X5DNX9_HUMAN Loading...

Patched domain-containing protein 1

Required for the development and function of the thalamic reticular nucleus (TRN), a part of the thalamus that is critical for thalamocortical transmission, generation of sleep rhythms, sensorimotor processing and attention. Can bind cholesterol in vitro.

AlphaFold DB (Q96NR3), UniProt , Accession X5DNX9, Species HUMAN (Homo sapiens, Human), Gene PTCHD1, Length 888 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
1M66.4Low78.9Confident195 Ų195107.5 Ų107.596%0.96152%0.518SS*.  0-54.70-70.2-153.5-176.400112.3R3 Q4 V5M1-R3 PolarHBondContact O-N 3.14Å; M1-Q4 WeakPolarHBondContact O-CB 3.27Å; M1-Q4 PolarHBondContact O-N 2.86Å; M1-V5 PolarHBondContact O-N 3.03Å; M1-V5 VanDerWaalsContact O-N 3.08Å
2L70Confident80.1Confident145 Ų145103.7 Ų103.776%0.75951%0.507SS*.Hα-helixtrans-49-48-178.4-171.766.9000114.3Q4 V5 L6L2-Q4 VanDerWaalsContact C-N 3.34Å; L2-Q4 PolarHBondContact O-N 3.29Å; L2-V5 PolarHBondContact O-N 3.36Å; L2-V5 VanDerWaalsContact O-N 3.16Å; L2-L6 PolarHBondContact O-N 3.49Å
3R70Confident81.3Confident91 Ų91101.5 Ų101.534%0.34351%0.507SS..Hα-helixtrans-58.1-42177.4-58.6-168.8-170.8162.810.9113.6M1 L6 H7 A715 F716 A719M1-R3 PolarHBondContact O-N 3.14Å; R3-L6 PolarHBondContact O-N 2.87Å; R3-H7 VanDerWaalsContact O-CB 3.25Å; R3-H7 WeakPolarHBondContact O-CB 3.48Å; R3-H7 PolarHBondContact O-N 2.99Å; R3-A715 PolarHBondContact NH1-O 3.48Å; R3-A715 PolarHBondContact NH2-O 3.31Å; R3-F716 PolarHBondContact NE-O 3.32Å; R3-F716 PolarHBondContact NH2-O 3.46Å; R3-A719 PolarHBondContact NH1-O 3.47Å
4Q73.9Confident82.3Confident126 Ų12695.9 Ų95.959%0.58948%0.478SS*.Hα-helixtrans-67.9-37.8178.4-71174.8-2300111.4M1 L2 R8M1-Q4 WeakPolarHBondContact O-CB 3.27Å; M1-Q4 PolarHBondContact O-N 2.86Å; L2-Q4 VanDerWaalsContact C-N 3.34Å; L2-Q4 PolarHBondContact O-N 3.29Å; Q4-R8 WeakPolarHBondContact O-CB 3.32Å; Q4-R8 PolarHBondContact O-N 3.49Å
5V79.4Confident83.3Confident98 Ų9892.2 Ų92.259%0.59447%0.465SS*.Hα-helixtrans-65.1-46.6175175.80000110.4M1 L2 R8 G9M1-V5 PolarHBondContact O-N 3.03Å; M1-V5 VanDerWaalsContact O-N 3.08Å; L2-V5 PolarHBondContact O-N 3.36Å; L2-V5 VanDerWaalsContact O-N 3.16Å; V5-R8 PolarHBondContact O-N 3.46Å; V5-G9 PolarHBondContact O-N 2.98Å
6L79Confident84.2Confident75 Ų7597.9 Ų97.939%0.39348%0.48SS..Hα-helixtrans-61.1-49.7177.2-175.969.1000111.4L2 R3 R8 G9 L10 V718L2-L6 PolarHBondContact O-N 3.49Å; R3-L6 PolarHBondContact O-N 2.87Å; L6-R8 PolarHBondContact O-N 2.87Å; L6-G9 PolarHBondContact O-N 3.08Å; L6-L10 HydrophobicContact CD1-CD1 4.46Å; L6-L10 HydrophobicContact CG-CD1 4.14Å; L6-L10 WeakPolarHBondContact O-CB 3.41Å; L6-L10 WeakPolarHBondContact O-CG 3.27Å; L6-L10 PolarHBondContact O-N 3.15Å; L6-V718 HydrophobicContact CD2-CG2 3.94Å
7H79.8Confident84.9Confident59 Ų5995.1 Ų95.127%0.27347%0.467SS..Hα-helixtrans-60.2-44.9178.3-172.3-85000111.6R3 R11 L373R3-H7 VanDerWaalsContact O-CB 3.25Å; R3-H7 WeakPolarHBondContact O-CB 3.48Å; R3-H7 PolarHBondContact O-N 2.99Å; H7-R11 VanDerWaalsContact CE1-CD 3.46Å; H7-R11 WeakPolarHBondContact CE1-CD 3.24Å; H7-R11 VanDerWaalsContact O-CG 3.31Å; H7-R11 WeakPolarHBondContact O-CG 3.33Å; H7-R11 PolarHBondContact O-N 3.45Å; H7-L373 VanDerWaalsContact CD2-CD2 3.44Å; H7-L373 WeakPolarHBondContact CD2-CD2 3.39Å; H7-L373 VanDerWaalsContact NE2-CD2 3.31Å; H7-L373 WeakPolarHBondContact NE2-CD2 3.48Å
8R84Confident85.6Confident194 Ų19489.8 Ų89.873%0.73244%0.441SS*.Hα-helixtrans-64-42.9176.1-168175.9-173.3174.21.9111.5Q4 V5 L6 R11 T12Q4-R8 WeakPolarHBondContact O-CB 3.32Å; Q4-R8 PolarHBondContact O-N 3.49Å; V5-R8 PolarHBondContact O-N 3.46Å; L6-R8 PolarHBondContact O-N 2.87Å; R8-R11 PolarHBondContact O-N 3.12Å; R8-T12 PolarHBondContact O-N 3.32Å; R8-T12 PolarHBondContact O-OG1 3.39Å
9G88Confident86.2Confident34 Ų3489.6 Ų89.635%0.35144%0.438SS..Hα-helixtrans-60.4-48176.900000112.5V5 L6 T12 C13V5-G9 PolarHBondContact O-N 2.98Å; L6-G9 PolarHBondContact O-N 3.08Å; G9-T12 PolarHBondContact O-N 3.04Å; G9-C13 PolarHBondContact O-N 3.46Å; G9-C13 PolarHBondContact O-SG 2.87Å
10L87.5Confident86.8Confident59 Ų5990.4 Ų90.431%0.30944%0.44SS..Hα-helixtrans-62.1-44.7176.6-71.2172.1000111.8L6 T12 C13 F14 L373L6-L10 HydrophobicContact CD1-CD1 4.46Å; L6-L10 HydrophobicContact CG-CD1 4.14Å; L6-L10 WeakPolarHBondContact O-CB 3.41Å; L6-L10 WeakPolarHBondContact O-CG 3.27Å; L6-L10 PolarHBondContact O-N 3.15Å; L10-T12 VanDerWaalsContact C-N 3.32Å; L10-T12 PolarHBondContact O-N 2.83Å; L10-C13 WeakPolarHBondContact O-CB 3.45Å; L10-C13 PolarHBondContact O-N 3Å; L10-C13 VanDerWaalsContact O-N 3.13Å; L10-F14 VanDerWaalsContact O-CD2 3.22Å; L10-F14 WeakPolarHBondContact O-CD2 3.35Å; L10-F14 PolarHBondContact O-N 2.92Å; L10-L373 HydrophobicContact CB-CD1 3.93Å; L10-L373 HydrophobicContact CD1-CD1 3.76Å; L10-L373 HydrophobicContact CG-CD1 4.45Å
11R89.8Confident87.2Confident106 Ų10686.1 Ų86.140%0.442%0.419SS..Hα-helixtrans-59.8-41.4175.1-71.9-173.676.1-1778112.1H7 R8 C13 F14 S15 A369 L373H7-R11 VanDerWaalsContact CE1-CD 3.46Å; H7-R11 WeakPolarHBondContact CE1-CD 3.24Å; H7-R11 VanDerWaalsContact O-CG 3.31Å; H7-R11 WeakPolarHBondContact O-CG 3.33Å; H7-R11 PolarHBondContact O-N 3.45Å; R8-R11 PolarHBondContact O-N 3.12Å; R11-C13 VanDerWaalsContact C-N 3.35Å; R11-F14 PolarHBondContact O-N 3.15Å; R11-S15 VanDerWaalsContact O-CB 3.3Å; R11-S15 WeakPolarHBondContact O-CB 3.49Å; R11-S15 PolarHBondContact O-N 2.97Å; R11-A369 WeakPolarHBondContact CG-O 3.42Å; R11-A369 PolarHBondContact NE-O 3.07Å; R11-L373 HydrophobicContact CG-CD2 4.02Å
12T93.9Very high88.7Confident62 Ų6276.9 Ų76.938%0.3837%0.374SS..Hα-helixtrans-65.3-38.1175.1-57.10000111.9R8 G9 L10 S15 R16R8-T12 PolarHBondContact O-N 3.32Å; R8-T12 PolarHBondContact O-OG1 3.39Å; G9-T12 PolarHBondContact O-N 3.04Å; L10-T12 VanDerWaalsContact C-N 3.32Å; L10-T12 PolarHBondContact O-N 2.83Å; T12-S15 WeakPolarHBondContact O-CB 3.18Å; T12-S15 PolarHBondContact O-N 3.07Å; T12-R16 WeakPolarHBondContact O-CG 3.1Å; T12-R16 PolarHBondContact O-N 3.23Å
13C95Very high90Very high75 Ų7571.8 Ų71.851%0.50735%0.35SS..Hα-helixtrans-63.6-48.9175.4-660000111.5G9 L10 R11 S15 R16 L17G9-C13 PolarHBondContact O-N 3.46Å; G9-C13 PolarHBondContact O-SG 2.87Å; L10-C13 WeakPolarHBondContact O-CB 3.45Å; L10-C13 PolarHBondContact O-N 3Å; L10-C13 VanDerWaalsContact O-N 3.13Å; R11-C13 VanDerWaalsContact C-N 3.35Å; C13-S15 VanDerWaalsContact C-N 3.31Å; C13-S15 PolarHBondContact O-N 3.19Å; C13-R16 PolarHBondContact O-N 3.24Å; C13-L17 WeakPolarHBondContact O-CB 3.48Å; C13-L17 PolarHBondContact O-N 3.16Å
14F95.9Very high91.2Very high23 Ų2372.1 Ų72.110%0.10136%0.355CS..Hα-helixtrans-63.6-36.8176.3-74.3-59.5000112.3L10 R11 L17 G18 Y368 M372 L373 S376L10-F14 VanDerWaalsContact O-CD2 3.22Å; L10-F14 WeakPolarHBondContact O-CD2 3.35Å; L10-F14 PolarHBondContact O-N 2.92Å; R11-F14 PolarHBondContact O-N 3.15Å; F14-L17 HydrophobicContact CD1-CD2 4.28Å; F14-L17 PolarHBondContact O-N 3.09Å; F14-G18 PolarHBondContact O-N 3.2Å; F14-Y368 WeakPolarHBondContact CB-O 3.37Å; F14-Y368 WeakPolarHBondContact O-CB 3.41Å; F14-M372 HydrophobicContact CD1-CB 3.72Å; F14-M372 HydrophobicContact CE1-CB 3.95Å; F14-M372 HydrophobicContact CG-CB 4.04Å; F14-M372 HydrophobicContact CZ-CB 4.45Å; F14-L373 HydrophobicContact CD2-CB 4.32Å; F14-L373 HydrophobicContact CE2-CB 4.28Å; F14-L373 HydrophobicContact CE2-CD1 4.15Å; F14-S376 VanDerWaalsContact CZ-OG 3.31Å; F14-S376 WeakPolarHBondContact CZ-OG 3.17Å
15S96.6Very high92.3Very high41 Ų4167 Ų6729%0.28733%0.333SS..Hα-helixtrans-58.9-49.1173.6-173.30000112.1R11 T12 C13 L17 G18 H19 A365R11-S15 VanDerWaalsContact O-CB 3.3Å; R11-S15 WeakPolarHBondContact O-CB 3.49Å; R11-S15 PolarHBondContact O-N 2.97Å; T12-S15 WeakPolarHBondContact O-CB 3.18Å; T12-S15 PolarHBondContact O-N 3.07Å; C13-S15 VanDerWaalsContact C-N 3.31Å; C13-S15 PolarHBondContact O-N 3.19Å; S15-L17 VanDerWaalsContact C-N 3.31Å; S15-L17 PolarHBondContact O-N 3.19Å; S15-G18 PolarHBondContact O-N 3.17Å; S15-H19 PolarHBondContact O-N 3.02Å; S15-A365 WeakPolarHBondContact CA-O 3.49Å; S15-A365 VanDerWaalsContact O-CB 3.29Å; S15-A365 WeakPolarHBondContact O-CB 3.07Å
16R97.6Very high93.1Very high184 Ų18467.1 Ų67.169%0.69433%0.334SS*.Hα-helixtrans-61.9-40.2176-71.8177.8-178.8175.8-0.1111.9T12 C13 H19 F20T12-R16 WeakPolarHBondContact O-CG 3.1Å; T12-R16 PolarHBondContact O-N 3.23Å; C13-R16 PolarHBondContact O-N 3.24Å; R16-H19 PolarHBondContact O-N 3.19Å; R16-F20 WeakPolarHBondContact O-CB 3.37Å; R16-F20 PolarHBondContact O-N 3.38Å
17L96.9Very high93.9Very high50 Ų5069.8 Ų69.826%0.26234%0.342SS..Hα-helixtrans-63.7-45177.3-179.360.7000112C13 F14 S15 H19 F20 I21 Y368 L418C13-L17 WeakPolarHBondContact O-CB 3.48Å; C13-L17 PolarHBondContact O-N 3.16Å; F14-L17 HydrophobicContact CD1-CD2 4.28Å; F14-L17 PolarHBondContact O-N 3.09Å; S15-L17 VanDerWaalsContact C-N 3.31Å; S15-L17 PolarHBondContact O-N 3.19Å; L17-H19 VanDerWaalsContact C-N 3.33Å; L17-H19 PolarHBondContact O-N 3.35Å; L17-F20 WeakPolarHBondContact O-CB 3.45Å; L17-F20 PolarHBondContact O-N 2.74Å; L17-F20 VanDerWaalsContact O-N 3.16Å; L17-I21 HydrophobicContact CD1-CD1 3.98Å; L17-I21 HydrophobicContact CD1-CG1 4.42Å; L17-I21 HydrophobicContact CG-CD1 3.93Å; L17-I21 WeakPolarHBondContact O-CG1 3.37Å; L17-I21 PolarHBondContact O-N 2.85Å; L17-Y368 HydrophobicContact CG-CD1 4.47Å; L17-L418 HydrophobicContact CD2-CD1 3.79Å; L17-L418 HydrophobicContact CD2-CD2 4.19Å; L17-L418 HydrophobicContact CD2-CG 4.12Å
18G97Very high94.8Very high0 Ų068.4 Ų68.40%034%0.336CS..Hα-helixtrans-61.1-41.4175.400000112.1F14 S15 F20 I21 A22F14-G18 PolarHBondContact O-N 3.2Å; S15-G18 PolarHBondContact O-N 3.17Å; G18-F20 VanDerWaalsContact C-N 3.33Å; G18-F20 PolarHBondContact O-N 3.26Å; G18-I21 PolarHBondContact O-N 3.25Å; G18-A22 VanDerWaalsContact O-CB 3.31Å; G18-A22 WeakPolarHBondContact O-CB 3.39Å; G18-A22 PolarHBondContact O-N 3.43Å
19H97.2Very high95.3Very high85 Ų8560 Ų6039%0.39431%0.308SS..Hα-helixtrans-63.3-38.7174-169.488.4000112.6S15 R16 L17 S23 A365S15-H19 PolarHBondContact O-N 3.02Å; R16-H19 PolarHBondContact O-N 3.19Å; L17-H19 VanDerWaalsContact C-N 3.33Å; L17-H19 PolarHBondContact O-N 3.35Å; H19-S23 PolarHBondContact O-N 3.13Å; H19-S23 VanDerWaalsContact O-N 3.1Å; H19-S23 PolarHBondContact O-OG 3.06Å; H19-A365 HydrophobicContact CB-CB 4.15Å
20F97.6Very high95.8Very high106 Ų10660.7 Ų60.747%0.46531%0.307SS..Hα-helixtrans-67.1-46.1178.3-177.5-120.6000111.9R16 L17 G18 A22 S23 H24 F28R16-F20 WeakPolarHBondContact O-CB 3.37Å; R16-F20 PolarHBondContact O-N 3.38Å; L17-F20 WeakPolarHBondContact O-CB 3.45Å; L17-F20 PolarHBondContact O-N 2.74Å; L17-F20 VanDerWaalsContact O-N 3.16Å; G18-F20 VanDerWaalsContact C-N 3.33Å; G18-F20 PolarHBondContact O-N 3.26Å; F20-A22 VanDerWaalsContact C-N 3.34Å; F20-A22 PolarHBondContact O-N 3.35Å; F20-S23 WeakPolarHBondContact O-CB 3.29Å; F20-S23 PolarHBondContact O-N 2.79Å; F20-H24 AromaticContact CD2-CD2 3.87Å; F20-H24 AromaticContact CE2-CD2 3.52Å; F20-H24 AromaticContact CE2-NE2 3.8Å; F20-H24 PolarHBondContact O-N 3Å; F20-F28 AromaticContact CD1-CE2 3.97Å; F20-F28 HydrophobicContact CD1-CE2 3.97Å; F20-F28 AromaticContact CD1-CZ 3.86Å; F20-F28 HydrophobicContact CD1-CZ 3.86Å; F20-F28 AromaticContact CE1-CE2 3.87Å; F20-F28 HydrophobicContact CE1-CE2 3.87Å; F20-F28 AromaticContact CE1-CZ 3.6Å; F20-F28 HydrophobicContact CE1-CZ 3.6Å
21I96.9Very high96.2Very high0 Ų059.2 Ų59.20%030%0.303CS..Hα-helixtrans-62.5-43.3176-70.6158.3000110.8L17 G18 S23 H24 P25 F28 Y368 L418L17-I21 HydrophobicContact CD1-CD1 3.98Å; L17-I21 HydrophobicContact CD1-CG1 4.42Å; L17-I21 HydrophobicContact CG-CD1 3.93Å; L17-I21 WeakPolarHBondContact O-CG1 3.37Å; L17-I21 PolarHBondContact O-N 2.85Å; G18-I21 PolarHBondContact O-N 3.25Å; I21-S23 PolarHBondContact O-N 2.88Å; I21-S23 VanDerWaalsContact O-N 3.16Å; I21-H24 CarbonylContact O-C 3.26Å; I21-H24 VanDerWaalsContact O-C 3.26Å; I21-H24 PolarHBondContact O-N 2.95Å; I21-P25 WeakPolarHBondContact O-CA 3.48Å; I21-P25 WeakPolarHBondContact O-CD 3.35Å; I21-P25 VanDerWaalsContact O-N 3.09Å; I21-F28 HydrophobicContact CB-CD2 4.17Å; I21-F28 HydrophobicContact CB-CE2 4.47Å; I21-F28 HydrophobicContact CG1-CD1 4.23Å; I21-F28 HydrophobicContact CG1-CD2 3.83Å; I21-F28 HydrophobicContact CG1-CE1 4.26Å; I21-F28 HydrophobicContact CG1-CE2 3.87Å; I21-F28 HydrophobicContact CG1-CG 4.03Å; I21-F28 HydrophobicContact CG1-CZ 4.09Å; I21-F28 HydrophobicContact CG2-CB 4.23Å; I21-F28 HydrophobicContact CG2-CD2 4.22Å; I21-F28 HydrophobicContact CG2-CG 4.31Å; I21-Y368 HydrophobicContact CD1-CE1 3.56Å; I21-Y368 WeakPolarHBondContact CD1-OH 3.39Å; I21-L418 HydrophobicContact CD1-CD2 3.85Å; I21-L418 HydrophobicContact CD1-CG 4.4Å; I21-L418 WeakPolarHBondContact CD1-O 3.41Å
22A96.3Very high96.6Very high2 Ų254.3 Ų54.32%0.01729%0.285CS..Hα-helixtrans-64-19.1175.600000113.7G18 F20 K361 T364 V426G18-A22 VanDerWaalsContact O-CB 3.31Å; G18-A22 WeakPolarHBondContact O-CB 3.39Å; G18-A22 PolarHBondContact O-N 3.43Å; F20-A22 VanDerWaalsContact C-N 3.34Å; F20-A22 PolarHBondContact O-N 3.35Å; A22-K361 HydrophobicContact CB-CB 4.13Å; A22-K361 HydrophobicContact CB-CG 3.85Å; A22-T364 HydrophobicContact CB-CG2 4.08Å; A22-V426 HydrophobicContact CB-CG1 4.36Å; A22-V426 HydrophobicContact CB-CG2 3.76Å
23S96.8Very high96.8Very high37 Ų3753.6 Ų53.626%0.25928%0.281SS..Hα-helixtrans-85.5-20.4173.8-62.90000113.2H19 F20 I21 K361H19-S23 PolarHBondContact O-N 3.13Å; H19-S23 VanDerWaalsContact O-N 3.1Å; H19-S23 PolarHBondContact O-OG 3.06Å; F20-S23 WeakPolarHBondContact O-CB 3.29Å; F20-S23 PolarHBondContact O-N 2.79Å; I21-S23 PolarHBondContact O-N 2.88Å; I21-S23 VanDerWaalsContact O-N 3.16Å; S23-K361 PolarHBondContact OG-NZ 3.46Å
24H97.1Very high96.9Very high98 Ų9855 Ų5545%0.45428%0.282SS..SBendtrans-134.248.8-179.7-56.6-68.6000113.7F20 I21 V26 F27 F28F20-H24 AromaticContact CD2-CD2 3.87Å; F20-H24 AromaticContact CE2-CD2 3.52Å; F20-H24 AromaticContact CE2-NE2 3.8Å; F20-H24 PolarHBondContact O-N 3Å; I21-H24 CarbonylContact O-C 3.26Å; I21-H24 VanDerWaalsContact O-C 3.26Å; I21-H24 PolarHBondContact O-N 2.95Å; H24-V26 VanDerWaalsContact C-N 3.3Å; H24-V26 PolarHBondContact O-N 2.91Å; H24-F27 PolarHBondContact O-N 2.78Å; H24-F28 HydrophobicContact CB-CD2 4.16Å; H24-F28 HydrophobicContact CB-CE2 4.17Å; H24-F28 WeakPolarHBondContact O-CD2 3.39Å; H24-F28 PolarHBondContact O-N 3.21Å
25P96.1Very high97Very high18 Ų1857.2 Ų57.212%0.11730%0.295CS..Hα-helixtrans-64.7-31.3-169.326.4-35.7000113.3I21 F27 F28 A29 S423 V426 F427I21-P25 WeakPolarHBondContact O-CA 3.48Å; I21-P25 WeakPolarHBondContact O-CD 3.35Å; I21-P25 VanDerWaalsContact O-N 3.09Å; P25-F27 PolarHBondContact O-N 2.95Å; P25-F28 PolarHBondContact O-N 3.36Å; P25-A29 VanDerWaalsContact O-CB 3.25Å; P25-A29 WeakPolarHBondContact O-CB 3.29Å; P25-A29 PolarHBondContact O-N 2.96Å; P25-S423 VanDerWaalsContact O-CB 3.3Å; P25-S423 WeakPolarHBondContact O-CB 3.21Å; P25-S423 PolarHBondContact O-OG 2.96Å; P25-V426 HydrophobicContact CB-CB 4.32Å; P25-V426 HydrophobicContact CB-CG1 4.05Å; P25-V426 HydrophobicContact CG-CG1 4.13Å; P25-F427 HydrophobicContact CB-CE2 4.06Å; P25-F427 HydrophobicContact CB-CZ 4.02Å; P25-F427 HydrophobicContact CG-CE1 4.44Å; P25-F427 HydrophobicContact CG-CZ 4.2Å
26V96.4Very high97.1Very high101 Ų10155.2 Ų55.261%0.61228%0.281SS*.Hα-helixtrans-64.6-41.4179.1179.50000111.6H24 S30 F427H24-V26 VanDerWaalsContact C-N 3.3Å; H24-V26 PolarHBondContact O-N 2.91Å; V26-S30 WeakPolarHBondContact O-CB 3.49Å; V26-S30 PolarHBondContact O-N 3.08Å; V26-S30 PolarHBondContact O-OG 2.94Å; V26-F427 HydrophobicContact CG2-CZ 3.96Å
27F96.2Very high97Very high131 Ų13151.5 Ų51.558%0.57527%0.274SS*.Hα-helixtrans-65.9-48.8177.9173.6-100.9000110.9H24 P25 A29 S30 A31H24-F27 PolarHBondContact O-N 2.78Å; P25-F27 PolarHBondContact O-N 2.95Å; F27-A29 VanDerWaalsContact C-N 3.27Å; F27-A29 PolarHBondContact O-N 3.38Å; F27-S30 PolarHBondContact O-N 3.11Å; F27-S30 PolarHBondContact O-OG 3.01Å; F27-A31 PolarHBondContact O-N 3.16Å
28F97.4Very high96.9Very high31 Ų3155.1 Ų55.114%0.13629%0.292CS..Hα-helixtrans-70.1-20.8-179.3-74.9-71000113.9F20 I21 H24 P25 P32 S419 F420 S423F20-F28 AromaticContact CD1-CE2 3.97Å; F20-F28 HydrophobicContact CD1-CE2 3.97Å; F20-F28 AromaticContact CD1-CZ 3.86Å; F20-F28 HydrophobicContact CD1-CZ 3.86Å; F20-F28 AromaticContact CE1-CE2 3.87Å; F20-F28 HydrophobicContact CE1-CE2 3.87Å; F20-F28 AromaticContact CE1-CZ 3.6Å; F20-F28 HydrophobicContact CE1-CZ 3.6Å; I21-F28 HydrophobicContact CB-CD2 4.17Å; I21-F28 HydrophobicContact CB-CE2 4.47Å; I21-F28 HydrophobicContact CG1-CD1 4.23Å; I21-F28 HydrophobicContact CG1-CD2 3.83Å; I21-F28 HydrophobicContact CG1-CE1 4.26Å; I21-F28 HydrophobicContact CG1-CE2 3.87Å; I21-F28 HydrophobicContact CG1-CG 4.03Å; I21-F28 HydrophobicContact CG1-CZ 4.09Å; I21-F28 HydrophobicContact CG2-CB 4.23Å; I21-F28 HydrophobicContact CG2-CD2 4.22Å; I21-F28 HydrophobicContact CG2-CG 4.31Å; H24-F28 HydrophobicContact CB-CD2 4.16Å; H24-F28 HydrophobicContact CB-CE2 4.17Å; H24-F28 WeakPolarHBondContact O-CD2 3.39Å; H24-F28 PolarHBondContact O-N 3.21Å; P25-F28 PolarHBondContact O-N 3.36Å; F28-P32 WeakPolarHBondContact O-CD 3.41Å; F28-P32 WeakPolarHBondContact O-CG 3.4Å; F28-S419 CarbonylContact O-C 3.36Å; F28-S419 WeakPolarHBondContact O-CB 3.5Å; F28-F420 PolarHBondContact O-N 2.96Å; F28-S423 WeakPolarHBondContact CB-OG 3.36Å
29A96.1Very high96.9Very high18 Ų1856.7 Ų56.715%0.14930%0.301CS..Hα-helixtrans-80.4-41168.700000112.8P25 F27 V33 F420 S423 F427P25-A29 VanDerWaalsContact O-CB 3.25Å; P25-A29 WeakPolarHBondContact O-CB 3.29Å; P25-A29 PolarHBondContact O-N 2.96Å; F27-A29 VanDerWaalsContact C-N 3.27Å; F27-A29 PolarHBondContact O-N 3.38Å; A29-V33 WeakPolarHBondContact O-CG2 3.49Å; A29-F420 HydrophobicContact CB-CD2 4.48Å; A29-F420 VanDerWaalsContact O-CD2 3.32Å; A29-F420 WeakPolarHBondContact O-CD2 3.28Å; A29-S423 PolarHBondContact N-OG 3.38Å; A29-F427 HydrophobicContact CB-CE2 4.44Å
30S97.4Very high96.6Very high48 Ų4853.4 Ų53.434%0.33629%0.29SS..Hα-helixtrans-75.9-37.4-174.852.10000113.6V26 F27 V33 L34V26-S30 WeakPolarHBondContact O-CB 3.49Å; V26-S30 PolarHBondContact O-N 3.08Å; V26-S30 PolarHBondContact O-OG 2.94Å; F27-S30 PolarHBondContact O-N 3.11Å; F27-S30 PolarHBondContact O-OG 3.01Å; S30-V33 PolarHBondContact O-N 2.74Å; S30-L34 WeakPolarHBondContact O-CG 3.27Å; S30-L34 PolarHBondContact O-N 3.34Å
31A96.7Very high96.4Very high27 Ų2751.6 Ų51.622%0.22330%0.295CS..Hα-helixtrans-60.2-49.2-175.800000113.8F27 V33 L34 I35F27-A31 PolarHBondContact O-N 3.16Å; A31-V33 VanDerWaalsContact C-N 3.3Å; A31-V33 PolarHBondContact O-N 2.89Å; A31-L34 PolarHBondContact O-N 3.07Å; A31-I35 VanDerWaalsContact O-CG1 3.27Å; A31-I35 WeakPolarHBondContact O-CG1 3.43Å; A31-I35 PolarHBondContact O-N 3Å
32P98Very high96.2Very high4 Ų452.1 Ų52.13%0.02630%0.298CS..Hα-helixtrans-57.2-39.9174.8-31.440.8000114F28 S36 Y416 S419 F420F28-P32 WeakPolarHBondContact O-CD 3.41Å; F28-P32 WeakPolarHBondContact O-CG 3.4Å; P32-S36 VanDerWaalsContact O-CB 3.29Å; P32-S36 WeakPolarHBondContact O-CB 3Å; P32-S36 PolarHBondContact O-N 3.4Å; P32-S36 PolarHBondContact O-OG 2.93Å; P32-Y416 HydrophobicContact CB-CD1 3.58Å; P32-Y416 HydrophobicContact CB-CD2 4.21Å; P32-Y416 HydrophobicContact CB-CE1 3.57Å; P32-Y416 HydrophobicContact CB-CE2 4.21Å; P32-Y416 HydrophobicContact CB-CG 3.91Å; P32-Y416 HydrophobicContact CG-CD1 3.85Å; P32-Y416 HydrophobicContact CG-CE1 4.06Å; P32-Y416 HydrophobicContact CG-CG 4.46Å; P32-Y416 PolarHBondContact O-OH 3.35Å; P32-S419 WeakPolarHBondContact CG-OG 3.27Å; P32-F420 HydrophobicContact CB-CB 4.1Å; P32-F420 HydrophobicContact CG-CB 4.01Å
33V97.9Very high95.9Very high47 Ų4756.3 Ų56.329%0.28532%0.316SS..Hα-helixtrans-65.3-47.2178.7177.10000110.3A29 S30 A31 S36 I37 L309 F420A29-V33 WeakPolarHBondContact O-CG2 3.49Å; S30-V33 PolarHBondContact O-N 2.74Å; A31-V33 VanDerWaalsContact C-N 3.3Å; A31-V33 PolarHBondContact O-N 2.89Å; V33-S36 PolarHBondContact O-N 3.37Å; V33-I37 HydrophobicContact CG1-CD1 3.78Å; V33-I37 HydrophobicContact CG1-CG1 4.49Å; V33-I37 VanDerWaalsContact O-CG1 3.27Å; V33-I37 WeakPolarHBondContact O-CG1 3.42Å; V33-I37 PolarHBondContact O-N 3.23Å; V33-L309 HydrophobicContact CG2-CD1 3.92Å; V33-F420 HydrophobicContact CG2-CD2 3.89Å; V33-F420 HydrophobicContact CG2-CE2 3.56Å
34L97.6Very high95.5Very high103 Ų10359.7 Ų59.754%0.53934%0.34SS..Hα-helixtrans-62.4-45.5178.2-69.9171000112S30 A31 S36 I37 L38S30-L34 WeakPolarHBondContact O-CG 3.27Å; S30-L34 PolarHBondContact O-N 3.34Å; A31-L34 PolarHBondContact O-N 3.07Å; L34-S36 VanDerWaalsContact C-N 3.32Å; L34-S36 PolarHBondContact O-N 3.49Å; L34-I37 PolarHBondContact O-N 2.91Å; L34-L38 WeakPolarHBondContact O-CB 3.43Å; L34-L38 VanDerWaalsContact O-CG 3.28Å; L34-L38 WeakPolarHBondContact O-CG 3.48Å; L34-L38 PolarHBondContact O-N 2.75Å
35I97.5Very high95.3Very high70 Ų7062.2 Ų62.236%0.35935%0.345SS..Hα-helixtrans-59.8-45.1176.8-68.6167000110.4A31 I37 L38 L39 T313 Y416A31-I35 VanDerWaalsContact O-CG1 3.27Å; A31-I35 WeakPolarHBondContact O-CG1 3.43Å; A31-I35 PolarHBondContact O-N 3Å; I35-I37 PolarHBondContact O-N 3Å; I35-L38 PolarHBondContact O-N 3.13Å; I35-L39 HydrophobicContact CG2-CD1 3.71Å; I35-L39 WeakPolarHBondContact O-CB 3.43Å; I35-L39 PolarHBondContact O-N 3.3Å; I35-T313 HydrophobicContact CG2-CG2 4.3Å; I35-Y416 WeakPolarHBondContact CG2-OH 3.29Å
36S97.7Very high95.1Very high0 Ų066.1 Ų66.10%036%0.358CS..Hα-helixtrans-65.9-37.2179.8-55.60000112.5P32 V33 L34 G40 L309 T313 Y416P32-S36 VanDerWaalsContact O-CB 3.29Å; P32-S36 WeakPolarHBondContact O-CB 3Å; P32-S36 PolarHBondContact O-N 3.4Å; P32-S36 PolarHBondContact O-OG 2.93Å; V33-S36 PolarHBondContact O-N 3.37Å; L34-S36 VanDerWaalsContact C-N 3.32Å; L34-S36 PolarHBondContact O-N 3.49Å; S36-G40 VanDerWaalsContact O-CA 3.32Å; S36-G40 WeakPolarHBondContact O-CA 3.12Å; S36-G40 PolarHBondContact O-N 2.94Å; S36-L309 WeakPolarHBondContact OG-CB 3.5Å; S36-L309 PolarHBondContact OG-O 2.8Å; S36-T313 PolarHBondContact OG-OG1 2.93Å; S36-Y416 VanDerWaalsContact OG-CE2 3.32Å; S36-Y416 WeakPolarHBondContact OG-CE2 3.32Å; S36-Y416 PolarHBondContact OG-OH 3.39Å
37I95.9Very high94.9Very high105 Ų10566.2 Ų66.254%0.53835%0.352SS..Hα-helixtrans-67.5-47.1175.2-69.8167.2000110.5V33 L34 I35 G40 A41V33-I37 HydrophobicContact CG1-CD1 3.78Å; V33-I37 HydrophobicContact CG1-CG1 4.49Å; V33-I37 VanDerWaalsContact O-CG1 3.27Å; V33-I37 WeakPolarHBondContact O-CG1 3.42Å; V33-I37 PolarHBondContact O-N 3.23Å; L34-I37 PolarHBondContact O-N 2.91Å; I35-I37 PolarHBondContact O-N 3Å; I37-G40 PolarHBondContact O-N 2.95Å; I37-A41 PolarHBondContact O-N 3.19Å
38L95.9Very high94.7Very high126 Ų12662.5 Ų62.566%0.6634%0.34SS*.Hα-helixtrans-61.5-46.9-179.9-72.9169.7000111.5L34 I35 A41L34-L38 WeakPolarHBondContact O-CB 3.43Å; L34-L38 VanDerWaalsContact O-CG 3.28Å; L34-L38 WeakPolarHBondContact O-CG 3.48Å; L34-L38 PolarHBondContact O-N 2.75Å; I35-L38 PolarHBondContact O-N 3.13Å; L38-A41 WeakPolarHBondContact O-CB 3.37Å; L38-A41 PolarHBondContact O-N 2.95Å
39L95.4Very high94.4Very high34 Ų3462.2 Ų62.218%0.17834%0.339CS..Hα-helixtrans-74.1-32.4177.7-69.4170.1000111.8I35 A41 S42 T313 G316 I317 L320I35-L39 HydrophobicContact CG2-CD1 3.71Å; I35-L39 WeakPolarHBondContact O-CB 3.43Å; I35-L39 PolarHBondContact O-N 3.3Å; L39-A41 VanDerWaalsContact C-N 3.28Å; L39-A41 PolarHBondContact O-N 2.77Å; L39-S42 WeakPolarHBondContact O-CB 3.27Å; L39-S42 PolarHBondContact O-N 3.19Å; L39-S42 VanDerWaalsContact O-N 3.11Å; L39-S42 PolarHBondContact O-OG 3.46Å; L39-T313 HydrophobicContact CD1-CG2 3.62Å; L39-G316 WeakPolarHBondContact O-CA 3.49Å; L39-I317 HydrophobicContact CD1-CD1 4.28Å; L39-I317 HydrophobicContact CD1-CG1 4.04Å; L39-I317 HydrophobicContact CD2-CG1 4.22Å; L39-L320 HydrophobicContact CD2-CD1 3.51Å
40G92Very high93.8Very high15 Ų1567.2 Ų67.216%0.15536%0.36CS..Hα-helixtrans-64.6-26.1173.100000113.9S36 I37 S42 F43S36-G40 VanDerWaalsContact O-CA 3.32Å; S36-G40 WeakPolarHBondContact O-CA 3.12Å; S36-G40 PolarHBondContact O-N 2.94Å; I37-G40 PolarHBondContact O-N 2.95Å; G40-S42 PolarHBondContact O-N 2.96Å; G40-S42 VanDerWaalsContact O-N 3.12Å; G40-F43 WeakPolarHBondContact O-CD2 3.1Å; G40-F43 PolarHBondContact O-N 3.48Å
41A92.9Very high93.3Very high69 Ų6967.2 Ų67.257%0.5736%0.36SS*.G310 helixtrans-63-18172.500000113.1I37 L38 L39 F43 S44I37-A41 PolarHBondContact O-N 3.19Å; L38-A41 WeakPolarHBondContact O-CB 3.37Å; L38-A41 PolarHBondContact O-N 2.95Å; L39-A41 VanDerWaalsContact C-N 3.28Å; L39-A41 PolarHBondContact O-N 2.77Å; A41-F43 PolarHBondContact O-N 3.32Å; A41-S44 PolarHBondContact O-N 3.47Å; A41-S44 PolarHBondContact O-OG 2.71Å; A41-S44 VanDerWaalsContact O-OG 3.11Å
42S92.8Very high92.9Very high10 Ų1066.4 Ų66.47%0.0735%0.352CS..G310 helixtrans-70.7-6.4178.8-40.10000113.9L39 G40 S44 R45 N319 L320L39-S42 WeakPolarHBondContact O-CB 3.27Å; L39-S42 PolarHBondContact O-N 3.19Å; L39-S42 VanDerWaalsContact O-N 3.11Å; L39-S42 PolarHBondContact O-OG 3.46Å; G40-S42 PolarHBondContact O-N 2.96Å; G40-S42 VanDerWaalsContact O-N 3.12Å; S42-S44 PolarHBondContact O-N 2.81Å; S42-S44 VanDerWaalsContact O-N 3.09Å; S42-R45 PolarHBondContact O-N 2.92Å; S42-N319 WeakPolarHBondContact O-CB 3.36Å; S42-L320 WeakPolarHBondContact OG-CD1 3.32Å; S42-L320 WeakPolarHBondContact OG-CD2 3.37Å; S42-L320 VanDerWaalsContact OG-CG 3.25Å; S42-L320 WeakPolarHBondContact OG-CG 3.2Å
43F89.8Confident92.4Very high91 Ų9167.8 Ų67.840%0.39936%0.358SS..G310 helixtrans-60.8-13.7171.2-86-102000113.2G40 A41 R45 Y46 L312 A315G40-F43 WeakPolarHBondContact O-CD2 3.1Å; G40-F43 PolarHBondContact O-N 3.48Å; A41-F43 PolarHBondContact O-N 3.32Å; F43-R45 PolarHBondContact O-N 2.94Å; F43-Y46 HydrophobicContact CD1-CD2 4.46Å; F43-Y46 WeakPolarHBondContact O-CB 3.34Å; F43-Y46 PolarHBondContact O-N 3.01Å; F43-L312 HydrophobicContact CD2-CD1 4.34Å; F43-L312 HydrophobicContact CE2-CD1 3.59Å; F43-L312 HydrophobicContact CZ-CD1 4.19Å; F43-A315 HydrophobicContact CE2-CB 3.95Å; F43-A315 HydrophobicContact CZ-CB 3.7Å
44S89.9Confident92Very high108 Ų10868.9 Ų68.976%0.75536%0.36SS*.G310 helixtrans-57.7-24164.753.90000114A41 S42A41-S44 PolarHBondContact O-N 3.47Å; A41-S44 PolarHBondContact O-OG 2.71Å; A41-S44 VanDerWaalsContact O-OG 3.11Å; S42-S44 PolarHBondContact O-N 2.81Å; S42-S44 VanDerWaalsContact O-N 3.09Å
45R91.7Very high91.7Very high150 Ų15064 Ų6457%0.56633%0.334SS*.G310 helixtrans-98.714175.1-60.3-175.1178.4-173.9-0.6113.2S42 F43 Q47S42-R45 PolarHBondContact O-N 2.92Å; F43-R45 PolarHBondContact O-N 2.94Å; R45-Q47 PolarHBondContact O-N 3.44Å
46Y91.7Very high91.2Very high101 Ų10160.9 Ų60.940%0.39632%0.318SS..  trans-57.6123.9178.8176-96.6000110.7F43 V48 Y325F43-Y46 HydrophobicContact CD1-CD2 4.46Å; F43-Y46 WeakPolarHBondContact O-CB 3.34Å; F43-Y46 PolarHBondContact O-N 3.01Å; Y46-V48 HydrophobicContact CD1-CG2 4.46Å; Y46-V48 HydrophobicContact CE1-CG2 3.54Å; Y46-Y325 VanDerWaalsContact CE2-CB 3.41Å; Y46-Y325 HydrophobicContact CE2-CD1 4.44Å; Y46-Y325 HydrophobicContact CE2-CD2 4.17Å; Y46-Y325 AromaticContact CE2-CG 3.75Å; Y46-Y325 HydrophobicContact CE2-CG 3.75Å; Y46-Y325 AromaticContact CZ-CG 3.84Å; Y46-Y325 WeakPolarHBondContact OH-CD1 3.36Å
47Q92.8Very high90.7Very high102 Ų10260.9 Ų60.948%0.47732%0.318SS..  trans-127.9151.2176.7-70.6-175.9-0.100109.6R45 K324 Y325R45-Q47 PolarHBondContact O-N 3.44Å; Q47-K324 HydrophobicContact CB-CG 3.94Å; Q47-K324 CarbonylContact O-C 3.59Å; Q47-K324 WeakPolarHBondContact O-CA 3.34Å; Q47-Y325 WeakPolarHBondContact O-CB 3.28Å; Q47-Y325 PolarHBondContact O-N 3.3Å
48V91.7Very high90.4Very high54 Ų5455.9 Ų55.933%0.32729%0.293SS..BIsolated β-bridgetrans-110.4136.5178.3-178.80000108.4Y46 E50 Q262Y46-V48 HydrophobicContact CD1-CG2 4.46Å; Y46-V48 HydrophobicContact CE1-CG2 3.54Å; V48-E50 PolarHBondContact O-N 3.17Å; V48-Q262 HydrophobicContact CG1-CG 4.06Å
49E91.5Very high89.9Confident24 Ų2452.3 Ų52.311%0.11227%0.272CS..  trans-71.9126.6174.3-176.152-98.600109.8S51 H54 L55 Q262 K324 Y325E49-S51 PolarHBondContact OE1-N 2.86Å; E49-H54 IonicContact OE2-CD2 3.73Å; E49-L55 HydrophobicContact CB-CD1 4.06Å; E49-L55 HydrophobicContact CB-CD2 4.38Å; E49-L55 HydrophobicContact CB-CG 4.4Å; E49-L55 HydrophobicContact CG-CD1 3.78Å; E49-L55 HydrophobicContact CG-CD2 3.87Å; E49-L55 HydrophobicContact CG-CG 3.67Å; E49-Q262 PolarHBondContact O-NE2 3.34Å; E49-K324 HydrophobicContact CB-CB 3.98Å; E49-K324 HydrophobicContact CB-CD 4.23Å; E49-K324 IonicContact OE1-NZ 3.52Å; E49-K324 PolarHBondContact OE1-NZ 3.48Å; E49-K324 WeakPolarHBondContact OE2-CD 3.47Å; E49-K324 IonicContact OE2-NZ 2.72Å; E49-K324 PolarHBondContact OE2-NZ 2.83Å; E49-Y325 PolarHBondContact N-O 3.38Å
50E83.6Confident89.4Confident124 Ų12457.9 Ų57.958%0.57930%0.297SS*.  trans-91.8-29.4-175.1-62.2-172.1170.300111.5V48 V52 R258V48-E50 PolarHBondContact O-N 3.17Å; E50-V52 PolarHBondContact O-N 3.1Å; E50-R258 WeakPolarHBondContact O-CD 3.21Å; E50-R258 WeakPolarHBondContact O-CG 3.27Å; E50-R258 IonicContact OE1-NH1 2.87Å; E50-R258 IonicContact OE2-NH1 3.79Å
51S87.4Confident89.1Confident48 Ų4857.6 Ų57.634%0.33629%0.293SS..  trans-93.4103.5-175.8-177.10000111.9E49 E53 H54 L55E49-S51 PolarHBondContact OE1-N 2.86Å; S51-E53 PolarHBondContact O-N 2.94Å; S51-H54 PolarHBondContact O-N 3.11Å; S51-H54 WeakPolarHBondContact OG-CB 3.44Å; S51-H54 PolarHBondContact OG-N 3.48Å; S51-L55 PolarHBondContact O-N 2.99Å
52V88.1Confident88.8Confident10 Ų1058.3 Ų58.36%0.06129%0.287CS..Hα-helixtrans-64.1-33.4171.1-177.20000110.9E50 H54 L55 L56 L257 R258 F261 I531E50-V52 PolarHBondContact O-N 3.1Å; V52-H54 VanDerWaalsContact C-N 3.35Å; V52-H54 PolarHBondContact O-N 3.38Å; V52-L55 PolarHBondContact O-N 2.9Å; V52-L56 HydrophobicContact CG1-CD1 3.74Å; V52-L56 HydrophobicContact CG1-CG 4.39Å; V52-L56 PolarHBondContact O-N 2.86Å; V52-L257 HydrophobicContact CB-CD2 4.16Å; V52-L257 HydrophobicContact CB-CG 4.44Å; V52-L257 HydrophobicContact CG1-CD2 3.92Å; V52-L257 HydrophobicContact CG1-CG 4.24Å; V52-L257 HydrophobicContact CG2-CG 4.3Å; V52-R258 HydrophobicContact CG2-CB 4.21Å; V52-F261 HydrophobicContact CG2-CB 4.43Å; V52-F261 HydrophobicContact CG2-CD1 4.38Å; V52-I531 HydrophobicContact CG1-CD1 4.23Å
53E87.3Confident88.4Confident32 Ų3257.9 Ų57.915%0.1528%0.284CS..Hα-helixtrans-61.2-43.4173.7-169.6-167.3126.400111.4S51 L55 A57 K64 R67 V687 Y688S51-E53 PolarHBondContact O-N 2.94Å; E53-L55 VanDerWaalsContact C-N 3.27Å; E53-L55 PolarHBondContact O-N 3.45Å; E53-A57 HydrophobicContact CG-CB 3.83Å; E53-A57 WeakPolarHBondContact O-CA 3.49Å; E53-A57 WeakPolarHBondContact O-CB 3.29Å; E53-A57 PolarHBondContact O-N 3.36Å; E53-K64 WeakPolarHBondContact OE1-CE 3.49Å; E53-R67 IonicContact OE1-CZ 3.38Å; E53-R67 VanDerWaalsContact OE1-CZ 3.24Å; E53-R67 IonicContact OE1-NH1 3.55Å; E53-R67 PolarHBondContact OE1-NH1 2.86Å; E53-R67 IonicContact OE1-NH2 3.56Å; E53-R67 PolarHBondContact OE1-NH2 2.85Å; E53-R67 IonicContact OE2-CZ 3.38Å; E53-R67 IonicContact OE2-NH1 2.77Å; E53-R67 PolarHBondContact OE2-NH1 2.99Å; E53-V687 HydrophobicContact CG-CG1 3.91Å; E53-Y688 VanDerWaalsContact CA-OH 3.27Å; E53-Y688 WeakPolarHBondContact CA-OH 3.46Å; E53-Y688 VanDerWaalsContact CB-OH 3.28Å; E53-Y688 WeakPolarHBondContact CB-OH 3.39Å; E53-Y688 PolarHBondContact N-OH 3Å
54H89.9Confident88.3Confident71 Ų7154.7 Ų54.733%0.32927%0.27SS..Hα-helixtrans-62-38.3179.2178.657.5000111.9E49 S51 V52 E397E49-H54 IonicContact OE2-CD2 3.73Å; S51-H54 PolarHBondContact O-N 3.11Å; S51-H54 WeakPolarHBondContact OG-CB 3.44Å; S51-H54 PolarHBondContact OG-N 3.48Å; V52-H54 VanDerWaalsContact C-N 3.35Å; V52-H54 PolarHBondContact O-N 3.38Å; H54-E397 VanDerWaalsContact O-CB 3.25Å; H54-E397 WeakPolarHBondContact O-CB 3.36Å
55L90Very high88.3Confident1 Ų154.7 Ų54.71%0.00526%0.26CS..Hα-helixtrans-72.8-45.6-178.3-71.5175.2000113E49 S51 V52 E53 F261 N326 I396 E397 A398 I401E49-L55 HydrophobicContact CB-CD1 4.06Å; E49-L55 HydrophobicContact CB-CD2 4.38Å; E49-L55 HydrophobicContact CB-CG 4.4Å; E49-L55 HydrophobicContact CG-CD1 3.78Å; E49-L55 HydrophobicContact CG-CD2 3.87Å; E49-L55 HydrophobicContact CG-CG 3.67Å; S51-L55 PolarHBondContact O-N 2.99Å; V52-L55 PolarHBondContact O-N 2.9Å; E53-L55 VanDerWaalsContact C-N 3.27Å; E53-L55 PolarHBondContact O-N 3.45Å; L55-F261 HydrophobicContact CD1-CE1 4.01Å; L55-N326 HydrophobicContact CD1-CB 3.68Å; L55-N326 HydrophobicContact CD2-CB 4.29Å; L55-I396 WeakPolarHBondContact O-CG2 3.19Å; L55-E397 PolarHBondContact O-N 2.93Å; L55-A398 HydrophobicContact CB-CB 4.23Å; L55-A398 HydrophobicContact CD2-CB 4.49Å; L55-A398 VanDerWaalsContact O-CB 3.25Å; L55-A398 WeakPolarHBondContact O-CB 3.28Å; L55-A398 PolarHBondContact O-N 3.49Å; L55-I401 HydrophobicContact CD2-CD1 3.61Å
56L87.3Confident88.1Confident3 Ų348.1 Ų48.12%0.01624%0.236CC..Hα-helixtrans-113.3-23.8-163.5-60.2179.1000114.3V52 A398 L528 I531 Y692 C751V52-L56 HydrophobicContact CG1-CD1 3.74Å; V52-L56 HydrophobicContact CG1-CG 4.39Å; V52-L56 PolarHBondContact O-N 2.86Å; L56-A398 HydrophobicContact CD2-CB 3.89Å; L56-L528 HydrophobicContact CD1-CD2 4.06Å; L56-I531 HydrophobicContact CD1-CD1 3.11Å; L56-I531 HydrophobicContact CD1-CG1 4.38Å; L56-I531 HydrophobicContact CD1-CG2 4.45Å; L56-Y692 WeakPolarHBondContact O-CE2 3.42Å; L56-C751 HydrophobicContact CD2-CB 4.26Å
57A86.9Confident87.9Confident0 Ų045 Ų450%022%0.223CC..SBendtrans-82.5141.9173.100000110.2E53 Q59 K64 V687 Y688E53-A57 HydrophobicContact CG-CB 3.83Å; E53-A57 WeakPolarHBondContact O-CA 3.49Å; E53-A57 WeakPolarHBondContact O-CB 3.29Å; E53-A57 PolarHBondContact O-N 3.36Å; A57-Q59 PolarHBondContact O-N 3.18Å; A57-K64 PolarHBondContact O-NZ 3.32Å; A57-V687 HydrophobicContact CB-CG1 3.68Å; A57-Y688 HydrophobicContact CB-CD1 3.97Å; A57-Y688 HydrophobicContact CB-CE1 4Å
58P89.3Confident87.6Confident1 Ų145 Ų451%0.00623%0.226CC..  trans-52.9131177.8-23.131.6000111.3K64 N395P58-K64 WeakPolarHBondContact O-CD 3.26Å; P58-K64 VanDerWaalsContact O-CE 3.28Å; P58-K64 WeakPolarHBondContact O-CE 3.4Å; P58-K64 PolarHBondContact O-NZ 2.95Å; P58-N395 CarbonylContact C-O 3.59Å; P58-N395 WeakPolarHBondContact CA-O 3.5Å; P58-N395 WeakPolarHBondContact CB-ND2 3.17Å
59Q86.4Confident87.4Confident50 Ų5045.5 Ų45.523%0.23423%0.227CC..SBendtrans-62.9-46.2-176.8-69.3-168.4-28.500111.9A57 K64 N395 E397A57-Q59 PolarHBondContact O-N 3.18Å; Q59-K64 WeakPolarHBondContact O-CD 3.43Å; Q59-N395 PolarHBondContact N-O 3.4Å; Q59-N395 PolarHBondContact N-OD1 2.93Å; Q59-E397 PolarHBondContact NE2-OE2 2.79Å
60H85.2Confident87.2Confident151 Ų15144.4 Ų44.470%0.69922%0.222SC*.SBendtrans-104.597.7175.3-55.5-63.9000108.5N395H60-N395 PolarHBondContact N-OD1 2.91Å; H60-N395 PolarHBondContact O-ND2 3.43Å
61S85Confident87.1Confident10 Ų1040.2 Ų40.27%0.0720%0.204CC..  trans-131.9151.8171.965.60000110.5A63 K64 I65S61-A63 PolarHBondContact O-N 3.41Å; S61-K64 PolarHBondContact O-N 3.42Å; S61-K64 WeakPolarHBondContact OG-CG 3.34Å; S61-K64 PolarHBondContact OG-N 3.36Å; S61-I65 PolarHBondContact O-N 3.1Å
62L85.8Confident87Confident84 Ų8442 Ų4244%0.4422%0.216SC..Hα-helixtrans-62.3-37.6176.1-179.962.6000109.8K64 I65 E66 D690L62-K64 VanDerWaalsContact C-N 3.31Å; L62-K64 PolarHBondContact O-N 3.44Å; L62-I65 CarbonylContact O-C 3.22Å; L62-I65 WeakPolarHBondContact O-CA 3.22Å; L62-I65 WeakPolarHBondContact O-CB 3.4Å; L62-I65 PolarHBondContact O-N 3.5Å; L62-E66 HydrophobicContact CD1-CG 4.35Å; L62-E66 HydrophobicContact CG-CG 4.16Å; L62-E66 WeakPolarHBondContact O-CB 3.3Å; L62-E66 WeakPolarHBondContact O-CG 2.96Å; L62-E66 PolarHBondContact O-N 2.66Å; L62-D690 WeakPolarHBondContact CA-OD2 3.17Å; L62-D690 WeakPolarHBondContact CB-OD2 3.22Å; L62-D690 PolarHBondContact N-OD2 2.96Å
63A86Confident86.7Confident0 Ų043.7 Ų43.70%022%0.224CC..Hα-helixtrans-57.3-39175.300000113S61 E66 R67 F682 F686 V687 D690S61-A63 PolarHBondContact O-N 3.41Å; A63-E66 WeakPolarHBondContact CA-OE2 2.83Å; A63-R67 VanDerWaalsContact O-CB 3.31Å; A63-R67 WeakPolarHBondContact O-CB 3.4Å; A63-R67 PolarHBondContact O-N 2.91Å; A63-F682 HydrophobicContact CB-CE2 4.47Å; A63-F682 WeakPolarHBondContact O-CE2 3.38Å; A63-F686 HydrophobicContact CB-CB 4.14Å; A63-V687 HydrophobicContact CB-CG2 4.14Å; A63-D690 HydrophobicContact CB-CB 3.85Å; A63-D690 PolarHBondContact N-OD2 3.49Å
64K87.7Confident86.5Confident24 Ų2442.4 Ų42.410%0.10422%0.218CC..Hα-helixtrans-69.3-34.2175.6-77.7177.9176171.70112.3E53 A57 P58 Q59 S61 L62 N68 V687E53-K64 WeakPolarHBondContact OE1-CE 3.49Å; A57-K64 PolarHBondContact O-NZ 3.32Å; P58-K64 WeakPolarHBondContact O-CD 3.26Å; P58-K64 VanDerWaalsContact O-CE 3.28Å; P58-K64 WeakPolarHBondContact O-CE 3.4Å; P58-K64 PolarHBondContact O-NZ 2.95Å; Q59-K64 WeakPolarHBondContact O-CD 3.43Å; S61-K64 PolarHBondContact O-N 3.42Å; S61-K64 WeakPolarHBondContact OG-CG 3.34Å; S61-K64 PolarHBondContact OG-N 3.36Å; L62-K64 VanDerWaalsContact C-N 3.31Å; L62-K64 PolarHBondContact O-N 3.44Å; K64-N68 VanDerWaalsContact O-CG 3.26Å; K64-N68 PolarHBondContact O-N 2.95Å; K64-N68 VanDerWaalsContact O-N 3.11Å; K64-N68 PolarHBondContact O-ND2 3.05Å; K64-V687 HydrophobicContact CD-CG1 4.44Å; K64-V687 HydrophobicContact CG-CG1 4Å; K64-V687 HydrophobicContact CG-CG2 4.39Å
65I89.1Confident85.7Confident109 Ų10941 Ų4156%0.55922%0.216SC*.Hα-helixtrans-69.6-47.6175-60.8170.1000110.3S61 L62 R67 N68 L69S61-I65 PolarHBondContact O-N 3.1Å; L62-I65 CarbonylContact O-C 3.22Å; L62-I65 WeakPolarHBondContact O-CA 3.22Å; L62-I65 WeakPolarHBondContact O-CB 3.4Å; L62-I65 PolarHBondContact O-N 3.5Å; I65-R67 VanDerWaalsContact C-N 3.3Å; I65-R67 PolarHBondContact O-N 2.73Å; I65-N68 PolarHBondContact O-N 2.65Å; I65-N68 VanDerWaalsContact O-N 3.12Å; I65-L69 PolarHBondContact O-N 3.43Å
66E87.9Confident84.5Confident12 Ų1242.4 Ų42.46%0.05622%0.224CC..Hα-helixtrans-55.8-45.4174.2-72167.5157.300110.3L62 A63 N68 L69 V70 R669 F682L62-E66 HydrophobicContact CD1-CG 4.35Å; L62-E66 HydrophobicContact CG-CG 4.16Å; L62-E66 WeakPolarHBondContact O-CB 3.3Å; L62-E66 WeakPolarHBondContact O-CG 2.96Å; L62-E66 PolarHBondContact O-N 2.66Å; A63-E66 WeakPolarHBondContact CA-OE2 2.83Å; E66-N68 PolarHBondContact O-N 2.85Å; E66-L69 PolarHBondContact O-N 3.09Å; E66-V70 VanDerWaalsContact O-CB 3.22Å; E66-V70 WeakPolarHBondContact O-CB 3.46Å; E66-V70 WeakPolarHBondContact O-CG2 3.3Å; E66-V70 PolarHBondContact O-N 3.36Å; E66-R669 IonicContact OE1-CZ 3.29Å; E66-R669 IonicContact OE1-NE 3.55Å; E66-R669 PolarHBondContact OE1-NE 2.97Å; E66-R669 IonicContact OE1-NH2 3.32Å; E66-R669 IonicContact OE2-CZ 2.65Å; E66-R669 IonicContact OE2-NE 2.82Å; E66-R669 IonicContact OE2-NH2 3.31Å; E66-R669 PolarHBondContact OE2-NH2 2.88Å; E66-F682 HydrophobicContact CB-CD2 3.88Å
67R86.9Confident83.1Confident35 Ų3547.5 Ų47.513%0.13225%0.251CS..Hα-helixtrans-56-47.8174-173.1172.366.1-175.4-4.2112.5E53 A63 I65 V70 N71 Q88 F682E53-R67 IonicContact OE1-CZ 3.38Å; E53-R67 VanDerWaalsContact OE1-CZ 3.24Å; E53-R67 IonicContact OE1-NH1 3.55Å; E53-R67 PolarHBondContact OE1-NH1 2.86Å; E53-R67 IonicContact OE1-NH2 3.56Å; E53-R67 PolarHBondContact OE1-NH2 2.85Å; E53-R67 IonicContact OE2-CZ 3.38Å; E53-R67 IonicContact OE2-NH1 2.77Å; E53-R67 PolarHBondContact OE2-NH1 2.99Å; A63-R67 VanDerWaalsContact O-CB 3.31Å; A63-R67 WeakPolarHBondContact O-CB 3.4Å; A63-R67 PolarHBondContact O-N 2.91Å; I65-R67 VanDerWaalsContact C-N 3.3Å; I65-R67 PolarHBondContact O-N 2.73Å; R67-V70 PolarHBondContact O-N 3.44Å; R67-N71 VanDerWaalsContact O-CB 3.29Å; R67-N71 WeakPolarHBondContact O-CB 3.37Å; R67-N71 VanDerWaalsContact O-CG 3.24Å; R67-N71 PolarHBondContact O-N 2.95Å; R67-N71 PolarHBondContact O-ND2 3.48Å; R67-Q88 VanDerWaalsContact CD-O 3.25Å; R67-Q88 WeakPolarHBondContact CD-O 3.42Å; R67-Q88 WeakPolarHBondContact CG-O 3.36Å; R67-F682 HydrophobicContact CB-CD2 4.43Å; R67-F682 HydrophobicContact CB-CE1 4.01Å; R67-F682 HydrophobicContact CB-CE2 3.65Å; R67-F682 HydrophobicContact CB-CZ 3.4Å; R67-F682 VanDerWaalsContact CB-CZ 3.4Å; R67-F682 HydrophobicContact CG-CE1 3.94Å; R67-F682 HydrophobicContact CG-CE2 4.37Å; R67-F682 HydrophobicContact CG-CZ 3.62Å
