-56.1-53.8176.7167.9-122.7000112.3S98 L101 Q102 V105 I126 N127 L182 I183 S188 V189 V190S98-F186 WeakPolarHBondContact O-CE2 3.38Å; L101-F186 HydrophobicContact CB-CB 4.18Å; L101-F186 HydrophobicContact CB-CD2 3.7Å; L101-F186 HydrophobicContact CB-CG 4.33Å; Q102-F186 HydrophobicContact CB-CE2 3.64Å; Q102-F186 HydrophobicContact CB-CZ 3.71Å; Q102-F186 HydrophobicContact CG-CE2 4.35Å; Q102-F186 HydrophobicContact CG-CZ 3.89Å; V105-F186 HydrophobicContact CG2-CB 4Å; V105-F186 HydrophobicContact CG2-CD1 4.2Å; V105-F186 HydrophobicContact CG2-CG 4.2Å; I126-F186 HydrophobicContact CB-CE1 4.27Å; I126-F186 HydrophobicContact CG2-CD1 3.82Å; I126-F186 HydrophobicContact CG2-CE1 3.83Å; N127-F186 HydrophobicContact CB-CE1 4.36Å; N127-F186 HydrophobicContact CB-CZ 3.93Å; L182-F186 WeakPolarHBondContact O-CB 3.2Å; L182-F186 PolarHBondContact O-N 3.44Å; I183-F186 PolarHBondContact O-N 3.48Å; F186-S188 PolarHBondContact O-N 3.42Å; F186-V189 PolarHBondContact O-N 3.34Å; F186-V189 VanDerWaalsContact O-N 3.11Å; F186-V190 HydrophobicContact CD2-CG2 3.82Å; F186-V190 HydrophobicContact CE2-CG2 3.36Å; F186-V190 HydrophobicContact CZ-CG2 3.79Å; F186-V190 WeakPolarHBondContact O-CG2 3.5Å; F186-V190 PolarHBondContact O-N 3.48Å
187A95.4Very high93.6Very high0 Ų015.7 Ų15.70%010%0.096CC..Hα-helixtrans-59.6-35.117900000112.4I126 A130 A140 I144 I183 A191I126-A187 HydrophobicContact CG2-CB 4.02Å; A130-A187 HydrophobicContact CB-CB 4.15Å; A130-A187 WeakPolarHBondContact CB-O 3.39Å; A140-A187 HydrophobicContact CB-CB 4.3Å; I144-A187 HydrophobicContact CD1-CB 3.37Å; I183-A187 WeakPolarHBondContact O-CB 3.27Å; I183-A187 PolarHBondContact O-N 3.48Å; A187-A191 WeakPolarHBondContact O-CB 3.25Å; A187-A191 PolarHBondContact O-N 3.04Å
188S94.3Very high93.3Very high3 Ų315.7 Ų15.72%0.0219%0.088CC..Hα-helixtrans-67.6-40.7175.7-156.10000112.7S36 P137 A184 G185 F186 T192S36-S188 VanDerWaalsContact CB-OG 3.3Å; S36-S188 WeakPolarHBondContact CB-OG 3.28Å; S36-S188 VanDerWaalsContact OG-CB 3.26Å; S36-S188 WeakPolarHBondContact OG-CB 3.34Å; S36-S188 PolarHBondContact OG-O 3.03Å; S36-S188 PolarHBondContact OG-OG 3.02Å; P137-S188 VanDerWaalsContact C-OG 3.26Å; P137-S188 WeakPolarHBondContact O-CB 3.37Å; P137-S188 PolarHBondContact O-OG 2.94Å; A184-S188 WeakPolarHBondContact O-CB 3.35Å; A184-S188 PolarHBondContact O-N 3.37Å; A184-S188 VanDerWaalsContact O-N 3.15Å; G185-S188 WeakPolarHBondContact O-CB 3.2Å; G185-S188 PolarHBondContact O-N 2.79Å; F186-S188 PolarHBondContact O-N 3.42Å; S188-T192 WeakPolarHBondContact O-CB 3.39Å; S188-T192 PolarHBondContact O-N 3.5Å; S188-T192 PolarHBondContact O-OG1 2.9Å
189V94.8Very high92.9Very high0 Ų015.9 Ų15.90%08%0.082CC..Hα-helixtrans-67.9-43176.3173.10000111.1F32 L39 L101 G185 F186 T192 A193F32-V189 HydrophobicContact CB-CG2 4.37Å; F32-V189 HydrophobicContact CD1-CG2 3.7Å; F32-V189 HydrophobicContact CE1-CG2 4.46Å; F32-V189 HydrophobicContact CG-CG2 4.4Å; L39-V189 HydrophobicContact CD1-CG2 4.15Å; L101-V189 HydrophobicContact CD1-CB 4.1Å; L101-V189 HydrophobicContact CD1-CG1 4.26Å; L101-V189 HydrophobicContact CD1-CG2 3.87Å; G185-V189 WeakPolarHBondContact O-CG2 3.5Å; G185-V189 PolarHBondContact O-N 3.26Å; F186-V189 PolarHBondContact O-N 3.34Å; F186-V189 VanDerWaalsContact O-N 3.11Å; V189-T192 CarbonylContact O-C 3.57Å; V189-T192 WeakPolarHBondContact O-CA 3.48Å; V189-T192 WeakPolarHBondContact O-CB 3.33Å; V189-T192 PolarHBondContact O-N 2.88Å; V189-T192 VanDerWaalsContact O-N 3.1Å; V189-A193 PolarHBondContact O-N 3.49Å
190V94.8Very high92.5Very high3 Ų316 Ų162%0.0188%0.082CC..Hα-helixtrans-59-50.2174.9169.90000111.3N127 A130 R131 F186 T192 A193 T194N127-V190 WeakPolarHBondContact OD1-CG1 3.28Å; A130-V190 HydrophobicContact CB-CB 3.91Å; A130-V190 HydrophobicContact CB-CG1 3.63Å; R131-V190 HydrophobicContact CG-CG1 3.75Å; F186-V190 HydrophobicContact CD2-CG2 3.82Å; F186-V190 HydrophobicContact CE2-CG2 3.36Å; F186-V190 HydrophobicContact CZ-CG2 3.79Å; F186-V190 WeakPolarHBondContact O-CG2 3.5Å; F186-V190 PolarHBondContact O-N 3.48Å; V190-T192 PolarHBondContact O-N 2.72Å; V190-A193 WeakPolarHBondContact O-CB 3.08Å; V190-A193 PolarHBondContact O-N 2.79Å; V190-A193 VanDerWaalsContact O-N 3.07Å; V190-T194 PolarHBondContact O-N 2.97Å
191A93.5Very high92.1Very high1 Ų120.6 Ų20.61%0.00810%0.099CC..Hα-helixtrans-61.4-31.1176.200000112M135 P137 A140 A187 F195M135-A191 HydrophobicContact CB-CB 4.25Å; P137-A191 HydrophobicContact CB-CB 4.38Å; P137-A191 HydrophobicContact CG-CB 4.18Å; A140-A191 HydrophobicContact CB-CB 4.37Å; A187-A191 WeakPolarHBondContact O-CB 3.25Å; A187-A191 PolarHBondContact O-N 3.04Å; A191-F195 WeakPolarHBondContact O-CB 3.08Å; A191-F195 PolarHBondContact O-N 3.48Å
192T92.8Very high91.7Very high1 Ų121 Ų211%0.00610%0.101CC..Hα-helixtrans-69.5-38.1173.7-58.10000112.2S36 L39 K40 P137 S188 V189 V190 F195 L196S36-T192 PolarHBondContact OG-OG1 3.04Å; L39-T192 HydrophobicContact CB-CG2 3.84Å; K40-T192 HydrophobicContact CG-CG2 4.42Å; P137-T192 VanDerWaalsContact CB-OG1 3.27Å; P137-T192 WeakPolarHBondContact CB-OG1 3.43Å; P137-T192 WeakPolarHBondContact CG-OG1 3.46Å; S188-T192 WeakPolarHBondContact O-CB 3.39Å; S188-T192 PolarHBondContact O-N 3.5Å; S188-T192 PolarHBondContact O-OG1 2.9Å; V189-T192 CarbonylContact O-C 3.57Å; V189-T192 WeakPolarHBondContact O-CA 3.48Å; V189-T192 WeakPolarHBondContact O-CB 3.33Å; V189-T192 PolarHBondContact O-N 2.88Å; V189-T192 VanDerWaalsContact O-N 3.1Å; V190-T192 PolarHBondContact O-N 2.72Å; T192-F195 PolarHBondContact O-N 3.04Å; T192-L196 WeakPolarHBondContact O-CB 3.27Å; T192-L196 PolarHBondContact O-N 2.75Å
193A92.5Very high91.2Very high13 Ų1322 Ų2211%0.10711%0.109CC..Hα-helixtrans-61.5-47.5173.600000111.1I94 V189 V190 F195 L196 N197I94-A193 HydrophobicContact CG2-CB 4.03Å; V189-A193 PolarHBondContact O-N 3.49Å; V190-A193 WeakPolarHBondContact O-CB 3.08Å; V190-A193 PolarHBondContact O-N 2.79Å; V190-A193 VanDerWaalsContact O-N 3.07Å; A193-F195 PolarHBondContact O-N 3.02Å; A193-L196 WeakPolarHBondContact O-CB 3.39Å; A193-L196 PolarHBondContact O-N 3.46Å; A193-N197 PolarHBondContact O-N 2.97Å; A193-N197 PolarHBondContact O-OD1 3.35Å
194T91.2Very high90.7Very high32 Ų3225.2 Ų25.220%0.19612%0.124CC..Hα-helixtrans-59.6-44.3174-63.80000112.1V190 L196 N197 E198V190-T194 PolarHBondContact O-N 2.97Å; T194-L196 PolarHBondContact O-N 3.34Å; T194-N197 PolarHBondContact O-N 3.46Å; T194-E198 PolarHBondContact O-N 3.5Å
195F90Very high90.3Very high64 Ų6427.1 Ų27.128%0.28113%0.133SC..Hα-helixtrans-59-44.7175.5169.9-93.6000112.1K40 A43 A191 T192 A193 N197 E198 Q199K40-F195 HydrophobicContact CB-CE1 4.01Å; K40-F195 HydrophobicContact CD-CE1 4.2Å; K40-F195 HydrophobicContact CD-CZ 4.45Å; K40-F195 HydrophobicContact CG-CD1 3.99Å; K40-F195 HydrophobicContact CG-CE1 3.82Å; A43-F195 HydrophobicContact CB-CE1 4.38Å; A191-F195 WeakPolarHBondContact O-CB 3.08Å; A191-F195 PolarHBondContact O-N 3.48Å; T192-F195 PolarHBondContact O-N 3.04Å; A193-F195 PolarHBondContact O-N 3.02Å; F195-N197 VanDerWaalsContact C-N 3.35Å; F195-N197 PolarHBondContact O-N 2.88Å; F195-E198 PolarHBondContact O-N 3.47Å; F195-Q199 HydrophobicContact CD1-CG 4.27Å; F195-Q199 HydrophobicContact CD2-CG 4.46Å; F195-Q199 HydrophobicContact CE1-CG 3.81Å; F195-Q199 HydrophobicContact CE2-CG 4.04Å; F195-Q199 VanDerWaalsContact CE2-NE2 3.27Å; F195-Q199 HydrophobicContact CZ-CG 3.68Å; F195-Q199 WeakPolarHBondContact O-CG 3.06Å; F195-Q199 PolarHBondContact O-N 3.46Å
196L90.2Very high89.9Confident4 Ų429.5 Ų29.52%0.02115%0.153CC..Hα-helixtrans-60.2-45.2178.7-179.358.3000111.2A43 A46 I94 T192 A193 T194 E198 Q199 I200A43-L196 VanDerWaalsContact CA-CD1 3.41Å; A43-L196 HydrophobicContact CB-CD1 3.86Å; A46-L196 HydrophobicContact CB-CD1 3.83Å; I94-L196 HydrophobicContact CB-CD2 4.37Å; I94-L196 HydrophobicContact CG1-CD2 4.14Å; T192-L196 WeakPolarHBondContact O-CB 3.27Å; T192-L196 PolarHBondContact O-N 2.75Å; A193-L196 WeakPolarHBondContact O-CB 3.39Å; A193-L196 PolarHBondContact O-N 3.46Å; T194-L196 PolarHBondContact O-N 3.34Å; L196-E198 PolarHBondContact O-N 3.04Å; L196-Q199 PolarHBondContact O-N 3.28Å; L196-I200 HydrophobicContact CD1-CD1 4.46Å; L196-I200 HydrophobicContact CG-CD1 4.21Å; L196-I200 WeakPolarHBondContact O-CG1 3.24Å; L196-I200 PolarHBondContact O-N 3.21Å
197N88.3Confident89.4Confident41 Ų4133.9 Ų33.922%0.21918%0.176CC..Hα-helixtrans-62.5-44178.8-63.5-0.4000111.6A193 T194 F195 Q199 I200 R201 F410A193-N197 PolarHBondContact O-N 2.97Å; A193-N197 PolarHBondContact O-OD1 3.35Å; T194-N197 PolarHBondContact O-N 3.46Å; F195-N197 VanDerWaalsContact C-N 3.35Å; F195-N197 PolarHBondContact O-N 2.88Å; N197-Q199 VanDerWaalsContact C-N 3.34Å; N197-Q199 PolarHBondContact O-N 3.28Å; N197-I200 PolarHBondContact O-N 3.06Å; N197-R201 WeakPolarHBondContact O-CB 3.43Å; N197-R201 PolarHBondContact O-N 3.39Å; N197-F410 VanDerWaalsContact OD1-CD2 3.29Å; N197-F410 WeakPolarHBondContact OD1-CD2 3.42Å
198E86.6Confident89Confident50 Ų5036.6 Ų36.623%0.23419%0.188CC..Hα-helixtrans-64.3-36.1175.917760.5-171.400112T194 F195 L196 R201 I202T194-E198 PolarHBondContact O-N 3.5Å; F195-E198 PolarHBondContact O-N 3.47Å; L196-E198 PolarHBondContact O-N 3.04Å; E198-R201 PolarHBondContact O-N 2.99Å; E198-R201 IonicContact OE1-CZ 2.77Å; E198-R201 IonicContact OE1-NH2 3.88Å; E198-R201 PolarHBondContact OE1-NH2 3.16Å; E198-R201 IonicContact OE2-CZ 3.63Å; E198-R201 IonicContact OE2-NE 2.73Å; E198-R201 PolarHBondContact OE2-NE 3.49Å; E198-R201 IonicContact OE2-NH2 3.03Å; E198-R201 PolarHBondContact OE2-NH2 3.46Å; E198-I202 HydrophobicContact CG-CD1 3.88Å; E198-I202 HydrophobicContact CG-CG1 4.46Å; E198-I202 WeakPolarHBondContact O-CB 3.48Å; E198-I202 WeakPolarHBondContact O-CG1 3.48Å; E198-I202 PolarHBondContact O-N 3.23Å; E198-I202 WeakPolarHBondContact OE1-CD1 3.23Å
199Q85.6Confident88.8Confident69 Ų6936.8 Ų36.832%0.32219%0.19SC..Hα-helixtrans-67.9-41.6174.7-68.1-58.8-24.300112.9A43 F195 L196 N197 I202 S203A43-Q199 HydrophobicContact CB-CB 4.07Å; A43-Q199 HydrophobicContact CB-CG 4.17Å; F195-Q199 HydrophobicContact CD1-CG 4.27Å; F195-Q199 HydrophobicContact CD2-CG 4.46Å; F195-Q199 HydrophobicContact CE1-CG 3.81Å; F195-Q199 HydrophobicContact CE2-CG 4.04Å; F195-Q199 VanDerWaalsContact CE2-NE2 3.27Å; F195-Q199 HydrophobicContact CZ-CG 3.68Å; F195-Q199 WeakPolarHBondContact O-CG 3.06Å; F195-Q199 PolarHBondContact O-N 3.46Å; L196-Q199 PolarHBondContact O-N 3.28Å; N197-Q199 VanDerWaalsContact C-N 3.34Å; N197-Q199 PolarHBondContact O-N 3.28Å; Q199-I202 PolarHBondContact O-N 3.02Å; Q199-S203 WeakPolarHBondContact O-CB 3.46Å; Q199-S203 PolarHBondContact O-N 3.19Å
200I86.8Confident88.4Confident9 Ų938.7 Ų38.75%0.04621%0.205CC..Hα-helixtrans-58.4-51.9173.4-64.8162.6000109.2A46 I91 L196 N197 I202 S203 E204A46-I200 HydrophobicContact CB-CD1 3.76Å; A46-I200 HydrophobicContact CB-CG1 3.72Å; I91-I200 HydrophobicContact CG2-CD1 4.49Å; L196-I200 HydrophobicContact CD1-CD1 4.46Å; L196-I200 HydrophobicContact CG-CD1 4.21Å; L196-I200 WeakPolarHBondContact O-CG1 3.24Å; L196-I200 PolarHBondContact O-N 3.21Å; N197-I200 PolarHBondContact O-N 3.06Å; I200-I202 PolarHBondContact O-N 2.81Å; I200-S203 WeakPolarHBondContact O-CB 3.3Å; I200-S203 PolarHBondContact O-N 2.88Å; I200-S203 VanDerWaalsContact O-N 3.11Å; I200-E204 WeakPolarHBondContact O-CG 3.42Å; I200-E204 PolarHBondContact O-N 3.23Å
201R86.6Confident88Confident96 Ų9641.6 Ų41.636%0.36222%0.221SC..Hα-helixtrans-58.8-42.1179.7-164.3-16969.268.77.4112.8N197 E198 Q205N197-R201 WeakPolarHBondContact O-CB 3.43Å; N197-R201 PolarHBondContact O-N 3.39Å; E198-R201 PolarHBondContact O-N 2.99Å; E198-R201 IonicContact OE1-CZ 2.77Å; E198-R201 IonicContact OE1-NH2 3.88Å; E198-R201 PolarHBondContact OE1-NH2 3.16Å; E198-R201 IonicContact OE2-CZ 3.63Å; E198-R201 IonicContact OE2-NE 2.73Å; E198-R201 PolarHBondContact OE2-NE 3.49Å; E198-R201 IonicContact OE2-NH2 3.03Å; E198-R201 PolarHBondContact OE2-NH2 3.46Å; R201-Q205 WeakPolarHBondContact O-CB 3.44Å; R201-Q205 WeakPolarHBondContact O-CG 3.42Å; R201-Q205 PolarHBondContact O-N 3Å
202I84.8Confident87.7Confident46 Ų4641.6 Ų41.624%0.23622%0.22CC..Hα-helixtrans-64.7-43.3175.1-72.9167.8000111E198 Q199 I200 Q205 A206E198-I202 HydrophobicContact CG-CD1 3.88Å; E198-I202 HydrophobicContact CG-CG1 4.46Å; E198-I202 WeakPolarHBondContact O-CB 3.48Å; E198-I202 WeakPolarHBondContact O-CG1 3.48Å; E198-I202 PolarHBondContact O-N 3.23Å; E198-I202 WeakPolarHBondContact OE1-CD1 3.23Å; Q199-I202 PolarHBondContact O-N 3.02Å; I200-I202 PolarHBondContact O-N 2.81Å; I202-Q205 PolarHBondContact O-N 3.01Å; I202-A206 WeakPolarHBondContact O-CB 3.38Å; I202-A206 PolarHBondContact O-N 3.48Å
203S85.4Confident87.5Confident29 Ų2942.5 Ų42.520%0.20322%0.224CC..Hα-helixtrans-61-48.7178.2-174.30000111.4S47 Q199 I200 Q205 A206 N207S47-S203 PolarHBondContact O-OG 3.29Å; Q199-S203 WeakPolarHBondContact O-CB 3.46Å; Q199-S203 PolarHBondContact O-N 3.19Å; I200-S203 WeakPolarHBondContact O-CB 3.3Å; I200-S203 PolarHBondContact O-N 2.88Å; I200-S203 VanDerWaalsContact O-N 3.11Å; S203-Q205 PolarHBondContact O-N 3.14Å; S203-A206 WeakPolarHBondContact O-CB 3.47Å; S203-A206 PolarHBondContact O-N 3.23Å; S203-A206 VanDerWaalsContact O-N 3.16Å; S203-N207 PolarHBondContact O-N 3.45Å; S203-N207 PolarHBondContact O-ND2 2.69Å
204E84.9Confident87.1Confident68 Ų6845.6 Ų45.632%0.31825%0.245SC..Hα-helixtrans-59.5-44.9176.2-70.7178.3175.600112.1I200 A206 N207 K208I200-E204 WeakPolarHBondContact O-CG 3.42Å; I200-E204 PolarHBondContact O-N 3.23Å; E204-A206 VanDerWaalsContact C-N 3.33Å; E204-A206 PolarHBondContact O-N 2.85Å; E204-N207 PolarHBondContact O-N 3.45Å; E204-K208 WeakPolarHBondContact O-CG 3.33Å; E204-K208 PolarHBondContact O-N 2.91Å
205Q86.8Confident86.9Confident39 Ų3944.9 Ų44.918%0.18224%0.24CC..Hα-helixtrans-64.2-36175.7-76.1-173.4-24.700112.7R201 I202 S203 A209 L232R201-Q205 WeakPolarHBondContact O-CB 3.44Å; R201-Q205 WeakPolarHBondContact O-CG 3.42Å; R201-Q205 PolarHBondContact O-N 3Å; I202-Q205 PolarHBondContact O-N 3.01Å; S203-Q205 PolarHBondContact O-N 3.14Å; Q205-A209 WeakPolarHBondContact O-CB 3.34Å; Q205-A209 PolarHBondContact O-N 3.25Å; Q205-L232 PolarHBondContact NE2-O 2.92Å; Q205-L232 PolarHBondContact OE1-O 3.04Å; Q205-L232 VanDerWaalsContact OE1-O 3.12Å
206A86.1Confident86.6Confident51 Ų5142.2 Ų42.242%0.42123%0.228SC..Hα-helixtrans-67.3-41174.800000111.9I202 S203 E204 A209 A210I202-A206 WeakPolarHBondContact O-CB 3.38Å; I202-A206 PolarHBondContact O-N 3.48Å; S203-A206 WeakPolarHBondContact O-CB 3.47Å; S203-A206 PolarHBondContact O-N 3.23Å; S203-A206 VanDerWaalsContact O-N 3.16Å; E204-A206 VanDerWaalsContact C-N 3.33Å; E204-A206 PolarHBondContact O-N 2.85Å; A206-A209 WeakPolarHBondContact O-CB 3.31Å; A206-A209 PolarHBondContact O-N 2.9Å; A206-A210 WeakPolarHBondContact O-CB 3.12Å; A206-A210 PolarHBondContact O-N 2.77Å
207N86.2Confident86.1Confident92 Ų9245.5 Ų45.549%0.49224%0.242SC..Hα-helixtrans-63.3-46.6174.9-70.5-29.4000111.6S203 E204 A209 A210 L211S203-N207 PolarHBondContact O-N 3.45Å; S203-N207 PolarHBondContact O-ND2 2.69Å; E204-N207 PolarHBondContact O-N 3.45Å; N207-A209 VanDerWaalsContact C-N 3.33Å; N207-A209 PolarHBondContact O-N 3.05Å; N207-A210 PolarHBondContact O-N 3.42Å; N207-L211 PolarHBondContact O-N 3.3Å
208K87.9Confident85.2Confident57 Ų5745.4 Ų45.425%0.24825%0.251CS..Hα-helixtrans-62.6-37.9174.4-70-173.7178.3-130.90112E204 L211 L212 L232 Y235 D339E204-K208 WeakPolarHBondContact O-CG 3.33Å; E204-K208 PolarHBondContact O-N 2.91Å; K208-L211 PolarHBondContact O-N 2.92Å; K208-L212 VanDerWaalsContact O-CB 3.3Å; K208-L212 WeakPolarHBondContact O-CB 3.49Å; K208-L212 PolarHBondContact O-N 3.45Å; K208-L232 HydrophobicContact CB-CD2 3.95Å; K208-Y235 HydrophobicContact CD-CE1 3.95Å; K208-Y235 PolarHBondContact NZ-OH 3.29Å; K208-Y235 VanDerWaalsContact NZ-OH 3.12Å; K208-D339 IonicContact NZ-OD2 3.4Å; K208-D339 PolarHBondContact NZ-OD2 3.13Å
209A88.2Confident84Confident7 Ų750.8 Ų50.86%0.05827%0.273CS..Hα-helixtrans-64.3-39.7174.300000112.6Q205 A206 N207 L212 Q213 I225 L226 L232Q205-A209 WeakPolarHBondContact O-CB 3.34Å; Q205-A209 PolarHBondContact O-N 3.25Å; A206-A209 WeakPolarHBondContact O-CB 3.31Å; A206-A209 PolarHBondContact O-N 2.9Å; N207-A209 VanDerWaalsContact C-N 3.33Å; N207-A209 PolarHBondContact O-N 3.05Å; A209-L212 PolarHBondContact O-N 3.11Å; A209-Q213 VanDerWaalsContact O-CB 3.31Å; A209-Q213 WeakPolarHBondContact O-CB 3.5Å; A209-Q213 PolarHBondContact O-N 3.47Å; A209-I225 HydrophobicContact CB-CG2 3.71Å; A209-I225 WeakPolarHBondContact O-CG2 3.36Å; A209-L226 HydrophobicContact CB-CD2 4.45Å; A209-L232 HydrophobicContact CB-CB 4.06Å; A209-L232 HydrophobicContact CB-CD2 4.2Å
210A86.8Confident82.8Confident40 Ų4051.7 Ų51.733%0.33127%0.274SS..Hα-helixtrans-68.7-39.9175.900000112.6A206 N207 Q213 S214 L226A206-A210 WeakPolarHBondContact O-CB 3.12Å; A206-A210 PolarHBondContact O-N 2.77Å; N207-A210 PolarHBondContact O-N 3.42Å; A210-Q213 WeakPolarHBondContact O-CB 3.42Å; A210-Q213 PolarHBondContact O-N 3.23Å; A210-S214 PolarHBondContact O-N 2.95Å; A210-S214 VanDerWaalsContact O-N 3.13Å; A210-L226 HydrophobicContact CB-CD1 4.13Å; A210-L226 HydrophobicContact CB-CD2 4.16Å
211L87.1Confident82.1Confident65 Ų6551.4 Ų51.434%0.3427%0.273SS..Hα-helixtrans-62.9-45.8172.7179.557.1000111.3N207 K208 Q213 S214 K215 L341N207-L211 PolarHBondContact O-N 3.3Å; K208-L211 PolarHBondContact O-N 2.92Å; L211-Q213 VanDerWaalsContact C-N 3.3Å; L211-Q213 PolarHBondContact O-N 3.15Å; L211-S214 PolarHBondContact O-N 3.15Å; L211-S214 PolarHBondContact O-OG 3.39Å; L211-K215 HydrophobicContact CD1-CG 4.48Å; L211-K215 VanDerWaalsContact O-CG 3.24Å; L211-K215 WeakPolarHBondContact O-CG 3.39Å; L211-K215 PolarHBondContact O-N 3.24Å; L211-L341 HydrophobicContact CD2-CB 3.68Å; L211-L341 HydrophobicContact CG-CB 4.13Å
212L88.1Confident81.1Confident0 Ų053 Ų530%028%0.284CS..Hα-helixtrans-62.3-37.8175.4174.658.8000112.3K208 A209 S214 K215 L216 I225 L252 V254 L341K208-L212 VanDerWaalsContact O-CB 3.3Å; K208-L212 WeakPolarHBondContact O-CB 3.49Å; K208-L212 PolarHBondContact O-N 3.45Å; A209-L212 PolarHBondContact O-N 3.11Å; L212-S214 VanDerWaalsContact C-N 3.32Å; L212-S214 PolarHBondContact O-N 3.25Å; L212-K215 PolarHBondContact O-N 3.36Å; L212-L216 HydrophobicContact CD1-CD1 4.06Å; L212-L216 HydrophobicContact CD1-CG 4.14Å; L212-L216 HydrophobicContact CG-CD1 4.03Å; L212-L216 WeakPolarHBondContact O-CG 3.43Å; L212-L216 PolarHBondContact O-N 3.45Å; L212-I225 HydrophobicContact CB-CD1 4.26Å; L212-I225 HydrophobicContact CD2-CD1 3.56Å; L212-I225 HydrophobicContact CG-CD1 3.53Å; L212-L252 HydrophobicContact CD1-CD2 3.54Å; L212-V254 HydrophobicContact CD2-CB 4.33Å; L212-V254 HydrophobicContact CD2-CG1 3.58Å; L212-V254 HydrophobicContact CD2-CG2 3.78Å; L212-L341 HydrophobicContact CD1-CD2 4.19Å
213Q87.4Confident80.4Confident20 Ų2054.4 Ų54.49%0.09329%0.292CS..Hα-helixtrans-60.4-38.1174.8178.660.389.700112.3A209 A210 L211 K215 S221 I225 L226A209-Q213 VanDerWaalsContact O-CB 3.31Å; A209-Q213 WeakPolarHBondContact O-CB 3.5Å; A209-Q213 PolarHBondContact O-N 3.47Å; A210-Q213 WeakPolarHBondContact O-CB 3.42Å; A210-Q213 PolarHBondContact O-N 3.23Å; L211-Q213 VanDerWaalsContact C-N 3.3Å; L211-Q213 PolarHBondContact O-N 3.15Å; Q213-K215 VanDerWaalsContact C-N 3.34Å; Q213-S221 PolarHBondContact NE2-O 3.07Å; Q213-I225 HydrophobicContact CB-CB 4.23Å; Q213-L226 HydrophobicContact CB-CD1 4.23Å; Q213-L226 HydrophobicContact CB-CG 4.14Å; Q213-L226 HydrophobicContact CG-CD1 3.96Å; Q213-L226 HydrophobicContact CG-CG 4Å
214S84.9Confident80.2Confident78 Ų7853.4 Ų53.455%0.54528%0.284SS..Hα-helixtrans-75.2-22.717772.30000113.4A210 L211 L212A210-S214 PolarHBondContact O-N 2.95Å; A210-S214 VanDerWaalsContact O-N 3.13Å; L211-S214 PolarHBondContact O-N 3.15Å; L211-S214 PolarHBondContact O-OG 3.39Å; L212-S214 VanDerWaalsContact C-N 3.32Å; L212-S214 PolarHBondContact O-N 3.25Å
215K85.7Confident80.1Confident18 Ų1850.3 Ų50.38%0.07827%0.27CS..Hα-helixtrans-87-10.6178.5-62-83.8177.9170.60114L211 L212 Q213 F217 L341 D343 V346 F348L211-K215 HydrophobicContact CD1-CG 4.48Å; L211-K215 VanDerWaalsContact O-CG 3.24Å; L211-K215 WeakPolarHBondContact O-CG 3.39Å; L211-K215 PolarHBondContact O-N 3.24Å; L212-K215 PolarHBondContact O-N 3.36Å; Q213-K215 VanDerWaalsContact C-N 3.34Å; K215-F217 WeakPolarHBondContact O-CD2 3.48Å; K215-L341 WeakPolarHBondContact CE-O 3.26Å; K215-D343 PolarHBondContact NZ-O 3.31Å; K215-V346 VanDerWaalsContact CD-O 3.31Å; K215-V346 WeakPolarHBondContact CD-O 3.41Å; K215-F348 HydrophobicContact CB-CD2 4.05Å; K215-F348 HydrophobicContact CB-CE2 4.39Å; K215-F348 PolarHBondContact O-N 2.81Å
216L85.1Confident79.9Confident7 Ų752.8 Ų52.84%0.03728%0.284CS..BIsolated β-bridgetrans-92.7112.1-179-79.2164.2000112.4L212 S221 I225 A263 F348 V351L212-L216 HydrophobicContact CD1-CD1 4.06Å; L212-L216 HydrophobicContact CD1-CG 4.14Å; L212-L216 HydrophobicContact CG-CD1 4.03Å; L212-L216 WeakPolarHBondContact O-CG 3.43Å; L212-L216 PolarHBondContact O-N 3.45Å; L216-S221 VanDerWaalsContact O-CB 3.27Å; L216-S221 WeakPolarHBondContact O-CB 3.29Å; L216-S221 PolarHBondContact O-OG 2.99Å; L216-I225 HydrophobicContact CD1-CD1 3.43Å; L216-I225 VanDerWaalsContact CD1-CD1 3.43Å; L216-I225 HydrophobicContact CD1-CG1 4.22Å; L216-A263 HydrophobicContact CD2-CB 4.04Å; L216-F348 HydrophobicContact CD2-CB 3.74Å; L216-F348 HydrophobicContact CG-CB 4.5Å; L216-V351 HydrophobicContact CD2-CG1 4.4Å; L216-V351 HydrophobicContact CD2-CG2 3.72Å
217F79.1Confident79.6Confident74 Ų7452.6 Ų52.633%0.32528%0.278SS..  trans-102.1126.2179.2-68.1-97.8000112.5K215 L271 F275 C347 F348K215-F217 WeakPolarHBondContact O-CD2 3.48Å; F217-L271 HydrophobicContact CB-CD2 4.31Å; F217-L271 HydrophobicContact CD2-CD1 4.05Å; F217-L271 HydrophobicContact CE2-CD1 4.42Å; F217-L271 HydrophobicContact CG-CD1 4.25Å; F217-F275 HydrophobicContact CD1-CE2 4.19Å; F217-F275 HydrophobicContact CD1-CZ 4.25Å; F217-C347 HydrophobicContact CD2-CB 3.8Å; F217-C347 HydrophobicContact CE2-CB 3.67Å; F217-C347 WeakPolarHBondContact CE2-SG 3.31Å; F217-F348 PolarHBondContact N-O 3.39Å
218G69.4Low79.1Confident38 Ų3853.1 Ų53.139%0.39229%0.286SS..SBendtrans178.6164.2171.300000110.3W220 S221G218-W220 PolarHBondContact O-N 2.84Å; G218-S221 PolarHBondContact N-OG 3.13Å; G218-S221 VanDerWaalsContact N-OG 3.07Å; G218-S221 PolarHBondContact O-N 3.34Å; G218-S221 PolarHBondContact O-OG 3.43Å
219K61.2Low78.6Confident163 Ų16353 Ų5371%0.70930%0.3SS*.THydrogen-bonded Turntrans-60.8-14.4173.6-70.9-171.1172.4-168.80113.8