68N87.6Confident81.3Confident101 Ų10157.2 Ų57.254%0.5429%0.288SS..Hα-helixtrans-65.1-41.1-178.9-71.2-16.8000111.4K64 I65 E66 S72K64-N68 VanDerWaalsContact O-CG 3.26Å; K64-N68 PolarHBondContact O-N 2.95Å; K64-N68 VanDerWaalsContact O-N 3.11Å; K64-N68 PolarHBondContact O-ND2 3.05Å; I65-N68 PolarHBondContact O-N 2.65Å; I65-N68 VanDerWaalsContact O-N 3.12Å; E66-N68 PolarHBondContact O-N 2.85Å; N68-S72 WeakPolarHBondContact O-CB 3.25Å; N68-S72 PolarHBondContact O-N 3.42Å
69L87.1Confident79.3Confident66 Ų6658 Ų5835%0.34629%0.293SS..Hα-helixtrans-63.7-47.4175.3-179.559000111.1I65 E66 N71 S72 L73 I680I65-L69 PolarHBondContact O-N 3.43Å; E66-L69 PolarHBondContact O-N 3.09Å; L69-N71 PolarHBondContact O-N 3.24Å; L69-S72 WeakPolarHBondContact O-CB 3.47Å; L69-S72 PolarHBondContact O-N 3.25Å; L69-S72 VanDerWaalsContact O-N 3.09Å; L69-S72 PolarHBondContact O-OG 2.82Å; L69-L73 HydrophobicContact CD1-CD1 4.24Å; L69-L73 HydrophobicContact CD1-CG 4.46Å; L69-L73 HydrophobicContact CG-CD1 4.23Å; L69-L73 WeakPolarHBondContact O-CG 3.33Å; L69-L73 PolarHBondContact O-N 3.28Å; L69-I680 HydrophobicContact CB-CD1 4.46Å; L69-I680 HydrophobicContact CD2-CD1 3.72Å; L69-I680 HydrophobicContact CD2-CG2 4.48Å; L69-I680 HydrophobicContact CG-CD1 4Å
70V86.1Confident77.5Confident0 Ų058.9 Ų58.90%030%0.296CS..Hα-helixtrans-59.7-46.2176.9163.40000111.4E66 R67 S72 L73 F74 Q88 Y559 I680 F682E66-V70 VanDerWaalsContact O-CB 3.22Å; E66-V70 WeakPolarHBondContact O-CB 3.46Å; E66-V70 WeakPolarHBondContact O-CG2 3.3Å; E66-V70 PolarHBondContact O-N 3.36Å; R67-V70 PolarHBondContact O-N 3.44Å; V70-S72 VanDerWaalsContact C-N 3.26Å; V70-S72 PolarHBondContact O-N 3.15Å; V70-L73 PolarHBondContact O-N 3Å; V70-F74 PolarHBondContact O-N 3.39Å; V70-Q88 HydrophobicContact CG1-CB 4Å; V70-Q88 HydrophobicContact CG1-CG 3.36Å; V70-Q88 VanDerWaalsContact CG1-NE2 3.3Å; V70-Y559 HydrophobicContact CG1-CD1 4.39Å; V70-Y559 HydrophobicContact CG1-CE1 3.67Å; V70-Y559 HydrophobicContact CG1-CE2 3.98Å; V70-Y559 VanDerWaalsContact CG1-CZ 3.44Å; V70-Y559 WeakPolarHBondContact CG1-OH 3.35Å; V70-Y559 HydrophobicContact CG2-CD1 4.26Å; V70-Y559 HydrophobicContact CG2-CD2 3.67Å; V70-Y559 HydrophobicContact CG2-CE1 4.22Å; V70-Y559 HydrophobicContact CG2-CE2 3.63Å; V70-Y559 HydrophobicContact CG2-CG 4Å; V70-I680 HydrophobicContact CG2-CD1 3.51Å; V70-I680 HydrophobicContact CG2-CG1 4.27Å; V70-F682 HydrophobicContact CG1-CD1 4.29Å; V70-F682 HydrophobicContact CG2-CB 4.02Å; V70-F682 HydrophobicContact CG2-CG 4.38Å
71N81.9Confident75.8Confident37 Ų3752.8 Ų52.820%0.19827%0.268CS..Hα-helixtrans-62-31.5174.7-78.1-24.6000112.6R67 L69 P75 Q88 T89R67-N71 VanDerWaalsContact O-CB 3.29Å; R67-N71 WeakPolarHBondContact O-CB 3.37Å; R67-N71 VanDerWaalsContact O-CG 3.24Å; R67-N71 PolarHBondContact O-N 2.95Å; R67-N71 PolarHBondContact O-ND2 3.48Å; L69-N71 PolarHBondContact O-N 3.24Å; N71-P75 WeakPolarHBondContact O-CA 3.09Å; N71-P75 VanDerWaalsContact O-CB 3.31Å; N71-P75 WeakPolarHBondContact O-CB 3.43Å; N71-Q88 VanDerWaalsContact OD1-CB 3.28Å; N71-Q88 WeakPolarHBondContact OD1-CB 3.31Å; N71-Q88 PolarHBondContact OD1-OE1 3.35Å; N71-T89 WeakPolarHBondContact ND2-CG2 3.47Å
72S85Confident74.2Confident84 Ų8454.6 Ų54.659%0.58727%0.274SS*.Hα-helixtrans-74.8-37.5178.477.60000112.7N68 L69 V70N68-S72 WeakPolarHBondContact O-CB 3.25Å; N68-S72 PolarHBondContact O-N 3.42Å; L69-S72 WeakPolarHBondContact O-CB 3.47Å; L69-S72 PolarHBondContact O-N 3.25Å; L69-S72 VanDerWaalsContact O-N 3.09Å; L69-S72 PolarHBondContact O-OG 2.82Å; V70-S72 VanDerWaalsContact C-N 3.26Å; V70-S72 PolarHBondContact O-N 3.15Å
73L82.9Confident72.3Confident46 Ų4651.8 Ų51.824%0.24126%0.259CS..Hα-helixtrans-77.5-46.8178.4-68170.5000110.9L69 V70 P75 I631 A644L69-L73 HydrophobicContact CD1-CD1 4.24Å; L69-L73 HydrophobicContact CD1-CG 4.46Å; L69-L73 HydrophobicContact CG-CD1 4.23Å; L69-L73 WeakPolarHBondContact O-CG 3.33Å; L69-L73 PolarHBondContact O-N 3.28Å; V70-L73 PolarHBondContact O-N 3Å; L73-P75 WeakPolarHBondContact O-CD 3.04Å; L73-I631 WeakPolarHBondContact O-CD1 3.24Å; L73-A644 HydrophobicContact CD2-CB 4.5Å
74F81.7Confident70.5Confident5 Ų552.9 Ų52.92%0.02226%0.263CS..SBendtrans-128.666.9-172.9-63.1-82.6000111.5V70 V76 S79 Q88 Y559 I631 A644 R646V70-F74 PolarHBondContact O-N 3.39Å; F74-V76 PolarHBondContact O-N 3.48Å; F74-S79 PolarHBondContact O-OG 2.91Å; F74-Q88 VanDerWaalsContact O-CD 3.3Å; F74-Q88 PolarHBondContact O-NE2 3.19Å; F74-Q88 PolarHBondContact O-OE1 2.72Å; F74-Y559 AromaticContact CD2-CD1 3.61Å; F74-Y559 HydrophobicContact CD2-CD1 3.61Å; F74-Y559 AromaticContact CD2-CE1 3.95Å; F74-Y559 HydrophobicContact CD2-CE1 3.95Å; F74-Y559 AromaticContact CE2-CD1 3.79Å; F74-Y559 HydrophobicContact CE2-CD1 3.79Å; F74-I631 HydrophobicContact CD1-CD1 4.34Å; F74-I631 HydrophobicContact CD1-CG1 4.49Å; F74-I631 HydrophobicContact CE1-CD1 3.93Å; F74-I631 HydrophobicContact CE1-CG1 3.78Å; F74-I631 HydrophobicContact CE2-CD1 4.41Å; F74-I631 HydrophobicContact CZ-CD1 3.95Å; F74-I631 HydrophobicContact CZ-CG1 4.01Å; F74-A644 HydrophobicContact CZ-CB 4.39Å; F74-R646 HydrophobicContact CD1-CG 4.19Å; F74-R646 HydrophobicContact CD2-CB 4.48Å; F74-R646 HydrophobicContact CE1-CB 4.38Å; F74-R646 HydrophobicContact CE1-CG 3.89Å; F74-R646 HydrophobicContact CE2-CB 4.02Å; F74-R646 HydrophobicContact CE2-CG 4.36Å; F74-R646 HydrophobicContact CZ-CB 3.97Å; F74-R646 HydrophobicContact CZ-CG 3.99Å
75P73.7Confident68.5Low42 Ų4252.8 Ų52.827%0.27327%0.266SS..  trans-62.3131.7-174.321.2-30.1000111.9N71 L73 N77 R78 S79N71-P75 WeakPolarHBondContact O-CA 3.09Å; N71-P75 VanDerWaalsContact O-CB 3.31Å; N71-P75 WeakPolarHBondContact O-CB 3.43Å; L73-P75 WeakPolarHBondContact O-CD 3.04Å; P75-N77 PolarHBondContact O-N 2.94Å; P75-N77 VanDerWaalsContact O-N 3.16Å; P75-R78 HydrophobicContact CG-CB 4.04Å; P75-R78 HydrophobicContact CG-CG 4.07Å; P75-R78 PolarHBondContact O-N 3.39Å; P75-S79 WeakPolarHBondContact O-CB 3.48Å; P75-S79 PolarHBondContact O-N 3.34Å; P75-S79 PolarHBondContact O-OG 2.89Å
76V64.4Low66.5Low31 Ų3148.5 Ų48.519%0.18824%0.244CC..THydrogen-bonded Turntrans-54.2-37.6-178.8-177.70000112.4F74 R78 S79 L87 Q88F74-V76 PolarHBondContact O-N 3.48Å; V76-R78 VanDerWaalsContact C-N 3.29Å; V76-R78 PolarHBondContact O-N 2.86Å; V76-S79 PolarHBondContact O-N 2.96Å; V76-S79 VanDerWaalsContact O-O 3.1Å; V76-L87 HydrophobicContact CG1-CD2 4.41Å; V76-Q88 HydrophobicContact CG2-CB 4.25Å
77N58.5Low64.6Low109 Ų10948.8 Ų48.858%0.58325%0.246SC*.THydrogen-bonded Turntrans-69-22.4179.2-77.2-17.7000114.3P75P75-N77 PolarHBondContact O-N 2.94Å; P75-N77 VanDerWaalsContact O-N 3.16Å
78R48.5Very low62.8Low204 Ų20447.3 Ų47.377%0.7724%0.24SC*.THydrogen-bonded Turntrans-98.6-27173-63.6-173172.5179.7-1.5112.6P75 V76 K80P75-R78 HydrophobicContact CG-CB 4.04Å; P75-R78 HydrophobicContact CG-CG 4.07Å; P75-R78 PolarHBondContact O-N 3.39Å; V76-R78 VanDerWaalsContact C-N 3.29Å; V76-R78 PolarHBondContact O-N 2.86Å; R78-K80 PolarHBondContact O-N 2.68Å
79S47.8Very low61Low17 Ų1744.6 Ų44.612%0.11923%0.227CC..  trans-82.489.8-179.4-44.60000108.4F74 P75 V76 H81 E628F74-S79 PolarHBondContact O-OG 2.91Å; P75-S79 WeakPolarHBondContact O-CB 3.48Å; P75-S79 PolarHBondContact O-N 3.34Å; P75-S79 PolarHBondContact O-OG 2.89Å; V76-S79 PolarHBondContact O-N 2.96Å; V76-S79 VanDerWaalsContact O-O 3.1Å; S79-H81 PolarHBondContact O-N 3.07Å; S79-E628 WeakPolarHBondContact CA-OE2 3.32Å
80K49.7Very low59.5Low69 Ų6943.9 Ų43.930%0.323%0.227SC..  trans-80.745.2-174.3-67.8167.6170.4-177.30111.3R78 L142 N143 N144 I149 E628R78-K80 PolarHBondContact O-N 2.68Å; K80-L142 WeakPolarHBondContact CG-O 3.34Å; K80-N143 PolarHBondContact O-OD1 2.72Å; K80-N144 HydrophobicContact CD-CB 4.42Å; K80-N144 WeakPolarHBondContact CD-OD1 3.37Å; K80-N144 PolarHBondContact NZ-OD1 2.94Å; K80-I149 VanDerWaalsContact C-CD1 3.43Å; K80-I149 VanDerWaalsContact O-CD1 3.25Å; K80-I149 WeakPolarHBondContact O-CD1 3.31Å; K80-E628 PolarHBondContact N-OE2 2.88Å
81H48.3Very low58.9Low23 Ų2345.6 Ų45.611%0.10625%0.245CC..  trans-96.4142.7-172.5-92.343.4000115S79 L83 D86 H625 E628 D629S79-H81 PolarHBondContact O-N 3.07Å; H81-L83 VanDerWaalsContact C-N 3.33Å; H81-D86 WeakPolarHBondContact CB-OD2 3.31Å; H81-H625 PolarHBondContact CE1-O 3.18Å; H81-H625 PolarHBondContact NE2-O 3.48Å; H81-E628 VanDerWaalsContact CE1-CB 3.46Å; H81-E628 WeakPolarHBondContact CE1-CB 3.25Å; H81-E628 IonicContact CE1-OE2 3.31Å; H81-E628 IonicContact ND1-OE2 3.58Å; H81-E628 PolarHBondContact ND1-OE2 3.48Å; H81-D629 IonicContact NE2-OD1 2.65Å; H81-D629 IonicContact NE2-OD2 3.99Å
82R50.9Low59.1Low48 Ų4844.8 Ų44.818%0.18124%0.239CC..  trans-75.6-13.8173.5-80.9171.6-176-174.92.3113.7Y84 I149 D152R82-Y84 WeakPolarHBondContact O-CD2 3.41Å; R82-Y84 WeakPolarHBondContact O-CE1 3.44Å; R82-Y84 WeakPolarHBondContact O-CE2 3.4Å; R82-Y84 PolarHBondContact O-N 3.48Å; R82-Y84 PolarHBondContact O-OH 2.03Å; R82-I149 HydrophobicContact CB-CG2 4.24Å; R82-I149 HydrophobicContact CG-CB 4.36Å; R82-I149 HydrophobicContact CG-CG1 4.24Å; R82-I149 HydrophobicContact CG-CG2 3.75Å; R82-D152 IonicContact NH1-OD1 3.55Å
83L46.9Very low59.3Low25 Ų2542 Ų4213%0.13122%0.215CC..  trans-69.3114.9-171.7-88.9124.7000111.1H81 S85 D86 I585 F648H81-L83 VanDerWaalsContact C-N 3.33Å; L83-S85 PolarHBondContact O-N 3.15Å; L83-D86 VanDerWaalsContact CB-CG 3.48Å; L83-D86 VanDerWaalsContact CB-OD1 3.25Å; L83-D86 WeakPolarHBondContact CB-OD1 3.45Å; L83-D86 WeakPolarHBondContact CB-OD2 3.47Å; L83-D86 VanDerWaalsContact O-CB 3.23Å; L83-D86 WeakPolarHBondContact O-CB 3.32Å; L83-D86 PolarHBondContact O-N 3.28Å; L83-I585 HydrophobicContact CD2-CD1 3.52Å; L83-I585 HydrophobicContact CD2-CG2 3.94Å; L83-F648 HydrophobicContact CD2-CD2 4.48Å
84Y48.4Very low59.7Low23 Ų2339.8 Ų39.89%0.0920%0.204CC..THydrogen-bonded Turntrans-61.90.6-165.3-57.9-71.9000116.2R82 V150 D151 D152 Q191 Y214R82-Y84 WeakPolarHBondContact O-CD2 3.41Å; R82-Y84 WeakPolarHBondContact O-CE1 3.44Å; R82-Y84 WeakPolarHBondContact O-CE2 3.4Å; R82-Y84 PolarHBondContact O-N 3.48Å; R82-Y84 PolarHBondContact O-OH 2.03Å; Y84-V150 PolarHBondContact OH-O 3Å; Y84-D151 HydrophobicContact CD1-CB 4.17Å; Y84-D151 VanDerWaalsContact CD1-OD1 3.25Å; Y84-D151 WeakPolarHBondContact CD1-OD1 3.42Å; Y84-D151 HydrophobicContact CE1-CB 3.71Å; Y84-D151 WeakPolarHBondContact CE1-OD1 3.42Å; Y84-D151 WeakPolarHBondContact CE2-OD1 3.14Å; Y84-D151 VanDerWaalsContact CZ-CA 3.42Å; Y84-D151 VanDerWaalsContact OH-CA 3.31Å; Y84-D151 WeakPolarHBondContact OH-CA 3.46Å; Y84-D152 HydrophobicContact CE2-CB 4.1Å; Y84-D152 WeakPolarHBondContact CE2-OD2 3.4Å; Y84-D152 PolarHBondContact OH-N 2.86Å; Y84-D152 PolarHBondContact OH-OD2 2.94Å; Y84-Q191 VanDerWaalsContact CG-NE2 3.25Å; Y84-Y214 HydrophobicContact CD1-CE2 4.06Å; Y84-Y214 PolarHBondContact O-OH 3.12Å
85S45.8Very low60.2Low23 Ų2341.5 Ų41.516%0.16121%0.211CC..THydrogen-bonded Turntrans-117-8.8-17841.10000114.1L83 L87 V555L83-S85 PolarHBondContact O-N 3.15Å; S85-L87 PolarHBondContact O-N 2.76Å; S85-L87 VanDerWaalsContact O-N 3.13Å; S85-V555 WeakPolarHBondContact OG-CB 3.43Å; S85-V555 WeakPolarHBondContact OG-CG1 3.48Å
86D46.5Very low61.3Low19 Ų1939.5 Ų39.510%0.10220%0.198CC..  trans-76.6-0.9-166.2-69.210.1000113.7H81 L83 Q88 F648H81-D86 WeakPolarHBondContact CB-OD2 3.31Å; L83-D86 VanDerWaalsContact CB-CG 3.48Å; L83-D86 VanDerWaalsContact CB-OD1 3.25Å; L83-D86 WeakPolarHBondContact CB-OD1 3.45Å; L83-D86 WeakPolarHBondContact CB-OD2 3.47Å; L83-D86 VanDerWaalsContact O-CB 3.23Å; L83-D86 WeakPolarHBondContact O-CB 3.32Å; L83-D86 PolarHBondContact O-N 3.28Å; D86-Q88 PolarHBondContact O-N 2.84Å; D86-F648 VanDerWaalsContact CG-CZ 3.47Å; D86-F648 WeakPolarHBondContact OD1-CE1 3.44Å; D86-F648 WeakPolarHBondContact OD1-CZ 3.47Å
87L48.4Very low62.8Low18 Ų1838 Ų389%0.09419%0.189CC..  trans-66.381.7175.3-81.3-178.9000109.2V76 S85 T89 P90 Y93 Y214 P684V76-L87 HydrophobicContact CG1-CD2 4.41Å; S85-L87 PolarHBondContact O-N 2.76Å; S85-L87 VanDerWaalsContact O-N 3.13Å; L87-T89 CarbonylContact C-O 3.51Å; L87-T89 WeakPolarHBondContact CA-O 3.48Å; L87-T89 WeakPolarHBondContact CB-O 3.4Å; L87-T89 WeakPolarHBondContact CD2-O 3.44Å; L87-T89 CarbonylContact O-C 3.46Å; L87-T89 PolarHBondContact O-N 2.88Å; L87-T89 VanDerWaalsContact O-N 3.13Å; L87-P90 WeakPolarHBondContact CD1-O 3.43Å; L87-Y93 HydrophobicContact CD1-CD1 4.16Å; L87-Y214 HydrophobicContact CD1-CD1 3.51Å; L87-Y214 HydrophobicContact CD1-CE1 3.12Å; L87-Y214 HydrophobicContact CD2-CD1 4.26Å; L87-Y214 HydrophobicContact CG-CD1 4.03Å; L87-Y214 HydrophobicContact CG-CE1 3.78Å; L87-P684 WeakPolarHBondContact O-CG 3.39Å
88Q48.1Very low64.6Low4 Ų432.9 Ų32.92%0.01916%0.161CC..SBendtrans-54.7-28.5170.8-60.9165.3-0.500110.5R67 V70 N71 F74 V76 D86 F682R67-Q88 VanDerWaalsContact CD-O 3.25Å; R67-Q88 WeakPolarHBondContact CD-O 3.42Å; R67-Q88 WeakPolarHBondContact CG-O 3.36Å; V70-Q88 HydrophobicContact CG1-CB 4Å; V70-Q88 HydrophobicContact CG1-CG 3.36Å; V70-Q88 VanDerWaalsContact CG1-NE2 3.3Å; N71-Q88 VanDerWaalsContact OD1-CB 3.28Å; N71-Q88 WeakPolarHBondContact OD1-CB 3.31Å; N71-Q88 PolarHBondContact OD1-OE1 3.35Å; F74-Q88 VanDerWaalsContact O-CD 3.3Å; F74-Q88 PolarHBondContact O-NE2 3.19Å; F74-Q88 PolarHBondContact O-OE1 2.72Å; V76-Q88 HydrophobicContact CG2-CB 4.25Å; D86-Q88 PolarHBondContact O-N 2.84Å; Q88-F682 HydrophobicContact CB-CE1 4.35Å; Q88-F682 VanDerWaalsContact O-CE1 3.3Å; Q88-F682 WeakPolarHBondContact O-CE1 3.23Å
89T50.1Low66.9Low43 Ų4323.3 Ų23.326%0.26413%0.125SC..SBendtrans-117.7141163.255.80000108.4N71 L87 G91N71-T89 WeakPolarHBondContact ND2-CG2 3.47Å; L87-T89 CarbonylContact C-O 3.51Å; L87-T89 WeakPolarHBondContact CA-O 3.48Å; L87-T89 WeakPolarHBondContact CB-O 3.4Å; L87-T89 WeakPolarHBondContact CD2-O 3.44Å; L87-T89 CarbonylContact O-C 3.46Å; L87-T89 PolarHBondContact O-N 2.88Å; L87-T89 VanDerWaalsContact O-N 3.13Å; T89-G91 PolarHBondContact O-N 2.78Å
90P55.1Low69Low51 Ų5123 Ų2333%0.33112%0.123SC..  trans-55.9-27178.920.4-30.6000112.8L87 Y93L87-P90 WeakPolarHBondContact CD1-O 3.43Å; P90-Y93 HydrophobicContact CB-CE1 4.06Å; P90-Y93 WeakPolarHBondContact O-CD1 3.41Å; P90-Y93 WeakPolarHBondContact O-CE1 3.2Å
91G75Confident70.8Confident37 Ų3725.5 Ų25.538%0.38113%0.134SC..  trans53.5-162-178.400000111.8T89 S254T89-G91 PolarHBondContact O-N 2.78Å; G91-S254 WeakPolarHBondContact O-CB 3.43Å
92R86.3Confident72.6Confident20 Ų2032.6 Ų32.68%0.07517%0.167CC..EExtended strand (participates in β ladder)trans-99.5138.6170.4-72.5-167.2178-101.813.9110.4L215 D223 A226 E227 E230 S255R92-L215 HydrophobicContact CB-CB 3.9Å; R92-L215 HydrophobicContact CB-CD1 4.2Å; R92-L215 WeakPolarHBondContact O-CB 3.35Å; R92-L215 PolarHBondContact O-N 3.05Å; R92-D223 IonicContact CZ-OD1 3.11Å; R92-D223 IonicContact CZ-OD2 3.33Å; R92-D223 VanDerWaalsContact NE-CG 3.34Å; R92-D223 PolarHBondContact NE-O 3.19Å; R92-D223 IonicContact NE-OD1 2.72Å; R92-D223 PolarHBondContact NE-OD1 3.44Å; R92-D223 IonicContact NE-OD2 3.38Å; R92-D223 IonicContact NH2-OD1 2.63Å; R92-D223 IonicContact NH2-OD2 2.97Å; R92-D223 PolarHBondContact NH2-OD2 2.94Å; R92-A226 HydrophobicContact CB-CB 4.33Å; R92-A226 VanDerWaalsContact CD-CB 3.45Å; R92-E227 IonicContact CZ-OE2 3.88Å; R92-E227 VanDerWaalsContact NH1-CA 3.32Å; R92-E227 VanDerWaalsContact NH1-CB 3.27Å; R92-E227 IonicContact NH1-OE2 2.72Å; R92-E227 IonicContact NH2-OE2 3.25Å; R92-E227 PolarHBondContact NH2-OE2 2.84Å; R92-E230 IonicContact NH1-OE2 2.89Å; R92-E230 PolarHBondContact NH1-OE2 2.72Å; R92-S255 PolarHBondContact NH1-OG 3.27Å; R92-S255 VanDerWaalsContact NH1-OG 3.12Å
93Y88.1Confident74.1Confident24 Ų2437 Ų379%0.09419%0.188CC..EExtended strand (participates in β ladder)trans-161.8156.5-178.762.3-91.8000112.3L87 P90 R95 Y213 E230 Y252 T253 S254L87-Y93 HydrophobicContact CD1-CD1 4.16Å; P90-Y93 HydrophobicContact CB-CE1 4.06Å; P90-Y93 WeakPolarHBondContact O-CD1 3.41Å; P90-Y93 WeakPolarHBondContact O-CE1 3.2Å; Y93-R95 HydrophobicContact CD2-CB 4.47Å; Y93-R95 HydrophobicContact CD2-CG 3.76Å; Y93-R95 HydrophobicContact CE2-CG 3.98Å; Y93-Y213 CarbonylContact C-O 3.51Å; Y93-Y213 WeakPolarHBondContact CA-O 3.33Å; Y93-Y213 WeakPolarHBondContact CB-O 3.32Å; Y93-E230 PolarHBondContact N-OE1 3.06Å; Y93-Y252 AromaticContact CE2-CD1 4Å; Y93-Y252 HydrophobicContact CE2-CD1 4Å; Y93-Y252 HydrophobicContact CE2-CE1 4.16Å; Y93-T253 WeakPolarHBondContact O-CA 3.44Å; Y93-T253 WeakPolarHBondContact O-CB 3.45Å; Y93-S254 PolarHBondContact O-N 3.28Å; Y93-S254 VanDerWaalsContact O-N 3.12Å
94G92Very high76.1Confident0 Ų037.1 Ų37.10%019%0.192CC..EExtended strand (participates in β ladder)trans-113.8133.3163.200000110.7T212 Y213 Y252G94-T212 CarbonylContact O-C 3.53Å; G94-T212 WeakPolarHBondContact O-CA 3.41Å; G94-Y213 PolarHBondContact N-O 2.87Å; G94-Y213 PolarHBondContact O-N 3.48Å; G94-Y252 CarbonylContact C-O 3.55Å
95R92.4Very high78.2Confident42 Ų4238.3 Ų38.316%0.15820%0.2CC..EExtended strand (participates in β ladder)trans-121.9145.8174.3-78.6-178.5-178.8166.71109.8Y93 L211 T212 Y214 F233 P251 Y252 Y541Y93-R95 HydrophobicContact CD2-CB 4.47Å; Y93-R95 HydrophobicContact CD2-CG 3.76Å; Y93-R95 HydrophobicContact CE2-CG 3.98Å; R95-L211 CarbonylContact C-O 3.56Å; R95-L211 VanDerWaalsContact CA-O 3.31Å; R95-L211 WeakPolarHBondContact CA-O 3.36Å; R95-T212 HydrophobicContact CG-CG2 3.54Å; R95-T212 WeakPolarHBondContact CG-OG1 3.48Å; R95-T212 PolarHBondContact NE-OG1 3.27Å; R95-Y214 PolarHBondContact NH2-OH 3.17Å; R95-F233 WeakPolarHBondContact O-CE1 3.36Å; R95-F233 WeakPolarHBondContact O-CZ 3.23Å; R95-P251 CarbonylContact O-C 3.59Å; R95-P251 WeakPolarHBondContact O-CA 3.4Å; R95-Y252 PolarHBondContact N-O 2.79Å; R95-Y252 PolarHBondContact O-N 3.14Å; R95-Y252 VanDerWaalsContact O-O 3.13Å; R95-Y541 HydrophobicContact CB-CE2 4.05Å; R95-Y541 WeakPolarHBondContact CD-OH 3.17Å
96V95.6Very high80.5Confident0 Ų037.2 Ų37.20%019%0.193CC..EExtended strand (participates in β ladder)trans-141.5128.6170.957.90000109.9V98 L118 Q210 L211 F233 V237 M249 Y250V96-V98 HydrophobicContact CG2-CG2 4.08Å; V96-L118 HydrophobicContact CG1-CD2 4.23Å; V96-Q210 WeakPolarHBondContact O-CA 3.46Å; V96-L211 HydrophobicContact CG1-CB 3.93Å; V96-L211 HydrophobicContact CG1-CD1 4.42Å; V96-L211 PolarHBondContact N-O 3.41Å; V96-L211 PolarHBondContact O-N 2.72Å; V96-F233 HydrophobicContact CB-CZ 4.07Å; V96-F233 HydrophobicContact CG1-CZ 4.23Å; V96-V237 HydrophobicContact CG2-CG1 3.79Å; V96-V237 HydrophobicContact CG2-CG2 4.5Å; V96-M249 HydrophobicContact CG2-CB 4.04Å; V96-Y250 WeakPolarHBondContact CA-O 3.28Å
97I96Very high82.8Confident0 Ų036.8 Ų36.80%019%0.19CC..EExtended strand (participates in β ladder)trans-95.4125.7166.8-61.8167.6000107.6T99 A208 I209 Q210 M249 Y250 Y541 A544 Q545 F549I97-T99 HydrophobicContact CG2-CG2 3.85Å; I97-A208 HydrophobicContact CG2-CB 4.22Å; I97-I209 CarbonylContact C-O 3.43Å; I97-Q210 HydrophobicContact CG1-CB 4.23Å; I97-Q210 HydrophobicContact CG1-CG 4.01Å; I97-M249 CarbonylContact O-C 3.57Å; I97-M249 VanDerWaalsContact O-CA 3.31Å; I97-M249 WeakPolarHBondContact O-CA 3.48Å; I97-Y250 HydrophobicContact CB-CD2 4.12Å; I97-Y250 HydrophobicContact CG2-CD2 4.16Å; I97-Y250 PolarHBondContact N-O 2.95Å; I97-Y250 VanDerWaalsContact N-O 3.08Å; I97-Y250 PolarHBondContact O-N 3.29Å; I97-Y541 HydrophobicContact CD1-CD2 3.89Å; I97-Y541 HydrophobicContact CD1-CE2 3.63Å; I97-Y541 HydrophobicContact CG1-CD2 4.24Å; I97-Y541 HydrophobicContact CG1-CE2 3.77Å; I97-A544 HydrophobicContact CD1-CB 4.1Å; I97-Q545 HydrophobicContact CD1-CB 4.1Å; I97-F549 HydrophobicContact CD1-CD2 4.32Å; I97-F549 HydrophobicContact CD1-CE2 4.05Å; I97-F549 HydrophobicContact CG1-CE2 4.06Å; I97-F549 HydrophobicContact CG2-CE2 3.89Å
98V96.9Very high84.8Confident0 Ų038.4 Ų38.40%020%0.199CC..EExtended strand (participates in β ladder)trans-110.1125.6177.6-174.10000108.8V96 I115 L118 A208 I209 M249V96-V98 HydrophobicContact CG2-CG2 4.08Å; V98-I115 HydrophobicContact CG1-CD1 4.49Å; V98-I115 HydrophobicContact CG1-CG1 4.19Å; V98-L118 HydrophobicContact CG2-CD2 3.92Å; V98-A208 WeakPolarHBondContact O-CA 3.38Å; V98-I209 PolarHBondContact N-O 2.91Å; V98-I209 PolarHBondContact O-N 3.13Å; V98-M249 HydrophobicContact CG1-CE 4.31Å; V98-M249 HydrophobicContact CG1-CG 4.42Å; V98-M249 HydrophobicContact CG2-CG 4.34Å
99T96.1Very high86.9Confident4 Ų444.1 Ų44.13%0.02523%0.225CC..EExtended strand (participates in β ladder)trans-134166.6177.776.20000110.9I97 A208 V247 K248 Y250 Y548I97-T99 HydrophobicContact CG2-CG2 3.85Å; T99-A208 HydrophobicContact CG2-CB 3.74Å; T99-V247 CarbonylContact O-C 3.48Å; T99-V247 VanDerWaalsContact O-CA 3.32Å; T99-V247 WeakPolarHBondContact O-CA 3.28Å; T99-V247 WeakPolarHBondContact O-CB 3.49Å; T99-K248 PolarHBondContact N-O 3.46Å; T99-K248 PolarHBondContact O-N 3.31Å; T99-Y250 HydrophobicContact CG2-CE2 4.03Å; T99-Y548 HydrophobicContact CG2-CD2 4.09Å; T99-Y548 HydrophobicContact CG2-CE2 3.76Å
100S93.1Very high88.9Confident10 Ų1046.8 Ų46.87%0.0724%0.235CC..EExtended strand (participates in β ladder)trans-98.9145.6167.8170.50000111.5Q102 K103S100-Q102 PolarHBondContact O-N 2.91Å; S100-Q102 PolarHBondContact OG-N 2.78Å; S100-K103 PolarHBondContact O-N 2.97Å
101F86.9Confident90.7Very high121 Ų12144.9 Ų44.953%0.53122%0.221SC..THydrogen-bonded Turntrans-61.5-26.3170.2-73-76.1000113.2S245 K246 V247 K248F101-S245 WeakPolarHBondContact CD2-O 3.48Å; F101-S245 VanDerWaalsContact CE2-O 3.26Å; F101-S245 WeakPolarHBondContact CE2-O 3.4Å; F101-K246 WeakPolarHBondContact CD2-O 3.27Å; F101-K246 PolarHBondContact N-O 3.26Å; F101-V247 VanDerWaalsContact CE2-O 3.28Å; F101-V247 WeakPolarHBondContact CE2-O 3.32Å; F101-K248 HydrophobicContact CE1-CB 4.09Å; F101-K248 HydrophobicContact CE1-CD 3.78Å; F101-K248 HydrophobicContact CE1-CG 4.31Å; F101-K248 HydrophobicContact CE2-CB 4.08Å; F101-K248 HydrophobicContact CZ-CB 3.82Å; F101-K248 HydrophobicContact CZ-CD 4.1Å; F101-K248 HydrophobicContact CZ-CG 4.14Å
102Q85.3Confident91.7Very high173 Ų17343.2 Ų43.281%0.80820%0.204SC*.THydrogen-bonded Turntrans-10316-174.1-63.9-178.2-15.300113.4S100 A104S100-Q102 PolarHBondContact O-N 2.91Å; S100-Q102 PolarHBondContact OG-N 2.78Å; Q102-A104 PolarHBondContact O-N 3.19Å
103K83.2Confident92.1Very high141 Ų14144 Ų4461%0.61321%0.21SC*.  trans52.436.7-172.4-58.5-174.6177.2-173.80113S100S100-K103 PolarHBondContact O-N 2.97Å
104A88.5Confident92.4Very high26 Ų2643.4 Ų43.422%0.21521%0.208CC..  trans-70.1160.3176.800000111.7Q102 M106Q102-A104 PolarHBondContact O-N 3.19Å; A104-M106 HydrophobicContact CB-CE 4.14Å; A104-M106 VanDerWaalsContact O-CE 3.31Å; A104-M106 WeakPolarHBondContact O-CE 3.45Å; A104-M106 PolarHBondContact O-N 3.37Å
105N93.6Very high92.6Very high49 Ų4943.4 Ų43.426%0.26221%0.208SC..  trans-72.7113173.8-176.413.6000110.7L107 D108 H111 S205 A206N105-L107 PolarHBondContact O-N 3.29Å; N105-L107 VanDerWaalsContact O-N 3.15Å; N105-L107 WeakPolarHBondContact OD1-CB 3.29Å; N105-L107 PolarHBondContact OD1-N 3.29Å; N105-L107 VanDerWaalsContact OD1-N 3.12Å; N105-D108 VanDerWaalsContact O-CG 3.23Å; N105-D108 PolarHBondContact O-N 3.42Å; N105-H111 PolarHBondContact O-ND1 3.2Å; N105-S205 WeakPolarHBondContact OD1-CA 3.15Å; N105-A206 PolarHBondContact OD1-N 2.86Å; N105-A206 PolarHBondContact OD1-O 3.38Å
106M93.9Very high92.8Very high0 Ų042.6 Ų42.60%021%0.206CC..THydrogen-bonded Turntrans-66.8-13.6178.6-65.2-60.89200113.4A104 H111 A206 E207 I209A104-M106 HydrophobicContact CB-CE 4.14Å; A104-M106 VanDerWaalsContact O-CE 3.31Å; A104-M106 WeakPolarHBondContact O-CE 3.45Å; A104-M106 PolarHBondContact O-N 3.37Å; M106-H111 HydrophobicContact CE-CB 4.23Å; M106-H111 VanDerWaalsContact CE-CD2 3.5Å; M106-H111 WeakPolarHBondContact CE-CD2 3.44Å; M106-H111 WeakPolarHBondContact O-CB 3.49Å; M106-H111 HydrophobicContact SD-CB 4.31Å; M106-A206 PolarHBondContact N-O 2.58Å; M106-E207 VanDerWaalsContact CG-O 3.24Å; M106-E207 WeakPolarHBondContact CG-O 3.43Å; M106-I209 HydrophobicContact CB-CD1 3.7Å; M106-I209 HydrophobicContact CB-CG1 3.77Å
107L93.1Very high92.8Very high10 Ų1049.4 Ų49.45%0.05224%0.236CC..THydrogen-bonded Turntrans-87.3-2.5174.8-61.4173.8000113.2N105 T112 L157 L160 R164 I173 L192 V203 A206 I209N105-L107 PolarHBondContact O-N 3.29Å; N105-L107 VanDerWaalsContact O-N 3.15Å; N105-L107 WeakPolarHBondContact OD1-CB 3.29Å; N105-L107 PolarHBondContact OD1-N 3.29Å; N105-L107 VanDerWaalsContact OD1-N 3.12Å; L107-T112 PolarHBondContact O-OG1 3.36Å; L107-L157 HydrophobicContact CD2-CD2 3.88Å; L107-L160 HydrophobicContact CB-CD2 4.28Å; L107-L160 HydrophobicContact CD2-CD2 4.41Å; L107-L160 WeakPolarHBondContact O-CD2 3.43Å; L107-R164 VanDerWaalsContact O-CZ 3.24Å; L107-R164 PolarHBondContact O-NH1 2.81Å; L107-R164 PolarHBondContact O-NH2 2.73Å; L107-I173 HydrophobicContact CD1-CD1 4.29Å; L107-I173 HydrophobicContact CD2-CD1 4.22Å; L107-L192 HydrophobicContact CD2-CD2 4.1Å; L107-V203 HydrophobicContact CD1-CB 4.45Å; L107-V203 HydrophobicContact CD1-CG1 3.49Å; L107-V203 VanDerWaalsContact CD1-CG1 3.49Å; L107-A206 HydrophobicContact CD1-CB 4.14Å; L107-A206 HydrophobicContact CG-CB 4.23Å; L107-I209 HydrophobicContact CD2-CD1 3.94Å
108D92.3Very high92.8Very high51 Ų5149.4 Ų49.427%0.27324%0.236SC..SBendtrans-65169.3175.375.616.7000112.3N105 H110 H111 T112 R164N105-D108 VanDerWaalsContact O-CG 3.23Å; N105-D108 PolarHBondContact O-N 3.42Å; D108-H110 VanDerWaalsContact C-N 3.33Å; D108-H110 PolarHBondContact O-N 3.22Å; D108-H110 PolarHBondContact OD1-N 2.98Å; D108-H111 VanDerWaalsContact OD1-CB 3.31Å; D108-H111 WeakPolarHBondContact OD1-CB 3.44Å; D108-H111 IonicContact OD1-CE1 2.84Å; D108-H111 IonicContact OD1-CG 3.95Å; D108-H111 VanDerWaalsContact OD1-CG 3.31Å; D108-H111 PolarHBondContact OD1-N 3.32Å; D108-H111 IonicContact OD1-ND1 3.95Å; D108-H111 PolarHBondContact OD1-ND1 2.89Å; D108-H111 IonicContact OD2-CE1 3.75Å; D108-H111 PolarHBondContact OD2-CE1 2.9Å; D108-H111 IonicContact OD2-ND1 3.07Å; D108-H111 PolarHBondContact OD2-ND1 2.9Å; D108-T112 WeakPolarHBondContact O-CB 3.47Å; D108-T112 PolarHBondContact O-N 3.1Å; D108-T112 PolarHBondContact O-OG1 2.97Å; D108-R164 VanDerWaalsContact C-NH1 3.26Å; D108-R164 PolarHBondContact O-NH1 3.14Å
109Q91.1Very high92.8Very high124 Ų12450.7 Ų50.758%0.57924%0.242SC*.Hα-helixtrans-61.3-42.4-175.6-177.4175.9-7.500112.2D113Q109-D113 WeakPolarHBondContact O-CB 3.37Å; Q109-D113 PolarHBondContact O-N 3.42Å
110H91.9Very high92.8Very high100 Ų10052.3 Ų52.346%0.46326%0.256SS..Hα-helixtrans-65.3-49.8-176-17962.8000112.1D108 D113 L114D108-H110 VanDerWaalsContact C-N 3.33Å; D108-H110 PolarHBondContact O-N 3.22Å; D108-H110 PolarHBondContact OD1-N 2.98Å; H110-D113 PolarHBondContact O-N 2.87Å; H110-L114 WeakPolarHBondContact O-CB 3.39Å; H110-L114 PolarHBondContact O-N 3.23Å
111H94.1Very high92.9Very high11 Ų1153.4 Ų53.45%0.05127%0.265CS..Hα-helixtrans-70.9-37.8-179.9-61.4107.8000111.4N105 M106 D108 D113 L114 I115N105-H111 PolarHBondContact O-ND1 3.2Å; M106-H111 HydrophobicContact CE-CB 4.23Å; M106-H111 VanDerWaalsContact CE-CD2 3.5Å; M106-H111 WeakPolarHBondContact CE-CD2 3.44Å; M106-H111 WeakPolarHBondContact O-CB 3.49Å; M106-H111 HydrophobicContact SD-CB 4.31Å; D108-H111 VanDerWaalsContact OD1-CB 3.31Å; D108-H111 WeakPolarHBondContact OD1-CB 3.44Å; D108-H111 IonicContact OD1-CE1 2.84Å; D108-H111 IonicContact OD1-CG 3.95Å; D108-H111 VanDerWaalsContact OD1-CG 3.31Å; D108-H111 PolarHBondContact OD1-N 3.32Å; D108-H111 IonicContact OD1-ND1 3.95Å; D108-H111 PolarHBondContact OD1-ND1 2.89Å; D108-H111 IonicContact OD2-CE1 3.75Å; D108-H111 PolarHBondContact OD2-CE1 2.9Å; D108-H111 IonicContact OD2-ND1 3.07Å; D108-H111 PolarHBondContact OD2-ND1 2.9Å; H111-D113 PolarHBondContact O-N 3.39Å; H111-L114 PolarHBondContact O-N 3.13Å; H111-I115 WeakPolarHBondContact O-CB 3.2Å; H111-I115 WeakPolarHBondContact O-CG1 3.43Å; H111-I115 PolarHBondContact O-N 2.89Å
112T94.3Very high93.4Very high1 Ų147.6 Ų47.61%0.00624%0.24CC..Hα-helixtrans-57.6-49.4173.5-60.50000111L107 D108 L114 I115 L116 L157 K161 R164L107-T112 PolarHBondContact O-OG1 3.36Å; D108-T112 WeakPolarHBondContact O-CB 3.47Å; D108-T112 PolarHBondContact O-N 3.1Å; D108-T112 PolarHBondContact O-OG1 2.97Å; T112-L114 VanDerWaalsContact C-N 3.3Å; T112-L114 PolarHBondContact O-N 2.95Å; T112-I115 PolarHBondContact O-N 3.43Å; T112-L116 HydrophobicContact CG2-CD1 4.19Å; T112-L116 WeakPolarHBondContact O-CG 3.16Å; T112-L116 PolarHBondContact O-N 3.49Å; T112-L157 HydrophobicContact CG2-CB 4.02Å; T112-L157 HydrophobicContact CG2-CD2 3.95Å; T112-K161 HydrophobicContact CG2-CB 4.47Å; T112-R164 PolarHBondContact OG1-NH1 3.45Å
113D94.7Very high93.8Very high38 Ų3841.2 Ų41.220%0.20321%0.213CC..Hα-helixtrans-62.9-37.8178-82-34.5000112.4Q109 H110 H111 K117 K161Q109-D113 WeakPolarHBondContact O-CB 3.37Å; Q109-D113 PolarHBondContact O-N 3.42Å; H110-D113 PolarHBondContact O-N 2.87Å; H111-D113 PolarHBondContact O-N 3.39Å; D113-K117 WeakPolarHBondContact O-CB 3.18Å; D113-K117 VanDerWaalsContact O-CG 3.28Å; D113-K117 WeakPolarHBondContact O-CG 3.31Å; D113-K117 PolarHBondContact O-N 3.26Å; D113-K161 VanDerWaalsContact OD1-CD 3.29Å; D113-K161 WeakPolarHBondContact OD1-CD 3.45Å; D113-K161 WeakPolarHBondContact OD1-CE 3.49Å; D113-K161 IonicContact OD1-NZ 3.38Å; D113-K161 PolarHBondContact OD1-NZ 3.29Å
114L94.9Very high94.4Very high10 Ų1041.8 Ų41.85%0.05222%0.216CC..Hα-helixtrans-65.9-43.4177.3-176.4151.7000111.7H110 H111 T112 K117 L118 F240 N244 V247 M249H110-L114 WeakPolarHBondContact O-CB 3.39Å; H110-L114 PolarHBondContact O-N 3.23Å; H111-L114 PolarHBondContact O-N 3.13Å; T112-L114 VanDerWaalsContact C-N 3.3Å; T112-L114 PolarHBondContact O-N 2.95Å; L114-K117 WeakPolarHBondContact O-CB 3.24Å; L114-K117 PolarHBondContact O-N 2.99Å; L114-L118 PolarHBondContact O-N 3.32Å; L114-F240 HydrophobicContact CD2-CE1 3.85Å; L114-F240 HydrophobicContact CG-CE1 3.99Å; L114-F240 HydrophobicContact CG-CZ 4.47Å; L114-N244 HydrophobicContact CD1-CB 3.92Å; L114-N244 WeakPolarHBondContact CD1-OD1 3.45Å; L114-V247 HydrophobicContact CD1-CG1 4.12Å; L114-V247 HydrophobicContact CD1-CG2 4.06Å; L114-V247 HydrophobicContact CD2-CG1 4.27Å; L114-V247 HydrophobicContact CD2-CG2 4.01Å; L114-M249 HydrophobicContact CD2-CE 3.73Å
115I96Very high94.7Very high1 Ų141.1 Ų41.11%0.00521%0.208CC..Hα-helixtrans-66.1-40.5178.7-68.2166.2000110.6V98 H111 T112 K117 L118 H119 L157 I209 L211V98-I115 HydrophobicContact CG1-CD1 4.49Å; V98-I115 HydrophobicContact CG1-CG1 4.19Å; H111-I115 WeakPolarHBondContact O-CB 3.2Å; H111-I115 WeakPolarHBondContact O-CG1 3.43Å; H111-I115 PolarHBondContact O-N 2.89Å; T112-I115 PolarHBondContact O-N 3.43Å; I115-K117 VanDerWaalsContact C-N 3.34Å; I115-K117 PolarHBondContact O-N 3.02Å; I115-L118 WeakPolarHBondContact O-CB 3.42Å; I115-L118 PolarHBondContact O-N 3.41Å; I115-H119 PolarHBondContact O-N 3.36Å; I115-L157 HydrophobicContact CB-CD1 4.31Å; I115-L157 HydrophobicContact CG2-CD1 3.65Å; I115-I209 HydrophobicContact CD1-CB 4.07Å; I115-I209 HydrophobicContact CD1-CD1 3.57Å; I115-I209 HydrophobicContact CD1-CG1 4.27Å; I115-I209 HydrophobicContact CD1-CG2 4.34Å; I115-L211 HydrophobicContact CG2-CD1 3.86Å; I115-L211 HydrophobicContact CG2-CD2 4.49Å; I115-L211 HydrophobicContact CG2-CG 4.47Å
116L96.7Very high94.8Very high24 Ų2444.4 Ų44.413%0.12622%0.222CC..Hα-helixtrans-66.3-35.2174.6-67.4175.1000112.2T112 H119 A120 V154 L157 E158 K161T112-L116 HydrophobicContact CG2-CD1 4.19Å; T112-L116 WeakPolarHBondContact O-CG 3.16Å; T112-L116 PolarHBondContact O-N 3.49Å; L116-H119 PolarHBondContact O-N 2.96Å; L116-A120 WeakPolarHBondContact O-CB 3.39Å; L116-A120 PolarHBondContact O-N 2.66Å; L116-V154 HydrophobicContact CD2-CG1 4.06Å; L116-L157 HydrophobicContact CD2-CB 4.06Å; L116-L157 HydrophobicContact CG-CB 4.38Å; L116-E158 HydrophobicContact CD1-CG 4.29Å; L116-E158 HydrophobicContact CD2-CG 3.72Å; L116-K161 HydrophobicContact CD1-CB 4.42Å; L116-K161 HydrophobicContact CD1-CD 3.87Å
117K96.4Very high94.8Very high143 Ų14344.4 Ų44.462%0.62222%0.222SC*.Hα-helixtrans-65.5-40.7170.9-75.6173.1-177.1179.10112.1D113 L114 I115 A120 A121 F240D113-K117 WeakPolarHBondContact O-CB 3.18Å; D113-K117 VanDerWaalsContact O-CG 3.28Å; D113-K117 WeakPolarHBondContact O-CG 3.31Å; D113-K117 PolarHBondContact O-N 3.26Å; L114-K117 WeakPolarHBondContact O-CB 3.24Å; L114-K117 PolarHBondContact O-N 2.99Å; I115-K117 VanDerWaalsContact C-N 3.34Å; I115-K117 PolarHBondContact O-N 3.02Å; K117-A120 PolarHBondContact O-N 3.05Å; K117-A121 PolarHBondContact O-N 3.02Å; K117-F240 HydrophobicContact CB-CE2 4.26Å; K117-F240 HydrophobicContact CB-CZ 3.93Å
118L96.4Very high94.7Very high0 Ų048.4 Ų48.40%025%0.249CC..Hα-helixtrans-60.7-46.2173.8176.366.4000110.5V96 V98 L114 I115 A120 A121 V122 V237 F240 M249V96-L118 HydrophobicContact CG1-CD2 4.23Å; V98-L118 HydrophobicContact CG2-CD2 3.92Å; L114-L118 PolarHBondContact O-N 3.32Å; I115-L118 WeakPolarHBondContact O-CB 3.42Å; I115-L118 PolarHBondContact O-N 3.41Å; L118-A120 VanDerWaalsContact C-N 3.35Å; L118-A120 PolarHBondContact O-N 3.49Å; L118-A121 WeakPolarHBondContact O-CB 3.05Å; L118-A121 PolarHBondContact O-N 3.4Å; L118-A121 VanDerWaalsContact O-N 3.1Å; L118-V122 HydrophobicContact CD1-CG2 4.29Å; L118-V122 HydrophobicContact CG-CG2 4.49Å; L118-V122 WeakPolarHBondContact O-CG2 3.43Å; L118-V122 PolarHBondContact O-N 3.21Å; L118-V237 HydrophobicContact CD1-CG2 4.38Å; L118-F240 HydrophobicContact CB-CD1 4.28Å; L118-F240 HydrophobicContact CB-CE1 3.9Å; L118-F240 HydrophobicContact CB-CE2 4.31Å; L118-F240 HydrophobicContact CB-CZ 3.92Å; L118-F240 HydrophobicContact CD1-CB 3.97Å; L118-F240 HydrophobicContact CD1-CD1 3.84Å; L118-F240 HydrophobicContact CD1-CD2 4.11Å; L118-F240 HydrophobicContact CD1-CE1 4.33Å; L118-F240 HydrophobicContact CD1-CG 3.7Å; L118-M249 HydrophobicContact CD1-SD 4.21Å; L118-M249 HydrophobicContact CD2-CE 4.01Å; L118-M249 HydrophobicContact CD2-SD 3.87Å
119H96Very high94.5Very high27 Ų2750.8 Ų50.813%0.12525%0.254CS..Hα-helixtrans-57.5-45.9175.7177.364.5000112.3I115 L116 A121 V122 T123 V150 Y213I115-H119 PolarHBondContact O-N 3.36Å; L116-H119 PolarHBondContact O-N 2.96Å; H119-A121 VanDerWaalsContact C-N 3.3Å; H119-A121 PolarHBondContact O-N 3.31Å; H119-V122 PolarHBondContact O-N 3.22Å; H119-T123 VanDerWaalsContact CE1-CG2 3.44Å; H119-T123 WeakPolarHBondContact CE1-CG2 3.25Å; H119-T123 WeakPolarHBondContact O-CG2 3.36Å; H119-T123 PolarHBondContact O-N 3.48Å; H119-T123 PolarHBondContact O-OG1 3.19Å; H119-V150 VanDerWaalsContact CE1-CG1 3.44Å; H119-V150 WeakPolarHBondContact CE1-CG1 3.4Å; H119-Y213 WeakPolarHBondContact CA-OH 3.18Å; H119-Y213 AromaticContact CE1-CE1 3.9Å; H119-Y213 AromaticContact ND1-CE1 3.47Å; H119-Y213 WeakPolarHBondContact ND1-CE1 3.27Å; H119-Y213 AromaticContact ND1-CZ 3.74Å; H119-Y213 PolarHBondContact ND1-OH 2.67Å; H119-Y213 VanDerWaalsContact ND1-OH 3.13Å
120A96.1Very high94.2Very high39 Ų3950.9 Ų50.932%0.32227%0.265SS..Hα-helixtrans-63.4-33.7175.500000112.9L116 K117 L118 T123 K124L116-A120 WeakPolarHBondContact O-CB 3.39Å; L116-A120 PolarHBondContact O-N 2.66Å; K117-A120 PolarHBondContact O-N 3.05Å; L118-A120 VanDerWaalsContact C-N 3.35Å; L118-A120 PolarHBondContact O-N 3.49Å; A120-T123 WeakPolarHBondContact CA-OG1 3.23Å; A120-T123 PolarHBondContact O-OG1 3.24Å; A120-K124 WeakPolarHBondContact O-CB 3.31Å; A120-K124 WeakPolarHBondContact O-CD 3.16Å; A120-K124 WeakPolarHBondContact O-CG 3.33Å; A120-K124 PolarHBondContact O-N 3.47Å
121A96.4Very high93.9Very high32 Ų3250.4 Ų50.426%0.26429%0.287SS..Hα-helixtrans-69.9-45175.200000111.6K117 L118 H119 K124 I125 T236 F240K117-A121 PolarHBondContact O-N 3.02Å; L118-A121 WeakPolarHBondContact O-CB 3.05Å; L118-A121 PolarHBondContact O-N 3.4Å; L118-A121 VanDerWaalsContact O-N 3.1Å; H119-A121 VanDerWaalsContact C-N 3.3Å; H119-A121 PolarHBondContact O-N 3.31Å; A121-K124 PolarHBondContact O-N 3.46Å; A121-I125 PolarHBondContact O-N 3.02Å; A121-T236 HydrophobicContact CB-CG2 4.34Å; A121-F240 HydrophobicContact CB-CD2 4.29Å; A121-F240 HydrophobicContact CB-CE2 4.45Å
122V96.2Very high93.8Very high0 Ų054 Ų540%030%0.303CS..Hα-helixtrans-63.7-44.3179.6169.70000112L118 H119 K124 I125 Y213 W229 F233L118-V122 HydrophobicContact CD1-CG2 4.29Å; L118-V122 HydrophobicContact CG-CG2 4.49Å; L118-V122 WeakPolarHBondContact O-CG2 3.43Å; L118-V122 PolarHBondContact O-N 3.21Å; H119-V122 PolarHBondContact O-N 3.22Å; V122-K124 PolarHBondContact O-N 3.12Å; V122-I125 HydrophobicContact CB-CD1 4.41Å; V122-I125 HydrophobicContact CG1-CD1 4.26Å; V122-I125 WeakPolarHBondContact O-CB 3.45Å; V122-I125 WeakPolarHBondContact O-CD1 3.25Å; V122-I125 VanDerWaalsContact O-CG1 3.23Å; V122-I125 WeakPolarHBondContact O-CG1 3.47Å; V122-I125 PolarHBondContact O-N 3.16Å; V122-Y213 HydrophobicContact CB-CE1 4.17Å; V122-Y213 HydrophobicContact CB-CE2 4.42Å; V122-Y213 HydrophobicContact CG1-CD1 3.77Å; V122-Y213 HydrophobicContact CG1-CD2 4.01Å; V122-Y213 HydrophobicContact CG1-CE1 3.56Å; V122-Y213 HydrophobicContact CG1-CE2 3.83Å; V122-Y213 HydrophobicContact CG1-CG 3.99Å; V122-Y213 HydrophobicContact CG2-CE2 4.46Å; V122-W229 HydrophobicContact CG1-CH2 3.86Å; V122-W229 HydrophobicContact CG1-CZ2 3.67Å; V122-F233 HydrophobicContact CG1-CD2 3.72Å; V122-F233 HydrophobicContact CG1-CE2 3.91Å; V122-F233 HydrophobicContact CG2-CD2 3.98Å; V122-F233 HydrophobicContact CG2-CE2 3.9Å
123T93.6Very high93.7Very high39 Ų3957.9 Ų57.924%0.23932%0.323CS..Hα-helixtrans-67.4-23.1179.549.90000113.3H119 A120 F136H119-T123 VanDerWaalsContact CE1-CG2 3.44Å; H119-T123 WeakPolarHBondContact CE1-CG2 3.25Å; H119-T123 WeakPolarHBondContact O-CG2 3.36Å; H119-T123 PolarHBondContact O-N 3.48Å; H119-T123 PolarHBondContact O-OG1 3.19Å; A120-T123 WeakPolarHBondContact CA-OG1 3.23Å; A120-T123 PolarHBondContact O-OG1 3.24Å; T123-F136 HydrophobicContact CG2-CD1 3.91Å; T123-F136 HydrophobicContact CG2-CE1 4.36Å
124K95.2Very high93.6Very high153 Ų15358 Ų5867%0.66532%0.321SS*.THydrogen-bonded Turntrans-89.4-0.9176.4-71.5177-176.2-179.30114.3A120 A121 V122 Q126A120-K124 WeakPolarHBondContact O-CB 3.31Å; A120-K124 WeakPolarHBondContact O-CD 3.16Å; A120-K124 WeakPolarHBondContact O-CG 3.33Å; A120-K124 PolarHBondContact O-N 3.47Å; A121-K124 PolarHBondContact O-N 3.46Å; V122-K124 PolarHBondContact O-N 3.12Å; K124-Q126 WeakPolarHBondContact O-CG 3.07Å; K124-Q126 PolarHBondContact O-N 3.03Å
125I96.6Very high93.5Very high11 Ų1159 Ų596%0.05633%0.328CS..  trans-54.5128.8175.6-69.1170.7000109.2A121 V122 T135 W229 F233 T236A121-I125 PolarHBondContact O-N 3.02Å; V122-I125 HydrophobicContact CB-CD1 4.41Å; V122-I125 HydrophobicContact CG1-CD1 4.26Å; V122-I125 WeakPolarHBondContact O-CB 3.45Å; V122-I125 WeakPolarHBondContact O-CD1 3.25Å; V122-I125 VanDerWaalsContact O-CG1 3.23Å; V122-I125 WeakPolarHBondContact O-CG1 3.47Å; V122-I125 PolarHBondContact O-N 3.16Å; I125-T135 WeakPolarHBondContact O-CA 3.35Å; I125-W229 HydrophobicContact CD1-CZ2 4.28Å; I125-W229 HydrophobicContact CG2-CG 4.44Å; I125-F233 HydrophobicContact CD1-CB 4.13Å; I125-F233 HydrophobicContact CD1-CD2 4.49Å; I125-T236 HydrophobicContact CD1-CG2 4.21Å; I125-T236 HydrophobicContact CG1-CG2 4.25Å
126Q94.1Very high93.3Very high118 Ų11859.1 Ų59.155%0.55133%0.328SS*.EExtended strand (participates in β ladder)trans-110.4130.5177.2-57.4-167.6-9.500110.2K124 P128 Y134 T135K124-Q126 WeakPolarHBondContact O-CG 3.07Å; K124-Q126 PolarHBondContact O-N 3.03Å; Q126-P128 WeakPolarHBondContact O-CD 3.16Å; Q126-Y134 CarbonylContact C-O 3.55Å; Q126-Y134 VanDerWaalsContact CA-O 3.31Å; Q126-Y134 WeakPolarHBondContact CA-O 3.37Å; Q126-T135 HydrophobicContact CG-CG2 4.24Å
127V93.8Very high93Very high1 Ų160.8 Ų60.81%0.00635%0.346CS..EExtended strand (participates in β ladder)trans-109.799.8172.81770000107.7Y134 V225 R228 W229V127-Y134 PolarHBondContact N-O 3.46Å; V127-Y134 PolarHBondContact O-N 2.97Å; V127-V225 HydrophobicContact CB-CG1 4.34Å; V127-V225 HydrophobicContact CG1-CG1 4.16Å; V127-R228 HydrophobicContact CG1-CB 3.83Å; V127-R228 HydrophobicContact CG1-CG 3.57Å; V127-R228 HydrophobicContact CG2-CG 4.46Å; V127-W229 HydrophobicContact CG2-CB 3.86Å; V127-W229 HydrophobicContact CG2-CG 4.39Å
128P92.2Very high92.7Very high94 Ų9458.5 Ų58.561%0.6134%0.337SS*.EExtended strand (participates in β ladder)trans-71.4132.6-178.228.3-33.6000111.2Q126 N133Q126-P128 WeakPolarHBondContact O-CD 3.16Å; P128-N133 VanDerWaalsContact CA-OD1 3.27Å; P128-N133 WeakPolarHBondContact CA-OD1 3.41Å; P128-N133 WeakPolarHBondContact CB-OD1 3.35Å
129R86.9Confident92.3Very high100 Ų10058.5 Ų58.538%0.37734%0.337SS..EExtended strand (participates in β ladder)trans-131.5156.7170.8-88.7-75.9176.4176.6-9.5109.5G131 F132 Y134 M224 V225R129-G131 PolarHBondContact O-N 3.15Å; R129-F132 CarbonylContact C-O 3.59Å; R129-F132 WeakPolarHBondContact CA-O 3.25Å; R129-F132 WeakPolarHBondContact CB-O 3.1Å; R129-F132 PolarHBondContact N-O 2.91Å; R129-F132 CarbonylContact O-C 3.45Å; R129-F132 PolarHBondContact O-N 3.44Å; R129-Y134 HydrophobicContact CB-CD2 4.1Å; R129-Y134 HydrophobicContact CB-CE2 3.89Å; R129-Y134 HydrophobicContact CG-CD2 4.15Å; R129-Y134 HydrophobicContact CG-CE2 4.04Å; R129-M224 PolarHBondContact NH2-SD 3.11Å; R129-V225 HydrophobicContact CG-CG2 4.42Å
130P85.5Confident91.9Very high127 Ų12757.3 Ų57.383%0.82533%0.331SS*.THydrogen-bonded Turntrans-51.3115.4175.5-25.534.2000110.9F132P130-F132 PolarHBondContact O-N 2.97Å
131G86.8Confident91.2Very high89 Ų8956.7 Ų56.792%0.91832%0.323SS*.THydrogen-bonded Turntrans83.8-10.117900000116.8R129R129-G131 PolarHBondContact O-N 3.15Å
132F91.7Very high90.4Very high88 Ų8858.3 Ų58.339%0.38633%0.326SS..EExtended strand (participates in β ladder)trans-154.4133.9-178.2-165-101.9000113.4R129 P130 Y134 H138R129-F132 CarbonylContact C-O 3.59Å; R129-F132 WeakPolarHBondContact CA-O 3.25Å; R129-F132 WeakPolarHBondContact CB-O 3.1Å; R129-F132 PolarHBondContact N-O 2.91Å; R129-F132 CarbonylContact O-C 3.45Å; R129-F132 PolarHBondContact O-N 3.44Å; P130-F132 PolarHBondContact O-N 2.97Å; F132-Y134 HydrophobicContact CB-CE2 4.31Å; F132-Y134 AromaticContact CD1-CD1 3.74Å; F132-Y134 HydrophobicContact CD1-CD1 3.74Å; F132-Y134 AromaticContact CD1-CD2 3.68Å; F132-Y134 HydrophobicContact CD1-CD2 3.68Å; F132-Y134 AromaticContact CD1-CE1 3.73Å; F132-Y134 HydrophobicContact CD1-CE1 3.73Å; F132-Y134 AromaticContact CD1-CE2 3.66Å; F132-Y134 HydrophobicContact CD1-CE2 3.66Å; F132-Y134 AromaticContact CD1-CG 3.71Å; F132-Y134 HydrophobicContact CD1-CG 3.71Å; F132-Y134 AromaticContact CD1-CZ 3.68Å; F132-Y134 AromaticContact CE1-CD1 3.68Å; F132-Y134 HydrophobicContact CE1-CD1 3.68Å; F132-Y134 HydrophobicContact CE1-CD2 4.39Å; F132-Y134 AromaticContact CE1-CE1 3.86Å; F132-Y134 HydrophobicContact CE1-CE1 3.86Å; F132-Y134 AromaticContact CE1-CG 3.95Å; F132-Y134 HydrophobicContact CE1-CG 3.95Å; F132-Y134 HydrophobicContact CG-CE2 4.45Å; F132-H138 AromaticContact CE1-CD2 3.89Å; F132-H138 AromaticContact CE1-CG 3.92Å; F132-H138 AromaticContact CZ-CD2 3.57Å; F132-H138 AromaticContact CZ-CE1 3.82Å; F132-H138 AromaticContact CZ-NE2 3.43Å; F132-H138 WeakPolarHBondContact CZ-NE2 3.38Å
133N92.2Very high89.4Confident81 Ų8159.6 Ų59.643%0.43333%0.333SS..EExtended strand (participates in β ladder)trans-99.5103.7172.1-74.2-5.3000109.5P128P128-N133 VanDerWaalsContact CA-OD1 3.27Å; P128-N133 WeakPolarHBondContact CA-OD1 3.41Å; P128-N133 WeakPolarHBondContact CB-OD1 3.35Å
134Y92.9Very high88.3Confident41 Ų4161.9 Ų61.916%0.16134%0.344CS..EExtended strand (participates in β ladder)trans-69.3139.8177.1-68.7-91.2000110.1Q126 V127 R129 F132 H138 I139 V225Q126-Y134 CarbonylContact C-O 3.55Å; Q126-Y134 VanDerWaalsContact CA-O 3.31Å; Q126-Y134 WeakPolarHBondContact CA-O 3.37Å; V127-Y134 PolarHBondContact N-O 3.46Å; V127-Y134 PolarHBondContact O-N 2.97Å; R129-Y134 HydrophobicContact CB-CD2 4.1Å; R129-Y134 HydrophobicContact CB-CE2 3.89Å; R129-Y134 HydrophobicContact CG-CD2 4.15Å; R129-Y134 HydrophobicContact CG-CE2 4.04Å; F132-Y134 HydrophobicContact CB-CE2 4.31Å; F132-Y134 AromaticContact CD1-CD1 3.74Å; F132-Y134 HydrophobicContact CD1-CD1 3.74Å; F132-Y134 AromaticContact CD1-CD2 3.68Å; F132-Y134 HydrophobicContact CD1-CD2 3.68Å; F132-Y134 AromaticContact CD1-CE1 3.73Å; F132-Y134 HydrophobicContact CD1-CE1 3.73Å; F132-Y134 AromaticContact CD1-CE2 3.66Å; F132-Y134 HydrophobicContact CD1-CE2 3.66Å; F132-Y134 AromaticContact CD1-CG 3.71Å; F132-Y134 HydrophobicContact CD1-CG 3.71Å; F132-Y134 AromaticContact CD1-CZ 3.68Å; F132-Y134 AromaticContact CE1-CD1 3.68Å; F132-Y134 HydrophobicContact CE1-CD1 3.68Å; F132-Y134 HydrophobicContact CE1-CD2 4.39Å; F132-Y134 AromaticContact CE1-CE1 3.86Å; F132-Y134 HydrophobicContact CE1-CE1 3.86Å; F132-Y134 AromaticContact CE1-CG 3.95Å; F132-Y134 HydrophobicContact CE1-CG 3.95Å; F132-Y134 HydrophobicContact CG-CE2 4.45Å; Y134-H138 HydrophobicContact CD1-CB 3.99Å; Y134-I139 HydrophobicContact CD1-CG2 4.24Å; Y134-V225 HydrophobicContact CD1-CG1 4.05Å; Y134-V225 HydrophobicContact CD2-CG1 3.96Å; Y134-V225 HydrophobicContact CD2-CG2 3.88Å; Y134-V225 HydrophobicContact CE2-CG2 3.91Å; Y134-V225 HydrophobicContact CG-CG1 3.6Å; Y134-V225 HydrophobicContact CG-CG2 4.23Å
135T92.3Very high87.3Confident31 Ų3160.5 Ų60.519%0.1934%0.344CS..EExtended strand (participates in β ladder)trans-120.3171171.768.30000109.2I125 Q126 A137 H138I125-T135 WeakPolarHBondContact O-CA 3.35Å; Q126-T135 HydrophobicContact CG-CG2 4.24Å; T135-A137 PolarHBondContact O-N 2.81Å; T135-A137 VanDerWaalsContact O-N 3.11Å; T135-A137 PolarHBondContact OG1-N 2.69Å; T135-H138 PolarHBondContact N-ND1 3.28Å; T135-H138 VanDerWaalsContact N-ND1 3.17Å; T135-H138 WeakPolarHBondContact O-CB 3.43Å; T135-H138 PolarHBondContact O-N 2.87Å; T135-H138 PolarHBondContact OG1-CE1 2.95Å; T135-H138 PolarHBondContact OG1-ND1 3.38Å
136F91.6Very high86.4Confident4 Ų468.4 Ų68.42%0.01838%0.378CS..Hα-helixtrans-50.5-38.6175178-109.6000112.2T123 H138 I139 C140 C148 V150 Y213 L215 W229T123-F136 HydrophobicContact CG2-CD1 3.91Å; T123-F136 HydrophobicContact CG2-CE1 4.36Å; F136-H138 PolarHBondContact O-N 2.88Å; F136-H138 VanDerWaalsContact O-N 3.1Å; F136-I139 PolarHBondContact O-N 2.83Å; F136-I139 VanDerWaalsContact O-N 3.15Å; F136-C140 HydrophobicContact CD1-CB 4.17Å; F136-C140 HydrophobicContact CD2-CB 4.16Å; F136-C140 HydrophobicContact CE1-CB 3.74Å; F136-C140 HydrophobicContact CE2-CB 3.72Å; F136-C140 HydrophobicContact CG-CB 4.37Å; F136-C140 HydrophobicContact CZ-CB 3.5Å; F136-C140 VanDerWaalsContact CZ-CB 3.5Å; F136-C140 VanDerWaalsContact O-CB 3.24Å; F136-C140 WeakPolarHBondContact O-CB 3.43Å; F136-C140 PolarHBondContact O-N 2.86Å; F136-C148 HydrophobicContact CE1-CB 3.83Å; F136-C148 HydrophobicContact CZ-CB 4.5Å; F136-V150 HydrophobicContact CE1-CG2 4.15Å; F136-Y213 HydrophobicContact CE1-CD1 4.49Å; F136-Y213 HydrophobicContact CE2-CD1 4.15Å; F136-Y213 HydrophobicContact CZ-CD1 4.03Å; F136-L215 HydrophobicContact CD2-CD2 4Å; F136-L215 HydrophobicContact CE2-CD2 3.95Å; F136-W229 HydrophobicContact CB-CZ2 4.41Å; F136-W229 HydrophobicContact CD2-CH2 4.27Å; F136-W229 AromaticContact CD2-CZ2 3.64Å; F136-W229 HydrophobicContact CD2-CZ2 3.64Å; F136-W229 HydrophobicContact CE2-CZ2 4.36Å; F136-W229 HydrophobicContact CG-CZ2 4.34Å
137A90Very high85.8Confident59 Ų5966 Ų6649%0.48837%0.371SS..Hα-helixtrans-59.6-22.9178.800000115T135T135-A137 PolarHBondContact O-N 2.81Å; T135-A137 VanDerWaalsContact O-N 3.11Å; T135-A137 PolarHBondContact OG1-N 2.69Å
138H89.5Confident85.5Confident94 Ų9467.4 Ų67.444%0.43538%0.381SS..Hα-helixtrans-90.7-17-178.3-61.299.7000113.6F132 Y134 T135 F136F132-H138 AromaticContact CE1-CD2 3.89Å; F132-H138 AromaticContact CE1-CG 3.92Å; F132-H138 AromaticContact CZ-CD2 3.57Å; F132-H138 AromaticContact CZ-CE1 3.82Å; F132-H138 AromaticContact CZ-NE2 3.43Å; F132-H138 WeakPolarHBondContact CZ-NE2 3.38Å; Y134-H138 HydrophobicContact CD1-CB 3.99Å; T135-H138 PolarHBondContact N-ND1 3.28Å; T135-H138 VanDerWaalsContact N-ND1 3.17Å; T135-H138 WeakPolarHBondContact O-CB 3.43Å; T135-H138 PolarHBondContact O-N 2.87Å; T135-H138 PolarHBondContact OG1-CE1 2.95Å; T135-H138 PolarHBondContact OG1-ND1 3.38Å; F136-H138 PolarHBondContact O-N 2.88Å; F136-H138 VanDerWaalsContact O-N 3.1Å
139I88Confident84.8Confident1 Ų163 Ų631%0.00535%0.352CS..Hα-helixtrans-129.1-1.1-173.261.1170.2000113.2Y134 F136 L215 Q216 V225 W229Y134-I139 HydrophobicContact CD1-CG2 4.24Å; F136-I139 PolarHBondContact O-N 2.83Å; F136-I139 VanDerWaalsContact O-N 3.15Å; I139-L215 HydrophobicContact CD1-CD2 3.95Å; I139-L215 HydrophobicContact CG1-CD2 4.07Å; I139-L215 CarbonylContact O-C 3.59Å; I139-L215 VanDerWaalsContact O-CA 3.32Å; I139-L215 WeakPolarHBondContact O-CA 3.43Å; I139-Q216 PolarHBondContact O-N 2.85Å; I139-V225 HydrophobicContact CD1-CG1 4.38Å; I139-V225 HydrophobicContact CG2-CB 4.48Å; I139-V225 HydrophobicContact CG2-CG1 3.81Å; I139-W229 HydrophobicContact CD1-CB 3.58Å; I139-W229 HydrophobicContact CD1-CD2 4.3Å; I139-W229 HydrophobicContact CD1-CG 3.57Å
140C87.5Confident84.6Confident1 Ų159 Ų591%0.00734%0.339CS..BIsolated β-bridgetrans-68.9158.1174.866.80000110.9F136 L142 C148 Y214F136-C140 HydrophobicContact CD1-CB 4.17Å; F136-C140 HydrophobicContact CD2-CB 4.16Å; F136-C140 HydrophobicContact CE1-CB 3.74Å; F136-C140 HydrophobicContact CE2-CB 3.72Å; F136-C140 HydrophobicContact CG-CB 4.37Å; F136-C140 HydrophobicContact CZ-CB 3.5Å; F136-C140 VanDerWaalsContact CZ-CB 3.5Å; F136-C140 VanDerWaalsContact O-CB 3.24Å; F136-C140 WeakPolarHBondContact O-CB 3.43Å; F136-C140 PolarHBondContact O-N 2.86Å; C140-L142 PolarHBondContact O-N 2.73Å; C140-C148 HydrophobicContact CB-CB 3.69Å; C140-C148 WeakPolarHBondContact CB-SG 3.16Å; C140-C148 WeakPolarHBondContact SG-CA 3.17Å; C140-C148 WeakPolarHBondContact SG-CB 3.5Å; C140-C148 CovalentContact SG-SG 2.03Å; C140-C148 PolarHBondContact SG-SG 3.46Å; C140-Y214 WeakPolarHBondContact CA-O 3.47Å
141I81.7Confident84.4Confident27 Ų2753.1 Ų53.114%0.13830%0.3CS..PPolyproline II helixtrans-68.7132165.8-56.1-173.8000108.6I149 Y214I141-I149 HydrophobicContact CB-CD1 4.45Å; I141-I149 HydrophobicContact CG2-CD1 3.8Å; I141-I149 WeakPolarHBondContact O-CB 3.47Å; I141-I149 PolarHBondContact O-N 3.32Å; I141-Y214 HydrophobicContact CD1-CG 4.44Å; I141-Y214 PolarHBondContact N-O 3.16Å
142L81Confident84.3Confident66 Ų6649.1 Ų49.135%0.34626%0.258SS..BIsolated β-bridgetrans-96.2138.8-177.1-60.3176.7000111.8K80 C140 T147K80-L142 WeakPolarHBondContact CG-O 3.34Å; C140-L142 PolarHBondContact O-N 2.73Å; L142-T147 CarbonylContact C-O 3.58Å; L142-T147 WeakPolarHBondContact CA-O 3.24Å
143N75Confident84.2Confident27 Ų2745.1 Ų45.114%0.14424%0.241CC..  trans-77.1178.2169.4-166.27.7000111.2K80 D145 K146 T147 I149K80-N143 PolarHBondContact O-OD1 2.72Å; N143-D145 PolarHBondContact O-N 2.83Å; N143-K146 PolarHBondContact O-N 3.38Å; N143-T147 PolarHBondContact N-O 2.89Å; N143-I149 HydrophobicContact CB-CD1 4.44Å; N143-I149 HydrophobicContact CB-CG1 3.93Å
144N69.9Low84.2Confident86 Ų8641.5 Ų41.546%0.4622%0.221SC..THydrogen-bonded Turntrans-53.8-37.2174.4-81.7-43000113.5K80 K146 E628K80-N144 HydrophobicContact CD-CB 4.42Å; K80-N144 WeakPolarHBondContact CD-OD1 3.37Å; K80-N144 PolarHBondContact NZ-OD1 2.94Å; N144-K146 PolarHBondContact O-N 2.77Å; N144-E628 PolarHBondContact ND2-OE1 3.4Å
145D73.7Confident84Confident125 Ų12542.6 Ų42.667%0.66823%0.228SC*.THydrogen-bonded Turntrans-80.611.3178.2-52.9-39.5000113.7N143 T147N143-D145 PolarHBondContact O-N 2.83Å; D145-T147 HydrophobicContact CB-CG2 4.38Å; D145-T147 PolarHBondContact O-N 2.87Å
146K78Confident83.9Confident177 Ų17741.2 Ų41.277%0.7722%0.219SC*.SBendtrans57.827.8-174.5-54.2-179.6179.7178.50113.7N143 N144N143-K146 PolarHBondContact O-N 3.38Å; N144-K146 PolarHBondContact O-N 2.77Å
147T82.5Confident84Confident67 Ų6741 Ų4141%0.41122%0.218SC..PPolyproline II helixtrans-102.1151.4174.253.50000110.5L142 N143 D145 I149L142-T147 CarbonylContact C-O 3.58Å; L142-T147 WeakPolarHBondContact CA-O 3.24Å; N143-T147 PolarHBondContact N-O 2.89Å; D145-T147 HydrophobicContact CB-CG2 4.38Å; D145-T147 PolarHBondContact O-N 2.87Å; T147-I149 PolarHBondContact O-N 2.8Å
148C85.7Confident84.1Confident30 Ų3041.9 Ų41.920%0.20321%0.212CC..BIsolated β-bridgetrans-62.4138.1177.9-66.60000112F136 C140 V150F136-C148 HydrophobicContact CE1-CB 3.83Å; F136-C148 HydrophobicContact CZ-CB 4.5Å; C140-C148 HydrophobicContact CB-CB 3.69Å; C140-C148 WeakPolarHBondContact CB-SG 3.16Å; C140-C148 WeakPolarHBondContact SG-CA 3.17Å; C140-C148 WeakPolarHBondContact SG-CB 3.5Å; C140-C148 CovalentContact SG-SG 2.03Å; C140-C148 PolarHBondContact SG-SG 3.46Å; C148-V150 HydrophobicContact CB-CG2 4.22Å; C148-V150 PolarHBondContact O-N 3.42Å
149I79.2Confident84.1Confident1 Ų138.3 Ų38.31%0.00520%0.196CC..PPolyproline II helixtrans-76.9118.4168-68.9178000108.2K80 R82 I141 N143 T147K80-I149 VanDerWaalsContact C-CD1 3.43Å; K80-I149 VanDerWaalsContact O-CD1 3.25Å; K80-I149 WeakPolarHBondContact O-CD1 3.31Å; R82-I149 HydrophobicContact CB-CG2 4.24Å; R82-I149 HydrophobicContact CG-CB 4.36Å; R82-I149 HydrophobicContact CG-CG1 4.24Å; R82-I149 HydrophobicContact CG-CG2 3.75Å; I141-I149 HydrophobicContact CB-CD1 4.45Å; I141-I149 HydrophobicContact CG2-CD1 3.8Å; I141-I149 WeakPolarHBondContact O-CB 3.47Å; I141-I149 PolarHBondContact O-N 3.32Å; N143-I149 HydrophobicContact CB-CD1 4.44Å; N143-I149 HydrophobicContact CB-CG1 3.93Å; T147-I149 PolarHBondContact O-N 2.8Å
150V81.8Confident84.3Confident18 Ų1839.2 Ų39.211%0.10920%0.201CC..BIsolated β-bridgetrans-130.7152.6-177.9178.20000108.3Y84 H119 F136 C148 D152 V154Y84-V150 PolarHBondContact OH-O 3Å; H119-V150 VanDerWaalsContact CE1-CG1 3.44Å; H119-V150 WeakPolarHBondContact CE1-CG1 3.4Å; F136-V150 HydrophobicContact CE1-CG2 4.15Å; C148-V150 HydrophobicContact CB-CG2 4.22Å; C148-V150 PolarHBondContact O-N 3.42Å; V150-D152 PolarHBondContact O-N 3.22Å; V150-V154 HydrophobicContact CG1-CB 4.15Å; V150-V154 HydrophobicContact CG1-CG2 3.81Å
151D82.3Confident84.5Confident2 Ų243.5 Ų43.51%0.01122%0.219CC..  trans-52.1122.7177.3-139.9-30.7000114.5Y84 I153 V154 Q191 T212Y84-D151 HydrophobicContact CD1-CB 4.17Å; Y84-D151 VanDerWaalsContact CD1-OD1 3.25Å; Y84-D151 WeakPolarHBondContact CD1-OD1 3.42Å; Y84-D151 HydrophobicContact CE1-CB 3.71Å; Y84-D151 WeakPolarHBondContact CE1-OD1 3.42Å; Y84-D151 WeakPolarHBondContact CE2-OD1 3.14Å; Y84-D151 VanDerWaalsContact CZ-CA 3.42Å; Y84-D151 VanDerWaalsContact OH-CA 3.31Å; Y84-D151 WeakPolarHBondContact OH-CA 3.46Å; D151-I153 HydrophobicContact CB-CG2 3.77Å; D151-I153 PolarHBondContact O-N 2.83Å; D151-I153 VanDerWaalsContact O-N 3.14Å; D151-V154 HydrophobicContact CB-CG2 4.43Å; D151-V154 WeakPolarHBondContact O-CA 3.43Å; D151-V154 WeakPolarHBondContact O-CB 3.27Å; D151-V154 WeakPolarHBondContact O-CG2 3.22Å; D151-V154 PolarHBondContact O-N 3.1Å; D151-Q191 VanDerWaalsContact OD1-CG 3.24Å; D151-Q191 WeakPolarHBondContact OD1-CG 3.43Å; D151-Q191 PolarHBondContact OD1-NE2 3.43Å; D151-Q191 VanDerWaalsContact OD1-NE2 3.13Å; D151-T212 PolarHBondContact OD2-N 2.88Å
152D84.2Confident84.8Confident6 Ų646.3 Ų46.33%0.03223%0.234CC..Hα-helixtrans-66-20.9-175.1-77.2-65.9000109.3R82 Y84 V150 V154 H155 V156 R184 V186R82-D152 IonicContact NH1-OD1 3.55Å; Y84-D152 HydrophobicContact CE2-CB 4.1Å; Y84-D152 WeakPolarHBondContact CE2-OD2 3.4Å; Y84-D152 PolarHBondContact OH-N 2.86Å; Y84-D152 PolarHBondContact OH-OD2 2.94Å; V150-D152 PolarHBondContact O-N 3.22Å; D152-V154 PolarHBondContact O-N 3.49Å; D152-H155 WeakPolarHBondContact O-CB 3.43Å; D152-H155 PolarHBondContact O-N 2.95Å; D152-H155 IonicContact OD1-CD2 2.75Å; D152-V156 WeakPolarHBondContact O-CG2 3.47Å; D152-V156 PolarHBondContact O-N 3.19Å; D152-R184 IonicContact OD1-NH1 2.81Å; D152-V186 HydrophobicContact CB-CG1 3.63Å; D152-V186 HydrophobicContact CB-CG2 4.34Å
153I89.5Confident85.2Confident4 Ų443.5 Ų43.52%0.02122%0.221CC..Hα-helixtrans-57.6-31.4167.8-168.961.4000112D151 V156 L157 Q191 L192 I209 L211D151-I153 HydrophobicContact CB-CG2 3.77Å; D151-I153 PolarHBondContact O-N 2.83Å; D151-I153 VanDerWaalsContact O-N 3.14Å; I153-V156 HydrophobicContact CD1-CB 4.24Å; I153-V156 HydrophobicContact CD1-CG1 4.28Å; I153-V156 PolarHBondContact O-N 2.87Å; I153-L157 HydrophobicContact CG1-CD1 4.39Å; I153-L157 HydrophobicContact CG1-CG 4.42Å; I153-L157 WeakPolarHBondContact O-CB 3.27Å; I153-L157 WeakPolarHBondContact O-CG 3.45Å; I153-L157 PolarHBondContact O-N 3.29Å; I153-Q191 HydrophobicContact CB-CB 3.86Å; I153-Q191 HydrophobicContact CB-CG 4.02Å; I153-Q191 HydrophobicContact CG1-CB 4.08Å; I153-Q191 HydrophobicContact CG2-CB 4.07Å; I153-Q191 HydrophobicContact CG2-CG 3.97Å; I153-L192 HydrophobicContact CD1-CD2 3.74Å; I153-L192 HydrophobicContact CD1-CG 4.14Å; I153-L192 HydrophobicContact CG1-CD2 4.49Å; I153-I209 HydrophobicContact CG1-CG2 4.27Å; I153-L211 HydrophobicContact CG2-CD2 3.58Å
154V91.3Very high85.8Confident4 Ų446.2 Ų46.22%0.02423%0.229CC..Hα-helixtrans-62.2-46.2173.2-179.30000110.1L116 V150 D151 D152 V156 L157 E158 L211L116-V154 HydrophobicContact CD2-CG1 4.06Å; V150-V154 HydrophobicContact CG1-CB 4.15Å; V150-V154 HydrophobicContact CG1-CG2 3.81Å; D151-V154 HydrophobicContact CB-CG2 4.43Å; D151-V154 WeakPolarHBondContact O-CA 3.43Å; D151-V154 WeakPolarHBondContact O-CB 3.27Å; D151-V154 WeakPolarHBondContact O-CG2 3.22Å; D151-V154 PolarHBondContact O-N 3.1Å; D152-V154 PolarHBondContact O-N 3.49Å; V154-V156 VanDerWaalsContact C-N 3.34Å; V154-V156 PolarHBondContact O-N 3.06Å; V154-L157 PolarHBondContact O-N 3.44Å; V154-E158 WeakPolarHBondContact O-CG 3.49Å; V154-E158 PolarHBondContact O-N 3.13Å; V154-L211 HydrophobicContact CG2-CD2 3.87Å
155H89.1Confident86.6Confident64 Ų6446.1 Ų46.130%0.29624%0.24SC..Hα-helixtrans-63.7-38.8175.9-65.3-45.4000112.5D152 L157 E158 E159D152-H155 WeakPolarHBondContact O-CB 3.43Å; D152-H155 PolarHBondContact O-N 2.95Å; D152-H155 IonicContact OD1-CD2 2.75Å; H155-L157 VanDerWaalsContact C-N 3.33Å; H155-L157 PolarHBondContact O-N 2.81Å; H155-E158 IonicContact ND1-OE2 3.87Å; H155-E158 PolarHBondContact ND1-OE2 3.36Å; H155-E158 PolarHBondContact O-N 3.34Å; H155-E159 WeakPolarHBondContact O-CB 3.39Å; H155-E159 PolarHBondContact O-N 2.87Å
156V90.9Very high87.2Confident2 Ų245 Ų451%0.01224%0.238CC..Hα-helixtrans-62.1-40.9174172.50000111.1D152 I153 V154 E159 L160 F171 I173 T178 L180D152-V156 WeakPolarHBondContact O-CG2 3.47Å; D152-V156 PolarHBondContact O-N 3.19Å; I153-V156 HydrophobicContact CD1-CB 4.24Å; I153-V156 HydrophobicContact CD1-CG1 4.28Å; I153-V156 PolarHBondContact O-N 2.87Å; V154-V156 VanDerWaalsContact C-N 3.34Å; V154-V156 PolarHBondContact O-N 3.06Å; V156-E159 PolarHBondContact O-N 2.62Å; V156-L160 VanDerWaalsContact O-CB 3.32Å; V156-L160 WeakPolarHBondContact O-CB 3.5Å; V156-L160 PolarHBondContact O-N 3.25Å; V156-F171 HydrophobicContact CG1-CZ 4.26Å; V156-I173 HydrophobicContact CG1-CD1 3.65Å; V156-I173 HydrophobicContact CG1-CG1 3.86Å; V156-I173 HydrophobicContact CG1-CG2 4.43Å; V156-T178 HydrophobicContact CG2-CG2 4.06Å; V156-L180 HydrophobicContact CG2-CD2 3.66Å
157L93.2Very high87.2Confident0 Ų043.6 Ų43.60%024%0.239CC..Hα-helixtrans-70.2-40.5178.5-71.2174.1000112.4L107 T112 I115 L116 I153 V154 H155 E159 L160 K161 I209L107-L157 HydrophobicContact CD2-CD2 3.88Å; T112-L157 HydrophobicContact CG2-CB 4.02Å; T112-L157 HydrophobicContact CG2-CD2 3.95Å; I115-L157 HydrophobicContact CB-CD1 4.31Å; I115-L157 HydrophobicContact CG2-CD1 3.65Å; L116-L157 HydrophobicContact CD2-CB 4.06Å; L116-L157 HydrophobicContact CG-CB 4.38Å; I153-L157 HydrophobicContact CG1-CD1 4.39Å; I153-L157 HydrophobicContact CG1-CG 4.42Å; I153-L157 WeakPolarHBondContact O-CB 3.27Å; I153-L157 WeakPolarHBondContact O-CG 3.45Å; I153-L157 PolarHBondContact O-N 3.29Å; V154-L157 PolarHBondContact O-N 3.44Å; H155-L157 VanDerWaalsContact C-N 3.33Å; H155-L157 PolarHBondContact O-N 2.81Å; L157-E159 VanDerWaalsContact C-N 3.32Å; L157-L160 PolarHBondContact O-N 2.85Å; L157-K161 WeakPolarHBondContact O-CB 3.33Å; L157-K161 PolarHBondContact O-N 2.89Å; L157-I209 HydrophobicContact CD1-CD1 4.38Å; L157-I209 HydrophobicContact CD2-CD1 4.12Å
158E92.3Very high87Confident78 Ų7847.4 Ų47.436%0.36425%0.246SC..Hα-helixtrans-60.7-43.1171.9-71.9174.4159.700111.1L116 V154 H155 K161 N162L116-E158 HydrophobicContact CD1-CG 4.29Å; L116-E158 HydrophobicContact CD2-CG 3.72Å; V154-E158 WeakPolarHBondContact O-CG 3.49Å; V154-E158 PolarHBondContact O-N 3.13Å; H155-E158 IonicContact ND1-OE2 3.87Å; H155-E158 PolarHBondContact ND1-OE2 3.36Å; H155-E158 PolarHBondContact O-N 3.34Å; E158-K161 PolarHBondContact O-N 2.84Å; E158-N162 WeakPolarHBondContact O-CB 3.35Å; E158-N162 PolarHBondContact O-N 3.23Å; E158-N162 PolarHBondContact O-ND2 2.85Å; E158-N162 VanDerWaalsContact O-ND2 3.16Å
159E89.7Confident86.2Confident19 Ų1951.7 Ų51.79%0.08927%0.271CS..Hα-helixtrans-65.1-43.8175.9-175.4173177.900112.1H155 V156 L157 K161 N162 A163 F171 K181H155-E159 WeakPolarHBondContact O-CB 3.39Å; H155-E159 PolarHBondContact O-N 2.87Å; V156-E159 PolarHBondContact O-N 2.62Å; L157-E159 VanDerWaalsContact C-N 3.32Å; E159-K161 VanDerWaalsContact C-N 3.29Å; E159-K161 PolarHBondContact O-N 2.87Å; E159-N162 PolarHBondContact O-N 2.91Å; E159-A163 WeakPolarHBondContact O-CB 3.5Å; E159-A163 PolarHBondContact O-N 3.25Å; E159-F171 HydrophobicContact CB-CE2 4.3Å; E159-F171 HydrophobicContact CB-CZ 4.08Å; E159-F171 HydrophobicContact CG-CD2 3.91Å; E159-F171 HydrophobicContact CG-CE1 4.36Å; E159-F171 HydrophobicContact CG-CE2 3.6Å; E159-F171 HydrophobicContact CG-CG 4.42Å; E159-F171 HydrophobicContact CG-CZ 3.83Å; E159-F171 WeakPolarHBondContact OE1-CD2 3.31Å; E159-F171 WeakPolarHBondContact OE1-CE2 3.14Å; E159-F171 WeakPolarHBondContact OE2-CE2 3.45Å; E159-K181 VanDerWaalsContact CD-CE 3.4Å; E159-K181 VanDerWaalsContact CD-CG 3.48Å; E159-K181 HydrophobicContact CG-CD 4.21Å; E159-K181 WeakPolarHBondContact OE1-CE 3.22Å; E159-K181 WeakPolarHBondContact OE1-CG 3.26Å; E159-K181 WeakPolarHBondContact OE2-CG 3.46Å
160L90.8Very high85.9Confident20 Ų2058 Ų5811%0.10531%0.305CS..Hα-helixtrans-58.6-43176.2-176.362.6000111.3L107 V156 L157 A163 R164 F171 I173L107-L160 HydrophobicContact CB-CD2 4.28Å; L107-L160 HydrophobicContact CD2-CD2 4.41Å; L107-L160 WeakPolarHBondContact O-CD2 3.43Å; V156-L160 VanDerWaalsContact O-CB 3.32Å; V156-L160 WeakPolarHBondContact O-CB 3.5Å; V156-L160 PolarHBondContact O-N 3.25Å; L157-L160 PolarHBondContact O-N 2.85Å; L160-A163 PolarHBondContact O-N 2.86Å; L160-R164 WeakPolarHBondContact O-CG 3.38Å; L160-R164 PolarHBondContact O-N 2.85Å; L160-R164 VanDerWaalsContact O-N 3.1Å; L160-F171 HydrophobicContact CB-CD1 4.4Å; L160-F171 HydrophobicContact CB-CE1 3.89Å; L160-F171 HydrophobicContact CD1-CD1 3.85Å; L160-F171 HydrophobicContact CD1-CE1 3.94Å; L160-I173 HydrophobicContact CD1-CD1 4.49Å; L160-I173 HydrophobicContact CD2-CD1 4.18Å
161K91.6Very high85.9Confident91 Ų9158.8 Ų58.840%0.39631%0.307SS..Hα-helixtrans-62.2-46.6174.7177.7176.5178.7156.20111.8T112 D113 L116 L157 E158 E159 R164 A165T112-K161 HydrophobicContact CG2-CB 4.47Å; D113-K161 VanDerWaalsContact OD1-CD 3.29Å; D113-K161 WeakPolarHBondContact OD1-CD 3.45Å; D113-K161 WeakPolarHBondContact OD1-CE 3.49Å; D113-K161 IonicContact OD1-NZ 3.38Å; D113-K161 PolarHBondContact OD1-NZ 3.29Å; L116-K161 HydrophobicContact CD1-CB 4.42Å; L116-K161 HydrophobicContact CD1-CD 3.87Å; L157-K161 WeakPolarHBondContact O-CB 3.33Å; L157-K161 PolarHBondContact O-N 2.89Å; E158-K161 PolarHBondContact O-N 2.84Å; E159-K161 VanDerWaalsContact C-N 3.29Å; E159-K161 PolarHBondContact O-N 2.87Å; K161-R164 WeakPolarHBondContact O-CB 3.49Å; K161-R164 PolarHBondContact O-N 2.76Å; K161-A165 PolarHBondContact O-N 3.31Å
162N89.9Confident86Confident85 Ų8560.4 Ų60.446%0.45532%0.321SS..Hα-helixtrans-66.7-37.5179.5-70.4-26.1000112.3E158 E159 R164 A165 T166E158-N162 WeakPolarHBondContact O-CB 3.35Å; E158-N162 PolarHBondContact O-N 3.23Å; E158-N162 PolarHBondContact O-ND2 2.85Å; E158-N162 VanDerWaalsContact O-ND2 3.16Å; E159-N162 PolarHBondContact O-N 2.91Å; N162-R164 VanDerWaalsContact C-N 3.34Å; N162-A165 PolarHBondContact O-N 2.77Å; N162-T166 PolarHBondContact O-N 2.71Å; N162-T166 PolarHBondContact O-OG1 3.46Å
163A88.1Confident86.2Confident8 Ų860.7 Ų60.77%0.06632%0.322CS..Hα-helixtrans-63.8-39.3175.500000111.5E159 L160 T166 N167 R168 F171E159-A163 WeakPolarHBondContact O-CB 3.5Å; E159-A163 PolarHBondContact O-N 3.25Å; L160-A163 PolarHBondContact O-N 2.86Å; A163-T166 PolarHBondContact O-N 2.89Å; A163-T166 PolarHBondContact O-OG1 2.97Å; A163-N167 PolarHBondContact O-N 3.07Å; A163-N167 VanDerWaalsContact O-N 3.09Å; A163-R168 HydrophobicContact CB-CB 4.3Å; A163-R168 PolarHBondContact O-N 2.98Å; A163-F171 HydrophobicContact CB-CB 3.86Å; A163-F171 HydrophobicContact CB-CD1 4.36Å; A163-F171 HydrophobicContact CB-CG 4.29Å
164R87.6Confident86.4Confident84 Ų8462.1 Ų62.132%0.31733%0.331SS..Hα-helixtrans-64.6-46.4172.6-73169.8174.2152.32112.3L107 D108 T112 L160 K161 N162 T166 N167L107-R164 VanDerWaalsContact O-CZ 3.24Å; L107-R164 PolarHBondContact O-NH1 2.81Å; L107-R164 PolarHBondContact O-NH2 2.73Å; D108-R164 VanDerWaalsContact C-NH1 3.26Å; D108-R164 PolarHBondContact O-NH1 3.14Å; T112-R164 PolarHBondContact OG1-NH1 3.45Å; L160-R164 WeakPolarHBondContact O-CG 3.38Å; L160-R164 PolarHBondContact O-N 2.85Å; L160-R164 VanDerWaalsContact O-N 3.1Å; K161-R164 WeakPolarHBondContact O-CB 3.49Å; K161-R164 PolarHBondContact O-N 2.76Å; N162-R164 VanDerWaalsContact C-N 3.34Å; R164-T166 PolarHBondContact O-N 2.87Å; R164-N167 PolarHBondContact O-N 3.15Å
165A86.6Confident86.4Confident84 Ų8462.7 Ų62.769%0.69433%0.333SS*.Hα-helixtrans-62.1-29.1178.500000113K161 N162K161-A165 PolarHBondContact O-N 3.31Å; N162-A165 PolarHBondContact O-N 2.77Å
166T86.1Confident86.5Confident102 Ų10260.5 Ų60.563%0.62632%0.324SS*.THydrogen-bonded Turntrans-99.36.5179.353.30000114N162 A163 R164 R168N162-T166 PolarHBondContact O-N 2.71Å; N162-T166 PolarHBondContact O-OG1 3.46Å; A163-T166 PolarHBondContact O-N 2.89Å; A163-T166 PolarHBondContact O-OG1 2.97Å; R164-T166 PolarHBondContact O-N 2.87Å; T166-R168 PolarHBondContact O-N 3.22Å
167N79.8Confident86.4Confident146 Ų14662.8 Ų62.878%0.78134%0.336SS*.THydrogen-bonded Turntrans50.931.8-173.7-76.6-27.2000114.5A163 R164 T169A163-N167 PolarHBondContact O-N 3.07Å; A163-N167 VanDerWaalsContact O-N 3.09Å; R164-N167 PolarHBondContact O-N 3.15Å; N167-T169 PolarHBondContact O-N 3.12Å
168R76.5Confident86.3Confident147 Ų14762.9 Ų62.956%0.55534%0.336SS*.  trans-80.4102.6177.1-172.6176.7177.8169.2-2.6110.4A163 T166 N170A163-R168 HydrophobicContact CB-CB 4.3Å; A163-R168 PolarHBondContact O-N 2.98Å; T166-R168 PolarHBondContact O-N 3.22Å; R168-N170 VanDerWaalsContact C-N 3.31Å; R168-N170 PolarHBondContact O-N 3.41Å
169T70.2Confident86.1Confident120 Ų12064.8 Ų64.874%0.73635%0.345SS*.THydrogen-bonded Turntrans-75.8-15.2-179.752.90000114.5N167 F171N167-T169 PolarHBondContact O-N 3.12Å; T169-F171 VanDerWaalsContact C-N 3.33Å; T169-F171 PolarHBondContact O-N 2.82Å
170N72.1Confident85.9Confident135 Ų13564.7 Ų64.772%0.72235%0.345SS*.THydrogen-bonded Turntrans-80.3-8-174.4-67.5-6000114.4R168 A172R168-N170 VanDerWaalsContact C-N 3.31Å; R168-N170 PolarHBondContact O-N 3.41Å; N170-A172 PolarHBondContact O-N 2.88Å
171F81.7Confident85.4Confident34 Ų3470.1 Ų70.115%0.14937%0.368CS..  trans-77.4116.1177.3-177.3-108.9000110.2V156 E159 L160 A163 T169 I173V156-F171 HydrophobicContact CG1-CZ 4.26Å; E159-F171 HydrophobicContact CB-CE2 4.3Å; E159-F171 HydrophobicContact CB-CZ 4.08Å; E159-F171 HydrophobicContact CG-CD2 3.91Å; E159-F171 HydrophobicContact CG-CE1 4.36Å; E159-F171 HydrophobicContact CG-CE2 3.6Å; E159-F171 HydrophobicContact CG-CG 4.42Å; E159-F171 HydrophobicContact CG-CZ 3.83Å; E159-F171 WeakPolarHBondContact OE1-CD2 3.31Å; E159-F171 WeakPolarHBondContact OE1-CE2 3.14Å; E159-F171 WeakPolarHBondContact OE2-CE2 3.45Å; L160-F171 HydrophobicContact CB-CD1 4.4Å; L160-F171 HydrophobicContact CB-CE1 3.89Å; L160-F171 HydrophobicContact CD1-CD1 3.85Å; L160-F171 HydrophobicContact CD1-CE1 3.94Å; A163-F171 HydrophobicContact CB-CB 3.86Å; A163-F171 HydrophobicContact CB-CD1 4.36Å; A163-F171 HydrophobicContact CB-CG 4.29Å; T169-F171 VanDerWaalsContact C-N 3.33Å; T169-F171 PolarHBondContact O-N 2.82Å; F171-I173 HydrophobicContact CE1-CD1 4.18Å; F171-I173 HydrophobicContact CE1-CG1 3.72Å; F171-I173 HydrophobicContact CZ-CG1 4.02Å
172A83.9Confident84.8Confident36 Ų3669.1 Ų69.130%0.29837%0.367SS..  trans-129.3122.2-179.100000109.9N170N170-A172 PolarHBondContact O-N 2.88Å
173I90.3Very high84.5Confident12 Ų1266.5 Ų66.56%0.06236%0.36CS..  trans-80.5128.2172.9-55.6170.8000107.7L107 V156 L160 F171 L192 V203L107-I173 HydrophobicContact CD1-CD1 4.29Å; L107-I173 HydrophobicContact CD2-CD1 4.22Å; V156-I173 HydrophobicContact CG1-CD1 3.65Å; V156-I173 HydrophobicContact CG1-CG1 3.86Å; V156-I173 HydrophobicContact CG1-CG2 4.43Å; L160-I173 HydrophobicContact CD1-CD1 4.49Å; L160-I173 HydrophobicContact CD2-CD1 4.18Å; F171-I173 HydrophobicContact CE1-CD1 4.18Å; F171-I173 HydrophobicContact CE1-CG1 3.72Å; F171-I173 HydrophobicContact CZ-CG1 4.02Å; I173-L192 HydrophobicContact CG2-CD1 4.21Å; I173-V203 HydrophobicContact CB-CB 4.36Å; I173-V203 HydrophobicContact CB-CG2 4.35Å; I173-V203 HydrophobicContact CG2-CB 4.42Å; I173-V203 HydrophobicContact CG2-CG2 3.94Å; I173-V203 PolarHBondContact O-N 2.87Å
174T92.7Very high84.3Confident33 Ų3367.9 Ų67.920%0.20236%0.364CS..BIsolated β-bridgetrans-106.7160.1173.849.90000111.4I177 T178 N188 D201 R202T174-I177 CarbonylContact C-O 3.57Å; T174-I177 WeakPolarHBondContact CB-O 3.45Å; T174-I177 PolarHBondContact OG1-O 2.78Å; T174-T178 WeakPolarHBondContact OG1-CA 3.29Å; T174-N188 PolarHBondContact O-ND2 3.43Å; T174-D201 CarbonylContact C-O 3.6Å; T174-D201 WeakPolarHBondContact CA-O 3.07Å; T174-R202 HydrophobicContact CG2-CG 4.34Å
175Y91.8Very high84.3Confident17 Ų1766 Ų667%0.06737%0.366CS..SBendtrans-138.7134.8-175.3-178.4-99.8000111.1N188 L192 V195 V197 D201 Y552Y175-N188 WeakPolarHBondContact CD2-OD1 3.18Å; Y175-L192 HydrophobicContact CD2-CB 4.45Å; Y175-L192 HydrophobicContact CE2-CB 4.27Å; Y175-V195 HydrophobicContact CD1-CB 4.43Å; Y175-V195 HydrophobicContact CD1-CG1 4.18Å; Y175-V195 HydrophobicContact CD2-CB 4.38Å; Y175-V195 HydrophobicContact CD2-CG1 4.15Å; Y175-V195 HydrophobicContact CD2-CG2 4.01Å; Y175-V195 HydrophobicContact CE1-CB 4.24Å; Y175-V195 HydrophobicContact CE1-CG1 4.49Å; Y175-V195 HydrophobicContact CE2-CB 4.18Å; Y175-V195 HydrophobicContact CE2-CG1 4.45Å; Y175-V195 HydrophobicContact CE2-CG2 3.63Å; Y175-V195 HydrophobicContact CG-CB 4.49Å; Y175-V195 HydrophobicContact CG-CG1 3.99Å; Y175-V197 HydrophobicContact CD1-CG2 4.01Å; Y175-D201 PolarHBondContact N-O 2.76Å; Y175-D201 WeakPolarHBondContact O-CB 3.22Å; Y175-Y552 AromaticContact CE1-CE2 3.52Å; Y175-Y552 HydrophobicContact CE1-CE2 3.52Å; Y175-Y552 HydrophobicContact CE2-CE2 4.44Å; Y175-Y552 AromaticContact CZ-CE2 3.48Å; Y175-Y552 VanDerWaalsContact CZ-CE2 3.48Å; Y175-Y552 WeakPolarHBondContact OH-CD2 3.34Å; Y175-Y552 WeakPolarHBondContact OH-CE2 3.25Å
176P90.2Very high84.2Confident18 Ų1862.6 Ų62.612%0.11734%0.336CS..SBendcis-91.33.17.237.8-38.2000114.4Y187 N188 Y552 V583P176-Y187 HydrophobicContact CB-CD2 4.13Å; P176-Y187 HydrophobicContact CB-CE2 3.7Å; P176-Y187 HydrophobicContact CG-CE2 4.27Å; P176-Y187 CarbonylContact O-C 3.21Å; P176-Y187 WeakPolarHBondContact O-CA 3.46Å; P176-Y187 WeakPolarHBondContact O-CD2 3.4Å; P176-N188 WeakPolarHBondContact CA-OD1 3.45Å; P176-N188 PolarHBondContact O-N 2.84Å; P176-N188 PolarHBondContact O-OD1 3.33Å; P176-Y552 HydrophobicContact CB-CE1 4.44Å; P176-Y552 HydrophobicContact CB-CE2 3.82Å; P176-Y552 HydrophobicContact CG-CE1 4.29Å; P176-Y552 HydrophobicContact CG-CE2 4.42Å; P176-Y552 WeakPolarHBondContact CG-OH 3.25Å; P176-V583 HydrophobicContact CG-CG1 3.98Å; P176-V583 HydrophobicContact CG-CG2 4Å
177I89.7Confident84.2Confident50 Ų5058.2 Ų58.226%0.25631%0.308SS..EExtended strand (participates in β ladder)trans-118.6129.9176.2-61.5175.5000108.2T174 A185 V186 Y187 V583T174-I177 CarbonylContact C-O 3.57Å; T174-I177 WeakPolarHBondContact CB-O 3.45Å; T174-I177 PolarHBondContact OG1-O 2.78Å; I177-A185 HydrophobicContact CG2-CB 3.9Å; I177-V186 CarbonylContact C-O 3.52Å; I177-V186 WeakPolarHBondContact CA-O 3.43Å; I177-Y187 HydrophobicContact CG1-CD2 4.41Å; I177-V583 HydrophobicContact CD1-CG1 3.75Å; I177-V583 HydrophobicContact CG1-CG1 4.06Å
178T90.6Very high84.6Confident1 Ų151.4 Ų51.41%0.00627%0.272CS..EExtended strand (participates in β ladder)trans-117.7150174.7-165.50000111.1V156 T174 V186 N188V156-T178 HydrophobicContact CG2-CG2 4.06Å; T174-T178 WeakPolarHBondContact OG1-CA 3.29Å; T178-V186 HydrophobicContact CG2-CB 4.46Å; T178-V186 PolarHBondContact N-O 3.09Å; T178-V186 PolarHBondContact O-N 2.66Å; T178-N188 HydrophobicContact CG2-CB 4.5Å
179H88.2Confident85.1Confident119 Ų11944.5 Ų44.555%0.55125%0.246SC*.EExtended strand (participates in β ladder)trans-100.3128.8175.2-68.1-80.6000110.6R184H179-R184 WeakPolarHBondContact CA-O 3.28Å
180L85.3Confident85.9Confident16 Ų1640.4 Ų40.48%0.08422%0.219CC..  trans-81.2167.2173.6-64.5179.3000111.2V156 D182 G183 R184 V186V156-L180 HydrophobicContact CG2-CD2 3.66Å; L180-D182 VanDerWaalsContact CB-OD1 3.29Å; L180-D182 WeakPolarHBondContact CB-OD1 3.36Å; L180-D182 PolarHBondContact O-N 3.04Å; L180-G183 WeakPolarHBondContact O-CA 3.32Å; L180-G183 PolarHBondContact O-N 3.44Å; L180-R184 HydrophobicContact CD1-CB 4.43Å; L180-R184 VanDerWaalsContact CD1-NH2 3.31Å; L180-R184 PolarHBondContact N-O 3.32Å; L180-V186 HydrophobicContact CD1-CG2 3.67Å; L180-V186 HydrophobicContact CG-CG2 3.95Å
181K80.6Confident86.7Confident134 Ų13434.1 Ų34.158%0.58319%0.185SC*.THydrogen-bonded Turntrans-53.7-33.3175-81.2172.3171.7167.10114.9E159 G183E159-K181 VanDerWaalsContact CD-CE 3.4Å; E159-K181 VanDerWaalsContact CD-CG 3.48Å; E159-K181 HydrophobicContact CG-CD 4.21Å; E159-K181 WeakPolarHBondContact OE1-CE 3.22Å; E159-K181 WeakPolarHBondContact OE1-CG 3.26Å; E159-K181 WeakPolarHBondContact OE2-CG 3.46Å; K181-G183 PolarHBondContact O-N 2.77Å
182D79.4Confident87.3Confident70 Ų7032.5 Ų32.537%0.37418%0.178SC..THydrogen-bonded Turntrans-79.30.9178.960.214000113L180 R184L180-D182 VanDerWaalsContact CB-OD1 3.29Å; L180-D182 WeakPolarHBondContact CB-OD1 3.36Å; L180-D182 PolarHBondContact O-N 3.04Å; D182-R184 VanDerWaalsContact C-N 3.32Å; D182-R184 VanDerWaalsContact OD1-CB 3.27Å; D182-R184 WeakPolarHBondContact OD1-CB 3.42Å; D182-R184 WeakPolarHBondContact OD1-CG 3.13Å; D182-R184 PolarHBondContact OD1-N 3.43Å; D182-R184 IonicContact OD1-NE 2.71Å; D182-R184 IonicContact OD2-CZ 2.79Å; D182-R184 IonicContact OD2-NE 3.54Å; D182-R184 PolarHBondContact OD2-NE 3.02Å; D182-R184 IonicContact OD2-NH2 3.2Å; D182-R184 PolarHBondContact OD2-NH2 3.3Å
183G83Confident87.7Confident31 Ų3130.8 Ų30.832%0.3216%0.164SC..SBendtrans86-6-179.200000114.4L180 K181 A185L180-G183 WeakPolarHBondContact O-CA 3.32Å; L180-G183 PolarHBondContact O-N 3.44Å; K181-G183 PolarHBondContact O-N 2.77Å; G183-A185 PolarHBondContact O-N 3.02Å
184R85.3Confident87.7Confident37 Ų3731.2 Ų31.214%0.1417%0.171CC..  trans-63.9134.9178.5-70.4-171.7-69.9126.47.5110.6D152 H179 L180 D182D152-R184 IonicContact OD1-NH1 2.81Å; H179-R184 WeakPolarHBondContact CA-O 3.28Å; L180-R184 HydrophobicContact CD1-CB 4.43Å; L180-R184 VanDerWaalsContact CD1-NH2 3.31Å; L180-R184 PolarHBondContact N-O 3.32Å; D182-R184 VanDerWaalsContact C-N 3.32Å; D182-R184 VanDerWaalsContact OD1-CB 3.27Å; D182-R184 WeakPolarHBondContact OD1-CB 3.42Å; D182-R184 WeakPolarHBondContact OD1-CG 3.13Å; D182-R184 PolarHBondContact OD1-N 3.43Å; D182-R184 IonicContact OD1-NE 2.71Å; D182-R184 IonicContact OD2-CZ 2.79Å; D182-R184 IonicContact OD2-NE 3.54Å; D182-R184 PolarHBondContact OD2-NE 3.02Å; D182-R184 IonicContact OD2-NH2 3.2Å; D182-R184 PolarHBondContact OD2-NH2 3.3Å
185A86.2Confident87.7Confident43 Ų4330.5 Ų30.536%0.35517%0.166SC..EExtended strand (participates in β ladder)trans-87.6126.617100000109.2I177 G183I177-A185 HydrophobicContact CG2-CB 3.9Å; G183-A185 PolarHBondContact O-N 3.02Å
186V84.5Confident87.7Confident13 Ų1332.4 Ų32.48%0.07918%0.18CC..EExtended strand (participates in β ladder)trans-126.9131.7-176.6177.50000109.6D152 I177 T178 L180D152-V186 HydrophobicContact CB-CG1 3.63Å; D152-V186 HydrophobicContact CB-CG2 4.34Å; I177-V186 CarbonylContact C-O 3.52Å; I177-V186 WeakPolarHBondContact CA-O 3.43Å; T178-V186 HydrophobicContact CG2-CB 4.46Å; T178-V186 PolarHBondContact N-O 3.09Å; T178-V186 PolarHBondContact O-N 2.66Å; L180-V186 HydrophobicContact CD1-CG2 3.67Å; L180-V186 HydrophobicContact CG-CG2 3.95Å
187Y86.8Confident87.6Confident10 Ų1034.6 Ų34.64%0.03919%0.193CC..EExtended strand (participates in β ladder)trans-77.2122172.9179.4-92.6000110.6P176 I177 G189 H190 Q191 Y552 V555 V583 I585 V650P176-Y187 HydrophobicContact CB-CD2 4.13Å; P176-Y187 HydrophobicContact CB-CE2 3.7Å; P176-Y187 HydrophobicContact CG-CE2 4.27Å; P176-Y187 CarbonylContact O-C 3.21Å; P176-Y187 WeakPolarHBondContact O-CA 3.46Å; P176-Y187 WeakPolarHBondContact O-CD2 3.4Å; I177-Y187 HydrophobicContact CG1-CD2 4.41Å; Y187-G189 VanDerWaalsContact CE1-CA 3.49Å; Y187-G189 VanDerWaalsContact CE1-N 3.35Å; Y187-G189 VanDerWaalsContact CZ-CA 3.44Å; Y187-G189 WeakPolarHBondContact OH-CA 3.47Å; Y187-H190 HydrophobicContact CE1-CB 4.43Å; Y187-H190 AromaticContact CE1-CD2 3.45Å; Y187-H190 VanDerWaalsContact CE1-CD2 3.45Å; Y187-H190 WeakPolarHBondContact CE1-CD2 3.42Å; Y187-H190 AromaticContact CE1-CG 4Å; Y187-H190 AromaticContact CE1-NE2 4Å; Y187-Q191 PolarHBondContact O-NE2 2.86Å; Y187-Q191 PolarHBondContact O-OE1 3.48Å; Y187-Y552 WeakPolarHBondContact OH-CB 3.25Å; Y187-Y552 WeakPolarHBondContact OH-CD2 3.41Å; Y187-Y552 VanDerWaalsContact OH-CG 3.29Å; Y187-V555 HydrophobicContact CE1-CG2 4.37Å; Y187-V583 HydrophobicContact CD2-CG1 4.14Å; Y187-V583 HydrophobicContact CE2-CG1 4.19Å; Y187-I585 HydrophobicContact CD2-CD1 4.43Å; Y187-I585 HydrophobicContact CG-CD1 3.93Å; Y187-V650 HydrophobicContact CD2-CG2 4.35Å; Y187-V650 HydrophobicContact CE1-CG2 4.4Å; Y187-V650 HydrophobicContact CE2-CB 4.16Å; Y187-V650 HydrophobicContact CE2-CG1 4.27Å; Y187-V650 HydrophobicContact CE2-CG2 3.88Å; Y187-V650 WeakPolarHBondContact OH-CG1 3.42Å
188N87.9Confident87.4Confident4 Ų438.1 Ų38.12%0.02121%0.208CC..  trans-113.410.9-179.266.52.7000113.5T174 Y175 P176 T178 H190 Q191 L192T174-N188 PolarHBondContact O-ND2 3.43Å; Y175-N188 WeakPolarHBondContact CD2-OD1 3.18Å; P176-N188 WeakPolarHBondContact CA-OD1 3.45Å; P176-N188 PolarHBondContact O-N 2.84Å; P176-N188 PolarHBondContact O-OD1 3.33Å; T178-N188 HydrophobicContact CG2-CB 4.5Å; N188-H190 VanDerWaalsContact C-N 3.29Å; N188-H190 PolarHBondContact O-N 3.24Å; N188-Q191 PolarHBondContact O-N 3.02Å; N188-Q191 PolarHBondContact O-OE1 3.3Å; N188-L192 HydrophobicContact CB-CD1 4.45Å; N188-L192 HydrophobicContact CB-CG 4.49Å; N188-L192 PolarHBondContact O-N 3.33Å
189G87.4Confident87.1Confident1 Ų141.7 Ų41.71%0.0123%0.233CC..THydrogen-bonded Turntrans-71.2-15.7-175.300000115.8Y187Y187-G189 VanDerWaalsContact CE1-CA 3.49Å; Y187-G189 VanDerWaalsContact CE1-N 3.35Å; Y187-G189 VanDerWaalsContact CZ-CA 3.44Å; Y187-G189 WeakPolarHBondContact OH-CA 3.47Å
190H86.5Confident86.6Confident35 Ų3544.8 Ų44.816%0.16225%0.245CC..THydrogen-bonded Turntrans-107.31.4172.4-65.9-53000113.1Y187 N188 Q210 F549 S553 V555Y187-H190 HydrophobicContact CE1-CB 4.43Å; Y187-H190 AromaticContact CE1-CD2 3.45Å; Y187-H190 VanDerWaalsContact CE1-CD2 3.45Å; Y187-H190 WeakPolarHBondContact CE1-CD2 3.42Å; Y187-H190 AromaticContact CE1-CG 4Å; Y187-H190 AromaticContact CE1-NE2 4Å; N188-H190 VanDerWaalsContact C-N 3.29Å; N188-H190 PolarHBondContact O-N 3.24Å; H190-Q210 WeakPolarHBondContact O-CB 3.38Å; H190-Q210 PolarHBondContact O-NE2 2.82Å; H190-F549 WeakPolarHBondContact O-CE1 2.78Å; H190-S553 PolarHBondContact CE1-O 3.07Å; H190-S553 PolarHBondContact NE2-O 3.42Å; H190-S553 VanDerWaalsContact NE2-O 3.13Å; H190-V555 VanDerWaalsContact CD2-CG2 3.43Å; H190-V555 WeakPolarHBondContact CD2-CG2 3.22Å; H190-V555 WeakPolarHBondContact NE2-CG2 3.41Å