220W61.3Low78.5Confident88 Ų8855 Ų5533%0.33331%0.306SS..THydrogen-bonded Turntrans-131.318-166.9-47.9124.8000111.5G218 F504 I505 E508 Q509G218-W220 PolarHBondContact O-N 2.84Å; W220-F504 HydrophobicContact CB-CD1 4.22Å; W220-F504 HydrophobicContact CB-CE1 3.8Å; W220-F504 WeakPolarHBondContact O-CE1 3.33Å; W220-F504 WeakPolarHBondContact O-CZ 3.49Å; W220-I505 HydrophobicContact CD2-CG1 3.84Å; W220-I505 HydrophobicContact CE3-CG1 4.19Å; W220-I505 HydrophobicContact CG-CG1 4.32Å; W220-I505 HydrophobicContact CH2-CB 4.14Å; W220-I505 HydrophobicContact CH2-CG1 4.21Å; W220-I505 HydrophobicContact CH2-CG2 3.63Å; W220-I505 HydrophobicContact CZ2-CB 4.21Å; W220-I505 HydrophobicContact CZ2-CG1 3.84Å; W220-I505 HydrophobicContact CZ2-CG2 3.73Å; W220-I505 HydrophobicContact CZ3-CB 4.29Å; W220-I505 HydrophobicContact CZ3-CG1 4.37Å; W220-I505 HydrophobicContact CZ3-CG2 4.23Å; W220-I505 WeakPolarHBondContact CZ3-O 3.24Å; W220-E508 HydrophobicContact CE3-CB 3.65Å; W220-E508 HydrophobicContact CE3-CG 4.22Å; W220-E508 HydrophobicContact CZ3-CB 3.7Å; W220-Q509 HydrophobicContact CH2-CG 3.82Å; W220-Q509 HydrophobicContact CZ3-CG 4.13Å
221S71.3Confident78.5Confident3 Ų357.8 Ų57.82%0.02131%0.311CS..  trans-96.5-21.6-179.259.10000113.6Q213 L216 G218 N223 L224Q213-S221 PolarHBondContact NE2-O 3.07Å; L216-S221 VanDerWaalsContact O-CB 3.27Å; L216-S221 WeakPolarHBondContact O-CB 3.29Å; L216-S221 PolarHBondContact O-OG 2.99Å; G218-S221 PolarHBondContact N-OG 3.13Å; G218-S221 VanDerWaalsContact N-OG 3.07Å; G218-S221 PolarHBondContact O-N 3.34Å; G218-S221 PolarHBondContact O-OG 3.43Å; S221-N223 VanDerWaalsContact C-N 3.3Å; S221-N223 PolarHBondContact O-N 3.32Å; S221-N223 VanDerWaalsContact O-N 3.1Å; S221-L224 VanDerWaalsContact O-CB 3.29Å; S221-L224 WeakPolarHBondContact O-CB 3.35Å; S221-L224 PolarHBondContact O-N 3.16Å
222H64.8Low78.7Confident131 Ų13155 Ų5561%0.60630%0.297SS*.THydrogen-bonded Turntrans-56.1-35.8-163-68.8-69000115.2
223N71.6Confident78.9Confident75 Ų7558.6 Ų58.640%0.40132%0.315SS..THydrogen-bonded Turntrans-119.228.5176.6-57.8-66.6000113S221 V227 E508S221-N223 VanDerWaalsContact C-N 3.3Å; S221-N223 PolarHBondContact O-N 3.32Å; S221-N223 VanDerWaalsContact O-N 3.1Å; N223-V227 WeakPolarHBondContact O-CG2 3.49Å; N223-E508 PolarHBondContact ND2-OE1 3.12Å
224L80.1Confident79.1Confident8 Ų859.3 Ų59.34%0.04232%0.318CS..SBendtrans-76.6-34.5-171.7-179.459.4000113.8S221 R230 I259 I261 V351 V353S221-L224 VanDerWaalsContact O-CB 3.29Å; S221-L224 WeakPolarHBondContact O-CB 3.35Å; S221-L224 PolarHBondContact O-N 3.16Å; L224-R230 PolarHBondContact O-NH1 2.85Å; L224-I259 HydrophobicContact CD1-CD1 3.97Å; L224-I261 HydrophobicContact CD2-CD1 3.98Å; L224-I261 HydrophobicContact CD2-CG2 4.44Å; L224-I261 HydrophobicContact CG-CD1 4.07Å; L224-V351 HydrophobicContact CD2-CG1 3.73Å; L224-V353 HydrophobicContact CD1-CG1 4.29Å; L224-V353 HydrophobicContact CD1-CG2 3.86Å; L224-V353 HydrophobicContact CD2-CG2 3.83Å; L224-V353 HydrophobicContact CG-CG2 4.48Å
225I83.9Confident79.5Confident2 Ų257.8 Ų57.81%0.0130%0.301CS..SBendtrans-105.2-47.7-173.5-70.5-175.5000111.8A209 L212 Q213 L216 V227 R230 M256 I261A209-I225 HydrophobicContact CB-CG2 3.71Å; A209-I225 WeakPolarHBondContact O-CG2 3.36Å; L212-I225 HydrophobicContact CB-CD1 4.26Å; L212-I225 HydrophobicContact CD2-CD1 3.56Å; L212-I225 HydrophobicContact CG-CD1 3.53Å; Q213-I225 HydrophobicContact CB-CB 4.23Å; L216-I225 HydrophobicContact CD1-CD1 3.43Å; L216-I225 VanDerWaalsContact CD1-CD1 3.43Å; L216-I225 HydrophobicContact CD1-CG1 4.22Å; I225-V227 VanDerWaalsContact C-N 3.29Å; I225-V227 PolarHBondContact O-N 2.81Å; I225-R230 WeakPolarHBondContact O-CD 3.43Å; I225-M256 HydrophobicContact CG2-CE 3.8Å; I225-I261 HydrophobicContact CD1-CD1 4.21Å; I225-I261 HydrophobicContact CG1-CD1 3.94Å
226L82.5Confident79.8Confident91 Ų9157.4 Ų57.448%0.47630%0.302SS..  trans-81.370.3-173.8-62.5179.9000112A209 A210 Q213A209-L226 HydrophobicContact CB-CD2 4.45Å; A210-L226 HydrophobicContact CB-CD1 4.13Å; A210-L226 HydrophobicContact CB-CD2 4.16Å; Q213-L226 HydrophobicContact CB-CD1 4.23Å; Q213-L226 HydrophobicContact CB-CG 4.14Å; Q213-L226 HydrophobicContact CG-CD1 3.96Å; Q213-L226 HydrophobicContact CG-CG 4Å
227V80.2Confident80.2Confident48 Ų4858.7 Ų58.729%0.29131%0.309SS..  trans-121.7134.8-178.8179.60000111.1N223 I225 G229 R230N223-V227 WeakPolarHBondContact O-CG2 3.49Å; I225-V227 VanDerWaalsContact C-N 3.29Å; I225-V227 PolarHBondContact O-N 2.81Å; V227-G229 PolarHBondContact O-N 2.75Å; V227-R230 HydrophobicContact CB-CB 4.41Å; V227-R230 WeakPolarHBondContact O-CB 3.37Å; V227-R230 PolarHBondContact O-N 3.15Å
228P75.6Confident80.8Confident102 Ų10255.4 Ų55.466%0.66230%0.295SS*.THydrogen-bonded Turntrans-57.5110.3-176.2-28.835.9000114.8K563P228-K563 PolarHBondContact O-NZ 3.09Å; P228-K563 VanDerWaalsContact O-NZ 3.08Å
229G76Confident81.9Confident54 Ų5459.3 Ų59.356%0.55730%0.301SS*.THydrogen-bonded Turntrans101.63.4-179.300000115.2V227V227-G229 PolarHBondContact O-N 2.75Å
230R86.2Confident83.3Confident49 Ų4953.2 Ų53.219%0.18528%0.275CS..  trans-93.5124.5169.9-180169.5-67.1137.211.1109.3L224 I225 V227 M256 S257 D258L224-R230 PolarHBondContact O-NH1 2.85Å; I225-R230 WeakPolarHBondContact O-CD 3.43Å; V227-R230 HydrophobicContact CB-CB 4.41Å; V227-R230 WeakPolarHBondContact O-CB 3.37Å; V227-R230 PolarHBondContact O-N 3.15Å; R230-M256 HydrophobicContact CG-CB 4.04Å; R230-M256 HydrophobicContact CG-CE 3.59Å; R230-M256 HydrophobicContact CG-CG 4.42Å; R230-S257 WeakPolarHBondContact CA-OG 3.28Å; R230-D258 WeakPolarHBondContact CG-OD1 3.36Å; R230-D258 IonicContact CZ-OD1 2.72Å; R230-D258 IonicContact CZ-OD2 3.88Å; R230-D258 IonicContact NE-OD1 3.16Å; R230-D258 PolarHBondContact NE-OD1 2.96Å; R230-D258 IonicContact NE-OD2 3.86Å; R230-D258 PolarHBondContact NE-OD2 2.94Å; R230-D258 IonicContact NH2-OD1 3.88Å; R230-D258 IonicContact NH2-OD2 3.73Å; R230-D258 PolarHBondContact NH2-OD2 3.36Å
231K88.2Confident84.7Confident99 Ų9950.7 Ų50.743%0.4327%0.269SS..  trans-113.6143.8175.6-63.5-171.8175.6-1700110.2M256 S257K231-M256 CarbonylContact O-C 3.6Å; K231-M256 VanDerWaalsContact O-CA 3.26Å; K231-M256 WeakPolarHBondContact O-CA 3.29Å; K231-S257 PolarHBondContact N-OG 3.44Å; K231-S257 PolarHBondContact O-N 3.37Å
232L91.3Very high85.3Confident7 Ų752.3 Ų52.34%0.03728%0.277CS..EExtended strand (participates in β ladder)trans-77.5125.3169.9174.462.7000108.7Q205 K208 A209 Y235 V254 M256Q205-L232 PolarHBondContact NE2-O 2.92Å; Q205-L232 PolarHBondContact OE1-O 3.04Å; Q205-L232 VanDerWaalsContact OE1-O 3.12Å; K208-L232 HydrophobicContact CB-CD2 3.95Å; A209-L232 HydrophobicContact CB-CB 4.06Å; A209-L232 HydrophobicContact CB-CD2 4.2Å; L232-Y235 HydrophobicContact CD1-CD1 4.33Å; L232-Y235 HydrophobicContact CD2-CD1 3.97Å; L232-Y235 HydrophobicContact CD2-CE1 4.36Å; L232-Y235 HydrophobicContact CG-CD1 4.47Å; L232-V254 HydrophobicContact CD1-CG1 3.52Å; L232-M256 HydrophobicContact CB-CE 4.01Å; L232-M256 HydrophobicContact CB-SD 4.19Å; L232-M256 HydrophobicContact CD1-SD 3.67Å
233L90.9Very high85.9Confident75 Ų7550.8 Ų50.839%0.39328%0.281SS..EExtended strand (participates in β ladder)trans-100.5-49.9178.5-58.1-177.3000111.3I255 A478L233-I255 WeakPolarHBondContact CA-O 3.39Å; L233-I255 HydrophobicContact CB-CB 4.4Å; L233-I255 HydrophobicContact CB-CG2 4.22Å; L233-I255 WeakPolarHBondContact CB-O 3.32Å; L233-I255 HydrophobicContact CD1-CG2 4.17Å; L233-I255 PolarHBondContact N-O 2.89Å; L233-A478 HydrophobicContact CD1-CB 3.64Å
234K92.8Very high86.2Confident36 Ų3654.4 Ų54.416%0.15730%0.3CS..EExtended strand (participates in β ladder)trans-154.6150.9-179.4-172.8169.9-178.11720111V254 I255 D470 W471 S474K234-V254 CarbonylContact O-C 3.56Å; K234-I255 HydrophobicContact CB-CB 4.31Å; K234-I255 HydrophobicContact CB-CD1 4.13Å; K234-I255 HydrophobicContact CB-CG1 4.36Å; K234-I255 HydrophobicContact CD-CD1 4.47Å; K234-I255 PolarHBondContact N-O 3.39Å; K234-I255 PolarHBondContact O-N 2.96Å; K234-D470 VanDerWaalsContact NZ-C 3.35Å; K234-D470 PolarHBondContact NZ-O 3.09Å; K234-D470 IonicContact NZ-OD1 2.81Å; K234-D470 PolarHBondContact NZ-OD1 3.37Å; K234-D470 IonicContact NZ-OD2 3.16Å; K234-D470 PolarHBondContact NZ-OD2 2.71Å; K234-W471 HydrophobicContact CB-CZ3 4.44Å; K234-W471 HydrophobicContact CD-CD2 4.43Å; K234-W471 HydrophobicContact CD-CE3 3.86Å; K234-W471 HydrophobicContact CD-CH2 4.29Å; K234-W471 HydrophobicContact CD-CZ3 3.77Å; K234-W471 HydrophobicContact CG-CE3 4.39Å; K234-W471 HydrophobicContact CG-CH2 4.02Å; K234-W471 HydrophobicContact CG-CZ3 3.79Å; K234-S474 VanDerWaalsContact CD-OG 3.24Å; K234-S474 WeakPolarHBondContact CD-OG 3.34Å; K234-S474 PolarHBondContact NZ-OG 2.87Å
235Y92.8Very high86.1Confident45 Ų4559 Ų5918%0.17633%0.325CS..EExtended strand (participates in β ladder)trans-147.4157.7171.168.8-80.4000110.5K208 L232 L253 D339 F340 L341K208-Y235 HydrophobicContact CD-CE1 3.95Å; K208-Y235 PolarHBondContact NZ-OH 3.29Å; K208-Y235 VanDerWaalsContact NZ-OH 3.12Å; L232-Y235 HydrophobicContact CD1-CD1 4.33Å; L232-Y235 HydrophobicContact CD2-CD1 3.97Å; L232-Y235 HydrophobicContact CD2-CE1 4.36Å; L232-Y235 HydrophobicContact CG-CD1 4.47Å; Y235-L253 CarbonylContact C-O 3.55Å; Y235-L253 VanDerWaalsContact CA-O 3.26Å; Y235-L253 WeakPolarHBondContact CA-O 3.35Å; Y235-D339 VanDerWaalsContact OH-CG 3.3Å; Y235-D339 PolarHBondContact OH-OD1 2.8Å; Y235-D339 PolarHBondContact OH-OD2 3.2Å; Y235-F340 HydrophobicContact CD2-CE1 4.35Å; Y235-F340 HydrophobicContact CD2-CE2 4.41Å; Y235-F340 AromaticContact CD2-CZ 3.71Å; Y235-F340 HydrophobicContact CD2-CZ 3.71Å; Y235-F340 HydrophobicContact CE2-CE1 4.28Å; Y235-F340 AromaticContact CE2-CZ 3.93Å; Y235-F340 HydrophobicContact CE2-CZ 3.93Å; Y235-L341 HydrophobicContact CD2-CD1 4.06Å; Y235-L341 HydrophobicContact CD2-CG 4.47Å; Y235-L341 HydrophobicContact CE1-CD1 4.46Å; Y235-L341 HydrophobicContact CE2-CD1 3.41Å; Y235-L341 VanDerWaalsContact CE2-CD1 3.41Å; Y235-L341 HydrophobicContact CE2-CG 3.85Å
236G92.5Very high85.9Confident10 Ų1061.5 Ų61.510%0.10335%0.351CS..EExtended strand (participates in β ladder)trans171.6170.1177.500000113L253G236-L253 PolarHBondContact N-O 3.11Å; G236-L253 PolarHBondContact O-N 2.91Å
237L92.2Very high86.1Confident34 Ų3462.6 Ų62.618%0.17836%0.357CS..EExtended strand (participates in β ladder)trans-86.2134.8174.8-61.7178.2000109.7T250 R251 L252 F340 F348L237-T250 HydrophobicContact CB-CG2 4.08Å; L237-T250 HydrophobicContact CD1-CG2 4.38Å; L237-T250 HydrophobicContact CD2-CG2 4.25Å; L237-T250 HydrophobicContact CG-CG2 4.47Å; L237-R251 CarbonylContact C-O 3.59Å; L237-R251 WeakPolarHBondContact CA-O 3.27Å; L237-L252 HydrophobicContact CD2-CB 4.31Å; L237-L252 HydrophobicContact CD2-CD1 4.45Å; L237-F340 HydrophobicContact CD1-CD1 4.29Å; L237-F340 HydrophobicContact CD1-CG 4.44Å; L237-F340 HydrophobicContact CD2-CE2 4.45Å; L237-F340 HydrophobicContact CD2-CZ 4.38Å; L237-F340 HydrophobicContact CG-CD1 4.19Å; L237-F340 HydrophobicContact CG-CE1 4Å; L237-F340 HydrophobicContact CG-CZ 4.2Å; L237-F348 HydrophobicContact CD2-CE1 4.19Å
238V92.5Very high86.4Confident6 Ų662.9 Ų62.94%0.03636%0.364CS..EExtended strand (participates in β ladder)trans-134.2153.6178.6-580000109.8T250 R251 L253 I460 W471V238-T250 CarbonylContact O-C 3.55Å; V238-T250 WeakPolarHBondContact O-CA 3.45Å; V238-R251 HydrophobicContact CG2-CB 4.31Å; V238-R251 PolarHBondContact N-O 2.9Å; V238-R251 PolarHBondContact O-N 3.01Å; V238-L253 HydrophobicContact CG1-CB 4.09Å; V238-L253 HydrophobicContact CG1-CD2 4.31Å; V238-L253 HydrophobicContact CG2-CB 3.88Å; V238-I460 HydrophobicContact CB-CD1 4.48Å; V238-I460 HydrophobicContact CB-CG2 3.94Å; V238-I460 HydrophobicContact CG2-CD1 4.05Å; V238-I460 HydrophobicContact CG2-CG1 4.19Å; V238-I460 HydrophobicContact CG2-CG2 4.43Å; V238-W471 HydrophobicContact CG1-CD2 4.41Å; V238-W471 HydrophobicContact CG1-CH2 4.48Å; V238-W471 HydrophobicContact CG1-CZ2 3.77Å
239K91.9Very high87Confident119 Ų11960.6 Ų60.652%0.51734%0.344SS..EExtended strand (participates in β ladder)trans-91.4108.6174-56.1179.1-178.3175.90109.4A248 I460 V461K239-A248 HydrophobicContact CB-CB 4.19Å; K239-I460 WeakPolarHBondContact O-CA 3.4Å; K239-V461 WeakPolarHBondContact CB-O 3.4Å; K239-V461 PolarHBondContact O-N 3.45Å
240K91.6Very high87.7Confident35 Ų3561.2 Ų61.215%0.15234%0.338CS..EExtended strand (participates in β ladder)trans-93.5126.6176170.4172.1168.6159.80110N242 E249 R251 F458 T459K240-N242 PolarHBondContact O-N 3.05Å; K240-E249 PolarHBondContact N-O 2.82Å; K240-E249 PolarHBondContact O-N 3.5Å; K240-R251 HydrophobicContact CB-CB 4.32Å; K240-R251 HydrophobicContact CB-CG 3.61Å; K240-R251 HydrophobicContact CD-CG 4.16Å; K240-R251 HydrophobicContact CG-CG 4.42Å; K240-F458 HydrophobicContact CD-CB 3.86Å; K240-F458 HydrophobicContact CD-CD2 4Å; K240-F458 HydrophobicContact CD-CG 4.15Å; K240-F458 HydrophobicContact CG-CB 4.28Å; K240-F458 HydrophobicContact CG-CD2 4.44Å; K240-F458 VanDerWaalsContact NZ-CB 3.26Å; K240-T459 WeakPolarHBondContact CA-O 3.44Å
241V90.4Very high88Confident35 Ų3560.6 Ų60.621%0.21234%0.335CS..EExtended strand (participates in β ladder)trans-65.4127.3171-173.60000109.6T459 V461V241-T459 HydrophobicContact CG2-CG2 4.22Å; V241-T459 PolarHBondContact N-O 3.22Å; V241-V461 HydrophobicContact CG2-CG2 3.42Å; V241-V461 VanDerWaalsContact CG2-CG2 3.42Å
242N83.5Confident88.2Confident37 Ų3755.9 Ų55.920%0.19831%0.314CS..PPolyproline II helixtrans-75.8121.8169.3-173.210.7000109.6K240 L244 D245 G246 L247K240-N242 PolarHBondContact O-N 3.05Å; N242-L244 PolarHBondContact O-N 3.42Å; N242-L244 VanDerWaalsContact O-N 3.15Å; N242-L244 PolarHBondContact OD1-N 3.43Å; N242-D245 PolarHBondContact ND2-OD2 2.89Å; N242-D245 PolarHBondContact O-N 3.44Å; N242-G246 WeakPolarHBondContact O-CA 3.35Å; N242-G246 PolarHBondContact O-N 2.71Å; N242-L247 WeakPolarHBondContact CB-O 3.5Å; N242-L247 PolarHBondContact N-O 3.12Å
243S77.4Confident88.4Confident99 Ų9955.5 Ų55.569%0.69231%0.313SS*.THydrogen-bonded Turntrans-62.7-19.4-179.8-49.60000114.2
244L77.1Confident88.5Confident151 Ų15152 Ų5279%0.79129%0.294SS*.THydrogen-bonded Turntrans-86.9-46.3179.6-63174.6000112.7N242N242-L244 PolarHBondContact O-N 3.42Å; N242-L244 VanDerWaalsContact O-N 3.15Å; N242-L244 PolarHBondContact OD1-N 3.43Å
245D78.4Confident88.6Confident105 Ų10550.3 Ų50.356%0.56129%0.287SS*.THydrogen-bonded Turntrans-106.4-8.8-169.8-48.8-43.9000113.4N242 L247N242-D245 PolarHBondContact ND2-OD2 2.89Å; N242-D245 PolarHBondContact O-N 3.44Å; D245-L247 HydrophobicContact CB-CB 4.31Å; D245-L247 HydrophobicContact CB-CD1 4.09Å; D245-L247 HydrophobicContact CB-CG 4.05Å; D245-L247 PolarHBondContact O-N 2.93Å
246G80.4Confident88.6Confident54 Ų5448.2 Ų48.256%0.55728%0.279SS*.  trans69.1-7.9-17000000114.7N242N242-G246 WeakPolarHBondContact O-CA 3.35Å; N242-G246 PolarHBondContact O-N 2.71Å
247L85.5Confident88.5Confident115 Ų11549.3 Ų49.360%0.60229%0.285SS*.  trans-71.9132.7-177.5-65.3173.7000112N242 D245 E249N242-L247 WeakPolarHBondContact CB-O 3.5Å; N242-L247 PolarHBondContact N-O 3.12Å; D245-L247 HydrophobicContact CB-CB 4.31Å; D245-L247 HydrophobicContact CB-CD1 4.09Å; D245-L247 HydrophobicContact CB-CG 4.05Å; D245-L247 PolarHBondContact O-N 2.93Å; L247-E249 PolarHBondContact O-N 3.1Å
248A87.5Confident88.3Confident54 Ų5449.5 Ų49.545%0.44629%0.286SS..EExtended strand (participates in β ladder)trans-80.5108.3175.300000110.7K239K239-A248 HydrophobicContact CB-CB 4.19Å
249E88.4Confident88.2Confident54 Ų5449.5 Ų49.525%0.25229%0.286SS..EExtended strand (participates in β ladder)trans-102.9139.7176.9-66-168.5-157.600112.2K240 L247 R251 K264K240-E249 PolarHBondContact N-O 2.82Å; K240-E249 PolarHBondContact O-N 3.5Å; L247-E249 PolarHBondContact O-N 3.1Å; E249-R251 VanDerWaalsContact CB-NH1 3.26Å; E249-R251 PolarHBondContact O-N 3.46Å; E249-R251 IonicContact OE1-NH2 3.52Å; E249-R251 IonicContact OE2-CZ 2.75Å; E249-R251 IonicContact OE2-NH1 3.42Å; E249-R251 PolarHBondContact OE2-NH1 2.88Å; E249-R251 IonicContact OE2-NH2 3.56Å; E249-R251 PolarHBondContact OE2-NH2 3.26Å; E249-K264 IonicContact OE1-NZ 3.29Å; E249-K264 WeakPolarHBondContact OE2-CE 3.45Å; E249-K264 IonicContact OE2-NZ 2.71Å; E249-K264 PolarHBondContact OE2-NZ 3.32Å
250T91Very high88.3Confident67 Ų6743.9 Ų43.941%0.41126%0.261SS..EExtended strand (participates in β ladder)trans-59.4135172.8-46.60000111.9L237 V238 P265L237-T250 HydrophobicContact CB-CG2 4.08Å; L237-T250 HydrophobicContact CD1-CG2 4.38Å; L237-T250 HydrophobicContact CD2-CG2 4.25Å; L237-T250 HydrophobicContact CG-CG2 4.47Å; V238-T250 CarbonylContact O-C 3.55Å; V238-T250 WeakPolarHBondContact O-CA 3.45Å; T250-P265 HydrophobicContact CG2-CG 4.35Å; T250-P265 WeakPolarHBondContact O-CD 3.34Å
251R91.9Very high88.3Confident35 Ų3542.2 Ų42.213%0.13225%0.254CS..EExtended strand (participates in β ladder)trans-137.3146.5175-67.4-65.4179.8-89.2-3109.7L237 V238 K240 E249 A263L237-R251 CarbonylContact C-O 3.59Å; L237-R251 WeakPolarHBondContact CA-O 3.27Å; V238-R251 HydrophobicContact CG2-CB 4.31Å; V238-R251 PolarHBondContact N-O 2.9Å; V238-R251 PolarHBondContact O-N 3.01Å; K240-R251 HydrophobicContact CB-CB 4.32Å; K240-R251 HydrophobicContact CB-CG 3.61Å; K240-R251 HydrophobicContact CD-CG 4.16Å; K240-R251 HydrophobicContact CG-CG 4.42Å; E249-R251 VanDerWaalsContact CB-NH1 3.26Å; E249-R251 PolarHBondContact O-N 3.46Å; E249-R251 IonicContact OE1-NH2 3.52Å; E249-R251 IonicContact OE2-CZ 2.75Å; E249-R251 IonicContact OE2-NH1 3.42Å; E249-R251 PolarHBondContact OE2-NH1 2.88Å; E249-R251 IonicContact OE2-NH2 3.56Å; E249-R251 PolarHBondContact OE2-NH2 3.26Å; R251-A263 CarbonylContact C-O 3.52Å; R251-A263 VanDerWaalsContact CA-O 3.27Å; R251-A263 WeakPolarHBondContact CA-O 3.38Å; R251-A263 VanDerWaalsContact CD-O 3.29Å; R251-A263 WeakPolarHBondContact CD-O 3.39Å
252L93.4Very high88.3Confident0 Ų040.9 Ų40.90%025%0.246CC..EExtended strand (participates in β ladder)trans-77.8125.2161.2176.871.4000108.7L212 L237 V254 C262 A263 F340 F348L212-L252 HydrophobicContact CD1-CD2 3.54Å; L237-L252 HydrophobicContact CD2-CB 4.31Å; L237-L252 HydrophobicContact CD2-CD1 4.45Å; L252-V254 HydrophobicContact CD1-CG2 4.32Å; L252-V254 HydrophobicContact CD2-CG2 3.77Å; L252-V254 HydrophobicContact CG-CG2 3.75Å; L252-C262 CarbonylContact O-C 3.54Å; L252-C262 VanDerWaalsContact O-CA 3.32Å; L252-C262 WeakPolarHBondContact O-CA 3.16Å; L252-A263 HydrophobicContact CB-CB 4.43Å; L252-A263 PolarHBondContact N-O 3.26Å; L252-A263 PolarHBondContact O-N 3.42Å; L252-F340 HydrophobicContact CD1-CE2 3.71Å; L252-F340 HydrophobicContact CD1-CZ 3.58Å; L252-F348 HydrophobicContact CB-CD1 3.62Å; L252-F348 HydrophobicContact CB-CE1 3.59Å; L252-F348 HydrophobicContact CB-CG 4.39Å; L252-F348 HydrophobicContact CB-CZ 4.33Å; L252-F348 HydrophobicContact CD1-CE1 4.39Å; L252-F348 HydrophobicContact CD1-CZ 4.34Å; L252-F348 HydrophobicContact CD2-CB 4.46Å; L252-F348 HydrophobicContact CD2-CD1 3.79Å; L252-F348 HydrophobicContact CD2-CD2 3.82Å; L252-F348 HydrophobicContact CD2-CE1 3.94Å; L252-F348 HydrophobicContact CD2-CE2 3.97Å; L252-F348 HydrophobicContact CD2-CG 3.74Å; L252-F348 HydrophobicContact CD2-CZ 4.03Å; L252-F348 HydrophobicContact CG-CD1 4.29Å; L252-F348 HydrophobicContact CG-CE1 4.18Å; L252-F348 HydrophobicContact CG-CZ 4.48Å
253L94.1Very high88.6Confident0 Ų039.1 Ų39.10%024%0.237CC..EExtended strand (participates in β ladder)trans-105.9135.8167.3-165.969.3000109.2Y235 G236 V238 L260 I261 C262 F458 I460 W471Y235-L253 CarbonylContact C-O 3.55Å; Y235-L253 VanDerWaalsContact CA-O 3.26Å; Y235-L253 WeakPolarHBondContact CA-O 3.35Å; G236-L253 PolarHBondContact N-O 3.11Å; G236-L253 PolarHBondContact O-N 2.91Å; V238-L253 HydrophobicContact CG1-CB 4.09Å; V238-L253 HydrophobicContact CG1-CD2 4.31Å; V238-L253 HydrophobicContact CG2-CB 3.88Å; L253-L260 HydrophobicContact CD1-CD1 3.8Å; L253-L260 HydrophobicContact CD1-CD2 4.41Å; L253-L260 HydrophobicContact CD1-CG 4.12Å; L253-L260 HydrophobicContact CG-CD1 4.02Å; L253-I261 CarbonylContact C-O 3.4Å; L253-I261 WeakPolarHBondContact CA-O 3.31Å; L253-C262 HydrophobicContact CD1-CB 4.49Å; L253-F458 HydrophobicContact CD1-CE2 4.15Å; L253-F458 HydrophobicContact CD1-CZ 4.19Å; L253-I460 HydrophobicContact CD2-CD1 3.73Å; L253-W471 HydrophobicContact CB-CH2 4.14Å; L253-W471 HydrophobicContact CB-CZ3 4.38Å; L253-W471 HydrophobicContact CD2-CE3 3.91Å; L253-W471 HydrophobicContact CD2-CH2 4.28Å; L253-W471 HydrophobicContact CD2-CZ3 3.78Å; L253-W471 HydrophobicContact CG-CZ3 4.27Å
254V93.6Very high89.2Confident0 Ų037.1 Ų37.10%022%0.216CC..EExtended strand (participates in β ladder)trans-135.3116.3179.9-166.60000109.2L212 L232 K234 L252 M256 L260 I261L212-V254 HydrophobicContact CD2-CB 4.33Å; L212-V254 HydrophobicContact CD2-CG1 3.58Å; L212-V254 HydrophobicContact CD2-CG2 3.78Å; L232-V254 HydrophobicContact CD1-CG1 3.52Å; K234-V254 CarbonylContact O-C 3.56Å; L252-V254 HydrophobicContact CD1-CG2 4.32Å; L252-V254 HydrophobicContact CD2-CG2 3.77Å; L252-V254 HydrophobicContact CG-CG2 3.75Å; V254-M256 HydrophobicContact CG1-CG 4.41Å; V254-M256 HydrophobicContact CG1-SD 3.65Å; V254-L260 WeakPolarHBondContact O-CA 3.32Å; V254-I261 HydrophobicContact CB-CB 4.05Å; V254-I261 HydrophobicContact CG2-CB 4.33Å; V254-I261 PolarHBondContact N-O 2.94Å; V254-I261 PolarHBondContact O-N 3.44Å
255I94.7Very high89.8Confident1 Ų131.7 Ų31.71%0.00519%0.19CC..EExtended strand (participates in β ladder)trans-93.1112.7173.5-48.3178.6000107.4L233 K234 L260 L356 W471 L475 A478L233-I255 WeakPolarHBondContact CA-O 3.39Å; L233-I255 HydrophobicContact CB-CB 4.4Å; L233-I255 HydrophobicContact CB-CG2 4.22Å; L233-I255 WeakPolarHBondContact CB-O 3.32Å; L233-I255 HydrophobicContact CD1-CG2 4.17Å; L233-I255 PolarHBondContact N-O 2.89Å; K234-I255 HydrophobicContact CB-CB 4.31Å; K234-I255 HydrophobicContact CB-CD1 4.13Å; K234-I255 HydrophobicContact CB-CG1 4.36Å; K234-I255 HydrophobicContact CD-CD1 4.47Å; K234-I255 PolarHBondContact N-O 3.39Å; K234-I255 PolarHBondContact O-N 2.96Å; I255-L260 HydrophobicContact CB-CD1 4.47Å; I255-L260 HydrophobicContact CG1-CD1 3.82Å; I255-L356 HydrophobicContact CG2-CD1 4.28Å; I255-W471 HydrophobicContact CD1-CE3 4.01Å; I255-W471 HydrophobicContact CD1-CZ3 3.89Å; I255-W471 HydrophobicContact CG1-CZ3 4.11Å; I255-L475 HydrophobicContact CD1-CD2 3.6Å; I255-L475 HydrophobicContact CD1-CG 3.7Å; I255-L475 HydrophobicContact CG1-CD2 3.88Å; I255-L475 HydrophobicContact CG1-CG 4.5Å; I255-A478 HydrophobicContact CG2-CB 3.67Å