191Q89.7Confident86.6Confident3 Ų348.9 Ų48.91%0.01427%0.267CS..THydrogen-bonded Turntrans-105.7-36.6178-65.887.3-2100111Y84 D151 I153 Y187 N188 I209 Q210Y84-Q191 VanDerWaalsContact CG-NE2 3.25Å; D151-Q191 VanDerWaalsContact OD1-CG 3.24Å; D151-Q191 WeakPolarHBondContact OD1-CG 3.43Å; D151-Q191 PolarHBondContact OD1-NE2 3.43Å; D151-Q191 VanDerWaalsContact OD1-NE2 3.13Å; I153-Q191 HydrophobicContact CB-CB 3.86Å; I153-Q191 HydrophobicContact CB-CG 4.02Å; I153-Q191 HydrophobicContact CG1-CB 4.08Å; I153-Q191 HydrophobicContact CG2-CB 4.07Å; I153-Q191 HydrophobicContact CG2-CG 3.97Å; Y187-Q191 PolarHBondContact O-NE2 2.86Å; Y187-Q191 PolarHBondContact O-OE1 3.48Å; N188-Q191 PolarHBondContact O-N 3.02Å; N188-Q191 PolarHBondContact O-OE1 3.3Å; Q191-I209 CarbonylContact O-C 3.6Å; Q191-I209 VanDerWaalsContact O-CA 3.23Å; Q191-I209 WeakPolarHBondContact O-CA 3.45Å; Q191-Q210 PolarHBondContact O-N 2.83Å
192L93.5Very high87Confident0 Ų048.3 Ų48.30%026%0.261CS..EExtended strand (participates in β ladder)trans-100.7123173.7-61.3-178.8000110L107 I153 I173 Y175 N188 V195 V203 A206 I209 F549L107-L192 HydrophobicContact CD2-CD2 4.1Å; I153-L192 HydrophobicContact CD1-CD2 3.74Å; I153-L192 HydrophobicContact CD1-CG 4.14Å; I153-L192 HydrophobicContact CG1-CD2 4.49Å; I173-L192 HydrophobicContact CG2-CD1 4.21Å; Y175-L192 HydrophobicContact CD2-CB 4.45Å; Y175-L192 HydrophobicContact CE2-CB 4.27Å; N188-L192 HydrophobicContact CB-CD1 4.45Å; N188-L192 HydrophobicContact CB-CG 4.49Å; N188-L192 PolarHBondContact O-N 3.33Å; L192-V195 HydrophobicContact CB-CG2 3.5Å; L192-V203 HydrophobicContact CD1-CG2 4.18Å; L192-A206 HydrophobicContact CB-CB 4.36Å; L192-A206 HydrophobicContact CD2-CB 4.09Å; L192-I209 HydrophobicContact CD2-CD1 4.36Å; L192-I209 HydrophobicContact CD2-CG1 4.01Å; L192-F549 VanDerWaalsContact C-CE1 3.42Å
193G91.5Very high87.7Confident0 Ų046.1 Ų46.10%025%0.25CS..EExtended strand (participates in β ladder)trans-116.8152.3178.500000112.2V195 E207 A208 Y548 F549G193-V195 VanDerWaalsContact C-N 3.3Å; G193-V195 PolarHBondContact O-N 3Å; G193-E207 PolarHBondContact O-N 2.82Å; G193-A208 PolarHBondContact N-O 3.01Å; G193-A208 PolarHBondContact O-N 3.41Å; G193-Y548 CarbonylContact C-O 3.52Å; G193-Y548 WeakPolarHBondContact CA-O 3.21Å; G193-F549 VanDerWaalsContact CA-CE1 3.5Å; G193-F549 VanDerWaalsContact N-CE1 3.29Å
194G91.1Very high88Confident20 Ų2051.9 Ų51.921%0.20627%0.266CS..EExtended strand (participates in β ladder)trans56.543.9-175.800000112.5E207 Y548G194-E207 PolarHBondContact O-N 2.81Å; G194-Y548 PolarHBondContact N-O 3.44Å
195V92.5Very high88.4Confident18 Ų1851.4 Ų51.411%0.10927%0.269CS..EExtended strand (participates in β ladder)trans-78.6127.4-172.3-174.50000110.8Y175 L192 G193 V197 V203 S205 A206Y175-V195 HydrophobicContact CD1-CB 4.43Å; Y175-V195 HydrophobicContact CD1-CG1 4.18Å; Y175-V195 HydrophobicContact CD2-CB 4.38Å; Y175-V195 HydrophobicContact CD2-CG1 4.15Å; Y175-V195 HydrophobicContact CD2-CG2 4.01Å; Y175-V195 HydrophobicContact CE1-CB 4.24Å; Y175-V195 HydrophobicContact CE1-CG1 4.49Å; Y175-V195 HydrophobicContact CE2-CB 4.18Å; Y175-V195 HydrophobicContact CE2-CG1 4.45Å; Y175-V195 HydrophobicContact CE2-CG2 3.63Å; Y175-V195 HydrophobicContact CG-CB 4.49Å; Y175-V195 HydrophobicContact CG-CG1 3.99Å; L192-V195 HydrophobicContact CB-CG2 3.5Å; G193-V195 VanDerWaalsContact C-N 3.3Å; G193-V195 PolarHBondContact O-N 3Å; V195-V197 HydrophobicContact CG1-CG2 3.85Å; V195-V203 HydrophobicContact CG1-CG1 3.98Å; V195-V203 HydrophobicContact CG1-CG2 4.06Å; V195-S205 CarbonylContact C-O 3.53Å; V195-S205 WeakPolarHBondContact CA-O 3.32Å; V195-A206 HydrophobicContact CG2-CB 4.26Å
196T91.4Very high88.8Confident58 Ų5849.4 Ų49.436%0.35625%0.252SS..EExtended strand (participates in β ladder)trans-101130.4165.273.30000109.3K204 S205T196-K204 WeakPolarHBondContact O-CB 3.32Å; T196-K204 PolarHBondContact O-N 3.48Å; T196-S205 PolarHBondContact N-O 2.94Å; T196-S205 PolarHBondContact O-N 2.85Å; T196-S205 PolarHBondContact OG1-N 3.13Å; T196-S205 PolarHBondContact OG1-OG 2.69Å
197V89.2Confident89.3Confident63 Ų6351.1 Ų51.138%0.38226%0.259SS..EExtended strand (participates in β ladder)trans-113.3141.9-171.9-171.80000109.1Y175 V195 D201 R202Y175-V197 HydrophobicContact CD1-CG2 4.01Å; V195-V197 HydrophobicContact CG1-CG2 3.85Å; V197-D201 VanDerWaalsContact CG1-C 3.4Å; V197-R202 CarbonylContact C-O 3.48Å; V197-R202 WeakPolarHBondContact CA-O 3.36Å; V197-R202 WeakPolarHBondContact CG1-O 3.42Å
198H85.5Confident89.7Confident124 Ų12450.6 Ų50.657%0.57426%0.257SS*.  trans-92.5-170.2173.3-163.364.3000110.8R202H198-R202 HydrophobicContact CB-CB 4.45Å; H198-R202 PolarHBondContact N-O 3.28Å
199S83.2Confident90.1Very high76 Ų7650.4 Ų50.453%0.53126%0.256SS..G310 helixtrans-55.8141.3168.6600000111.5
200K77.8Confident90.4Very high184 Ų18450.9 Ų50.980%0.826%0.258SS*.G310 helixtrans62.742.7179.1-51.4-179.9178.6-1780115R202K200-R202 PolarHBondContact O-N 2.77Å
201D85.1Confident90.7Very high103 Ų10349.3 Ų49.355%0.55125%0.251SS*.G310 helixtrans61.415172.7-61.7-31.8000115.7T174 Y175 V197T174-D201 CarbonylContact C-O 3.6Å; T174-D201 WeakPolarHBondContact CA-O 3.07Å; Y175-D201 PolarHBondContact N-O 2.76Å; Y175-D201 WeakPolarHBondContact O-CB 3.22Å; V197-D201 VanDerWaalsContact CG1-C 3.4Å
202R90.3Very high90.6Very high121 Ų12149.3 Ų49.346%0.45725%0.251SS..BIsolated β-bridgetrans-76.7129.9178.2-68-17566.4176.53.4111.2T174 V197 H198 K200 K204T174-R202 HydrophobicContact CG2-CG 4.34Å; V197-R202 CarbonylContact C-O 3.48Å; V197-R202 WeakPolarHBondContact CA-O 3.36Å; V197-R202 WeakPolarHBondContact CG1-O 3.42Å; H198-R202 HydrophobicContact CB-CB 4.45Å; H198-R202 PolarHBondContact N-O 3.28Å; K200-R202 PolarHBondContact O-N 2.77Å; R202-K204 PolarHBondContact O-N 3.19Å
203V92.6Very high90.5Very high25 Ų2549.4 Ų49.415%0.15225%0.252CS..EExtended strand (participates in β ladder)trans-69121.2177.4179.50000110.3L107 I173 L192 V195L107-V203 HydrophobicContact CD1-CB 4.45Å; L107-V203 HydrophobicContact CD1-CG1 3.49Å; L107-V203 VanDerWaalsContact CD1-CG1 3.49Å; I173-V203 HydrophobicContact CB-CB 4.36Å; I173-V203 HydrophobicContact CB-CG2 4.35Å; I173-V203 HydrophobicContact CG2-CB 4.42Å; I173-V203 HydrophobicContact CG2-CG2 3.94Å; I173-V203 PolarHBondContact O-N 2.87Å; L192-V203 HydrophobicContact CD1-CG2 4.18Å; V195-V203 HydrophobicContact CG1-CG1 3.98Å; V195-V203 HydrophobicContact CG1-CG2 4.06Å
204K90.1Very high90.2Very high151 Ų15149.8 Ų49.866%0.65725%0.253SS*.EExtended strand (participates in β ladder)trans-86.8-48.2170.8178.8-174.4178.5-174.60110.5T196 R202T196-K204 WeakPolarHBondContact O-CB 3.32Å; T196-K204 PolarHBondContact O-N 3.48Å; R202-K204 PolarHBondContact O-N 3.19Å
205S92.9Very high90Very high28 Ų2849.1 Ų49.120%0.19625%0.245CC..EExtended strand (participates in β ladder)trans-151.5157.3175.7680000111.5N105 V195 T196N105-S205 WeakPolarHBondContact OD1-CA 3.15Å; V195-S205 CarbonylContact C-O 3.53Å; V195-S205 WeakPolarHBondContact CA-O 3.32Å; T196-S205 PolarHBondContact N-O 2.94Å; T196-S205 PolarHBondContact O-N 2.85Å; T196-S205 PolarHBondContact OG1-N 3.13Å; T196-S205 PolarHBondContact OG1-OG 2.69Å
206A95.3Very high89.5Confident0 Ų050.2 Ų50.20%025%0.249CC..EExtended strand (participates in β ladder)trans-129.8132166.400000109N105 M106 L107 L192 V195N105-A206 PolarHBondContact OD1-N 2.86Å; N105-A206 PolarHBondContact OD1-O 3.38Å; M106-A206 PolarHBondContact N-O 2.58Å; L107-A206 HydrophobicContact CD1-CB 4.14Å; L107-A206 HydrophobicContact CG-CB 4.23Å; L192-A206 HydrophobicContact CB-CB 4.36Å; L192-A206 HydrophobicContact CD2-CB 4.09Å; V195-A206 HydrophobicContact CG2-CB 4.26Å
207E95.1Very high88.8Confident49 Ų4949.8 Ų49.823%0.22925%0.248CC..EExtended strand (participates in β ladder)trans-82.6-21.5179.2-67.3-169.5-169.100113M106 G193 G194 Y548M106-E207 VanDerWaalsContact CG-O 3.24Å; M106-E207 WeakPolarHBondContact CG-O 3.43Å; G193-E207 PolarHBondContact O-N 2.82Å; G194-E207 PolarHBondContact O-N 2.81Å; E207-Y548 HydrophobicContact CB-CD1 4.19Å; E207-Y548 HydrophobicContact CB-CE1 4Å
208A95.7Very high88.1Confident0 Ų051.7 Ų51.70%026%0.255CS..EExtended strand (participates in β ladder)trans-139.5146.4-177.400000111.9I97 V98 T99 G193 Y548 F549I97-A208 HydrophobicContact CG2-CB 4.22Å; V98-A208 WeakPolarHBondContact O-CA 3.38Å; T99-A208 HydrophobicContact CG2-CB 3.74Å; G193-A208 PolarHBondContact N-O 3.01Å; G193-A208 PolarHBondContact O-N 3.41Å; A208-Y548 HydrophobicContact CB-CD1 3.97Å; A208-Y548 HydrophobicContact CB-CD2 4.18Å; A208-Y548 HydrophobicContact CB-CG 3.71Å; A208-F549 HydrophobicContact CB-CE2 4.01Å; A208-F549 HydrophobicContact CB-CZ 3.99Å
209I95.9Very high88Confident0 Ų049.4 Ų49.40%025%0.247CC..EExtended strand (participates in β ladder)trans-125.4128.4169.6-67.1179.7000109.3I97 V98 M106 L107 I115 I153 L157 Q191 L192 L211I97-I209 CarbonylContact C-O 3.43Å; V98-I209 PolarHBondContact N-O 2.91Å; V98-I209 PolarHBondContact O-N 3.13Å; M106-I209 HydrophobicContact CB-CD1 3.7Å; M106-I209 HydrophobicContact CB-CG1 3.77Å; L107-I209 HydrophobicContact CD2-CD1 3.94Å; I115-I209 HydrophobicContact CD1-CB 4.07Å; I115-I209 HydrophobicContact CD1-CD1 3.57Å; I115-I209 HydrophobicContact CD1-CG1 4.27Å; I115-I209 HydrophobicContact CD1-CG2 4.34Å; I153-I209 HydrophobicContact CG1-CG2 4.27Å; L157-I209 HydrophobicContact CD1-CD1 4.38Å; L157-I209 HydrophobicContact CD2-CD1 4.12Å; Q191-I209 CarbonylContact O-C 3.6Å; Q191-I209 VanDerWaalsContact O-CA 3.23Å; Q191-I209 WeakPolarHBondContact O-CA 3.45Å; L192-I209 HydrophobicContact CD2-CD1 4.36Å; L192-I209 HydrophobicContact CD2-CG1 4.01Å; I209-L211 HydrophobicContact CG2-CD2 4.29Å
210Q93.2Very high88.2Confident11 Ų1150.6 Ų50.65%0.05126%0.255CS..EExtended strand (participates in β ladder)trans-102.9132.9173.4-172.4176.7-81.900109.9V96 I97 H190 Q191 Y541 F549V96-Q210 WeakPolarHBondContact O-CA 3.46Å; I97-Q210 HydrophobicContact CG1-CB 4.23Å; I97-Q210 HydrophobicContact CG1-CG 4.01Å; H190-Q210 WeakPolarHBondContact O-CB 3.38Å; H190-Q210 PolarHBondContact O-NE2 2.82Å; Q191-Q210 PolarHBondContact O-N 2.83Å; Q210-Y541 PolarHBondContact OE1-OH 2.97Å; Q210-F549 HydrophobicContact CB-CE1 4.05Å; Q210-F549 HydrophobicContact CB-CE2 4.3Å; Q210-F549 HydrophobicContact CB-CZ 3.66Å
211L92.6Very high88.6Confident1 Ų145.2 Ų45.21%0.00524%0.235CC..EExtended strand (participates in β ladder)trans-117.3135.6171.7-60.9179.2000109.7R95 V96 I115 I153 V154 I209 Y213R95-L211 CarbonylContact C-O 3.56Å; R95-L211 VanDerWaalsContact CA-O 3.31Å; R95-L211 WeakPolarHBondContact CA-O 3.36Å; V96-L211 HydrophobicContact CG1-CB 3.93Å; V96-L211 HydrophobicContact CG1-CD1 4.42Å; V96-L211 PolarHBondContact N-O 3.41Å; V96-L211 PolarHBondContact O-N 2.72Å; I115-L211 HydrophobicContact CG2-CD1 3.86Å; I115-L211 HydrophobicContact CG2-CD2 4.49Å; I115-L211 HydrophobicContact CG2-CG 4.47Å; I153-L211 HydrophobicContact CG2-CD2 3.58Å; V154-L211 HydrophobicContact CG2-CD2 3.87Å; I209-L211 HydrophobicContact CG2-CD2 4.29Å; L211-Y213 HydrophobicContact CB-CE2 3.99Å
212T89Confident88.6Confident3 Ų341.5 Ų41.52%0.01822%0.215CC..EExtended strand (participates in β ladder)trans-119.9137.7173.5-48.60000112.3G94 R95 D151 Y214G94-T212 CarbonylContact O-C 3.53Å; G94-T212 WeakPolarHBondContact O-CA 3.41Å; R95-T212 HydrophobicContact CG-CG2 3.54Å; R95-T212 WeakPolarHBondContact CG-OG1 3.48Å; R95-T212 PolarHBondContact NE-OG1 3.27Å; D151-T212 PolarHBondContact OD2-N 2.88Å; T212-Y214 HydrophobicContact CG2-CD1 3.94Å; T212-Y214 HydrophobicContact CG2-CD2 4.35Å; T212-Y214 HydrophobicContact CG2-CE1 3.28Å; T212-Y214 HydrophobicContact CG2-CE2 3.83Å; T212-Y214 HydrophobicContact CG2-CG 4.41Å; T212-Y214 WeakPolarHBondContact CG2-OH 3.34Å
213Y89.7Confident88.5Confident2 Ų238.1 Ų38.11%0.00821%0.206CC..EExtended strand (participates in β ladder)trans-121.6108.2178.1-60.7-88.1000109Y93 G94 H119 V122 F136 L211 W229 F233Y93-Y213 CarbonylContact C-O 3.51Å; Y93-Y213 WeakPolarHBondContact CA-O 3.33Å; Y93-Y213 WeakPolarHBondContact CB-O 3.32Å; G94-Y213 PolarHBondContact N-O 2.87Å; G94-Y213 PolarHBondContact O-N 3.48Å; H119-Y213 WeakPolarHBondContact CA-OH 3.18Å; H119-Y213 AromaticContact CE1-CE1 3.9Å; H119-Y213 AromaticContact ND1-CE1 3.47Å; H119-Y213 WeakPolarHBondContact ND1-CE1 3.27Å; H119-Y213 AromaticContact ND1-CZ 3.74Å; H119-Y213 PolarHBondContact ND1-OH 2.67Å; H119-Y213 VanDerWaalsContact ND1-OH 3.13Å; V122-Y213 HydrophobicContact CB-CE1 4.17Å; V122-Y213 HydrophobicContact CB-CE2 4.42Å; V122-Y213 HydrophobicContact CG1-CD1 3.77Å; V122-Y213 HydrophobicContact CG1-CD2 4.01Å; V122-Y213 HydrophobicContact CG1-CE1 3.56Å; V122-Y213 HydrophobicContact CG1-CE2 3.83Å; V122-Y213 HydrophobicContact CG1-CG 3.99Å; V122-Y213 HydrophobicContact CG2-CE2 4.46Å; F136-Y213 HydrophobicContact CE1-CD1 4.49Å; F136-Y213 HydrophobicContact CE2-CD1 4.15Å; F136-Y213 HydrophobicContact CZ-CD1 4.03Å; L211-Y213 HydrophobicContact CB-CE2 3.99Å; Y213-W229 HydrophobicContact CG-CH2 4.11Å; Y213-F233 AromaticContact CD2-CE2 3.69Å; Y213-F233 HydrophobicContact CD2-CE2 3.69Å; Y213-F233 HydrophobicContact CD2-CZ 4.21Å; Y213-F233 AromaticContact CE2-CE2 3.89Å; Y213-F233 HydrophobicContact CE2-CE2 3.89Å; Y213-F233 HydrophobicContact CE2-CZ 4.5Å
214Y85.8Confident88.4Confident9 Ų941.2 Ų41.24%0.03522%0.22CC..EExtended strand (participates in β ladder)trans-89.5137.1-178.6-63.1-61.6000112.1Y84 L87 R95 C140 I141 T212Y84-Y214 HydrophobicContact CD1-CE2 4.06Å; Y84-Y214 PolarHBondContact O-OH 3.12Å; L87-Y214 HydrophobicContact CD1-CD1 3.51Å; L87-Y214 HydrophobicContact CD1-CE1 3.12Å; L87-Y214 HydrophobicContact CD2-CD1 4.26Å; L87-Y214 HydrophobicContact CG-CD1 4.03Å; L87-Y214 HydrophobicContact CG-CE1 3.78Å; R95-Y214 PolarHBondContact NH2-OH 3.17Å; C140-Y214 WeakPolarHBondContact CA-O 3.47Å; I141-Y214 HydrophobicContact CD1-CG 4.44Å; I141-Y214 PolarHBondContact N-O 3.16Å; T212-Y214 HydrophobicContact CG2-CD1 3.94Å; T212-Y214 HydrophobicContact CG2-CD2 4.35Å; T212-Y214 HydrophobicContact CG2-CE1 3.28Å; T212-Y214 HydrophobicContact CG2-CE2 3.83Å; T212-Y214 HydrophobicContact CG2-CG 4.41Å; T212-Y214 WeakPolarHBondContact CG2-OH 3.34Å
215L87.2Confident88.5Confident6 Ų634 Ų343%0.03119%0.189CC..EExtended strand (participates in β ladder)trans-117.5146.1-177.5-50.9173000110.3R92 F136 I139 A226 W229 E230R92-L215 HydrophobicContact CB-CB 3.9Å; R92-L215 HydrophobicContact CB-CD1 4.2Å; R92-L215 WeakPolarHBondContact O-CB 3.35Å; R92-L215 PolarHBondContact O-N 3.05Å; F136-L215 HydrophobicContact CD2-CD2 4Å; F136-L215 HydrophobicContact CE2-CD2 3.95Å; I139-L215 HydrophobicContact CD1-CD2 3.95Å; I139-L215 HydrophobicContact CG1-CD2 4.07Å; I139-L215 CarbonylContact O-C 3.59Å; I139-L215 VanDerWaalsContact O-CA 3.32Å; I139-L215 WeakPolarHBondContact O-CA 3.43Å; L215-A226 HydrophobicContact CB-CB 4.16Å; L215-A226 HydrophobicContact CD1-CB 3.98Å; L215-W229 HydrophobicContact CD1-CD2 4.22Å; L215-W229 HydrophobicContact CD1-CE3 3.48Å; L215-W229 VanDerWaalsContact CD1-CE3 3.48Å; L215-W229 HydrophobicContact CD1-CZ3 3.95Å; L215-W229 HydrophobicContact CD2-CD2 4.07Å; L215-W229 HydrophobicContact CD2-CE3 3.87Å; L215-W229 HydrophobicContact CD2-CH2 4.39Å; L215-W229 HydrophobicContact CD2-CZ3 4.03Å; L215-W229 HydrophobicContact CG-CE3 4.21Å; L215-W229 HydrophobicContact CG-CZ3 4.35Å; L215-E230 HydrophobicContact CD1-CG 3.9Å
216Q82.2Confident88.4Confident41 Ų4132.7 Ų32.719%0.19218%0.179CC..  trans-90.2129.4177.5-17917063.600110.6I139 I218I139-Q216 PolarHBondContact O-N 2.85Å; Q216-I218 HydrophobicContact CG-CD1 3.74Å; Q216-I218 HydrophobicContact CG-CG1 3.59Å
217S76.6Confident88.2Confident49 Ų4935.6 Ų35.634%0.34319%0.193SC..  trans-12578172.4-179.70000109.8D223S217-D223 WeakPolarHBondContact CB-OD1 3.43Å; S217-D223 VanDerWaalsContact OG-CB 3.25Å; S217-D223 WeakPolarHBondContact OG-CB 3.4Å; S217-D223 VanDerWaalsContact OG-CG 3.27Å; S217-D223 PolarHBondContact OG-OD1 3.36Å
218I75.4Confident88.2Confident102 Ų10240 Ų4052%0.52321%0.208SC..SBendtrans-85.7-47.6177.7-64.7162.7000111.2Q216Q216-I218 HydrophobicContact CG-CD1 3.74Å; Q216-I218 HydrophobicContact CG-CG1 3.59Å
219N83.4Confident88.2Confident77 Ų7740 Ų4041%0.41221%0.208SC..SBendtrans-124.5166.3-17563.718.3000109.8L221 N222 D223N219-L221 PolarHBondContact O-N 2.73Å; N219-L221 PolarHBondContact OD1-N 3.48Å; N219-N222 PolarHBondContact O-N 3.34Å; N219-N222 VanDerWaalsContact OD1-CB 3.25Å; N219-N222 WeakPolarHBondContact OD1-CB 3.45Å; N219-N222 PolarHBondContact OD1-N 3.2Å; N219-N222 PolarHBondContact OD1-OD1 2.86Å; N219-D223 PolarHBondContact O-N 2.63Å
220S86.2Confident88.1Confident100 Ų10040.1 Ų40.170%0.69921%0.208SC*.Hα-helixtrans-58.5-30.7-178.955.70000113.4M224S220-M224 VanDerWaalsContact O-CB 3.31Å; S220-M224 WeakPolarHBondContact O-CB 3.31Å; S220-M224 PolarHBondContact O-N 3.2Å; S220-M224 VanDerWaalsContact O-N 3.1Å
221L87.3Confident88.2Confident72 Ų7241.1 Ų41.138%0.37722%0.216SC..Hα-helixtrans-67.1-51.5176.5179.663.2000111.7N219 D223 M224 V225N219-L221 PolarHBondContact O-N 2.73Å; N219-L221 PolarHBondContact OD1-N 3.48Å; L221-D223 VanDerWaalsContact C-N 3.29Å; L221-D223 PolarHBondContact O-N 3.43Å; L221-M224 PolarHBondContact O-N 3.42Å; L221-V225 HydrophobicContact CD1-CG2 4.4Å; L221-V225 WeakPolarHBondContact O-CG2 3.2Å; L221-V225 PolarHBondContact O-N 3.43Å
222N84.7Confident88.4Confident25 Ų2542.1 Ų42.113%0.13422%0.223CC..Hα-helixtrans-62.8-39.4178.9-73.47.5000110.7N219 M224 V225 A226N219-N222 PolarHBondContact O-N 3.34Å; N219-N222 VanDerWaalsContact OD1-CB 3.25Å; N219-N222 WeakPolarHBondContact OD1-CB 3.45Å; N219-N222 PolarHBondContact OD1-N 3.2Å; N219-N222 PolarHBondContact OD1-OD1 2.86Å; N222-M224 PolarHBondContact O-N 3.2Å; N222-V225 PolarHBondContact O-N 3.4Å; N222-A226 WeakPolarHBondContact O-CB 3.49Å; N222-A226 PolarHBondContact O-N 3.17Å
223D87.9Confident88.8Confident49 Ų4942 Ų4226%0.26222%0.222SC..Hα-helixtrans-59.3-47.8176.3-165.165.9000111.7R92 S217 N219 L221 V225 A226 E227R92-D223 IonicContact CZ-OD1 3.11Å; R92-D223 IonicContact CZ-OD2 3.33Å; R92-D223 VanDerWaalsContact NE-CG 3.34Å; R92-D223 PolarHBondContact NE-O 3.19Å; R92-D223 IonicContact NE-OD1 2.72Å; R92-D223 PolarHBondContact NE-OD1 3.44Å; R92-D223 IonicContact NE-OD2 3.38Å; R92-D223 IonicContact NH2-OD1 2.63Å; R92-D223 IonicContact NH2-OD2 2.97Å; R92-D223 PolarHBondContact NH2-OD2 2.94Å; S217-D223 WeakPolarHBondContact CB-OD1 3.43Å; S217-D223 VanDerWaalsContact OG-CB 3.25Å; S217-D223 WeakPolarHBondContact OG-CB 3.4Å; S217-D223 VanDerWaalsContact OG-CG 3.27Å; S217-D223 PolarHBondContact OG-OD1 3.36Å; N219-D223 PolarHBondContact O-N 2.63Å; L221-D223 VanDerWaalsContact C-N 3.29Å; L221-D223 PolarHBondContact O-N 3.43Å; D223-V225 PolarHBondContact O-N 3.49Å; D223-A226 PolarHBondContact O-N 3.12Å; D223-E227 PolarHBondContact O-N 2.7Å
224M89.5Confident89.1Confident90 Ų9042.3 Ų42.344%0.44323%0.225SC..Hα-helixtrans-65.6-38.4178.9-171.3-172.8-59.800112.7R129 S220 L221 N222 R228R129-M224 PolarHBondContact NH2-SD 3.11Å; S220-M224 VanDerWaalsContact O-CB 3.31Å; S220-M224 WeakPolarHBondContact O-CB 3.31Å; S220-M224 PolarHBondContact O-N 3.2Å; S220-M224 VanDerWaalsContact O-N 3.1Å; L221-M224 PolarHBondContact O-N 3.42Å; N222-M224 PolarHBondContact O-N 3.2Å; M224-R228 PolarHBondContact O-N 2.95Å
225V92.6Very high89.6Confident1 Ų145.7 Ų45.71%0.00624%0.244CC..Hα-helixtrans-68.6-41.6174.71740000110.6V127 R129 Y134 I139 L221 N222 D223 R228 W229V127-V225 HydrophobicContact CB-CG1 4.34Å; V127-V225 HydrophobicContact CG1-CG1 4.16Å; R129-V225 HydrophobicContact CG-CG2 4.42Å; Y134-V225 HydrophobicContact CD1-CG1 4.05Å; Y134-V225 HydrophobicContact CD2-CG1 3.96Å; Y134-V225 HydrophobicContact CD2-CG2 3.88Å; Y134-V225 HydrophobicContact CE2-CG2 3.91Å; Y134-V225 HydrophobicContact CG-CG1 3.6Å; Y134-V225 HydrophobicContact CG-CG2 4.23Å; I139-V225 HydrophobicContact CD1-CG1 4.38Å; I139-V225 HydrophobicContact CG2-CB 4.48Å; I139-V225 HydrophobicContact CG2-CG1 3.81Å; L221-V225 HydrophobicContact CD1-CG2 4.4Å; L221-V225 WeakPolarHBondContact O-CG2 3.2Å; L221-V225 PolarHBondContact O-N 3.43Å; N222-V225 PolarHBondContact O-N 3.4Å; D223-V225 PolarHBondContact O-N 3.49Å; V225-R228 PolarHBondContact O-N 3.5Å; V225-W229 WeakPolarHBondContact O-CB 3.47Å; V225-W229 PolarHBondContact O-N 3.11Å
226A91.4Very high90.1Very high0 Ų047.1 Ų47.10%025%0.253CS..Hα-helixtrans-64.8-40.5178.300000111.7R92 L215 N222 D223 R228 W229 E230R92-A226 HydrophobicContact CB-CB 4.33Å; R92-A226 VanDerWaalsContact CD-CB 3.45Å; L215-A226 HydrophobicContact CB-CB 4.16Å; L215-A226 HydrophobicContact CD1-CB 3.98Å; N222-A226 WeakPolarHBondContact O-CB 3.49Å; N222-A226 PolarHBondContact O-N 3.17Å; D223-A226 PolarHBondContact O-N 3.12Å; A226-R228 VanDerWaalsContact C-N 3.32Å; A226-R228 PolarHBondContact O-N 2.9Å; A226-W229 WeakPolarHBondContact O-CB 3.49Å; A226-W229 PolarHBondContact O-N 3.28Å; A226-E230 WeakPolarHBondContact O-CG 3.34Å; A226-E230 PolarHBondContact O-N 2.93Å
227E91.9Very high90.8Very high60 Ų6045.2 Ų45.228%0.2824%0.244SC..Hα-helixtrans-57.3-46.3171.7-168.6162.5169.100112R92 D223 W229 E230 S231 R258R92-E227 IonicContact CZ-OE2 3.88Å; R92-E227 VanDerWaalsContact NH1-CA 3.32Å; R92-E227 VanDerWaalsContact NH1-CB 3.27Å; R92-E227 IonicContact NH1-OE2 2.72Å; R92-E227 IonicContact NH2-OE2 3.25Å; R92-E227 PolarHBondContact NH2-OE2 2.84Å; D223-E227 PolarHBondContact O-N 2.7Å; E227-W229 VanDerWaalsContact C-N 3.29Å; E227-W229 PolarHBondContact O-N 3.35Å; E227-E230 WeakPolarHBondContact O-CB 3.48Å; E227-E230 PolarHBondContact O-N 2.86Å; E227-S231 PolarHBondContact O-N 3.38Å; E227-S231 VanDerWaalsContact O-N 3.17Å; E227-S231 PolarHBondContact O-OG 3.45Å; E227-R258 IonicContact OE1-CZ 3.3Å; E227-R258 IonicContact OE1-NH1 2.76Å; E227-R258 IonicContact OE1-NH2 2.77Å; E227-R258 PolarHBondContact OE1-NH2 2.77Å; E227-R258 IonicContact OE2-NH2 3.46Å
228R93.6Very high91.6Very high143 Ų14348.5 Ų48.554%0.5425%0.249SC..Hα-helixtrans-67.8-33.6178.7-173.259178.2156.83.3112.1V127 M224 V225 A226 S232V127-R228 HydrophobicContact CG1-CB 3.83Å; V127-R228 HydrophobicContact CG1-CG 3.57Å; V127-R228 HydrophobicContact CG2-CG 4.46Å; M224-R228 PolarHBondContact O-N 2.95Å; V225-R228 PolarHBondContact O-N 3.5Å; A226-R228 VanDerWaalsContact C-N 3.32Å; A226-R228 PolarHBondContact O-N 2.9Å; R228-S232 WeakPolarHBondContact O-CB 3.36Å; R228-S232 PolarHBondContact O-N 2.92Å; R228-S232 VanDerWaalsContact O-N 3.11Å; R228-S232 PolarHBondContact O-OG 3Å
229W95.9Very high92.6Very high0 Ų048.7 Ų48.70%025%0.25CS..Hα-helixtrans-65.2-41.4172.5-172.596.4000111.1V122 I125 V127 F136 I139 Y213 L215 V225 A226 E227 S231 S232 F233V122-W229 HydrophobicContact CG1-CH2 3.86Å; V122-W229 HydrophobicContact CG1-CZ2 3.67Å; I125-W229 HydrophobicContact CD1-CZ2 4.28Å; I125-W229 HydrophobicContact CG2-CG 4.44Å; V127-W229 HydrophobicContact CG2-CB 3.86Å; V127-W229 HydrophobicContact CG2-CG 4.39Å; F136-W229 HydrophobicContact CB-CZ2 4.41Å; F136-W229 HydrophobicContact CD2-CH2 4.27Å; F136-W229 AromaticContact CD2-CZ2 3.64Å; F136-W229 HydrophobicContact CD2-CZ2 3.64Å; F136-W229 HydrophobicContact CE2-CZ2 4.36Å; F136-W229 HydrophobicContact CG-CZ2 4.34Å; I139-W229 HydrophobicContact CD1-CB 3.58Å; I139-W229 HydrophobicContact CD1-CD2 4.3Å; I139-W229 HydrophobicContact CD1-CG 3.57Å; Y213-W229 HydrophobicContact CG-CH2 4.11Å; L215-W229 HydrophobicContact CD1-CD2 4.22Å; L215-W229 HydrophobicContact CD1-CE3 3.48Å; L215-W229 VanDerWaalsContact CD1-CE3 3.48Å; L215-W229 HydrophobicContact CD1-CZ3 3.95Å; L215-W229 HydrophobicContact CD2-CD2 4.07Å; L215-W229 HydrophobicContact CD2-CE3 3.87Å; L215-W229 HydrophobicContact CD2-CH2 4.39Å; L215-W229 HydrophobicContact CD2-CZ3 4.03Å; L215-W229 HydrophobicContact CG-CE3 4.21Å; L215-W229 HydrophobicContact CG-CZ3 4.35Å; V225-W229 WeakPolarHBondContact O-CB 3.47Å; V225-W229 PolarHBondContact O-N 3.11Å; A226-W229 WeakPolarHBondContact O-CB 3.49Å; A226-W229 PolarHBondContact O-N 3.28Å; E227-W229 VanDerWaalsContact C-N 3.29Å; E227-W229 PolarHBondContact O-N 3.35Å; W229-S231 PolarHBondContact O-N 3.08Å; W229-S232 CarbonylContact O-C 3.17Å; W229-S232 PolarHBondContact O-N 2.84Å; W229-S232 VanDerWaalsContact O-N 3.14Å; W229-F233 HydrophobicContact CD2-CB 4.45Å; W229-F233 HydrophobicContact CE3-CB 3.89Å; W229-F233 HydrophobicContact CH2-CB 4.03Å; W229-F233 AromaticContact CH2-CD2 3.63Å; W229-F233 HydrophobicContact CH2-CD2 3.63Å; W229-F233 HydrophobicContact CH2-CE2 4.37Å; W229-F233 AromaticContact CH2-CG 4Å; W229-F233 HydrophobicContact CH2-CG 4Å; W229-F233 HydrophobicContact CZ2-CD2 4.35Å; W229-F233 HydrophobicContact CZ3-CB 3.67Å; W229-F233 AromaticContact CZ3-CD2 3.96Å; W229-F233 HydrophobicContact CZ3-CD2 3.96Å; W229-F233 AromaticContact CZ3-CG 3.83Å; W229-F233 HydrophobicContact CZ3-CG 3.83Å; W229-F233 VanDerWaalsContact O-CB 3.31Å; W229-F233 WeakPolarHBondContact O-CB 3.45Å; W229-F233 PolarHBondContact O-N 2.78Å
230E95Very high93.2Very high1 Ų146.6 Ų46.61%0.00524%0.238CC..Hα-helixtrans-59.2-44.7176.8-75.4179.8160.900112R92 Y93 L215 A226 E227 S232 F233 C234 T253 S254 S255R92-E230 IonicContact NH1-OE2 2.89Å; R92-E230 PolarHBondContact NH1-OE2 2.72Å; Y93-E230 PolarHBondContact N-OE1 3.06Å; L215-E230 HydrophobicContact CD1-CG 3.9Å; A226-E230 WeakPolarHBondContact O-CG 3.34Å; A226-E230 PolarHBondContact O-N 2.93Å; E227-E230 WeakPolarHBondContact O-CB 3.48Å; E227-E230 PolarHBondContact O-N 2.86Å; E230-S232 VanDerWaalsContact C-N 3.35Å; E230-S232 PolarHBondContact O-N 3.26Å; E230-F233 WeakPolarHBondContact O-CB 3.34Å; E230-F233 PolarHBondContact O-N 3.33Å; E230-C234 PolarHBondContact O-N 2.81Å; E230-C234 VanDerWaalsContact O-N 3.11Å; E230-C234 PolarHBondContact O-SG 2.86Å; E230-T253 HydrophobicContact CB-CG2 3.88Å; E230-T253 HydrophobicContact CG-CG2 4.12Å; E230-S254 VanDerWaalsContact CD-OG 3.27Å; E230-S254 WeakPolarHBondContact OE1-CB 3.26Å; E230-S254 PolarHBondContact OE1-N 2.82Å; E230-S254 PolarHBondContact OE1-OG 3.42Å; E230-S254 PolarHBondContact OE2-OG 3.11Å; E230-S255 WeakPolarHBondContact OE2-CB 3.49Å; E230-S255 PolarHBondContact OE2-N 3.32Å; E230-S255 PolarHBondContact OE2-OG 3.07Å
231S94.6Very high93.6Very high33 Ų3344.7 Ų44.723%0.23122%0.217CC..Hα-helixtrans-61.4-45.6173.7-47.60000111.3E227 W229 F233 C234 D235E227-S231 PolarHBondContact O-N 3.38Å; E227-S231 VanDerWaalsContact O-N 3.17Å; E227-S231 PolarHBondContact O-OG 3.45Å; W229-S231 PolarHBondContact O-N 3.08Å; S231-F233 VanDerWaalsContact C-N 3.29Å; S231-F233 PolarHBondContact O-N 2.86Å; S231-C234 PolarHBondContact O-N 3.49Å; S231-D235 PolarHBondContact O-N 3.47Å; S231-D235 VanDerWaalsContact O-N 3.07Å
232S96.2Very high93.9Very high21 Ų2149.3 Ų49.315%0.14723%0.234CC..Hα-helixtrans-65.7-32.1-179.9-55.30000112.3R228 W229 E230 T236R228-S232 WeakPolarHBondContact O-CB 3.36Å; R228-S232 PolarHBondContact O-N 2.92Å; R228-S232 VanDerWaalsContact O-N 3.11Å; R228-S232 PolarHBondContact O-OG 3Å; W229-S232 CarbonylContact O-C 3.17Å; W229-S232 PolarHBondContact O-N 2.84Å; W229-S232 VanDerWaalsContact O-N 3.14Å; E230-S232 VanDerWaalsContact C-N 3.35Å; E230-S232 PolarHBondContact O-N 3.26Å; S232-T236 VanDerWaalsContact O-CB 3.27Å; S232-T236 WeakPolarHBondContact O-CB 3.42Å; S232-T236 PolarHBondContact O-N 3.38Å; S232-T236 PolarHBondContact O-OG1 3.45Å
233F97.3Very high94.3Very high0 Ų052.9 Ų52.90%026%0.262CS..Hα-helixtrans-64-50.5173.7167.5-97.3000111R95 V96 V122 I125 Y213 W229 E230 S231 D235 T236 V237 P251 T253R95-F233 WeakPolarHBondContact O-CE1 3.36Å; R95-F233 WeakPolarHBondContact O-CZ 3.23Å; V96-F233 HydrophobicContact CB-CZ 4.07Å; V96-F233 HydrophobicContact CG1-CZ 4.23Å; V122-F233 HydrophobicContact CG1-CD2 3.72Å; V122-F233 HydrophobicContact CG1-CE2 3.91Å; V122-F233 HydrophobicContact CG2-CD2 3.98Å; V122-F233 HydrophobicContact CG2-CE2 3.9Å; I125-F233 HydrophobicContact CD1-CB 4.13Å; I125-F233 HydrophobicContact CD1-CD2 4.49Å; Y213-F233 AromaticContact CD2-CE2 3.69Å; Y213-F233 HydrophobicContact CD2-CE2 3.69Å; Y213-F233 HydrophobicContact CD2-CZ 4.21Å; Y213-F233 AromaticContact CE2-CE2 3.89Å; Y213-F233 HydrophobicContact CE2-CE2 3.89Å; Y213-F233 HydrophobicContact CE2-CZ 4.5Å; W229-F233 HydrophobicContact CD2-CB 4.45Å; W229-F233 HydrophobicContact CE3-CB 3.89Å; W229-F233 HydrophobicContact CH2-CB 4.03Å; W229-F233 AromaticContact CH2-CD2 3.63Å; W229-F233 HydrophobicContact CH2-CD2 3.63Å; W229-F233 HydrophobicContact CH2-CE2 4.37Å; W229-F233 AromaticContact CH2-CG 4Å; W229-F233 HydrophobicContact CH2-CG 4Å; W229-F233 HydrophobicContact CZ2-CD2 4.35Å; W229-F233 HydrophobicContact CZ3-CB 3.67Å; W229-F233 AromaticContact CZ3-CD2 3.96Å; W229-F233 HydrophobicContact CZ3-CD2 3.96Å; W229-F233 AromaticContact CZ3-CG 3.83Å; W229-F233 HydrophobicContact CZ3-CG 3.83Å; W229-F233 VanDerWaalsContact O-CB 3.31Å; W229-F233 WeakPolarHBondContact O-CB 3.45Å; W229-F233 PolarHBondContact O-N 2.78Å; E230-F233 WeakPolarHBondContact O-CB 3.34Å; E230-F233 PolarHBondContact O-N 3.33Å; S231-F233 VanDerWaalsContact C-N 3.29Å; S231-F233 PolarHBondContact O-N 2.86Å; F233-D235 VanDerWaalsContact C-N 3.31Å; F233-D235 PolarHBondContact O-N 3.04Å; F233-T236 PolarHBondContact O-N 2.73Å; F233-V237 HydrophobicContact CD2-CG2 4.23Å; F233-V237 HydrophobicContact CE1-CG2 4.31Å; F233-V237 HydrophobicContact CE2-CG2 3.88Å; F233-V237 HydrophobicContact CZ-CG2 3.92Å; F233-V237 VanDerWaalsContact O-CG2 3.31Å; F233-V237 WeakPolarHBondContact O-CG2 3.36Å; F233-V237 PolarHBondContact O-N 3.42Å; F233-P251 HydrophobicContact CE1-CB 4.29Å; F233-T253 HydrophobicContact CD1-CG2 3.76Å; F233-T253 HydrophobicContact CE1-CG2 4.26Å
234C96.3Very high94.6Very high10 Ų1052.9 Ų52.97%0.06826%0.261CS..Hα-helixtrans-57.2-45175.7-69.50000111.7E230 S231 V237 R238 T253 Q537E230-C234 PolarHBondContact O-N 2.81Å; E230-C234 VanDerWaalsContact O-N 3.11Å; E230-C234 PolarHBondContact O-SG 2.86Å; S231-C234 PolarHBondContact O-N 3.49Å; C234-V237 PolarHBondContact O-N 2.88Å; C234-R238 WeakPolarHBondContact O-CB 3.35Å; C234-R238 VanDerWaalsContact O-CG 3.23Å; C234-R238 WeakPolarHBondContact O-CG 3.37Å; C234-R238 PolarHBondContact O-N 3.28Å; C234-T253 VanDerWaalsContact SG-CG2 3.52Å; C234-Q537 PolarHBondContact SG-NE2 2.76Å
235D96Very high94.2Very high79 Ų7953.4 Ų53.442%0.42227%0.274SS..Hα-helixtrans-65.1-43.2178.9-69.3-24.1000111.9S231 F233 R238 L239S231-D235 PolarHBondContact O-N 3.47Å; S231-D235 VanDerWaalsContact O-N 3.07Å; F233-D235 VanDerWaalsContact C-N 3.31Å; F233-D235 PolarHBondContact O-N 3.04Å; D235-R238 PolarHBondContact O-N 3.35Å; D235-R238 IonicContact OD1-NH1 2.75Å; D235-L239 WeakPolarHBondContact O-CB 3.31Å; D235-L239 VanDerWaalsContact O-CG 3.27Å; D235-L239 WeakPolarHBondContact O-CG 3.36Å; D235-L239 PolarHBondContact O-N 3.31Å
236T97.1Very high94Very high37 Ų3760.2 Ų60.223%0.22730%0.304CS..Hα-helixtrans-61.5-46.2177.2-60.50000111.3A121 I125 S232 F233 L239 F240A121-T236 HydrophobicContact CB-CG2 4.34Å; I125-T236 HydrophobicContact CD1-CG2 4.21Å; I125-T236 HydrophobicContact CG1-CG2 4.25Å; S232-T236 VanDerWaalsContact O-CB 3.27Å; S232-T236 WeakPolarHBondContact O-CB 3.42Å; S232-T236 PolarHBondContact O-N 3.38Å; S232-T236 PolarHBondContact O-OG1 3.45Å; F233-T236 PolarHBondContact O-N 2.73Å; T236-L239 PolarHBondContact O-N 3.35Å; T236-F240 VanDerWaalsContact O-CB 3.27Å; T236-F240 WeakPolarHBondContact O-CB 3.23Å; T236-F240 PolarHBondContact O-N 2.9Å
237V97Very high94Very high0 Ų060.2 Ų60.20%030%0.304CS..Hα-helixtrans-62.9-43.4177.7172.90000111V96 L118 F233 C234 F240 Q241 M249 P251V96-V237 HydrophobicContact CG2-CG1 3.79Å; V96-V237 HydrophobicContact CG2-CG2 4.5Å; L118-V237 HydrophobicContact CD1-CG2 4.38Å; F233-V237 HydrophobicContact CD2-CG2 4.23Å; F233-V237 HydrophobicContact CE1-CG2 4.31Å; F233-V237 HydrophobicContact CE2-CG2 3.88Å; F233-V237 HydrophobicContact CZ-CG2 3.92Å; F233-V237 VanDerWaalsContact O-CG2 3.31Å; F233-V237 WeakPolarHBondContact O-CG2 3.36Å; F233-V237 PolarHBondContact O-N 3.42Å; C234-V237 PolarHBondContact O-N 2.88Å; V237-F240 PolarHBondContact O-N 3.04Å; V237-Q241 PolarHBondContact O-N 3.05Å; V237-M249 HydrophobicContact CG1-CB 3.74Å; V237-M249 HydrophobicContact CG1-SD 4.02Å; V237-P251 HydrophobicContact CB-CB 4.16Å; V237-P251 HydrophobicContact CB-CG 4.48Å; V237-P251 HydrophobicContact CG1-CB 3.96Å; V237-P251 HydrophobicContact CG1-CG 4.08Å
238R94.8Very high94.2Very high119 Ų11960.5 Ų60.545%0.44930%0.304SS..Hα-helixtrans-64-43.6177.9-73.5170.5-175.8165.62.2112.3C234 D235 F240 Q241 K242C234-R238 WeakPolarHBondContact O-CB 3.35Å; C234-R238 VanDerWaalsContact O-CG 3.23Å; C234-R238 WeakPolarHBondContact O-CG 3.37Å; C234-R238 PolarHBondContact O-N 3.28Å; D235-R238 PolarHBondContact O-N 3.35Å; D235-R238 IonicContact OD1-NH1 2.75Å; R238-F240 VanDerWaalsContact C-N 3.34Å; R238-Q241 PolarHBondContact O-N 3.3Å; R238-K242 WeakPolarHBondContact O-CG 3.44Å; R238-K242 PolarHBondContact O-N 3.2Å
239L95.4Very high94.3Very high106 Ų10653.9 Ų53.956%0.55528%0.279SS*.Hα-helixtrans-62.9-43.4175.1-72.4169.6000110.9D235 T236 Q241 K242 S243D235-L239 WeakPolarHBondContact O-CB 3.31Å; D235-L239 VanDerWaalsContact O-CG 3.27Å; D235-L239 WeakPolarHBondContact O-CG 3.36Å; D235-L239 PolarHBondContact O-N 3.31Å; T236-L239 PolarHBondContact O-N 3.35Å; L239-Q241 PolarHBondContact O-N 3.48Å; L239-K242 WeakPolarHBondContact O-CB 3.24Å; L239-K242 PolarHBondContact O-N 3.11Å; L239-S243 PolarHBondContact O-N 3.19Å; L239-S243 VanDerWaalsContact O-N 3.11Å; L239-S243 PolarHBondContact O-OG 3.38Å
240F96Very high94.3Very high33 Ų3355 Ų5515%0.14528%0.284CS..Hα-helixtrans-62.7-40.8177.8-163.2-80.6000112L114 K117 L118 A121 T236 V237 R238 S243 N244 M249L114-F240 HydrophobicContact CD2-CE1 3.85Å; L114-F240 HydrophobicContact CG-CE1 3.99Å; L114-F240 HydrophobicContact CG-CZ 4.47Å; K117-F240 HydrophobicContact CB-CE2 4.26Å; K117-F240 HydrophobicContact CB-CZ 3.93Å; L118-F240 HydrophobicContact CB-CD1 4.28Å; L118-F240 HydrophobicContact CB-CE1 3.9Å; L118-F240 HydrophobicContact CB-CE2 4.31Å; L118-F240 HydrophobicContact CB-CZ 3.92Å; L118-F240 HydrophobicContact CD1-CB 3.97Å; L118-F240 HydrophobicContact CD1-CD1 3.84Å; L118-F240 HydrophobicContact CD1-CD2 4.11Å; L118-F240 HydrophobicContact CD1-CE1 4.33Å; L118-F240 HydrophobicContact CD1-CG 3.7Å; A121-F240 HydrophobicContact CB-CD2 4.29Å; A121-F240 HydrophobicContact CB-CE2 4.45Å; T236-F240 VanDerWaalsContact O-CB 3.27Å; T236-F240 WeakPolarHBondContact O-CB 3.23Å; T236-F240 PolarHBondContact O-N 2.9Å; V237-F240 PolarHBondContact O-N 3.04Å; R238-F240 VanDerWaalsContact C-N 3.34Å; F240-S243 PolarHBondContact O-N 3.23Å; F240-N244 WeakPolarHBondContact CD1-ND2 3.27Å; F240-N244 WeakPolarHBondContact CE1-ND2 3.42Å; F240-N244 PolarHBondContact O-N 2.83Å; F240-N244 PolarHBondContact O-ND2 2.67Å; F240-M249 HydrophobicContact CD1-CE 3.45Å; F240-M249 VanDerWaalsContact CD1-CE 3.45Å; F240-M249 HydrophobicContact CD1-SD 4.06Å; F240-M249 HydrophobicContact CE1-CE 3.78Å
241Q94.4Very high94.3Very high59 Ų5955.3 Ų55.328%0.27629%0.286SS..Hα-helixtrans-61.8-44.5173-180-179.7-59.600111.7V237 R238 L239 S243 N244 M249V237-Q241 PolarHBondContact O-N 3.05Å; R238-Q241 PolarHBondContact O-N 3.3Å; L239-Q241 PolarHBondContact O-N 3.48Å; Q241-S243 PolarHBondContact O-N 2.97Å; Q241-N244 CarbonylContact O-C 3.58Å; Q241-N244 PolarHBondContact O-N 2.95Å; Q241-M249 HydrophobicContact CB-CB 4.38Å; Q241-M249 HydrophobicContact CB-CG 4.31Å; Q241-M249 HydrophobicContact CB-SD 4.31Å; Q241-M249 PolarHBondContact OE1-O 2.94Å
242K94.1Very high94.3Very high169 Ų16955.1 Ų55.174%0.73528%0.28SS*.Hα-helixtrans-58.2-38178-74.4176.9-179.6-178.70112.1R238 L239 N244R238-K242 WeakPolarHBondContact O-CG 3.44Å; R238-K242 PolarHBondContact O-N 3.2Å; L239-K242 WeakPolarHBondContact O-CB 3.24Å; L239-K242 PolarHBondContact O-N 3.11Å; K242-N244 VanDerWaalsContact C-N 3.29Å; K242-N244 PolarHBondContact O-N 3.01Å
243S94.2Very high94.1Very high101 Ų10154.2 Ų54.271%0.70627%0.274SS*.Hα-helixtrans-74-16.2175.4-59.60000114L239 F240 Q241L239-S243 PolarHBondContact O-N 3.19Å; L239-S243 VanDerWaalsContact O-N 3.11Å; L239-S243 PolarHBondContact O-OG 3.38Å; F240-S243 PolarHBondContact O-N 3.23Å; Q241-S243 PolarHBondContact O-N 2.97Å
244N92.3Very high93.7Very high48 Ų4855.8 Ų55.826%0.25729%0.285SS..  trans-128.175.6-175.3-64.7-85.9000111L114 F240 Q241 K242 K246 V247L114-N244 HydrophobicContact CD1-CB 3.92Å; L114-N244 WeakPolarHBondContact CD1-OD1 3.45Å; F240-N244 WeakPolarHBondContact CD1-ND2 3.27Å; F240-N244 WeakPolarHBondContact CE1-ND2 3.42Å; F240-N244 PolarHBondContact O-N 2.83Å; F240-N244 PolarHBondContact O-ND2 2.67Å; Q241-N244 CarbonylContact O-C 3.58Å; Q241-N244 PolarHBondContact O-N 2.95Å; K242-N244 VanDerWaalsContact C-N 3.29Å; K242-N244 PolarHBondContact O-N 3.01Å; N244-K246 PolarHBondContact O-N 3.38Å; N244-V247 HydrophobicContact CB-CG2 3.84Å; N244-V247 VanDerWaalsContact O-CG2 3.27Å; N244-V247 WeakPolarHBondContact O-CG2 3.31Å; N244-V247 PolarHBondContact O-N 3.31Å
245S83.2Confident93.4Very high102 Ų10255.5 Ų55.571%0.71328%0.283SS*.THydrogen-bonded Turntrans-63.6-11.3-171.9590000116.4F101F101-S245 WeakPolarHBondContact CD2-O 3.48Å; F101-S245 VanDerWaalsContact CE2-O 3.26Å; F101-S245 WeakPolarHBondContact CE2-O 3.4Å
246K86.5Confident93.1Very high143 Ų14351.9 Ų51.962%0.62226%0.264SS*.THydrogen-bonded Turntrans-83.4-15179.1-65.1-175.7-178.7-179.30114F101 N244F101-K246 WeakPolarHBondContact CD2-O 3.27Å; F101-K246 PolarHBondContact N-O 3.26Å; N244-K246 PolarHBondContact O-N 3.38Å
247V93Very high92.8Very high1 Ų150.8 Ų50.81%0.00626%0.257CS..EExtended strand (participates in β ladder)trans-116.5150.2-178.4-65.50000110.9T99 F101 L114 N244 M249T99-V247 CarbonylContact O-C 3.48Å; T99-V247 VanDerWaalsContact O-CA 3.32Å; T99-V247 WeakPolarHBondContact O-CA 3.28Å; T99-V247 WeakPolarHBondContact O-CB 3.49Å; F101-V247 VanDerWaalsContact CE2-O 3.28Å; F101-V247 WeakPolarHBondContact CE2-O 3.32Å; L114-V247 HydrophobicContact CD1-CG1 4.12Å; L114-V247 HydrophobicContact CD1-CG2 4.06Å; L114-V247 HydrophobicContact CD2-CG1 4.27Å; L114-V247 HydrophobicContact CD2-CG2 4.01Å; N244-V247 HydrophobicContact CB-CG2 3.84Å; N244-V247 VanDerWaalsContact O-CG2 3.27Å; N244-V247 WeakPolarHBondContact O-CG2 3.31Å; N244-V247 PolarHBondContact O-N 3.31Å; V247-M249 HydrophobicContact CG2-CE 3.65Å
248K94.8Very high92.4Very high65 Ų6552.6 Ų52.628%0.28326%0.263SS..EExtended strand (participates in β ladder)trans-113.9135.5171.6-168.2166.3175.6-158.50108.8T99 F101 Y250T99-K248 PolarHBondContact N-O 3.46Å; T99-K248 PolarHBondContact O-N 3.31Å; F101-K248 HydrophobicContact CE1-CB 4.09Å; F101-K248 HydrophobicContact CE1-CD 3.78Å; F101-K248 HydrophobicContact CE1-CG 4.31Å; F101-K248 HydrophobicContact CE2-CB 4.08Å; F101-K248 HydrophobicContact CZ-CB 3.82Å; F101-K248 HydrophobicContact CZ-CD 4.1Å; F101-K248 HydrophobicContact CZ-CG 4.14Å; K248-Y250 HydrophobicContact CB-CE2 4.45Å; K248-Y250 HydrophobicContact CD-CE1 4.09Å; K248-Y250 HydrophobicContact CD-CE2 4.33Å; K248-Y250 WeakPolarHBondContact CD-OH 3.32Å; K248-Y250 VanDerWaalsContact CE-CE1 3.4Å; K248-Y250 VanDerWaalsContact CE-CZ 3.47Å; K248-Y250 WeakPolarHBondContact CE-OH 3.23Å; K248-Y250 HydrophobicContact CG-CE1 4.22Å; K248-Y250 HydrophobicContact CG-CE2 4.02Å; K248-Y250 PolarHBondContact NZ-OH 3.12Å
249M96.5Very high92.3Very high4 Ų451 Ų512%0.0226%0.261CS..EExtended strand (participates in β ladder)trans-125.4133-176.4-58.6-173.3179.400109.6V96 I97 V98 L114 L118 V237 F240 Q241 V247 P251V96-M249 HydrophobicContact CG2-CB 4.04Å; I97-M249 CarbonylContact O-C 3.57Å; I97-M249 VanDerWaalsContact O-CA 3.31Å; I97-M249 WeakPolarHBondContact O-CA 3.48Å; V98-M249 HydrophobicContact CG1-CE 4.31Å; V98-M249 HydrophobicContact CG1-CG 4.42Å; V98-M249 HydrophobicContact CG2-CG 4.34Å; L114-M249 HydrophobicContact CD2-CE 3.73Å; L118-M249 HydrophobicContact CD1-SD 4.21Å; L118-M249 HydrophobicContact CD2-CE 4.01Å; L118-M249 HydrophobicContact CD2-SD 3.87Å; V237-M249 HydrophobicContact CG1-CB 3.74Å; V237-M249 HydrophobicContact CG1-SD 4.02Å; F240-M249 HydrophobicContact CD1-CE 3.45Å; F240-M249 VanDerWaalsContact CD1-CE 3.45Å; F240-M249 HydrophobicContact CD1-SD 4.06Å; F240-M249 HydrophobicContact CE1-CE 3.78Å; Q241-M249 HydrophobicContact CB-CB 4.38Å; Q241-M249 HydrophobicContact CB-CG 4.31Å; Q241-M249 HydrophobicContact CB-SD 4.31Å; Q241-M249 PolarHBondContact OE1-O 2.94Å; V247-M249 HydrophobicContact CG2-CE 3.65Å; M249-P251 WeakPolarHBondContact O-CD 3.15Å
250Y95.6Very high92.1Very high24 Ų2446.6 Ų46.69%0.09424%0.238CC..EExtended strand (participates in β ladder)trans-115.988.5179.1-52.9-87.3000108.1V96 I97 T99 K248 E540 A544V96-Y250 WeakPolarHBondContact CA-O 3.28Å; I97-Y250 HydrophobicContact CB-CD2 4.12Å; I97-Y250 HydrophobicContact CG2-CD2 4.16Å; I97-Y250 PolarHBondContact N-O 2.95Å; I97-Y250 VanDerWaalsContact N-O 3.08Å; I97-Y250 PolarHBondContact O-N 3.29Å; T99-Y250 HydrophobicContact CG2-CE2 4.03Å; K248-Y250 HydrophobicContact CB-CE2 4.45Å; K248-Y250 HydrophobicContact CD-CE1 4.09Å; K248-Y250 HydrophobicContact CD-CE2 4.33Å; K248-Y250 WeakPolarHBondContact CD-OH 3.32Å; K248-Y250 VanDerWaalsContact CE-CE1 3.4Å; K248-Y250 VanDerWaalsContact CE-CZ 3.47Å; K248-Y250 WeakPolarHBondContact CE-OH 3.23Å; K248-Y250 HydrophobicContact CG-CE1 4.22Å; K248-Y250 HydrophobicContact CG-CE2 4.02Å; K248-Y250 PolarHBondContact NZ-OH 3.12Å; Y250-E540 HydrophobicContact CD1-CB 4.04Å; Y250-E540 HydrophobicContact CE1-CB 4.47Å; Y250-A544 HydrophobicContact CD1-CB 4.18Å; Y250-A544 HydrophobicContact CD2-CB 3.79Å; Y250-A544 HydrophobicContact CE1-CB 4.27Å; Y250-A544 HydrophobicContact CE2-CB 3.91Å; Y250-A544 HydrophobicContact CG-CB 3.91Å
251P96Very high91.9Very high8 Ų845 Ų455%0.05223%0.231CC..EExtended strand (participates in β ladder)trans-67.4150.3173.627-31000110.3R95 F233 V237 M249 Q537R95-P251 CarbonylContact O-C 3.59Å; R95-P251 WeakPolarHBondContact O-CA 3.4Å; F233-P251 HydrophobicContact CE1-CB 4.29Å; V237-P251 HydrophobicContact CB-CB 4.16Å; V237-P251 HydrophobicContact CB-CG 4.48Å; V237-P251 HydrophobicContact CG1-CB 3.96Å; V237-P251 HydrophobicContact CG1-CG 4.08Å; M249-P251 WeakPolarHBondContact O-CD 3.15Å; P251-Q537 WeakPolarHBondContact O-CG 3.26Å; P251-Q537 PolarHBondContact O-NE2 3.32Å; P251-Q537 VanDerWaalsContact O-NE2 3.16Å
252Y93.3Very high91.8Very high28 Ų2843 Ų4311%0.1122%0.222CC..EExtended strand (participates in β ladder)trans-153.6143.5171.7-175.7-97.8000109.2Y93 G94 R95 T538 Y541Y93-Y252 AromaticContact CE2-CD1 4Å; Y93-Y252 HydrophobicContact CE2-CD1 4Å; Y93-Y252 HydrophobicContact CE2-CE1 4.16Å; G94-Y252 CarbonylContact C-O 3.55Å; R95-Y252 PolarHBondContact N-O 2.79Å; R95-Y252 PolarHBondContact O-N 3.14Å; R95-Y252 VanDerWaalsContact O-O 3.13Å; Y252-T538 HydrophobicContact CE2-CG2 4.15Å; Y252-Y541 VanDerWaalsContact CB-CG 3.42Å; Y252-Y541 HydrophobicContact CD1-CD1 4.19Å; Y252-Y541 HydrophobicContact CD1-CE1 4.12Å; Y252-Y541 AromaticContact CD2-CD1 3.93Å; Y252-Y541 HydrophobicContact CD2-CD1 3.93Å; Y252-Y541 AromaticContact CD2-CG 3.99Å; Y252-Y541 HydrophobicContact CD2-CG 3.99Å; Y252-Y541 AromaticContact CG-CD1 3.72Å; Y252-Y541 HydrophobicContact CG-CD1 3.72Å; Y252-Y541 HydrophobicContact CG-CD2 4.14Å; Y252-Y541 HydrophobicContact CG-CE1 4.07Å; Y252-Y541 HydrophobicContact CG-CE2 4.41Å; Y252-Y541 AromaticContact CG-CG 3.77Å; Y252-Y541 HydrophobicContact CG-CG 3.77Å
253T93.1Very high91.7Very high2 Ų238.7 Ų38.71%0.01220%0.203CC..EExtended strand (participates in β ladder)trans-135.4165.5-178.462.20000110.5Y93 E230 F233 C234 S255 S256Y93-T253 WeakPolarHBondContact O-CA 3.44Å; Y93-T253 WeakPolarHBondContact O-CB 3.45Å; E230-T253 HydrophobicContact CB-CG2 3.88Å; E230-T253 HydrophobicContact CG-CG2 4.12Å; F233-T253 HydrophobicContact CD1-CG2 3.76Å; F233-T253 HydrophobicContact CE1-CG2 4.26Å; C234-T253 VanDerWaalsContact SG-CG2 3.52Å; T253-S255 PolarHBondContact O-N 3.37Å; T253-S256 PolarHBondContact N-OG 3.4Å; T253-S256 WeakPolarHBondContact O-CB 3.21Å; T253-S256 PolarHBondContact O-N 3.16Å; T253-S256 PolarHBondContact O-OG 3.05Å; T253-S256 PolarHBondContact OG1-N 3.2Å; T253-S256 PolarHBondContact OG1-OG 3.41Å
254S87.6Confident91.6Very high33 Ų3333.9 Ų33.923%0.23117%0.169CC..THydrogen-bonded Turntrans-57.9-32.9175.776.80000112.6G91 Y93 E230G91-S254 WeakPolarHBondContact O-CB 3.43Å; Y93-S254 PolarHBondContact O-N 3.28Å; Y93-S254 VanDerWaalsContact O-N 3.12Å; E230-S254 VanDerWaalsContact CD-OG 3.27Å; E230-S254 WeakPolarHBondContact OE1-CB 3.26Å; E230-S254 PolarHBondContact OE1-N 2.82Å; E230-S254 PolarHBondContact OE1-OG 3.42Å; E230-S254 PolarHBondContact OE2-OG 3.11Å
255S89.5Confident91.7Very high5 Ų532.4 Ų32.44%0.03516%0.163CC..THydrogen-bonded Turntrans-80.5-15.8177-58.40000114.7R92 E230 T253 L257 R258 E259R92-S255 PolarHBondContact NH1-OG 3.27Å; R92-S255 VanDerWaalsContact NH1-OG 3.12Å; E230-S255 WeakPolarHBondContact OE2-CB 3.49Å; E230-S255 PolarHBondContact OE2-N 3.32Å; E230-S255 PolarHBondContact OE2-OG 3.07Å; T253-S255 PolarHBondContact O-N 3.37Å; S255-L257 PolarHBondContact O-N 2.86Å; S255-R258 PolarHBondContact O-N 2.89Å; S255-E259 WeakPolarHBondContact O-CG 3.18Å; S255-E259 PolarHBondContact O-N 2.82Å
256S91.2Very high92.1Very high2 Ų236.2 Ų36.21%0.01416%0.162CC..Hα-helixtrans-59.4-45-171.4-690000112.9T253 R258 E259 D260 Q537T253-S256 PolarHBondContact N-OG 3.4Å; T253-S256 WeakPolarHBondContact O-CB 3.21Å; T253-S256 PolarHBondContact O-N 3.16Å; T253-S256 PolarHBondContact O-OG 3.05Å; T253-S256 PolarHBondContact OG1-N 3.2Å; T253-S256 PolarHBondContact OG1-OG 3.41Å; S256-R258 PolarHBondContact O-N 2.85Å; S256-E259 PolarHBondContact O-N 3.36Å; S256-D260 VanDerWaalsContact O-CB 3.31Å; S256-D260 WeakPolarHBondContact O-CB 3.38Å; S256-D260 VanDerWaalsContact O-CG 3.27Å; S256-D260 PolarHBondContact O-N 2.86Å; S256-Q537 PolarHBondContact OG-NE2 2.97Å
257L89.7Confident92.5Very high15 Ų1531.4 Ų31.48%0.07914%0.144CC..Hα-helixtrans-62.4-43.8179.5176.165.1000111.9V52 S255 D260 F261 L528 V532 T538V52-L257 HydrophobicContact CB-CD2 4.16Å; V52-L257 HydrophobicContact CB-CG 4.44Å; V52-L257 HydrophobicContact CG1-CD2 3.92Å; V52-L257 HydrophobicContact CG1-CG 4.24Å; V52-L257 HydrophobicContact CG2-CG 4.3Å; S255-L257 PolarHBondContact O-N 2.86Å; L257-D260 PolarHBondContact O-N 2.83Å; L257-F261 VanDerWaalsContact O-CB 3.28Å; L257-F261 WeakPolarHBondContact O-CB 3.31Å; L257-F261 PolarHBondContact O-N 2.87Å; L257-L528 HydrophobicContact CD1-CB 4.08Å; L257-L528 HydrophobicContact CD2-CB 4.45Å; L257-L528 HydrophobicContact CD2-CD1 3.78Å; L257-V532 HydrophobicContact CD1-CG1 3.89Å; L257-T538 HydrophobicContact CD1-CG2 4.02Å
258R89.9Confident92.6Very high37 Ų3731.4 Ų31.414%0.1414%0.144CC..Hα-helixtrans-60.8-48.3176.8176.5-173.267.7162.22110.8E50 V52 E227 S255 S256 F261 Q262E50-R258 WeakPolarHBondContact O-CD 3.21Å; E50-R258 WeakPolarHBondContact O-CG 3.27Å; E50-R258 IonicContact OE1-NH1 2.87Å; E50-R258 IonicContact OE2-NH1 3.79Å; V52-R258 HydrophobicContact CG2-CB 4.21Å; E227-R258 IonicContact OE1-CZ 3.3Å; E227-R258 IonicContact OE1-NH1 2.76Å; E227-R258 IonicContact OE1-NH2 2.77Å; E227-R258 PolarHBondContact OE1-NH2 2.77Å; E227-R258 IonicContact OE2-NH2 3.46Å; S255-R258 PolarHBondContact O-N 2.89Å; S256-R258 PolarHBondContact O-N 2.85Å; R258-F261 PolarHBondContact O-N 2.9Å; R258-Q262 VanDerWaalsContact O-CG 3.32Å; R258-Q262 WeakPolarHBondContact O-CG 3.19Å; R258-Q262 PolarHBondContact O-N 3.31Å
259E90.9Very high92.6Very high86 Ų8634.4 Ų34.440%0.40216%0.159SC..Hα-helixtrans-61.8-44.7178.8-72.6176.8-164.300111.9S255 S256 Q262 K263S255-E259 WeakPolarHBondContact O-CG 3.18Å; S255-E259 PolarHBondContact O-N 2.82Å; S256-E259 PolarHBondContact O-N 3.36Å; E259-Q262 PolarHBondContact O-N 2.96Å; E259-K263 VanDerWaalsContact O-CB 3.22Å; E259-K263 WeakPolarHBondContact O-CB 3.41Å; E259-K263 PolarHBondContact O-N 3.42Å
260D92.3Very high92.6Very high13 Ų1344 Ų447%0.0720%0.195CC..Hα-helixtrans-68.9-35-179.7-73.8-29.8000112.3S256 L257 K263 T264 V532 T536 Q537 T538S256-D260 VanDerWaalsContact O-CB 3.31Å; S256-D260 WeakPolarHBondContact O-CB 3.38Å; S256-D260 VanDerWaalsContact O-CG 3.27Å; S256-D260 PolarHBondContact O-N 2.86Å; L257-D260 PolarHBondContact O-N 2.83Å; D260-K263 WeakPolarHBondContact O-CB 3.16Å; D260-K263 PolarHBondContact O-N 3.13Å; D260-T264 PolarHBondContact O-N 2.99Å; D260-V532 HydrophobicContact CB-CB 4.13Å; D260-V532 HydrophobicContact CB-CG1 4.04Å; D260-T536 HydrophobicContact CB-CG2 3.8Å; D260-T536 WeakPolarHBondContact OD1-CB 3.25Å; D260-T536 VanDerWaalsContact OD1-CG2 3.29Å; D260-T536 WeakPolarHBondContact OD1-CG2 3.42Å; D260-T536 WeakPolarHBondContact OD2-CB 3.3Å; D260-Q537 PolarHBondContact OD2-N 2.96Å; D260-T538 VanDerWaalsContact OD2-CB 3.22Å; D260-T538 WeakPolarHBondContact OD2-CB 3.14Å; D260-T538 PolarHBondContact OD2-N 3.1Å; D260-T538 PolarHBondContact OD2-OG1 3.37Å
261F92Very high92.7Very high0 Ų046.3 Ų46.30%020%0.204CC..Hα-helixtrans-65.2-44.4172.7-178.7-115.1000111.7V52 L55 L257 R258 T264 N326 S327 T328 I531 V532 L819V52-F261 HydrophobicContact CG2-CB 4.43Å; V52-F261 HydrophobicContact CG2-CD1 4.38Å; L55-F261 HydrophobicContact CD1-CE1 4.01Å; L257-F261 VanDerWaalsContact O-CB 3.28Å; L257-F261 WeakPolarHBondContact O-CB 3.31Å; L257-F261 PolarHBondContact O-N 2.87Å; R258-F261 PolarHBondContact O-N 2.9Å; F261-T264 VanDerWaalsContact O-CB 3.29Å; F261-T264 WeakPolarHBondContact O-CB 3.44Å; F261-T264 PolarHBondContact O-N 2.88Å; F261-T264 PolarHBondContact O-OG1 2.77Å; F261-N326 HydrophobicContact CE1-CB 4.27Å; F261-S327 WeakPolarHBondContact O-CB 3.43Å; F261-S327 PolarHBondContact O-OG 2.86Å; F261-T328 HydrophobicContact CZ-CG2 4.09Å; F261-I531 HydrophobicContact CD2-CB 4.16Å; F261-I531 HydrophobicContact CD2-CD1 3.97Å; F261-I531 HydrophobicContact CD2-CG1 4.2Å; F261-I531 WeakPolarHBondContact CD2-O 3.49Å; F261-I531 HydrophobicContact CE2-CB 4.14Å; F261-I531 HydrophobicContact CE2-CD1 4.26Å; F261-V532 HydrophobicContact CB-CG1 4.29Å; F261-L819 HydrophobicContact CE2-CD1 3.84Å
262Q91.3Very high92.7Very high18 Ų1848.3 Ų48.38%0.08421%0.214CC..Hα-helixtrans-73.8-27.1177.1-63.4-63.6-19.300112.7V48 E49 R258 E259 T264 S265V48-Q262 HydrophobicContact CG1-CG 4.06Å; E49-Q262 PolarHBondContact O-NE2 3.34Å; R258-Q262 VanDerWaalsContact O-CG 3.32Å; R258-Q262 WeakPolarHBondContact O-CG 3.19Å; R258-Q262 PolarHBondContact O-N 3.31Å; E259-Q262 PolarHBondContact O-N 2.96Å; Q262-T264 PolarHBondContact O-N 2.54Å; Q262-S265 PolarHBondContact O-N 3.24Å
263K92.6Very high92.8Very high77 Ų7750.7 Ų50.734%0.33523%0.232SC..Hα-helixtrans-61.4-31.6174-175.9-177.6178.9-170.60111.6E259 D260 S265 R266 V267 A535 T536E259-K263 VanDerWaalsContact O-CB 3.22Å; E259-K263 WeakPolarHBondContact O-CB 3.41Å; E259-K263 PolarHBondContact O-N 3.42Å; D260-K263 WeakPolarHBondContact O-CB 3.16Å; D260-K263 PolarHBondContact O-N 3.13Å; K263-S265 VanDerWaalsContact C-N 3.3Å; K263-S265 PolarHBondContact O-N 3.05Å; K263-R266 PolarHBondContact O-N 3.17Å; K263-R266 VanDerWaalsContact O-N 3.16Å; K263-V267 HydrophobicContact CG-CG2 3.94Å; K263-V267 WeakPolarHBondContact O-CB 3.37Å; K263-V267 WeakPolarHBondContact O-CG2 3.34Å; K263-V267 PolarHBondContact O-N 3.45Å; K263-A535 PolarHBondContact NZ-O 2.85Å; K263-T536 HydrophobicContact CD-CG2 4.14Å
264T93.1Very high93Very high0 Ų053.7 Ų53.70%025%0.25CS..Hα-helixtrans-49.8-49.7173.1-65.10000111.7D260 F261 Q262 R266 V267 S268 L330 A533 S817 L819 T820D260-T264 PolarHBondContact O-N 2.99Å; F261-T264 VanDerWaalsContact O-CB 3.29Å; F261-T264 WeakPolarHBondContact O-CB 3.44Å; F261-T264 PolarHBondContact O-N 2.88Å; F261-T264 PolarHBondContact O-OG1 2.77Å; Q262-T264 PolarHBondContact O-N 2.54Å; T264-R266 PolarHBondContact O-N 2.86Å; T264-V267 PolarHBondContact O-N 3.45Å; T264-S268 WeakPolarHBondContact O-CB 3.47Å; T264-S268 PolarHBondContact O-N 2.71Å; T264-L330 HydrophobicContact CG2-CD1 3.75Å; T264-A533 PolarHBondContact OG1-N 3.26Å; T264-S817 WeakPolarHBondContact CG2-OG 3.38Å; T264-S817 PolarHBondContact OG1-OG 3.05Å; T264-L819 HydrophobicContact CG2-CB 4.16Å; T264-L819 HydrophobicContact CG2-CD1 4.48Å; T264-L819 HydrophobicContact CG2-CD2 4.16Å; T264-T820 HydrophobicContact CG2-CG2 4.19Å
265S93Very high93.5Very high17 Ų1752.5 Ų52.512%0.11924%0.242CC..Hα-helixtrans-64.2-42.3179.8-60.40000112.6Q262 K263 V267 S268 E269 Y325 S327Q262-S265 PolarHBondContact O-N 3.24Å; K263-S265 VanDerWaalsContact C-N 3.3Å; K263-S265 PolarHBondContact O-N 3.05Å; S265-V267 PolarHBondContact O-N 3.23Å; S265-S268 PolarHBondContact O-N 2.8Å; S265-S268 PolarHBondContact O-OG 3.45Å; S265-E269 PolarHBondContact O-N 2.9Å; S265-Y325 WeakPolarHBondContact CB-OH 3.25Å; S265-Y325 PolarHBondContact OG-OH 3.3Å; S265-S327 PolarHBondContact OG-OG 3.18Å
266R92.8Very high93.9Very high182 Ų18256.9 Ų56.969%0.68726%0.264SS*.Hα-helixtrans-63.7-41.5178.2-59.9-178.4-166.1155.24.8112.3K263 T264 S268 E269K263-R266 PolarHBondContact O-N 3.17Å; K263-R266 VanDerWaalsContact O-N 3.16Å; T264-R266 PolarHBondContact O-N 2.86Å; R266-S268 VanDerWaalsContact C-N 3.3Å; R266-S268 PolarHBondContact O-N 2.91Å; R266-E269 WeakPolarHBondContact O-CB 3.2Å; R266-E269 PolarHBondContact O-N 3.25Å
267V94.3Very high94.2Very high42 Ų4261.5 Ų61.526%0.25529%0.288SS..Hα-helixtrans-69.2-32178.6171.20000111.2K263 T264 S265 E269 Y271 V815 P816K263-V267 HydrophobicContact CG-CG2 3.94Å; K263-V267 WeakPolarHBondContact O-CB 3.37Å; K263-V267 WeakPolarHBondContact O-CG2 3.34Å; K263-V267 PolarHBondContact O-N 3.45Å; T264-V267 PolarHBondContact O-N 3.45Å; S265-V267 PolarHBondContact O-N 3.23Å; V267-E269 VanDerWaalsContact C-N 3.33Å; V267-E269 PolarHBondContact O-N 3.16Å; V267-Y271 WeakPolarHBondContact O-CD2 3.46Å; V267-V815 HydrophobicContact CG1-CG1 4.25Å; V267-P816 HydrophobicContact CG1-CG 3.6Å
268S95.1Very high94.6Very high1 Ų163.8 Ų63.81%0.00730%0.3CS..Hα-helixtrans-72.8-21178.2760000114.3T264 S265 R266 R270 Y271 L272 L330T264-S268 WeakPolarHBondContact O-CB 3.47Å; T264-S268 PolarHBondContact O-N 2.71Å; S265-S268 PolarHBondContact O-N 2.8Å; S265-S268 PolarHBondContact O-OG 3.45Å; R266-S268 VanDerWaalsContact C-N 3.3Å; R266-S268 PolarHBondContact O-N 2.91Å; S268-R270 PolarHBondContact O-N 2.92Å; S268-Y271 WeakPolarHBondContact O-CB 3.45Å; S268-Y271 PolarHBondContact O-N 3.41Å; S268-L272 WeakPolarHBondContact O-CG 3.4Å; S268-L272 PolarHBondContact O-N 2.85Å; S268-L330 WeakPolarHBondContact OG-CD2 3.48Å
269E94.8Very high95Very high129 Ų12962.2 Ų62.260%0.60329%0.294SS*.Hα-helixtrans-49.9-52-170.9-175.3-175.717100113.1S265 R266 V267 Y271 L272 V273S265-E269 PolarHBondContact O-N 2.9Å; R266-E269 WeakPolarHBondContact O-CB 3.2Å; R266-E269 PolarHBondContact O-N 3.25Å; V267-E269 VanDerWaalsContact C-N 3.33Å; V267-E269 PolarHBondContact O-N 3.16Å; E269-Y271 VanDerWaalsContact C-N 3.3Å; E269-Y271 PolarHBondContact O-N 3.33Å; E269-L272 PolarHBondContact O-N 2.98Å; E269-V273 WeakPolarHBondContact O-CG2 3.21Å; E269-V273 PolarHBondContact O-N 3.48Å
270R95.8Very high95.3Very high205 Ų20559.8 Ų59.877%0.77429%0.285SS*.Hα-helixtrans-61.9-38.6-179-64.6-178.8-177.2178.4-0.2112.3S268 V273 T274S268-R270 PolarHBondContact O-N 2.92Å; R270-V273 PolarHBondContact O-N 3.3Å; R270-T274 PolarHBondContact O-N 3.01Å; R270-T274 PolarHBondContact O-OG1 2.97Å; R270-T274 VanDerWaalsContact O-OG1 3.1Å
271Y97.4Very high95.6Very high73 Ų7362.3 Ų62.329%0.28630%0.301SS..Hα-helixtrans-73.4-34.5-179.7-60.7-93.6000111.9V267 S268 E269 T274 S275 P811 A814 V815V267-Y271 WeakPolarHBondContact O-CD2 3.46Å; S268-Y271 WeakPolarHBondContact O-CB 3.45Å; S268-Y271 PolarHBondContact O-N 3.41Å; E269-Y271 VanDerWaalsContact C-N 3.3Å; E269-Y271 PolarHBondContact O-N 3.33Å; Y271-T274 PolarHBondContact O-N 3.23Å; Y271-S275 WeakPolarHBondContact O-CB 3.33Å; Y271-S275 PolarHBondContact O-N 3.18Å; Y271-P811 WeakPolarHBondContact CD1-O 3.35Å; Y271-P811 WeakPolarHBondContact O-CB 3.35Å; Y271-A814 HydrophobicContact CD1-CB 4.07Å; Y271-A814 HydrophobicContact CE1-CB 3.63Å; Y271-A814 WeakPolarHBondContact CE1-O 3.45Å; Y271-A814 PolarHBondContact OH-O 3.49Å; Y271-V815 HydrophobicContact CD1-CG2 4.02Å; Y271-V815 HydrophobicContact CD2-CB 4.41Å; Y271-V815 HydrophobicContact CD2-CG2 3.61Å; Y271-V815 HydrophobicContact CE2-CG2 4.27Å; Y271-V815 HydrophobicContact CG-CG2 3.45Å; Y271-V815 VanDerWaalsContact CG-CG2 3.45Å
272L96.2Very high95.8Very high50 Ų5064.3 Ų64.326%0.26231%0.311SS..Hα-helixtrans-66.3-37.8172.5-69.2176.5000111.8S268 E269 S275 L276 L330 F334 L812S268-L272 WeakPolarHBondContact O-CG 3.4Å; S268-L272 PolarHBondContact O-N 2.85Å; E269-L272 PolarHBondContact O-N 2.98Å; L272-S275 WeakPolarHBondContact O-CB 3.38Å; L272-S275 PolarHBondContact O-N 3.48Å; L272-L276 PolarHBondContact O-N 3.34Å; L272-L330 HydrophobicContact CD1-CD2 3.81Å; L272-F334 HydrophobicContact CD2-CE2 3.9Å; L272-F334 HydrophobicContact CD2-CZ 3.85Å; L272-L812 HydrophobicContact CD2-CD1 3.83Å
273V96.6Very high96.1Very high78 Ų7863.4 Ų63.447%0.47331%0.307SS..Hα-helixtrans-63.7-42.8172.1174.50000110.8E269 R270 L276 I277E269-V273 WeakPolarHBondContact O-CG2 3.21Å; E269-V273 PolarHBondContact O-N 3.48Å; R270-V273 PolarHBondContact O-N 3.3Å; V273-L276 PolarHBondContact O-N 3.28Å; V273-I277 HydrophobicContact CG1-CD1 4.15Å; V273-I277 WeakPolarHBondContact O-CG1 2.84Å; V273-I277 PolarHBondContact O-N 3.39Å
274T97.7Very high96.2Very high65 Ų6562.1 Ų62.140%0.39930%0.303SS..Hα-helixtrans-61.1-44173.2-54.70000111.9R270 Y271 L276 I277 L278 P811R270-T274 PolarHBondContact O-N 3.01Å; R270-T274 PolarHBondContact O-OG1 2.97Å; R270-T274 VanDerWaalsContact O-OG1 3.1Å; Y271-T274 PolarHBondContact O-N 3.23Å; T274-L276 VanDerWaalsContact C-N 3.34Å; T274-L276 PolarHBondContact O-N 3.27Å; T274-I277 PolarHBondContact O-N 2.83Å; T274-L278 HydrophobicContact CG2-CD1 4.07Å; T274-L278 HydrophobicContact CG2-CG 4.35Å; T274-L278 VanDerWaalsContact O-CG 3.31Å; T274-L278 WeakPolarHBondContact O-CG 3.12Å; T274-L278 PolarHBondContact O-N 2.95Å; T274-P811 HydrophobicContact CG2-CB 4.5Å; T274-P811 HydrophobicContact CG2-CG 4.1Å
275S97.6Very high96.2Very high8 Ų867.6 Ų67.66%0.05633%0.331CS..Hα-helixtrans-56.2-47.7174.9175.70000111.3Y271 L272 I277 L278 V279 G808Y271-S275 WeakPolarHBondContact O-CB 3.33Å; Y271-S275 PolarHBondContact O-N 3.18Å; L272-S275 WeakPolarHBondContact O-CB 3.38Å; L272-S275 PolarHBondContact O-N 3.48Å; S275-I277 PolarHBondContact O-N 3.26Å; S275-L278 PolarHBondContact O-N 2.96Å; S275-V279 WeakPolarHBondContact O-CB 3.46Å; S275-V279 WeakPolarHBondContact O-CG2 3.5Å; S275-V279 PolarHBondContact O-N 2.79Å; S275-G808 WeakPolarHBondContact CB-O 3.34Å; S275-G808 WeakPolarHBondContact OG-CA 3.31Å; S275-G808 PolarHBondContact OG-O 3.21Å
276L96.9Very high96.1Very high96 Ų9667.1 Ų67.150%0.50333%0.328SS..Hα-helixtrans-59.2-46.3177.3-179.562.9000112.3L272 V273 T274 L278 V279 V280L272-L276 PolarHBondContact O-N 3.34Å; V273-L276 PolarHBondContact O-N 3.28Å; T274-L276 VanDerWaalsContact C-N 3.34Å; T274-L276 PolarHBondContact O-N 3.27Å; L276-L278 PolarHBondContact O-N 3.45Å; L276-V279 PolarHBondContact O-N 3.04Å; L276-V280 HydrophobicContact CD1-CG2 4.19Å; L276-V280 WeakPolarHBondContact O-CB 3.35Å; L276-V280 VanDerWaalsContact O-CG2 3.24Å; L276-V280 WeakPolarHBondContact O-CG2 3.16Å; L276-V280 PolarHBondContact O-N 3.33Å
277I98.1Very high96Very high100 Ų10058.5 Ų58.551%0.51330%0.296SS..Hα-helixtrans-60.3-47.1178.3-67.3165.7000110.4V273 T274 S275 V280 T281V273-I277 HydrophobicContact CG1-CD1 4.15Å; V273-I277 WeakPolarHBondContact O-CG1 2.84Å; V273-I277 PolarHBondContact O-N 3.39Å; T274-I277 PolarHBondContact O-N 2.83Å; S275-I277 PolarHBondContact O-N 3.26Å; I277-V280 PolarHBondContact O-N 3.31Å; I277-T281 WeakPolarHBondContact O-CG2 3.26Å; I277-T281 PolarHBondContact O-N 3.49Å; I277-T281 PolarHBondContact O-OG1 3.47Å
278L98.3Very high95.8Very high63 Ų6358.9 Ų58.933%0.3330%0.3SS..Hα-helixtrans-65.8-38.5-178.9-69.5177.1000112.6T274 S275 L276 T281 M282 V807 P811T274-L278 HydrophobicContact CG2-CD1 4.07Å; T274-L278 HydrophobicContact CG2-CG 4.35Å; T274-L278 VanDerWaalsContact O-CG 3.31Å; T274-L278 WeakPolarHBondContact O-CG 3.12Å; T274-L278 PolarHBondContact O-N 2.95Å; S275-L278 PolarHBondContact O-N 2.96Å; L276-L278 PolarHBondContact O-N 3.45Å; L278-T281 WeakPolarHBondContact CA-OG1 3.39Å; L278-T281 PolarHBondContact O-OG1 2.97Å; L278-M282 VanDerWaalsContact O-CB 3.28Å; L278-M282 WeakPolarHBondContact O-CB 3.34Å; L278-M282 PolarHBondContact O-N 3.41Å; L278-V807 HydrophobicContact CB-CG1 3.49Å; L278-V807 VanDerWaalsContact CB-CG1 3.49Å; L278-V807 HydrophobicContact CG-CG1 4.46Å; L278-P811 HydrophobicContact CD1-CG 3.75Å
279V98.3Very high95.2Very high4 Ų460.1 Ų60.12%0.02431%0.306CS..Hα-helixtrans-67.6-42.6176170.10000110.8S275 L276 M282 A283 L304 L337S275-V279 WeakPolarHBondContact O-CB 3.46Å; S275-V279 WeakPolarHBondContact O-CG2 3.5Å; S275-V279 PolarHBondContact O-N 2.79Å; L276-V279 PolarHBondContact O-N 3.04Å; V279-M282 PolarHBondContact O-N 2.82Å; V279-A283 VanDerWaalsContact O-CB 3.25Å; V279-A283 WeakPolarHBondContact O-CB 3.47Å; V279-A283 PolarHBondContact O-N 2.78Å; V279-L304 HydrophobicContact CG1-CD1 3.77Å; V279-L304 HydrophobicContact CG1-CD2 3.47Å; V279-L304 VanDerWaalsContact CG1-CD2 3.47Å; V279-L304 HydrophobicContact CG1-CG 4.28Å; V279-L337 HydrophobicContact CG1-CD1 3.65Å; V279-L337 HydrophobicContact CG2-CD2 4.24Å
280V98.1Very high94.3Very high34 Ų3461.4 Ų61.421%0.20631%0.312CS..Hα-helixtrans-61.9-47176.9168.40000111L276 I277 A283 I284 L301 L304L276-V280 HydrophobicContact CD1-CG2 4.19Å; L276-V280 WeakPolarHBondContact O-CB 3.35Å; L276-V280 VanDerWaalsContact O-CG2 3.24Å; L276-V280 WeakPolarHBondContact O-CG2 3.16Å; L276-V280 PolarHBondContact O-N 3.33Å; I277-V280 PolarHBondContact O-N 3.31Å; V280-A283 PolarHBondContact O-N 3.29Å; V280-I284 HydrophobicContact CG1-CD1 3.84Å; V280-I284 WeakPolarHBondContact O-CB 3.39Å; V280-I284 VanDerWaalsContact O-CG1 3.28Å; V280-I284 WeakPolarHBondContact O-CG1 3.43Å; V280-I284 PolarHBondContact O-N 3.31Å; V280-L301 HydrophobicContact CG1-CD1 3.93Å; V280-L301 HydrophobicContact CG2-CD1 4.36Å; V280-L304 HydrophobicContact CB-CD1 4.14Å; V280-L304 HydrophobicContact CG2-CD1 3.59Å
281T97.6Very high93.5Very high67 Ų6752.1 Ų52.141%0.41128%0.278SS..Hα-helixtrans-63.9-44.2178.155.90000111.1I277 L278 I284 L285I277-T281 WeakPolarHBondContact O-CG2 3.26Å; I277-T281 PolarHBondContact O-N 3.49Å; I277-T281 PolarHBondContact O-OG1 3.47Å; L278-T281 WeakPolarHBondContact CA-OG1 3.39Å; L278-T281 PolarHBondContact O-OG1 2.97Å; T281-I284 PolarHBondContact O-N 3.4Å; T281-L285 VanDerWaalsContact O-CG 3.26Å; T281-L285 WeakPolarHBondContact O-CG 3.39Å; T281-L285 PolarHBondContact O-N 3.21Å
282M96.9Very high92.7Very high41 Ų4149.1 Ų49.120%0.20227%0.267CS..Hα-helixtrans-65.8-39.9179-165.758.8-169.200112.4L278 V279 L285 C286 L803 V807L278-M282 VanDerWaalsContact O-CB 3.28Å; L278-M282 WeakPolarHBondContact O-CB 3.34Å; L278-M282 PolarHBondContact O-N 3.41Å; V279-M282 PolarHBondContact O-N 2.82Å; M282-L285 PolarHBondContact O-N 3Å; M282-C286 WeakPolarHBondContact O-CB 3.28Å; M282-C286 PolarHBondContact O-N 3.41Å; M282-C286 PolarHBondContact O-SG 2.75Å; M282-C286 VanDerWaalsContact O-SG 3.34Å; M282-L803 HydrophobicContact CE-CB 3.72Å; M282-L803 HydrophobicContact CE-CD1 3.85Å; M282-L803 HydrophobicContact CE-CG 4.25Å; M282-V807 HydrophobicContact CB-CG1 4.26Å; M282-V807 HydrophobicContact CG-CG2 4.28Å
283A96.9Very high92.1Very high0 Ų047 Ų470%026%0.256CS..Hα-helixtrans-64.4-41.9176.800000111.9V279 V280 L285 C286 C287 L304 F345V279-A283 VanDerWaalsContact O-CB 3.25Å; V279-A283 WeakPolarHBondContact O-CB 3.47Å; V279-A283 PolarHBondContact O-N 2.78Å; V280-A283 PolarHBondContact O-N 3.29Å; A283-L285 VanDerWaalsContact C-N 3.35Å; A283-C286 PolarHBondContact O-N 3.2Å; A283-C287 PolarHBondContact O-N 3.1Å; A283-C287 PolarHBondContact O-SG 3.2Å; A283-L304 HydrophobicContact CB-CD1 3.81Å; A283-L304 HydrophobicContact CB-CG 4.36Å; A283-F345 HydrophobicContact CB-CZ 4.43Å
284I95.5Very high91.5Very high50 Ų5044.1 Ų44.126%0.25624%0.237SC..Hα-helixtrans-60.8-45.1174.1-72.5168.2000110.6V280 T281 C287 S288 P297 L301V280-I284 HydrophobicContact CG1-CD1 3.84Å; V280-I284 WeakPolarHBondContact O-CB 3.39Å; V280-I284 VanDerWaalsContact O-CG1 3.28Å; V280-I284 WeakPolarHBondContact O-CG1 3.43Å; V280-I284 PolarHBondContact O-N 3.31Å; T281-I284 PolarHBondContact O-N 3.4Å; I284-C287 PolarHBondContact O-N 3.22Å; I284-S288 WeakPolarHBondContact O-CB 3.34Å; I284-S288 PolarHBondContact O-N 3.4Å; I284-P297 HydrophobicContact CG2-CB 3.8Å; I284-L301 HydrophobicContact CG1-CB 4.42Å
285L92.4Very high91.1Very high114 Ų11441.3 Ų41.360%0.59722%0.22SC*.Hα-helixtrans-64.5-44.3177.9-70.4171.8000111.9T281 M282 A283 C287 S288T281-L285 VanDerWaalsContact O-CG 3.26Å; T281-L285 WeakPolarHBondContact O-CG 3.39Å; T281-L285 PolarHBondContact O-N 3.21Å; M282-L285 PolarHBondContact O-N 3Å; A283-L285 VanDerWaalsContact C-N 3.35Å; L285-C287 VanDerWaalsContact C-N 3.26Å; L285-C287 PolarHBondContact O-N 2.97Å; L285-S288 WeakPolarHBondContact O-CB 3.44Å; L285-S288 PolarHBondContact O-N 2.96Å
286C91.4Very high90.8Very high8 Ų841.3 Ų41.35%0.05422%0.219CC..Hα-helixtrans-59.7-34.6176.5-800000112.8M282 A283 F345 Q800M282-C286 WeakPolarHBondContact O-CB 3.28Å; M282-C286 PolarHBondContact O-N 3.41Å; M282-C286 PolarHBondContact O-SG 2.75Å; M282-C286 VanDerWaalsContact O-SG 3.34Å; A283-C286 PolarHBondContact O-N 3.2Å; C286-F345 HydrophobicContact CB-CE1 4.21Å; C286-F345 HydrophobicContact CB-CZ 4.19Å; C286-Q800 HydrophobicContact CB-CB 4.25Å; C286-Q800 HydrophobicContact CB-CG 3.99Å; C286-Q800 PolarHBondContact O-NE2 3.23Å
287C91.1Very high90.5Very high0 Ų037.1 Ų37.10%020%0.198CC..Hα-helixtrans-87.2-8176.8-65.80000114A283 I284 L285 K296 G300 L348 R352A283-C287 PolarHBondContact O-N 3.1Å; A283-C287 PolarHBondContact O-SG 3.2Å; I284-C287 PolarHBondContact O-N 3.22Å; L285-C287 VanDerWaalsContact C-N 3.26Å; L285-C287 PolarHBondContact O-N 2.97Å; C287-K296 WeakPolarHBondContact CB-O 3.27Å; C287-K296 CarbonylContact O-C 3.59Å; C287-K296 PolarHBondContact O-N 2.76Å; C287-G300 VanDerWaalsContact SG-CA 3.53Å; C287-G300 PolarHBondContact SG-N 3.36Å; C287-G300 VanDerWaalsContact SG-N 3.44Å; C287-L348 HydrophobicContact CB-CD2 4.17Å; C287-L348 WeakPolarHBondContact SG-CD2 3.42Å; C287-R352 PolarHBondContact O-NH2 3.29Å
288S88.9Confident90.3Very high50 Ų5037.8 Ų37.835%0.3519%0.194SC..  trans-81.3147.8-179.4-164.50000112I284 L285 S295I284-S288 WeakPolarHBondContact O-CB 3.34Å; I284-S288 PolarHBondContact O-N 3.4Å; L285-S288 WeakPolarHBondContact O-CB 3.44Å; L285-S288 PolarHBondContact O-N 2.96Å; S288-S295 WeakPolarHBondContact CA-OG 3.28Å; S288-S295 PolarHBondContact OG-OG 3.41Å
289M82.6Confident90.2Very high28 Ų2834.8 Ų34.814%0.13818%0.178CC..  trans-133.1159.1-179.5-72.4-73.5-87.700110.4D291 S295 S480 H481M289-D291 PolarHBondContact O-N 3.17Å; M289-S295 PolarHBondContact N-OG 3.44Å; M289-S480 WeakPolarHBondContact CE-OG 3.23Å; M289-H481 VanDerWaalsContact CE-CA 3.44Å; M289-H481 HydrophobicContact CE-CB 3.5Å; M289-H481 VanDerWaalsContact CE-CB 3.5Å; M289-H481 WeakPolarHBondContact SD-CA 3.37Å; M289-H481 HydrophobicContact SD-CB 3.49Å; M289-H481 WeakPolarHBondContact SD-CB 3.39Å; M289-H481 PolarHBondContact SD-CD2 3.23Å
290Q76.3Confident90Very high156 Ų15634.8 Ų34.873%0.72918%0.179SC*.SBendtrans-64.8-30.1171.8-170.8173.9-0.100112.1
291D79.4Confident89.9Confident10 Ų1035.7 Ų35.75%0.05318%0.182CC..SBendtrans-80.6118.9174.8-171.5-45.2000111.2M289 V293 R294 S295 R464M289-D291 PolarHBondContact O-N 3.17Å; D291-V293 VanDerWaalsContact C-N 3.29Å; D291-V293 PolarHBondContact O-N 3.04Å; D291-V293 PolarHBondContact OD1-N 3.06Å; D291-R294 HydrophobicContact CB-CB 4.15Å; D291-R294 PolarHBondContact O-N 3.47Å; D291-R294 PolarHBondContact OD1-N 3.44Å; D291-R294 IonicContact OD2-CZ 3.99Å; D291-R294 IonicContact OD2-NH1 3.94Å; D291-R294 PolarHBondContact OD2-NH1 3.46Å; D291-S295 WeakPolarHBondContact O-CB 3.42Å; D291-S295 PolarHBondContact O-N 3.44Å; D291-R464 PolarHBondContact OD2-N 3.48Å; D291-R464 VanDerWaalsContact OD2-N 3.14Å
292C80.6Confident89.9Confident9 Ų934.8 Ų34.86%0.06118%0.175CC..THydrogen-bonded Turntrans-67.8-21.5-175.569.40000114.6S438 L460 T462C292-S438 WeakPolarHBondContact O-CB 3.32Å; C292-S438 PolarHBondContact O-N 3.36Å; C292-S438 PolarHBondContact O-OG 2.83Å; C292-L460 WeakPolarHBondContact CB-O 3.23Å; C292-T462 PolarHBondContact N-O 3.29Å; C292-T462 PolarHBondContact SG-O 3.02Å
293V83.2Confident90Very high5 Ų533 Ų333%0.0317%0.166CC..THydrogen-bonded Turntrans-86.5-41.6178.4179.20000110.7D291 E432 Y435 V444 A463D291-V293 VanDerWaalsContact C-N 3.29Å; D291-V293 PolarHBondContact O-N 3.04Å; D291-V293 PolarHBondContact OD1-N 3.06Å; V293-E432 HydrophobicContact CG1-CG 4.44Å; V293-Y435 HydrophobicContact CG1-CD2 4.16Å; V293-Y435 HydrophobicContact CG1-CE2 4.4Å; V293-Y435 HydrophobicContact CG2-CD1 4.23Å; V293-Y435 HydrophobicContact CG2-CD2 4.46Å; V293-Y435 HydrophobicContact CG2-CE1 4.03Å; V293-Y435 HydrophobicContact CG2-CE2 4.3Å; V293-Y435 HydrophobicContact CG2-CG 4.43Å; V293-V444 HydrophobicContact CG2-CB 4.28Å; V293-V444 HydrophobicContact CG2-CG2 3.67Å; V293-A463 HydrophobicContact CG2-CB 4Å
294R84.8Confident90Very high19 Ų1933.3 Ų33.37%0.07217%0.168CC..THydrogen-bonded Turntrans-85.5-19.7-176.4-62.8174174.5108.8-0.2113.8D291 K296 E356 R464 S466D291-R294 HydrophobicContact CB-CB 4.15Å; D291-R294 PolarHBondContact O-N 3.47Å; D291-R294 PolarHBondContact OD1-N 3.44Å; D291-R294 IonicContact OD2-CZ 3.99Å; D291-R294 IonicContact OD2-NH1 3.94Å; D291-R294 PolarHBondContact OD2-NH1 3.46Å; R294-K296 WeakPolarHBondContact O-CG 3.03Å; R294-E356 WeakPolarHBondContact CD-OE1 3.4Å; R294-E356 IonicContact CZ-OE1 3.56Å; R294-E356 IonicContact CZ-OE2 2.7Å; R294-E356 IonicContact NE-OE1 2.66Å; R294-E356 PolarHBondContact NE-OE1 3.44Å; R294-E356 IonicContact NE-OE2 3.45Å; R294-E356 PolarHBondContact NE-OE2 3.2Å; R294-E356 IonicContact NH2-OE1 3.61Å; R294-E356 PolarHBondContact NH2-OE1 2.9Å; R294-E356 IonicContact NH2-OE2 3.72Å; R294-E356 PolarHBondContact NH2-OE2 3.43Å; R294-R464 PolarHBondContact NH1-O 2.94Å; R294-S466 PolarHBondContact NH2-OG 3.13Å
295S87.9Confident90.1Very high5 Ų533.3 Ų33.34%0.03517%0.171CC..  trans-55.4139.4171.4-171.20000110.3S288 M289 D291 P297 S438S288-S295 WeakPolarHBondContact CA-OG 3.28Å; S288-S295 PolarHBondContact OG-OG 3.41Å; M289-S295 PolarHBondContact N-OG 3.44Å; D291-S295 WeakPolarHBondContact O-CB 3.42Å; D291-S295 PolarHBondContact O-N 3.44Å; S295-P297 VanDerWaalsContact C-CD 3.44Å; S295-P297 WeakPolarHBondContact OG-CD 3.46Å; S295-S438 WeakPolarHBondContact O-CB 3.19Å
296K91.2Very high90.4Very high8 Ų827.9 Ų27.94%0.03514%0.142CC..  trans-132.252.2179.9-60.7-159.3-177.7-550112.4C287 R294 W298 L299 L348 W351 T428 E432C287-K296 WeakPolarHBondContact CB-O 3.27Å; C287-K296 CarbonylContact O-C 3.59Å; C287-K296 PolarHBondContact O-N 2.76Å; R294-K296 WeakPolarHBondContact O-CG 3.03Å; K296-W298 PolarHBondContact O-N 3.34Å; K296-W298 VanDerWaalsContact O-N 3.15Å; K296-L299 HydrophobicContact CB-CB 4.29Å; K296-L299 HydrophobicContact CB-CD1 3.8Å; K296-L299 HydrophobicContact CB-CG 4.02Å; K296-L299 HydrophobicContact CD-CD1 3.43Å; K296-L299 VanDerWaalsContact CD-CD1 3.43Å; K296-L299 HydrophobicContact CD-CG 4.31Å; K296-L299 HydrophobicContact CG-CD1 4.23Å; K296-L299 WeakPolarHBondContact O-CB 3.44Å; K296-L299 PolarHBondContact O-N 3.43Å; K296-L348 HydrophobicContact CD-CD1 4.02Å; K296-W351 VanDerWaalsContact CE-NE1 3.33Å; K296-T428 PolarHBondContact NZ-O 2.99Å; K296-E432 WeakPolarHBondContact CE-OE2 3.35Å; K296-E432 IonicContact NZ-OE2 3.24Å; K296-E432 PolarHBondContact NZ-OE2 2.97Å
297P91.4Very high90.7Very high9 Ų928 Ų286%0.05814%0.142CC..Hα-helixtrans-57.3-37.5-172.523.7-32.8000112.4I284 S295 L299 G300 I439I284-P297 HydrophobicContact CG2-CB 3.8Å; S295-P297 VanDerWaalsContact C-CD 3.44Å; S295-P297 WeakPolarHBondContact OG-CD 3.46Å; P297-L299 VanDerWaalsContact C-N 3.26Å; P297-L299 PolarHBondContact O-N 3.23Å; P297-G300 PolarHBondContact O-N 2.63Å; P297-G300 VanDerWaalsContact O-N 3.14Å; P297-I439 HydrophobicContact CG-CG1 3.9Å
298W93.6Very high91Very high113 Ų11331.1 Ų31.143%0.42816%0.164SC..Hα-helixtrans-64.5-25.5178.7-60.8123.7000113.9K296 G300 L301 L302 S438 I439K296-W298 PolarHBondContact O-N 3.34Å; K296-W298 VanDerWaalsContact O-N 3.15Å; W298-G300 VanDerWaalsContact C-N 3.32Å; W298-L301 HydrophobicContact CE3-CD2 3.93Å; W298-L301 HydrophobicContact CZ3-CD2 3.98Å; W298-L301 PolarHBondContact O-N 3.34Å; W298-L302 WeakPolarHBondContact O-CB 3.28Å; W298-L302 VanDerWaalsContact O-CG 3.24Å; W298-L302 WeakPolarHBondContact O-CG 3.31Å; W298-L302 PolarHBondContact O-N 3.44Å; W298-S438 VanDerWaalsContact CD1-O 3.3Å; W298-S438 PolarHBondContact NE1-O 2.77Å; W298-I439 HydrophobicContact CZ2-CG2 4.29Å; W298-I439 PolarHBondContact NE1-O 3.05Å
299L95.3Very high91.5Very high0 Ų029.8 Ų29.80%015%0.152CC..Hα-helixtrans-67.8-33.8174.4-71.3-175.9000112.1K296 P297 L301 L302 G303 L348 Y421 L425 T428K296-L299 HydrophobicContact CB-CB 4.29Å; K296-L299 HydrophobicContact CB-CD1 3.8Å; K296-L299 HydrophobicContact CB-CG 4.02Å; K296-L299 HydrophobicContact CD-CD1 3.43Å; K296-L299 VanDerWaalsContact CD-CD1 3.43Å; K296-L299 HydrophobicContact CD-CG 4.31Å; K296-L299 HydrophobicContact CG-CD1 4.23Å; K296-L299 WeakPolarHBondContact O-CB 3.44Å; K296-L299 PolarHBondContact O-N 3.43Å; P297-L299 VanDerWaalsContact C-N 3.26Å; P297-L299 PolarHBondContact O-N 3.23Å; L299-L301 VanDerWaalsContact C-N 3.34Å; L299-L302 PolarHBondContact O-N 2.89Å; L299-G303 PolarHBondContact O-N 3.48Å; L299-L348 HydrophobicContact CD1-CD1 3.76Å; L299-Y421 HydrophobicContact CB-CE2 4.36Å; L299-Y421 HydrophobicContact CD2-CE2 4.34Å; L299-L425 HydrophobicContact CD1-CD1 3.67Å; L299-T428 HydrophobicContact CD2-CG2 3.71Å; L299-T428 HydrophobicContact CG-CG2 3.89Å
300G94.8Very high92.2Very high4 Ų428.4 Ų28.44%0.04115%0.146CC..Hα-helixtrans-60.3-46.6173.700000111.2C287 P297 W298 G303 L304C287-G300 VanDerWaalsContact SG-CA 3.53Å; C287-G300 PolarHBondContact SG-N 3.36Å; C287-G300 VanDerWaalsContact SG-N 3.44Å; P297-G300 PolarHBondContact O-N 2.63Å; P297-G300 VanDerWaalsContact O-N 3.14Å; W298-G300 VanDerWaalsContact C-N 3.32Å; G300-G303 PolarHBondContact O-N 2.87Å; G300-L304 PolarHBondContact O-N 2.79Å
301L96.7Very high93.2Very high53 Ų5322.7 Ų22.728%0.27712%0.121SC..Hα-helixtrans-63.8-48.2174.8177.963.1000112.2V280 I284 W298 L299 G303 L304 V305V280-L301 HydrophobicContact CG1-CD1 3.93Å; V280-L301 HydrophobicContact CG2-CD1 4.36Å; I284-L301 HydrophobicContact CG1-CB 4.42Å; W298-L301 HydrophobicContact CE3-CD2 3.93Å; W298-L301 HydrophobicContact CZ3-CD2 3.98Å; W298-L301 PolarHBondContact O-N 3.34Å; L299-L301 VanDerWaalsContact C-N 3.34Å; L301-G303 VanDerWaalsContact C-N 3.27Å; L301-G303 PolarHBondContact O-N 3.4Å; L301-L304 WeakPolarHBondContact O-CB 3.32Å; L301-L304 PolarHBondContact O-N 3.46Å; L301-L304 VanDerWaalsContact O-N 3.12Å; L301-V305 WeakPolarHBondContact O-CG2 3.22Å; L301-V305 PolarHBondContact O-N 2.89Å
302L97.7Very high93.9Very high49 Ų4925.2 Ų25.226%0.25714%0.135SC..Hα-helixtrans-66.2-30-178.7-70.5168.5000112.2W298 L299 V305 T306 F420W298-L302 WeakPolarHBondContact O-CB 3.28Å; W298-L302 VanDerWaalsContact O-CG 3.24Å; W298-L302 WeakPolarHBondContact O-CG 3.31Å; W298-L302 PolarHBondContact O-N 3.44Å; L299-L302 PolarHBondContact O-N 2.89Å; L302-V305 PolarHBondContact O-N 3.25Å; L302-T306 PolarHBondContact O-N 2.91Å; L302-T306 PolarHBondContact O-OG1 3.44Å; L302-F420 HydrophobicContact CB-CE1 4.49Å; L302-F420 HydrophobicContact CD2-CE1 4.12Å; L302-F420 HydrophobicContact CD2-CZ 4.06Å
303G97.7Very high94.7Very high2 Ų224.8 Ų24.82%0.02113%0.132CC..Hα-helixtrans-59.7-47.9169.400000111.4L299 G300 L301 V305 T306 I307L299-G303 PolarHBondContact O-N 3.48Å; G300-G303 PolarHBondContact O-N 2.87Å; L301-G303 VanDerWaalsContact C-N 3.27Å; L301-G303 PolarHBondContact O-N 3.4Å; G303-V305 PolarHBondContact O-N 3.45Å; G303-T306 WeakPolarHBondContact O-CB 3.31Å; G303-T306 PolarHBondContact O-N 3.47Å; G303-T306 VanDerWaalsContact O-N 3.14Å; G303-I307 WeakPolarHBondContact O-CG1 3.46Å; G303-I307 PolarHBondContact O-N 2.96Å; G303-I307 VanDerWaalsContact O-N 3.13Å
304L97.9Very high95.4Very high7 Ų724.5 Ų24.54%0.03713%0.13CC..Hα-helixtrans-65.6-36.2175.6-64.3170.9000113.1V279 V280 A283 G300 L301 T306 I307 S308 L337 L341V279-L304 HydrophobicContact CG1-CD1 3.77Å; V279-L304 HydrophobicContact CG1-CD2 3.47Å; V279-L304 VanDerWaalsContact CG1-CD2 3.47Å; V279-L304 HydrophobicContact CG1-CG 4.28Å; V280-L304 HydrophobicContact CB-CD1 4.14Å; V280-L304 HydrophobicContact CG2-CD1 3.59Å; A283-L304 HydrophobicContact CB-CD1 3.81Å; A283-L304 HydrophobicContact CB-CG 4.36Å; G300-L304 PolarHBondContact O-N 2.79Å; L301-L304 WeakPolarHBondContact O-CB 3.32Å; L301-L304 PolarHBondContact O-N 3.46Å; L301-L304 VanDerWaalsContact O-N 3.12Å; L304-T306 VanDerWaalsContact C-N 3.3Å; L304-T306 PolarHBondContact O-N 3.19Å; L304-I307 HydrophobicContact CD2-CD1 4.38Å; L304-I307 PolarHBondContact O-N 3.37Å; L304-S308 WeakPolarHBondContact O-CB 3.37Å; L304-S308 PolarHBondContact O-N 3.43Å; L304-S308 PolarHBondContact O-OG 2.96Å; L304-L337 HydrophobicContact CD2-CD1 3.82Å; L304-L341 HydrophobicContact CD2-CD2 3.8Å
305V97.9Very high95.9Very high51 Ų5124.8 Ų24.831%0.30914%0.136SC..Hα-helixtrans-61.4-42172.1172.20000110.4L301 L302 G303 I307 S308 L309 F420L301-V305 WeakPolarHBondContact O-CG2 3.22Å; L301-V305 PolarHBondContact O-N 2.89Å; L302-V305 PolarHBondContact O-N 3.25Å; G303-V305 PolarHBondContact O-N 3.45Å; V305-I307 VanDerWaalsContact C-N 3.35Å; V305-I307 PolarHBondContact O-N 2.81Å; V305-S308 PolarHBondContact O-N 3.43Å; V305-L309 HydrophobicContact CG1-CD1 3.92Å; V305-L309 HydrophobicContact CG1-CG 4.18Å; V305-L309 WeakPolarHBondContact O-CB 3.18Å; V305-L309 VanDerWaalsContact O-CG 3.26Å; V305-L309 WeakPolarHBondContact O-CG 3.09Å; V305-L309 PolarHBondContact O-N 3.48Å; V305-F420 HydrophobicContact CB-CE1 4.39Å; V305-F420 HydrophobicContact CG1-CE1 3.98Å; V305-F420 HydrophobicContact CG1-CZ 3.93Å
306T98.5Very high96.3Very high0 Ų024.5 Ų24.50%014%0.135CC..Hα-helixtrans-56.3-49.4176.5-50.90000111.2L302 G303 L304 S308 L309 A310 Y416 V417 F420L302-T306 PolarHBondContact O-N 2.91Å; L302-T306 PolarHBondContact O-OG1 3.44Å; G303-T306 WeakPolarHBondContact O-CB 3.31Å; G303-T306 PolarHBondContact O-N 3.47Å; G303-T306 VanDerWaalsContact O-N 3.14Å; L304-T306 VanDerWaalsContact C-N 3.3Å; L304-T306 PolarHBondContact O-N 3.19Å; T306-S308 VanDerWaalsContact C-N 3.33Å; T306-S308 PolarHBondContact O-N 2.89Å; T306-L309 PolarHBondContact O-N 3.4Å; T306-A310 PolarHBondContact O-N 3.43Å; T306-A310 VanDerWaalsContact O-N 3.09Å; T306-Y416 VanDerWaalsContact CG2-C 3.43Å; T306-Y416 WeakPolarHBondContact CG2-O 3.39Å; T306-V417 HydrophobicContact CG2-CG2 4.16Å; T306-F420 HydrophobicContact CG2-CD1 4.44Å; T306-F420 VanDerWaalsContact OG1-CD1 3.26Å; T306-F420 WeakPolarHBondContact OG1-CD1 3.34Å
307I98.2Very high96.5Very high10 Ų1026 Ų265%0.05114%0.143CC..Hα-helixtrans-63.3-41.4179.1-60.7169.9000110.8G303 L304 V305 A310 T311 M336 L341G303-I307 WeakPolarHBondContact O-CG1 3.46Å; G303-I307 PolarHBondContact O-N 2.96Å; G303-I307 VanDerWaalsContact O-N 3.13Å; L304-I307 HydrophobicContact CD2-CD1 4.38Å; L304-I307 PolarHBondContact O-N 3.37Å; V305-I307 VanDerWaalsContact C-N 3.35Å; V305-I307 PolarHBondContact O-N 2.81Å; I307-A310 PolarHBondContact O-N 3.11Å; I307-T311 PolarHBondContact O-N 3.33Å; I307-T311 PolarHBondContact O-OG1 3Å; I307-M336 HydrophobicContact CG2-CB 3.74Å; I307-L341 HydrophobicContact CD1-CD2 4.24Å; I307-L341 HydrophobicContact CD1-CG 4.22Å
308S97.1Very high96.6Very high65 Ų6526.6 Ų26.646%0.45515%0.145SC..Hα-helixtrans-65.8-42.4179.5-58.20000111.8L304 V305 T306 T311 L312L304-S308 WeakPolarHBondContact O-CB 3.37Å; L304-S308 PolarHBondContact O-N 3.43Å; L304-S308 PolarHBondContact O-OG 2.96Å; V305-S308 PolarHBondContact O-N 3.43Å; T306-S308 VanDerWaalsContact C-N 3.33Å; T306-S308 PolarHBondContact O-N 2.89Å; S308-T311 PolarHBondContact O-N 3.04Å; S308-L312 WeakPolarHBondContact O-CB 3.22Å; S308-L312 PolarHBondContact O-N 3.05Å