256M92.5Very high90Very high1 Ų129.5 Ų29.51%0.00517%0.173CC..EExtended strand (participates in β ladder)trans-97.8175.3168.3-51.5-59.8-64.900109.6I225 R230 K231 L232 V254 D258 I259 I261 L356I225-M256 HydrophobicContact CG2-CE 3.8Å; R230-M256 HydrophobicContact CG-CB 4.04Å; R230-M256 HydrophobicContact CG-CE 3.59Å; R230-M256 HydrophobicContact CG-CG 4.42Å; K231-M256 CarbonylContact O-C 3.6Å; K231-M256 VanDerWaalsContact O-CA 3.26Å; K231-M256 WeakPolarHBondContact O-CA 3.29Å; L232-M256 HydrophobicContact CB-CE 4.01Å; L232-M256 HydrophobicContact CB-SD 4.19Å; L232-M256 HydrophobicContact CD1-SD 3.67Å; V254-M256 HydrophobicContact CG1-CG 4.41Å; V254-M256 HydrophobicContact CG1-SD 3.65Å; M256-D258 PolarHBondContact O-N 3.03Å; M256-I259 WeakPolarHBondContact CA-O 3.42Å; M256-I259 HydrophobicContact CB-CG1 3.77Å; M256-I259 VanDerWaalsContact CB-O 3.27Å; M256-I259 WeakPolarHBondContact CB-O 3.42Å; M256-I259 HydrophobicContact CG-CD1 4.36Å; M256-I259 HydrophobicContact CG-CG1 3.76Å; M256-I259 PolarHBondContact N-O 2.87Å; M256-I261 HydrophobicContact CG-CD1 4.22Å; M256-L356 WeakPolarHBondContact O-CD1 3.4Å
257S91Very high89.8Confident33 Ų3329.7 Ų29.723%0.23116%0.164CC..SBendtrans-71.1-5178.162.80000115.5R230 K231 V482R230-S257 WeakPolarHBondContact CA-OG 3.28Å; K231-S257 PolarHBondContact N-OG 3.44Å; K231-S257 PolarHBondContact O-N 3.37Å; S257-V482 WeakPolarHBondContact O-CG2 3.24Å
258D88.1Confident88.9Confident38 Ų3828.3 Ų28.320%0.20316%0.155CC..SBendtrans-145.8-22.1-177.267.7-36.9000114.4R230 M256 L356R230-D258 WeakPolarHBondContact CG-OD1 3.36Å; R230-D258 IonicContact CZ-OD1 2.72Å; R230-D258 IonicContact CZ-OD2 3.88Å; R230-D258 IonicContact NE-OD1 3.16Å; R230-D258 PolarHBondContact NE-OD1 2.96Å; R230-D258 IonicContact NE-OD2 3.86Å; R230-D258 PolarHBondContact NE-OD2 2.94Å; R230-D258 IonicContact NH2-OD1 3.88Å; R230-D258 IonicContact NH2-OD2 3.73Å; R230-D258 PolarHBondContact NH2-OD2 3.36Å; M256-D258 PolarHBondContact O-N 3.03Å; D258-L356 PolarHBondContact O-N 3.3Å
259I91Very high87.8Confident7 Ų730.5 Ų30.54%0.03616%0.163CC..EExtended strand (participates in β ladder)trans-132.8152.8-178.861.9175.5000111.8L224 M256 I261 V353 Y354L224-I259 HydrophobicContact CD1-CD1 3.97Å; M256-I259 WeakPolarHBondContact CA-O 3.42Å; M256-I259 HydrophobicContact CB-CG1 3.77Å; M256-I259 VanDerWaalsContact CB-O 3.27Å; M256-I259 WeakPolarHBondContact CB-O 3.42Å; M256-I259 HydrophobicContact CG-CD1 4.36Å; M256-I259 HydrophobicContact CG-CG1 3.76Å; M256-I259 PolarHBondContact N-O 2.87Å; I259-I261 HydrophobicContact CD1-CD1 4.02Å; I259-I261 HydrophobicContact CD1-CG1 4.05Å; I259-I261 HydrophobicContact CG1-CG1 4.31Å; I259-V353 HydrophobicContact CB-CG1 3.98Å; I259-V353 HydrophobicContact CD1-CG1 3.92Å; I259-V353 HydrophobicContact CG1-CG1 4.46Å; I259-V353 HydrophobicContact CG2-CG1 4.15Å; I259-Y354 CarbonylContact C-O 3.6Å; I259-Y354 WeakPolarHBondContact CA-O 3.26Å
260L92.5Very high86.8Confident0 Ų031.3 Ų31.30%017%0.166CC..EExtended strand (participates in β ladder)trans-110.8128.2169.3-179.869.8000108.1L253 V254 I255 V353 Y354 L356 V451 F458 L475L253-L260 HydrophobicContact CD1-CD1 3.8Å; L253-L260 HydrophobicContact CD1-CD2 4.41Å; L253-L260 HydrophobicContact CD1-CG 4.12Å; L253-L260 HydrophobicContact CG-CD1 4.02Å; V254-L260 WeakPolarHBondContact O-CA 3.32Å; I255-L260 HydrophobicContact CB-CD1 4.47Å; I255-L260 HydrophobicContact CG1-CD1 3.82Å; L260-V353 WeakPolarHBondContact O-CA 3.27Å; L260-Y354 PolarHBondContact N-O 3.1Å; L260-Y354 PolarHBondContact O-N 3.3Å; L260-L356 HydrophobicContact CB-CD2 3.9Å; L260-L356 HydrophobicContact CB-CG 4.31Å; L260-V451 HydrophobicContact CD2-CG1 3.82Å; L260-F458 HydrophobicContact CD2-CZ 4.01Å; L260-L475 HydrophobicContact CD1-CD2 3.74Å; L260-L475 HydrophobicContact CD2-CD2 4.17Å
261I91.5Very high85.3Confident0 Ų028.7 Ų28.70%015%0.15CC..EExtended strand (participates in β ladder)trans-113133.9-179.1-49.1172000108.9L224 I225 L253 V254 M256 I259 V351 A352L224-I261 HydrophobicContact CD2-CD1 3.98Å; L224-I261 HydrophobicContact CD2-CG2 4.44Å; L224-I261 HydrophobicContact CG-CD1 4.07Å; I225-I261 HydrophobicContact CD1-CD1 4.21Å; I225-I261 HydrophobicContact CG1-CD1 3.94Å; L253-I261 CarbonylContact C-O 3.4Å; L253-I261 WeakPolarHBondContact CA-O 3.31Å; V254-I261 HydrophobicContact CB-CB 4.05Å; V254-I261 HydrophobicContact CG2-CB 4.33Å; V254-I261 PolarHBondContact N-O 2.94Å; V254-I261 PolarHBondContact O-N 3.44Å; M256-I261 HydrophobicContact CG-CD1 4.22Å; I259-I261 HydrophobicContact CD1-CD1 4.02Å; I259-I261 HydrophobicContact CD1-CG1 4.05Å; I259-I261 HydrophobicContact CG1-CG1 4.31Å; I261-V351 HydrophobicContact CG2-CG1 3.4Å; I261-A352 WeakPolarHBondContact CA-O 3.44Å
262C91.2Very high83.8Confident7 Ų731.8 Ų31.85%0.04717%0.166CC..EExtended strand (participates in β ladder)trans-122.2124.1171.6175.80000109L252 L253 A352 Y354L252-C262 CarbonylContact O-C 3.54Å; L252-C262 VanDerWaalsContact O-CA 3.32Å; L252-C262 WeakPolarHBondContact O-CA 3.16Å; L253-C262 HydrophobicContact CD1-CB 4.49Å; C262-A352 PolarHBondContact N-O 2.86Å; C262-A352 PolarHBondContact O-N 2.96Å; C262-Y354 HydrophobicContact CB-CE2 4.1Å
263A90.3Very high82.2Confident1 Ų134.1 Ų34.11%0.00818%0.182CC..EExtended strand (participates in β ladder)trans-133154-179.600000112.3L216 R251 L252 F348 V351L216-A263 HydrophobicContact CD2-CB 4.04Å; R251-A263 CarbonylContact C-O 3.52Å; R251-A263 VanDerWaalsContact CA-O 3.27Å; R251-A263 WeakPolarHBondContact CA-O 3.38Å; R251-A263 VanDerWaalsContact CD-O 3.29Å; R251-A263 WeakPolarHBondContact CD-O 3.39Å; L252-A263 HydrophobicContact CB-CB 4.43Å; L252-A263 PolarHBondContact N-O 3.26Å; L252-A263 PolarHBondContact O-N 3.42Å; A263-F348 HydrophobicContact CB-CB 3.98Å; A263-V351 HydrophobicContact CB-CG2 4.15Å
264K89.5Confident80.5Confident57 Ų5737 Ų3725%0.24820%0.197CC..EExtended strand (participates in β ladder)trans-93.1122.3176.1-178162-178159.10110.1E249 S349 C350E249-K264 IonicContact OE1-NZ 3.29Å; E249-K264 WeakPolarHBondContact OE2-CE 3.45Å; E249-K264 IonicContact OE2-NZ 2.71Å; E249-K264 PolarHBondContact OE2-NZ 3.32Å; K264-S349 PolarHBondContact N-O 3.15Å; K264-S349 PolarHBondContact O-N 2.89Å; K264-S349 PolarHBondContact O-OG 3.39Å; K264-C350 HydrophobicContact CB-CB 4.18Å
265P89Confident78.9Confident37 Ų3742 Ų4224%0.2422%0.219CC..EExtended strand (participates in β ladder)trans-60.7148.6172.826.6-33.7000110.7T250 C347 F348T250-P265 HydrophobicContact CG2-CG 4.35Å; T250-P265 WeakPolarHBondContact O-CD 3.34Å; P265-C347 CarbonylContact C-O 3.56Å; P265-F348 HydrophobicContact CB-CD1 4.15Å; P265-F348 HydrophobicContact CB-CE1 3.92Å
266R82.4Confident76.9Confident58 Ų5845.7 Ų45.722%0.21925%0.245CC..EExtended strand (participates in β ladder)trans-141.3145.1177.6-66.5-65.3-175.4171.3-0.2108.8E270 L271 C347 S349R266-E270 WeakPolarHBondContact CD-OE2 3.3Å; R266-E270 IonicContact CZ-OE2 2.8Å; R266-E270 IonicContact NE-OE2 3.8Å; R266-E270 IonicContact NH1-OE2 3.7Å; R266-E270 PolarHBondContact NH1-OE2 3.32Å; R266-L271 HydrophobicContact CB-CD1 4Å; R266-L271 HydrophobicContact CB-CG 4.12Å; R266-L271 HydrophobicContact CG-CG 4.44Å; R266-C347 PolarHBondContact N-O 3.33Å; R266-C347 PolarHBondContact O-N 3.35Å; R266-C347 VanDerWaalsContact O-O 3.12Å; R266-S349 WeakPolarHBondContact CG-OG 3.44Å; R266-S349 PolarHBondContact NE-OG 3Å
267T76.1Confident74.8Confident58 Ų5852.9 Ų52.936%0.35628%0.276SS..EExtended strand (participates in β ladder)trans-72.1148.7159.855.30000109.8T269 E270 L271T267-T269 PolarHBondContact O-N 3.17Å; T267-T269 PolarHBondContact OG1-OG1 3.09Å; T267-E270 WeakPolarHBondContact O-CB 3.33Å; T267-E270 PolarHBondContact O-N 3.3Å; T267-E270 VanDerWaalsContact OG1-CG 3.31Å; T267-E270 WeakPolarHBondContact OG1-CG 3.46Å; T267-E270 PolarHBondContact OG1-OE1 3.32Å; T267-L271 PolarHBondContact O-N 2.88Å
268Q67.6Low72.6Confident87 Ų8757.2 Ų57.241%0.40729%0.291SS..Hα-helixtrans-56.9-37.6177-175.5178.8-23.100112.5E270 L271 E272 K345Q268-E270 PolarHBondContact O-N 3.24Å; Q268-L271 WeakPolarHBondContact O-CB 3.44Å; Q268-L271 PolarHBondContact O-N 3.31Å; Q268-L271 VanDerWaalsContact O-N 3.14Å; Q268-E272 PolarHBondContact NE2-OE1 3.37Å; Q268-E272 PolarHBondContact O-N 2.95Å; Q268-K345 PolarHBondContact N-O 3.39Å
269T64.5Low70.1Confident100 Ų10064.4 Ų64.461%0.61332%0.32SS*.Hα-helixtrans-62.5-37.6177.546.80000113.2T267 S273T267-T269 PolarHBondContact O-N 3.17Å; T267-T269 PolarHBondContact OG1-OG1 3.09Å; T269-S273 PolarHBondContact O-N 3.48Å
270E66.6Low67.1Low70 Ų7069.1 Ų69.133%0.32735%0.352SS..Hα-helixtrans-61.1-44172.2-81.3172.6-11500111.6R266 T267 Q268 S273 I274R266-E270 WeakPolarHBondContact CD-OE2 3.3Å; R266-E270 IonicContact CZ-OE2 2.8Å; R266-E270 IonicContact NE-OE2 3.8Å; R266-E270 IonicContact NH1-OE2 3.7Å; R266-E270 PolarHBondContact NH1-OE2 3.32Å; T267-E270 WeakPolarHBondContact O-CB 3.33Å; T267-E270 PolarHBondContact O-N 3.3Å; T267-E270 VanDerWaalsContact OG1-CG 3.31Å; T267-E270 WeakPolarHBondContact OG1-CG 3.46Å; T267-E270 PolarHBondContact OG1-OE1 3.32Å; Q268-E270 PolarHBondContact O-N 3.24Å; E270-S273 WeakPolarHBondContact O-CB 3.49Å; E270-S273 PolarHBondContact O-N 2.8Å; E270-S273 PolarHBondContact O-OG 2.85Å; E270-I274 WeakPolarHBondContact O-CG1 3.47Å; E270-I274 PolarHBondContact O-N 3.27Å; E270-I274 VanDerWaalsContact O-N 3.14Å
271L60.3Low64.3Low12 Ų1274.2 Ų74.26%0.06338%0.383CS..Hα-helixtrans-65.5-43.8-179.9-80.2161000111.9F217 R266 T267 Q268 S273 I274 F275 C347F217-L271 HydrophobicContact CB-CD2 4.31Å; F217-L271 HydrophobicContact CD2-CD1 4.05Å; F217-L271 HydrophobicContact CE2-CD1 4.42Å; F217-L271 HydrophobicContact CG-CD1 4.25Å; R266-L271 HydrophobicContact CB-CD1 4Å; R266-L271 HydrophobicContact CB-CG 4.12Å; R266-L271 HydrophobicContact CG-CG 4.44Å; T267-L271 PolarHBondContact O-N 2.88Å; Q268-L271 WeakPolarHBondContact O-CB 3.44Å; Q268-L271 PolarHBondContact O-N 3.31Å; Q268-L271 VanDerWaalsContact O-N 3.14Å; L271-S273 PolarHBondContact O-N 3.3Å; L271-I274 WeakPolarHBondContact O-CB 3.21Å; L271-I274 PolarHBondContact O-N 2.85Å; L271-F275 HydrophobicContact CB-CD2 4.32Å; L271-F275 HydrophobicContact CB-CE2 4.19Å; L271-F275 HydrophobicContact CD2-CE2 3.89Å; L271-F275 HydrophobicContact CD2-CZ 4.5Å; L271-F275 WeakPolarHBondContact O-CD2 3.18Å; L271-F275 PolarHBondContact O-N 3.1Å; L271-C347 HydrophobicContact CD1-CB 3.27Å
272E60.3Low61.4Low100 Ų10084.5 Ų84.547%0.46742%0.424SS..Hα-helixtrans-57.1-39.1174.8-73.2171.2-169.300111.6Q268 I274 S276Q268-E272 PolarHBondContact NE2-OE1 3.37Å; Q268-E272 PolarHBondContact O-N 2.95Å; E272-I274 PolarHBondContact O-N 3.11Å; E272-S276 WeakPolarHBondContact O-CB 3.36Å; E272-S276 PolarHBondContact O-N 2.87Å; E272-S276 PolarHBondContact O-OG 3.14Å
273S59.6Low58.3Low50 Ų5089.1 Ų89.135%0.3546%0.456SS..Hα-helixtrans-64.7-38173.989.20000113T269 E270 L271 K277T269-S273 PolarHBondContact O-N 3.48Å; E270-S273 WeakPolarHBondContact O-CB 3.49Å; E270-S273 PolarHBondContact O-N 2.8Å; E270-S273 PolarHBondContact O-OG 2.85Å; L271-S273 PolarHBondContact O-N 3.3Å; S273-K277 WeakPolarHBondContact O-CB 3.48Å; S273-K277 VanDerWaalsContact O-CG 3.27Å; S273-K277 WeakPolarHBondContact O-CG 3.21Å; S273-K277 PolarHBondContact O-N 3.31Å; S273-K277 VanDerWaalsContact O-N 3.09Å
274I59.1Low55.3Low60 Ų6099.5 Ų99.531%0.30850%0.495SS..Hα-helixtrans-71.8-41.5-179.6-68.2163.8000110.9E270 L271 E272 K278E270-I274 WeakPolarHBondContact O-CG1 3.47Å; E270-I274 PolarHBondContact O-N 3.27Å; E270-I274 VanDerWaalsContact O-N 3.14Å; L271-I274 WeakPolarHBondContact O-CB 3.21Å; L271-I274 PolarHBondContact O-N 2.85Å; E272-I274 PolarHBondContact O-N 3.11Å; I274-K278 PolarHBondContact O-N 3.3Å
275F58.6Low52.3Low105 Ų105106.6 Ų106.646%0.46153%0.526SS..Hα-helixtrans-72.4-39177.1-70-63.5000111.9F217 L271 K277 K278 K279F217-F275 HydrophobicContact CD1-CE2 4.19Å; F217-F275 HydrophobicContact CD1-CZ 4.25Å; L271-F275 HydrophobicContact CB-CD2 4.32Å; L271-F275 HydrophobicContact CB-CE2 4.19Å; L271-F275 HydrophobicContact CD2-CE2 3.89Å; L271-F275 HydrophobicContact CD2-CZ 4.5Å; L271-F275 WeakPolarHBondContact O-CD2 3.18Å; L271-F275 PolarHBondContact O-N 3.1Å; F275-K277 PolarHBondContact O-N 2.98Å; F275-K278 PolarHBondContact O-N 2.9Å; F275-K278 VanDerWaalsContact O-N 3.16Å; F275-K279 PolarHBondContact O-N 3.46Å
276S52.4Low49.3Very low79 Ų79115.3 Ų115.355%0.55256%0.556SS**Hα-helixtrans-62-43.8175.7-61.80000112.1E272 K278 K279E272-S276 WeakPolarHBondContact O-CB 3.36Å; E272-S276 PolarHBondContact O-N 2.87Å; E272-S276 PolarHBondContact O-OG 3.14Å; S276-K278 PolarHBondContact O-N 3.42Å; S276-K279 PolarHBondContact O-N 2.87Å; S276-K279 VanDerWaalsContact O-N 3.17Å
277K49.5Very low46.7Very low152 Ų152118.1 Ų118.166%0.66158%0.581SS**Hα-helixtrans-61.5-28.4175.6-75.2170.7-178.6173.80113.2S273 F275 C280S273-K277 WeakPolarHBondContact O-CB 3.48Å; S273-K277 VanDerWaalsContact O-CG 3.27Å; S273-K277 WeakPolarHBondContact O-CG 3.21Å; S273-K277 PolarHBondContact O-N 3.31Å; S273-K277 VanDerWaalsContact O-N 3.09Å; F275-K277 PolarHBondContact O-N 2.98Å; K277-C280 PolarHBondContact O-N 2.75Å
278K44.6Very low44.4Very low123 Ų123122 Ų12254%0.53560%0.6SS.*Hα-helixtrans-75-22.1177-77.5175.1178.9167.40114.5I274 F275 S276 C280I274-K278 PolarHBondContact O-N 3.3Å; F275-K278 PolarHBondContact O-N 2.9Å; F275-K278 VanDerWaalsContact O-N 3.16Å; S276-K278 PolarHBondContact O-N 3.42Å; K278-C280 PolarHBondContact O-N 3.48Å
279K34.8Very low42.5Very low189 Ų189122.9 Ų122.982%0.82261%0.613SS**Hα-helixtrans-66-21.5169.7-80.8-173.7173.6179.80112.7F275 S276 V281F275-K279 PolarHBondContact O-N 3.46Å; S276-K279 PolarHBondContact O-N 2.87Å; S276-K279 VanDerWaalsContact O-N 3.17Å; K279-V281 PolarHBondContact O-N 2.79Å
280C29.4Very low40.8Very low106 Ų106126.8 Ų126.872%0.71662%0.622SS**THydrogen-bonded Turntrans-86.95-177.4-126.80000115.3K277 K278K277-C280 PolarHBondContact O-N 2.75Å; K278-C280 PolarHBondContact O-N 3.48Å
281V33.3Very low39.2Very low107 Ų107130.5 Ų130.565%0.64865%0.65SS**THydrogen-bonded Turntrans-117.83.7-173-170.20000113.4K279 S283K279-V281 PolarHBondContact O-N 2.79Å; V281-S283 VanDerWaalsContact C-N 3.26Å; V281-S283 PolarHBondContact O-N 2.97Å
282Y29.4Very low37.9Very low216 Ų216137.9 Ų137.985%0.84768%0.684SS**THydrogen-bonded Turntrans-80.45.6179.3-98.4-78.7000115.5
283S27Very low36.4Very low105 Ų105141.3 Ų141.373%0.73470%0.698SS**THydrogen-bonded Turntrans-104.27.1-17648.60000115.3V281V281-S283 VanDerWaalsContact C-N 3.26Å; V281-S283 PolarHBondContact O-N 2.97Å
284R28Very low35.1Very low218 Ų218149.9 Ų149.982%0.82372%0.724SS**SBendtrans-97.5110.5168.5-76.9-170.7-177.3179.12.8111.5Y286R284-Y286 PolarHBondContact O-N 2.72Å
285K24.9Very low33.7Very low207 Ų207150.5 Ų150.590%0.975%0.745SS**PPolyproline II helixtrans-50.7123.1174.7-60.7173.7178.5179.30111.1
286Y26.3Very low32.4Very low219 Ų219157.2 Ų157.286%0.85977%0.768SS**PPolyproline II helixtrans-88.3133.8154.2-79.2-89.3000108.3R284R284-Y286 PolarHBondContact O-N 2.72Å
287P27.7Very low31.3Very low117 Ų117162.7 Ų162.776%0.7678%0.782SS**PPolyproline II helixtrans-71.3135.3179.729-33.3000110.7
288N28.5Very low30.4Very low140 Ų140162.7 Ų162.775%0.74979%0.794SS**PPolyproline II helixtrans-83.1121-176.5-163.313.3000110.4F290N288-F290 VanDerWaalsContact C-N 3.31Å; N288-F290 PolarHBondContact O-N 3.38Å; N288-F290 VanDerWaalsContact O-N 3.07Å
289P28.5Very low29.6Very low106 Ų106161.4 Ų161.469%0.68880%0.8SS**SBendtrans-88.950.1-169.136.7-37.4000113.7
290F27.8Very low29.5Very low182 Ų182156.7 Ų156.780%0.79879%0.791SS**  trans-147.685.3171.5-83.8-73.2000112.3N288N288-F290 VanDerWaalsContact C-N 3.31Å; N288-F290 PolarHBondContact O-N 3.38Å; N288-F290 VanDerWaalsContact O-N 3.07Å
291T33.4Very low29.5Very low147 Ų147160.7 Ų160.790%0.90280%0.799SS**  trans-162.779.7151.82.60000108.9
292Q32.4Very low29.3Very low167 Ų167161.8 Ų161.878%0.7881%0.81SS**  trans-84.5157.8157.2-77.2-175.3-22.800109.2
293F30Very low29.2Very low173 Ų173157.1 Ų157.176%0.75980%0.804SS**  trans86.6133.8171.8-62.1-81.8000118.6
294Y32Very low29.5Very low229 Ų229160.7 Ų160.790%0.89881%0.807SS**  trans70.7101175.1-60.6-76.1000119
295G30.3Very low29.6Very low74 Ų74158.4 Ų158.476%0.76381%0.805SS**  132.687.5116.500000119
296R30.2Very low30.1Very low246 Ų246156.3 Ų156.393%0.92880%0.802SS**  trans69.7119.5141.2-167.5172-81.8-161.2-4.5119.3
297K28.8Very low30.3Very low194 Ų194156.5 Ų156.584%0.84380%0.801SS**  trans-47.3150.4166.8-52.8166.3178.2178.90113.7
298V31.4Very low30.5Very low152 Ų152161.3 Ų161.392%0.92180%0.804SS**  -164.6161.1118153.40000108.5
299S28.4Very low30.8Very low96 Ų96160.5 Ų160.567%0.67181%0.809SS**  trans-106170.4-161.8166.10000114.6
300S32.8Very low31Very low89 Ų89161.5 Ų161.562%0.62281%0.809SS**  trans74.9122.2147.341.70000121.6
301E28.7Very low31.4Very low190 Ų190159.9 Ų159.989%0.88881%0.809SS**  trans51.9119.4130.4-57.3-178.8133.700120.6
302C28Very low31.6Very low130 Ų130158 Ų15888%0.87880%0.797SS**  -160.3130.5118.4-163.80000112.2
303T29Very low31.6Very low118 Ų118157.5 Ų157.572%0.72480%0.8SS**  trans-97.8135.7169.3-52.80000109
304K33.5Very low31.7Very low181 Ų181154.2 Ų154.279%0.78780%0.796SS**  trans157134.8133.2-83.9157.3-172.7173.70115.1
305H29.4Very low31.5Very low169 Ų169150.8 Ų150.878%0.78279%0.792SS**  trans37.8131.1142.5-61.1-64000123.8
306I35Very low31.4Very low163 Ų163154.6 Ų154.684%0.83680%0.8SS**  -157111.6126.7-93.5140.8000105.1
307R31.7Very low31.3Very low223 Ų223150 Ų15084%0.84279%0.789SS**  50.3140.295-79.2-175.7177.7178.6-0.2113.9
308R30.2Very low31.2Very low218 Ų218146.2 Ų146.282%0.82378%0.782SS**  cis167.7129.9-15.6-130.9-169.1-172.2-177.42.4104.3
309S35.5Very low31Very low123 Ų123143.7 Ų143.786%0.8677%0.769SS**  trans-157.8141.6153.949.70000108.9
310N32.8Very low30.9Very low128 Ų128148.9 Ų148.968%0.68478%0.779SS**  trans-106.3163.1-169.9-58.4-29.6000111.1
311D37.1Very low30.6Very low148 Ų148152.1 Ų152.179%0.79178%0.782SS**  -178101.6124.4-87.8-16000108.7
312T35.7Very low30.4Very low106 Ų106148.9 Ų148.965%0.6578%0.78SS**  73.593.391.956.20000116
313N32.4Very low30.3Very low158 Ų158150.7 Ų150.785%0.84577%0.773SS**  -177.7159.2112.2-90.5-23.4000112.9
314P33.1Very low30Very low104 Ų104150.6 Ų150.668%0.67578%0.778SS**  trans-124.8161.5-140.241.6-30000118
315L27.1Very low29.6Very low156 Ų156149.9 Ų149.982%0.81778%0.781SS**  trans29.4111.6144-71.9158000120.3
316V29.4Very low29.3Very low154 Ų154145.9 Ų145.993%0.93377%0.772SS**  trans-131.5146.1140178.90000108.5
317H28.2Very low28.7Very low149 Ų149146.7 Ų146.769%0.6977%0.772SS**  trans-128117-157.2-177.8-85.8000112
318V25.8Very low28.3Very low116 Ų116141.1 Ų141.170%0.70377%0.767SS**  trans69.2140.8151.4176.10000114.7
319P28Very low28Very low99 Ų99135.3 Ų135.364%0.64376%0.76SS**  cis-140.9172.147.536.1-14000119F321P319-F321 HydrophobicContact CG-CD2 4.38Å; P319-F321 PolarHBondContact O-N 2.82Å
320K25.9Very low27.4Very low204 Ų204139.9 Ų139.989%0.88776%0.76SS**  trans-53.1126.7162.1-60.8170.9179.8175.30109.8
321F27.1Very low27Very low158 Ų158142.7 Ų142.769%0.69377%0.766SS**  trans-131.5104.6161.9-110.9-78.7000110.6P319 K323P319-F321 HydrophobicContact CG-CD2 4.38Å; P319-F321 PolarHBondContact O-N 2.82Å; F321-K323 HydrophobicContact CD1-CD 4.4Å; F321-K323 HydrophobicContact CD1-CG 4.26Å; F321-K323 PolarHBondContact O-N 3.09Å
322S23Very low26.5Very low121 Ų121143.5 Ų143.585%0.84677%0.766SS**  trans-64.4107.8154.246.90000108.4
323K27Very low25.9Very low168 Ų168144.4 Ų144.473%0.7377%0.771SS**  trans-133.7116162.3-97-177.2177.4179.50109.8F321 I325F321-K323 HydrophobicContact CD1-CD 4.4Å; F321-K323 HydrophobicContact CD1-CG 4.26Å; F321-K323 PolarHBondContact O-N 3.09Å; K323-I325 PolarHBondContact O-N 3.33Å
324S22.4Very low25.7Very low117 Ų117142.1 Ų142.182%0.81875%0.754SS**  trans-48.8119.9160.8460000110.5
325I25.6Very low25.4Very low165 Ų165143 Ų14385%0.84675%0.753SS**  trans-106.3106158.7-67.2178.9000106.5K323K323-I325 PolarHBondContact O-N 3.33Å
326S23Very low25.6Very low85 Ų85143 Ų14359%0.59475%0.754SS**  trans-65.7144.9170.6300000111.2
327Q22.3Very low26.1Very low181 Ų181140.6 Ų140.685%0.84674%0.744SS**  trans51.7100.3141-62.3165.3-30.900118.5
328S23.1Very low26.8Very low105 Ų105138.5 Ų138.573%0.73474%0.742SS**  -142.497.9119.962.30000110.7Y330S328-Y330 PolarHBondContact O-N 3.22Å; S328-Y330 VanDerWaalsContact O-N 3.11Å
329S22.7Very low28.5Very low97 Ų97135.2 Ų135.268%0.67872%0.72SS**  trans-76.788.4176.9480000110.9F331S329-F331 PolarHBondContact O-N 2.88Å; S329-F331 VanDerWaalsContact O-N 3.08Å
330Y23Very low30.7Very low219 Ų219132 Ų13286%0.85970%0.696SS**  trans-8261.8162.9-84.4-83.6000110.8S328 Q332S328-Y330 PolarHBondContact O-N 3.22Å; S328-Y330 VanDerWaalsContact O-N 3.11Å; Y330-Q332 PolarHBondContact O-N 3.39Å
331F24.4Very low32.8Very low186 Ų186122.3 Ų122.382%0.81665%0.654SS**  trans-76.299.6159.1-79.4-75.5000107.5S329 T333S329-F331 PolarHBondContact O-N 2.88Å; S329-F331 VanDerWaalsContact O-N 3.08Å; F331-T333 PolarHBondContact O-N 3.46Å
332Q26.6Very low34.7Very low165 Ų165119.5 Ų119.577%0.77165%0.65SS**  trans-70.4103.7173.4-147.3167.26.600107.9Y330 F334Y330-Q332 PolarHBondContact O-N 3.39Å; Q332-F334 WeakPolarHBondContact O-CD2 3.25Å; Q332-F334 PolarHBondContact O-N 2.67Å; Q332-F334 VanDerWaalsContact O-N 3.08Å
333T24.9Very low37.1Very low125 Ų125116.5 Ų116.577%0.76763%0.625SS**  trans-61.9106.3173.412.60000108.9F331 N335F331-T333 PolarHBondContact O-N 3.46Å; T333-N335 PolarHBondContact O-N 2.9Å
334F27.7Very low39.1Very low110 Ų110114.6 Ų114.648%0.48262%0.622SS.*  trans-70.8109.3166.2-76.7-89.4000107.6Q332 V346Q332-F334 WeakPolarHBondContact O-CD2 3.25Å; Q332-F334 PolarHBondContact O-N 2.67Å; Q332-F334 VanDerWaalsContact O-N 3.08Å; F334-V346 HydrophobicContact CE1-CG2 3.79Å; F334-V346 HydrophobicContact CZ-CG2 3.9Å
335N26.6Very low41.5Very low124 Ų124116 Ų11666%0.66361%0.614SS**  trans-74.3131.1172-80.5-9.8000109.6T333 S337T333-N335 PolarHBondContact O-N 2.9Å; N335-S337 PolarHBondContact O-N 3.43Å
336D31.7Very low44.1Very low155 Ų155108.7 Ų108.783%0.82958%0.577SS**THydrogen-bonded Turntrans-70.721.7-169.2-66.3-56000116.2
337S38.6Very low47Very low104 Ų104105 Ų10573%0.72755%0.551SS**THydrogen-bonded Turntrans-114.2-2.5-169.560.80000116.4N335N335-S337 PolarHBondContact O-N 3.43Å
338T44Very low50Low105 Ų10596.5 Ų96.564%0.64451%0.511SS*.SBendtrans-122.3137.6173.953.80000110.9F340T338-F340 PolarHBondContact O-N 2.95Å
339D61.2Low52.8Low46 Ų4692 Ų9225%0.24648%0.479CS..  trans-65.195.9-177.2-165.8-8.3000109K208 Y235 L341 T342K208-D339 IonicContact NZ-OD2 3.4Å; K208-D339 PolarHBondContact NZ-OD2 3.13Å; Y235-D339 VanDerWaalsContact OH-CG 3.3Å; Y235-D339 PolarHBondContact OH-OD1 2.8Å; Y235-D339 PolarHBondContact OH-OD2 3.2Å; D339-L341 PolarHBondContact O-N 3.21Å; D339-T342 HydrophobicContact CB-CG2 4.39Å; D339-T342 WeakPolarHBondContact O-CB 3Å; D339-T342 WeakPolarHBondContact O-CG2 3.34Å; D339-T342 PolarHBondContact O-N 2.95Å; D339-T342 PolarHBondContact O-OG1 3.31Å
340F73.1Confident55.4Low32 Ų3291.5 Ų91.514%0.1448%0.475CS..G310 helixtrans-59.1-14.4-169.159.2-97.1000114.3Y235 L237 L252 T338 T342 D343 F348Y235-F340 HydrophobicContact CD2-CE1 4.35Å; Y235-F340 HydrophobicContact CD2-CE2 4.41Å; Y235-F340 AromaticContact CD2-CZ 3.71Å; Y235-F340 HydrophobicContact CD2-CZ 3.71Å; Y235-F340 HydrophobicContact CE2-CE1 4.28Å; Y235-F340 AromaticContact CE2-CZ 3.93Å; Y235-F340 HydrophobicContact CE2-CZ 3.93Å; L237-F340 HydrophobicContact CD1-CD1 4.29Å; L237-F340 HydrophobicContact CD1-CG 4.44Å; L237-F340 HydrophobicContact CD2-CE2 4.45Å; L237-F340 HydrophobicContact CD2-CZ 4.38Å; L237-F340 HydrophobicContact CG-CD1 4.19Å; L237-F340 HydrophobicContact CG-CE1 4Å; L237-F340 HydrophobicContact CG-CZ 4.2Å; L252-F340 HydrophobicContact CD1-CE2 3.71Å; L252-F340 HydrophobicContact CD1-CZ 3.58Å; T338-F340 PolarHBondContact O-N 2.95Å; F340-T342 PolarHBondContact O-N 2.89Å; F340-D343 PolarHBondContact O-N 3.5Å; F340-F348 HydrophobicContact CD2-CE2 4.44Å; F340-F348 AromaticContact CD2-CZ 3.84Å; F340-F348 HydrophobicContact CD2-CZ 3.84Å; F340-F348 HydrophobicContact CE2-CE2 4.26Å; F340-F348 AromaticContact CE2-CZ 3.69Å; F340-F348 HydrophobicContact CE2-CZ 3.69Å
341L70.4Confident58.3Low1 Ų183.2 Ų83.21%0.00545%0.447CS..G310 helixtrans-64.4-24170.4-63.8-178.7000112.7L211 L212 K215 Y235 D339 F348L211-L341 HydrophobicContact CD2-CB 3.68Å; L211-L341 HydrophobicContact CG-CB 4.13Å; L212-L341 HydrophobicContact CD1-CD2 4.19Å; K215-L341 WeakPolarHBondContact CE-O 3.26Å; Y235-L341 HydrophobicContact CD2-CD1 4.06Å; Y235-L341 HydrophobicContact CD2-CG 4.47Å; Y235-L341 HydrophobicContact CE1-CD1 4.46Å; Y235-L341 HydrophobicContact CE2-CD1 3.41Å; Y235-L341 VanDerWaalsContact CE2-CD1 3.41Å; Y235-L341 HydrophobicContact CE2-CG 3.85Å; D339-L341 PolarHBondContact O-N 3.21Å; L341-F348 HydrophobicContact CD2-CE2 4.25Å
342T66.6Low61.2Low99 Ų9975.9 Ų75.961%0.60742%0.421SS*.G310 helixtrans-74.2-22175.862.80000113.3D339 F340 N344D339-T342 HydrophobicContact CB-CG2 4.39Å; D339-T342 WeakPolarHBondContact O-CB 3Å; D339-T342 WeakPolarHBondContact O-CG2 3.34Å; D339-T342 PolarHBondContact O-N 2.95Å; D339-T342 PolarHBondContact O-OG1 3.31Å; F340-T342 PolarHBondContact O-N 2.89Å; T342-N344 PolarHBondContact O-N 3.2Å
343D74.2Confident64.1Low58 Ų5870.9 Ų70.931%0.3140%0.402SS..  trans-72.2116.6175.1-173-5.6000109.9K215 F340 K345 V346K215-D343 PolarHBondContact NZ-O 3.31Å; F340-D343 PolarHBondContact O-N 3.5Å; D343-K345 PolarHBondContact O-N 3.35Å; D343-K345 WeakPolarHBondContact OD1-CB 3.44Å; D343-K345 PolarHBondContact OD1-N 3.05Å; D343-V346 HydrophobicContact CB-CB 4.47Å; D343-V346 HydrophobicContact CB-CG2 4Å; D343-V346 PolarHBondContact O-N 3.08Å
344N69.2Low67.2Low128 Ų12866.3 Ų66.368%0.68437%0.371SS*.THydrogen-bonded Turntrans-61.4-26.8176.7-75.4-29.7000113.3T342T342-N344 PolarHBondContact O-N 3.2Å
345K73.5Confident70.1Confident146 Ų14662.2 Ų62.264%0.63536%0.355SS*.THydrogen-bonded Turntrans-81.7-18.2-176.1-60.6175-177.6173.80114.1Q268 D343Q268-K345 PolarHBondContact N-O 3.39Å; D343-K345 PolarHBondContact O-N 3.35Å; D343-K345 WeakPolarHBondContact OD1-CB 3.44Å; D343-K345 PolarHBondContact OD1-N 3.05Å
346V79.4Confident73.1Confident12 Ų1256.3 Ų56.37%0.07332%0.323CS..EExtended strand (participates in β ladder)trans-88129.1-178.9179.90000110.1K215 F334 D343 F348K215-V346 VanDerWaalsContact CD-O 3.31Å; K215-V346 WeakPolarHBondContact CD-O 3.41Å; F334-V346 HydrophobicContact CE1-CG2 3.79Å; F334-V346 HydrophobicContact CZ-CG2 3.9Å; D343-V346 HydrophobicContact CB-CB 4.47Å; D343-V346 HydrophobicContact CB-CG2 4Å; D343-V346 PolarHBondContact O-N 3.08Å; V346-F348 HydrophobicContact CG1-CE1 4.16Å; V346-F348 HydrophobicContact CG1-CE2 4.06Å; V346-F348 HydrophobicContact CG1-CZ 3.65Å
347C83.2Confident75.7Confident8 Ų850.2 Ų50.25%0.05429%0.29CS..EExtended strand (participates in β ladder)trans-137.3158.6177.2-69.60000109.2F217 P265 R266 L271F217-C347 HydrophobicContact CD2-CB 3.8Å; F217-C347 HydrophobicContact CE2-CB 3.67Å; F217-C347 WeakPolarHBondContact CE2-SG 3.31Å; P265-C347 CarbonylContact C-O 3.56Å; R266-C347 PolarHBondContact N-O 3.33Å; R266-C347 PolarHBondContact O-N 3.35Å; R266-C347 VanDerWaalsContact O-O 3.12Å; L271-C347 HydrophobicContact CD1-CB 3.27Å
348F85.2Confident78.1Confident1 Ų148.4 Ų48.40%0.00427%0.27CS..EExtended strand (participates in β ladder)trans-119.2136-176.1-61.6-76.4000111.4K215 L216 F217 L237 L252 A263 P265 F340 L341 V346K215-F348 HydrophobicContact CB-CD2 4.05Å; K215-F348 HydrophobicContact CB-CE2 4.39Å; K215-F348 PolarHBondContact O-N 2.81Å; L216-F348 HydrophobicContact CD2-CB 3.74Å; L216-F348 HydrophobicContact CG-CB 4.5Å; F217-F348 PolarHBondContact N-O 3.39Å; L237-F348 HydrophobicContact CD2-CE1 4.19Å; L252-F348 HydrophobicContact CB-CD1 3.62Å; L252-F348 HydrophobicContact CB-CE1 3.59Å; L252-F348 HydrophobicContact CB-CG 4.39Å; L252-F348 HydrophobicContact CB-CZ 4.33Å; L252-F348 HydrophobicContact CD1-CE1 4.39Å; L252-F348 HydrophobicContact CD1-CZ 4.34Å; L252-F348 HydrophobicContact CD2-CB 4.46Å; L252-F348 HydrophobicContact CD2-CD1 3.79Å; L252-F348 HydrophobicContact CD2-CD2 3.82Å; L252-F348 HydrophobicContact CD2-CE1 3.94Å; L252-F348 HydrophobicContact CD2-CE2 3.97Å; L252-F348 HydrophobicContact CD2-CG 3.74Å; L252-F348 HydrophobicContact CD2-CZ 4.03Å; L252-F348 HydrophobicContact CG-CD1 4.29Å; L252-F348 HydrophobicContact CG-CE1 4.18Å; L252-F348 HydrophobicContact CG-CZ 4.48Å; A263-F348 HydrophobicContact CB-CB 3.98Å; P265-F348 HydrophobicContact CB-CD1 4.15Å; P265-F348 HydrophobicContact CB-CE1 3.92Å; F340-F348 HydrophobicContact CD2-CE2 4.44Å; F340-F348 AromaticContact CD2-CZ 3.84Å; F340-F348 HydrophobicContact CD2-CZ 3.84Å; F340-F348 HydrophobicContact CE2-CE2 4.26Å; F340-F348 AromaticContact CE2-CZ 3.69Å; F340-F348 HydrophobicContact CE2-CZ 3.69Å; L341-F348 HydrophobicContact CD2-CE2 4.25Å; V346-F348 HydrophobicContact CG1-CE1 4.16Å; V346-F348 HydrophobicContact CG1-CE2 4.06Å; V346-F348 HydrophobicContact CG1-CZ 3.65Å
349S82.2Confident80.3Confident10 Ų1043.4 Ų43.47%0.0724%0.239CC..EExtended strand (participates in β ladder)trans-132.7179.1-177.171.60000111.1K264 R266 V351K264-S349 PolarHBondContact N-O 3.15Å; K264-S349 PolarHBondContact O-N 2.89Å; K264-S349 PolarHBondContact O-OG 3.39Å; R266-S349 WeakPolarHBondContact CG-OG 3.44Å; R266-S349 PolarHBondContact NE-OG 3Å; S349-V351 VanDerWaalsContact C-N 3.27Å; S349-V351 PolarHBondContact O-N 2.92Å
350C78.3Confident81.9Confident88 Ų8845.6 Ų45.660%0.59525%0.248SC*.EExtended strand (participates in β ladder)trans53.245.5175.3-59.90000112.5K264 A352K264-C350 HydrophobicContact CB-CB 4.18Å; C350-A352 PolarHBondContact O-N 2.83Å
351V82.5Confident82.8Confident44 Ų4445 Ų4527%0.26725%0.247SC..EExtended strand (participates in β ladder)trans-70.5118.3-174-1710000110.7L216 L224 I261 A263 S349 V353L216-V351 HydrophobicContact CD2-CG1 4.4Å; L216-V351 HydrophobicContact CD2-CG2 3.72Å; L224-V351 HydrophobicContact CD2-CG1 3.73Å; I261-V351 HydrophobicContact CG2-CG1 3.4Å; A263-V351 HydrophobicContact CB-CG2 4.15Å; S349-V351 VanDerWaalsContact C-N 3.27Å; S349-V351 PolarHBondContact O-N 2.92Å; V351-V353 HydrophobicContact CG1-CG2 4.19Å
352A86.1Confident83.8Confident32 Ų3249.3 Ų49.326%0.26427%0.267SS..EExtended strand (participates in β ladder)trans-105.6140.7169.500000109.8I261 C262 C350 Y354I261-A352 WeakPolarHBondContact CA-O 3.44Å; C262-A352 PolarHBondContact N-O 2.86Å; C262-A352 PolarHBondContact O-N 2.96Å; C350-A352 PolarHBondContact O-N 2.83Å; A352-Y354 HydrophobicContact CB-CE2 3.87Å
353V87.5Confident85Confident60 Ų6046.9 Ų46.936%0.36425%0.25SC..EExtended strand (participates in β ladder)trans-129.8125.4-174.1-173.90000109.8L224 I259 L260 V351L224-V353 HydrophobicContact CD1-CG1 4.29Å; L224-V353 HydrophobicContact CD1-CG2 3.86Å; L224-V353 HydrophobicContact CD2-CG2 3.83Å; L224-V353 HydrophobicContact CG-CG2 4.48Å; I259-V353 HydrophobicContact CB-CG1 3.98Å; I259-V353 HydrophobicContact CD1-CG1 3.92Å; I259-V353 HydrophobicContact CG1-CG1 4.46Å; I259-V353 HydrophobicContact CG2-CG1 4.15Å; L260-V353 WeakPolarHBondContact O-CA 3.27Å; V351-V353 HydrophobicContact CG1-CG2 4.19Å
354Y89.7Confident85.6Confident30 Ų3048.6 Ų48.612%0.11826%0.256CS..EExtended strand (participates in β ladder)trans-120.9122.5-174.7-55.6-83.3000110I259 L260 C262 A352 L356 C453 A456 F458I259-Y354 CarbonylContact C-O 3.6Å; I259-Y354 WeakPolarHBondContact CA-O 3.26Å; L260-Y354 PolarHBondContact N-O 3.1Å; L260-Y354 PolarHBondContact O-N 3.3Å; C262-Y354 HydrophobicContact CB-CE2 4.1Å; A352-Y354 HydrophobicContact CB-CE2 3.87Å; Y354-L356 PolarHBondContact O-N 2.74Å; Y354-C453 HydrophobicContact CD1-CB 3.78Å; Y354-C453 HydrophobicContact CG-CB 4.3Å; Y354-A456 HydrophobicContact CE1-CB 4.06Å; Y354-F458 AromaticContact CD2-CE1 3.97Å; Y354-F458 HydrophobicContact CD2-CE1 3.97Å; Y354-F458 HydrophobicContact CE1-CE1 4.35Å; Y354-F458 HydrophobicContact CE2-CD1 4.2Å; Y354-F458 AromaticContact CE2-CE1 3.54Å; Y354-F458 HydrophobicContact CE2-CE1 3.54Å; Y354-F458 HydrophobicContact CE2-CZ 4.21Å; Y354-F458 AromaticContact CZ-CD1 3.99Å; Y354-F458 AromaticContact CZ-CE1 3.74Å
355P88.9Confident86.4Confident24 Ų2444 Ų4416%0.15623%0.23CC..EExtended strand (participates in β ladder)trans-70.4117.9178.5-21.334.1000112.4H357 H358 P498P355-H357 VanDerWaalsContact C-N 3.27Å; P355-H357 VanDerWaalsContact CB-CE1 3.48Å; P355-H357 WeakPolarHBondContact CB-CE1 3.35Å; P355-H357 WeakPolarHBondContact CB-ND1 3.48Å; P355-H357 PolarHBondContact O-N 3.46Å; P355-H357 VanDerWaalsContact O-N 3.07Å; P355-H358 PolarHBondContact O-N 2.97Å; P355-P498 HydrophobicContact CB-CB 4.1Å; P355-P498 HydrophobicContact CB-CG 3.79Å; P355-P498 HydrophobicContact CG-CG 4.49Å
356L89.6Confident86.7Confident0 Ų046.1 Ų46.10%024%0.239CC..G310 helixtrans-57.4-33-169.1-83.3172.1000114.9I255 M256 D258 L260 Y354 H358 C359 A478 I479 V482I255-L356 HydrophobicContact CG2-CD1 4.28Å; M256-L356 WeakPolarHBondContact O-CD1 3.4Å; D258-L356 PolarHBondContact O-N 3.3Å; L260-L356 HydrophobicContact CB-CD2 3.9Å; L260-L356 HydrophobicContact CB-CG 4.31Å; Y354-L356 PolarHBondContact O-N 2.74Å; L356-H358 PolarHBondContact O-N 3.01Å; L356-H358 VanDerWaalsContact O-N 3.15Å; L356-C359 HydrophobicContact CD2-CB 4.49Å; L356-C359 WeakPolarHBondContact O-CB 3.35Å; L356-C359 PolarHBondContact O-N 3.47Å; L356-A478 HydrophobicContact CD1-CB 4.17Å; L356-I479 HydrophobicContact CD2-CG1 3.89Å; L356-V482 HydrophobicContact CB-CG2 4.36Å
357H86.7Confident86.5Confident26 Ų2647.5 Ų47.512%0.1225%0.248CC..G310 helixtrans-61.9-19.217770.9-46.9000115P355 V482 R486 P498P355-H357 VanDerWaalsContact C-N 3.27Å; P355-H357 VanDerWaalsContact CB-CE1 3.48Å; P355-H357 WeakPolarHBondContact CB-CE1 3.35Å; P355-H357 WeakPolarHBondContact CB-ND1 3.48Å; P355-H357 PolarHBondContact O-N 3.46Å; P355-H357 VanDerWaalsContact O-N 3.07Å; H357-V482 HydrophobicContact CB-CG1 3.71Å; H357-R486 PolarHBondContact CD2-NE 2.9Å; H357-P498 WeakPolarHBondContact CE1-CG 3.13Å
358H88.1Confident86.1Confident66 Ų6653.9 Ų53.931%0.30628%0.277SS..G310 helixtrans-98.4-1.2172.5-67.6-55.4000113.3P355 L356 R454P355-H358 PolarHBondContact O-N 2.97Å; L356-H358 PolarHBondContact O-N 3.01Å; L356-H358 VanDerWaalsContact O-N 3.15Å; H358-R454 HydrophobicContact CB-CG 3.96Å; H358-R454 PolarHBondContact CD2-NE 2.88Å; H358-R454 PolarHBondContact CD2-NH2 2.97Å; H358-R454 VanDerWaalsContact CD2-NH2 3.34Å; H358-R454 PolarHBondContact NE2-NE 3.49Å; H358-R454 PolarHBondContact NE2-NH2 3.3Å
359C91.5Very high85.3Confident1 Ų157.5 Ų57.51%0.00730%0.299CS..EExtended strand (participates in β ladder)trans-81.1146.4179.4-62.60000111.5L356 H452 I479 K483L356-C359 HydrophobicContact CD2-CB 4.49Å; L356-C359 WeakPolarHBondContact O-CB 3.35Å; L356-C359 PolarHBondContact O-N 3.47Å; C359-H452 CarbonylContact C-O 3.41Å; C359-H452 WeakPolarHBondContact CA-O 3.43Å; C359-I479 HydrophobicContact CB-CD1 3.69Å; C359-I479 HydrophobicContact CB-CG1 4.05Å; C359-K483 PolarHBondContact O-NZ 3.12Å
360H93Very high84.5Confident91 Ų9163.8 Ų63.842%0.42134%0.337SS..EExtended strand (participates in β ladder)trans-141.7154160.365.1-87000109.6H452H360-H452 AromaticContact CD2-CD2 3.77Å; H360-H452 WeakPolarHBondContact CE1-CB 3.34Å; H360-H452 AromaticContact CE1-CG 3.89Å; H360-H452 PolarHBondContact N-O 2.68Å; H360-H452 WeakPolarHBondContact NE2-CB 3.23Å; H360-H452 AromaticContact NE2-CD2 3.39Å; H360-H452 PolarHBondContact NE2-CD2 3.26Å; H360-H452 AromaticContact NE2-CG 3.58Å; H360-H452 PolarHBondContact O-N 3.24Å
361V92.8Very high83.7Confident20 Ų2061 Ų6112%0.12132%0.315CS..EExtended strand (participates in β ladder)trans-108.1136-178.4-176.60000108.5I363 F449 I472 L475 I479V361-I363 HydrophobicContact CG1-CG1 4.37Å; V361-F449 HydrophobicContact CG1-CB 4.42Å; V361-F449 HydrophobicContact CG1-CD2 4.02Å; V361-I472 HydrophobicContact CG1-CG1 4.31Å; V361-L475 HydrophobicContact CG2-CB 4.02Å; V361-L475 HydrophobicContact CG2-CD1 4.27Å; V361-I479 HydrophobicContact CG2-CD1 4.14Å
362Q91.6Very high82.4Confident91 Ų9165.3 Ų65.343%0.42534%0.336SS..EExtended strand (participates in β ladder)trans-117.7117.8172.2-177.1-178.9-1.900108.4H364 F449 T450 H452Q362-H364 PolarHBondContact NE2-CE1 2.81Å; Q362-F449 CarbonylContact O-C 3.58Å; Q362-F449 VanDerWaalsContact O-CA 3.3Å; Q362-F449 WeakPolarHBondContact O-CA 3.25Å; Q362-T450 PolarHBondContact N-O 3.23Å; Q362-T450 PolarHBondContact O-N 2.88Å; Q362-H452 PolarHBondContact OE1-NE2 2.82Å
363I90.8Very high80.2Confident49 Ų4972.3 Ų72.325%0.25136%0.363SS..EExtended strand (participates in β ladder)trans-93.2130.8-176.4-47.8175.1000108.6V361 F365 F371 I472V361-I363 HydrophobicContact CG1-CG1 4.37Å; I363-F365 HydrophobicContact CG2-CD1 3.75Å; I363-F365 HydrophobicContact CG2-CD2 4.28Å; I363-F365 HydrophobicContact CG2-CE1 3.67Å; I363-F365 HydrophobicContact CG2-CE2 4.18Å; I363-F365 HydrophobicContact CG2-CG 4.08Å; I363-F365 HydrophobicContact CG2-CZ 3.9Å; I363-F371 HydrophobicContact CD1-CB 4.11Å; I363-F371 HydrophobicContact CD1-CD2 3.59Å; I363-F371 HydrophobicContact CD1-CE2 4.37Å; I363-F371 HydrophobicContact CD1-CG 4.09Å; I363-I472 HydrophobicContact CD1-CD1 4.17Å; I363-I472 HydrophobicContact CD1-CG2 3.83Å; I363-I472 HydrophobicContact CG1-CD1 4.02Å; I363-I472 HydrophobicContact CG1-CG2 4.34Å; I363-I472 HydrophobicContact CG2-CD1 4.03Å
364H87.3Confident77.8Confident94 Ų9474.7 Ų74.744%0.43538%0.38SS..  trans-110.417.7-178.6-52.5-73.1000113.6Q362 N448 T450Q362-H364 PolarHBondContact NE2-CE1 2.81Å; H364-N448 WeakPolarHBondContact CA-O 3.41Å; H364-N448 HydrophobicContact CB-CB 4.46Å; H364-N448 WeakPolarHBondContact CB-O 3.32Å; H364-N448 PolarHBondContact N-O 2.77Å; H364-T450 PolarHBondContact NE2-OG1 2.91Å
365F85.4Confident75Confident31 Ų3180.5 Ų80.514%0.13641%0.411CS..SBendtrans-134.3167.717463.3-91.6000110.2I363 P367 Y447 N448 L465 A468 E469 I472I363-F365 HydrophobicContact CG2-CD1 3.75Å; I363-F365 HydrophobicContact CG2-CD2 4.28Å; I363-F365 HydrophobicContact CG2-CE1 3.67Å; I363-F365 HydrophobicContact CG2-CE2 4.18Å; I363-F365 HydrophobicContact CG2-CG 4.08Å; I363-F365 HydrophobicContact CG2-CZ 3.9Å; F365-P367 HydrophobicContact CE2-CB 4.16Å; F365-P367 VanDerWaalsContact O-CD 3.29Å; F365-P367 WeakPolarHBondContact O-CD 3.31Å; F365-Y447 HydrophobicContact CB-CD1 4.16Å; F365-Y447 HydrophobicContact CD2-CD1 4.1Å; F365-Y447 HydrophobicContact CG-CD1 4.03Å; F365-N448 WeakPolarHBondContact CD1-O 3.35Å; F365-L465 HydrophobicContact CD2-CD1 3.58Å; F365-L465 HydrophobicContact CE2-CD1 3.24Å; F365-L465 HydrophobicContact CZ-CD1 4.08Å; F365-A468 HydrophobicContact CE1-CB 3.99Å; F365-A468 HydrophobicContact CZ-CB 3.77Å; F365-E469 HydrophobicContact CE2-CG 4.18Å; F365-E469 HydrophobicContact CZ-CG 4.41Å; F365-I472 HydrophobicContact CE1-CD1 3.77Å; F365-I472 HydrophobicContact CZ-CD1 3.5Å
366K81.2Confident72.3Confident191 Ų19184.8 Ų84.883%0.8344%0.439SS*.  trans-87.6110.5174.6-174.3177.4-178.8179.80109.5
367P75.4Confident69.5Low40 Ų4093.2 Ų93.226%0.2648%0.478SS..  trans-76158.6178.434.1-37.6000111.8F365 T369 F371 E469F365-P367 HydrophobicContact CE2-CB 4.16Å; F365-P367 VanDerWaalsContact O-CD 3.29Å; F365-P367 WeakPolarHBondContact O-CD 3.31Å; P367-T369 WeakPolarHBondContact CB-O 3.14Å; P367-T369 VanDerWaalsContact CG-O 3.28Å; P367-T369 WeakPolarHBondContact CG-O 3.47Å; P367-F371 HydrophobicContact CB-CD2 3.82Å; P367-F371 HydrophobicContact CB-CE2 3.56Å; P367-F371 HydrophobicContact CG-CD2 3.89Å; P367-F371 HydrophobicContact CG-CE2 4.17Å; P367-E469 VanDerWaalsContact CA-OE1 3.24Å; P367-E469 WeakPolarHBondContact CA-OE1 3.45Å; P367-E469 WeakPolarHBondContact CB-OE1 3.29Å
368H73.8Confident66.7Low143 Ų14396.9 Ų96.966%0.66251%0.507SS*.SBendtrans-68.8-36.3164.6-67.6-58.1000111.9L465 E469H368-L465 WeakPolarHBondContact NE2-CD2 3.48Å; H368-E469 IonicContact CD2-OE1 3.64Å; H368-E469 IonicContact CD2-OE2 3.53Å; H368-E469 IonicContact CG-OE1 2.7Å; H368-E469 PolarHBondContact N-OE1 3.35Å
369T68.4Low63.9Low76 Ų7699.3 Ų99.347%0.46653%0.529SS..SBendtrans-101.5134.1-176.5-49.20000110.7P367 F371P367-T369 WeakPolarHBondContact CB-O 3.14Å; P367-T369 VanDerWaalsContact CG-O 3.28Å; P367-T369 WeakPolarHBondContact CG-O 3.47Å; T369-F371 WeakPolarHBondContact O-CD2 3.2Å; T369-F371 PolarHBondContact O-N 2.89Å; T369-F371 VanDerWaalsContact O-N 3.08Å
370T65.6Low60.9Low143 Ų143108.3 Ų108.388%0.87757%0.57SS**  trans-73.2100.7173.1-55.60000109.9
371F61.8Low57.7Low29 Ų29110.5 Ų110.513%0.12759%0.594CS.*  trans-73.1160173.7-68.5-65.2000112.4I363 P367 T369 Q373 E469 I472 E476I363-F371 HydrophobicContact CD1-CB 4.11Å; I363-F371 HydrophobicContact CD1-CD2 3.59Å; I363-F371 HydrophobicContact CD1-CE2 4.37Å; I363-F371 HydrophobicContact CD1-CG 4.09Å; P367-F371 HydrophobicContact CB-CD2 3.82Å; P367-F371 HydrophobicContact CB-CE2 3.56Å; P367-F371 HydrophobicContact CG-CD2 3.89Å; P367-F371 HydrophobicContact CG-CE2 4.17Å; T369-F371 WeakPolarHBondContact O-CD2 3.2Å; T369-F371 PolarHBondContact O-N 2.89Å; T369-F371 VanDerWaalsContact O-N 3.08Å; F371-Q373 PolarHBondContact O-N 3.18Å; F371-E469 HydrophobicContact CE2-CB 4.5Å; F371-E469 HydrophobicContact CE2-CG 4.13Å; F371-E469 HydrophobicContact CZ-CB 4.01Å; F371-E469 HydrophobicContact CZ-CG 4.13Å; F371-I472 HydrophobicContact CD1-CG2 3.92Å; F371-I472 HydrophobicContact CD2-CG2 4.03Å; F371-I472 HydrophobicContact CE1-CG2 3.94Å; F371-I472 HydrophobicContact CE2-CG2 4.02Å; F371-I472 HydrophobicContact CG-CG2 3.98Å; F371-I472 HydrophobicContact CZ-CB 4.31Å; F371-I472 HydrophobicContact CZ-CG2 3.99Å; F371-E476 WeakPolarHBondContact CB-OE2 3.38Å
372L55.1Low54.6Low135 Ų135118.2 Ų118.271%0.70763%0.629SS**  trans-76.595.9-174.6-70.9172.1000110.9
373Q40.6Very low51.5Low179 Ų179119.7 Ų119.784%0.83665%0.647SS**PPolyproline II helixtrans-61.7136.5174.7-74.4-167.2-26.300111.8F371 I375F371-Q373 PolarHBondContact O-N 3.18Å; Q373-I375 PolarHBondContact O-N 2.85Å
374P37.2Very low48.5Very low109 Ų109125.2 Ų125.271%0.70868%0.677SS**PPolyproline II helixtrans-67.1124.8174.4-16.730000111.2
375I29.7Very low45.8Very low153 Ų153129.1 Ų129.179%0.78570%0.695SS**PPolyproline II helixtrans-66.5130.6166.2-59.1172.4000107.9Q373 E377Q373-I375 PolarHBondContact O-N 2.85Å; I375-E377 PolarHBondContact O-N 2.91Å
376P32.2Very low43Very low114 Ų114134.6 Ų134.674%0.7473%0.726SS**PPolyproline II helixtrans-64.2119.1173.6-19.331.9000110.8S378P376-S378 PolarHBondContact O-N 3.4Å; P376-S378 VanDerWaalsContact O-N 3.11Å
377E32.5Very low40.5Very low176 Ų176133 Ų13382%0.82273%0.727SS**  trans-73.8100.2173.6-70.6-177.6164.800109.5I375I375-E377 PolarHBondContact O-N 2.91Å
378S25.9Very low38.1Very low104 Ų104136.6 Ų136.673%0.72775%0.753SS**  trans-67.1142.916655.10000110.7P376P376-S378 PolarHBondContact O-N 3.4Å; P376-S378 VanDerWaalsContact O-N 3.11Å
379P31.2Very low35.8Very low116 Ų116134.9 Ų134.975%0.75375%0.752SS**  trans-73.9149.7-174.130.4-35.5000113.7
380E26.6Very low33.8Very low190 Ų190140.7 Ų140.789%0.88877%0.771SS**  trans55.9100.2157.9-62-175.3145.100119.1
381C26.2Very low32Very low137 Ų137140.9 Ų140.993%0.92677%0.766SS**  trans-144.9142.3145.3-115.70000110.5
382Q27.7Very low30.2Very low182 Ų182144.1 Ų144.185%0.8579%0.792SS**  trans-75.5156.3-167.8-68.8-171.8-0.100113.8N384Q382-N384 PolarHBondContact O-N 3.43Å
383P26.7Very low29Very low123 Ų123143.7 Ų143.780%0.79980%0.797SS**  trans-81.3104.8-173.132.1-34.3000112.3
384N29.1Very low28.4Very low165 Ų165141.3 Ų141.388%0.88279%0.794SS**  trans-85.4145163.9-85.7-17.5000111.6Q382Q382-N384 PolarHBondContact O-N 3.43Å
385Q29Very low27.9Very low175 Ų175141.8 Ų141.882%0.81880%0.8SS**SBendtrans-75.4161.4-168.8-64169.1-9.600112.7
386N27.2Very low27.8Very low147 Ų147142.2 Ų142.279%0.78680%0.802SS**  trans67.992.2172.1-55.4-19.5000116.4
387N28.8Very low27.5Very low157 Ų157139.7 Ų139.784%0.8480%0.797SS**  trans-166.7109.2136.1-97.5-28.1000110.9V389N387-V389 HydrophobicContact CB-CG2 4.37Å; N387-V389 PolarHBondContact O-N 2.99Å
388S25Very low27Very low115 Ų115135.1 Ų135.180%0.80480%0.797SS**  trans-85.183.1174.155.10000110.7F390S388-F390 PolarHBondContact O-N 2.85Å
389V25.8Very low27Very low108 Ų108138.5 Ų138.566%0.65580%0.799SS**  trans-86.8100.9175.6-171.30000109.7N387 I391N387-V389 HydrophobicContact CB-CG2 4.37Å; N387-V389 PolarHBondContact O-N 2.99Å; V389-I391 HydrophobicContact CG1-CD1 4.47Å; V389-I391 HydrophobicContact CG1-CG1 3.76Å; V389-I391 PolarHBondContact O-N 3.02Å
390F25.2Very low26.6Very low198 Ų198137.8 Ų137.887%0.86880%0.797SS**  trans-71.9116159.5-85.7-94.5000108.2S388S388-F390 PolarHBondContact O-N 2.85Å
391I27.8Very low26.6Very low147 Ų147135.9 Ų135.975%0.75478%0.781SS**  trans-98.4105.5171.8-57.1179.4000107.6V389V389-I391 HydrophobicContact CG1-CD1 4.47Å; V389-I391 HydrophobicContact CG1-CG1 3.76Å; V389-I391 PolarHBondContact O-N 3.02Å
392S24.1Very low26.6Very low97 Ų97138 Ų13868%0.67878%0.777SS**PPolyproline II helixtrans-63.7135.9166.2-59.40000109.5V394S392-V394 PolarHBondContact O-N 2.73Å
393P30.3Very low26.6Very low125 Ų125135.2 Ų135.281%0.81277%0.773SS**PPolyproline II helixtrans-64.7126.2171.227.7-32.5000109.2
394V28.6Very low26.5Very low129 Ų129134 Ų13478%0.78277%0.773SS**PPolyproline II helixtrans-66.9132.4-179.6174.30000110S392 I396S392-V394 PolarHBondContact O-N 2.73Å; V394-I396 PolarHBondContact O-N 3.1Å
395S25.4Very low26.4Very low119 Ų119129.1 Ų129.183%0.83275%0.752SS**  trans-62103.5174.7-50.80000111.1
396I28.3Very low26.3Very low162 Ų162128 Ų12883%0.83176%0.758SS**PPolyproline II helixtrans-81.2122.9163-63.7179.3000107.1V394V394-I396 PolarHBondContact O-N 3.1Å
397G25.2Very low26.4Very low61 Ų61123.7 Ų123.763%0.62974%0.738SS**PPolyproline II helixtrans-58.4150.3-176.200000113.2F399G397-F399 PolarHBondContact O-N 2.89Å
398G22.7Very low26.6Very low80 Ų80118.9 Ų118.983%0.82571%0.712SS**PPolyproline II helixtrans-60.5131.9-168.100000114.5