309L97.9Very high96.7Very high22 Ų2221.7 Ų21.712%0.11513%0.127CC..Hα-helixtrans-62.2-42.5175.7-71.9173.4000111.4V33 S36 V305 T306 L312 T313 Y416 F420V33-L309 HydrophobicContact CG2-CD1 3.92Å; S36-L309 WeakPolarHBondContact OG-CB 3.5Å; S36-L309 PolarHBondContact OG-O 2.8Å; V305-L309 HydrophobicContact CG1-CD1 3.92Å; V305-L309 HydrophobicContact CG1-CG 4.18Å; V305-L309 WeakPolarHBondContact O-CB 3.18Å; V305-L309 VanDerWaalsContact O-CG 3.26Å; V305-L309 WeakPolarHBondContact O-CG 3.09Å; V305-L309 PolarHBondContact O-N 3.48Å; T306-L309 PolarHBondContact O-N 3.4Å; L309-L312 PolarHBondContact O-N 3.19Å; L309-T313 WeakPolarHBondContact O-CB 3.41Å; L309-T313 PolarHBondContact O-N 2.93Å; L309-T313 PolarHBondContact O-OG1 2.75Å; L309-Y416 HydrophobicContact CB-CD2 3.84Å; L309-Y416 HydrophobicContact CB-CE2 3.85Å; L309-F420 HydrophobicContact CD1-CD2 4.31Å; L309-F420 HydrophobicContact CD1-CE2 4.26Å; L309-F420 HydrophobicContact CD1-CG 4.49Å; L309-F420 HydrophobicContact CD1-CZ 4.36Å
310A98.4Very high96.7Very high0 Ų025.1 Ų25.10%015%0.145CC..Hα-helixtrans-64.3-43.917700000112.1T306 I307 T313 A314 F412 N413 Y416T306-A310 PolarHBondContact O-N 3.43Å; T306-A310 VanDerWaalsContact O-N 3.09Å; I307-A310 PolarHBondContact O-N 3.11Å; A310-T313 WeakPolarHBondContact O-CB 3.29Å; A310-T313 PolarHBondContact O-N 3.26Å; A310-A314 PolarHBondContact O-N 2.91Å; A310-F412 HydrophobicContact CB-CB 4.2Å; A310-N413 VanDerWaalsContact CB-CA 3.47Å; A310-N413 HydrophobicContact CB-CB 3.79Å; A310-Y416 HydrophobicContact CB-CD2 3.9Å; A310-Y416 HydrophobicContact CB-CE2 4.4Å
311T96Very high96.6Very high35 Ų3530.1 Ų30.122%0.21518%0.175CC..Hα-helixtrans-63.4-42.5176.3-52.30000111.3I307 S308 T313 A314 A315I307-T311 PolarHBondContact O-N 3.33Å; I307-T311 PolarHBondContact O-OG1 3Å; S308-T311 PolarHBondContact O-N 3.04Å; T311-T313 VanDerWaalsContact C-N 3.34Å; T311-T313 PolarHBondContact O-N 2.81Å; T311-A314 PolarHBondContact O-N 3.47Å; T311-A315 WeakPolarHBondContact O-CB 3.27Å; T311-A315 PolarHBondContact O-N 2.73Å
312L95.8Very high96.4Very high63 Ų6329.8 Ų29.833%0.3319%0.185SC..Hα-helixtrans-62.9-41.1176.1-178.366.3000111.7F43 S308 L309 A315 G316F43-L312 HydrophobicContact CD2-CD1 4.34Å; F43-L312 HydrophobicContact CE2-CD1 3.59Å; F43-L312 HydrophobicContact CZ-CD1 4.19Å; S308-L312 WeakPolarHBondContact O-CB 3.22Å; S308-L312 PolarHBondContact O-N 3.05Å; L309-L312 PolarHBondContact O-N 3.19Å; L312-A315 PolarHBondContact O-N 2.89Å; L312-G316 PolarHBondContact O-N 3.42Å
313T97.5Very high96.2Very high0 Ų028.6 Ų28.60%018%0.184CC..Hα-helixtrans-61.2-47.6176.7-62.40000111.1I35 S36 L39 L309 A310 T311 G316 I317 F412 Y416I35-T313 HydrophobicContact CG2-CG2 4.3Å; S36-T313 PolarHBondContact OG-OG1 2.93Å; L39-T313 HydrophobicContact CD1-CG2 3.62Å; L309-T313 WeakPolarHBondContact O-CB 3.41Å; L309-T313 PolarHBondContact O-N 2.93Å; L309-T313 PolarHBondContact O-OG1 2.75Å; A310-T313 WeakPolarHBondContact O-CB 3.29Å; A310-T313 PolarHBondContact O-N 3.26Å; T311-T313 VanDerWaalsContact C-N 3.34Å; T311-T313 PolarHBondContact O-N 2.81Å; T313-G316 PolarHBondContact O-N 2.89Å; T313-I317 HydrophobicContact CG2-CD1 4.28Å; T313-I317 WeakPolarHBondContact O-CG1 3.4Å; T313-I317 PolarHBondContact O-N 3.41Å; T313-F412 HydrophobicContact CG2-CB 4.3Å; T313-F412 HydrophobicContact CG2-CD1 3.54Å; T313-F412 HydrophobicContact CG2-CD2 3.8Å; T313-F412 HydrophobicContact CG2-CE1 3.69Å; T313-F412 HydrophobicContact CG2-CE2 3.97Å; T313-F412 HydrophobicContact CG2-CG 3.59Å; T313-F412 HydrophobicContact CG2-CZ 3.9Å; T313-Y416 WeakPolarHBondContact OG1-CE2 3.35Å; T313-Y416 PolarHBondContact OG1-OH 3.25Å
314A96.8Very high96Very high0 Ų032 Ų320%020%0.198CC..Hα-helixtrans-61.9-47.3176.700000112.2A310 T311 G316 I317 I318 I408 A409A310-A314 PolarHBondContact O-N 2.91Å; T311-A314 PolarHBondContact O-N 3.47Å; A314-G316 VanDerWaalsContact C-N 3.29Å; A314-G316 PolarHBondContact O-N 3.5Å; A314-I317 PolarHBondContact O-N 2.67Å; A314-I317 VanDerWaalsContact O-N 3.16Å; A314-I318 WeakPolarHBondContact O-CG1 3.39Å; A314-I318 PolarHBondContact O-N 2.75Å; A314-I408 HydrophobicContact CB-CB 4.21Å; A314-I408 HydrophobicContact CB-CG2 3.77Å; A314-A409 HydrophobicContact CB-CB 3.64Å
315A94.8Very high95.7Very high24 Ų2433.9 Ų33.920%0.19821%0.205CC..Hα-helixtrans-59.5-40176.100000112.2F43 T311 L312 I318 N319F43-A315 HydrophobicContact CE2-CB 3.95Å; F43-A315 HydrophobicContact CZ-CB 3.7Å; T311-A315 WeakPolarHBondContact O-CB 3.27Å; T311-A315 PolarHBondContact O-N 2.73Å; L312-A315 PolarHBondContact O-N 2.89Å; A315-I318 PolarHBondContact O-N 3.44Å; A315-N319 WeakPolarHBondContact O-CB 3.25Å; A315-N319 VanDerWaalsContact O-CG 3.23Å; A315-N319 PolarHBondContact O-N 3.29Å; A315-N319 PolarHBondContact O-ND2 3.1Å
316G95.9Very high95.4Very high0 Ų031.4 Ų31.40%019%0.19CC..Hα-helixtrans-59.5-45.4174.300000112.9L39 L312 T313 A314 N319 L320L39-G316 WeakPolarHBondContact O-CA 3.49Å; L312-G316 PolarHBondContact O-N 3.42Å; T313-G316 PolarHBondContact O-N 2.89Å; A314-G316 VanDerWaalsContact C-N 3.29Å; A314-G316 PolarHBondContact O-N 3.5Å; G316-N319 PolarHBondContact O-N 3.4Å; G316-L320 WeakPolarHBondContact O-CG 3.16Å; G316-L320 PolarHBondContact O-N 3.33Å
317I96Very high95.2Very high40 Ų4031.4 Ų31.421%0.20519%0.19CC..Hα-helixtrans-63.2-45.9176.8-68166.8000111L39 T313 A314 N319 L320 T321 I408 F412L39-I317 HydrophobicContact CD1-CD1 4.28Å; L39-I317 HydrophobicContact CD1-CG1 4.04Å; L39-I317 HydrophobicContact CD2-CG1 4.22Å; T313-I317 HydrophobicContact CG2-CD1 4.28Å; T313-I317 WeakPolarHBondContact O-CG1 3.4Å; T313-I317 PolarHBondContact O-N 3.41Å; A314-I317 PolarHBondContact O-N 2.67Å; A314-I317 VanDerWaalsContact O-N 3.16Å; I317-N319 VanDerWaalsContact C-N 3.32Å; I317-N319 PolarHBondContact O-N 2.88Å; I317-L320 PolarHBondContact O-N 2.86Å; I317-L320 VanDerWaalsContact O-N 3.11Å; I317-T321 HydrophobicContact CG2-CG2 4.46Å; I317-T321 WeakPolarHBondContact O-CG2 3.4Å; I317-T321 PolarHBondContact O-N 3.03Å; I317-T321 PolarHBondContact O-OG1 3.26Å; I317-I408 HydrophobicContact CD1-CG2 4Å; I317-I408 HydrophobicContact CG2-CD1 4.45Å; I317-F412 HydrophobicContact CD1-CD2 4.17Å; I317-F412 HydrophobicContact CD1-CE2 3.28Å; I317-F412 HydrophobicContact CD1-CZ 3.7Å
318I94.4Very high94.8Very high21 Ų2131.1 Ų31.111%0.10819%0.189CC..Hα-helixtrans-59.5-43.1177.3-66.1-60.4000111A314 A315 L320 T321 G322 G323 N405 I408A314-I318 WeakPolarHBondContact O-CG1 3.39Å; A314-I318 PolarHBondContact O-N 2.75Å; A315-I318 PolarHBondContact O-N 3.44Å; I318-L320 VanDerWaalsContact C-N 3.32Å; I318-L320 PolarHBondContact O-N 3.37Å; I318-T321 PolarHBondContact O-N 3.12Å; I318-T321 PolarHBondContact O-OG1 3.15Å; I318-T321 VanDerWaalsContact O-OG1 3.08Å; I318-G322 PolarHBondContact O-N 3.42Å; I318-G323 WeakPolarHBondContact O-CA 3.45Å; I318-G323 PolarHBondContact O-N 2.83Å; I318-N405 HydrophobicContact CG1-CB 4.48Å; I318-I408 HydrophobicContact CD1-CD1 3.86Å
319N94.4Very high94.7Very high9 Ų929.1 Ų29.15%0.04817%0.172CC..Hα-helixtrans-64.3-35.6176-69.2-26.9000112.2S42 A315 G316 I317 G322S42-N319 WeakPolarHBondContact O-CB 3.36Å; A315-N319 WeakPolarHBondContact O-CB 3.25Å; A315-N319 VanDerWaalsContact O-CG 3.23Å; A315-N319 PolarHBondContact O-N 3.29Å; A315-N319 PolarHBondContact O-ND2 3.1Å; G316-N319 PolarHBondContact O-N 3.4Å; I317-N319 VanDerWaalsContact C-N 3.32Å; I317-N319 PolarHBondContact O-N 2.88Å; N319-G322 PolarHBondContact O-N 3.02Å
320L95.2Very high94.5Very high73 Ų7328.7 Ų28.738%0.38217%0.17SC..Hα-helixtrans-70.8-34.8177.9-73.9174.8000113.2L39 S42 G316 I317 I318 G322L39-L320 HydrophobicContact CD2-CD1 3.51Å; S42-L320 WeakPolarHBondContact OG-CD1 3.32Å; S42-L320 WeakPolarHBondContact OG-CD2 3.37Å; S42-L320 VanDerWaalsContact OG-CG 3.25Å; S42-L320 WeakPolarHBondContact OG-CG 3.2Å; G316-L320 WeakPolarHBondContact O-CG 3.16Å; G316-L320 PolarHBondContact O-N 3.33Å; I317-L320 PolarHBondContact O-N 2.86Å; I317-L320 VanDerWaalsContact O-N 3.11Å; I318-L320 VanDerWaalsContact C-N 3.32Å; I318-L320 PolarHBondContact O-N 3.37Å; L320-G322 PolarHBondContact O-N 2.88Å
321T93.7Very high94.3Very high108 Ų10828.8 Ų28.866%0.66317%0.17SC*.THydrogen-bonded Turntrans-80.30.5177.258.10000113.1I317 I318I317-T321 HydrophobicContact CG2-CG2 4.46Å; I317-T321 WeakPolarHBondContact O-CG2 3.4Å; I317-T321 PolarHBondContact O-N 3.03Å; I317-T321 PolarHBondContact O-OG1 3.26Å; I318-T321 PolarHBondContact O-N 3.12Å; I318-T321 PolarHBondContact O-OG1 3.15Å; I318-T321 VanDerWaalsContact O-OG1 3.08Å
322G93.1Very high94.3Very high47 Ų4727.2 Ų27.249%0.48516%0.161SC..THydrogen-bonded Turntrans8116.7-179.500000113.8I318 N319 L320I318-G322 PolarHBondContact O-N 3.42Å; N319-G322 PolarHBondContact O-N 3.02Å; L320-G322 PolarHBondContact O-N 2.88Å
323G92.6Very high94.2Very high23 Ų2327.1 Ų27.124%0.23716%0.164CC..  trans-67.2147.3172.800000111.7I318I318-G323 WeakPolarHBondContact O-CA 3.45Å; I318-G323 PolarHBondContact O-N 2.83Å
324K94.1Very high94.2Very high74 Ų7427.4 Ų27.432%0.32217%0.166SC..  trans-111.5142.5-176-58-176.4-162.1158.20111.8Q47 E49Q47-K324 HydrophobicContact CB-CG 3.94Å; Q47-K324 CarbonylContact O-C 3.59Å; Q47-K324 WeakPolarHBondContact O-CA 3.34Å; E49-K324 HydrophobicContact CB-CB 3.98Å; E49-K324 HydrophobicContact CB-CD 4.23Å; E49-K324 IonicContact OE1-NZ 3.52Å; E49-K324 PolarHBondContact OE1-NZ 3.48Å; E49-K324 WeakPolarHBondContact OE2-CD 3.47Å; E49-K324 IonicContact OE2-NZ 2.72Å; E49-K324 PolarHBondContact OE2-NZ 2.83Å
325Y91.9Very high94.1Very high46 Ų4627.6 Ų27.618%0.1817%0.166CC..BIsolated β-bridgetrans-71.1144.3175.3177.4-92.6000112Y46 Q47 E49 S265 F329Y46-Y325 VanDerWaalsContact CE2-CB 3.41Å; Y46-Y325 HydrophobicContact CE2-CD1 4.44Å; Y46-Y325 HydrophobicContact CE2-CD2 4.17Å; Y46-Y325 AromaticContact CE2-CG 3.75Å; Y46-Y325 HydrophobicContact CE2-CG 3.75Å; Y46-Y325 AromaticContact CZ-CG 3.84Å; Y46-Y325 WeakPolarHBondContact OH-CD1 3.36Å; Q47-Y325 WeakPolarHBondContact O-CB 3.28Å; Q47-Y325 PolarHBondContact O-N 3.3Å; E49-Y325 PolarHBondContact N-O 3.38Å; S265-Y325 WeakPolarHBondContact CB-OH 3.25Å; S265-Y325 PolarHBondContact OG-OH 3.3Å; Y325-F329 HydrophobicContact CD2-CB 4.39Å; Y325-F329 AromaticContact CD2-CD2 3.92Å; Y325-F329 HydrophobicContact CD2-CD2 3.92Å; Y325-F329 HydrophobicContact CE2-CB 3.96Å; Y325-F329 HydrophobicContact CE2-CD2 4.34Å
326N91.8Very high94.2Very high0 Ų026.5 Ų26.50%016%0.157CC..  trans-148.4157.8172.569.487.5000109.9L55 F261 T328 F329 I401L55-N326 HydrophobicContact CD1-CB 3.68Å; L55-N326 HydrophobicContact CD2-CB 4.29Å; F261-N326 HydrophobicContact CE1-CB 4.27Å; N326-T328 PolarHBondContact O-N 3.24Å; N326-T328 VanDerWaalsContact O-N 3.09Å; N326-T328 VanDerWaalsContact OD1-CB 3.26Å; N326-T328 WeakPolarHBondContact OD1-CB 3.18Å; N326-T328 WeakPolarHBondContact OD1-CG2 3.43Å; N326-T328 PolarHBondContact OD1-N 3Å; N326-T328 VanDerWaalsContact OD1-N 3.08Å; N326-T328 PolarHBondContact OD1-OG1 3.38Å; N326-F329 WeakPolarHBondContact ND2-CE1 3.43Å; N326-F329 WeakPolarHBondContact O-CB 3.36Å; N326-F329 PolarHBondContact O-N 3.49Å; N326-F329 VanDerWaalsContact O-N 3.1Å; N326-I401 WeakPolarHBondContact ND2-CD1 3.35Å
327S92.8Very high94.3Very high0 Ų027.3 Ų27.30%016%0.161CC..G310 helixtrans-65.7-14.5-172.8-50.60000114.8F261 S265 F329 L330F261-S327 WeakPolarHBondContact O-CB 3.43Å; F261-S327 PolarHBondContact O-OG 2.86Å; S265-S327 PolarHBondContact OG-OG 3.18Å; S327-F329 PolarHBondContact O-N 3.3Å; S327-L330 WeakPolarHBondContact O-CB 3.21Å; S327-L330 WeakPolarHBondContact O-CD1 3.46Å; S327-L330 VanDerWaalsContact O-CG 3.25Å; S327-L330 WeakPolarHBondContact O-CG 3.39Å; S327-L330 PolarHBondContact O-N 2.94Å
328T91Very high94.3Very high3 Ų325.4 Ų25.42%0.01815%0.152CC..G310 helixtrans-65.8-23174.276.90000112.1F261 N326 L330 G331 A398 F402 I752F261-T328 HydrophobicContact CZ-CG2 4.09Å; N326-T328 PolarHBondContact O-N 3.24Å; N326-T328 VanDerWaalsContact O-N 3.09Å; N326-T328 VanDerWaalsContact OD1-CB 3.26Å; N326-T328 WeakPolarHBondContact OD1-CB 3.18Å; N326-T328 WeakPolarHBondContact OD1-CG2 3.43Å; N326-T328 PolarHBondContact OD1-N 3Å; N326-T328 VanDerWaalsContact OD1-N 3.08Å; N326-T328 PolarHBondContact OD1-OG1 3.38Å; T328-L330 PolarHBondContact O-N 2.97Å; T328-G331 PolarHBondContact O-N 3.07Å; T328-A398 HydrophobicContact CG2-CB 4.08Å; T328-F402 WeakPolarHBondContact O-CD2 3.3Å; T328-F402 WeakPolarHBondContact O-CE2 2.95Å; T328-I752 HydrophobicContact CG2-CD1 3.67Å
329F94.4Very high94.3Very high23 Ų2324.4 Ų24.410%0.10115%0.147CC..G310 helixtrans-65.3-9.8176.7-71.60.1000113.9Y325 N326 S327 G331 V332 P333 I401 F402 N405Y325-F329 HydrophobicContact CD2-CB 4.39Å; Y325-F329 AromaticContact CD2-CD2 3.92Å; Y325-F329 HydrophobicContact CD2-CD2 3.92Å; Y325-F329 HydrophobicContact CE2-CB 3.96Å; Y325-F329 HydrophobicContact CE2-CD2 4.34Å; N326-F329 WeakPolarHBondContact ND2-CE1 3.43Å; N326-F329 WeakPolarHBondContact O-CB 3.36Å; N326-F329 PolarHBondContact O-N 3.49Å; N326-F329 VanDerWaalsContact O-N 3.1Å; S327-F329 PolarHBondContact O-N 3.3Å; F329-G331 PolarHBondContact O-N 3.2Å; F329-G331 VanDerWaalsContact O-N 3.16Å; F329-V332 HydrophobicContact CB-CG2 4.44Å; F329-V332 HydrophobicContact CD1-CG2 4.35Å; F329-V332 PolarHBondContact O-N 2.96Å; F329-P333 VanDerWaalsContact O-CD 3.28Å; F329-P333 WeakPolarHBondContact O-CD 3.34Å; F329-I401 HydrophobicContact CE1-CB 4.37Å; F329-I401 HydrophobicContact CE1-CD1 4.44Å; F329-I401 HydrophobicContact CE1-CG1 3.91Å; F329-I401 HydrophobicContact CZ-CB 4.31Å; F329-I401 HydrophobicContact CZ-CD1 4.47Å; F329-I401 HydrophobicContact CZ-CG1 4.17Å; F329-F402 HydrophobicContact CD1-CD2 4.44Å; F329-F402 HydrophobicContact CE1-CB 4.48Å; F329-N405 HydrophobicContact CE1-CB 4.41Å; F329-N405 HydrophobicContact CZ-CB 4.25Å
330L94.2Very high94.4Very high13 Ų1324 Ų247%0.06814%0.144CC..G310 helixtrans-56.8-25.4170.2-70.4171.9000112.9T264 S268 L272 S327 T328 F334 L819 T820 L823T264-L330 HydrophobicContact CG2-CD1 3.75Å; S268-L330 WeakPolarHBondContact OG-CD2 3.48Å; L272-L330 HydrophobicContact CD1-CD2 3.81Å; S327-L330 WeakPolarHBondContact O-CB 3.21Å; S327-L330 WeakPolarHBondContact O-CD1 3.46Å; S327-L330 VanDerWaalsContact O-CG 3.25Å; S327-L330 WeakPolarHBondContact O-CG 3.39Å; S327-L330 PolarHBondContact O-N 2.94Å; T328-L330 PolarHBondContact O-N 2.97Å; L330-F334 WeakPolarHBondContact O-CD2 3.41Å; L330-L819 HydrophobicContact CD1-CD2 3.99Å; L330-T820 HydrophobicContact CD1-CG2 4.22Å; L330-L823 HydrophobicContact CB-CD1 4Å
331G93.8Very high94.4Very high2 Ų220.6 Ų20.62%0.02113%0.127CC..G310 helixtrans-77.9-24.4175.100000114.7T328 F329 F334 V335T328-G331 PolarHBondContact O-N 3.07Å; F329-G331 PolarHBondContact O-N 3.2Å; F329-G331 VanDerWaalsContact O-N 3.16Å; G331-F334 PolarHBondContact O-N 3.41Å; G331-F334 VanDerWaalsContact O-N 3.12Å; G331-V335 PolarHBondContact O-N 3.19Å; G331-V335 VanDerWaalsContact O-N 3.13Å
332V95.9Very high94.5Very high3 Ų315.5 Ų15.52%0.01810%0.095CC..Hα-helixtrans-61.1-44.9-172.4175.60000112.8F329 F334 V335 M336 F402F329-V332 HydrophobicContact CB-CG2 4.44Å; F329-V332 HydrophobicContact CD1-CG2 4.35Å; F329-V332 PolarHBondContact O-N 2.96Å; V332-F334 PolarHBondContact O-N 2.88Å; V332-V335 PolarHBondContact O-N 3.24Å; V332-M336 HydrophobicContact CG1-CG 4.35Å; V332-M336 WeakPolarHBondContact O-CG 3.11Å; V332-M336 PolarHBondContact O-N 3.11Å; V332-F402 HydrophobicContact CG2-CD2 3.72Å; V332-F402 HydrophobicContact CG2-CE2 3.54Å; V332-F402 HydrophobicContact CG2-CG 4.41Å; V332-F402 HydrophobicContact CG2-CZ 4.09Å
333P94.6Very high94.5Very high61 Ų6113.3 Ų13.340%0.3967%0.073SC..Hα-helixtrans-57.8-33.5176.7-26.936.1000113.5F329 M336 L337F329-P333 VanDerWaalsContact O-CD 3.28Å; F329-P333 WeakPolarHBondContact O-CD 3.34Å; P333-M336 PolarHBondContact O-N 3.22Å; P333-L337 VanDerWaalsContact O-CB 3.29Å; P333-L337 WeakPolarHBondContact O-CB 3.47Å; P333-L337 PolarHBondContact O-N 3.09Å
334F96.1Very high94.7Very high6 Ų612.3 Ų12.33%0.0266%0.062CC..Hα-helixtrans-74.7-40.9177.8-62.3-77.5000111.4L272 L330 G331 V332 M336 L337 G338 Y805 G808 L809 L812 L827L272-F334 HydrophobicContact CD2-CE2 3.9Å; L272-F334 HydrophobicContact CD2-CZ 3.85Å; L330-F334 WeakPolarHBondContact O-CD2 3.41Å; G331-F334 PolarHBondContact O-N 3.41Å; G331-F334 VanDerWaalsContact O-N 3.12Å; V332-F334 PolarHBondContact O-N 2.88Å; F334-M336 PolarHBondContact O-N 2.76Å; F334-L337 WeakPolarHBondContact O-CB 3.48Å; F334-L337 PolarHBondContact O-N 3.37Å; F334-L337 VanDerWaalsContact O-N 3.14Å; F334-G338 PolarHBondContact O-N 3.42Å; F334-Y805 VanDerWaalsContact O-CE2 3.28Å; F334-Y805 WeakPolarHBondContact O-CE2 3.5Å; F334-G808 WeakPolarHBondContact CE1-O 3.41Å; F334-L809 HydrophobicContact CB-CD2 4.5Å; F334-L809 HydrophobicContact CD1-CD2 3.58Å; F334-L809 HydrophobicContact CE1-CD2 4.03Å; F334-L809 HydrophobicContact CG-CD2 4.06Å; F334-L812 HydrophobicContact CD2-CD2 4.13Å; F334-L812 HydrophobicContact CE1-CD1 4.3Å; F334-L812 HydrophobicContact CE1-CD2 4.45Å; F334-L812 HydrophobicContact CE2-CD1 3.85Å; F334-L812 HydrophobicContact CE2-CD2 3.51Å; F334-L812 HydrophobicContact CE2-CG 4.31Å; F334-L812 HydrophobicContact CZ-CD1 3.38Å; F334-L812 HydrophobicContact CZ-CD2 3.71Å; F334-L812 HydrophobicContact CZ-CG 4.19Å; F334-L827 HydrophobicContact CB-CD1 3.74Å; F334-L827 HydrophobicContact CG-CD1 4.22Å
335V96.2Very high94.8Very high3 Ų38.9 Ų8.92%0.0185%0.047CC..Hα-helixtrans-54.8-45.1170.2177.10000110.6G331 V332 H339 F386 F402 I410 Y759G331-V335 PolarHBondContact O-N 3.19Å; G331-V335 VanDerWaalsContact O-N 3.13Å; V332-V335 PolarHBondContact O-N 3.24Å; V335-H339 PolarHBondContact O-N 3.05Å; V335-F386 HydrophobicContact CG1-CE2 3.74Å; V335-F386 HydrophobicContact CG1-CZ 3.8Å; V335-F402 HydrophobicContact CG2-CE1 4.31Å; V335-F402 HydrophobicContact CG2-CZ 3.91Å; V335-I410 HydrophobicContact CG1-CD1 4.41Å; V335-Y759 HydrophobicContact CB-CD2 4.11Å; V335-Y759 HydrophobicContact CB-CE2 4.28Å; V335-Y759 HydrophobicContact CG1-CD2 3.69Å; V335-Y759 HydrophobicContact CG1-CE2 4.03Å; V335-Y759 HydrophobicContact CG2-CD2 3.93Å; V335-Y759 HydrophobicContact CG2-CE2 4.44Å; V335-Y759 HydrophobicContact CG2-CG 4Å
336M97.2Very high94.9Very high1 Ų16.8 Ų6.81%0.0054%0.039CC..Hα-helixtrans-67.1-38.4178-69.1-48.596.200112.6I307 V332 P333 F334 G340 A409 I410I307-M336 HydrophobicContact CG2-CB 3.74Å; V332-M336 HydrophobicContact CG1-CG 4.35Å; V332-M336 WeakPolarHBondContact O-CG 3.11Å; V332-M336 PolarHBondContact O-N 3.11Å; P333-M336 PolarHBondContact O-N 3.22Å; F334-M336 PolarHBondContact O-N 2.76Å; M336-G340 WeakPolarHBondContact O-CA 3.47Å; M336-G340 PolarHBondContact O-N 2.88Å; M336-A409 HydrophobicContact CE-CB 4.09Å; M336-A409 HydrophobicContact CG-CB 4Å; M336-A409 HydrophobicContact SD-CB 3.32Å; M336-A409 WeakPolarHBondContact SD-CB 3.28Å; M336-I410 HydrophobicContact CE-CD1 3.79Å; M336-I410 HydrophobicContact CE-CG1 3.3Å; M336-I410 HydrophobicContact SD-CG1 3.88Å
337L97Very high95.1Very high17 Ų176.9 Ų6.99%0.0894%0.039CC..Hα-helixtrans-59.2-49.8177-170.580.3000110.7V279 L304 P333 F334 L341 Y805V279-L337 HydrophobicContact CG1-CD1 3.65Å; V279-L337 HydrophobicContact CG2-CD2 4.24Å; L304-L337 HydrophobicContact CD2-CD1 3.82Å; P333-L337 VanDerWaalsContact O-CB 3.29Å; P333-L337 WeakPolarHBondContact O-CB 3.47Å; P333-L337 PolarHBondContact O-N 3.09Å; F334-L337 WeakPolarHBondContact O-CB 3.48Å; F334-L337 PolarHBondContact O-N 3.37Å; F334-L337 VanDerWaalsContact O-N 3.14Å; L337-L341 HydrophobicContact CD1-CD1 3.85Å; L337-L341 HydrophobicContact CD1-CG 4.15Å; L337-L341 HydrophobicContact CD2-CD1 4.26Å; L337-L341 HydrophobicContact CG-CD1 3.65Å; L337-L341 HydrophobicContact CG-CG 4.18Å; L337-L341 WeakPolarHBondContact O-CB 3.05Å; L337-L341 WeakPolarHBondContact O-CG 3.49Å; L337-L341 PolarHBondContact O-N 3.41Å; L337-Y805 HydrophobicContact CB-CD2 4.33Å; L337-Y805 HydrophobicContact CB-CE2 4.37Å; L337-Y805 HydrophobicContact CD2-CD2 3.77Å; L337-Y805 HydrophobicContact CD2-CE2 4.32Å; L337-Y805 HydrophobicContact CG-CD2 4.19Å
338G95Very high95.2Very high0 Ų06.9 Ų6.90%04%0.039CC..Hα-helixtrans-63.4-53.1-177.700000112.8F334 Y342 Y759F334-G338 PolarHBondContact O-N 3.42Å; G338-Y342 PolarHBondContact O-N 2.72Å; G338-Y759 WeakPolarHBondContact CA-OH 3.05Å
339H96Very high95.2Very high0 Ų06.7 Ų6.70%04%0.038CC..Hα-helixtrans-63.3-44.8179.7172.963.8000112.3V335 G343 F375 T379 Y382 N413 D766V335-H339 PolarHBondContact O-N 3.05Å; H339-G343 PolarHBondContact O-N 3.37Å; H339-F375 AromaticContact CE1-CE2 3.32Å; H339-F375 WeakPolarHBondContact CE1-CE2 3.1Å; H339-F375 AromaticContact CE1-CZ 3.59Å; H339-F375 AromaticContact ND1-CE2 3.93Å; H339-F375 AromaticContact NE2-CE2 3.74Å; H339-F375 AromaticContact NE2-CZ 3.53Å; H339-T379 PolarHBondContact CE1-OG1 3.16Å; H339-T379 VanDerWaalsContact CE1-OG1 3.31Å; H339-Y382 HydrophobicContact CB-CE1 4.39Å; H339-Y382 HydrophobicContact CB-CE2 4.31Å; H339-Y382 AromaticContact ND1-CD2 3.77Å; H339-Y382 AromaticContact ND1-CE2 3.52Å; H339-N413 PolarHBondContact CD2-ND2 2.67Å; H339-N413 PolarHBondContact NE2-ND2 3.45Å; H339-D766 IonicContact ND1-OD2 2.83Å
340G96.6Very high95.1Very high0 Ų05.8 Ų5.80%04%0.035CC..Hα-helixtrans-72.2-38.9-176.700000114.3M336 Y342 G343 T344M336-G340 WeakPolarHBondContact O-CA 3.47Å; M336-G340 PolarHBondContact O-N 2.88Å; G340-Y342 VanDerWaalsContact C-N 3.35Å; G340-G343 PolarHBondContact O-N 2.65Å; G340-T344 WeakPolarHBondContact O-CG2 3.43Å; G340-T344 PolarHBondContact O-N 3.35Å; G340-T344 VanDerWaalsContact O-N 3.09Å; G340-T344 PolarHBondContact O-OG1 2.92Å
341L95.4Very high95.1Very high2 Ų25.2 Ų5.21%0.013%0.032CC..Hα-helixtrans-64.9-40.7175.6-74180000111.5L304 I307 L337 G343 T344 F345 C804L304-L341 HydrophobicContact CD2-CD2 3.8Å; I307-L341 HydrophobicContact CD1-CD2 4.24Å; I307-L341 HydrophobicContact CD1-CG 4.22Å; L337-L341 HydrophobicContact CD1-CD1 3.85Å; L337-L341 HydrophobicContact CD1-CG 4.15Å; L337-L341 HydrophobicContact CD2-CD1 4.26Å; L337-L341 HydrophobicContact CG-CD1 3.65Å; L337-L341 HydrophobicContact CG-CG 4.18Å; L337-L341 WeakPolarHBondContact O-CB 3.05Å; L337-L341 WeakPolarHBondContact O-CG 3.49Å; L337-L341 PolarHBondContact O-N 3.41Å; L341-G343 PolarHBondContact O-N 3.36Å; L341-T344 WeakPolarHBondContact CA-OG1 3.47Å; L341-T344 PolarHBondContact O-N 3.42Å; L341-T344 PolarHBondContact O-OG1 3.46Å; L341-T344 VanDerWaalsContact O-OG1 3.14Å; L341-F345 HydrophobicContact CB-CD2 4.11Å; L341-F345 HydrophobicContact CB-CE2 4.05Å; L341-F345 HydrophobicContact CD1-CE2 4.5Å; L341-F345 HydrophobicContact CD2-CD2 4.5Å; L341-F345 HydrophobicContact CD2-CE2 3.78Å; L341-F345 HydrophobicContact CD2-CZ 4.18Å; L341-F345 HydrophobicContact CG-CE2 4.34Å; L341-F345 WeakPolarHBondContact O-CB 3.47Å; L341-F345 WeakPolarHBondContact O-CD2 3.35Å; L341-F345 WeakPolarHBondContact O-CG 3.49Å; L341-F345 PolarHBondContact O-N 2.7Å; L341-C804 HydrophobicContact CD1-CB 3.49Å; L341-C804 VanDerWaalsContact CD1-CB 3.49Å
342Y94.1Very high94.9Very high1 Ų16.5 Ų6.50%0.0044%0.036CC..Hα-helixtrans-56.2-53.4175.1169.4-107.6000111.3G338 G340 T344 F345 E346 F375 D766 P770 S801G338-Y342 PolarHBondContact O-N 2.72Å; G340-Y342 VanDerWaalsContact C-N 3.35Å; Y342-T344 PolarHBondContact O-N 3.34Å; Y342-F345 PolarHBondContact O-N 3.18Å; Y342-E346 HydrophobicContact CE2-CB 4.37Å; Y342-E346 VanDerWaalsContact O-CB 3.26Å; Y342-E346 WeakPolarHBondContact O-CB 3.46Å; Y342-E346 PolarHBondContact O-N 3.06Å; Y342-F375 HydrophobicContact CD1-CD2 4.07Å; Y342-F375 HydrophobicContact CD1-CE2 4.42Å; Y342-F375 HydrophobicContact CE1-CD2 4.12Å; Y342-D766 HydrophobicContact CD1-CB 4.07Å; Y342-D766 HydrophobicContact CE1-CB 4.46Å; Y342-D766 WeakPolarHBondContact CE2-O 3.29Å; Y342-D766 HydrophobicContact CG-CB 4.25Å; Y342-P770 WeakPolarHBondContact OH-CG 3.21Å; Y342-S801 PolarHBondContact N-OG 2.96Å
343G94.7Very high94.4Very high1 Ų19.7 Ų9.71%0.015%0.05CC..Hα-helixtrans-60.8-43.5-178.900000113.7H339 G340 L341 M347 F375H339-G343 PolarHBondContact O-N 3.37Å; G340-G343 PolarHBondContact O-N 2.65Å; L341-G343 PolarHBondContact O-N 3.36Å; G343-M347 WeakPolarHBondContact O-CG 3.04Å; G343-M347 PolarHBondContact O-N 3.25Å; G343-F375 VanDerWaalsContact CA-CE2 3.47Å
344T97Very high94.2Very high2 Ų27.7 Ų7.71%0.0124%0.037CC..Hα-helixtrans-70.1-41.6-178.452.70000112.6G340 L341 Y342 L348 V417 Y421G340-T344 WeakPolarHBondContact O-CG2 3.43Å; G340-T344 PolarHBondContact O-N 3.35Å; G340-T344 VanDerWaalsContact O-N 3.09Å; G340-T344 PolarHBondContact O-OG1 2.92Å; L341-T344 WeakPolarHBondContact CA-OG1 3.47Å; L341-T344 PolarHBondContact O-N 3.42Å; L341-T344 PolarHBondContact O-OG1 3.46Å; L341-T344 VanDerWaalsContact O-OG1 3.14Å; Y342-T344 PolarHBondContact O-N 3.34Å; T344-L348 PolarHBondContact O-N 3.16Å; T344-V417 HydrophobicContact CG2-CG2 4.13Å; T344-Y421 HydrophobicContact CG2-CD1 3.95Å; T344-Y421 HydrophobicContact CG2-CD2 3.82Å; T344-Y421 HydrophobicContact CG2-CE1 4.07Å; T344-Y421 HydrophobicContact CG2-CE2 3.95Å; T344-Y421 HydrophobicContact CG2-CG 3.81Å; T344-Y421 VanDerWaalsContact O-CE1 3.26Å; T344-Y421 WeakPolarHBondContact O-CE1 3.41Å; T344-Y421 PolarHBondContact O-OH 3.08Å
345F95.8Very high93.7Very high2 Ų214.8 Ų14.81%0.0096%0.063CC..Hα-helixtrans-72.1-33.9176-70.1-47.4000112.8A283 C286 L341 Y342 L348 S349 A797 Q800 C804A283-F345 HydrophobicContact CB-CZ 4.43Å; C286-F345 HydrophobicContact CB-CE1 4.21Å; C286-F345 HydrophobicContact CB-CZ 4.19Å; L341-F345 HydrophobicContact CB-CD2 4.11Å; L341-F345 HydrophobicContact CB-CE2 4.05Å; L341-F345 HydrophobicContact CD1-CE2 4.5Å; L341-F345 HydrophobicContact CD2-CD2 4.5Å; L341-F345 HydrophobicContact CD2-CE2 3.78Å; L341-F345 HydrophobicContact CD2-CZ 4.18Å; L341-F345 HydrophobicContact CG-CE2 4.34Å; L341-F345 WeakPolarHBondContact O-CB 3.47Å; L341-F345 WeakPolarHBondContact O-CD2 3.35Å; L341-F345 WeakPolarHBondContact O-CG 3.49Å; L341-F345 PolarHBondContact O-N 2.7Å; Y342-F345 PolarHBondContact O-N 3.18Å; F345-L348 PolarHBondContact O-N 3.48Å; F345-S349 WeakPolarHBondContact O-CB 3Å; F345-S349 PolarHBondContact O-N 2.97Å; F345-A797 HydrophobicContact CB-CB 4.11Å; F345-Q800 HydrophobicContact CB-CB 4.44Å; F345-Q800 HydrophobicContact CD1-CB 4.13Å; F345-Q800 HydrophobicContact CD2-CB 3.76Å; F345-Q800 HydrophobicContact CE1-CB 4.3Å; F345-Q800 HydrophobicContact CE2-CB 3.93Å; F345-Q800 HydrophobicContact CG-CB 3.87Å; F345-Q800 HydrophobicContact CZ-CB 4.21Å; F345-C804 HydrophobicContact CE2-CB 4.4Å
346E93.6Very high92.9Very high2 Ų217.9 Ų17.91%0.0098%0.077CC..Hα-helixtrans-64.1-43.5176.3-175.464.3-168.700111.3Y342 L348 S349 S350 S371 H794 A797Y342-E346 HydrophobicContact CE2-CB 4.37Å; Y342-E346 VanDerWaalsContact O-CB 3.26Å; Y342-E346 WeakPolarHBondContact O-CB 3.46Å; Y342-E346 PolarHBondContact O-N 3.06Å; E346-L348 VanDerWaalsContact C-N 3.34Å; E346-L348 PolarHBondContact O-N 3.48Å; E346-S349 WeakPolarHBondContact O-CB 3.49Å; E346-S349 PolarHBondContact O-N 2.7Å; E346-S350 PolarHBondContact O-N 3.43Å; E346-S371 PolarHBondContact O-OG 2.7Å; E346-H794 IonicContact OE1-CE1 2.69Å; E346-H794 PolarHBondContact OE1-CE1 2.84Å; E346-H794 VanDerWaalsContact OE1-CE1 3.3Å; E346-H794 IonicContact OE1-ND1 3.49Å; E346-H794 PolarHBondContact OE1-ND1 3.01Å; E346-H794 IonicContact OE2-ND1 3.52Å; E346-A797 HydrophobicContact CB-CB 4.36Å; E346-A797 VanDerWaalsContact OE2-CB 3.29Å; E346-A797 WeakPolarHBondContact OE2-CB 3.48Å
347M95.9Very high92.2Very high2 Ų223 Ų231%0.0111%0.105CC..Hα-helixtrans-62.4-39.7173.5-74.7-17674.200112.3G343 S350 W351 V367 Y368 M372 V417 Y421 L425G343-M347 WeakPolarHBondContact O-CG 3.04Å; G343-M347 PolarHBondContact O-N 3.25Å; M347-S350 PolarHBondContact O-N 3.08Å; M347-W351 PolarHBondContact O-N 3.3Å; M347-V367 HydrophobicContact CB-CG1 4.06Å; M347-V367 HydrophobicContact CE-CG1 4.16Å; M347-V367 HydrophobicContact CG-CG1 4.27Å; M347-V367 WeakPolarHBondContact O-CG1 3.25Å; M347-Y368 HydrophobicContact CE-CD2 4.07Å; M347-Y368 HydrophobicContact CE-CE2 3.54Å; M347-M372 HydrophobicContact CG-SD 4.45Å; M347-M372 HydrophobicContact SD-SD 3.86Å; M347-V417 HydrophobicContact SD-CG1 3.63Å; M347-Y421 HydrophobicContact CB-CE1 4.01Å; M347-Y421 HydrophobicContact SD-CD1 3.95Å; M347-Y421 HydrophobicContact SD-CE1 4.36Å; M347-L425 HydrophobicContact CE-CD2 4.27Å
348L94.1Very high91.7Very high0 Ų025 Ų250%011%0.113CC..Hα-helixtrans-67-41.5176.3177.557.7000111.9C287 K296 L299 T344 F345 E346 S350 W351 R352C287-L348 HydrophobicContact CB-CD2 4.17Å; C287-L348 WeakPolarHBondContact SG-CD2 3.42Å; K296-L348 HydrophobicContact CD-CD1 4.02Å; L299-L348 HydrophobicContact CD1-CD1 3.76Å; T344-L348 PolarHBondContact O-N 3.16Å; F345-L348 PolarHBondContact O-N 3.48Å; E346-L348 VanDerWaalsContact C-N 3.34Å; E346-L348 PolarHBondContact O-N 3.48Å; L348-S350 VanDerWaalsContact C-N 3.33Å; L348-W351 WeakPolarHBondContact O-CB 3.45Å; L348-W351 PolarHBondContact O-N 3.02Å; L348-R352 HydrophobicContact CD1-CG 4.23Å; L348-R352 WeakPolarHBondContact O-CG 3.37Å; L348-R352 PolarHBondContact O-N 3.3Å
349S92Very high91.6Very high0 Ų029.1 Ų29.10%013%0.133CC..Hα-helixtrans-58.5-46.8174.21770000110.5F345 E346 R352 K353F345-S349 WeakPolarHBondContact O-CB 3Å; F345-S349 PolarHBondContact O-N 2.97Å; E346-S349 WeakPolarHBondContact O-CB 3.49Å; E346-S349 PolarHBondContact O-N 2.7Å; S349-R352 PolarHBondContact O-N 3.46Å; S349-K353 VanDerWaalsContact C-CE 3.43Å; S349-K353 WeakPolarHBondContact O-CE 3.44Å; S349-K353 PolarHBondContact O-N 2.92Å; S349-K353 WeakPolarHBondContact OG-CE 3.43Å; S349-K353 PolarHBondContact OG-NZ 3.49Å
350S92.3Very high91.6Very high4 Ų429.1 Ų29.13%0.02813%0.133CC..Hα-helixtrans-62.7-42.2175.4-168.90000112.6E346 M347 L348 R352 K353 T354 D370 S371E346-S350 PolarHBondContact O-N 3.43Å; M347-S350 PolarHBondContact O-N 3.08Å; L348-S350 VanDerWaalsContact C-N 3.33Å; S350-R352 VanDerWaalsContact C-N 3.32Å; S350-R352 PolarHBondContact O-N 3.24Å; S350-K353 WeakPolarHBondContact O-CB 3.2Å; S350-K353 PolarHBondContact O-N 3.38Å; S350-K353 VanDerWaalsContact O-N 3.08Å; S350-T354 PolarHBondContact O-N 2.98Å; S350-D370 WeakPolarHBondContact CB-OD2 3.42Å; S350-D370 WeakPolarHBondContact OG-CB 3.25Å; S350-D370 PolarHBondContact OG-OD2 2.92Å; S350-S371 WeakPolarHBondContact CB-OG 3.44Å
351W93.3Very high91.6Very high1 Ų131.8 Ų31.80%0.00414%0.144CC..Hα-helixtrans-56.2-46.9175.6178.3-87.5000112.1K296 M347 L348 K353 T354 V360 R363 V367 L425 E432K296-W351 VanDerWaalsContact CE-NE1 3.33Å; M347-W351 PolarHBondContact O-N 3.3Å; L348-W351 WeakPolarHBondContact O-CB 3.45Å; L348-W351 PolarHBondContact O-N 3.02Å; W351-K353 PolarHBondContact O-N 2.63Å; W351-T354 WeakPolarHBondContact O-CB 3.49Å; W351-T354 PolarHBondContact O-N 3.14Å; W351-T354 PolarHBondContact O-OG1 3.3Å; W351-V360 HydrophobicContact CH2-CG1 4.1Å; W351-R363 HydrophobicContact CE3-CB 4.3Å; W351-R363 HydrophobicContact CH2-CB 3.74Å; W351-R363 HydrophobicContact CZ2-CB 4.45Å; W351-R363 HydrophobicContact CZ3-CB 3.67Å; W351-V367 HydrophobicContact CB-CG2 3.89Å; W351-V367 HydrophobicContact CE3-CG2 3.99Å; W351-L425 HydrophobicContact CB-CD1 3.95Å; W351-L425 HydrophobicContact CB-CD2 4.33Å; W351-L425 HydrophobicContact CD2-CD1 3.9Å; W351-L425 HydrophobicContact CD2-CD2 4.36Å; W351-L425 HydrophobicContact CD2-CG 4.04Å; W351-L425 HydrophobicContact CE3-CD1 4.06Å; W351-L425 HydrophobicContact CE3-CD2 3.75Å; W351-L425 HydrophobicContact CE3-CG 3.66Å; W351-L425 HydrophobicContact CG-CD1 3.84Å; W351-L425 HydrophobicContact CG-CG 4.42Å; W351-L425 HydrophobicContact CZ3-CG 4.25Å; W351-E432 PolarHBondContact NE1-OE2 2.72Å
352R89.7Confident91.6Very high29 Ų2936.9 Ų36.911%0.10917%0.168CC..Hα-helixtrans-68.1-16.9-178.7-69.2172.2171.7177.9-8.5113.5C287 L348 S349 S350 Y478 H481C287-R352 PolarHBondContact O-NH2 3.29Å; L348-R352 HydrophobicContact CD1-CG 4.23Å; L348-R352 WeakPolarHBondContact O-CG 3.37Å; L348-R352 PolarHBondContact O-N 3.3Å; S349-R352 PolarHBondContact O-N 3.46Å; S350-R352 VanDerWaalsContact C-N 3.32Å; S350-R352 PolarHBondContact O-N 3.24Å; R352-Y478 HydrophobicContact CB-CD2 3.51Å; R352-Y478 HydrophobicContact CB-CE2 3.43Å; R352-Y478 VanDerWaalsContact CB-CE2 3.43Å; R352-Y478 HydrophobicContact CG-CE2 4.47Å; R352-Y478 WeakPolarHBondContact O-CD2 3.26Å; R352-H481 PolarHBondContact NH1-CD2 2.75Å; R352-H481 PolarHBondContact NH1-NE2 3.06Å
353K86.9Confident91.7Very high69 Ų6937 Ų3730%0.317%0.168SC..Hα-helixtrans-86.3-12.5172.5-75173.9-90.2171.20113.3S349 S350 W351 Y478 V793S349-K353 VanDerWaalsContact C-CE 3.43Å; S349-K353 WeakPolarHBondContact O-CE 3.44Å; S349-K353 PolarHBondContact O-N 2.92Å; S349-K353 WeakPolarHBondContact OG-CE 3.43Å; S349-K353 PolarHBondContact OG-NZ 3.49Å; S350-K353 WeakPolarHBondContact O-CB 3.2Å; S350-K353 PolarHBondContact O-N 3.38Å; S350-K353 VanDerWaalsContact O-N 3.08Å; W351-K353 PolarHBondContact O-N 2.63Å; K353-Y478 HydrophobicContact CG-CD1 4.27Å; K353-Y478 HydrophobicContact CG-CE1 3.93Å; K353-Y478 HydrophobicContact CG-CE2 4.43Å; K353-V793 PolarHBondContact NZ-O 3.09Å
354T90.3Very high91.8Very high20 Ų2037 Ų3712%0.12317%0.168CC..SBendtrans-73.5154176.264.50000111.6S350 W351 R363 A366 V367S350-T354 PolarHBondContact O-N 2.98Å; W351-T354 WeakPolarHBondContact O-CB 3.49Å; W351-T354 PolarHBondContact O-N 3.14Å; W351-T354 PolarHBondContact O-OG1 3.3Å; T354-R363 HydrophobicContact CG2-CB 4.46Å; T354-R363 PolarHBondContact OG1-NE 3.45Å; T354-R363 PolarHBondContact OG1-NH2 3.21Å; T354-A366 HydrophobicContact CG2-CB 4.15Å; T354-V367 HydrophobicContact CG2-CG2 4.05Å
355R85.1Confident91.8Very high155 Ų15537.2 Ų37.259%0.58517%0.171SC*.  trans-75.6135.7176.2-59.1169.846163.51.2110.9D357 Q358 R363R355-D357 VanDerWaalsContact C-N 3.29Å; R355-D357 WeakPolarHBondContact CB-OD1 3.16Å; R355-D357 IonicContact CZ-OD1 2.71Å; R355-D357 IonicContact CZ-OD2 3.75Å; R355-D357 IonicContact NE-OD1 2.64Å; R355-D357 PolarHBondContact NE-OD1 3.36Å; R355-D357 IonicContact NE-OD2 2.91Å; R355-D357 IonicContact NH2-OD1 2.59Å; R355-D357 PolarHBondContact NH2-OD1 3.41Å; R355-D357 IonicContact NH2-OD2 3.4Å; R355-D357 PolarHBondContact NH2-OD2 3Å; R355-D357 PolarHBondContact O-N 3.01Å; R355-Q358 HydrophobicContact CB-CG 4.32Å; R355-Q358 PolarHBondContact O-N 3.36Å; R355-R363 WeakPolarHBondContact O-CD 3.33Å
356E80Confident91.8Very high67 Ų6739 Ų3931%0.31319%0.186SC..THydrogen-bonded Turntrans-73.6-20.3-174.2-64.2180177.400113.7R294 Q358R294-E356 WeakPolarHBondContact CD-OE1 3.4Å; R294-E356 IonicContact CZ-OE1 3.56Å; R294-E356 IonicContact CZ-OE2 2.7Å; R294-E356 IonicContact NE-OE1 2.66Å; R294-E356 PolarHBondContact NE-OE1 3.44Å; R294-E356 IonicContact NE-OE2 3.45Å; R294-E356 PolarHBondContact NE-OE2 3.2Å; R294-E356 IonicContact NH2-OE1 3.61Å; R294-E356 PolarHBondContact NH2-OE1 2.9Å; R294-E356 IonicContact NH2-OE2 3.72Å; R294-E356 PolarHBondContact NH2-OE2 3.43Å; E356-Q358 VanDerWaalsContact C-N 3.25Å; E356-Q358 PolarHBondContact O-N 2.69Å
357D81.1Confident91.9Very high109 Ų10939 Ų3958%0.58319%0.185SC*.THydrogen-bonded Turntrans-75.2-13.8177.366.8-51.5000113.5R355R355-D357 VanDerWaalsContact C-N 3.29Å; R355-D357 WeakPolarHBondContact CB-OD1 3.16Å; R355-D357 IonicContact CZ-OD1 2.71Å; R355-D357 IonicContact CZ-OD2 3.75Å; R355-D357 IonicContact NE-OD1 2.64Å; R355-D357 PolarHBondContact NE-OD1 3.36Å; R355-D357 IonicContact NE-OD2 2.91Å; R355-D357 IonicContact NH2-OD1 2.59Å; R355-D357 PolarHBondContact NH2-OD1 3.41Å; R355-D357 IonicContact NH2-OD2 3.4Å; R355-D357 PolarHBondContact NH2-OD2 3Å; R355-D357 PolarHBondContact O-N 3.01Å
358Q88Confident92Very high58 Ų5838.9 Ų38.927%0.27119%0.185SC..SBendtrans-78.3144.6178-68.8178.9-9.700111.7R355 E356 R363R355-Q358 HydrophobicContact CB-CG 4.32Å; R355-Q358 PolarHBondContact O-N 3.36Å; E356-Q358 VanDerWaalsContact C-N 3.25Å; E356-Q358 PolarHBondContact O-N 2.69Å; Q358-R363 HydrophobicContact CB-CG 3.67Å; Q358-R363 VanDerWaalsContact O-CD 3.23Å; Q358-R363 WeakPolarHBondContact O-CD 3.33Å
359H92.8Very high92Very high88 Ų8839.4 Ų39.441%0.40719%0.189SC..  trans-61.5143.9175.8-174.7-98.2000111.2K361 E362 R363H359-K361 PolarHBondContact ND1-N 2.98Å; H359-K361 PolarHBondContact O-N 2.95Å; H359-E362 WeakPolarHBondContact O-CA 3.23Å; H359-E362 WeakPolarHBondContact O-CB 3.45Å; H359-E362 PolarHBondContact O-N 3.38Å; H359-R363 PolarHBondContact O-N 3.42Å
360V95Very high91.9Very high0 Ų042.3 Ų42.30%021%0.205CC..Hα-helixtrans-49.5-39.2-176.1175.20000113.1W351 E362 R363 T364 V426 Y430 N433W351-V360 HydrophobicContact CH2-CG1 4.1Å; V360-E362 PolarHBondContact O-N 3.11Å; V360-R363 PolarHBondContact O-N 3.42Å; V360-T364 WeakPolarHBondContact O-CB 3.42Å; V360-T364 PolarHBondContact O-N 3.45Å; V360-T364 PolarHBondContact O-OG1 3.11Å; V360-V426 HydrophobicContact CG1-CG1 4.07Å; V360-Y430 HydrophobicContact CB-CD1 4.32Å; V360-Y430 HydrophobicContact CB-CE1 4.04Å; V360-Y430 HydrophobicContact CB-CE2 4.25Å; V360-Y430 HydrophobicContact CG1-CD2 3.94Å; V360-Y430 HydrophobicContact CG1-CE1 4.48Å; V360-Y430 HydrophobicContact CG1-CE2 3.84Å; V360-Y430 HydrophobicContact CG1-CG 4.31Å; V360-Y430 HydrophobicContact CG2-CD1 3.81Å; V360-Y430 HydrophobicContact CG2-CE1 3.96Å; V360-Y430 HydrophobicContact CG2-CG 4.12Å; V360-N433 HydrophobicContact CG2-CB 3.87Å
361K96.1Very high91.9Very high56 Ų5642.1 Ų42.124%0.24320%0.204CC..Hα-helixtrans-64.4-37.3177.7-65.4-177.9178.5-163.30113.3A22 S23 H359 A365A22-K361 HydrophobicContact CB-CB 4.13Å; A22-K361 HydrophobicContact CB-CG 3.85Å; S23-K361 PolarHBondContact OG-NZ 3.46Å; H359-K361 PolarHBondContact ND1-N 2.98Å; H359-K361 PolarHBondContact O-N 2.95Å; K361-A365 WeakPolarHBondContact O-CB 3.36Å; K361-A365 PolarHBondContact O-N 3.38Å
362E96.1Very high91.8Very high109 Ų10942.1 Ų42.151%0.50920%0.204SC..Hα-helixtrans-74.9-41.8178.5-63.8179.2176.200110.9H359 V360 T364 A365 A366H359-E362 WeakPolarHBondContact O-CA 3.23Å; H359-E362 WeakPolarHBondContact O-CB 3.45Å; H359-E362 PolarHBondContact O-N 3.38Å; V360-E362 PolarHBondContact O-N 3.11Å; E362-T364 VanDerWaalsContact C-N 3.31Å; E362-T364 PolarHBondContact O-N 3.27Å; E362-A365 WeakPolarHBondContact O-CB 3.5Å; E362-A365 PolarHBondContact O-N 2.99Å; E362-A366 PolarHBondContact O-N 3.1Å
363R95.4Very high91.8Very high3 Ų341.9 Ų41.91%0.01120%0.204CC..Hα-helixtrans-57.4-45.6172.4-64.9-179.866.7-1762.2111.1W351 T354 R355 Q358 H359 V360 A365 A366 V367 E432W351-R363 HydrophobicContact CE3-CB 4.3Å; W351-R363 HydrophobicContact CH2-CB 3.74Å; W351-R363 HydrophobicContact CZ2-CB 4.45Å; W351-R363 HydrophobicContact CZ3-CB 3.67Å; T354-R363 HydrophobicContact CG2-CB 4.46Å; T354-R363 PolarHBondContact OG1-NE 3.45Å; T354-R363 PolarHBondContact OG1-NH2 3.21Å; R355-R363 WeakPolarHBondContact O-CD 3.33Å; Q358-R363 HydrophobicContact CB-CG 3.67Å; Q358-R363 VanDerWaalsContact O-CD 3.23Å; Q358-R363 WeakPolarHBondContact O-CD 3.33Å; H359-R363 PolarHBondContact O-N 3.42Å; V360-R363 PolarHBondContact O-N 3.42Å; R363-A365 PolarHBondContact O-N 3.25Å; R363-A366 WeakPolarHBondContact O-CB 3.33Å; R363-A366 PolarHBondContact O-N 3.09Å; R363-V367 WeakPolarHBondContact O-CG2 3.15Å; R363-V367 PolarHBondContact O-N 2.93Å; R363-E432 IonicContact CZ-OE1 3.91Å; R363-E432 VanDerWaalsContact CZ-OE1 3.29Å; R363-E432 IonicContact NH1-OE1 3.6Å; R363-E432 PolarHBondContact NH1-OE1 2.81Å; R363-E432 IonicContact NH2-OE1 2.85Å; R363-E432 PolarHBondContact NH2-OE1 3.14Å; R363-E432 IonicContact NH2-OE2 2.87Å
364T96.8Very high91.7Very high0 Ų040 Ų400%020%0.2CC..Hα-helixtrans-62.2-44.3176.5-51.20000111.5A22 V360 E362 A366 V367 Y368 V426A22-T364 HydrophobicContact CB-CG2 4.08Å; V360-T364 WeakPolarHBondContact O-CB 3.42Å; V360-T364 PolarHBondContact O-N 3.45Å; V360-T364 PolarHBondContact O-OG1 3.11Å; E362-T364 VanDerWaalsContact C-N 3.31Å; E362-T364 PolarHBondContact O-N 3.27Å; T364-A366 VanDerWaalsContact C-N 3.28Å; T364-A366 PolarHBondContact O-N 2.56Å; T364-V367 PolarHBondContact O-N 3.12Å; T364-Y368 HydrophobicContact CG2-CD2 3.92Å; T364-Y368 HydrophobicContact CG2-CE2 3.73Å; T364-Y368 VanDerWaalsContact O-CD2 3.24Å; T364-Y368 WeakPolarHBondContact O-CD2 3.37Å; T364-Y368 PolarHBondContact O-N 3.07Å; T364-V426 HydrophobicContact CG2-CG2 3.78Å