399F25.5Very low26.9Very low176 Ų176117.4 Ų117.477%0.77270%0.697SS**  trans-121.4102.4154.3-96.3-82.2000108.6G397 R401G397-F399 PolarHBondContact O-N 2.89Å; F399-R401 PolarHBondContact O-N 3.49Å
400S23.9Very low27.5Very low101 Ų101114.8 Ų114.871%0.70668%0.677SS**  trans-63.1118.4163.5176.90000108.6
401R27.2Very low27.9Very low149 Ų149112.3 Ų112.356%0.56267%0.673SS**  trans-138.7116.2167.9-72.2-169.3176.5-172.8-4109.5F399 T403 N466F399-R401 PolarHBondContact O-N 3.49Å; R401-T403 PolarHBondContact O-N 3.44Å; R401-N466 PolarHBondContact NH1-OD1 3.21Å
402H25.1Very low28Very low182 Ų182109.6 Ų109.684%0.84366%0.657SS**  trans-63.7111.7-174.8-55.3-81.8000112
403T28Very low28.2Very low123 Ų123113.8 Ų113.876%0.75566%0.659SS**  trans-83.8121.8157.953.10000109R401 S405R401-T403 PolarHBondContact O-N 3.44Å; T403-S405 PolarHBondContact O-N 3.31Å
404A24.7Very low28Very low97 Ų97112.8 Ų112.880%0.80266%0.662SS**SBendtrans-68.1103-172.800000113.2
405S27.5Very low27.8Very low64 Ų64117.5 Ų117.545%0.44867%0.667SS.*SBendtrans175.188.8157.2-76.70000106.1T403 P407T403-S405 PolarHBondContact O-N 3.31Å; S405-P407 WeakPolarHBondContact O-CD 3.25Å; S405-P407 VanDerWaalsContact O-CG 3.25Å; S405-P407 WeakPolarHBondContact O-CG 3.45Å
406T25.3Very low27.8Very low152 Ų152119.9 Ų119.993%0.93367%0.665SS**  trans-55.4105-172.6-42.60000111.8
407P29.4Very low27.6Very low56 Ų56116.8 Ų116.836%0.36466%0.658SS.*  trans-93.1173175.210.612.6000108.9S405 V409S405-P407 WeakPolarHBondContact O-CD 3.25Å; S405-P407 VanDerWaalsContact O-CG 3.25Å; S405-P407 WeakPolarHBondContact O-CG 3.45Å; P407-V409 HydrophobicContact CB-CG2 4.03Å; P407-V409 HydrophobicContact CG-CG2 3.77Å; P407-V409 PolarHBondContact O-N 2.89Å
408L32.8Very low27.5Very low56 Ų56121.3 Ų121.329%0.29367%0.673SS.*  trans-75.567.5171.3-64.9176.7000110.8Y49 I88 I91Y49-L408 HydrophobicContact CD1-CD1 3.63Å; Y49-L408 HydrophobicContact CE1-CD1 4Å; Y49-L408 HydrophobicContact CG-CD1 4.4Å; I88-L408 HydrophobicContact CD1-CD1 3.62Å; I88-L408 HydrophobicContact CD1-CD2 3.76Å; I88-L408 HydrophobicContact CD1-CG 4.37Å; I91-L408 HydrophobicContact CD1-CD1 4.07Å; I91-L408 HydrophobicContact CG2-CD1 4.42Å
409V32.4Very low27.5Very low83 Ų83122 Ų12250%0.50367%0.665SS.*  trans-94.4119.1174.7-177.80000108.8P407 D411P407-V409 HydrophobicContact CB-CG2 4.03Å; P407-V409 HydrophobicContact CG-CG2 3.77Å; P407-V409 PolarHBondContact O-N 2.89Å; V409-D411 VanDerWaalsContact C-N 3.32Å; V409-D411 PolarHBondContact O-N 2.92Å; V409-D411 VanDerWaalsContact O-N 3.1Å
410F37.4Very low27.4Very low54 Ų54120.3 Ų120.324%0.23767%0.67CS.*  trans-83.475.9174.8-59.6-69.1000111I91 Q92 P95 N197I91-F410 HydrophobicContact CB-CZ 4.45Å; I91-F410 HydrophobicContact CG2-CE2 3.84Å; I91-F410 HydrophobicContact CG2-CZ 3.55Å; I91-F410 VanDerWaalsContact O-CZ 3.31Å; I91-F410 WeakPolarHBondContact O-CZ 3.43Å; Q92-F410 HydrophobicContact CG-CE1 4.36Å; P95-F410 HydrophobicContact CB-CD1 4.21Å; P95-F410 HydrophobicContact CB-CG 4.27Å; P95-F410 HydrophobicContact CG-CB 4.07Å; P95-F410 HydrophobicContact CG-CD1 3.46Å; P95-F410 VanDerWaalsContact CG-CD1 3.46Å; P95-F410 HydrophobicContact CG-CD2 3.54Å; P95-F410 HydrophobicContact CG-CE1 3.63Å; P95-F410 HydrophobicContact CG-CE2 3.71Å; P95-F410 HydrophobicContact CG-CG 3.4Å; P95-F410 VanDerWaalsContact CG-CG 3.4Å; P95-F410 HydrophobicContact CG-CZ 3.74Å; N197-F410 VanDerWaalsContact OD1-CD2 3.29Å; N197-F410 WeakPolarHBondContact OD1-CD2 3.42Å
411D33.5Very low27.3Very low146 Ų146120.7 Ų120.778%0.78167%0.667SS**  trans-93105.7162.9-79.9-31.6000109.1V409V409-D411 VanDerWaalsContact C-N 3.32Å; V409-D411 PolarHBondContact O-N 2.92Å; V409-D411 VanDerWaalsContact O-N 3.1Å
412E30.7Very low27Very low89 Ų89124.2 Ų124.242%0.41668%0.681SS.*  trans-109.772.2-168.3-167.5160.8-131.600111.5L99L99-E412 VanDerWaalsContact CD1-CD 3.45Å; L99-E412 HydrophobicContact CD1-CG 4.33Å; L99-E412 VanDerWaalsContact CD1-OE1 3.31Å; L99-E412 WeakPolarHBondContact CD1-OE1 3.5Å; L99-E412 WeakPolarHBondContact CD2-OE2 3.36Å; L99-E412 VanDerWaalsContact CG-OE2 3.32Å; L99-E412 WeakPolarHBondContact CG-OE2 3.23Å
413Y28.3Very low27Very low185 Ų185123.2 Ų123.273%0.72568%0.681SS**  trans-149.577.6165-81.3-68000111.1
414A26.4Very low26.7Very low104 Ų104126.4 Ų126.486%0.8668%0.684SS**  trans-150.181.3166.600000110.5E416A414-E416 PolarHBondContact O-N 3.45Å
415Y24.3Very low26.8Very low229 Ų229126.4 Ų126.490%0.89868%0.678SS**  trans-80.7106.2165.8-150-88.9000107.3
416E25.4Very low26.6Very low168 Ų168130.3 Ų130.379%0.78569%0.694SS**  trans174128.3135.1-97.2176.4179.200113.7A414A414-E416 PolarHBondContact O-N 3.45Å
417S24.5Very low26.8Very low98 Ų98128.2 Ų128.269%0.68569%0.686SS**  trans54.293.4138.1-56.40000119.5S419S417-S419 PolarHBondContact O-N 3.16Å
418T21.4Very low26.6Very low155 Ų155135 Ų13595%0.95171%0.71SS**  trans-40.3109.9145.640.30000112.5
419S24.5Very low26.4Very low94 Ų94139.8 Ų139.866%0.65773%0.734SS**  trans-140.4116.2156.262.20000110.6S417 V421S417-S419 PolarHBondContact O-N 3.16Å; S419-V421 PolarHBondContact O-N 3.44Å; S419-V421 VanDerWaalsContact O-N 3.12Å
420V22.1Very low26.1Very low142 Ų142141 Ų14186%0.86174%0.742SS**  trans-75.697.4176.7176.20000108.4
421V21.9Very low25.5Very low108 Ų108148.1 Ų148.166%0.65577%0.773SS**  trans-109.8104.1172.1-177.40000109.8S419 L423S419-V421 PolarHBondContact O-N 3.44Å; S419-V421 VanDerWaalsContact O-N 3.12Å; V421-L423 HydrophobicContact CG1-CG 4.25Å; V421-L423 PolarHBondContact O-N 3.3Å
422R21.2Very low25.4Very low223 Ų223148.3 Ų148.384%0.84277%0.774SS**  trans-67.7121.2163.5-74.7177.8170.7122.1-4.1108.7
423L25.3Very low25.4Very low162 Ų162152.3 Ų152.385%0.84879%0.793SS**  trans-115.795.2157-79.4168.4000109.4V421V421-L423 HydrophobicContact CG1-CG 4.25Å; V421-L423 PolarHBondContact O-N 3.3Å
424K22.1Very low25.5Very low189 Ų189151.3 Ų151.382%0.82280%0.8SS**  trans-72.3165.4151.9-76.9-177170.3-174.10109
425S26.1Very low25.8Very low97 Ų97153.5 Ų153.568%0.67880%0.798SS**  trans112.689.7153.180.50000115.3
426D23.9Very low25.9Very low146 Ų146147.8 Ų147.878%0.78179%0.79SS**  27.4108.9114.8-46.7-38.4000116.3
427S28.8Very low26.3Very low109 Ų109145 Ų14576%0.76278%0.784SS**  trans-128.196.2151.648.70000108.9I429S427-I429 PolarHBondContact O-N 2.84Å
428F25Very low26.5Very low198 Ų198148.9 Ų148.987%0.86879%0.794SS**  trans-60.6121.8162.7-77.9-105.2000107.9
429I28.3Very low27Very low156 Ų156150.5 Ų150.580%0.879%0.788SS**  trans-94.1110.4163.3-61.9-178.4000106.7S427S427-I429 PolarHBondContact O-N 2.84Å
430T27Very low27.3Very low110 Ų110154.7 Ų154.768%0.67580%0.796SS**PPolyproline II helixtrans-64.5137.6177.942.70000111.1N432T430-N432 PolarHBondContact O-N 3.07Å
431F24.7Very low27.9Very low202 Ų202153.6 Ų153.689%0.88679%0.792SS**PPolyproline II helixtrans-64.6121.9164.5-69.8-95.9000108.9
432N31.5Very low28.2Very low150 Ų150156.6 Ų156.680%0.80280%0.799SS**PPolyproline II helixtrans-101.4117.9154.3-75.2-8.7000106.6T430T430-N432 PolarHBondContact O-N 3.07Å
433E29.7Very low29.1Very low173 Ų173151.4 Ų151.481%0.80879%0.794SS**PPolyproline II helixtrans-70.9172.3162.7-64.2177.7130.200109.1
434D30.9Very low30.2Very low164 Ų164151.4 Ų151.488%0.87779%0.794SS**  trans68.180.5175.3-52.9-25.7000117.9
435D32.7Very low32.1Very low151 Ų151149.7 Ų149.781%0.80779%0.787SS**  -156.5138.3111.2-157.8-2.2000111.6
436C27Very low34.5Very low109 Ų109150.7 Ų150.774%0.73678%0.781SS**  trans-112.490.5-171.6-169.70000111.2
437T33.2Very low37.5Very low109 Ų109146.2 Ų146.267%0.66975%0.753SS**  trans-125.6119.916848.80000112.2K439T437-K439 PolarHBondContact O-N 3.23Å; T437-K439 VanDerWaalsContact O-N 3.12Å
438M28.6Very low40.4Very low180 Ų180142.7 Ų142.789%0.88773%0.726SS**  trans-58.9109.6-177.7-71.5-77153.300111.8
439K33.1Very low43.7Very low188 Ų188133.3 Ų133.382%0.81769%0.685SS**  trans-113.1127.4163.5-72.7-176.5179175.50109.3T437T437-K439 PolarHBondContact O-N 3.23Å; T437-K439 VanDerWaalsContact O-N 3.12Å
440H29.8Very low46.7Very low182 Ų182126.2 Ų126.284%0.84365%0.649SS**PPolyproline II helixtrans-56.7141.9175.2-81-93.7000110.8E442H440-E442 PolarHBondContact O-N 2.9Å
441P34.4Very low49.9Very low119 Ų119121 Ų12177%0.77362%0.617SS**PPolyproline II helixtrans-67.6125172.828.3-32.9000109.7
442E28.5Very low53.1Low171 Ų171112.8 Ų112.880%0.79958%0.581SS**PPolyproline II helixtrans-61.5141.7168-72.5-159.4155.500110H440 L444H440-E442 PolarHBondContact O-N 2.9Å; E442-L444 PolarHBondContact O-N 2.96Å
443P40.3Very low55.9Low114 Ų114106 Ų10674%0.7455%0.546SS*.PPolyproline II helixtrans-66.6122.417627.7-33.2000109.6K445P443-K445 PolarHBondContact O-N 3.32Å; P443-K445 VanDerWaalsContact O-N 3.07Å
444L49.1Very low58.6Low162 Ų162104.7 Ų104.785%0.84853%0.533SS*.PPolyproline II helixtrans-50.7116.8169.4-83.7131.6000109.3E442 E446E442-L444 PolarHBondContact O-N 2.96Å; L444-E446 PolarHBondContact O-N 2.91Å
445K61.6Low61.1Low153 Ų153104.9 Ų104.967%0.66553%0.534SS*.  trans-72.492.3177.7-71.5175-178.7164.80109.2P443 Y447P443-K445 PolarHBondContact O-N 3.32Å; P443-K445 VanDerWaalsContact O-N 3.07Å; K445-Y447 HydrophobicContact CB-CE1 4.47Å; K445-Y447 HydrophobicContact CB-CE2 4.39Å; K445-Y447 WeakPolarHBondContact O-CD2 3.48Å; K445-Y447 WeakPolarHBondContact O-CE2 3.24Å
446E76.7Confident63.7Low118 Ų11899.7 Ų99.755%0.55151%0.512SS*.  trans-76.9122.3173.6-65.5-169.3160.900110.7L444 N448 V461L444-E446 PolarHBondContact O-N 2.91Å; E446-N448 WeakPolarHBondContact CB-OD1 3.41Å; E446-N448 PolarHBondContact O-N 2.73Å; E446-V461 HydrophobicContact CB-CG1 4.14Å; E446-V461 HydrophobicContact CG-CG1 4.16Å
447Y87.7Confident66.7Low52 Ų5298.4 Ų98.420%0.20450%0.498CS..EExtended strand (participates in β ladder)trans-94.397.5179.9-57.2-75.2000109.4F365 K445 N462 L465F365-Y447 HydrophobicContact CB-CD1 4.16Å; F365-Y447 HydrophobicContact CD2-CD1 4.1Å; F365-Y447 HydrophobicContact CG-CD1 4.03Å; K445-Y447 HydrophobicContact CB-CE1 4.47Å; K445-Y447 HydrophobicContact CB-CE2 4.39Å; K445-Y447 WeakPolarHBondContact O-CD2 3.48Å; K445-Y447 WeakPolarHBondContact O-CE2 3.24Å; Y447-N462 PolarHBondContact N-O 3.03Å; Y447-N462 PolarHBondContact O-N 2.99Å; Y447-N462 VanDerWaalsContact O-N 3.09Å; Y447-L465 HydrophobicContact CD1-CB 4.09Å; Y447-L465 HydrophobicContact CD1-CD1 3.69Å; Y447-L465 HydrophobicContact CD1-CG 4.35Å; Y447-L465 HydrophobicContact CD2-CB 4.03Å; Y447-L465 HydrophobicContact CE1-CB 3.91Å; Y447-L465 HydrophobicContact CE1-CD1 3.96Å; Y447-L465 HydrophobicContact CE1-CD2 4.07Å; Y447-L465 HydrophobicContact CE1-CG 4.21Å; Y447-L465 HydrophobicContact CE2-CB 3.84Å; Y447-L465 HydrophobicContact CG-CB 4.15Å; Y447-L465 HydrophobicContact CG-CD1 4.22Å
448N89.4Confident69.4Low36 Ų3693.3 Ų93.319%0.19347%0.467CS..EExtended strand (participates in β ladder)trans-107.9138.5-166.2-62.4-12.6000112H364 F365 E446 T459 I460 V461H364-N448 WeakPolarHBondContact CA-O 3.41Å; H364-N448 HydrophobicContact CB-CB 4.46Å; H364-N448 WeakPolarHBondContact CB-O 3.32Å; H364-N448 PolarHBondContact N-O 2.77Å; F365-N448 WeakPolarHBondContact CD1-O 3.35Å; E446-N448 WeakPolarHBondContact CB-OD1 3.41Å; E446-N448 PolarHBondContact O-N 2.73Å; N448-T459 HydrophobicContact CB-CG2 4.37Å; N448-I460 WeakPolarHBondContact CA-O 3.49Å; N448-V461 WeakPolarHBondContact OD1-CA 3.49Å; N448-V461 WeakPolarHBondContact OD1-CG1 3.49Å; N448-V461 WeakPolarHBondContact OD1-CG2 3.45Å
449F92.7Very high72.4Confident0 Ų086.6 Ų86.60%044%0.436CS..EExtended strand (participates in β ladder)trans-142.5143.9172.965.6-84.2000111.3V361 Q362 V451 T459 I460 W471 I472 L475V361-F449 HydrophobicContact CG1-CB 4.42Å; V361-F449 HydrophobicContact CG1-CD2 4.02Å; Q362-F449 CarbonylContact O-C 3.58Å; Q362-F449 VanDerWaalsContact O-CA 3.3Å; Q362-F449 WeakPolarHBondContact O-CA 3.25Å; F449-V451 HydrophobicContact CD2-CG2 4.22Å; F449-V451 HydrophobicContact CE2-CG2 4.09Å; F449-T459 WeakPolarHBondContact O-CA 3.25Å; F449-I460 HydrophobicContact CD1-CB 4.33Å; F449-I460 HydrophobicContact CD1-CG2 4.45Å; F449-I460 HydrophobicContact CE1-CB 3.88Å; F449-I460 HydrophobicContact CE1-CG2 3.67Å; F449-I460 HydrophobicContact CE2-CB 4.12Å; F449-I460 HydrophobicContact CE2-CD1 3.7Å; F449-I460 HydrophobicContact CE2-CG1 4.41Å; F449-I460 HydrophobicContact CZ-CB 3.77Å; F449-I460 HydrophobicContact CZ-CD1 3.66Å; F449-I460 HydrophobicContact CZ-CG1 4.31Å; F449-I460 HydrophobicContact CZ-CG2 3.75Å; F449-I460 PolarHBondContact N-O 3.01Å; F449-I460 PolarHBondContact O-N 3.37Å; F449-W471 HydrophobicContact CE1-CB 4.36Å; F449-W471 HydrophobicContact CZ-CB 3.89Å; F449-I472 HydrophobicContact CB-CD1 4.21Å; F449-I472 HydrophobicContact CB-CG1 4.41Å; F449-I472 HydrophobicContact CD1-CD1 4.21Å; F449-I472 HydrophobicContact CD1-CG1 4.21Å; F449-I472 HydrophobicContact CD2-CG1 4.19Å; F449-I472 HydrophobicContact CG-CD1 4.19Å; F449-I472 HydrophobicContact CG-CG1 4.03Å; F449-L475 HydrophobicContact CE2-CD1 3.81Å
450T92.7Very high75.2Confident8 Ų877.6 Ų77.65%0.04940%0.397CS..EExtended strand (participates in β ladder)trans-105.6129.1178.6-57.80000110.2Q362 H364 N457 F458 T459Q362-T450 PolarHBondContact N-O 3.23Å; Q362-T450 PolarHBondContact O-N 2.88Å; H364-T450 PolarHBondContact NE2-OG1 2.91Å; T450-N457 HydrophobicContact CG2-CB 3.99Å; T450-F458 WeakPolarHBondContact CA-O 3.3Å; T450-T459 PolarHBondContact OG1-OG1 3.1Å
451V93.2Very high78.1Confident0 Ų069.5 Ų69.50%036%0.36CS..EExtended strand (participates in β ladder)trans-96.4118.9168.6-176.20000108.1L260 F449 N457 F458 L475L260-V451 HydrophobicContact CD2-CG1 3.82Å; F449-V451 HydrophobicContact CD2-CG2 4.22Å; F449-V451 HydrophobicContact CE2-CG2 4.09Å; V451-N457 CarbonylContact O-C 3.6Å; V451-N457 VanDerWaalsContact O-CA 3.28Å; V451-N457 WeakPolarHBondContact O-CA 3.42Å; V451-F458 HydrophobicContact CB-CD1 4.5Å; V451-F458 HydrophobicContact CB-CE1 4.04Å; V451-F458 HydrophobicContact CB-CE2 4.17Å; V451-F458 HydrophobicContact CB-CZ 3.86Å; V451-F458 HydrophobicContact CG1-CE1 4.21Å; V451-F458 HydrophobicContact CG1-CZ 4.16Å; V451-F458 HydrophobicContact CG2-CE2 4.3Å; V451-F458 HydrophobicContact CG2-CZ 4.31Å; V451-F458 PolarHBondContact N-O 3.39Å; V451-F458 PolarHBondContact O-N 3.37Å; V451-L475 HydrophobicContact CG2-CD1 4Å
452H92.5Very high80.6Confident30 Ų3064.1 Ų64.114%0.13933%0.325CS..EExtended strand (participates in β ladder)trans-103.3139.6175.4-62.7-84.4000109.7C359 H360 Q362 N457C359-H452 CarbonylContact C-O 3.41Å; C359-H452 WeakPolarHBondContact CA-O 3.43Å; H360-H452 AromaticContact CD2-CD2 3.77Å; H360-H452 WeakPolarHBondContact CE1-CB 3.34Å; H360-H452 AromaticContact CE1-CG 3.89Å; H360-H452 PolarHBondContact N-O 2.68Å; H360-H452 WeakPolarHBondContact NE2-CB 3.23Å; H360-H452 AromaticContact NE2-CD2 3.39Å; H360-H452 PolarHBondContact NE2-CD2 3.26Å; H360-H452 AromaticContact NE2-CG 3.58Å; H360-H452 PolarHBondContact O-N 3.24Å; Q362-H452 PolarHBondContact OE1-NE2 2.82Å; H452-N457 HydrophobicContact CB-CB 4.4Å; H452-N457 WeakPolarHBondContact ND1-CB 3.2Å; H452-N457 PolarHBondContact ND1-ND2 2.94Å
453C89.7Confident83.2Confident8 Ų859.2 Ų59.25%0.05432%0.32CS..EExtended strand (participates in β ladder)trans-146100.7175.6-175.40000110Y354 D455 A456Y354-C453 HydrophobicContact CD1-CB 3.78Å; Y354-C453 HydrophobicContact CG-CB 4.3Å; C453-D455 PolarHBondContact O-N 2.95Å; C453-A456 CarbonylContact C-O 3.59Å; C453-A456 PolarHBondContact N-O 2.93Å; C453-A456 PolarHBondContact O-N 2.81Å; C453-A456 VanDerWaalsContact O-N 3.15Å
454R86.4Confident85.5Confident144 Ų14457.6 Ų57.654%0.54331%0.305SS..THydrogen-bonded Turntrans51.1-127.3-167.7-53.8-178.3179.8172.4-1.7109.9H358 A456H358-R454 HydrophobicContact CB-CG 3.96Å; H358-R454 PolarHBondContact CD2-NE 2.88Å; H358-R454 PolarHBondContact CD2-NH2 2.97Å; H358-R454 VanDerWaalsContact CD2-NH2 3.34Å; H358-R454 PolarHBondContact NE2-NE 3.49Å; H358-R454 PolarHBondContact NE2-NH2 3.3Å; R454-A456 VanDerWaalsContact C-N 3.27Å; R454-A456 PolarHBondContact O-N 2.89Å
455D84.2Confident87.2Confident168 Ų16850.9 Ų50.990%0.89827%0.27SS*.THydrogen-bonded Turntrans-79.2-5.3-176.7-36.5-65.1000113.7C453C453-D455 PolarHBondContact O-N 2.95Å
456A86.7Confident88.5Confident42 Ų4246.9 Ų46.935%0.34726%0.256SS..EExtended strand (participates in β ladder)trans-106.3136.5-179.300000111.1Y354 C453 R454Y354-A456 HydrophobicContact CE1-CB 4.06Å; C453-A456 CarbonylContact C-O 3.59Å; C453-A456 PolarHBondContact N-O 2.93Å; C453-A456 PolarHBondContact O-N 2.81Å; C453-A456 VanDerWaalsContact O-N 3.15Å; R454-A456 VanDerWaalsContact C-N 3.27Å; R454-A456 PolarHBondContact O-N 2.89Å
457N90Very high89Confident82 Ų8244.4 Ų44.444%0.43925%0.245SC..EExtended strand (participates in β ladder)trans-136.4165.6172.364.130.4000112.1T450 V451 H452T450-N457 HydrophobicContact CG2-CB 3.99Å; V451-N457 CarbonylContact O-C 3.6Å; V451-N457 VanDerWaalsContact O-CA 3.28Å; V451-N457 WeakPolarHBondContact O-CA 3.42Å; H452-N457 HydrophobicContact CB-CB 4.4Å; H452-N457 WeakPolarHBondContact ND1-CB 3.2Å; H452-N457 PolarHBondContact ND1-ND2 2.94Å
458F90.8Very high89.1Confident2 Ų242 Ų421%0.00924%0.235CC..EExtended strand (participates in β ladder)trans-157.5142169.458.1-82.8000111.9K240 L253 L260 Y354 T450 V451 I460K240-F458 HydrophobicContact CD-CB 3.86Å; K240-F458 HydrophobicContact CD-CD2 4Å; K240-F458 HydrophobicContact CD-CG 4.15Å; K240-F458 HydrophobicContact CG-CB 4.28Å; K240-F458 HydrophobicContact CG-CD2 4.44Å; K240-F458 VanDerWaalsContact NZ-CB 3.26Å; L253-F458 HydrophobicContact CD1-CE2 4.15Å; L253-F458 HydrophobicContact CD1-CZ 4.19Å; L260-F458 HydrophobicContact CD2-CZ 4.01Å; Y354-F458 AromaticContact CD2-CE1 3.97Å; Y354-F458 HydrophobicContact CD2-CE1 3.97Å; Y354-F458 HydrophobicContact CE1-CE1 4.35Å; Y354-F458 HydrophobicContact CE2-CD1 4.2Å; Y354-F458 AromaticContact CE2-CE1 3.54Å; Y354-F458 HydrophobicContact CE2-CE1 3.54Å; Y354-F458 HydrophobicContact CE2-CZ 4.21Å; Y354-F458 AromaticContact CZ-CD1 3.99Å; Y354-F458 AromaticContact CZ-CE1 3.74Å; T450-F458 WeakPolarHBondContact CA-O 3.3Å; V451-F458 HydrophobicContact CB-CD1 4.5Å; V451-F458 HydrophobicContact CB-CE1 4.04Å; V451-F458 HydrophobicContact CB-CE2 4.17Å; V451-F458 HydrophobicContact CB-CZ 3.86Å; V451-F458 HydrophobicContact CG1-CE1 4.21Å; V451-F458 HydrophobicContact CG1-CZ 4.16Å; V451-F458 HydrophobicContact CG2-CE2 4.3Å; V451-F458 HydrophobicContact CG2-CZ 4.31Å; V451-F458 PolarHBondContact N-O 3.39Å; V451-F458 PolarHBondContact O-N 3.37Å; F458-I460 HydrophobicContact CD2-CD1 4.44Å; F458-I460 HydrophobicContact CD2-CG1 4.16Å; F458-I460 HydrophobicContact CE2-CD1 3.97Å; F458-I460 HydrophobicContact CE2-CG1 4.2Å
459T91.3Very high89.1Confident39 Ų3940.9 Ų40.924%0.23923%0.229CC..EExtended strand (participates in β ladder)trans-96.7134177.7-540000110.4K240 V241 N448 F449 T450K240-T459 WeakPolarHBondContact CA-O 3.44Å; V241-T459 HydrophobicContact CG2-CG2 4.22Å; V241-T459 PolarHBondContact N-O 3.22Å; N448-T459 HydrophobicContact CB-CG2 4.37Å; F449-T459 WeakPolarHBondContact O-CA 3.25Å; T450-T459 PolarHBondContact OG1-OG1 3.1Å
460I91.8Very high89.1Confident0 Ų044.1 Ų44.10%025%0.246CC..EExtended strand (participates in β ladder)trans-103.9140.5170.4-66.5170.6000108.3V238 K239 L253 N448 F449 F458 N462V238-I460 HydrophobicContact CB-CD1 4.48Å; V238-I460 HydrophobicContact CB-CG2 3.94Å; V238-I460 HydrophobicContact CG2-CD1 4.05Å; V238-I460 HydrophobicContact CG2-CG1 4.19Å; V238-I460 HydrophobicContact CG2-CG2 4.43Å; K239-I460 WeakPolarHBondContact O-CA 3.4Å; L253-I460 HydrophobicContact CD2-CD1 3.73Å; N448-I460 WeakPolarHBondContact CA-O 3.49Å; F449-I460 HydrophobicContact CD1-CB 4.33Å; F449-I460 HydrophobicContact CD1-CG2 4.45Å; F449-I460 HydrophobicContact CE1-CB 3.88Å; F449-I460 HydrophobicContact CE1-CG2 3.67Å; F449-I460 HydrophobicContact CE2-CB 4.12Å; F449-I460 HydrophobicContact CE2-CD1 3.7Å; F449-I460 HydrophobicContact CE2-CG1 4.41Å; F449-I460 HydrophobicContact CZ-CB 3.77Å; F449-I460 HydrophobicContact CZ-CD1 3.66Å; F449-I460 HydrophobicContact CZ-CG1 4.31Å; F449-I460 HydrophobicContact CZ-CG2 3.75Å; F449-I460 PolarHBondContact N-O 3.01Å; F449-I460 PolarHBondContact O-N 3.37Å; F458-I460 HydrophobicContact CD2-CD1 4.44Å; F458-I460 HydrophobicContact CD2-CG1 4.16Å; F458-I460 HydrophobicContact CE2-CD1 3.97Å; F458-I460 HydrophobicContact CE2-CG1 4.2Å; I460-N462 WeakPolarHBondContact CG2-OD1 3.46Å
461V89.7Confident89.1Confident11 Ų1144.1 Ų44.17%0.06725%0.245CC..EExtended strand (participates in β ladder)trans-118.1122.2177.7172.30000108.8K239 V241 E446 N448K239-V461 WeakPolarHBondContact CB-O 3.4Å; K239-V461 PolarHBondContact O-N 3.45Å; V241-V461 HydrophobicContact CG2-CG2 3.42Å; V241-V461 VanDerWaalsContact CG2-CG2 3.42Å; E446-V461 HydrophobicContact CB-CG1 4.14Å; E446-V461 HydrophobicContact CG-CG1 4.16Å; N448-V461 WeakPolarHBondContact OD1-CA 3.49Å; N448-V461 WeakPolarHBondContact OD1-CG1 3.49Å; N448-V461 WeakPolarHBondContact OD1-CG2 3.45Å
462N86.9Confident89.1Confident6 Ų644.1 Ų44.13%0.03225%0.245CC..EExtended strand (participates in β ladder)trans-119.5139.2174.6-79.875.3000110.6Y447 I460 N464 E467 A468Y447-N462 PolarHBondContact N-O 3.03Å; Y447-N462 PolarHBondContact O-N 2.99Å; Y447-N462 VanDerWaalsContact O-N 3.09Å; I460-N462 WeakPolarHBondContact CG2-OD1 3.46Å; N462-N464 VanDerWaalsContact C-N 3.35Å; N462-E467 PolarHBondContact ND2-OE1 2.85Å; N462-E467 PolarHBondContact ND2-OE2 2.77Å; N462-A468 HydrophobicContact CB-CB 3.96Å
463G84.5Confident89.2Confident69 Ų6945.3 Ų45.371%0.71126%0.257SS*.SBendtrans-82.2-13.6174.300000113.7
464N87.5Confident89.3Confident79 Ų7946.3 Ų46.342%0.42226%0.264SS..  trans-119.8122.3-178.3-175.3-6.5000110.3N462 N466 E467 A468N462-N464 VanDerWaalsContact C-N 3.35Å; N464-N466 VanDerWaalsContact C-N 3.34Å; N464-N466 PolarHBondContact O-N 3.16Å; N464-N466 PolarHBondContact OD1-N 3.28Å; N464-N466 VanDerWaalsContact OD1-N 3.08Å; N464-E467 HydrophobicContact CB-CB 4.17Å; N464-E467 PolarHBondContact O-N 2.83Å; N464-A468 PolarHBondContact O-N 2.96Å; N464-A468 VanDerWaalsContact O-N 3.12Å
465L86.2Confident89.7Confident21 Ų2139.5 Ų39.511%0.1124%0.238CC..Hα-helixtrans-59.8-41.9179.1178.753.2000112.2F365 H368 Y447 E467 A468 E469F365-L465 HydrophobicContact CD2-CD1 3.58Å; F365-L465 HydrophobicContact CE2-CD1 3.24Å; F365-L465 HydrophobicContact CZ-CD1 4.08Å; H368-L465 WeakPolarHBondContact NE2-CD2 3.48Å; Y447-L465 HydrophobicContact CD1-CB 4.09Å; Y447-L465 HydrophobicContact CD1-CD1 3.69Å; Y447-L465 HydrophobicContact CD1-CG 4.35Å; Y447-L465 HydrophobicContact CD2-CB 4.03Å; Y447-L465 HydrophobicContact CE1-CB 3.91Å; Y447-L465 HydrophobicContact CE1-CD1 3.96Å; Y447-L465 HydrophobicContact CE1-CD2 4.07Å; Y447-L465 HydrophobicContact CE1-CG 4.21Å; Y447-L465 HydrophobicContact CE2-CB 3.84Å; Y447-L465 HydrophobicContact CG-CB 4.15Å; Y447-L465 HydrophobicContact CG-CD1 4.22Å; L465-E467 VanDerWaalsContact C-N 3.28Å; L465-E467 PolarHBondContact O-N 3.45Å; L465-A468 PolarHBondContact O-N 2.98Å; L465-E469 HydrophobicContact CD1-CG 4Å; L465-E469 WeakPolarHBondContact O-CG 3.21Å; L465-E469 PolarHBondContact O-N 2.83Å
466N87.7Confident90.1Very high69 Ų6933.3 Ų33.337%0.36920%0.204SC..Hα-helixtrans-63.2-35.7-178.8-67.1-59.1000112.3R401 N464 D470R401-N466 PolarHBondContact NH1-OD1 3.21Å; N464-N466 VanDerWaalsContact C-N 3.34Å; N464-N466 PolarHBondContact O-N 3.16Å; N464-N466 PolarHBondContact OD1-N 3.28Å; N464-N466 VanDerWaalsContact OD1-N 3.08Å; N466-D470 VanDerWaalsContact O-CB 3.28Å; N466-D470 WeakPolarHBondContact O-CB 3.28Å; N466-D470 PolarHBondContact O-N 2.94Å; N466-D470 VanDerWaalsContact O-N 3.09Å
467E88.2Confident90.5Very high67 Ų6735.7 Ų35.731%0.31322%0.215SC..Hα-helixtrans-74.5-40.7178.4-160-146.114500110.9N462 N464 L465 D470 W471N462-E467 PolarHBondContact ND2-OE1 2.85Å; N462-E467 PolarHBondContact ND2-OE2 2.77Å; N464-E467 HydrophobicContact CB-CB 4.17Å; N464-E467 PolarHBondContact O-N 2.83Å; L465-E467 VanDerWaalsContact C-N 3.28Å; L465-E467 PolarHBondContact O-N 3.45Å; E467-D470 PolarHBondContact O-N 3.39Å; E467-W471 PolarHBondContact O-N 2.75Å; E467-W471 PolarHBondContact OE1-NE1 3.29Å
468A89.3Confident90.6Very high0 Ų032 Ų320%020%0.196CC..Hα-helixtrans-59.8-46.6174.400000111.6F365 N462 N464 L465 W471 I472F365-A468 HydrophobicContact CE1-CB 3.99Å; F365-A468 HydrophobicContact CZ-CB 3.77Å; N462-A468 HydrophobicContact CB-CB 3.96Å; N464-A468 PolarHBondContact O-N 2.96Å; N464-A468 VanDerWaalsContact O-N 3.12Å; L465-A468 PolarHBondContact O-N 2.98Å; A468-W471 PolarHBondContact O-N 2.88Å; A468-I472 WeakPolarHBondContact O-CD1 3.44Å; A468-I472 VanDerWaalsContact O-CG1 3.24Å; A468-I472 WeakPolarHBondContact O-CG1 3.38Å; A468-I472 PolarHBondContact O-N 2.92Å
469E90.3Very high90.7Very high13 Ų1332.4 Ų32.46%0.06120%0.198CC..Hα-helixtrans-64.1-41177.2-73-173.816900112.9F365 P367 H368 F371 L465 I472 S473F365-E469 HydrophobicContact CE2-CG 4.18Å; F365-E469 HydrophobicContact CZ-CG 4.41Å; P367-E469 VanDerWaalsContact CA-OE1 3.24Å; P367-E469 WeakPolarHBondContact CA-OE1 3.45Å; P367-E469 WeakPolarHBondContact CB-OE1 3.29Å; H368-E469 IonicContact CD2-OE1 3.64Å; H368-E469 IonicContact CD2-OE2 3.53Å; H368-E469 IonicContact CG-OE1 2.7Å; H368-E469 PolarHBondContact N-OE1 3.35Å; F371-E469 HydrophobicContact CE2-CB 4.5Å; F371-E469 HydrophobicContact CE2-CG 4.13Å; F371-E469 HydrophobicContact CZ-CB 4.01Å; F371-E469 HydrophobicContact CZ-CG 4.13Å; L465-E469 HydrophobicContact CD1-CG 4Å; L465-E469 WeakPolarHBondContact O-CG 3.21Å; L465-E469 PolarHBondContact O-N 2.83Å; E469-I472 PolarHBondContact O-N 3.22Å; E469-S473 VanDerWaalsContact O-CB 3.25Å; E469-S473 WeakPolarHBondContact O-CB 3.42Å; E469-S473 PolarHBondContact O-N 3.38Å
470D91.6Very high90.8Very high69 Ų6935.3 Ų35.337%0.36921%0.208SC..Hα-helixtrans-65.8-39.2175.6168.932.6000111.7K234 N466 E467 S474K234-D470 VanDerWaalsContact NZ-C 3.35Å; K234-D470 PolarHBondContact NZ-O 3.09Å; K234-D470 IonicContact NZ-OD1 2.81Å; K234-D470 PolarHBondContact NZ-OD1 3.37Å; K234-D470 IonicContact NZ-OD2 3.16Å; K234-D470 PolarHBondContact NZ-OD2 2.71Å; N466-D470 VanDerWaalsContact O-CB 3.28Å; N466-D470 WeakPolarHBondContact O-CB 3.28Å; N466-D470 PolarHBondContact O-N 2.94Å; N466-D470 VanDerWaalsContact O-N 3.09Å; E467-D470 PolarHBondContact O-N 3.39Å; D470-S474 VanDerWaalsContact O-CB 3.26Å; D470-S474 WeakPolarHBondContact O-CB 3.24Å; D470-S474 PolarHBondContact O-N 2.83Å; D470-S474 PolarHBondContact O-OG 2.85Å
471W93.5Very high90.6Very high7 Ų738.1 Ų38.13%0.02723%0.232CC..Hα-helixtrans-62.8-44.6170.4-84116.3000113.2K234 V238 L253 I255 F449 E467 A468 S474 L475K234-W471 HydrophobicContact CB-CZ3 4.44Å; K234-W471 HydrophobicContact CD-CD2 4.43Å; K234-W471 HydrophobicContact CD-CE3 3.86Å; K234-W471 HydrophobicContact CD-CH2 4.29Å; K234-W471 HydrophobicContact CD-CZ3 3.77Å; K234-W471 HydrophobicContact CG-CE3 4.39Å; K234-W471 HydrophobicContact CG-CH2 4.02Å; K234-W471 HydrophobicContact CG-CZ3 3.79Å; V238-W471 HydrophobicContact CG1-CD2 4.41Å; V238-W471 HydrophobicContact CG1-CH2 4.48Å; V238-W471 HydrophobicContact CG1-CZ2 3.77Å; L253-W471 HydrophobicContact CB-CH2 4.14Å; L253-W471 HydrophobicContact CB-CZ3 4.38Å; L253-W471 HydrophobicContact CD2-CE3 3.91Å; L253-W471 HydrophobicContact CD2-CH2 4.28Å; L253-W471 HydrophobicContact CD2-CZ3 3.78Å; L253-W471 HydrophobicContact CG-CZ3 4.27Å; I255-W471 HydrophobicContact CD1-CE3 4.01Å; I255-W471 HydrophobicContact CD1-CZ3 3.89Å; I255-W471 HydrophobicContact CG1-CZ3 4.11Å; F449-W471 HydrophobicContact CE1-CB 4.36Å; F449-W471 HydrophobicContact CZ-CB 3.89Å; E467-W471 PolarHBondContact O-N 2.75Å; E467-W471 PolarHBondContact OE1-NE1 3.29Å; A468-W471 PolarHBondContact O-N 2.88Å; W471-S474 PolarHBondContact O-N 2.89Å; W471-L475 WeakPolarHBondContact O-CB 3.43Å; W471-L475 WeakPolarHBondContact O-CG 3.24Å; W471-L475 PolarHBondContact O-N 2.79Å
472I93.1Very high90.5Very high0 Ų038.5 Ų38.50%023%0.234CC..Hα-helixtrans-63.2-51.5177.6-70.2161000110.4V361 I363 F365 F371 F449 A468 E469 S474 L475 E476V361-I472 HydrophobicContact CG1-CG1 4.31Å; I363-I472 HydrophobicContact CD1-CD1 4.17Å; I363-I472 HydrophobicContact CD1-CG2 3.83Å; I363-I472 HydrophobicContact CG1-CD1 4.02Å; I363-I472 HydrophobicContact CG1-CG2 4.34Å; I363-I472 HydrophobicContact CG2-CD1 4.03Å; F365-I472 HydrophobicContact CE1-CD1 3.77Å; F365-I472 HydrophobicContact CZ-CD1 3.5Å; F371-I472 HydrophobicContact CD1-CG2 3.92Å; F371-I472 HydrophobicContact CD2-CG2 4.03Å; F371-I472 HydrophobicContact CE1-CG2 3.94Å; F371-I472 HydrophobicContact CE2-CG2 4.02Å; F371-I472 HydrophobicContact CG-CG2 3.98Å; F371-I472 HydrophobicContact CZ-CB 4.31Å; F371-I472 HydrophobicContact CZ-CG2 3.99Å; F449-I472 HydrophobicContact CB-CD1 4.21Å; F449-I472 HydrophobicContact CB-CG1 4.41Å; F449-I472 HydrophobicContact CD1-CD1 4.21Å; F449-I472 HydrophobicContact CD1-CG1 4.21Å; F449-I472 HydrophobicContact CD2-CG1 4.19Å; F449-I472 HydrophobicContact CG-CD1 4.19Å; F449-I472 HydrophobicContact CG-CG1 4.03Å; A468-I472 WeakPolarHBondContact O-CD1 3.44Å; A468-I472 VanDerWaalsContact O-CG1 3.24Å; A468-I472 WeakPolarHBondContact O-CG1 3.38Å; A468-I472 PolarHBondContact O-N 2.92Å; E469-I472 PolarHBondContact O-N 3.22Å; I472-S474 VanDerWaalsContact C-N 3.29Å; I472-S474 PolarHBondContact O-N 2.64Å; I472-L475 PolarHBondContact O-N 2.79Å; I472-L475 VanDerWaalsContact O-N 3.1Å; I472-E476 HydrophobicContact CG2-CG 4.24Å; I472-E476 WeakPolarHBondContact O-CG 3.49Å; I472-E476 PolarHBondContact O-N 3.06Å
473S93.1Very high90.6Very high55 Ų5541.8 Ų41.839%0.38525%0.248SC..Hα-helixtrans-53.6-45.7176.9-177.10000112E469 T477E469-S473 VanDerWaalsContact O-CB 3.25Å; E469-S473 WeakPolarHBondContact O-CB 3.42Å; E469-S473 PolarHBondContact O-N 3.38Å; S473-T477 WeakPolarHBondContact O-CB 3.28Å; S473-T477 PolarHBondContact O-N 3.17Å; S473-T477 PolarHBondContact O-OG1 2.69Å
474S92.7Very high90.7Very high30 Ų3041.9 Ų41.921%0.2124%0.235CC..Hα-helixtrans-64.1-42177.4-62.40000112.8K234 D470 W471 I472 A478K234-S474 VanDerWaalsContact CD-OG 3.24Å; K234-S474 WeakPolarHBondContact CD-OG 3.34Å; K234-S474 PolarHBondContact NZ-OG 2.87Å; D470-S474 VanDerWaalsContact O-CB 3.26Å; D470-S474 WeakPolarHBondContact O-CB 3.24Å; D470-S474 PolarHBondContact O-N 2.83Å; D470-S474 PolarHBondContact O-OG 2.85Å; W471-S474 PolarHBondContact O-N 2.89Å; I472-S474 VanDerWaalsContact C-N 3.29Å; I472-S474 PolarHBondContact O-N 2.64Å; S474-A478 WeakPolarHBondContact O-CB 3.45Å; S474-A478 PolarHBondContact O-N 3.07Å; S474-A478 VanDerWaalsContact O-N 3.13Å
475L94.4Very high90.4Very high0 Ų040.5 Ų40.50%023%0.234CC..Hα-helixtrans-68.1-48.9177.9-78.4167.9000111.8I255 L260 V361 F449 V451 W471 I472 A478 I479I255-L475 HydrophobicContact CD1-CD2 3.6Å; I255-L475 HydrophobicContact CD1-CG 3.7Å; I255-L475 HydrophobicContact CG1-CD2 3.88Å; I255-L475 HydrophobicContact CG1-CG 4.5Å; L260-L475 HydrophobicContact CD1-CD2 3.74Å; L260-L475 HydrophobicContact CD2-CD2 4.17Å; V361-L475 HydrophobicContact CG2-CB 4.02Å; V361-L475 HydrophobicContact CG2-CD1 4.27Å; F449-L475 HydrophobicContact CE2-CD1 3.81Å; V451-L475 HydrophobicContact CG2-CD1 4Å; W471-L475 WeakPolarHBondContact O-CB 3.43Å; W471-L475 WeakPolarHBondContact O-CG 3.24Å; W471-L475 PolarHBondContact O-N 2.79Å; I472-L475 PolarHBondContact O-N 2.79Å; I472-L475 VanDerWaalsContact O-N 3.1Å; L475-A478 PolarHBondContact O-N 3.03Å; L475-I479 WeakPolarHBondContact O-CB 3.26Å; L475-I479 WeakPolarHBondContact O-CD1 3.41Å; L475-I479 WeakPolarHBondContact O-CG1 3.27Å; L475-I479 PolarHBondContact O-N 3.2Å
476E93.9Very high90.1Very high38 Ų3842.3 Ų42.318%0.17824%0.24CC..Hα-helixtrans-62.1-44.8179.6-71.9-173175.600111.4F371 I472 A478 I479 Q480F371-E476 WeakPolarHBondContact CB-OE2 3.38Å; I472-E476 HydrophobicContact CG2-CG 4.24Å; I472-E476 WeakPolarHBondContact O-CG 3.49Å; I472-E476 PolarHBondContact O-N 3.06Å; E476-A478 PolarHBondContact O-N 3.46Å; E476-I479 PolarHBondContact O-N 3.04Å; E476-Q480 VanDerWaalsContact O-CB 3.24Å; E476-Q480 WeakPolarHBondContact O-CB 3.3Å; E476-Q480 PolarHBondContact O-N 3.32Å
477T93.4Very high89.8Confident93 Ų9347 Ų4757%0.57126%0.257SS*.Hα-helixtrans-58.4-46.1175.4-600000111.3S473 A481S473-T477 WeakPolarHBondContact O-CB 3.28Å; S473-T477 PolarHBondContact O-N 3.17Å; S473-T477 PolarHBondContact O-OG1 2.69Å; T477-A481 VanDerWaalsContact O-CB 3.25Å; T477-A481 WeakPolarHBondContact O-CB 2.91Å; T477-A481 PolarHBondContact O-N 3.19Å
478A92.9Very high89.1Confident5 Ų547.8 Ų47.84%0.04127%0.27CS..Hα-helixtrans-65.6-44.5177.800000112.6L233 I255 L356 S474 L475 E476 A481 V482L233-A478 HydrophobicContact CD1-CB 3.64Å; I255-A478 HydrophobicContact CG2-CB 3.67Å; L356-A478 HydrophobicContact CD1-CB 4.17Å; S474-A478 WeakPolarHBondContact O-CB 3.45Å; S474-A478 PolarHBondContact O-N 3.07Å; S474-A478 VanDerWaalsContact O-N 3.13Å; L475-A478 PolarHBondContact O-N 3.03Å; E476-A478 PolarHBondContact O-N 3.46Å; A478-A481 PolarHBondContact O-N 3.43Å; A478-V482 VanDerWaalsContact O-CG2 3.3Å; A478-V482 WeakPolarHBondContact O-CG2 3.41Å; A478-V482 PolarHBondContact O-N 2.91Å
479I93.4Very high87.8Confident9 Ų951 Ų515%0.04629%0.287CS..Hα-helixtrans-62.2-45.3177.6-69.7165.8000110.4L356 C359 V361 L475 E476 V482 K483L356-I479 HydrophobicContact CD2-CG1 3.89Å; C359-I479 HydrophobicContact CB-CD1 3.69Å; C359-I479 HydrophobicContact CB-CG1 4.05Å; V361-I479 HydrophobicContact CG2-CD1 4.14Å; L475-I479 WeakPolarHBondContact O-CB 3.26Å; L475-I479 WeakPolarHBondContact O-CD1 3.41Å; L475-I479 WeakPolarHBondContact O-CG1 3.27Å; L475-I479 PolarHBondContact O-N 3.2Å; E476-I479 PolarHBondContact O-N 3.04Å; I479-V482 PolarHBondContact O-N 3.4Å; I479-K483 HydrophobicContact CG2-CD 3.87Å; I479-K483 VanDerWaalsContact CG2-CE 3.48Å; I479-K483 HydrophobicContact CG2-CG 4.43Å; I479-K483 WeakPolarHBondContact O-CB 3.34Å; I479-K483 WeakPolarHBondContact O-CG 3.42Å; I479-K483 PolarHBondContact O-N 3.45Å
480Q92.5Very high86.2Confident100 Ų10062.1 Ų62.147%0.46733%0.328SS..Hα-helixtrans-69.3-40-179-176.559.96.600111.9E476 V482 K483 T484E476-Q480 VanDerWaalsContact O-CB 3.24Å; E476-Q480 WeakPolarHBondContact O-CB 3.3Å; E476-Q480 PolarHBondContact O-N 3.32Å; Q480-V482 VanDerWaalsContact C-N 3.35Å; Q480-V482 PolarHBondContact O-N 3.21Å; Q480-K483 PolarHBondContact O-N 3Å; Q480-T484 VanDerWaalsContact O-CB 3.26Å; Q480-T484 WeakPolarHBondContact O-CB 3.43Å; Q480-T484 PolarHBondContact O-N 2.84Å; Q480-T484 PolarHBondContact O-OG1 3.14Å
481A88.6Confident85Confident59 Ų5965.8 Ų65.849%0.48834%0.341SS..Hα-helixtrans-59.4-45.2172.900000111.5T477 A478 T484 A485T477-A481 VanDerWaalsContact O-CB 3.25Å; T477-A481 WeakPolarHBondContact O-CB 2.91Å; T477-A481 PolarHBondContact O-N 3.19Å; A478-A481 PolarHBondContact O-N 3.43Å; A481-T484 PolarHBondContact O-N 2.88Å; A481-A485 VanDerWaalsContact O-CB 3.28Å; A481-A485 WeakPolarHBondContact O-CB 3.31Å; A481-A485 PolarHBondContact O-N 3.49Å
482V87.6Confident83.1Confident19 Ų1972.6 Ų72.612%0.11537%0.373CS..Hα-helixtrans-65.2-45.8176.4173.10000111.8S257 L356 H357 A478 I479 Q480 T484 A485 R486S257-V482 WeakPolarHBondContact O-CG2 3.24Å; L356-V482 HydrophobicContact CB-CG2 4.36Å; H357-V482 HydrophobicContact CB-CG1 3.71Å; A478-V482 VanDerWaalsContact O-CG2 3.3Å; A478-V482 WeakPolarHBondContact O-CG2 3.41Å; A478-V482 PolarHBondContact O-N 2.91Å; I479-V482 PolarHBondContact O-N 3.4Å; Q480-V482 VanDerWaalsContact C-N 3.35Å; Q480-V482 PolarHBondContact O-N 3.21Å; V482-T484 VanDerWaalsContact C-N 3.35Å; V482-T484 PolarHBondContact O-N 3.2Å; V482-A485 PolarHBondContact O-N 3.08Å; V482-R486 WeakPolarHBondContact O-CG 3.46Å; V482-R486 PolarHBondContact O-N 2.71Å
483K88.5Confident81Confident75 Ų7575.9 Ų75.933%0.32640%0.396SS..Hα-helixtrans-61.5-42.9177.7-75.2176-178.1172.90111.3C359 I479 Q480 R486 K487C359-K483 PolarHBondContact O-NZ 3.12Å; I479-K483 HydrophobicContact CG2-CD 3.87Å; I479-K483 VanDerWaalsContact CG2-CE 3.48Å; I479-K483 HydrophobicContact CG2-CG 4.43Å; I479-K483 WeakPolarHBondContact O-CB 3.34Å; I479-K483 WeakPolarHBondContact O-CG 3.42Å; I479-K483 PolarHBondContact O-N 3.45Å; Q480-K483 PolarHBondContact O-N 3Å; K483-R486 PolarHBondContact O-N 2.87Å; K483-K487 WeakPolarHBondContact O-CG 3.33Å; K483-K487 PolarHBondContact O-N 2.77Å
484T86.8Confident79.1Confident71 Ų7175.6 Ų75.644%0.43639%0.394SS..Hα-helixtrans-64.8-45.3177.1-54.40000111.4Q480 A481 V482 R486 K487 S488Q480-T484 VanDerWaalsContact O-CB 3.26Å; Q480-T484 WeakPolarHBondContact O-CB 3.43Å; Q480-T484 PolarHBondContact O-N 2.84Å; Q480-T484 PolarHBondContact O-OG1 3.14Å; A481-T484 PolarHBondContact O-N 2.88Å; V482-T484 VanDerWaalsContact C-N 3.35Å; V482-T484 PolarHBondContact O-N 3.2Å; T484-R486 VanDerWaalsContact C-N 3.29Å; T484-R486 PolarHBondContact O-N 3.13Å; T484-K487 PolarHBondContact O-N 3.26Å; T484-K487 VanDerWaalsContact O-N 3.15Å; T484-S488 PolarHBondContact O-N 3.31Å; T484-S488 PolarHBondContact O-OG 3.2Å
485A81.4Confident77.1Confident50 Ų5074.8 Ų74.841%0.41339%0.389SS..Hα-helixtrans-62.2-34175.200000112.7A481 V482 S488 L489A481-A485 VanDerWaalsContact O-CB 3.28Å; A481-A485 WeakPolarHBondContact O-CB 3.31Å; A481-A485 PolarHBondContact O-N 3.49Å; V482-A485 PolarHBondContact O-N 3.08Å; A485-S488 PolarHBondContact O-OG 3.33Å; A485-L489 VanDerWaalsContact O-CD1 3.23Å; A485-L489 WeakPolarHBondContact O-CD1 3.34Å; A485-L489 VanDerWaalsContact O-CG 3.26Å; A485-L489 WeakPolarHBondContact O-CG 3.37Å
486R79Confident75.1Confident59 Ų5980.8 Ų80.822%0.22342%0.415CS..Hα-helixtrans-70.1-39.7172.5-69.1-174.285.579.74.3112.2H357 V482 K483 T484 S488 L489 K496H357-R486 PolarHBondContact CD2-NE 2.9Å; V482-R486 WeakPolarHBondContact O-CG 3.46Å; V482-R486 PolarHBondContact O-N 2.71Å; K483-R486 PolarHBondContact O-N 2.87Å; T484-R486 VanDerWaalsContact C-N 3.29Å; T484-R486 PolarHBondContact O-N 3.13Å; R486-S488 VanDerWaalsContact C-N 3.33Å; R486-S488 PolarHBondContact O-N 3.18Å; R486-L489 PolarHBondContact O-N 2.94Å; R486-K496 PolarHBondContact NH1-O 3.09Å
487K81.9Confident73Confident167 Ų16785.4 Ų85.473%0.72643%0.431SS*.Hα-helixtrans-66.7-29.6177.6-73-177.4178.8-168.20113K483 T484K483-K487 WeakPolarHBondContact O-CG 3.33Å; K483-K487 PolarHBondContact O-N 2.77Å; T484-K487 PolarHBondContact O-N 3.26Å; T484-K487 VanDerWaalsContact O-N 3.15Å
488S72.5Confident70.9Confident85 Ų8582.1 Ų82.159%0.59441%0.411SS*.THydrogen-bonded Turntrans-82.4-6.5179.565.50000115.2T484 A485 R486 R490T484-S488 PolarHBondContact O-N 3.31Å; T484-S488 PolarHBondContact O-OG 3.2Å; A485-S488 PolarHBondContact O-OG 3.33Å; R486-S488 VanDerWaalsContact C-N 3.33Å; R486-S488 PolarHBondContact O-N 3.18Å; S488-R490 PolarHBondContact O-N 2.87Å; S488-R490 VanDerWaalsContact O-N 3.14Å
489L62.3Low69Low66 Ų6686 Ų8635%0.34643%0.43SS..  trans-79.997.9-177.9-74.5160.2000111.3A485 R486 K491 S494 A495A485-L489 VanDerWaalsContact O-CD1 3.23Å; A485-L489 WeakPolarHBondContact O-CD1 3.34Å; A485-L489 VanDerWaalsContact O-CG 3.26Å; A485-L489 WeakPolarHBondContact O-CG 3.37Å; R486-L489 PolarHBondContact O-N 2.94Å; L489-K491 PolarHBondContact O-N 2.86Å; L489-S494 WeakPolarHBondContact CD2-OG 3.5Å; L489-A495 HydrophobicContact CD1-CB 4.27Å
490R57.6Low66.9Low247 Ų24792 Ų9293%0.93245%0.452SS*.SBendtrans-54.6-14.6-178.2-62.5-175.3179112.9-2.6116S488S488-R490 PolarHBondContact O-N 2.87Å; S488-R490 VanDerWaalsContact O-N 3.14Å
491K65.3Low64.9Low147 Ų14790.8 Ų90.864%0.63946%0.458SS*.SBendtrans-138.4131.7176.8-66.5-175179.4179.90109.6L489 S493 S494L489-K491 PolarHBondContact O-N 2.86Å; K491-S493 PolarHBondContact O-N 2.84Å; K491-S494 WeakPolarHBondContact O-CA 3.43Å; K491-S494 WeakPolarHBondContact O-CB 3.49Å; K491-S494 PolarHBondContact O-N 3.41Å; K491-S494 PolarHBondContact O-OG 3.48Å
492E53.5Low63.3Low149 Ų14990.8 Ų90.870%0.69646%0.455SS*.G310 helixtrans-60.4-29.3178.3-168169.2-151.500112.7S494 A495 W497E492-S494 PolarHBondContact O-N 3.39Å; E492-A495 VanDerWaalsContact O-CB 3.3Å; E492-A495 WeakPolarHBondContact O-CB 3.3Å; E492-A495 PolarHBondContact O-N 3.28Å; E492-A495 VanDerWaalsContact O-N 3.14Å; E492-W497 HydrophobicContact CG-CZ2 3.95Å
493S49.4Very low61.8Low69 Ų6992 Ų9248%0.48346%0.461SS..G310 helixtrans-65.1-20.1172.565.80000114.5K491K491-S493 PolarHBondContact O-N 2.84Å
494S52.8Low60.3Low49 Ų4989.7 Ų89.734%0.34345%0.451SS..G310 helixtrans-93.3-8.3176.270.50000112.9L489 K491 E492 K496L489-S494 WeakPolarHBondContact CD2-OG 3.5Å; K491-S494 WeakPolarHBondContact O-CA 3.43Å; K491-S494 WeakPolarHBondContact O-CB 3.49Å; K491-S494 PolarHBondContact O-N 3.41Å; K491-S494 PolarHBondContact O-OG 3.48Å; E492-S494 PolarHBondContact O-N 3.39Å; S494-K496 PolarHBondContact O-N 2.82Å
495A50.6Low59.1Low14 Ų1489 Ų8912%0.11644%0.444CS..SBendtrans-64.2120.1173.400000110.2L489 E492 W497L489-A495 HydrophobicContact CD1-CB 4.27Å; E492-A495 VanDerWaalsContact O-CB 3.3Å; E492-A495 WeakPolarHBondContact O-CB 3.3Å; E492-A495 PolarHBondContact O-N 3.28Å; E492-A495 VanDerWaalsContact O-N 3.14Å; A495-W497 HydrophobicContact CB-CZ2 4.36Å; A495-W497 PolarHBondContact O-N 2.88Å; A495-W497 PolarHBondContact O-NE1 3.21Å
496K53.4Low58.2Low125 Ų12591.6 Ų91.654%0.54345%0.448SS..  trans-65.8107.9166.8-72.4179-177.1170.70107.8R486 S494 P498R486-K496 PolarHBondContact NH1-O 3.09Å; S494-K496 PolarHBondContact O-N 2.82Å; K496-P498 WeakPolarHBondContact O-CD 3.28Å
497W48.9Very low57.4Low136 Ų13691.3 Ų91.352%0.51545%0.448SS..PPolyproline II helixtrans-85.7118.5174.9-67.294.6000109.3E492 A495 M499E492-W497 HydrophobicContact CG-CZ2 3.95Å; A495-W497 HydrophobicContact CB-CZ2 4.36Å; A495-W497 PolarHBondContact O-N 2.88Å; A495-W497 PolarHBondContact O-NE1 3.21Å; W497-M499 PolarHBondContact O-N 3Å
498P49.2Very low56.4Low23 Ų2384 Ų8415%0.14942%0.416CS..PPolyproline II helixtrans-65.3123.5170.226.7-31.1000108.2P355 H357 K496 R500P355-P498 HydrophobicContact CB-CB 4.1Å; P355-P498 HydrophobicContact CB-CG 3.79Å; P355-P498 HydrophobicContact CG-CG 4.49Å; H357-P498 WeakPolarHBondContact CE1-CG 3.13Å; K496-P498 WeakPolarHBondContact O-CD 3.28Å; P498-R500 PolarHBondContact O-N 3.35Å
499M53.7Low56.2Low86 Ų8684.6 Ų84.642%0.42441%0.41SS..PPolyproline II helixtrans-61.6127.5-177.2-171.3156.155.400109.8W497 D503 F504 F507W497-M499 PolarHBondContact O-N 3Å; M499-D503 HydrophobicContact CG-CB 3.62Å; M499-D503 HydrophobicContact SD-CB 4.38Å; M499-F504 HydrophobicContact CE-CB 4.06Å; M499-F504 HydrophobicContact CE-CD2 3.58Å; M499-F504 HydrophobicContact CE-CE2 4.4Å; M499-F504 HydrophobicContact CE-CG 4.17Å; M499-F504 HydrophobicContact CG-CB 4.14Å; M499-F507 HydrophobicContact CE-CB 3.98Å; M499-F507 HydrophobicContact CE-CD1 3.74Å; M499-F507 HydrophobicContact CE-CE1 4.5Å; M499-F507 HydrophobicContact CE-CG 3.98Å; M499-F507 HydrophobicContact SD-CB 4Å; M499-F507 HydrophobicContact SD-CG 4.34Å
500R49.3Very low56.5Low137 Ų13782.6 Ų82.652%0.51740%0.398SS..PPolyproline II helixtrans-63.6152.5178.4-59.2177.4-64.2173.77.6109.1P498 S502 D503 F504P498-R500 PolarHBondContact O-N 3.35Å; R500-S502 PolarHBondContact O-N 2.99Å; R500-S502 VanDerWaalsContact O-N 3.15Å; R500-D503 HydrophobicContact CB-CB 4.49Å; R500-D503 WeakPolarHBondContact CB-OD2 3.37Å; R500-D503 IonicContact CZ-OD1 2.79Å; R500-D503 IonicContact CZ-OD2 2.68Å; R500-D503 IonicContact NE-OD1 2.84Å; R500-D503 IonicContact NE-OD2 2.64Å; R500-D503 PolarHBondContact NE-OD2 3.27Å; R500-D503 IonicContact NH2-OD1 2.72Å; R500-D503 PolarHBondContact NH2-OD1 2.73Å; R500-D503 IonicContact NH2-OD2 2.88Å; R500-D503 PolarHBondContact NH2-OD2 3.5Å; R500-D503 VanDerWaalsContact NH2-OD2 3.16Å; R500-D503 PolarHBondContact O-N 3.31Å; R500-F504 PolarHBondContact O-N 2.97Å
501A49.8Very low57Low73 Ų7373.4 Ų73.460%0.60337%0.367SS*.Hα-helixtrans-54.3-38.2-179.600000113F504 I505A501-F504 PolarHBondContact O-N 3.08Å; A501-I505 WeakPolarHBondContact O-CB 3.29Å; A501-I505 WeakPolarHBondContact O-CD1 3.42Å; A501-I505 WeakPolarHBondContact O-CG1 3.3Å; A501-I505 PolarHBondContact O-N 3.47Å
502S56.1Low57.1Low59 Ų5970.4 Ų70.441%0.41336%0.355SS..Hα-helixtrans-60.3-43.917354.80000113.4R500 I505 Q506R500-S502 PolarHBondContact O-N 2.99Å; R500-S502 VanDerWaalsContact O-N 3.15Å; S502-I505 WeakPolarHBondContact O-CB 3.36Å; S502-I505 PolarHBondContact O-N 3.4Å; S502-Q506 WeakPolarHBondContact O-CG 3.24Å; S502-Q506 PolarHBondContact O-N 2.83Å
503D56.5Low58Low44 Ų4469 Ų6924%0.23535%0.348CS..Hα-helixtrans-74.3-33.8-176.8-50.7-20000109.7M499 R500 Q506 F507M499-D503 HydrophobicContact CG-CB 3.62Å; M499-D503 HydrophobicContact SD-CB 4.38Å; R500-D503 HydrophobicContact CB-CB 4.49Å; R500-D503 WeakPolarHBondContact CB-OD2 3.37Å; R500-D503 IonicContact CZ-OD1 2.79Å; R500-D503 IonicContact CZ-OD2 2.68Å; R500-D503 IonicContact NE-OD1 2.84Å; R500-D503 IonicContact NE-OD2 2.64Å; R500-D503 PolarHBondContact NE-OD2 3.27Å; R500-D503 IonicContact NH2-OD1 2.72Å; R500-D503 PolarHBondContact NH2-OD1 2.73Å; R500-D503 IonicContact NH2-OD2 2.88Å; R500-D503 PolarHBondContact NH2-OD2 3.5Å; R500-D503 VanDerWaalsContact NH2-OD2 3.16Å; R500-D503 PolarHBondContact O-N 3.31Å; D503-Q506 PolarHBondContact O-N 2.84Å; D503-F507 WeakPolarHBondContact O-CB 3.37Å; D503-F507 PolarHBondContact O-N 3.03Å
504F57.1Low59.1Low28 Ų2869 Ų6912%0.12334%0.34CS..Hα-helixtrans-66.5-42.9172.8-175.2-79.8000111.6W220 M499 R500 A501 Q506 F507 E508W220-F504 HydrophobicContact CB-CD1 4.22Å; W220-F504 HydrophobicContact CB-CE1 3.8Å; W220-F504 WeakPolarHBondContact O-CE1 3.33Å; W220-F504 WeakPolarHBondContact O-CZ 3.49Å; M499-F504 HydrophobicContact CE-CB 4.06Å; M499-F504 HydrophobicContact CE-CD2 3.58Å; M499-F504 HydrophobicContact CE-CE2 4.4Å; M499-F504 HydrophobicContact CE-CG 4.17Å; M499-F504 HydrophobicContact CG-CB 4.14Å; R500-F504 PolarHBondContact O-N 2.97Å; A501-F504 PolarHBondContact O-N 3.08Å; F504-Q506 PolarHBondContact O-N 2.82Å; F504-F507 PolarHBondContact O-N 2.7Å; F504-E508 HydrophobicContact CD1-CG 3.94Å; F504-E508 HydrophobicContact CE1-CG 3.46Å; F504-E508 VanDerWaalsContact CE1-CG 3.46Å; F504-E508 HydrophobicContact CZ-CG 3.83Å; F504-E508 PolarHBondContact O-N 3.36Å