365A97.2Very high91.8Very high8 Ų839.1 Ų39.17%0.06620%0.195CC..Hα-helixtrans-60.3-37.717600000112.4S15 H19 K361 E362 R363 A369S15-A365 WeakPolarHBondContact CA-O 3.49Å; S15-A365 VanDerWaalsContact O-CB 3.29Å; S15-A365 WeakPolarHBondContact O-CB 3.07Å; H19-A365 HydrophobicContact CB-CB 4.15Å; K361-A365 WeakPolarHBondContact O-CB 3.36Å; K361-A365 PolarHBondContact O-N 3.38Å; E362-A365 WeakPolarHBondContact O-CB 3.5Å; E362-A365 PolarHBondContact O-N 2.99Å; R363-A365 PolarHBondContact O-N 3.25Å; A365-A369 WeakPolarHBondContact O-CB 3.41Å; A365-A369 PolarHBondContact O-N 3.22Å; A365-A369 VanDerWaalsContact O-N 3.13Å
366A95.8Very high92.1Very high40 Ų4032.9 Ų32.933%0.33118%0.175SC..Hα-helixtrans-66.3-45.7175.500000111.9T354 E362 R363 T364 Y368 A369 D370T354-A366 HydrophobicContact CG2-CB 4.15Å; E362-A366 PolarHBondContact O-N 3.1Å; R363-A366 WeakPolarHBondContact O-CB 3.33Å; R363-A366 PolarHBondContact O-N 3.09Å; T364-A366 VanDerWaalsContact C-N 3.28Å; T364-A366 PolarHBondContact O-N 2.56Å; A366-Y368 VanDerWaalsContact C-N 3.35Å; A366-Y368 PolarHBondContact O-N 3.37Å; A366-A369 PolarHBondContact O-N 3.42Å; A366-D370 WeakPolarHBondContact O-CB 3.36Å; A366-D370 PolarHBondContact O-N 3.08Å; A366-D370 VanDerWaalsContact O-N 3.11Å
367V96.3Very high92.4Very high0 Ų033 Ų330%018%0.177CC..Hα-helixtrans-58.3-45.5176.9170.70000111.8M347 W351 T354 R363 T364 A369 D370 S371 L425M347-V367 HydrophobicContact CB-CG1 4.06Å; M347-V367 HydrophobicContact CE-CG1 4.16Å; M347-V367 HydrophobicContact CG-CG1 4.27Å; M347-V367 WeakPolarHBondContact O-CG1 3.25Å; W351-V367 HydrophobicContact CB-CG2 3.89Å; W351-V367 HydrophobicContact CE3-CG2 3.99Å; T354-V367 HydrophobicContact CG2-CG2 4.05Å; R363-V367 WeakPolarHBondContact O-CG2 3.15Å; R363-V367 PolarHBondContact O-N 2.93Å; T364-V367 PolarHBondContact O-N 3.12Å; V367-A369 VanDerWaalsContact C-N 3.34Å; V367-A369 PolarHBondContact O-N 3.09Å; V367-D370 PolarHBondContact O-N 3.08Å; V367-S371 PolarHBondContact O-N 3.15Å; V367-L425 HydrophobicContact CB-CD2 4.47Å; V367-L425 HydrophobicContact CG1-CD2 3.93Å; V367-L425 HydrophobicContact CG2-CD2 4.49Å
368Y97.3Very high92.8Very high0 Ų027.9 Ų27.90%015%0.15CC..Hα-helixtrans-64.3-41.4178.6-85.6-117.7000111.8F14 L17 I21 M347 T364 A366 D370 M372 L418 G422F14-Y368 WeakPolarHBondContact CB-O 3.37Å; F14-Y368 WeakPolarHBondContact O-CB 3.41Å; L17-Y368 HydrophobicContact CG-CD1 4.47Å; I21-Y368 HydrophobicContact CD1-CE1 3.56Å; I21-Y368 WeakPolarHBondContact CD1-OH 3.39Å; M347-Y368 HydrophobicContact CE-CD2 4.07Å; M347-Y368 HydrophobicContact CE-CE2 3.54Å; T364-Y368 HydrophobicContact CG2-CD2 3.92Å; T364-Y368 HydrophobicContact CG2-CE2 3.73Å; T364-Y368 VanDerWaalsContact O-CD2 3.24Å; T364-Y368 WeakPolarHBondContact O-CD2 3.37Å; T364-Y368 PolarHBondContact O-N 3.07Å; A366-Y368 VanDerWaalsContact C-N 3.35Å; A366-Y368 PolarHBondContact O-N 3.37Å; Y368-D370 PolarHBondContact O-N 2.78Å; Y368-M372 HydrophobicContact CD1-CG 3.81Å; Y368-M372 HydrophobicContact CE1-CG 4.31Å; Y368-M372 HydrophobicContact CG-CG 4.07Å; Y368-M372 WeakPolarHBondContact O-CB 3.34Å; Y368-M372 PolarHBondContact O-N 3.29Å; Y368-L418 HydrophobicContact CE1-CG 4.33Å; Y368-L418 PolarHBondContact OH-O 3.4Å; Y368-G422 WeakPolarHBondContact OH-CA 3.2Å
369A93.8Very high93.1Very high11 Ų1125.3 Ų25.39%0.09114%0.138CC..Hα-helixtrans-67.6-16.4178.700000113.9R11 A365 A366 V367R11-A369 WeakPolarHBondContact CG-O 3.42Å; R11-A369 PolarHBondContact NE-O 3.07Å; A365-A369 WeakPolarHBondContact O-CB 3.41Å; A365-A369 PolarHBondContact O-N 3.22Å; A365-A369 VanDerWaalsContact O-N 3.13Å; A366-A369 PolarHBondContact O-N 3.42Å; V367-A369 VanDerWaalsContact C-N 3.34Å; V367-A369 PolarHBondContact O-N 3.09Å
370D90.4Very high93Very high61 Ų6123.3 Ų23.333%0.32614%0.136SC..Hα-helixtrans-100.2-56.1-178.7-169.754.5000111.4S350 A366 V367 Y368S350-D370 WeakPolarHBondContact CB-OD2 3.42Å; S350-D370 WeakPolarHBondContact OG-CB 3.25Å; S350-D370 PolarHBondContact OG-OD2 2.92Å; A366-D370 WeakPolarHBondContact O-CB 3.36Å; A366-D370 PolarHBondContact O-N 3.08Å; A366-D370 VanDerWaalsContact O-N 3.11Å; V367-D370 PolarHBondContact O-N 3.08Å; Y368-D370 PolarHBondContact O-N 2.78Å
371S92.4Very high92.8Very high1 Ų123.7 Ų23.71%0.00714%0.138CC..Hα-helixtrans-86.1-38.7-172.3-54.10000114.3E346 S350 V367 L373 S374 F375E346-S371 PolarHBondContact O-OG 2.7Å; S350-S371 WeakPolarHBondContact CB-OG 3.44Å; V367-S371 PolarHBondContact O-N 3.15Å; S371-L373 VanDerWaalsContact C-N 3.29Å; S371-L373 PolarHBondContact O-N 3.27Å; S371-S374 PolarHBondContact O-N 3.48Å; S371-F375 PolarHBondContact O-N 3.24Å; S371-F375 VanDerWaalsContact O-N 3.08Å
372M92.2Very high92.7Very high0 Ų021 Ų210%013%0.127CC..Hα-helixtrans-72-23.2-168.7-69-58.7-60.300113.5F14 M347 Y368 F375 S376 Y414 V417 L418F14-M372 HydrophobicContact CD1-CB 3.72Å; F14-M372 HydrophobicContact CE1-CB 3.95Å; F14-M372 HydrophobicContact CG-CB 4.04Å; F14-M372 HydrophobicContact CZ-CB 4.45Å; M347-M372 HydrophobicContact CG-SD 4.45Å; M347-M372 HydrophobicContact SD-SD 3.86Å; Y368-M372 HydrophobicContact CD1-CG 3.81Å; Y368-M372 HydrophobicContact CE1-CG 4.31Å; Y368-M372 HydrophobicContact CG-CG 4.07Å; Y368-M372 WeakPolarHBondContact O-CB 3.34Å; Y368-M372 PolarHBondContact O-N 3.29Å; M372-F375 HydrophobicContact CE-CD1 3.95Å; M372-F375 HydrophobicContact SD-CD1 4.17Å; M372-S376 VanDerWaalsContact O-CB 3.23Å; M372-S376 WeakPolarHBondContact O-CB 3.21Å; M372-S376 PolarHBondContact O-N 3.46Å; M372-S376 PolarHBondContact O-OG 2.99Å; M372-Y414 HydrophobicContact CE-CD2 4.39Å; M372-Y414 HydrophobicContact CE-CE2 3.74Å; M372-V417 HydrophobicContact SD-CG1 4.46Å; M372-L418 HydrophobicContact CE-CB 4.12Å; M372-L418 HydrophobicContact CE-CD1 4.2Å; M372-L418 HydrophobicContact CE-CG 4.45Å
373L87.7Confident92.7Very high24 Ų2418.2 Ų18.213%0.12612%0.115CC..Hα-helixtrans-65.1-50.9175.5179.260.4000111.2H7 L10 R11 F14 S371 S376 L377H7-L373 VanDerWaalsContact CD2-CD2 3.44Å; H7-L373 WeakPolarHBondContact CD2-CD2 3.39Å; H7-L373 VanDerWaalsContact NE2-CD2 3.31Å; H7-L373 WeakPolarHBondContact NE2-CD2 3.48Å; L10-L373 HydrophobicContact CB-CD1 3.93Å; L10-L373 HydrophobicContact CD1-CD1 3.76Å; L10-L373 HydrophobicContact CG-CD1 4.45Å; R11-L373 HydrophobicContact CG-CD2 4.02Å; F14-L373 HydrophobicContact CD2-CB 4.32Å; F14-L373 HydrophobicContact CE2-CB 4.28Å; F14-L373 HydrophobicContact CE2-CD1 4.15Å; S371-L373 VanDerWaalsContact C-N 3.29Å; S371-L373 PolarHBondContact O-N 3.27Å; L373-S376 PolarHBondContact O-N 3.27Å; L373-L377 PolarHBondContact O-N 3.38Å
374S86.7Confident92.6Very high29 Ų2920.6 Ų20.620%0.20313%0.13CC..Hα-helixtrans-64.2-46.8178-59.30000110.8S371 S376 L377 T378S371-S374 PolarHBondContact O-N 3.48Å; S374-S376 VanDerWaalsContact C-N 3.33Å; S374-S376 PolarHBondContact O-N 3.19Å; S374-L377 WeakPolarHBondContact O-CB 3.5Å; S374-L377 PolarHBondContact O-N 3.1Å; S374-L377 VanDerWaalsContact O-N 3.13Å; S374-T378 PolarHBondContact O-N 3.16Å
375F91.6Very high92.3Very high3 Ų320.6 Ų20.61%0.01313%0.13CC..Hα-helixtrans-62.4-37.1179.4-173.9-119.2000112.9H339 Y342 G343 S371 M372 L377 T378 T379 Y414 V417H339-F375 AromaticContact CE1-CE2 3.32Å; H339-F375 WeakPolarHBondContact CE1-CE2 3.1Å; H339-F375 AromaticContact CE1-CZ 3.59Å; H339-F375 AromaticContact ND1-CE2 3.93Å; H339-F375 AromaticContact NE2-CE2 3.74Å; H339-F375 AromaticContact NE2-CZ 3.53Å; Y342-F375 HydrophobicContact CD1-CD2 4.07Å; Y342-F375 HydrophobicContact CD1-CE2 4.42Å; Y342-F375 HydrophobicContact CE1-CD2 4.12Å; G343-F375 VanDerWaalsContact CA-CE2 3.47Å; S371-F375 PolarHBondContact O-N 3.24Å; S371-F375 VanDerWaalsContact O-N 3.08Å; M372-F375 HydrophobicContact CE-CD1 3.95Å; M372-F375 HydrophobicContact SD-CD1 4.17Å; F375-L377 VanDerWaalsContact C-N 3.35Å; F375-T378 PolarHBondContact O-N 2.81Å; F375-T378 PolarHBondContact O-OG1 2.89Å; F375-T379 VanDerWaalsContact O-CB 3.28Å; F375-T379 WeakPolarHBondContact O-CB 3.36Å; F375-T379 PolarHBondContact O-N 3.43Å; F375-T379 PolarHBondContact O-OG1 3.24Å; F375-Y414 AromaticContact CD1-CD2 3.89Å; F375-Y414 HydrophobicContact CD1-CD2 3.89Å; F375-Y414 HydrophobicContact CD1-CE2 4.21Å; F375-Y414 AromaticContact CE1-CD2 3.79Å; F375-Y414 HydrophobicContact CE1-CD2 3.79Å; F375-V417 HydrophobicContact CD1-CG1 4.29Å; F375-V417 HydrophobicContact CE1-CB 3.95Å; F375-V417 HydrophobicContact CE1-CG1 3.8Å; F375-V417 HydrophobicContact CE1-CG2 4.2Å; F375-V417 HydrophobicContact CZ-CB 4.5Å; F375-V417 HydrophobicContact CZ-CG1 4.46Å; F375-V417 HydrophobicContact CZ-CG2 4.25Å
376S91.4Very high92.3Very high24 Ų2420.2 Ų20.217%0.16813%0.126CC..Hα-helixtrans-65.2-38.8175-58.20000112F14 M372 L373 S374 A380 Y414F14-S376 VanDerWaalsContact CZ-OG 3.31Å; F14-S376 WeakPolarHBondContact CZ-OG 3.17Å; M372-S376 VanDerWaalsContact O-CB 3.23Å; M372-S376 WeakPolarHBondContact O-CB 3.21Å; M372-S376 PolarHBondContact O-N 3.46Å; M372-S376 PolarHBondContact O-OG 2.99Å; L373-S376 PolarHBondContact O-N 3.27Å; S374-S376 VanDerWaalsContact C-N 3.33Å; S374-S376 PolarHBondContact O-N 3.19Å; S376-A380 WeakPolarHBondContact O-CB 3.47Å; S376-A380 PolarHBondContact O-N 3.01Å; S376-Y414 VanDerWaalsContact OG-CE2 3.24Å; S376-Y414 WeakPolarHBondContact OG-CE2 3.41Å; S376-Y414 PolarHBondContact OG-OH 2.87Å
377L87Confident92.2Very high68 Ų6819.8 Ų19.836%0.35613%0.126SC..Hα-helixtrans-66.3-45.1178179.362.6000111.2L373 S374 F375 A380 M381L373-L377 PolarHBondContact O-N 3.38Å; S374-L377 WeakPolarHBondContact O-CB 3.5Å; S374-L377 PolarHBondContact O-N 3.1Å; S374-L377 VanDerWaalsContact O-N 3.13Å; F375-L377 VanDerWaalsContact C-N 3.35Å; L377-A380 PolarHBondContact O-N 3.09Å; L377-M381 HydrophobicContact CD1-CE 4.24Å; L377-M381 WeakPolarHBondContact O-CG 3.48Å; L377-M381 PolarHBondContact O-N 3.08Å
378T89.2Confident92Very high3 Ų322.4 Ų22.42%0.01814%0.14CC..Hα-helixtrans-69.1-40.9178.870.70000111.2S374 F375 A380 M381 Y382 I765 D766S374-T378 PolarHBondContact O-N 3.16Å; F375-T378 PolarHBondContact O-N 2.81Å; F375-T378 PolarHBondContact O-OG1 2.89Å; T378-A380 VanDerWaalsContact C-N 3.28Å; T378-A380 PolarHBondContact O-N 3.4Å; T378-M381 WeakPolarHBondContact O-CA 3.31Å; T378-M381 VanDerWaalsContact O-CB 3.3Å; T378-M381 WeakPolarHBondContact O-CB 3.36Å; T378-M381 PolarHBondContact O-N 2.69Å; T378-Y382 WeakPolarHBondContact O-CD2 3.41Å; T378-Y382 PolarHBondContact O-N 3.23Å; T378-Y382 VanDerWaalsContact O-N 3.16Å; T378-I765 HydrophobicContact CG2-CG2 4.27Å; T378-D766 WeakPolarHBondContact CB-OD1 3.49Å; T378-D766 PolarHBondContact OG1-OD1 3.02Å
379T93.9Very high91.6Very high4 Ų422.4 Ų22.43%0.02514%0.14CC..Hα-helixtrans-54.1-44171.2-56.30000111.7H339 F375 M381 Y382 L383 I410 Y414H339-T379 PolarHBondContact CE1-OG1 3.16Å; H339-T379 VanDerWaalsContact CE1-OG1 3.31Å; F375-T379 VanDerWaalsContact O-CB 3.28Å; F375-T379 WeakPolarHBondContact O-CB 3.36Å; F375-T379 PolarHBondContact O-N 3.43Å; F375-T379 PolarHBondContact O-OG1 3.24Å; T379-M381 VanDerWaalsContact C-N 3.27Å; T379-M381 PolarHBondContact O-N 3.49Å; T379-Y382 WeakPolarHBondContact O-CB 3.26Å; T379-Y382 PolarHBondContact O-N 3.5Å; T379-L383 HydrophobicContact CG2-CD1 4.37Å; T379-L383 HydrophobicContact CG2-CG 4.45Å; T379-L383 WeakPolarHBondContact O-CG 3.25Å; T379-L383 PolarHBondContact O-N 3.49Å; T379-I410 HydrophobicContact CG2-CG2 3.83Å; T379-Y414 HydrophobicContact CG2-CD2 3.96Å; T379-Y414 HydrophobicContact CG2-CG 3.94Å
380A91.5Very high91.6Very high45 Ų4523 Ų2337%0.37215%0.145SC..Hα-helixtrans-61.7-34.8177.600000112.6S376 L377 T378 L383 V384S376-A380 WeakPolarHBondContact O-CB 3.47Å; S376-A380 PolarHBondContact O-N 3.01Å; L377-A380 PolarHBondContact O-N 3.09Å; T378-A380 VanDerWaalsContact C-N 3.28Å; T378-A380 PolarHBondContact O-N 3.4Å; A380-L383 PolarHBondContact O-N 3.06Å; A380-V384 PolarHBondContact O-N 3.44Å; A380-V384 VanDerWaalsContact O-N 3.16Å
381M90.4Very high91.6Very high8 Ų821 Ų214%0.03914%0.135CC..Hα-helixtrans-63.2-44.6174.1-64.3-71.3169.900111.4L377 T378 T379 L383 V384 T385 L710 L711 N762 I765L377-M381 HydrophobicContact CD1-CE 4.24Å; L377-M381 WeakPolarHBondContact O-CG 3.48Å; L377-M381 PolarHBondContact O-N 3.08Å; T378-M381 WeakPolarHBondContact O-CA 3.31Å; T378-M381 VanDerWaalsContact O-CB 3.3Å; T378-M381 WeakPolarHBondContact O-CB 3.36Å; T378-M381 PolarHBondContact O-N 2.69Å; T379-M381 VanDerWaalsContact C-N 3.27Å; T379-M381 PolarHBondContact O-N 3.49Å; M381-L383 PolarHBondContact O-N 3.27Å; M381-V384 PolarHBondContact O-N 2.89Å; M381-T385 WeakPolarHBondContact O-CB 3.4Å; M381-T385 WeakPolarHBondContact O-CG2 3.45Å; M381-T385 PolarHBondContact O-N 3.46Å; M381-T385 PolarHBondContact O-OG1 3.01Å; M381-L710 HydrophobicContact CE-CB 3.75Å; M381-L710 HydrophobicContact CE-CD1 4.4Å; M381-L710 HydrophobicContact SD-CB 3.57Å; M381-L710 VanDerWaalsContact SD-CB 3.57Å; M381-L710 HydrophobicContact SD-CD1 3.53Å; M381-L710 VanDerWaalsContact SD-CD1 3.53Å; M381-L710 HydrophobicContact SD-CG 4.25Å; M381-L711 HydrophobicContact CE-CD2 4.14Å; M381-N762 PolarHBondContact O-OD1 3.34Å; M381-I765 HydrophobicContact CG-CG2 4.37Å
382Y93.8Very high91.4Very high1 Ų126.2 Ų26.20%0.00417%0.169CC..Hα-helixtrans-60-46.2174.8-82-86.9000112.6H339 T378 T379 V384 T385 F386 I410 Y759 N762 Y763 D766H339-Y382 HydrophobicContact CB-CE1 4.39Å; H339-Y382 HydrophobicContact CB-CE2 4.31Å; H339-Y382 AromaticContact ND1-CD2 3.77Å; H339-Y382 AromaticContact ND1-CE2 3.52Å; T378-Y382 WeakPolarHBondContact O-CD2 3.41Å; T378-Y382 PolarHBondContact O-N 3.23Å; T378-Y382 VanDerWaalsContact O-N 3.16Å; T379-Y382 WeakPolarHBondContact O-CB 3.26Å; T379-Y382 PolarHBondContact O-N 3.5Å; Y382-V384 VanDerWaalsContact C-N 3.26Å; Y382-V384 PolarHBondContact O-N 3.47Å; Y382-T385 WeakPolarHBondContact CA-OG1 3.01Å; Y382-T385 PolarHBondContact O-N 2.76Å; Y382-T385 PolarHBondContact O-OG1 3.45Å; Y382-F386 AromaticContact CD1-CD2 3.92Å; Y382-F386 HydrophobicContact CD1-CD2 3.92Å; Y382-F386 AromaticContact CD1-CE2 3.63Å; Y382-F386 HydrophobicContact CD1-CE2 3.63Å; Y382-F386 HydrophobicContact CE1-CE2 4.16Å; Y382-F386 WeakPolarHBondContact O-CB 3.15Å; Y382-F386 PolarHBondContact O-N 3.16Å; Y382-I410 HydrophobicContact CD1-CD1 3.38Å; Y382-I410 HydrophobicContact CE1-CD1 4.15Å; Y382-I410 HydrophobicContact CG-CD1 3.75Å; Y382-I410 HydrophobicContact CG-CG2 4.49Å; Y382-Y759 HydrophobicContact CE1-CD2 4.05Å; Y382-Y759 HydrophobicContact CE1-CE2 4.22Å; Y382-N762 HydrophobicContact CD1-CB 3.47Å; Y382-N762 VanDerWaalsContact CD1-CB 3.47Å; Y382-N762 HydrophobicContact CD2-CB 3.88Å; Y382-N762 HydrophobicContact CE1-CB 3.23Å; Y382-N762 HydrophobicContact CE2-CB 3.6Å; Y382-N762 HydrophobicContact CG-CB 3.83Å; Y382-N762 PolarHBondContact N-OD1 3.49Å; Y382-Y763 PolarHBondContact OH-N 3.48Å; Y382-D766 WeakPolarHBondContact CE2-OD2 3.43Å; Y382-D766 VanDerWaalsContact CZ-OD2 3.27Å; Y382-D766 PolarHBondContact OH-OD2 2.97Å
383L95.6Very high91Very high49 Ų4934.1 Ų34.126%0.25720%0.204SC..Hα-helixtrans-61.6-35.9-178.4-66.8177.9000112T379 A380 M381 G387 C407 I410 F411T379-L383 HydrophobicContact CG2-CD1 4.37Å; T379-L383 HydrophobicContact CG2-CG 4.45Å; T379-L383 WeakPolarHBondContact O-CG 3.25Å; T379-L383 PolarHBondContact O-N 3.49Å; A380-L383 PolarHBondContact O-N 3.06Å; M381-L383 PolarHBondContact O-N 3.27Å; L383-G387 WeakPolarHBondContact O-CA 3.42Å; L383-G387 PolarHBondContact O-N 3.35Å; L383-C407 WeakPolarHBondContact CD2-O 3.41Å; L383-I410 HydrophobicContact CD2-CB 4.42Å; L383-I410 HydrophobicContact CD2-CG2 4.13Å; L383-F411 HydrophobicContact CD1-CD2 4.43Å; L383-F411 HydrophobicContact CD2-CB 3.94Å
384V92.8Very high91.1Very high53 Ų5333 Ų3332%0.32120%0.198SC..Hα-helixtrans-79-45.9178.7171.20000112.1A380 M381 Y382 G387 I388 L710A380-V384 PolarHBondContact O-N 3.44Å; A380-V384 VanDerWaalsContact O-N 3.16Å; M381-V384 PolarHBondContact O-N 2.89Å; Y382-V384 VanDerWaalsContact C-N 3.26Å; Y382-V384 PolarHBondContact O-N 3.47Å; V384-G387 PolarHBondContact O-N 3.5Å; V384-I388 HydrophobicContact CG1-CD1 3.98Å; V384-I388 WeakPolarHBondContact O-CB 3.35Å; V384-I388 WeakPolarHBondContact O-CG1 3.48Å; V384-I388 PolarHBondContact O-N 3.29Å; V384-L710 HydrophobicContact CB-CD1 3.49Å; V384-L710 VanDerWaalsContact CB-CD1 3.49Å; V384-L710 HydrophobicContact CG1-CD1 3.54Å; V384-L710 HydrophobicContact CG1-CG 4.12Å; V384-L710 HydrophobicContact CG2-CD1 3.77Å
385T92.3Very high91.2Very high0 Ų033.2 Ų33.20%020%0.197CC..Hα-helixtrans-64.2-51.1-179.851.60000111.2M381 Y382 G387 I388 G389 A707 N762M381-T385 WeakPolarHBondContact O-CB 3.4Å; M381-T385 WeakPolarHBondContact O-CG2 3.45Å; M381-T385 PolarHBondContact O-N 3.46Å; M381-T385 PolarHBondContact O-OG1 3.01Å; Y382-T385 WeakPolarHBondContact CA-OG1 3.01Å; Y382-T385 PolarHBondContact O-N 2.76Å; Y382-T385 PolarHBondContact O-OG1 3.45Å; T385-G387 VanDerWaalsContact C-N 3.33Å; T385-G387 PolarHBondContact O-N 2.99Å; T385-I388 PolarHBondContact O-N 3.43Å; T385-G389 PolarHBondContact O-N 2.8Å; T385-A707 HydrophobicContact CG2-CB 4.1Å; T385-N762 VanDerWaalsContact OG1-CG 3.3Å; T385-N762 PolarHBondContact OG1-ND2 3.17Å; T385-N762 PolarHBondContact OG1-OD1 3.39Å
386F95.1Very high91.2Very high0 Ų033 Ų330%020%0.196CC..Hα-helixtrans-69-30.7173.1-76.4-56.3000112.5V335 Y382 I388 G389 A390 F402 C403 C407 I410 I758V335-F386 HydrophobicContact CG1-CE2 3.74Å; V335-F386 HydrophobicContact CG1-CZ 3.8Å; Y382-F386 AromaticContact CD1-CD2 3.92Å; Y382-F386 HydrophobicContact CD1-CD2 3.92Å; Y382-F386 AromaticContact CD1-CE2 3.63Å; Y382-F386 HydrophobicContact CD1-CE2 3.63Å; Y382-F386 HydrophobicContact CE1-CE2 4.16Å; Y382-F386 WeakPolarHBondContact O-CB 3.15Å; Y382-F386 PolarHBondContact O-N 3.16Å; F386-I388 VanDerWaalsContact C-N 3.32Å; F386-I388 PolarHBondContact O-N 2.93Å; F386-G389 CarbonylContact O-C 3.39Å; F386-G389 PolarHBondContact O-N 3.03Å; F386-A390 VanDerWaalsContact O-CB 3.3Å; F386-A390 WeakPolarHBondContact O-CB 3.37Å; F386-A390 PolarHBondContact O-N 2.91Å; F386-F402 HydrophobicContact CE1-CE1 4.15Å; F386-C403 HydrophobicContact CB-CB 4.4Å; F386-C403 HydrophobicContact CD1-CB 3.96Å; F386-C403 WeakPolarHBondContact O-CB 3.46Å; F386-C407 HydrophobicContact CB-CB 4.07Å; F386-I410 HydrophobicContact CD2-CD1 3.69Å; F386-I410 HydrophobicContact CE2-CD1 3.76Å; F386-I758 HydrophobicContact CD1-CG2 3.89Å; F386-I758 HydrophobicContact CE1-CG2 3.76Å
387G94Very high91.2Very high31 Ų3132.6 Ų32.632%0.3219%0.191SC..Hα-helixtrans-60.4-41.1173.200000112.6L383 V384 T385 A390 S391L383-G387 WeakPolarHBondContact O-CA 3.42Å; L383-G387 PolarHBondContact O-N 3.35Å; V384-G387 PolarHBondContact O-N 3.5Å; T385-G387 VanDerWaalsContact C-N 3.33Å; T385-G387 PolarHBondContact O-N 2.99Å; G387-A390 CarbonylContact O-C 3.29Å; G387-A390 PolarHBondContact O-N 3.39Å; G387-S391 PolarHBondContact O-N 3.42Å
388I92.1Very high91.4Very high56 Ų5629.3 Ų29.329%0.28717%0.174SC..Hα-helixtrans-73.2-38.1175-76164.9000111.3V384 T385 F386 A390 S391 N702V384-I388 HydrophobicContact CG1-CD1 3.98Å; V384-I388 WeakPolarHBondContact O-CB 3.35Å; V384-I388 WeakPolarHBondContact O-CG1 3.48Å; V384-I388 PolarHBondContact O-N 3.29Å; T385-I388 PolarHBondContact O-N 3.43Å; F386-I388 VanDerWaalsContact C-N 3.32Å; F386-I388 PolarHBondContact O-N 2.93Å; I388-A390 PolarHBondContact O-N 2.93Å; I388-S391 WeakPolarHBondContact O-CB 3.42Å; I388-S391 PolarHBondContact O-N 3.02Å; I388-S391 PolarHBondContact O-OG 3.33Å; I388-N702 HydrophobicContact CG2-CB 3.59Å
389G90.1Very high91.6Very high0 Ų029.2 Ų29.20%017%0.174CC..Hα-helixtrans-58.1-33.4169.400000113T385 F386 S391 T394T385-G389 PolarHBondContact O-N 2.8Å; F386-G389 CarbonylContact O-C 3.39Å; F386-G389 PolarHBondContact O-N 3.03Å; G389-S391 VanDerWaalsContact C-N 3.31Å; G389-T394 WeakPolarHBondContact O-CB 3.44Å; G389-T394 PolarHBondContact O-OG1 2.92Å
390A92.9Very high91.6Very high24 Ų2433 Ų3320%0.19819%0.187CC..THydrogen-bonded Turntrans-82.3-2.9175.600000114.2F386 G387 I388 R400 C403 C404F386-A390 VanDerWaalsContact O-CB 3.3Å; F386-A390 WeakPolarHBondContact O-CB 3.37Å; F386-A390 PolarHBondContact O-N 2.91Å; G387-A390 CarbonylContact O-C 3.29Å; G387-A390 PolarHBondContact O-N 3.39Å; I388-A390 PolarHBondContact O-N 2.93Å; A390-R400 VanDerWaalsContact O-CG 3.25Å; A390-R400 WeakPolarHBondContact O-CG 3.39Å; A390-C403 HydrophobicContact CB-CB 4.08Å; A390-C404 HydrophobicContact CB-CB 3.91Å
391S91.1Very high91.7Very high18 Ų1832.5 Ų32.513%0.12618%0.178CC..SBendtrans-70159-177.474.40000112.4G387 I388 G389 F393 T394G387-S391 PolarHBondContact O-N 3.42Å; I388-S391 WeakPolarHBondContact O-CB 3.42Å; I388-S391 PolarHBondContact O-N 3.02Å; I388-S391 PolarHBondContact O-OG 3.33Å; G389-S391 VanDerWaalsContact C-N 3.31Å; S391-F393 PolarHBondContact O-N 3.06Å; S391-F393 VanDerWaalsContact O-N 3.08Å; S391-F393 WeakPolarHBondContact OG-CD2 3.36Å; S391-F393 PolarHBondContact OG-N 3.44Å; S391-T394 PolarHBondContact O-N 3.28Å; S391-T394 VanDerWaalsContact O-N 3.09Å
392P87.8Confident91.9Very high111 Ų11132.4 Ų32.472%0.72118%0.178SC*.THydrogen-bonded Turntrans-61.7-12.2172.7-22.133.8000114.5T394P392-T394 PolarHBondContact O-N 3.32Å
393F84.6Confident92Very high166 Ų16632.4 Ų32.473%0.72818%0.178SC*.THydrogen-bonded Turntrans-73.2-18.3175.4-54.6-58.9000112.5S391 N395S391-F393 PolarHBondContact O-N 3.06Å; S391-F393 VanDerWaalsContact O-N 3.08Å; S391-F393 WeakPolarHBondContact OG-CD2 3.36Å; S391-F393 PolarHBondContact OG-N 3.44Å; F393-N395 PolarHBondContact O-N 3.38Å
394T89.1Confident92Very high0 Ų032.3 Ų32.30%018%0.181CC..  trans-78.9106.3173.2-59.20000109.6G389 S391 P392 I396 A399 R400 P699G389-T394 WeakPolarHBondContact O-CB 3.44Å; G389-T394 PolarHBondContact O-OG1 2.92Å; S391-T394 PolarHBondContact O-N 3.28Å; S391-T394 VanDerWaalsContact O-N 3.09Å; P392-T394 PolarHBondContact O-N 3.32Å; T394-I396 PolarHBondContact O-N 2.85Å; T394-A399 HydrophobicContact CG2-CB 3.85Å; T394-R400 HydrophobicContact CG2-CB 4.42Å; T394-P699 HydrophobicContact CG2-CB 3.88Å; T394-P699 HydrophobicContact CG2-CG 3.92Å
395N89.8Confident92.2Very high33 Ų3330.3 Ų30.318%0.17617%0.168CC..  trans-78.9-2.2-175.1-166.323.6000113.8P58 Q59 H60 F393 S695P58-N395 CarbonylContact C-O 3.59Å; P58-N395 WeakPolarHBondContact CA-O 3.5Å; P58-N395 WeakPolarHBondContact CB-ND2 3.17Å; Q59-N395 PolarHBondContact N-O 3.4Å; Q59-N395 PolarHBondContact N-OD1 2.93Å; H60-N395 PolarHBondContact N-OD1 2.91Å; H60-N395 PolarHBondContact O-ND2 3.43Å; F393-N395 PolarHBondContact O-N 3.38Å; N395-S695 WeakPolarHBondContact CB-OG 3.25Å
396I90.1Very high92.4Very high0 Ų030.3 Ų30.30%017%0.168CC..  trans-106117174.5-57.3-176.1000109.2L55 T394 A398 A399 R400 S695 L696L55-I396 WeakPolarHBondContact O-CG2 3.19Å; T394-I396 PolarHBondContact O-N 2.85Å; I396-A398 HydrophobicContact CG2-CB 4.33Å; I396-A398 PolarHBondContact O-N 3.32Å; I396-A399 HydrophobicContact CB-CB 4.26Å; I396-A399 HydrophobicContact CG2-CB 4.35Å; I396-A399 PolarHBondContact O-N 3.48Å; I396-R400 PolarHBondContact O-N 3.31Å; I396-R400 VanDerWaalsContact O-N 3.14Å; I396-S695 VanDerWaalsContact CG1-OG 3.23Å; I396-S695 WeakPolarHBondContact CG1-OG 3.3Å; I396-L696 HydrophobicContact CD1-CB 4.13Å; I396-L696 HydrophobicContact CD1-CD1 3.35Å; I396-L696 HydrophobicContact CD1-CG 4.35Å
397E92.2Very high92.5Very high14 Ų1431.7 Ų31.77%0.06518%0.177CC..Hα-helixtrans-64.3-42.5-174.6-175.360.8-166.600112.4H54 L55 Q59 A399 R400 I401H54-E397 VanDerWaalsContact O-CB 3.25Å; H54-E397 WeakPolarHBondContact O-CB 3.36Å; L55-E397 PolarHBondContact O-N 2.93Å; Q59-E397 PolarHBondContact NE2-OE2 2.79Å; E397-A399 VanDerWaalsContact C-N 3.26Å; E397-A399 PolarHBondContact O-N 3.45Å; E397-R400 WeakPolarHBondContact O-CB 3.41Å; E397-R400 PolarHBondContact O-N 2.9Å; E397-R400 IonicContact OE1-CZ 3.17Å; E397-R400 IonicContact OE1-NE 3.85Å; E397-R400 PolarHBondContact OE1-NE 2.87Å; E397-R400 IonicContact OE1-NH2 3.89Å; E397-R400 PolarHBondContact OE1-NH2 2.97Å; E397-R400 IonicContact OE2-CZ 3.82Å; E397-R400 IonicContact OE2-NE 2.86Å; E397-R400 PolarHBondContact OE2-NE 3.44Å; E397-R400 IonicContact OE2-NH2 3.99Å; E397-R400 PolarHBondContact OE2-NH2 3.27Å; E397-I401 HydrophobicContact CG-CG2 4.25Å; E397-I401 WeakPolarHBondContact O-CG1 3.4Å; E397-I401 PolarHBondContact O-N 3.29Å; E397-I401 WeakPolarHBondContact OE1-CG2 3.35Å
398A91.9Very high92.6Very high0 Ų032.1 Ų32.10%017%0.172CC..Hα-helixtrans-55.9-42.2178.900000112L55 L56 T328 I396 I401 F402L55-A398 HydrophobicContact CB-CB 4.23Å; L55-A398 HydrophobicContact CD2-CB 4.49Å; L55-A398 VanDerWaalsContact O-CB 3.25Å; L55-A398 WeakPolarHBondContact O-CB 3.28Å; L55-A398 PolarHBondContact O-N 3.49Å; L56-A398 HydrophobicContact CD2-CB 3.89Å; T328-A398 HydrophobicContact CG2-CB 4.08Å; I396-A398 HydrophobicContact CG2-CB 4.33Å; I396-A398 PolarHBondContact O-N 3.32Å; A398-I401 WeakPolarHBondContact O-CG1 3.3Å; A398-F402 WeakPolarHBondContact O-CB 3.34Å; A398-F402 PolarHBondContact O-N 3.06Å
399A91.9Very high92.9Very high1 Ų129.4 Ų29.41%0.00816%0.158CC..Hα-helixtrans-65.6-44.6175.800000111.6T394 I396 E397 I401 F402 C403 P699 L755T394-A399 HydrophobicContact CG2-CB 3.85Å; I396-A399 HydrophobicContact CB-CB 4.26Å; I396-A399 HydrophobicContact CG2-CB 4.35Å; I396-A399 PolarHBondContact O-N 3.48Å; E397-A399 VanDerWaalsContact C-N 3.26Å; E397-A399 PolarHBondContact O-N 3.45Å; A399-I401 PolarHBondContact O-N 3.18Å; A399-F402 PolarHBondContact O-N 2.9Å; A399-C403 WeakPolarHBondContact O-CB 3.41Å; A399-C403 PolarHBondContact O-N 2.94Å; A399-C403 PolarHBondContact O-SG 2.85Å; A399-P699 HydrophobicContact CB-CG 4.49Å; A399-L755 HydrophobicContact CB-CD2 3.88Å
400R94Very high93.3Very high82 Ų8229.4 Ų29.431%0.30916%0.158SC..Hα-helixtrans-58.7-49.9179.2-167.6178.466.9122.3-6.1112.2A390 T394 I396 E397 C403 C404A390-R400 VanDerWaalsContact O-CG 3.25Å; A390-R400 WeakPolarHBondContact O-CG 3.39Å; T394-R400 HydrophobicContact CG2-CB 4.42Å; I396-R400 PolarHBondContact O-N 3.31Å; I396-R400 VanDerWaalsContact O-N 3.14Å; E397-R400 WeakPolarHBondContact O-CB 3.41Å; E397-R400 PolarHBondContact O-N 2.9Å; E397-R400 IonicContact OE1-CZ 3.17Å; E397-R400 IonicContact OE1-NE 3.85Å; E397-R400 PolarHBondContact OE1-NE 2.87Å; E397-R400 IonicContact OE1-NH2 3.89Å; E397-R400 PolarHBondContact OE1-NH2 2.97Å; E397-R400 IonicContact OE2-CZ 3.82Å; E397-R400 IonicContact OE2-NE 2.86Å; E397-R400 PolarHBondContact OE2-NE 3.44Å; E397-R400 IonicContact OE2-NH2 3.99Å; E397-R400 PolarHBondContact OE2-NH2 3.27Å; R400-C403 PolarHBondContact O-N 2.79Å; R400-C404 VanDerWaalsContact O-CB 3.28Å; R400-C404 WeakPolarHBondContact O-CB 3.41Å; R400-C404 PolarHBondContact O-N 3.16Å
401I94.7Very high93.6Very high36 Ų3632.8 Ų32.819%0.18517%0.169CC..Hα-helixtrans-72.2-34.5-178.564-171.9000112.4L55 N326 F329 E397 A398 A399 C404 N405L55-I401 HydrophobicContact CD2-CD1 3.61Å; N326-I401 WeakPolarHBondContact ND2-CD1 3.35Å; F329-I401 HydrophobicContact CE1-CB 4.37Å; F329-I401 HydrophobicContact CE1-CD1 4.44Å; F329-I401 HydrophobicContact CE1-CG1 3.91Å; F329-I401 HydrophobicContact CZ-CB 4.31Å; F329-I401 HydrophobicContact CZ-CD1 4.47Å; F329-I401 HydrophobicContact CZ-CG1 4.17Å; E397-I401 HydrophobicContact CG-CG2 4.25Å; E397-I401 WeakPolarHBondContact O-CG1 3.4Å; E397-I401 PolarHBondContact O-N 3.29Å; E397-I401 WeakPolarHBondContact OE1-CG2 3.35Å; A398-I401 WeakPolarHBondContact O-CG1 3.3Å; A399-I401 PolarHBondContact O-N 3.18Å; I401-C404 PolarHBondContact O-N 3.35Å; I401-N405 WeakPolarHBondContact O-CB 3.4Å; I401-N405 PolarHBondContact O-N 3.3Å
402F94.9Very high93.9Very high6 Ų633.6 Ų33.63%0.02617%0.17CC..Hα-helixtrans-61.9-48.8172.6178.7-80.7000110.9T328 F329 V332 V335 F386 A398 A399 C404 N405 S406 L755T328-F402 WeakPolarHBondContact O-CD2 3.3Å; T328-F402 WeakPolarHBondContact O-CE2 2.95Å; F329-F402 HydrophobicContact CD1-CD2 4.44Å; F329-F402 HydrophobicContact CE1-CB 4.48Å; V332-F402 HydrophobicContact CG2-CD2 3.72Å; V332-F402 HydrophobicContact CG2-CE2 3.54Å; V332-F402 HydrophobicContact CG2-CG 4.41Å; V332-F402 HydrophobicContact CG2-CZ 4.09Å; V335-F402 HydrophobicContact CG2-CE1 4.31Å; V335-F402 HydrophobicContact CG2-CZ 3.91Å; F386-F402 HydrophobicContact CE1-CE1 4.15Å; A398-F402 WeakPolarHBondContact O-CB 3.34Å; A398-F402 PolarHBondContact O-N 3.06Å; A399-F402 PolarHBondContact O-N 2.9Å; F402-C404 VanDerWaalsContact C-N 3.35Å; F402-N405 PolarHBondContact O-N 3.23Å; F402-S406 WeakPolarHBondContact O-CB 3.47Å; F402-S406 PolarHBondContact O-N 3.35Å; F402-S406 PolarHBondContact O-OG 2.8Å; F402-L755 HydrophobicContact CB-CD1 3.9Å; F402-L755 HydrophobicContact CB-CD2 4.07Å; F402-L755 HydrophobicContact CD1-CB 4.17Å; F402-L755 HydrophobicContact CD1-CD1 4.07Å; F402-L755 HydrophobicContact CD1-CD2 3.57Å; F402-L755 HydrophobicContact CD1-CG 4.13Å; F402-L755 HydrophobicContact CD2-CD1 4.02Å; F402-L755 HydrophobicContact CE1-CB 4.09Å; F402-L755 HydrophobicContact CE1-CD2 4.27Å; F402-L755 HydrophobicContact CG-CD1 3.73Å; F402-L755 HydrophobicContact CG-CD2 3.97Å; F402-L755 HydrophobicContact CG-CG 4.3Å; F402-L755 HydrophobicContact CZ-CB 4.45Å
403C95.4Very high94.5Very high0 Ų028.3 Ų28.30%014%0.135CC..Hα-helixtrans-64.5-40.4178.7-66.20000111.4F386 A390 A399 R400 S406 C407F386-C403 HydrophobicContact CB-CB 4.4Å; F386-C403 HydrophobicContact CD1-CB 3.96Å; F386-C403 WeakPolarHBondContact O-CB 3.46Å; A390-C403 HydrophobicContact CB-CB 4.08Å; A399-C403 WeakPolarHBondContact O-CB 3.41Å; A399-C403 PolarHBondContact O-N 2.94Å; A399-C403 PolarHBondContact O-SG 2.85Å; R400-C403 PolarHBondContact O-N 2.79Å; C403-S406 PolarHBondContact O-N 3.09Å; C403-C407 VanDerWaalsContact O-CB 3.27Å; C403-C407 WeakPolarHBondContact O-CB 3.21Å; C403-C407 PolarHBondContact O-N 2.94Å
404C95.8Very high95.1Very high48 Ų4822.5 Ų22.532%0.32411%0.109SC..Hα-helixtrans-60.4-50.8175.7-177.60000111.6A390 R400 I401 F402 S406 C407 I408A390-C404 HydrophobicContact CB-CB 3.91Å; R400-C404 VanDerWaalsContact O-CB 3.28Å; R400-C404 WeakPolarHBondContact O-CB 3.41Å; R400-C404 PolarHBondContact O-N 3.16Å; I401-C404 PolarHBondContact O-N 3.35Å; F402-C404 VanDerWaalsContact C-N 3.35Å; C404-S406 VanDerWaalsContact C-N 3.33Å; C404-S406 PolarHBondContact O-N 2.88Å; C404-C407 PolarHBondContact O-N 2.94Å; C404-I408 WeakPolarHBondContact O-CG1 3.07Å; C404-I408 PolarHBondContact O-N 3.47Å
405N95.8Very high95.5Very high11 Ų1125.3 Ų25.36%0.05912%0.124CC..Hα-helixtrans-62.2-42.1178.7-171.534.2000111.5I318 F329 I401 F402 I408 A409I318-N405 HydrophobicContact CG1-CB 4.48Å; F329-N405 HydrophobicContact CE1-CB 4.41Å; F329-N405 HydrophobicContact CZ-CB 4.25Å; I401-N405 WeakPolarHBondContact O-CB 3.4Å; I401-N405 PolarHBondContact O-N 3.3Å; F402-N405 PolarHBondContact O-N 3.23Å; N405-I408 PolarHBondContact O-N 3Å; N405-A409 VanDerWaalsContact O-CB 3.31Å; N405-A409 WeakPolarHBondContact O-CB 3.44Å; N405-A409 PolarHBondContact O-N 3.02Å
406S96.7Very high96Very high0 Ų024 Ų240%012%0.116CC..Hα-helixtrans-63.8-41.6177-57.40000111.7F402 C403 C404 A409 I410F402-S406 WeakPolarHBondContact O-CB 3.47Å; F402-S406 PolarHBondContact O-N 3.35Å; F402-S406 PolarHBondContact O-OG 2.8Å; C403-S406 PolarHBondContact O-N 3.09Å; C404-S406 VanDerWaalsContact C-N 3.33Å; C404-S406 PolarHBondContact O-N 2.88Å; S406-A409 PolarHBondContact O-N 3.25Å; S406-I410 WeakPolarHBondContact O-CB 3.34Å; S406-I410 WeakPolarHBondContact O-CG1 3.34Å; S406-I410 PolarHBondContact O-N 3.43Å
407C96.8Very high96.3Very high28 Ų2824 Ų2419%0.18912%0.116CC..Hα-helixtrans-61.8-46.3176.9-173.30000111.9L383 F386 C403 C404 I410 F411L383-C407 WeakPolarHBondContact CD2-O 3.41Å; F386-C407 HydrophobicContact CB-CB 4.07Å; C403-C407 VanDerWaalsContact O-CB 3.27Å; C403-C407 WeakPolarHBondContact O-CB 3.21Å; C403-C407 PolarHBondContact O-N 2.94Å; C404-C407 PolarHBondContact O-N 2.94Å; C407-I410 PolarHBondContact O-N 3.2Å; C407-F411 WeakPolarHBondContact O-CB 3.2Å; C407-F411 PolarHBondContact O-N 3.22Å
408I97.8Very high96.5Very high40 Ų4024.5 Ų24.521%0.20512%0.119CC..Hα-helixtrans-62.7-45.5176-62.8168.4000110.4A314 I317 I318 C404 N405 I410 F411 F412A314-I408 HydrophobicContact CB-CB 4.21Å; A314-I408 HydrophobicContact CB-CG2 3.77Å; I317-I408 HydrophobicContact CD1-CG2 4Å; I317-I408 HydrophobicContact CG2-CD1 4.45Å; I318-I408 HydrophobicContact CD1-CD1 3.86Å; C404-I408 WeakPolarHBondContact O-CG1 3.07Å; C404-I408 PolarHBondContact O-N 3.47Å; N405-I408 PolarHBondContact O-N 3Å; I408-I410 PolarHBondContact O-N 2.96Å; I408-F411 WeakPolarHBondContact O-CB 3.45Å; I408-F411 PolarHBondContact O-N 3.39Å; I408-F412 HydrophobicContact CG2-CD2 3.92Å; I408-F412 HydrophobicContact CG2-CE2 4.01Å; I408-F412 WeakPolarHBondContact O-CD2 3.45Å; I408-F412 PolarHBondContact O-N 3.42Å; I408-F412 VanDerWaalsContact O-N 3.08Å
409A98.5Very high96.8Very high0 Ų025.1 Ų25.10%012%0.124CC..Hα-helixtrans-62.9-40.218000000112.3A314 M336 N405 S406 F412 N413A314-A409 HydrophobicContact CB-CB 3.64Å; M336-A409 HydrophobicContact CE-CB 4.09Å; M336-A409 HydrophobicContact CG-CB 4Å; M336-A409 HydrophobicContact SD-CB 3.32Å; M336-A409 WeakPolarHBondContact SD-CB 3.28Å; N405-A409 VanDerWaalsContact O-CB 3.31Å; N405-A409 WeakPolarHBondContact O-CB 3.44Å; N405-A409 PolarHBondContact O-N 3.02Å; S406-A409 PolarHBondContact O-N 3.25Å; A409-F412 PolarHBondContact O-N 2.92Å; A409-N413 VanDerWaalsContact O-CB 3.23Å; A409-N413 WeakPolarHBondContact O-CB 3.32Å; A409-N413 PolarHBondContact O-N 3.1Å
410I98.4Very high97.1Very high0 Ų026 Ų260%013%0.127CC..Hα-helixtrans-66.4-42.1176.4-71170000111.3V335 M336 T379 Y382 L383 F386 S406 C407 I408 F412 N413 Y414V335-I410 HydrophobicContact CG1-CD1 4.41Å; M336-I410 HydrophobicContact CE-CD1 3.79Å; M336-I410 HydrophobicContact CE-CG1 3.3Å; M336-I410 HydrophobicContact SD-CG1 3.88Å; T379-I410 HydrophobicContact CG2-CG2 3.83Å; Y382-I410 HydrophobicContact CD1-CD1 3.38Å; Y382-I410 HydrophobicContact CE1-CD1 4.15Å; Y382-I410 HydrophobicContact CG-CD1 3.75Å; Y382-I410 HydrophobicContact CG-CG2 4.49Å; L383-I410 HydrophobicContact CD2-CB 4.42Å; L383-I410 HydrophobicContact CD2-CG2 4.13Å; F386-I410 HydrophobicContact CD2-CD1 3.69Å; F386-I410 HydrophobicContact CE2-CD1 3.76Å; S406-I410 WeakPolarHBondContact O-CB 3.34Å; S406-I410 WeakPolarHBondContact O-CG1 3.34Å; S406-I410 PolarHBondContact O-N 3.43Å; C407-I410 PolarHBondContact O-N 3.2Å; I408-I410 PolarHBondContact O-N 2.96Å; I410-F412 PolarHBondContact O-N 3.34Å; I410-N413 PolarHBondContact O-N 3.06Å; I410-Y414 PolarHBondContact O-N 3.23Å
411F98.3Very high97.3Very high95 Ų9522.1 Ų22.142%0.41711%0.113SC..Hα-helixtrans-57.6-48.9176.1176.3-102.9000111.6L383 C407 I408 Y414 L415L383-F411 HydrophobicContact CD1-CD2 4.43Å; L383-F411 HydrophobicContact CD2-CB 3.94Å; C407-F411 WeakPolarHBondContact O-CB 3.2Å; C407-F411 PolarHBondContact O-N 3.22Å; I408-F411 WeakPolarHBondContact O-CB 3.45Å; I408-F411 PolarHBondContact O-N 3.39Å; F411-Y414 PolarHBondContact O-N 3.18Å; F411-L415 HydrophobicContact CD1-CD1 4.21Å; F411-L415 HydrophobicContact CE1-CD1 3.6Å; F411-L415 HydrophobicContact CZ-CD1 3.82Å; F411-L415 HydrophobicContact CZ-CG 4.47Å; F411-L415 WeakPolarHBondContact O-CG 3.44Å; F411-L415 PolarHBondContact O-N 3.46Å
412F98.4Very high97.5Very high34 Ų3420.4 Ų20.415%0.14910%0.104CC..Hα-helixtrans-70.7-33.8176.8-80-78.2000112.9A310 T313 I317 I408 A409 I410 Y414 L415 Y416A310-F412 HydrophobicContact CB-CB 4.2Å; T313-F412 HydrophobicContact CG2-CB 4.3Å; T313-F412 HydrophobicContact CG2-CD1 3.54Å; T313-F412 HydrophobicContact CG2-CD2 3.8Å; T313-F412 HydrophobicContact CG2-CE1 3.69Å; T313-F412 HydrophobicContact CG2-CE2 3.97Å; T313-F412 HydrophobicContact CG2-CG 3.59Å; T313-F412 HydrophobicContact CG2-CZ 3.9Å; I317-F412 HydrophobicContact CD1-CD2 4.17Å; I317-F412 HydrophobicContact CD1-CE2 3.28Å; I317-F412 HydrophobicContact CD1-CZ 3.7Å; I408-F412 HydrophobicContact CG2-CD2 3.92Å; I408-F412 HydrophobicContact CG2-CE2 4.01Å; I408-F412 WeakPolarHBondContact O-CD2 3.45Å; I408-F412 PolarHBondContact O-N 3.42Å; I408-F412 VanDerWaalsContact O-N 3.08Å; A409-F412 PolarHBondContact O-N 2.92Å; I410-F412 PolarHBondContact O-N 3.34Å; F412-Y414 VanDerWaalsContact C-N 3.31Å; F412-Y414 PolarHBondContact O-N 3Å; F412-L415 HydrophobicContact CD1-CD1 4.3Å; F412-L415 HydrophobicContact CE1-CD1 4.48Å; F412-L415 PolarHBondContact O-N 3.34Å; F412-Y416 HydrophobicContact CD1-CE1 4.09Å; F412-Y416 WeakPolarHBondContact O-CB 3.45Å; F412-Y416 WeakPolarHBondContact O-CD1 3.11Å; F412-Y416 VanDerWaalsContact O-CG 3.25Å; F412-Y416 PolarHBondContact O-N 3.3Å
413N98.5Very high97.6Very high0 Ų020.1 Ų20.10%010%0.103CC..Hα-helixtrans-59.4-44.7174.3-178.871000110.8A310 H339 A409 I410 L415 Y416 V417A310-N413 VanDerWaalsContact CB-CA 3.47Å; A310-N413 HydrophobicContact CB-CB 3.79Å; H339-N413 PolarHBondContact CD2-ND2 2.67Å; H339-N413 PolarHBondContact NE2-ND2 3.45Å; A409-N413 VanDerWaalsContact O-CB 3.23Å; A409-N413 WeakPolarHBondContact O-CB 3.32Å; A409-N413 PolarHBondContact O-N 3.1Å; I410-N413 PolarHBondContact O-N 3.06Å; N413-L415 PolarHBondContact O-N 3.32Å; N413-Y416 PolarHBondContact O-N 3.33Å; N413-V417 WeakPolarHBondContact O-CB 3.4Å; N413-V417 VanDerWaalsContact O-CG2 3.28Å; N413-V417 WeakPolarHBondContact O-CG2 3.28Å; N413-V417 PolarHBondContact O-N 3.37Å
414Y98.3Very high97.7Very high44 Ų4420.5 Ų20.517%0.17311%0.106CC..Hα-helixtrans-58-48.6174.1173.8-98.4000112.5M372 F375 S376 T379 I410 F411 F412 Y416 V417 L418M372-Y414 HydrophobicContact CE-CD2 4.39Å; M372-Y414 HydrophobicContact CE-CE2 3.74Å; F375-Y414 AromaticContact CD1-CD2 3.89Å; F375-Y414 HydrophobicContact CD1-CD2 3.89Å; F375-Y414 HydrophobicContact CD1-CE2 4.21Å; F375-Y414 AromaticContact CE1-CD2 3.79Å; F375-Y414 HydrophobicContact CE1-CD2 3.79Å; S376-Y414 VanDerWaalsContact OG-CE2 3.24Å; S376-Y414 WeakPolarHBondContact OG-CE2 3.41Å; S376-Y414 PolarHBondContact OG-OH 2.87Å; T379-Y414 HydrophobicContact CG2-CD2 3.96Å; T379-Y414 HydrophobicContact CG2-CG 3.94Å; I410-Y414 PolarHBondContact O-N 3.23Å; F411-Y414 PolarHBondContact O-N 3.18Å; F412-Y414 VanDerWaalsContact C-N 3.31Å; F412-Y414 PolarHBondContact O-N 3Å; Y414-Y416 VanDerWaalsContact C-N 3.28Å; Y414-Y416 PolarHBondContact O-N 2.86Å; Y414-V417 PolarHBondContact O-N 3.21Å; Y414-L418 HydrophobicContact CE1-CD1 4.21Å; Y414-L418 WeakPolarHBondContact O-CB 3.47Å; Y414-L418 PolarHBondContact O-N 3Å
415L98.2Very high97.7Very high60 Ų6018.2 Ų18.231%0.3149%0.09SC..Hα-helixtrans-61.4-37.5177.6-66.3179.9000112.1F411 F412 N413 L418 S419F411-L415 HydrophobicContact CD1-CD1 4.21Å; F411-L415 HydrophobicContact CE1-CD1 3.6Å; F411-L415 HydrophobicContact CZ-CD1 3.82Å; F411-L415 HydrophobicContact CZ-CG 4.47Å; F411-L415 WeakPolarHBondContact O-CG 3.44Å; F411-L415 PolarHBondContact O-N 3.46Å; F412-L415 HydrophobicContact CD1-CD1 4.3Å; F412-L415 HydrophobicContact CE1-CD1 4.48Å; F412-L415 PolarHBondContact O-N 3.34Å; N413-L415 PolarHBondContact O-N 3.32Å; L415-L418 PolarHBondContact O-N 2.86Å; L415-S419 WeakPolarHBondContact O-CB 3.45Å; L415-S419 PolarHBondContact O-N 2.83Å; L415-S419 PolarHBondContact O-OG 3.11Å
416Y98.6Very high97.8Very high5 Ų517.7 Ų17.72%0.029%0.087CC..Hα-helixtrans-81.2-30.7-176.9-68.40.5000112.7P32 I35 S36 T306 L309 A310 T313 F412 N413 Y414 L418 S419 F420 Y421P32-Y416 HydrophobicContact CB-CD1 3.58Å; P32-Y416 HydrophobicContact CB-CD2 4.21Å; P32-Y416 HydrophobicContact CB-CE1 3.57Å; P32-Y416 HydrophobicContact CB-CE2 4.21Å; P32-Y416 HydrophobicContact CB-CG 3.91Å; P32-Y416 HydrophobicContact CG-CD1 3.85Å; P32-Y416 HydrophobicContact CG-CE1 4.06Å; P32-Y416 HydrophobicContact CG-CG 4.46Å; P32-Y416 PolarHBondContact O-OH 3.35Å; I35-Y416 WeakPolarHBondContact CG2-OH 3.29Å; S36-Y416 VanDerWaalsContact OG-CE2 3.32Å; S36-Y416 WeakPolarHBondContact OG-CE2 3.32Å; S36-Y416 PolarHBondContact OG-OH 3.39Å; T306-Y416 VanDerWaalsContact CG2-C 3.43Å; T306-Y416 WeakPolarHBondContact CG2-O 3.39Å; L309-Y416 HydrophobicContact CB-CD2 3.84Å; L309-Y416 HydrophobicContact CB-CE2 3.85Å; A310-Y416 HydrophobicContact CB-CD2 3.9Å; A310-Y416 HydrophobicContact CB-CE2 4.4Å; T313-Y416 WeakPolarHBondContact OG1-CE2 3.35Å; T313-Y416 PolarHBondContact OG1-OH 3.25Å; F412-Y416 HydrophobicContact CD1-CE1 4.09Å; F412-Y416 WeakPolarHBondContact O-CB 3.45Å; F412-Y416 WeakPolarHBondContact O-CD1 3.11Å; F412-Y416 VanDerWaalsContact O-CG 3.25Å; F412-Y416 PolarHBondContact O-N 3.3Å; N413-Y416 PolarHBondContact O-N 3.33Å; Y414-Y416 VanDerWaalsContact C-N 3.28Å; Y414-Y416 PolarHBondContact O-N 2.86Å; Y416-L418 VanDerWaalsContact C-N 3.32Å; Y416-S419 WeakPolarHBondContact CA-OG 3.29Å; Y416-S419 PolarHBondContact O-N 2.89Å; Y416-F420 WeakPolarHBondContact O-CA 3.42Å; Y416-F420 WeakPolarHBondContact O-CB 3.49Å; Y416-F420 PolarHBondContact O-N 2.92Å; Y416-Y421 PolarHBondContact O-N 2.7Å