505I61Low59.8Low57 Ų5772 Ų7229%0.29234%0.344SS..Hα-helixtrans-57.8-47.1172.9-76.1165.3000110.7W220 A501 S502 Q509W220-I505 HydrophobicContact CD2-CG1 3.84Å; W220-I505 HydrophobicContact CE3-CG1 4.19Å; W220-I505 HydrophobicContact CG-CG1 4.32Å; W220-I505 HydrophobicContact CH2-CB 4.14Å; W220-I505 HydrophobicContact CH2-CG1 4.21Å; W220-I505 HydrophobicContact CH2-CG2 3.63Å; W220-I505 HydrophobicContact CZ2-CB 4.21Å; W220-I505 HydrophobicContact CZ2-CG1 3.84Å; W220-I505 HydrophobicContact CZ2-CG2 3.73Å; W220-I505 HydrophobicContact CZ3-CB 4.29Å; W220-I505 HydrophobicContact CZ3-CG1 4.37Å; W220-I505 HydrophobicContact CZ3-CG2 4.23Å; W220-I505 WeakPolarHBondContact CZ3-O 3.24Å; A501-I505 WeakPolarHBondContact O-CB 3.29Å; A501-I505 WeakPolarHBondContact O-CD1 3.42Å; A501-I505 WeakPolarHBondContact O-CG1 3.3Å; A501-I505 PolarHBondContact O-N 3.47Å; S502-I505 WeakPolarHBondContact O-CB 3.36Å; S502-I505 PolarHBondContact O-N 3.4Å; I505-Q509 WeakPolarHBondContact O-CB 3.39Å; I505-Q509 VanDerWaalsContact O-CG 3.23Å; I505-Q509 WeakPolarHBondContact O-CG 3.4Å; I505-Q509 PolarHBondContact O-N 3.26Å
506Q63.3Low61Low104 Ų10475.4 Ų75.449%0.48636%0.359SS..Hα-helixtrans-64.8-39.6176.4-72.3177.80.400112.5S502 D503 F504 Q509 W510S502-Q506 WeakPolarHBondContact O-CG 3.24Å; S502-Q506 PolarHBondContact O-N 2.83Å; D503-Q506 PolarHBondContact O-N 2.84Å; F504-Q506 PolarHBondContact O-N 2.82Å; Q506-Q509 PolarHBondContact O-N 3.05Å; Q506-W510 WeakPolarHBondContact O-CB 3.39Å; Q506-W510 PolarHBondContact O-N 2.95Å
507F62.2Low61.9Low52 Ų5273.7 Ų73.723%0.22836%0.355CS..Hα-helixtrans-65.9-45.7178.7177.2-106.8000112.6M499 D503 F504 W510 L511 L556M499-F507 HydrophobicContact CE-CB 3.98Å; M499-F507 HydrophobicContact CE-CD1 3.74Å; M499-F507 HydrophobicContact CE-CE1 4.5Å; M499-F507 HydrophobicContact CE-CG 3.98Å; M499-F507 HydrophobicContact SD-CB 4Å; M499-F507 HydrophobicContact SD-CG 4.34Å; D503-F507 WeakPolarHBondContact O-CB 3.37Å; D503-F507 PolarHBondContact O-N 3.03Å; F504-F507 PolarHBondContact O-N 2.7Å; F507-W510 HydrophobicContact CD2-CE3 4.31Å; F507-W510 HydrophobicContact CE2-CE3 4.14Å; F507-W510 HydrophobicContact CE2-CZ3 4.13Å; F507-W510 PolarHBondContact O-N 2.83Å; F507-L511 HydrophobicContact CD1-CD1 4.01Å; F507-L511 HydrophobicContact CD1-CG 4.49Å; F507-L511 HydrophobicContact CE1-CD1 3.4Å; F507-L511 VanDerWaalsContact CE1-CD1 3.4Å; F507-L511 HydrophobicContact CE1-CG 4.05Å; F507-L511 HydrophobicContact CE2-CG 4.36Å; F507-L511 HydrophobicContact CZ-CD1 3.71Å; F507-L511 HydrophobicContact CZ-CD2 4.24Å; F507-L511 HydrophobicContact CZ-CG 3.97Å; F507-L511 PolarHBondContact O-N 2.92Å; F507-L556 HydrophobicContact CE2-CD1 4.16Å
508E60Low62.8Low14 Ų1471.1 Ų71.17%0.06535%0.348CS..Hα-helixtrans-69.5-32.2176.4-69.9-93.1112.700111.8W220 N223 F504 L511 E512W220-E508 HydrophobicContact CE3-CB 3.65Å; W220-E508 HydrophobicContact CE3-CG 4.22Å; W220-E508 HydrophobicContact CZ3-CB 3.7Å; N223-E508 PolarHBondContact ND2-OE1 3.12Å; F504-E508 HydrophobicContact CD1-CG 3.94Å; F504-E508 HydrophobicContact CE1-CG 3.46Å; F504-E508 VanDerWaalsContact CE1-CG 3.46Å; F504-E508 HydrophobicContact CZ-CG 3.83Å; F504-E508 PolarHBondContact O-N 3.36Å; E508-L511 PolarHBondContact O-N 2.74Å; E508-E512 WeakPolarHBondContact O-CB 3.16Å; E508-E512 PolarHBondContact O-N 3.03Å
509Q68.4Low63.9Low97 Ų9774.3 Ų74.345%0.45336%0.361SS..Hα-helixtrans-60.8-44.2169.4-79172.2-1800111.9W220 I505 Q506 E512 Q513W220-Q509 HydrophobicContact CH2-CG 3.82Å; W220-Q509 HydrophobicContact CZ3-CG 4.13Å; I505-Q509 WeakPolarHBondContact O-CB 3.39Å; I505-Q509 VanDerWaalsContact O-CG 3.23Å; I505-Q509 WeakPolarHBondContact O-CG 3.4Å; I505-Q509 PolarHBondContact O-N 3.26Å; Q506-Q509 PolarHBondContact O-N 3.05Å; Q509-E512 PolarHBondContact O-N 3.33Å; Q509-Q513 WeakPolarHBondContact O-CB 3.44Å; Q509-Q513 WeakPolarHBondContact O-CG 3.39Å; Q509-Q513 PolarHBondContact O-N 3.31Å
510W69.5Low64.6Low25 Ų2573.9 Ų73.910%0.09536%0.364CS..Hα-helixtrans-66.4-40.2176174.483.6000112.1Q506 F507 Q513 K514 M552 E553 L556Q506-W510 WeakPolarHBondContact O-CB 3.39Å; Q506-W510 PolarHBondContact O-N 2.95Å; F507-W510 HydrophobicContact CD2-CE3 4.31Å; F507-W510 HydrophobicContact CE2-CE3 4.14Å; F507-W510 HydrophobicContact CE2-CZ3 4.13Å; F507-W510 PolarHBondContact O-N 2.83Å; W510-Q513 PolarHBondContact O-N 3.08Å; W510-K514 HydrophobicContact CH2-CD 3.88Å; W510-K514 HydrophobicContact CZ2-CD 3.92Å; W510-K514 WeakPolarHBondContact O-CB 3.28Å; W510-K514 PolarHBondContact O-N 3.44Å; W510-M552 HydrophobicContact CB-CE 3.67Å; W510-M552 HydrophobicContact CD2-CB 4.31Å; W510-M552 HydrophobicContact CD2-CE 4.26Å; W510-M552 HydrophobicContact CG-CB 4.2Å; W510-M552 HydrophobicContact CG-CE 3.8Å; W510-M552 HydrophobicContact CG-CG 4.28Å; W510-E553 HydrophobicContact CH2-CG 4.41Å; W510-E553 HydrophobicContact CZ2-CG 3.76Å; W510-L556 HydrophobicContact CH2-CD2 4.16Å; W510-L556 HydrophobicContact CZ3-CD2 4.46Å
511L66.1Low65.3Low54 Ų5472.3 Ų72.328%0.28336%0.364SS..Hα-helixtrans-61.5-43.6173.2-78179.7000112F507 E508 K514 R515F507-L511 HydrophobicContact CD1-CD1 4.01Å; F507-L511 HydrophobicContact CD1-CG 4.49Å; F507-L511 HydrophobicContact CE1-CD1 3.4Å; F507-L511 VanDerWaalsContact CE1-CD1 3.4Å; F507-L511 HydrophobicContact CE1-CG 4.05Å; F507-L511 HydrophobicContact CE2-CG 4.36Å; F507-L511 HydrophobicContact CZ-CD1 3.71Å; F507-L511 HydrophobicContact CZ-CD2 4.24Å; F507-L511 HydrophobicContact CZ-CG 3.97Å; F507-L511 PolarHBondContact O-N 2.92Å; E508-L511 PolarHBondContact O-N 2.74Å; L511-K514 PolarHBondContact O-N 2.84Å; L511-R515 WeakPolarHBondContact O-CB 3.31Å; L511-R515 PolarHBondContact O-N 3.07Å
512E68.3Low65.7Low83 Ų8376 Ų7639%0.38837%0.366SS..Hα-helixtrans-68.6-39.5178.8-17664.917700111.6E508 Q509 R515 I516E508-E512 WeakPolarHBondContact O-CB 3.16Å; E508-E512 PolarHBondContact O-N 3.03Å; Q509-E512 PolarHBondContact O-N 3.33Å; E512-R515 VanDerWaalsContact CD-NH2 3.28Å; E512-R515 PolarHBondContact O-N 2.78Å; E512-R515 IonicContact OE1-CZ 3.45Å; E512-R515 IonicContact OE1-NE 3.59Å; E512-R515 IonicContact OE1-NH2 2.92Å; E512-R515 PolarHBondContact OE1-NH2 2.92Å; E512-R515 IonicContact OE2-CZ 2.75Å; E512-R515 IonicContact OE2-NE 3.25Å; E512-R515 PolarHBondContact OE2-NE 2.86Å; E512-R515 IonicContact OE2-NH2 2.69Å; E512-R515 PolarHBondContact OE2-NH2 3.37Å; E512-I516 HydrophobicContact CG-CD1 4.07Å; E512-I516 WeakPolarHBondContact O-CB 3.28Å; E512-I516 WeakPolarHBondContact O-CD1 3.43Å; E512-I516 VanDerWaalsContact O-CG1 3.24Å; E512-I516 WeakPolarHBondContact O-CG1 3.49Å; E512-I516 PolarHBondContact O-N 2.73Å
513Q72.2Confident65.8Low120 Ų12077.9 Ų77.956%0.56138%0.379SS*.Hα-helixtrans-59.3-46170.2-76.4176.5-1300111.6Q509 W510 R515 I516 I517Q509-Q513 WeakPolarHBondContact O-CB 3.44Å; Q509-Q513 WeakPolarHBondContact O-CG 3.39Å; Q509-Q513 PolarHBondContact O-N 3.31Å; W510-Q513 PolarHBondContact O-N 3.08Å; Q513-R515 VanDerWaalsContact C-N 3.34Å; Q513-R515 PolarHBondContact O-N 2.9Å; Q513-I516 PolarHBondContact O-N 3.18Å; Q513-I517 VanDerWaalsContact O-CG1 3.28Å; Q513-I517 WeakPolarHBondContact O-CG1 3.32Å; Q513-I517 PolarHBondContact O-N 2.88Å
514K72.3Confident65.6Low70 Ų7078 Ų7830%0.30438%0.383SS..Hα-helixtrans-62.7-40.6176.7-173.1164.2-174162.10111.6W510 L511 I517 E518 E553W510-K514 HydrophobicContact CH2-CD 3.88Å; W510-K514 HydrophobicContact CZ2-CD 3.92Å; W510-K514 WeakPolarHBondContact O-CB 3.28Å; W510-K514 PolarHBondContact O-N 3.44Å; L511-K514 PolarHBondContact O-N 2.84Å; K514-I517 PolarHBondContact O-N 3.26Å; K514-E518 WeakPolarHBondContact O-CG 3.46Å; K514-E518 PolarHBondContact O-N 2.8Å; K514-E553 IonicContact NZ-OE1 3.69Å; K514-E553 PolarHBondContact NZ-OE1 3.17Å
515R68.9Low64.9Low112 Ų11279.5 Ų79.542%0.42341%0.406SS..Hα-helixtrans-62.8-44.3175.3-169.9175.773.791.3-0.6111.8L511 E512 Q513 I517 E518 E519L511-R515 WeakPolarHBondContact O-CB 3.31Å; L511-R515 PolarHBondContact O-N 3.07Å; E512-R515 VanDerWaalsContact CD-NH2 3.28Å; E512-R515 PolarHBondContact O-N 2.78Å; E512-R515 IonicContact OE1-CZ 3.45Å; E512-R515 IonicContact OE1-NE 3.59Å; E512-R515 IonicContact OE1-NH2 2.92Å; E512-R515 PolarHBondContact OE1-NH2 2.92Å; E512-R515 IonicContact OE2-CZ 2.75Å; E512-R515 IonicContact OE2-NE 3.25Å; E512-R515 PolarHBondContact OE2-NE 2.86Å; E512-R515 IonicContact OE2-NH2 2.69Å; E512-R515 PolarHBondContact OE2-NH2 3.37Å; Q513-R515 VanDerWaalsContact C-N 3.34Å; Q513-R515 PolarHBondContact O-N 2.9Å; R515-I517 VanDerWaalsContact C-N 3.32Å; R515-I517 PolarHBondContact O-N 3.45Å; R515-E518 PolarHBondContact O-N 3.25Å; R515-E519 HydrophobicContact CG-CG 4.37Å; R515-E519 WeakPolarHBondContact CG-OE1 3.3Å; R515-E519 IonicContact CZ-OE1 3.3Å; R515-E519 IonicContact CZ-OE2 3.54Å; R515-E519 IonicContact NE-OE1 3.51Å; R515-E519 VanDerWaalsContact NH1-CD 3.33Å; R515-E519 IonicContact NH1-OE1 2.67Å; R515-E519 PolarHBondContact NH1-OE1 3.1Å; R515-E519 IonicContact NH1-OE2 2.7Å; R515-E519 PolarHBondContact NH1-OE2 3.49Å; R515-E519 VanDerWaalsContact O-CB 3.29Å; R515-E519 WeakPolarHBondContact O-CB 3.33Å; R515-E519 VanDerWaalsContact O-CG 3.32Å; R515-E519 WeakPolarHBondContact O-CG 3.23Å; R515-E519 PolarHBondContact O-N 2.9Å
516I74.8Confident64Low84 Ų8481.5 Ų81.543%0.43142%0.417SS..Hα-helixtrans-62.3-39.7175-68.5162.8000111E512 Q513 T520E512-I516 HydrophobicContact CG-CD1 4.07Å; E512-I516 WeakPolarHBondContact O-CB 3.28Å; E512-I516 WeakPolarHBondContact O-CD1 3.43Å; E512-I516 VanDerWaalsContact O-CG1 3.24Å; E512-I516 WeakPolarHBondContact O-CG1 3.49Å; E512-I516 PolarHBondContact O-N 2.73Å; Q513-I516 PolarHBondContact O-N 3.18Å; I516-T520 WeakPolarHBondContact O-CB 3.49Å; I516-T520 WeakPolarHBondContact O-CG2 3.37Å; I516-T520 PolarHBondContact O-N 3.25Å; I516-T520 PolarHBondContact O-OG1 3.42Å
517I72.6Confident62.8Low90 Ų9085.5 Ų85.546%0.46243%0.433SS..Hα-helixtrans-65.6-45.9175.1-67.5164.6000110.7Q513 K514 R515 E519 T520 M521Q513-I517 VanDerWaalsContact O-CG1 3.28Å; Q513-I517 WeakPolarHBondContact O-CG1 3.32Å; Q513-I517 PolarHBondContact O-N 2.88Å; K514-I517 PolarHBondContact O-N 3.26Å; R515-I517 VanDerWaalsContact C-N 3.32Å; R515-I517 PolarHBondContact O-N 3.45Å; I517-E519 PolarHBondContact O-N 3.04Å; I517-T520 WeakPolarHBondContact CA-OG1 3.37Å; I517-T520 PolarHBondContact O-N 3.47Å; I517-T520 PolarHBondContact O-OG1 2.83Å; I517-M521 HydrophobicContact CG2-CE 3.8Å; I517-M521 HydrophobicContact CG2-SD 4.08Å; I517-M521 WeakPolarHBondContact O-CB 3.34Å; I517-M521 VanDerWaalsContact O-CG 3.27Å; I517-M521 WeakPolarHBondContact O-CG 3.36Å; I517-M521 PolarHBondContact O-N 3.32Å
518E68.6Low61.8Low82 Ų8291.9 Ų91.938%0.38346%0.464SS..Hα-helixtrans-65.9-36.2176.8-73.6-176.2-155.200113K514 R515 K522K514-E518 WeakPolarHBondContact O-CG 3.46Å; K514-E518 PolarHBondContact O-N 2.8Å; R515-E518 PolarHBondContact O-N 3.25Å; E518-K522 WeakPolarHBondContact O-CB 3.42Å; E518-K522 VanDerWaalsContact O-CD 3.31Å; E518-K522 WeakPolarHBondContact O-CD 3.29Å; E518-K522 WeakPolarHBondContact O-CG 3.48Å; E518-K522 PolarHBondContact O-N 2.78Å; E518-K522 IonicContact OE2-NZ 3.24Å; E518-K522 PolarHBondContact OE2-NZ 2.96Å
519E71.1Confident60.7Low89 Ų89102.3 Ų102.342%0.41650%0.502SS..Hα-helixtrans-73-36.1176.7-75.8175-172.600111.9R515 I517 K522 S523R515-E519 HydrophobicContact CG-CG 4.37Å; R515-E519 WeakPolarHBondContact CG-OE1 3.3Å; R515-E519 IonicContact CZ-OE1 3.3Å; R515-E519 IonicContact CZ-OE2 3.54Å; R515-E519 IonicContact NE-OE1 3.51Å; R515-E519 VanDerWaalsContact NH1-CD 3.33Å; R515-E519 IonicContact NH1-OE1 2.67Å; R515-E519 PolarHBondContact NH1-OE1 3.1Å; R515-E519 IonicContact NH1-OE2 2.7Å; R515-E519 PolarHBondContact NH1-OE2 3.49Å; R515-E519 VanDerWaalsContact O-CB 3.29Å; R515-E519 WeakPolarHBondContact O-CB 3.33Å; R515-E519 VanDerWaalsContact O-CG 3.32Å; R515-E519 WeakPolarHBondContact O-CG 3.23Å; R515-E519 PolarHBondContact O-N 2.9Å; I517-E519 PolarHBondContact O-N 3.04Å; E519-K522 PolarHBondContact O-N 3.33Å; E519-S523 VanDerWaalsContact O-CB 3.32Å; E519-S523 WeakPolarHBondContact O-CB 3.35Å; E519-S523 PolarHBondContact O-N 3.1Å; E519-S523 PolarHBondContact O-OG 3.4Å
520T69.5Low58.8Low78 Ų78104.6 Ų104.648%0.47952%0.515SS..Hα-helixtrans-68.8-40.3171.747.30000111.7I516 I517 K522 S523 S524I516-T520 WeakPolarHBondContact O-CB 3.49Å; I516-T520 WeakPolarHBondContact O-CG2 3.37Å; I516-T520 PolarHBondContact O-N 3.25Å; I516-T520 PolarHBondContact O-OG1 3.42Å; I517-T520 WeakPolarHBondContact CA-OG1 3.37Å; I517-T520 PolarHBondContact O-N 3.47Å; I517-T520 PolarHBondContact O-OG1 2.83Å; T520-K522 VanDerWaalsContact C-N 3.35Å; T520-K522 PolarHBondContact O-N 3.46Å; T520-S523 WeakPolarHBondContact CA-OG 3.19Å; T520-S523 PolarHBondContact O-N 2.9Å; T520-S523 PolarHBondContact O-OG 2.92Å; T520-S524 WeakPolarHBondContact O-CB 3.37Å; T520-S524 PolarHBondContact O-N 3.09Å; T520-S524 PolarHBondContact O-OG 2.88Å
521M63.1Low57Low104 Ų104106.7 Ų106.751%0.51254%0.544SS..Hα-helixtrans-64.2-34.8172.4-73.6178.4175.400113.3I517 S524I517-M521 HydrophobicContact CG2-CE 3.8Å; I517-M521 HydrophobicContact CG2-SD 4.08Å; I517-M521 WeakPolarHBondContact O-CB 3.34Å; I517-M521 VanDerWaalsContact O-CG 3.27Å; I517-M521 WeakPolarHBondContact O-CG 3.36Å; I517-M521 PolarHBondContact O-N 3.32Å; M521-S524 PolarHBondContact O-OG 2.84Å; M521-S524 VanDerWaalsContact O-OG 3.09Å
522K58.6Low55.2Low151 Ų151112.7 Ų112.766%0.65757%0.573SS**Hα-helixtrans-77.6-29.7176.3-74162.7-171.1154.60113.5E518 E519 T520E518-K522 WeakPolarHBondContact O-CB 3.42Å; E518-K522 VanDerWaalsContact O-CD 3.31Å; E518-K522 WeakPolarHBondContact O-CD 3.29Å; E518-K522 WeakPolarHBondContact O-CG 3.48Å; E518-K522 PolarHBondContact O-N 2.78Å; E518-K522 IonicContact OE2-NZ 3.24Å; E518-K522 PolarHBondContact OE2-NZ 2.96Å; E519-K522 PolarHBondContact O-N 3.33Å; T520-K522 VanDerWaalsContact C-N 3.35Å; T520-K522 PolarHBondContact O-N 3.46Å
523S57.5Low53.4Low97 Ų97117.4 Ų117.468%0.67860%0.595SS**Hα-helixtrans-88.4-25.317953.40000113.3E519 T520 G525E519-S523 VanDerWaalsContact O-CB 3.32Å; E519-S523 WeakPolarHBondContact O-CB 3.35Å; E519-S523 PolarHBondContact O-N 3.1Å; E519-S523 PolarHBondContact O-OG 3.4Å; T520-S523 WeakPolarHBondContact CA-OG 3.19Å; T520-S523 PolarHBondContact O-N 2.9Å; T520-S523 PolarHBondContact O-OG 2.92Å; S523-G525 PolarHBondContact O-N 2.94Å
524S52.1Low51.3Low46 Ų46120.9 Ų120.932%0.32261%0.611SS.*SBendtrans-68.6117157.6720000108.7T520 M521 I526T520-S524 WeakPolarHBondContact O-CB 3.37Å; T520-S524 PolarHBondContact O-N 3.09Å; T520-S524 PolarHBondContact O-OG 2.88Å; M521-S524 PolarHBondContact O-OG 2.84Å; M521-S524 VanDerWaalsContact O-OG 3.09Å; S524-I526 PolarHBondContact O-N 2.7Å
525G42.2Very low49.3Very low60 Ų60125.3 Ų125.362%0.61964%0.637SS**G310 helixtrans-67.522.8-17800000115.8S523 F527 Q528S523-G525 PolarHBondContact O-N 2.94Å; G525-F527 VanDerWaalsContact C-N 3.35Å; G525-F527 PolarHBondContact O-N 3.45Å; G525-Q528 PolarHBondContact O-N 2.72Å
526I43.3Very low47.4Very low100 Ų100125.5 Ų125.551%0.51365%0.651SS.*G310 helixtrans-71.6-29.6-170.3-61.1176000111.3S524 Q528 R529 M530S524-I526 PolarHBondContact O-N 2.7Å; I526-Q528 PolarHBondContact O-N 2.81Å; I526-R529 PolarHBondContact O-N 2.79Å; I526-M530 HydrophobicContact CG2-CE 4.16Å
527F38.3Very low45.4Very low188 Ų188129.8 Ų129.883%0.82567%0.673SS**G310 helixtrans-75.80.1178.7-101.1-80.1000115.8G525G525-F527 VanDerWaalsContact C-N 3.35Å; G525-F527 PolarHBondContact O-N 3.45Å
528Q40.4Very low43.5Very low186 Ų186128.8 Ų128.887%0.86969%0.685SS**G310 helixtrans-105.64.9173.4-85.9-175.9-22.200114.4G525 I526G525-Q528 PolarHBondContact O-N 2.72Å; I526-Q528 PolarHBondContact O-N 2.81Å
529R36Very low41.9Very low233 Ų233132.5 Ų132.588%0.87971%0.707SS**THydrogen-bonded Turntrans-134.6-5.8-177.5-88.5-167.9-175.6-173.82.8118.5I526I526-R529 PolarHBondContact O-N 2.79Å
530M30.2Very low40.1Very low145 Ų145133.4 Ų133.471%0.71472%0.721SS**  trans-121.480.9178.3-61.5-157.3-55.500112.3I526I526-M530 HydrophobicContact CG2-CE 4.16Å
531G29.8Very low38.4Very low69 Ų69137.5 Ų137.571%0.71174%0.739SS**SBendtrans-87.5132.214200000107.8
532M29Very low36.9Very low180 Ų180135.2 Ų135.289%0.88773%0.733SS**SBendtrans58.587.5170.3-51.1-63.8-74.300116.2
533E31Very low35.6Very low181 Ų181133.1 Ų133.185%0.84674%0.735SS**  178134.3126.1-98.9168.5-175.400110.9
534E27.3Very low34.6Very low194 Ų194134 Ų13491%0.90773%0.731SS**  trans-75.2126.3165.8-64.5177.5124.200108.6
535L31.2Very low34Very low162 Ų162136.3 Ų136.385%0.84874%0.74SS**  trans-153.3129.5152.7-109170.2000111.6
536T28Very low33.7Very low117 Ų117141.1 Ų141.172%0.71874%0.744SS**  trans-65.9143.2177.950.50000112.7
537I34.6Very low33.7Very low174 Ų174142.6 Ų142.689%0.89275%0.752SS**  trans-175.7125.1135.7-92.6146.1000110.7
538G32.1Very low34.2Very low68 Ų68139.5 Ų139.570%0.70174%0.74SS**  trans84.465.1131.200000123.3
539N35.2Very low34.8Very low161 Ų161132.7 Ų132.786%0.86171%0.713SS**  trans59.6161.5140.8-92.2-11.9000121.7
540P33.6Very low35.8Very low107 Ų107123.9 Ų123.970%0.69569%0.687SS**  cis-135.2117.6-30.832.8-13.5000112.6
541L32.4Very low37.2Very low164 Ų164125.4 Ų125.486%0.85969%0.685SS**  trans-97.1123.6154.6-82.7167.6000108
542S32.2Very low38.5Very low56 Ų56124 Ų12439%0.39266%0.66SS.*  trans-64142-172.268.90000111.5I544 N545S542-I544 PolarHBondContact O-N 2.87Å; S542-N545 PolarHBondContact O-N 3.07Å
543P31.8Very low40Very low108 Ų108119.3 Ų119.370%0.70164%0.636SS**Hα-helixtrans-57.1-22.1178.7-27.735.5000114.4F546 L547P543-F546 PolarHBondContact O-N 3.31Å; P543-L547 PolarHBondContact O-N 2.87Å; P543-L547 VanDerWaalsContact O-N 3.08Å
544I35.5Very low41.5Very low115 Ų115117.3 Ų117.359%0.5963%0.627SS**Hα-helixtrans-61.3-44.5-179.5-64.6165.1000111.2S542 F546 L547 E548S542-I544 PolarHBondContact O-N 2.87Å; I544-F546 VanDerWaalsContact C-N 3.3Å; I544-F546 PolarHBondContact O-N 3.12Å; I544-L547 PolarHBondContact O-N 2.76Å; I544-E548 PolarHBondContact O-N 2.97Å
545N40.9Very low43Very low95 Ų95113.3 Ų113.351%0.50861%0.607SS.*Hα-helixtrans-67.2-32.7-180-68.70.1000112S542 S549S542-N545 PolarHBondContact O-N 3.07Å; N545-S549 VanDerWaalsContact O-CB 3.29Å; N545-S549 WeakPolarHBondContact O-CB 3.35Å; N545-S549 PolarHBondContact O-N 3.3Å
546F35.5Very low44.2Very low160 Ų160107.5 Ų107.570%0.70258%0.576SS**Hα-helixtrans-71-35.8176.5-157.8-91.1000111.7P543 I544 S550P543-F546 PolarHBondContact O-N 3.31Å; I544-F546 VanDerWaalsContact C-N 3.3Å; I544-F546 PolarHBondContact O-N 3.12Å; F546-S550 WeakPolarHBondContact O-CB 3.27Å; F546-S550 PolarHBondContact O-N 3.38Å; F546-S550 PolarHBondContact O-OG 2.85Å
547L43.4Very low45.6Very low131 Ų131105.1 Ų105.169%0.68656%0.557SS**Hα-helixtrans-71.5-41.4177.4-156.874.7000112.3P543 I544 S550 R551P543-L547 PolarHBondContact O-N 2.87Å; P543-L547 VanDerWaalsContact O-N 3.08Å; I544-L547 PolarHBondContact O-N 2.76Å; L547-S550 PolarHBondContact O-N 2.83Å; L547-R551 WeakPolarHBondContact O-CB 3.32Å; L547-R551 PolarHBondContact O-N 3.29Å
548E49.3Very low46.6Very low124 Ų124101.1 Ų101.158%0.57953%0.534SS*.Hα-helixtrans-67.3-40.6174.1-70.6-160.8141.800112.4I544 S550 R551 M552I544-E548 PolarHBondContact O-N 2.97Å; E548-S550 PolarHBondContact O-N 2.67Å; E548-R551 PolarHBondContact O-N 2.9Å; E548-M552 PolarHBondContact O-N 2.84Å
549S52.8Low47.5Very low42 Ų42103.5 Ų103.529%0.29452%0.523SS..Hα-helixtrans-54.8-52.6170.7-176.10000110.8N545 R551 M552 E553N545-S549 VanDerWaalsContact O-CB 3.29Å; N545-S549 WeakPolarHBondContact O-CB 3.35Å; N545-S549 PolarHBondContact O-N 3.3Å; S549-R551 VanDerWaalsContact C-N 3.26Å; S549-R551 PolarHBondContact O-N 3.41Å; S549-M552 PolarHBondContact O-N 3.23Å; S549-M552 VanDerWaalsContact O-N 3.15Å; S549-E553 WeakPolarHBondContact O-CG 3.44Å; S549-E553 PolarHBondContact O-N 3.48Å
550S56.3Low48.1Very low48 Ų48102.6 Ų102.634%0.33651%0.507SS..Hα-helixtrans-57.8-37.1178.6-600000112.6F546 L547 E548 Q554F546-S550 WeakPolarHBondContact O-CB 3.27Å; F546-S550 PolarHBondContact O-N 3.38Å; F546-S550 PolarHBondContact O-OG 2.85Å; L547-S550 PolarHBondContact O-N 2.83Å; E548-S550 PolarHBondContact O-N 2.67Å; S550-Q554 VanDerWaalsContact O-CB 3.29Å; S550-Q554 WeakPolarHBondContact O-CB 3.09Å; S550-Q554 WeakPolarHBondContact O-CG 3.35Å; S550-Q554 PolarHBondContact O-N 3.47Å
551R59.1Low48.7Very low177 Ų177104.2 Ų104.267%0.66850%0.5SS*.Hα-helixtrans-72.5-36.2178.8-165.3178.7-173.5-171.83.7112.8L547 E548 S549 K555L547-R551 WeakPolarHBondContact O-CB 3.32Å; L547-R551 PolarHBondContact O-N 3.29Å; E548-R551 PolarHBondContact O-N 2.9Å; S549-R551 VanDerWaalsContact C-N 3.26Å; S549-R551 PolarHBondContact O-N 3.41Å; R551-K555 WeakPolarHBondContact O-CG 3.12Å; R551-K555 PolarHBondContact O-N 3.28Å; R551-K555 VanDerWaalsContact O-N 3.08Å
552M56.6Low49.3Very low41 Ų41102.3 Ų102.320%0.20248%0.481CS..Hα-helixtrans-74.8-39.3174.5-77.9-68.4-79.600111.9W510 E548 S549 K555 L556W510-M552 HydrophobicContact CB-CE 3.67Å; W510-M552 HydrophobicContact CD2-CB 4.31Å; W510-M552 HydrophobicContact CD2-CE 4.26Å; W510-M552 HydrophobicContact CG-CB 4.2Å; W510-M552 HydrophobicContact CG-CE 3.8Å; W510-M552 HydrophobicContact CG-CG 4.28Å; E548-M552 PolarHBondContact O-N 2.84Å; S549-M552 PolarHBondContact O-N 3.23Å; S549-M552 VanDerWaalsContact O-N 3.15Å; M552-K555 WeakPolarHBondContact O-CB 3.42Å; M552-K555 PolarHBondContact O-N 2.95Å; M552-K555 HydrophobicContact SD-CD 4.13Å; M552-L556 WeakPolarHBondContact O-CB 3.48Å; M552-L556 PolarHBondContact O-N 3.07Å
553E61.2Low49.7Very low80 Ų80104.7 Ų104.737%0.37448%0.484SS..Hα-helixtrans-66.6-36.3172.5-69-165152.200111.6W510 K514 S549 L556 E557W510-E553 HydrophobicContact CH2-CG 4.41Å; W510-E553 HydrophobicContact CZ2-CG 3.76Å; K514-E553 IonicContact NZ-OE1 3.69Å; K514-E553 PolarHBondContact NZ-OE1 3.17Å; S549-E553 WeakPolarHBondContact O-CG 3.44Å; S549-E553 PolarHBondContact O-N 3.48Å; E553-L556 PolarHBondContact O-N 2.91Å; E553-E557 WeakPolarHBondContact O-CB 3.37Å; E553-E557 PolarHBondContact O-N 3.45Å
554Q61.9Low50.1Low140 Ų140102.7 Ų102.765%0.65447%0.473SS*.Hα-helixtrans-59.4-46.3167.6-85.9-176.5-13.500112.1S550 L556 E557 E558S550-Q554 VanDerWaalsContact O-CB 3.29Å; S550-Q554 WeakPolarHBondContact O-CB 3.09Å; S550-Q554 WeakPolarHBondContact O-CG 3.35Å; S550-Q554 PolarHBondContact O-N 3.47Å; Q554-L556 VanDerWaalsContact C-N 3.31Å; Q554-L556 PolarHBondContact O-N 3.33Å; Q554-E557 PolarHBondContact O-N 3Å; Q554-E558 WeakPolarHBondContact O-CB 3.48Å; Q554-E558 PolarHBondContact O-N 3.15Å
555K59.3Low50.1Low110 Ų110102.6 Ų102.648%0.47847%0.473SS..Hα-helixtrans-60.7-39.4174.9-76.8178.7177.6179.90112.4R551 M552 Y559R551-K555 WeakPolarHBondContact O-CG 3.12Å; R551-K555 PolarHBondContact O-N 3.28Å; R551-K555 VanDerWaalsContact O-N 3.08Å; M552-K555 WeakPolarHBondContact O-CB 3.42Å; M552-K555 PolarHBondContact O-N 2.95Å; M552-K555 HydrophobicContact SD-CD 4.13Å; K555-Y559 VanDerWaalsContact O-CB 3.31Å; K555-Y559 WeakPolarHBondContact O-CB 3.33Å; K555-Y559 PolarHBondContact O-N 3.4Å
556L56.9Low49.6Very low39 Ų39101.5 Ų101.520%0.20448%0.483CS..Hα-helixtrans-69.7-41.6178.8-170.769.8000111.7F507 W510 M552 E553 Q554 Y559 R560F507-L556 HydrophobicContact CE2-CD1 4.16Å; W510-L556 HydrophobicContact CH2-CD2 4.16Å; W510-L556 HydrophobicContact CZ3-CD2 4.46Å; M552-L556 WeakPolarHBondContact O-CB 3.48Å; M552-L556 PolarHBondContact O-N 3.07Å; E553-L556 PolarHBondContact O-N 2.91Å; Q554-L556 VanDerWaalsContact C-N 3.31Å; Q554-L556 PolarHBondContact O-N 3.33Å; L556-Y559 WeakPolarHBondContact O-CB 3.49Å; L556-Y559 PolarHBondContact O-N 3.04Å; L556-R560 WeakPolarHBondContact O-CG 3.34Å; L556-R560 PolarHBondContact O-N 2.73Å
557E56.2Low49.4Very low67 Ų6799.3 Ų99.331%0.31349%0.487SS..Hα-helixtrans-69.4-36.3175.6-179.358.9-168.200111.3E553 Q554 Y559 R560 R561E553-E557 WeakPolarHBondContact O-CB 3.37Å; E553-E557 PolarHBondContact O-N 3.45Å; Q554-E557 PolarHBondContact O-N 3Å; E557-Y559 VanDerWaalsContact C-N 3.35Å; E557-R560 PolarHBondContact O-N 2.83Å; E557-R560 IonicContact OE2-NH1 3.33Å; E557-R561 HydrophobicContact CG-CG 4.49Å; E557-R561 VanDerWaalsContact O-CB 3.3Å; E557-R561 WeakPolarHBondContact O-CB 3.1Å; E557-R561 VanDerWaalsContact O-CG 3.26Å; E557-R561 WeakPolarHBondContact O-CG 3.31Å; E557-R561 PolarHBondContact O-N 3.38Å; E557-R561 IonicContact OE1-CZ 3.4Å; E557-R561 IonicContact OE1-NE 2.77Å; E557-R561 PolarHBondContact OE1-NE 3.23Å; E557-R561 IonicContact OE1-NH2 3.15Å; E557-R561 PolarHBondContact OE1-NH2 3.42Å; E557-R561 VanDerWaalsContact OE1-NH2 3.15Å
558E56.9Low48.6Very low90 Ų9099 Ų9942%0.42149%0.486SS..Hα-helixtrans-66.6-37.3171.7-160.9-169.4-152.700111Q554 R562Q554-E558 WeakPolarHBondContact O-CB 3.48Å; Q554-E558 PolarHBondContact O-N 3.15Å; E558-R562 VanDerWaalsContact O-CB 3.25Å; E558-R562 WeakPolarHBondContact O-CB 3.49Å; E558-R562 WeakPolarHBondContact O-CG 3.27Å; E558-R562 PolarHBondContact O-N 2.92Å; E558-R562 IonicContact OE1-CZ 3.39Å; E558-R562 IonicContact OE1-NH1 3.56Å; E558-R562 IonicContact OE1-NH2 2.71Å; E558-R562 PolarHBondContact OE1-NH2 3.24Å; E558-R562 IonicContact OE2-CZ 3.37Å; E558-R562 IonicContact OE2-NH1 2.7Å; E558-R562 PolarHBondContact OE2-NH1 3.3Å; E558-R562 IonicContact OE2-NH2 3.33Å; E558-R562 PolarHBondContact OE2-NH2 3.16Å
559Y50.1Low47.6Very low118 Ų11898.1 Ų98.146%0.46349%0.489SS..Hα-helixtrans-67.7-37.3171.7-170-100000112.4K555 L556 E557 K563K555-Y559 VanDerWaalsContact O-CB 3.31Å; K555-Y559 WeakPolarHBondContact O-CB 3.33Å; K555-Y559 PolarHBondContact O-N 3.4Å; L556-Y559 WeakPolarHBondContact O-CB 3.49Å; L556-Y559 PolarHBondContact O-N 3.04Å; E557-Y559 VanDerWaalsContact C-N 3.35Å; Y559-K563 PolarHBondContact O-N 3.42Å
560R48.9Very low46.6Very low143 Ų143105.9 Ų105.954%0.5452%0.521SS..Hα-helixtrans-67.7-47.2172.8-75.7175.4-177.3146.4-1.6112L556 E557 K563 S564L556-R560 WeakPolarHBondContact O-CG 3.34Å; L556-R560 PolarHBondContact O-N 2.73Å; E557-R560 PolarHBondContact O-N 2.83Å; E557-R560 IonicContact OE2-NH1 3.33Å; R560-K563 CarbonylContact O-C 3.58Å; R560-K563 VanDerWaalsContact O-CA 3.29Å; R560-K563 WeakPolarHBondContact O-CA 3.43Å; R560-K563 WeakPolarHBondContact O-CB 3.5Å; R560-K563 PolarHBondContact O-N 3.3Å; R560-S564 PolarHBondContact O-N 3.49Å
561R45.7Very low45.4Very low141 Ų141112.7 Ų112.753%0.53254%0.544SS..Hα-helixtrans-63.5-42.9176.9-74.3179.2-170.6-171.13.1111.7E557 K563 S564 I565E557-R561 HydrophobicContact CG-CG 4.49Å; E557-R561 VanDerWaalsContact O-CB 3.3Å; E557-R561 WeakPolarHBondContact O-CB 3.1Å; E557-R561 VanDerWaalsContact O-CG 3.26Å; E557-R561 WeakPolarHBondContact O-CG 3.31Å; E557-R561 PolarHBondContact O-N 3.38Å; E557-R561 IonicContact OE1-CZ 3.4Å; E557-R561 IonicContact OE1-NE 2.77Å; E557-R561 PolarHBondContact OE1-NE 3.23Å; E557-R561 IonicContact OE1-NH2 3.15Å; E557-R561 PolarHBondContact OE1-NH2 3.42Å; E557-R561 VanDerWaalsContact OE1-NH2 3.15Å; R561-K563 PolarHBondContact O-N 2.67Å; R561-K563 VanDerWaalsContact O-N 3.16Å; R561-S564 PolarHBondContact O-N 2.7Å; R561-I565 HydrophobicContact CB-CD1 3.92Å; R561-I565 VanDerWaalsContact O-CB 3.31Å; R561-I565 WeakPolarHBondContact O-CB 3.48Å; R561-I565 WeakPolarHBondContact O-CD1 3.19Å; R561-I565 WeakPolarHBondContact O-CG1 3.38Å; R561-I565 PolarHBondContact O-N 3.01Å
562R44Very low44Very low124 Ų124108.4 Ų108.447%0.46854%0.541SS..Hα-helixtrans-59.4-23.5170.1-75.4175.5-179.3127.76.5112.9E558E558-R562 VanDerWaalsContact O-CB 3.25Å; E558-R562 WeakPolarHBondContact O-CB 3.49Å; E558-R562 WeakPolarHBondContact O-CG 3.27Å; E558-R562 PolarHBondContact O-N 2.92Å; E558-R562 IonicContact OE1-CZ 3.39Å; E558-R562 IonicContact OE1-NH1 3.56Å; E558-R562 IonicContact OE1-NH2 2.71Å; E558-R562 PolarHBondContact OE1-NH2 3.24Å; E558-R562 IonicContact OE2-CZ 3.37Å; E558-R562 IonicContact OE2-NH1 2.7Å; E558-R562 PolarHBondContact OE2-NH1 3.3Å; E558-R562 IonicContact OE2-NH2 3.33Å; E558-R562 PolarHBondContact OE2-NH2 3.16Å
563K41.7Very low42.6Very low105 Ų105114.4 Ų114.446%0.45757%0.574SS.*Hα-helixtrans-85-31.6170.2-112.1-175.5175.3-173.50114.2P228 Y559 R560 R561P228-K563 PolarHBondContact O-NZ 3.09Å; P228-K563 VanDerWaalsContact O-NZ 3.08Å; Y559-K563 PolarHBondContact O-N 3.42Å; R560-K563 CarbonylContact O-C 3.58Å; R560-K563 VanDerWaalsContact O-CA 3.29Å; R560-K563 WeakPolarHBondContact O-CA 3.43Å; R560-K563 WeakPolarHBondContact O-CB 3.5Å; R560-K563 PolarHBondContact O-N 3.3Å; R561-K563 PolarHBondContact O-N 2.67Å; R561-K563 VanDerWaalsContact O-N 3.16Å
564S39.3Very low41.1Very low67 Ų67121.4 Ų121.447%0.46960%0.597SS.*Hα-helixtrans-95.3-19.5-175.478.60000114.9R560 R561 G566 C567R560-S564 PolarHBondContact O-N 3.49Å; R561-S564 PolarHBondContact O-N 2.7Å; S564-G566 PolarHBondContact O-N 3.14Å; S564-C567 PolarHBondContact O-N 3.49Å
565I35.5Very low39.4Very low113 Ų113122.2 Ų122.258%0.57961%0.605SS**THydrogen-bonded Turntrans-70.615176.8-67.6165000112.1R561R561-I565 HydrophobicContact CB-CD1 3.92Å; R561-I565 VanDerWaalsContact O-CB 3.31Å; R561-I565 WeakPolarHBondContact O-CB 3.48Å; R561-I565 WeakPolarHBondContact O-CD1 3.19Å; R561-I565 WeakPolarHBondContact O-CG1 3.38Å; R561-I565 PolarHBondContact O-N 3.01Å
566G32Very low37.7Very low71 Ų71121.7 Ų121.773%0.73262%0.615SS**THydrogen-bonded Turntrans-94.7-9161.600000114.5S564S564-G566 PolarHBondContact O-N 3.14Å
567C29.9Very low36.2Very low115 Ų115129.3 Ų129.378%0.77764%0.643SS**SBendtrans-108.513.6-179-75.50000114.2S564 T569S564-C567 PolarHBondContact O-N 3.49Å; C567-T569 PolarHBondContact O-N 2.72Å
568D26.5Very low34.8Very low125 Ų125132.9 Ų132.967%0.66866%0.663SS**  trans-90.477.1171.6-72-37.4000111.2
569T29.6Very low33.3Very low105 Ų105139.1 Ų139.164%0.64469%0.689SS**  trans-131.186.2154.950.60000111.5C567 K571C567-T569 PolarHBondContact O-N 2.72Å; T569-K571 PolarHBondContact O-N 3.31Å
570E32.3Very low32.1Very low205 Ų205141.8 Ų141.896%0.95871%0.705SS**THydrogen-bonded Turntrans-63.639.3150.3-62-175.1127.200111.6
571K30.5Very low31Very low190 Ų190143.8 Ų143.883%0.82672%0.721SS**THydrogen-bonded Turntrans-14015.9-171-78.1-164.1173.3-174.60114.4T569T569-K571 PolarHBondContact O-N 3.31Å
572S28.5Very low30.1Very low87 Ų87142.6 Ų142.661%0.60873%0.734SS**  trans-120.726.8170.5-162.50000114.7R574S572-R574 PolarHBondContact O-N 3.29Å
573N28.6Very low29.3Very low168 Ų168140.4 Ų140.490%0.89875%0.75SS**THydrogen-bonded Turntrans-82.645.2163.6-85.2-6.9000111.6
574R28.2Very low28.4Very low226 Ų226141.6 Ų141.685%0.85377%0.77SS**THydrogen-bonded Turntrans-146.715.5-174.1-122.8-179.2-175.2-168.50.3117.5S572S572-R574 PolarHBondContact O-N 3.29Å
575L26.5Very low27.8Very low157 Ų157146.8 Ų146.882%0.82279%0.792SS**  trans-119.652.6165.9-73.4173.4000110.9Y577L575-Y577 VanDerWaalsContact C-N 3.32Å; L575-Y577 PolarHBondContact O-N 3.18Å
576S24.2Very low27.2Very low99 Ų99149.5 Ų149.569%0.69280%0.802SS**  trans-93.957.6168.358.70000110.8
577Y26Very low27.1Very low200 Ų200154.7 Ų154.778%0.78481%0.812SS**  trans-152.6127.8166.8-73.7-83.5000103.3L575L575-Y577 VanDerWaalsContact C-N 3.32Å; L575-Y577 PolarHBondContact O-N 3.18Å
578I25.3Very low27Very low142 Ų142155.4 Ų155.473%0.72881%0.808SS**SBendcis-143.2115.334.4-64154.6000108.8
579F26.8Very low27Very low220 Ų220155.1 Ų155.197%0.96581%0.813SS**  trans-164.788.2153.5-90.8-64.6000106.1
580H23.9Very low27Very low175 Ų175159 Ų15981%0.8182%0.821SS**  trans-118.583.5-173.3-168.3-72.1000110.4
581E27.1Very low27Very low184 Ų184159.2 Ų159.286%0.8682%0.819SS**  trans-116.2112.7160.4-76.7-167.7143.100109.9
582S26.3Very low27Very low117 Ų117155.8 Ų155.882%0.81882%0.819SS**SBendtrans61.997.9145.1-45.90000119.4
583G26.5Very low26.9Very low78 Ų78161 Ų16180%0.80483%0.831SS**  trans158.488.7158.900000115.3
584C22.8Very low27Very low130 Ų130163.6 Ų163.688%0.87883%0.828SS**  trans-75.5138.3178.7-59.90000112.4
585L27.5Very low27Very low175 Ų175159.9 Ų159.992%0.91683%0.825SS**  trans-173.7107.7137.1-103.7158.6000110.7
586E22.8Very low27Very low171 Ų171162 Ų16280%0.79983%0.827SS**  trans-83.1139.1174.8-61.5-175.2135.800111.9
587L28.7Very low27.1Very low179 Ų179166.6 Ų166.694%0.93784%0.838SS**  trans-138.3126.5153.6-83.2178.3000111.6
588N27.7Very low27.1Very low131 Ų131163.3 Ų163.370%0.70184%0.843SS**  trans-77.4143.2-171.9-102.1-90.1000113.9
589P27.6Very low27.2Very low119 Ų119159.7 Ų159.777%0.77384%0.841SS**  trans-101.3121.7169.935-28.7000113.1
590K29.7Very low27.2Very low186 Ų186157.3 Ų157.381%0.80984%0.837SS**  trans-147.3141.4166.9-74.2-170.6178.5171.70112.9
591K31.9Very low27.3Very low209 Ų209158.4 Ų158.491%0.90984%0.84SS**  trans76140172.2-51.8173.7-175.7177.20114.1
592S31.2Very low27.3Very low118 Ų118156 Ų15683%0.82584%0.842SS**  cis-150.4166.50.172.60000112.3
593K26.8Very low27.3Very low198 Ų198159.5 Ų159.586%0.86185%0.845SS**  trans-84.4131.1170.1-69.6173.7170.1174.30110.9
594R28.8Very low27.3Very low221 Ų221160.6 Ų160.683%0.83484%0.84SS**  trans-166.5156.9134.9-119.7176.7-76.6-165.10.2113.4
595D28.5Very low27.6Very low148 Ų148164.4 Ų164.479%0.79184%0.842SS**  trans69.4118.5161.1-51-29.6000121.2
596K27.9Very low27.7Very low202 Ų202164.4 Ų164.488%0.87884%0.84SS**  trans-92.5114164.4-65.8172176.1177.10108
597Q26.4Very low27.9Very low195 Ų195161.6 Ų161.691%0.91184%0.839SS**  trans163.693.3143.3-96.4177.2-27.800110.4
598C26.2Very low28.1Very low131 Ų131162.7 Ų162.789%0.88584%0.836SS**  trans-139126.1156.4-85.50000105.4
599G27.4Very low28.2Very low67 Ų67166.6 Ų166.669%0.69185%0.847SS**  cis78.6105.515.700000109.5F601G599-F601 PolarHBondContact O-N 3.01Å
600L26.1Very low28.3Very low169 Ų169170.2 Ų170.289%0.88585%0.851SS**SBendtrans-4.6114164.1-66.2152.1000115.7
601F25.7Very low28.3Very low199 Ų199170.2 Ų170.287%0.87385%0.854SS**  trans175.3116.8133.1-110.6-82000109.9G599G599-F601 PolarHBondContact O-N 3.01Å
602C27.9Very low28.2Very low134 Ų134166.9 Ų166.991%0.90585%0.846SS**  trans-172.955.3150-109.10000111.1
603H25.2Very low28.1Very low190 Ų190169.3 Ų169.388%0.8884%0.841SS**  trans-59.3133.5144.1-112.9-102.6000107.2
604S27.5Very low28.2Very low101 Ų101168.6 Ų168.671%0.70684%0.839SS**  trans138.834160.1-160.50000116.1
605F28.7Very low28.3Very low209 Ų209164.5 Ų164.592%0.91784%0.838SS**SBendtrans-139.317.9171.5-120.2-85.5000116.8
606M29.6Very low28.1Very low176 Ų176164.9 Ų164.987%0.86784%0.84SS**SBendtrans-112.99.9177.3-70.9-126.867.400114.5
607S27.7Very low28.1Very low112 Ų112160.2 Ų160.278%0.78384%0.839SS**THydrogen-bonded Turntrans-99.625.5-169.4-51.20000115.5
608K31Very low28.1Very low202 Ų202156.6 Ų156.688%0.87884%0.836SS**THydrogen-bonded Turntrans-134.113178.8-91-166174.1-173.50116.9
609F31.3Very low28Very low213 Ų213156.3 Ų156.393%0.93483%0.829SS**SBendtrans-112.841.9167.1-93.5-83.5000111.7
610K28.6Very low27.9Very low195 Ų195160.6 Ų160.685%0.84884%0.836SS**  trans-134.878.9175.8-115.5-166.3178.9-172.80109.4
611E29.6Very low27.7Very low185 Ų185159.3 Ų159.386%0.86483%0.83SS**  trans-162.3143.6161.6-113.1154.1-155.100109.7
612N31.1Very low27.7Very low140 Ų140160.1 Ų160.175%0.74983%0.829SS**  trans71.290.2-170.2-53.9-32.1000114.5
613K28.8Very low27.5Very low168 Ų168158.1 Ų158.173%0.7382%0.816SS**  62.4128.777-61.9175.8177.6177.50111.9
614F28.5Very low27.5Very low184 Ų184156 Ų15681%0.80781%0.811SS**  cis-138.8-173.311.3-62.8-96.4000109.3
615V30.5Very low27.4Very low134 Ų134158.1 Ų158.181%0.81282%0.815SS**  cis-139.2161.63.9-165.10000108.6
616D23.5Very low27.3Very low156 Ų156153.7 Ų153.783%0.83481%0.807SS**  trans-70.4147170.3-65.1-70.5000114.8
617A28.2Very low27.1Very low105 Ų105151.5 Ų151.587%0.86880%0.803SS**  trans-158.3134.3143.100000110.3
618S28.2Very low26.9Very low119 Ų119156.6 Ų156.683%0.83281%0.805SS**  trans-87.8150-165.951.90000115.8
619V22.6Very low26.6Very low124 Ų124154.6 Ų154.675%0.75280%0.803SS**  trans-19.4133.3156.8179.80000116.1
620L25.5Very low26.2Very low157 Ų157151.1 Ų151.182%0.82279%0.794SS**  trans-142125.6136.8-143.290.7000110Y622L620-Y622 HydrophobicContact CD2-CD2 4.47Å; L620-Y622 HydrophobicContact CD2-CE2 4.48Å
621D21.3Very low26Very low142 Ų142146.1 Ų146.176%0.75978%0.783SS**  trans-69.3138170.7-94.7-50.2000110.8
622Y26.4Very low25.8Very low217 Ų217143.5 Ų143.585%0.85177%0.773SS**  trans-148.2130.3143.9-103.4-73.9000111.1L620L620-Y622 HydrophobicContact CD2-CD2 4.47Å; L620-Y622 HydrophobicContact CD2-CE2 4.48Å
623S24.3Very low25.5Very low92 Ų92141.7 Ų141.764%0.64377%0.768SS**  trans-76.3139.9179.3510000112.3
624N24.8Very low25.3Very low144 Ų144138.3 Ų138.377%0.7777%0.765SS**  173.1150.1116-86-43.7000112.4
625N26.4Very low25.2Very low147 Ų147136.3 Ų136.379%0.78676%0.761SS**  trans68.199.7172.7-61.7-28.5000118.6V627N625-V627 PolarHBondContact O-N 3.42Å
626P25.2Very low25.1Very low116 Ų116135 Ų13575%0.75376%0.756SS**  trans-88.284.2170.935.7-32.5000111.8R628P626-R628 VanDerWaalsContact C-N 3.26Å; P626-R628 PolarHBondContact O-N 3.14Å; P626-R628 VanDerWaalsContact O-N 3.08Å
627V25.2Very low25.3Very low129 Ų129134.8 Ų134.878%0.78276%0.755SS**  trans-75.590.8152.3-179.90000106.5N625 L629N625-V627 PolarHBondContact O-N 3.42Å; V627-L629 PolarHBondContact O-N 3.44Å
628R24.2Very low25.1Very low220 Ų220140.5 Ų140.583%0.8375%0.754SS**  trans-67.284.4173.8-84.9-176.6170.2155.5-1.9109.9P626 L630P626-R628 VanDerWaalsContact C-N 3.26Å; P626-R628 PolarHBondContact O-N 3.14Å; P626-R628 VanDerWaalsContact O-N 3.08Å; R628-L630 PolarHBondContact O-N 3.2Å
629L24.6Very low25Very low159 Ų159142.3 Ų142.383%0.83275%0.753SS**  trans-60.193.9151.2-89.5161.3000107.4V627 S631V627-L629 PolarHBondContact O-N 3.44Å; L629-S631 VanDerWaalsContact C-N 3.26Å; L629-S631 PolarHBondContact O-N 2.94Å
630L23.6Very low25.1Very low141 Ų141142.2 Ų142.274%0.73875%0.753SS**  trans-69.292.7163.2-78.8169.6000107.3R628 I632R628-L630 PolarHBondContact O-N 3.2Å; L630-I632 HydrophobicContact CB-CG1 4.36Å; L630-I632 PolarHBondContact O-N 3.29Å
631S23.2Very low25.2Very low90 Ų90138.7 Ų138.763%0.62974%0.742SS**  trans-64.383.4165.242.60000109.4L629 T633L629-S631 VanDerWaalsContact C-N 3.26Å; L629-S631 PolarHBondContact O-N 2.94Å; S631-T633 PolarHBondContact O-N 2.74Å
632I24.9Very low25.3Very low129 Ų129137.3 Ų137.366%0.66274%0.743SS**  trans-76.564.7167.3-50.3-178.7000108.1L630L630-I632 HydrophobicContact CB-CG1 4.36Å; L630-I632 PolarHBondContact O-N 3.29Å
633T24.6Very low25.4Very low102 Ų102135.8 Ų135.863%0.62674%0.741SS**  trans-117.25016957.10000109.1S631S631-T633 PolarHBondContact O-N 2.74Å
634S25.9Very low25.5Very low97 Ų97138 Ų13868%0.67874%0.744SS**  trans-16666.317650.80000112.7
635I26.1Very low25.6Very low142 Ų142136.7 Ų136.773%0.72874%0.744SS**  trans-110.8105.3143.9-59.1-179.4000105.5D637I635-D637 PolarHBondContact O-N 2.9Å; I635-D637 VanDerWaalsContact O-N 3.11Å
636P28.5Very low25.7Very low108 Ų108139 Ų13970%0.70175%0.747SS**  trans-71.8105.4172.328.9-30.7000107.9R638P636-R638 VanDerWaalsContact C-N 3.32Å; P636-R638 PolarHBondContact O-N 3.24Å
637D26.7Very low25.8Very low150 Ų150140.9 Ų140.980%0.80275%0.751SS**  trans-60.5106156.2-90.9-26.3000106.5I635 L639I635-D637 PolarHBondContact O-N 2.9Å; I635-D637 VanDerWaalsContact O-N 3.11Å; D637-L639 PolarHBondContact O-N 3.05Å
638R24.7Very low26Very low225 Ų225140.5 Ų140.585%0.84975%0.749SS**  trans-75.274.8-171.1-161.2-173.8-159.1-161.46.8108.8P636 T640P636-R638 VanDerWaalsContact C-N 3.32Å; P636-R638 PolarHBondContact O-N 3.24Å; R638-T640 VanDerWaalsContact C-N 3.27Å; R638-T640 PolarHBondContact O-N 3.08Å
639L26.4Very low26.2Very low157 Ų157132.9 Ų132.982%0.82274%0.739SS**  trans-63.393.2168-82.5172.3000108.6D637 S641D637-L639 PolarHBondContact O-N 3.05Å; L639-S641 PolarHBondContact O-N 3.35Å
640T24.4Very low26.4Very low122 Ų122132.8 Ų132.875%0.74874%0.739SS**  trans-70.475.5163.850.30000108.8R638 S642R638-T640 VanDerWaalsContact C-N 3.27Å; R638-T640 PolarHBondContact O-N 3.08Å; T640-S642 PolarHBondContact O-N 3.23Å
641S27.4Very low26.7Very low83 Ų83135.3 Ų135.358%0.5875%0.747SS**  trans-81.2105.4157.753.90000108L639 F643L639-S641 PolarHBondContact O-N 3.35Å; S641-F643 VanDerWaalsContact C-N 3.34Å; S641-F643 PolarHBondContact O-N 3.31Å
642S24.6Very low27Very low113 Ų113135.8 Ų135.879%0.7975%0.75SS**  trans-70.188.5172.551.50000109.9T640T640-S642 PolarHBondContact O-N 3.23Å
643F27.8Very low27.2Very low186 Ų186140.2 Ų140.282%0.81676%0.76SS**  trans-84.2115.2163.1-86-81.9000109.6S641S641-F643 VanDerWaalsContact C-N 3.34Å; S641-F643 PolarHBondContact O-N 3.31Å
644I27Very low27.3Very low138 Ų138141 Ų14171%0.70877%0.77SS**  trans-68.5130.2176.2-63.5167.4000108F646I644-F646 PolarHBondContact O-N 3.11Å
645P27Very low27.5Very low117 Ų117141.9 Ų141.976%0.7678%0.776SS**  trans-75108178.429.6-32.8000110.3N647P645-N647 PolarHBondContact O-N 3.08Å
646F28.5Very low27.6Very low195 Ų195140.5 Ų140.586%0.85577%0.77SS**  trans-74.2111.8164.9-101-84.6000109.5I644 T648I644-F646 PolarHBondContact O-N 3.11Å; F646-T648 PolarHBondContact O-N 3.12Å
647N26.9Very low27.7Very low155 Ų155145.3 Ų145.383%0.82977%0.774SS**  trans-89.784-172.3-166.418.7000110.6P645 G649P645-N647 PolarHBondContact O-N 3.08Å; N647-G649 PolarHBondContact O-N 3.33Å
648T29.7Very low27.7Very low122 Ų122143 Ų14375%0.74877%0.768SS**  trans-8387.9170.151.50000110.1F646 N650F646-T648 PolarHBondContact O-N 3.12Å; T648-N650 PolarHBondContact O-N 3.24Å
649G27.8Very low28Very low60 Ų60141.4 Ų141.462%0.61976%0.764SS**  trans-71.487.6176.500000112.8N647 H651N647-G649 PolarHBondContact O-N 3.33Å; G649-H651 PolarHBondContact O-N 3.31Å
650N29.4Very low28.2Very low156 Ų156142 Ų14283%0.83476%0.762SS**  trans-79.394.8164-84.9-13.1000109.7T648 S652T648-N650 PolarHBondContact O-N 3.24Å; N650-S652 PolarHBondContact O-N 3.42Å
651H29.6Very low28.5Very low195 Ų195140.3 Ų140.390%0.90376%0.756SS**  trans-75.3101.3166.2-92.3-71.6000110.3G649G649-H651 PolarHBondContact O-N 3.31Å
652S30.1Very low28.6Very low100 Ų100144.4 Ų144.470%0.69976%0.763SS**  trans-79.2124.1171.355.10000111.9N650N650-S652 PolarHBondContact O-N 3.42Å
653Y28.7Very low29Very low222 Ų222145 Ų14587%0.87176%0.757SS**  trans61.5113.8147.1-78-93.9000121.4
654S26.1Very low29.1Very low117 Ų117141 Ų14182%0.81875%0.748SS**  77.690.8124.9-160.40000119.6
655S29.8Very low29.5Very low116 Ų116142.6 Ų142.681%0.81175%0.752SS**  trans-147114.1144.6-1680000111.1
656D29.2Very low29.6Very low114 Ų114141.2 Ų141.261%0.6175%0.746SS**  trans42124.5146.9-87.619.9000123.6
657R30.4Very low29.7Very low208 Ų208138.4 Ų138.479%0.78575%0.745SS**  trans85.899.8137.1-64.5172.8-153.1-157.44.2121.5
658C26.1Very low29.9Very low101 Ų101136.1 Ų136.168%0.68274%0.74SS**  90.6126.3111.6-71.10000122.4
659Y30.2Very low29.7Very low192 Ų192139.8 Ų139.875%0.75375%0.746SS**  trans88.3113.9149.2-65.8-57.6000121.8
660H32.3Very low30Very low170 Ų170142.1 Ų142.179%0.78775%0.75SS**  trans53146.8137.4-65.4-48.8000121
661S29.3Very low29.9Very low87 Ų87139.7 Ų139.761%0.60875%0.746SS**  cis-174.2140.1-18.7-168.20000108.6
662K30.8Very low30Very low168 Ų168140.1 Ų140.173%0.7375%0.748SS**  trans73.4131.8150.6-80.9180172.5-162.10123.3
663D32.6Very low29.7Very low126 Ų126143 Ų14367%0.67476%0.755SS**  trans68.4143131-54.1-11.2000120.4
664T30.7Very low29.8Very low103 Ų103139.5 Ų139.563%0.63276%0.757SS**  cis-169.7169.2-34.714.30000108.1
665H34Very low29.9Very low171 Ų171143 Ų14379%0.79276%0.76SS**  trans70.7163.3168.1-52.7-72.7000117.7
666S28.7Very low29.9Very low88 Ų88143.4 Ų143.462%0.61576%0.763SS**  cis-173.5172-44.360.80000108.6
667T31.9Very low29.7Very low136 Ų136149.2 Ų149.283%0.83478%0.777SS**  trans69.6160.217376.10000117.3
668S30.4Very low29.7Very low106 Ų106145.5 Ų145.574%0.74178%0.782SS**  cis-168.2156.3-40.654.30000110.6
669F25.4Very low29.8Very low200 Ų200144.3 Ų144.388%0.87779%0.787SS**  trans-21.9174.3159.8-81.8-85000120.5
670P33.8Very low29.5Very low108 Ų108141 Ų14170%0.70179%0.791SS**  cis-141.4179.81.728.9-3.1000118.8
671S27.1Very low29.2Very low106 Ų106141.2 Ų141.274%0.74180%0.797SS**  trans-7.2148156.363.70000124
672Q32Very low28.9Very low203 Ų203142.8 Ų142.895%0.94981%0.807SS**  trans-153.8152.4136.7-113.5175.932.600113.6
673L24.7Very low28.6Very low160 Ų160147.5 Ų147.584%0.83883%0.834SS**  trans-108.7140.2-177.6-105.3141.4000110.5
674T31.4Very low28.4Very low149 Ų149148.6 Ų148.691%0.91484%0.842SS**  trans-153.1141155.124.70000112.3
675Q26.2Very low28.3Very low191 Ų191150.9 Ų150.989%0.89385%0.853SS**  trans-92152.6176-62.8168.3-21.700111.1
676S30.1Very low28Very low124 Ų124149.8 Ų149.887%0.86786%0.857SS**  trans-151.1159.5146.8770000111.8
677R25.4Very low27.9Very low237 Ų237153.5 Ų153.589%0.89487%0.871SS**  trans-105168-165.2-71.1171.9162.1175-6.6113
678S30.1Very low27.7Very low129 Ų129154.6 Ų154.690%0.90287%0.873SS**  trans111.6146.5136.178.80000118
679G29.7Very low27.5Very low77 Ų77157.8 Ų157.879%0.79488%0.882SS**  trans134.774.916800000115.8
680C23.4Very low27.6Very low123 Ų123154.8 Ų154.883%0.83188%0.883SS**  trans-77.8150.1164.9-63.60000111.2
681L26.1Very low27.2Very low174 Ų174158.4 Ų158.491%0.91190%0.897SS**  175.8147.2113.4-96.4156.9000112.4
682C22.3Very low27.2Very low120 Ų120162.8 Ų162.881%0.81191%0.909SS**  trans-94.6152178.4-59.50000112.4
683M24.5Very low26.7Very low266 Ų266159.1 Ų159.1100%1.3191%0.906SS**  trans-1320134.7-89.2-166.7168.500108.1

Retrieved 683 of 683 residues in 1160.3 ms (Link to these results)

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