417V98.2Very high97.7Very high0 Ų022 Ų220%011%0.106CC..Iπ-helixtrans-62.1-45.4166.9169.80000109.6T306 T344 M347 M372 F375 N413 Y414 S419 G422T306-V417 HydrophobicContact CG2-CG2 4.16Å; T344-V417 HydrophobicContact CG2-CG2 4.13Å; M347-V417 HydrophobicContact SD-CG1 3.63Å; M372-V417 HydrophobicContact SD-CG1 4.46Å; F375-V417 HydrophobicContact CD1-CG1 4.29Å; F375-V417 HydrophobicContact CE1-CB 3.95Å; F375-V417 HydrophobicContact CE1-CG1 3.8Å; F375-V417 HydrophobicContact CE1-CG2 4.2Å; F375-V417 HydrophobicContact CZ-CB 4.5Å; F375-V417 HydrophobicContact CZ-CG1 4.46Å; F375-V417 HydrophobicContact CZ-CG2 4.25Å; N413-V417 WeakPolarHBondContact O-CB 3.4Å; N413-V417 VanDerWaalsContact O-CG2 3.28Å; N413-V417 WeakPolarHBondContact O-CG2 3.28Å; N413-V417 PolarHBondContact O-N 3.37Å; Y414-V417 PolarHBondContact O-N 3.21Å; V417-S419 VanDerWaalsContact C-N 3.33Å; V417-S419 PolarHBondContact O-N 3.48Å; V417-G422 PolarHBondContact O-N 3.42Å
418L96.3Very high97.5Very high24 Ų2421.4 Ų21.413%0.12610%0.102CC..Iπ-helixtrans-63.1-35.9177.7-175.3151.9000112.6L17 I21 Y368 M372 Y414 L415 Y416L17-L418 HydrophobicContact CD2-CD1 3.79Å; L17-L418 HydrophobicContact CD2-CD2 4.19Å; L17-L418 HydrophobicContact CD2-CG 4.12Å; I21-L418 HydrophobicContact CD1-CD2 3.85Å; I21-L418 HydrophobicContact CD1-CG 4.4Å; I21-L418 WeakPolarHBondContact CD1-O 3.41Å; Y368-L418 HydrophobicContact CE1-CG 4.33Å; Y368-L418 PolarHBondContact OH-O 3.4Å; M372-L418 HydrophobicContact CE-CB 4.12Å; M372-L418 HydrophobicContact CE-CD1 4.2Å; M372-L418 HydrophobicContact CE-CG 4.45Å; Y414-L418 HydrophobicContact CE1-CD1 4.21Å; Y414-L418 WeakPolarHBondContact O-CB 3.47Å; Y414-L418 PolarHBondContact O-N 3Å; L415-L418 PolarHBondContact O-N 2.86Å; Y416-L418 VanDerWaalsContact C-N 3.32Å
419S97.3Very high97.3Very high14 Ų1419.5 Ų19.510%0.0989%0.092CC..Iπ-helixtrans-103-69.3-174.354.10000113.4F28 P32 L415 Y416 V417 S423F28-S419 CarbonylContact O-C 3.36Å; F28-S419 WeakPolarHBondContact O-CB 3.5Å; P32-S419 WeakPolarHBondContact CG-OG 3.27Å; L415-S419 WeakPolarHBondContact O-CB 3.45Å; L415-S419 PolarHBondContact O-N 2.83Å; L415-S419 PolarHBondContact O-OG 3.11Å; Y416-S419 WeakPolarHBondContact CA-OG 3.29Å; Y416-S419 PolarHBondContact O-N 2.89Å; V417-S419 VanDerWaalsContact C-N 3.33Å; V417-S419 PolarHBondContact O-N 3.48Å; S419-S423 WeakPolarHBondContact O-CB 3.48Å; S419-S423 PolarHBondContact O-N 3.3Å; S419-S423 PolarHBondContact O-OG 3.42Å
420F98.4Very high97Very high19 Ų1922.7 Ų22.78%0.08310%0.104CC..Iπ-helixtrans-65.8-51.5-175.4-177.4-91.6000112.8F28 A29 P32 V33 L302 V305 T306 L309 Y416 S423 S424F28-F420 PolarHBondContact O-N 2.96Å; A29-F420 HydrophobicContact CB-CD2 4.48Å; A29-F420 VanDerWaalsContact O-CD2 3.32Å; A29-F420 WeakPolarHBondContact O-CD2 3.28Å; P32-F420 HydrophobicContact CB-CB 4.1Å; P32-F420 HydrophobicContact CG-CB 4.01Å; V33-F420 HydrophobicContact CG2-CD2 3.89Å; V33-F420 HydrophobicContact CG2-CE2 3.56Å; L302-F420 HydrophobicContact CB-CE1 4.49Å; L302-F420 HydrophobicContact CD2-CE1 4.12Å; L302-F420 HydrophobicContact CD2-CZ 4.06Å; V305-F420 HydrophobicContact CB-CE1 4.39Å; V305-F420 HydrophobicContact CG1-CE1 3.98Å; V305-F420 HydrophobicContact CG1-CZ 3.93Å; T306-F420 HydrophobicContact CG2-CD1 4.44Å; T306-F420 VanDerWaalsContact OG1-CD1 3.26Å; T306-F420 WeakPolarHBondContact OG1-CD1 3.34Å; L309-F420 HydrophobicContact CD1-CD2 4.31Å; L309-F420 HydrophobicContact CD1-CE2 4.26Å; L309-F420 HydrophobicContact CD1-CG 4.49Å; L309-F420 HydrophobicContact CD1-CZ 4.36Å; Y416-F420 WeakPolarHBondContact O-CA 3.42Å; Y416-F420 WeakPolarHBondContact O-CB 3.49Å; Y416-F420 PolarHBondContact O-N 2.92Å; F420-S423 PolarHBondContact O-N 3.34Å; F420-S424 PolarHBondContact O-N 3.32Å; F420-S424 PolarHBondContact O-OG 3.18Å
421Y98.4Very high96.7Very high1 Ų124.3 Ų24.30%0.00411%0.113CC..Iπ-helixtrans-69.2-41.2179.8-172.6-104.3000111.4L299 T344 M347 Y416 S423 S424 L425L299-Y421 HydrophobicContact CB-CE2 4.36Å; L299-Y421 HydrophobicContact CD2-CE2 4.34Å; T344-Y421 HydrophobicContact CG2-CD1 3.95Å; T344-Y421 HydrophobicContact CG2-CD2 3.82Å; T344-Y421 HydrophobicContact CG2-CE1 4.07Å; T344-Y421 HydrophobicContact CG2-CE2 3.95Å; T344-Y421 HydrophobicContact CG2-CG 3.81Å; T344-Y421 VanDerWaalsContact O-CE1 3.26Å; T344-Y421 WeakPolarHBondContact O-CE1 3.41Å; T344-Y421 PolarHBondContact O-OH 3.08Å; M347-Y421 HydrophobicContact CB-CE1 4.01Å; M347-Y421 HydrophobicContact SD-CD1 3.95Å; M347-Y421 HydrophobicContact SD-CE1 4.36Å; Y416-Y421 PolarHBondContact O-N 2.7Å; Y421-S423 VanDerWaalsContact C-N 3.31Å; Y421-S423 PolarHBondContact O-N 2.92Å; Y421-S424 WeakPolarHBondContact O-CA 3.35Å; Y421-S424 VanDerWaalsContact O-CB 3.31Å; Y421-S424 WeakPolarHBondContact O-CB 3.38Å; Y421-S424 PolarHBondContact O-N 2.88Å; Y421-S424 VanDerWaalsContact O-N 3.09Å; Y421-L425 PolarHBondContact O-N 3Å
422G97.9Very high96.2Very high0 Ų020.6 Ų20.60%010%0.096CC..Hα-helixtrans-49.5-48.3168.800000114.1Y368 V417 L425 V426Y368-G422 WeakPolarHBondContact OH-CA 3.2Å; V417-G422 PolarHBondContact O-N 3.42Å; G422-L425 WeakPolarHBondContact O-CB 3.5Å; G422-L425 PolarHBondContact O-N 3.3Å; G422-V426 WeakPolarHBondContact O-CG2 3.36Å; G422-V426 PolarHBondContact O-N 3.45Å; G422-V426 VanDerWaalsContact O-N 3.13Å
423S98.3Very high95.7Very high0 Ų022.5 Ų22.50%011%0.108CC..Hα-helixtrans-67.2-38176.8-57.60000112.2P25 F28 A29 S419 F420 Y421 L425 V426 F427P25-S423 VanDerWaalsContact O-CB 3.3Å; P25-S423 WeakPolarHBondContact O-CB 3.21Å; P25-S423 PolarHBondContact O-OG 2.96Å; F28-S423 WeakPolarHBondContact CB-OG 3.36Å; A29-S423 PolarHBondContact N-OG 3.38Å; S419-S423 WeakPolarHBondContact O-CB 3.48Å; S419-S423 PolarHBondContact O-N 3.3Å; S419-S423 PolarHBondContact O-OG 3.42Å; F420-S423 PolarHBondContact O-N 3.34Å; Y421-S423 VanDerWaalsContact C-N 3.31Å; Y421-S423 PolarHBondContact O-N 2.92Å; S423-L425 VanDerWaalsContact C-N 3.31Å; S423-L425 PolarHBondContact O-N 3.18Å; S423-V426 WeakPolarHBondContact O-CB 3.47Å; S423-V426 PolarHBondContact O-N 3.25Å; S423-F427 WeakPolarHBondContact O-CD2 3.34Å; S423-F427 PolarHBondContact O-N 3.34Å
424S97.2Very high95.2Very high8 Ų826.3 Ų26.36%0.05613%0.129CC..Hα-helixtrans-60.7-41.2174.3-59.30000111.6F420 Y421 V426 F427 T428F420-S424 PolarHBondContact O-N 3.32Å; F420-S424 PolarHBondContact O-OG 3.18Å; Y421-S424 WeakPolarHBondContact O-CA 3.35Å; Y421-S424 VanDerWaalsContact O-CB 3.31Å; Y421-S424 WeakPolarHBondContact O-CB 3.38Å; Y421-S424 PolarHBondContact O-N 2.88Å; Y421-S424 VanDerWaalsContact O-N 3.09Å; S424-V426 VanDerWaalsContact C-N 3.34Å; S424-V426 PolarHBondContact O-N 3.32Å; S424-F427 PolarHBondContact O-N 3.47Å; S424-T428 WeakPolarHBondContact O-CG2 3.39Å; S424-T428 PolarHBondContact O-N 3.21Å; S424-T428 PolarHBondContact O-OG1 3.46Å
425L96.3Very high94.6Very high0 Ų027.1 Ų27.10%013%0.132CC..Hα-helixtrans-60.7-43.9174.1-17066.2000111.1L299 M347 W351 V367 Y421 G422 S423 F427 T428 G429L299-L425 HydrophobicContact CD1-CD1 3.67Å; M347-L425 HydrophobicContact CE-CD2 4.27Å; W351-L425 HydrophobicContact CB-CD1 3.95Å; W351-L425 HydrophobicContact CB-CD2 4.33Å; W351-L425 HydrophobicContact CD2-CD1 3.9Å; W351-L425 HydrophobicContact CD2-CD2 4.36Å; W351-L425 HydrophobicContact CD2-CG 4.04Å; W351-L425 HydrophobicContact CE3-CD1 4.06Å; W351-L425 HydrophobicContact CE3-CD2 3.75Å; W351-L425 HydrophobicContact CE3-CG 3.66Å; W351-L425 HydrophobicContact CG-CD1 3.84Å; W351-L425 HydrophobicContact CG-CG 4.42Å; W351-L425 HydrophobicContact CZ3-CG 4.25Å; V367-L425 HydrophobicContact CB-CD2 4.47Å; V367-L425 HydrophobicContact CG1-CD2 3.93Å; V367-L425 HydrophobicContact CG2-CD2 4.49Å; Y421-L425 PolarHBondContact O-N 3Å; G422-L425 WeakPolarHBondContact O-CB 3.5Å; G422-L425 PolarHBondContact O-N 3.3Å; S423-L425 VanDerWaalsContact C-N 3.31Å; S423-L425 PolarHBondContact O-N 3.18Å; L425-F427 PolarHBondContact O-N 2.67Å; L425-T428 PolarHBondContact O-N 3.45Å; L425-T428 PolarHBondContact O-OG1 3.49Å; L425-G429 PolarHBondContact O-N 2.97Å
426V96.9Very high94.2Very high0 Ų026.2 Ų26.20%013%0.126CC..Hα-helixtrans-59.9-47.4176173.90000111.6A22 P25 V360 T364 G422 S423 S424 T428 G429 Y430A22-V426 HydrophobicContact CB-CG1 4.36Å; A22-V426 HydrophobicContact CB-CG2 3.76Å; P25-V426 HydrophobicContact CB-CB 4.32Å; P25-V426 HydrophobicContact CB-CG1 4.05Å; P25-V426 HydrophobicContact CG-CG1 4.13Å; V360-V426 HydrophobicContact CG1-CG1 4.07Å; T364-V426 HydrophobicContact CG2-CG2 3.78Å; G422-V426 WeakPolarHBondContact O-CG2 3.36Å; G422-V426 PolarHBondContact O-N 3.45Å; G422-V426 VanDerWaalsContact O-N 3.13Å; S423-V426 WeakPolarHBondContact O-CB 3.47Å; S423-V426 PolarHBondContact O-N 3.25Å; S424-V426 VanDerWaalsContact C-N 3.34Å; S424-V426 PolarHBondContact O-N 3.32Å; V426-T428 PolarHBondContact O-N 2.95Å; V426-G429 WeakPolarHBondContact O-CA 3.27Å; V426-G429 PolarHBondContact O-N 2.94Å; V426-G429 VanDerWaalsContact O-N 3.15Å; V426-Y430 HydrophobicContact CG1-CD2 3.86Å; V426-Y430 HydrophobicContact CG1-CE2 3.62Å; V426-Y430 VanDerWaalsContact O-CD2 3.31Å; V426-Y430 WeakPolarHBondContact O-CD2 3.28Å; V426-Y430 PolarHBondContact O-N 3.27Å
427F94.9Very high93.6Very high89 Ų8926.4 Ų26.439%0.3913%0.127SC..Hα-helixtrans-61.3-46.2178.2-74.1-62.3000112.1P25 V26 A29 S423 S424 L425 G429 Y430 I431P25-F427 HydrophobicContact CB-CE2 4.06Å; P25-F427 HydrophobicContact CB-CZ 4.02Å; P25-F427 HydrophobicContact CG-CE1 4.44Å; P25-F427 HydrophobicContact CG-CZ 4.2Å; V26-F427 HydrophobicContact CG2-CZ 3.96Å; A29-F427 HydrophobicContact CB-CE2 4.44Å; S423-F427 WeakPolarHBondContact O-CD2 3.34Å; S423-F427 PolarHBondContact O-N 3.34Å; S424-F427 PolarHBondContact O-N 3.47Å; L425-F427 PolarHBondContact O-N 2.67Å; F427-G429 PolarHBondContact O-N 2.88Å; F427-Y430 PolarHBondContact O-N 3.3Å; F427-I431 WeakPolarHBondContact O-CG1 3.34Å; F427-I431 PolarHBondContact O-N 2.76Å; F427-I431 VanDerWaalsContact O-N 3.14Å
428T92.8Very high93Very high16 Ų1626.8 Ų26.810%0.09813%0.13CC..Hα-helixtrans-69.2-22.6176.462.60000113.2K296 L299 S424 L425 V426 E432K296-T428 PolarHBondContact NZ-O 2.99Å; L299-T428 HydrophobicContact CD2-CG2 3.71Å; L299-T428 HydrophobicContact CG-CG2 3.89Å; S424-T428 WeakPolarHBondContact O-CG2 3.39Å; S424-T428 PolarHBondContact O-N 3.21Å; S424-T428 PolarHBondContact O-OG1 3.46Å; L425-T428 PolarHBondContact O-N 3.45Å; L425-T428 PolarHBondContact O-OG1 3.49Å; V426-T428 PolarHBondContact O-N 2.95Å; T428-E432 PolarHBondContact O-N 3.38Å
429G92.6Very high92.5Very high0 Ų029.4 Ų29.40%014%0.143CC..Hα-helixtrans-70.7-39.1170.300000112.6L425 V426 F427 E432 N433L425-G429 PolarHBondContact O-N 2.97Å; V426-G429 WeakPolarHBondContact O-CA 3.27Å; V426-G429 PolarHBondContact O-N 2.94Å; V426-G429 VanDerWaalsContact O-N 3.15Å; F427-G429 PolarHBondContact O-N 2.88Å; G429-E432 PolarHBondContact O-N 3.27Å; G429-N433 WeakPolarHBondContact O-CB 3.34Å; G429-N433 PolarHBondContact O-N 3.4Å
430Y93Very high91.9Very high68 Ų6834.8 Ų34.827%0.26717%0.165SC..Hα-helixtrans-67.5-36.2173.5-81.5-66000113V360 V426 F427 N433 N434V360-Y430 HydrophobicContact CB-CD1 4.32Å; V360-Y430 HydrophobicContact CB-CE1 4.04Å; V360-Y430 HydrophobicContact CB-CE2 4.25Å; V360-Y430 HydrophobicContact CG1-CD2 3.94Å; V360-Y430 HydrophobicContact CG1-CE1 4.48Å; V360-Y430 HydrophobicContact CG1-CE2 3.84Å; V360-Y430 HydrophobicContact CG1-CG 4.31Å; V360-Y430 HydrophobicContact CG2-CD1 3.81Å; V360-Y430 HydrophobicContact CG2-CE1 3.96Å; V360-Y430 HydrophobicContact CG2-CG 4.12Å; V426-Y430 HydrophobicContact CG1-CD2 3.86Å; V426-Y430 HydrophobicContact CG1-CE2 3.62Å; V426-Y430 VanDerWaalsContact O-CD2 3.31Å; V426-Y430 WeakPolarHBondContact O-CD2 3.28Å; V426-Y430 PolarHBondContact O-N 3.27Å; F427-Y430 PolarHBondContact O-N 3.3Å; Y430-N433 PolarHBondContact O-N 2.88Å; Y430-N434 VanDerWaalsContact O-CB 3.28Å; Y430-N434 WeakPolarHBondContact O-CB 3.27Å; Y430-N434 PolarHBondContact O-N 3.37Å; Y430-N434 PolarHBondContact O-ND2 3.05Å; Y430-N434 VanDerWaalsContact O-ND2 3.1Å
431I91.7Very high91.3Very high34 Ų3436.6 Ų36.617%0.17418%0.18CC..Hα-helixtrans-61.1-46.4173.3-66.5170.1000110.2F427 N434 Y435 Q436F427-I431 WeakPolarHBondContact O-CG1 3.34Å; F427-I431 PolarHBondContact O-N 2.76Å; F427-I431 VanDerWaalsContact O-N 3.14Å; I431-N434 PolarHBondContact O-N 3.19Å; I431-Y435 PolarHBondContact O-N 2.97Å; I431-Q436 HydrophobicContact CG2-CB 3.74Å; I431-Q436 WeakPolarHBondContact O-CB 3.31Å; I431-Q436 PolarHBondContact O-N 3.09Å
432E88.9Confident90.7Very high16 Ų1645.8 Ų45.88%0.07521%0.214CC..Hα-helixtrans-62.2-49.2176.7-174.9-172.1141.600111.7V293 K296 W351 R363 T428 G429 N434 Y435V293-E432 HydrophobicContact CG1-CG 4.44Å; K296-E432 WeakPolarHBondContact CE-OE2 3.35Å; K296-E432 IonicContact NZ-OE2 3.24Å; K296-E432 PolarHBondContact NZ-OE2 2.97Å; W351-E432 PolarHBondContact NE1-OE2 2.72Å; R363-E432 IonicContact CZ-OE1 3.91Å; R363-E432 VanDerWaalsContact CZ-OE1 3.29Å; R363-E432 IonicContact NH1-OE1 3.6Å; R363-E432 PolarHBondContact NH1-OE1 2.81Å; R363-E432 IonicContact NH2-OE1 2.85Å; R363-E432 PolarHBondContact NH2-OE1 3.14Å; R363-E432 IonicContact NH2-OE2 2.87Å; T428-E432 PolarHBondContact O-N 3.38Å; G429-E432 PolarHBondContact O-N 3.27Å; E432-N434 PolarHBondContact O-N 3.22Å; E432-Y435 PolarHBondContact O-N 2.84Å
433N87.9Confident90Very high75 Ų7553.6 Ų53.640%0.40125%0.248SC..Hα-helixtrans-61.8-31.4179.3-17286.1000112.9V360 G429 Y430 Y435V360-N433 HydrophobicContact CG2-CB 3.87Å; G429-N433 WeakPolarHBondContact O-CB 3.34Å; G429-N433 PolarHBondContact O-N 3.4Å; Y430-N433 PolarHBondContact O-N 2.88Å; N433-Y435 PolarHBondContact O-N 2.96Å
434N88Confident89.3Confident80 Ų8054.2 Ų54.243%0.42825%0.252SS..THydrogen-bonded Turntrans-84.46.5176.5-68.6-26.3000113.3Y430 I431 E432 Q436Y430-N434 VanDerWaalsContact O-CB 3.28Å; Y430-N434 WeakPolarHBondContact O-CB 3.27Å; Y430-N434 PolarHBondContact O-N 3.37Å; Y430-N434 PolarHBondContact O-ND2 3.05Å; Y430-N434 VanDerWaalsContact O-ND2 3.1Å; I431-N434 PolarHBondContact O-N 3.19Å; E432-N434 PolarHBondContact O-N 3.22Å; N434-Q436 VanDerWaalsContact C-N 3.28Å; N434-Q436 HydrophobicContact CB-CG 3.95Å; N434-Q436 PolarHBondContact O-N 3.23Å
435Y85.8Confident88.4Confident61 Ų6155.6 Ų55.624%0.23926%0.261CS..THydrogen-bonded Turntrans53.145-178.1-146.9-97.4000112.7V293 I431 E432 N433 V444 A463 F465V293-Y435 HydrophobicContact CG1-CD2 4.16Å; V293-Y435 HydrophobicContact CG1-CE2 4.4Å; V293-Y435 HydrophobicContact CG2-CD1 4.23Å; V293-Y435 HydrophobicContact CG2-CD2 4.46Å; V293-Y435 HydrophobicContact CG2-CE1 4.03Å; V293-Y435 HydrophobicContact CG2-CE2 4.3Å; V293-Y435 HydrophobicContact CG2-CG 4.43Å; I431-Y435 PolarHBondContact O-N 2.97Å; E432-Y435 PolarHBondContact O-N 2.84Å; N433-Y435 PolarHBondContact O-N 2.96Å; Y435-V444 HydrophobicContact CD1-CB 3.94Å; Y435-V444 HydrophobicContact CE1-CB 3.99Å; Y435-V444 HydrophobicContact CE1-CG1 4.15Å; Y435-V444 PolarHBondContact O-N 3.48Å; Y435-A463 HydrophobicContact CE1-CB 4.39Å; Y435-A463 WeakPolarHBondContact OH-CB 3.47Å; Y435-F465 HydrophobicContact CD1-CE1 4.15Å; Y435-F465 HydrophobicContact CD1-CZ 4.17Å; Y435-F465 HydrophobicContact CE1-CD1 4.15Å; Y435-F465 AromaticContact CE1-CE1 3.35Å; Y435-F465 HydrophobicContact CE1-CE1 3.35Å; Y435-F465 AromaticContact CE1-CE2 3.86Å; Y435-F465 HydrophobicContact CE1-CE2 3.86Å; Y435-F465 AromaticContact CE1-CZ 3.18Å; Y435-F465 HydrophobicContact CE1-CZ 3.18Å; Y435-F465 HydrophobicContact CE2-CD1 4.45Å; Y435-F465 HydrophobicContact CE2-CE1 4.33Å; Y435-F465 AromaticContact CZ-CD1 3.76Å; Y435-F465 AromaticContact CZ-CE1 3.44Å; Y435-F465 VanDerWaalsContact CZ-CE1 3.44Å; Y435-F465 AromaticContact CZ-CE2 3.96Å; Y435-F465 AromaticContact CZ-CZ 3.57Å; Y435-F465 WeakPolarHBondContact OH-CD1 3.46Å; Y435-F465 VanDerWaalsContact OH-CD2 3.26Å; Y435-F465 WeakPolarHBondContact OH-CD2 3.22Å; Y435-F465 WeakPolarHBondContact OH-CE1 3.41Å; Y435-F465 VanDerWaalsContact OH-CE2 3.3Å; Y435-F465 WeakPolarHBondContact OH-CE2 3.26Å; Y435-F465 WeakPolarHBondContact OH-CG 3.43Å; Y435-F465 WeakPolarHBondContact OH-CZ 3.46Å
436Q88.1Confident87.4Confident40 Ų4062.3 Ų62.319%0.18729%0.29CS..BIsolated β-bridgetrans-99.9147.4179.5-66175-10.400111I431 N434 S438 C441 R442 K443I431-Q436 HydrophobicContact CG2-CB 3.74Å; I431-Q436 WeakPolarHBondContact O-CB 3.31Å; I431-Q436 PolarHBondContact O-N 3.09Å; N434-Q436 VanDerWaalsContact C-N 3.28Å; N434-Q436 HydrophobicContact CB-CG 3.95Å; N434-Q436 PolarHBondContact O-N 3.23Å; Q436-S438 PolarHBondContact O-N 2.87Å; Q436-C441 PolarHBondContact OE1-O 3.49Å; Q436-R442 CarbonylContact C-O 3.51Å; Q436-R442 VanDerWaalsContact CA-O 3.31Å; Q436-R442 WeakPolarHBondContact CA-O 3.37Å; Q436-K443 HydrophobicContact CG-CG 4.18Å
437H86.9Confident86.1Confident10 Ų1064.9 Ų64.95%0.04631%0.306CS..  trans-60.8127.1173.9-172.8-59.2000109.7I439 F440 C441 R442 V444 L460H437-I439 PolarHBondContact ND1-N 3.12Å; H437-I439 PolarHBondContact O-N 3.07Å; H437-F440 AromaticContact CD2-CD2 3.96Å; H437-F440 AromaticContact CE1-CD2 3.64Å; H437-F440 AromaticContact CE1-CE2 3.93Å; H437-F440 AromaticContact CG-CD2 3.86Å; H437-F440 AromaticContact ND1-CD2 3.65Å; H437-F440 PolarHBondContact ND1-N 3.34Å; H437-F440 AromaticContact NE2-CD2 3.8Å; H437-F440 AromaticContact NE2-CE2 3.96Å; H437-F440 PolarHBondContact O-N 2.94Å; H437-C441 WeakPolarHBondContact O-CA 3.41Å; H437-C441 PolarHBondContact O-N 2.96Å; H437-R442 WeakPolarHBondContact CB-O 3.43Å; H437-R442 PolarHBondContact N-O 2.96Å; H437-V444 HydrophobicContact CB-CG2 4Å; H437-L460 PolarHBondContact NE2-O 3.12Å
438S85.8Confident85Confident8 Ų867.4 Ų67.46%0.05632%0.32CS..THydrogen-bonded Turntrans-56.7-40.4-175.755.50000115.4C292 S295 W298 Q436C292-S438 WeakPolarHBondContact O-CB 3.32Å; C292-S438 PolarHBondContact O-N 3.36Å; C292-S438 PolarHBondContact O-OG 2.83Å; S295-S438 WeakPolarHBondContact O-CB 3.19Å; W298-S438 VanDerWaalsContact CD1-O 3.3Å; W298-S438 PolarHBondContact NE1-O 2.77Å; Q436-S438 PolarHBondContact O-N 2.87Å
439I85.7Confident84.1Confident78 Ų7868.8 Ų68.840%0.433%0.333SS..THydrogen-bonded Turntrans-78-54.6178.6-56.9175.1000112P297 W298 H437P297-I439 HydrophobicContact CG-CG1 3.9Å; W298-I439 HydrophobicContact CZ2-CG2 4.29Å; W298-I439 PolarHBondContact NE1-O 3.05Å; H437-I439 PolarHBondContact ND1-N 3.12Å; H437-I439 PolarHBondContact O-N 3.07Å
440F85Confident83Confident127 Ų12769.8 Ų69.856%0.55734%0.338SS*.THydrogen-bonded Turntrans-89-8.6-170.9-57.1-63.8000114.7H437 R442H437-F440 AromaticContact CD2-CD2 3.96Å; H437-F440 AromaticContact CE1-CD2 3.64Å; H437-F440 AromaticContact CE1-CE2 3.93Å; H437-F440 AromaticContact CG-CD2 3.86Å; H437-F440 AromaticContact ND1-CD2 3.65Å; H437-F440 PolarHBondContact ND1-N 3.34Å; H437-F440 AromaticContact NE2-CD2 3.8Å; H437-F440 AromaticContact NE2-CE2 3.96Å; H437-F440 PolarHBondContact O-N 2.94Å; F440-R442 HydrophobicContact CB-CG 4.39Å; F440-R442 PolarHBondContact O-N 2.98Å; F440-R442 VanDerWaalsContact O-N 3.1Å
441C84.6Confident82.1Confident58 Ų5873 Ų7339%0.39236%0.355SS..  trans5426.6-176-54.40000113.8Q436 H437Q436-C441 PolarHBondContact OE1-O 3.49Å; H437-C441 WeakPolarHBondContact O-CA 3.41Å; H437-C441 PolarHBondContact O-N 2.96Å
442R85.7Confident81.4Confident193 Ų19379.3 Ų79.373%0.72838%0.384SS*.PPolyproline II helixtrans-103.2144.8178.5-69.7-172.8180-169.9-0.1110.5Q436 H437 F440 V444Q436-R442 CarbonylContact C-O 3.51Å; Q436-R442 VanDerWaalsContact CA-O 3.31Å; Q436-R442 WeakPolarHBondContact CA-O 3.37Å; H437-R442 WeakPolarHBondContact CB-O 3.43Å; H437-R442 PolarHBondContact N-O 2.96Å; F440-R442 HydrophobicContact CB-CG 4.39Å; F440-R442 PolarHBondContact O-N 2.98Å; F440-R442 VanDerWaalsContact O-N 3.1Å; R442-V444 PolarHBondContact O-N 3.31Å
443K84.6Confident80.9Confident165 Ų16582.8 Ų82.872%0.71740%0.399SS*.BIsolated β-bridgetrans-56.4131177.4-69.5-173175.7-175.20110.8Q436Q436-K443 HydrophobicContact CG-CG 4.18Å
444V82.4Confident80.6Confident12 Ų1282.3 Ų82.37%0.07340%0.4CS..PPolyproline II helixtrans-79128.5175.1179.20000108.4V293 Y435 H437 R442 L461 A463V293-V444 HydrophobicContact CG2-CB 4.28Å; V293-V444 HydrophobicContact CG2-CG2 3.67Å; Y435-V444 HydrophobicContact CD1-CB 3.94Å; Y435-V444 HydrophobicContact CE1-CB 3.99Å; Y435-V444 HydrophobicContact CE1-CG1 4.15Å; Y435-V444 PolarHBondContact O-N 3.48Å; H437-V444 HydrophobicContact CB-CG2 4Å; R442-V444 PolarHBondContact O-N 3.31Å; V444-L461 HydrophobicContact CB-CD2 4.35Å; V444-L461 HydrophobicContact CG1-CD2 3.95Å; V444-L461 HydrophobicContact CG2-CD2 3.98Å; V444-A463 HydrophobicContact CG1-CB 4.33Å
445P77.7Confident80.2Confident38 Ų3882.2 Ų82.225%0.24741%0.41CS..PPolyproline II helixtrans-62.5152.9176.4-17.229000111.8A449 L450P445-A449 HydrophobicContact CB-CB 4.14Å; P445-L450 HydrophobicContact CB-CD1 3.78Å; P445-L450 HydrophobicContact CG-CD1 3.82Å
446K76.3Confident79.8Confident141 Ų14187.3 Ų87.361%0.61343%0.429SS*.PPolyproline II helixtrans-58.8155.9171.8-70.3-172.3175.5-168.30111.4E448 A449 L450K446-E448 PolarHBondContact O-N 3.38Å; K446-A449 PolarHBondContact O-N 2.94Å; K446-A449 VanDerWaalsContact O-N 3.11Å; K446-L450 PolarHBondContact O-N 2.87Å; K446-L450 VanDerWaalsContact O-N 3.14Å
447P69.1Low79.2Confident53 Ų5388.8 Ų88.834%0.34443%0.433SS..Hα-helixtrans-53.4-41.4-177-22.731.9000112.8A449 L450 Q451 F465P447-A449 PolarHBondContact O-N 3.2Å; P447-L450 WeakPolarHBondContact O-CA 3.38Å; P447-L450 WeakPolarHBondContact O-CB 3.27Å; P447-L450 PolarHBondContact O-N 3.36Å; P447-Q451 PolarHBondContact O-N 3.44Å; P447-Q451 VanDerWaalsContact O-N 3.1Å; P447-F465 VanDerWaalsContact CD-CE2 3.49Å; P447-F465 HydrophobicContact CG-CD1 4.38Å; P447-F465 HydrophobicContact CG-CD2 3.41Å; P447-F465 VanDerWaalsContact CG-CD2 3.41Å; P447-F465 HydrophobicContact CG-CE1 4.49Å; P447-F465 HydrophobicContact CG-CE2 3.52Å; P447-F465 HydrophobicContact CG-CG 3.85Å; P447-F465 HydrophobicContact CG-CZ 4.08Å
448E72.6Confident78.5Confident143 Ų14393.3 Ų93.367%0.66845%0.45SS*.Hα-helixtrans-56.2-49.5179.6-61149179.300111.4K446 L450 Q451K446-E448 PolarHBondContact O-N 3.38Å; E448-L450 VanDerWaalsContact C-N 3.26Å; E448-L450 PolarHBondContact O-N 3.49Å; E448-Q451 PolarHBondContact O-N 2.61Å
449A72.9Confident77.9Confident45 Ų45100.7 Ų100.737%0.37248%0.482SS..Hα-helixtrans-71.3-21.7178.200000112.9P445 K446 P447P445-A449 HydrophobicContact CB-CB 4.14Å; K446-A449 PolarHBondContact O-N 2.94Å; K446-A449 VanDerWaalsContact O-N 3.11Å; P447-A449 PolarHBondContact O-N 3.2Å
450L70.9Confident77.1Confident21 Ų21100.9 Ų100.911%0.1148%0.483CS..Hα-helixtrans-76.7-30.2177.2-130.386000111.9P445 K446 P447 E448 E452 K453 Y457 R458 L461P445-L450 HydrophobicContact CB-CD1 3.78Å; P445-L450 HydrophobicContact CG-CD1 3.82Å; K446-L450 PolarHBondContact O-N 2.87Å; K446-L450 VanDerWaalsContact O-N 3.14Å; P447-L450 WeakPolarHBondContact O-CA 3.38Å; P447-L450 WeakPolarHBondContact O-CB 3.27Å; P447-L450 PolarHBondContact O-N 3.36Å; E448-L450 VanDerWaalsContact C-N 3.26Å; E448-L450 PolarHBondContact O-N 3.49Å; L450-E452 PolarHBondContact O-N 3.42Å; L450-K453 WeakPolarHBondContact O-CB 3.45Å; L450-K453 PolarHBondContact O-N 3.21Å; L450-K453 VanDerWaalsContact O-N 3.08Å; L450-Y457 HydrophobicContact CD1-CE1 4.39Å; L450-R458 HydrophobicContact CD2-CB 4.45Å; L450-R458 HydrophobicContact CD2-CG 4.47Å; L450-R458 VanDerWaalsContact O-CG 3.32Å; L450-R458 WeakPolarHBondContact O-CG 3.29Å; L450-R458 PolarHBondContact O-NE 3.08Å; L450-L461 HydrophobicContact CD1-CB 3.98Å; L450-L461 HydrophobicContact CD1-CD1 4.28Å; L450-L461 HydrophobicContact CD2-CB 3.93Å; L450-L461 HydrophobicContact CG-CB 4.41Å
451Q72.3Confident76.5Confident135 Ų13595.6 Ų95.663%0.63146%0.46SS*.THydrogen-bonded Turntrans-66.4-18.9179.4-71.8-177.22.900113.7P447 E448 K453 R458P447-Q451 PolarHBondContact O-N 3.44Å; P447-Q451 VanDerWaalsContact O-N 3.1Å; E448-Q451 PolarHBondContact O-N 2.61Å; Q451-K453 VanDerWaalsContact C-N 3.34Å; Q451-R458 PolarHBondContact O-NH1 3.45Å; Q451-R458 PolarHBondContact O-NH2 2.96Å
452E78.1Confident75.5Confident166 Ų16695.3 Ų95.378%0.77646%0.457SS*.THydrogen-bonded Turntrans-83.6-11.5174.5-62.8-177.2168.600113L450L450-E452 PolarHBondContact O-N 3.42Å
453K78Confident74.3Confident90 Ų9087 Ų8739%0.39143%0.429SS..SBendtrans-90.6158.5-172-61.3-66.4-179-166.70112.2L450 Q451 Y457 R458L450-K453 WeakPolarHBondContact O-CB 3.45Å; L450-K453 PolarHBondContact O-N 3.21Å; L450-K453 VanDerWaalsContact O-N 3.08Å; Q451-K453 VanDerWaalsContact C-N 3.34Å; K453-Y457 HydrophobicContact CB-CD1 3.37Å; K453-Y457 HydrophobicContact CB-CE1 4.02Å; K453-Y457 HydrophobicContact CB-CG 4.1Å; K453-Y457 HydrophobicContact CD-CD1 4.19Å; K453-Y457 HydrophobicContact CD-CE1 4.11Å; K453-Y457 HydrophobicContact CG-CD1 3.56Å; K453-Y457 HydrophobicContact CG-CE1 3.64Å; K453-R458 PolarHBondContact O-NE 2.9Å; K453-R458 PolarHBondContact O-NH2 2.87Å
454P83Confident73.1Confident65 Ų6587.1 Ų87.142%0.42243%0.425SS..  trans-64.2156.3177.125.8-35.1000112.5W456 Y457 R458P454-W456 VanDerWaalsContact C-N 3.31Å; P454-W456 HydrophobicContact CG-CZ2 4.2Å; P454-W456 VanDerWaalsContact CG-NE1 3.29Å; P454-W456 PolarHBondContact O-N 2.9Å; P454-Y457 WeakPolarHBondContact O-CB 3.32Å; P454-Y457 PolarHBondContact O-N 3.05Å; P454-R458 PolarHBondContact O-N 3.28Å; P454-R458 VanDerWaalsContact O-N 3.09Å
455A78.1Confident71.6Confident78 Ų7888.8 Ų88.865%0.64543%0.432SS*.Hα-helixtrans-56.8-39.1-173.700000113.8Y457 R458 F459A455-Y457 VanDerWaalsContact C-N 3.29Å; A455-Y457 PolarHBondContact O-N 3.43Å; A455-R458 PolarHBondContact O-N 3.33Å; A455-F459 WeakPolarHBondContact O-CB 3.44Å; A455-F459 PolarHBondContact O-N 3.31Å
456W77.2Confident70.2Confident168 Ų16889.7 Ų89.764%0.63644%0.439SS*.Hα-helixtrans-63.2-35.417769.7-97.1000112.5P454 L460P454-W456 VanDerWaalsContact C-N 3.31Å; P454-W456 HydrophobicContact CG-CZ2 4.2Å; P454-W456 VanDerWaalsContact CG-NE1 3.29Å; P454-W456 PolarHBondContact O-N 2.9Å; W456-L460 HydrophobicContact CE3-CD1 3.64Å; W456-L460 HydrophobicContact CZ3-CD1 3.74Å; W456-L460 PolarHBondContact O-N 3.32Å; W456-L460 VanDerWaalsContact O-N 3.15Å
457Y76.4Confident68.7Low70 Ų7091.3 Ų91.328%0.27545%0.449SS..Hα-helixtrans-73.2-40.6178.2-174.7-92.7000110.9L450 K453 P454 A455 F459 L460 L461L450-Y457 HydrophobicContact CD1-CE1 4.39Å; K453-Y457 HydrophobicContact CB-CD1 3.37Å; K453-Y457 HydrophobicContact CB-CE1 4.02Å; K453-Y457 HydrophobicContact CB-CG 4.1Å; K453-Y457 HydrophobicContact CD-CD1 4.19Å; K453-Y457 HydrophobicContact CD-CE1 4.11Å; K453-Y457 HydrophobicContact CG-CD1 3.56Å; K453-Y457 HydrophobicContact CG-CE1 3.64Å; P454-Y457 WeakPolarHBondContact O-CB 3.32Å; P454-Y457 PolarHBondContact O-N 3.05Å; A455-Y457 VanDerWaalsContact C-N 3.29Å; A455-Y457 PolarHBondContact O-N 3.43Å; Y457-F459 VanDerWaalsContact C-N 3.35Å; Y457-L460 PolarHBondContact O-N 2.82Å; Y457-L461 HydrophobicContact CD1-CD1 3.53Å; Y457-L461 HydrophobicContact CD2-CD1 4.01Å; Y457-L461 HydrophobicContact CE1-CD1 3.05Å; Y457-L461 HydrophobicContact CE1-CG 4.49Å; Y457-L461 HydrophobicContact CE2-CD1 3.56Å; Y457-L461 HydrophobicContact CG-CD1 4.01Å; Y457-L461 WeakPolarHBondContact O-CB 3.47Å; Y457-L461 PolarHBondContact O-N 3.37Å; Y457-L461 WeakPolarHBondContact OH-CD1 3.35Å
458R72.8Confident67.4Low106 Ų10695.6 Ų95.640%0.447%0.469SS..Hα-helixtrans-61.4-43.7172.8-63.9-175.2-145.8-1713.9111.6L450 Q451 K453 P454 A455 L460 L461 T462L450-R458 HydrophobicContact CD2-CB 4.45Å; L450-R458 HydrophobicContact CD2-CG 4.47Å; L450-R458 VanDerWaalsContact O-CG 3.32Å; L450-R458 WeakPolarHBondContact O-CG 3.29Å; L450-R458 PolarHBondContact O-NE 3.08Å; Q451-R458 PolarHBondContact O-NH1 3.45Å; Q451-R458 PolarHBondContact O-NH2 2.96Å; K453-R458 PolarHBondContact O-NE 2.9Å; K453-R458 PolarHBondContact O-NH2 2.87Å; P454-R458 PolarHBondContact O-N 3.28Å; P454-R458 VanDerWaalsContact O-N 3.09Å; A455-R458 PolarHBondContact O-N 3.33Å; R458-L460 PolarHBondContact O-N 2.99Å; R458-L461 CarbonylContact O-C 3.32Å; R458-L461 VanDerWaalsContact O-C 3.32Å; R458-L461 PolarHBondContact O-N 3.12Å; R458-T462 PolarHBondContact O-N 3.19Å; R458-T462 PolarHBondContact O-OG1 2.7Å; R458-T462 VanDerWaalsContact O-OG1 3.09Å
459F72.8Confident66Low163 Ų16392.7 Ų92.772%0.71546%0.461SS*.Hα-helixtrans-58-48.5177.5178.8-100.6000111.5A455 Y457 L461 T462A455-F459 WeakPolarHBondContact O-CB 3.44Å; A455-F459 PolarHBondContact O-N 3.31Å; Y457-F459 VanDerWaalsContact C-N 3.35Å; F459-L461 VanDerWaalsContact C-N 3.28Å; F459-L461 PolarHBondContact O-N 3.2Å; F459-T462 PolarHBondContact O-N 3.24Å; F459-T462 PolarHBondContact O-OG1 3.24Å
460L69.5Low64.4Low81 Ų8195 Ų9542%0.42448%0.48SS..Hα-helixtrans-61.3-34.3176.3-79.1166.5000113.4C292 H437 W456 Y457 R458C292-L460 WeakPolarHBondContact CB-O 3.23Å; H437-L460 PolarHBondContact NE2-O 3.12Å; W456-L460 HydrophobicContact CE3-CD1 3.64Å; W456-L460 HydrophobicContact CZ3-CD1 3.74Å; W456-L460 PolarHBondContact O-N 3.32Å; W456-L460 VanDerWaalsContact O-N 3.15Å; Y457-L460 PolarHBondContact O-N 2.82Å; R458-L460 PolarHBondContact O-N 2.99Å
461L70.9Confident62.9Low16 Ų16102.5 Ų102.58%0.08451%0.514CS..THydrogen-bonded Turntrans-103.722.7-176.7-74155.1000113V444 L450 Y457 R458 F459 A463V444-L461 HydrophobicContact CB-CD2 4.35Å; V444-L461 HydrophobicContact CG1-CD2 3.95Å; V444-L461 HydrophobicContact CG2-CD2 3.98Å; L450-L461 HydrophobicContact CD1-CB 3.98Å; L450-L461 HydrophobicContact CD1-CD1 4.28Å; L450-L461 HydrophobicContact CD2-CB 3.93Å; L450-L461 HydrophobicContact CG-CB 4.41Å; Y457-L461 HydrophobicContact CD1-CD1 3.53Å; Y457-L461 HydrophobicContact CD2-CD1 4.01Å; Y457-L461 HydrophobicContact CE1-CD1 3.05Å; Y457-L461 HydrophobicContact CE1-CG 4.49Å; Y457-L461 HydrophobicContact CE2-CD1 3.56Å; Y457-L461 HydrophobicContact CG-CD1 4.01Å; Y457-L461 WeakPolarHBondContact O-CB 3.47Å; Y457-L461 PolarHBondContact O-N 3.37Å; Y457-L461 WeakPolarHBondContact OH-CD1 3.35Å; R458-L461 CarbonylContact O-C 3.32Å; R458-L461 VanDerWaalsContact O-C 3.32Å; R458-L461 PolarHBondContact O-N 3.12Å; F459-L461 VanDerWaalsContact C-N 3.28Å; F459-L461 PolarHBondContact O-N 3.2Å; L461-A463 PolarHBondContact O-N 3.36Å
462T65Low61.2Low53 Ų53100.2 Ų100.233%0.32553%0.527SS..  trans-61.7110.3175.2-53.30000108C292 R458 F459C292-T462 PolarHBondContact N-O 3.29Å; C292-T462 PolarHBondContact SG-O 3.02Å; R458-T462 PolarHBondContact O-N 3.19Å; R458-T462 PolarHBondContact O-OG1 2.7Å; R458-T462 VanDerWaalsContact O-OG1 3.09Å; F459-T462 PolarHBondContact O-N 3.24Å; F459-T462 PolarHBondContact O-OG1 3.24Å
463A59.8Low59.3Low18 Ų1899.7 Ų99.715%0.14953%0.525CS..  trans-129.4130.7172.500000107.2V293 Y435 V444 L461 F465V293-A463 HydrophobicContact CG2-CB 4Å; Y435-A463 HydrophobicContact CE1-CB 4.39Å; Y435-A463 WeakPolarHBondContact OH-CB 3.47Å; V444-A463 HydrophobicContact CG1-CB 4.33Å; L461-A463 PolarHBondContact O-N 3.36Å; A463-F465 HydrophobicContact CB-CE2 4.45Å; A463-F465 PolarHBondContact O-N 3.47Å
464R58.5Low57.5Low168 Ų168104.3 Ų104.363%0.63455%0.548SS*.  trans-82.2111.6171.4-76.9-173179.2-175.4-0.3107.4D291 R294D291-R464 PolarHBondContact OD2-N 3.48Å; D291-R464 VanDerWaalsContact OD2-N 3.14Å; R294-R464 PolarHBondContact NH1-O 2.94Å
465F51.6Low55.4Low46 Ų46103.6 Ų103.620%0.20255%0.547CS..  trans-72.7134.3174.4-80.2-98.7000109.3Y435 P447 A463 E467 D468Y435-F465 HydrophobicContact CD1-CE1 4.15Å; Y435-F465 HydrophobicContact CD1-CZ 4.17Å; Y435-F465 HydrophobicContact CE1-CD1 4.15Å; Y435-F465 AromaticContact CE1-CE1 3.35Å; Y435-F465 HydrophobicContact CE1-CE1 3.35Å; Y435-F465 AromaticContact CE1-CE2 3.86Å; Y435-F465 HydrophobicContact CE1-CE2 3.86Å; Y435-F465 AromaticContact CE1-CZ 3.18Å; Y435-F465 HydrophobicContact CE1-CZ 3.18Å; Y435-F465 HydrophobicContact CE2-CD1 4.45Å; Y435-F465 HydrophobicContact CE2-CE1 4.33Å; Y435-F465 AromaticContact CZ-CD1 3.76Å; Y435-F465 AromaticContact CZ-CE1 3.44Å; Y435-F465 VanDerWaalsContact CZ-CE1 3.44Å; Y435-F465 AromaticContact CZ-CE2 3.96Å; Y435-F465 AromaticContact CZ-CZ 3.57Å; Y435-F465 WeakPolarHBondContact OH-CD1 3.46Å; Y435-F465 VanDerWaalsContact OH-CD2 3.26Å; Y435-F465 WeakPolarHBondContact OH-CD2 3.22Å; Y435-F465 WeakPolarHBondContact OH-CE1 3.41Å; Y435-F465 VanDerWaalsContact OH-CE2 3.3Å; Y435-F465 WeakPolarHBondContact OH-CE2 3.26Å; Y435-F465 WeakPolarHBondContact OH-CG 3.43Å; Y435-F465 WeakPolarHBondContact OH-CZ 3.46Å; P447-F465 VanDerWaalsContact CD-CE2 3.49Å; P447-F465 HydrophobicContact CG-CD1 4.38Å; P447-F465 HydrophobicContact CG-CD2 3.41Å; P447-F465 VanDerWaalsContact CG-CD2 3.41Å; P447-F465 HydrophobicContact CG-CE1 4.49Å; P447-F465 HydrophobicContact CG-CE2 3.52Å; P447-F465 HydrophobicContact CG-CG 3.85Å; P447-F465 HydrophobicContact CG-CZ 4.08Å; A463-F465 HydrophobicContact CB-CE2 4.45Å; A463-F465 PolarHBondContact O-N 3.47Å; F465-E467 PolarHBondContact O-N 3.3Å; F465-D468 PolarHBondContact O-N 2.95Å
466S49.4Very low54.1Low58 Ų58105.4 Ų105.441%0.40655%0.546SS..G310 helixtrans-66.6-20.3-178.5-57.20000112.9R294 D468 T469R294-S466 PolarHBondContact NH2-OG 3.13Å; S466-D468 PolarHBondContact O-N 3.46Å; S466-T469 PolarHBondContact O-N 3.13Å; S466-T469 VanDerWaalsContact O-N 3.17Å; S466-T469 PolarHBondContact O-OG1 3.03Å
467E43.7Very low52.8Low174 Ų17499.6 Ų99.681%0.81353%0.529SS*.G310 helixtrans-66.9-19.9178.6-74.8-176.9171.400113.9F465 T469 A470F465-E467 PolarHBondContact O-N 3.3Å; E467-T469 PolarHBondContact O-N 2.92Å; E467-A470 PolarHBondContact O-N 3Å
468D41.8Very low51.9Low143 Ų14398 Ų9877%0.76552%0.523SS*.G310 helixtrans-66.6-4173.3-70.9-24.3000112.8F465 S466F465-D468 PolarHBondContact O-N 2.95Å; S466-D468 PolarHBondContact O-N 3.46Å
469T43.1Very low51.2Low83 Ų8396.8 Ų96.851%0.50952%0.522SS..G310 helixtrans-98.630.5177.461.30000114.1S466 E467 E471S466-T469 PolarHBondContact O-N 3.13Å; S466-T469 VanDerWaalsContact O-N 3.17Å; S466-T469 PolarHBondContact O-OG1 3.03Å; E467-T469 PolarHBondContact O-N 2.92Å; T469-E471 PolarHBondContact O-N 3.16Å
470A39.5Very low50.5Low93 Ų9390.8 Ų90.877%0.76950%0.5SS*.  trans-63.7-4179.300000115.2E467E467-A470 PolarHBondContact O-N 3Å
471E39.3Very low50.7Low178 Ų17887.2 Ų87.283%0.83248%0.481SS*.SBendtrans-13294.3-179-65.9-177.2177.800112T469 E473T469-E471 PolarHBondContact O-N 3.16Å; E471-E473 VanDerWaalsContact C-N 3.28Å; E471-E473 PolarHBondContact O-N 2.82Å
472G36.3Very low51.2Low87 Ų8793.1 Ų93.190%0.89751%0.512SS*.SBendtrans72.3-18.9145.200000120.2
473E38.7Very low52Low155 Ų15592 Ų9272%0.72450%0.504SS*.  trans-99.699.7174.8-70-169.7167.900109.8E471 A475E471-E473 VanDerWaalsContact C-N 3.28Å; E471-E473 PolarHBondContact O-N 2.82Å; E473-A475 HydrophobicContact CB-CB 4.42Å; E473-A475 PolarHBondContact O-N 2.81Å
474E39.3Very low53.1Low188 Ų18891.6 Ų91.688%0.87950%0.499SS*.  trans-63.649.2159.2-66.8-177.7158.300110.5N476E474-N476 PolarHBondContact O-N 3.47Å
475A39.8Very low54.2Low49 Ų4986.1 Ų86.141%0.40549%0.486SS..  trans-65.288.3170.200000106.6E473 T477E473-A475 HydrophobicContact CB-CB 4.42Å; E473-A475 PolarHBondContact O-N 2.81Å; A475-T477 PolarHBondContact O-N 2.94Å
476N50Low55.9Low116 Ų11688.7 Ų88.762%0.6250%0.498SS*.  trans-44.1113.4175.6-83.6-38.7000107.8E474 Y478 E479E474-N476 PolarHBondContact O-N 3.47Å; N476-Y478 PolarHBondContact O-N 3.33Å; N476-E479 PolarHBondContact O-N 3.49Å
477T51.4Low57.7Low46 Ų4686.2 Ų86.228%0.28248%0.479SS..G310 helixtrans-59-16.3-169.9-370000112.7A475 E479 S480A475-T477 PolarHBondContact O-N 2.94Å; T477-E479 PolarHBondContact O-N 3.41Å; T477-S480 WeakPolarHBondContact O-CB 3.29Å; T477-S480 PolarHBondContact O-N 3.01Å; T477-S480 VanDerWaalsContact O-N 3.14Å; T477-S480 PolarHBondContact O-OG 2.87Å
478Y56.9Low59.6Low38 Ų3881.7 Ų81.715%0.14946%0.457CS..G310 helixtrans-47.2-31.8164.4-176.1-122.6000115R352 K353 N476 S480 H481 V484R352-Y478 HydrophobicContact CB-CD2 3.51Å; R352-Y478 HydrophobicContact CB-CE2 3.43Å; R352-Y478 VanDerWaalsContact CB-CE2 3.43Å; R352-Y478 HydrophobicContact CG-CE2 4.47Å; R352-Y478 WeakPolarHBondContact O-CD2 3.26Å; K353-Y478 HydrophobicContact CG-CD1 4.27Å; K353-Y478 HydrophobicContact CG-CE1 3.93Å; K353-Y478 HydrophobicContact CG-CE2 4.43Å; N476-Y478 PolarHBondContact O-N 3.33Å; Y478-S480 PolarHBondContact O-N 3.36Å; Y478-S480 VanDerWaalsContact O-N 3.08Å; Y478-H481 PolarHBondContact O-N 3.16Å; Y478-V484 HydrophobicContact CD1-CG1 3.84Å; Y478-V484 HydrophobicContact CD1-CG2 4.31Å; Y478-V484 HydrophobicContact CD2-CG2 4.35Å; Y478-V484 HydrophobicContact CE1-CB 4.33Å; Y478-V484 HydrophobicContact CE1-CG1 3.61Å; Y478-V484 HydrophobicContact CE1-CG2 3.66Å; Y478-V484 HydrophobicContact CE2-CG2 3.72Å; Y478-V484 WeakPolarHBondContact OH-CG2 3.38Å
479E58.4Low61.5Low80 Ų8083.4 Ų83.437%0.37445%0.453SS..G310 helixtrans-64.7-12.3179.2-67.5-164.3175.800113.8N476 T477 H481 K488N476-E479 PolarHBondContact O-N 3.49Å; T477-E479 PolarHBondContact O-N 3.41Å; E479-H481 PolarHBondContact O-N 2.85Å; E479-K488 IonicContact OE1-NZ 3.84Å; E479-K488 PolarHBondContact OE1-NZ 3.05Å
480S58Low63.6Low36 Ų3686.7 Ų86.725%0.25246%0.457SS..G310 helixtrans-68.3-15.4175.3600000114.2M289 T477 Y478 L482M289-S480 WeakPolarHBondContact CE-OG 3.23Å; T477-S480 WeakPolarHBondContact O-CB 3.29Å; T477-S480 PolarHBondContact O-N 3.01Å; T477-S480 VanDerWaalsContact O-N 3.14Å; T477-S480 PolarHBondContact O-OG 2.87Å; Y478-S480 PolarHBondContact O-N 3.36Å; Y478-S480 VanDerWaalsContact O-N 3.08Å; S480-L482 PolarHBondContact O-N 3.39Å
481H73.6Confident66.2Low7 Ų784 Ų843%0.03243%0.427CS..SBendtrans-74.8125.9-179.8-171.2-72.9000110.6M289 R352 Y478 E479 L483 V484 C485M289-H481 VanDerWaalsContact CE-CA 3.44Å; M289-H481 HydrophobicContact CE-CB 3.5Å; M289-H481 VanDerWaalsContact CE-CB 3.5Å; M289-H481 WeakPolarHBondContact SD-CA 3.37Å; M289-H481 HydrophobicContact SD-CB 3.49Å; M289-H481 WeakPolarHBondContact SD-CB 3.39Å; M289-H481 PolarHBondContact SD-CD2 3.23Å; R352-H481 PolarHBondContact NH1-CD2 2.75Å; R352-H481 PolarHBondContact NH1-NE2 3.06Å; Y478-H481 PolarHBondContact O-N 3.16Å; E479-H481 PolarHBondContact O-N 2.85Å; H481-L483 VanDerWaalsContact C-N 3.32Å; H481-L483 WeakPolarHBondContact ND1-CB 3.42Å; H481-L483 PolarHBondContact ND1-N 3.44Å; H481-L483 PolarHBondContact O-N 3.22Å; H481-V484 HydrophobicContact CB-CB 3.99Å; H481-V484 HydrophobicContact CB-CG2 3.65Å; H481-V484 WeakPolarHBondContact O-CA 3.19Å; H481-V484 WeakPolarHBondContact O-CB 3.27Å; H481-V484 PolarHBondContact O-N 3.44Å; H481-C485 PolarHBondContact O-N 3.37Å
482L80Confident68.6Low140 Ų14075.5 Ų75.573%0.73339%0.388SS*.Hα-helixtrans-49.8-49.3-176.8-179.667.4000112.8S480 V484 C485 F486S480-L482 PolarHBondContact O-N 3.39Å; L482-V484 PolarHBondContact O-N 2.92Å; L482-C485 PolarHBondContact O-N 3.23Å; L482-F486 WeakPolarHBondContact O-CB 3.44Å; L482-F486 PolarHBondContact O-N 3.48Å
483L83.8Confident71.1Confident30 Ų3075.2 Ų75.216%0.15737%0.366CS..Hα-helixtrans-65.9-35.3178.7-59.1179.2000113.4H481 L487 V796 L799 Q800H481-L483 VanDerWaalsContact C-N 3.32Å; H481-L483 WeakPolarHBondContact ND1-CB 3.42Å; H481-L483 PolarHBondContact ND1-N 3.44Å; H481-L483 PolarHBondContact O-N 3.22Å; L483-L487 WeakPolarHBondContact O-CB 3.49Å; L483-L487 PolarHBondContact O-N 3.46Å; L483-V796 HydrophobicContact CB-CG1 4.15Å; L483-V796 HydrophobicContact CB-CG2 4.39Å; L483-V796 HydrophobicContact CD1-CG1 4.42Å; L483-L799 HydrophobicContact CD1-CD2 4.37Å; L483-L799 HydrophobicContact CD2-CD2 3.77Å; L483-L799 HydrophobicContact CG-CD2 4.48Å; L483-Q800 HydrophobicContact CD1-CG 3.63Å
484V81.6Confident73.7Confident9 Ų974.6 Ų74.66%0.05536%0.357CS..Hα-helixtrans-67.6-47.7177.11760000109Y478 H481 L482 L487 K488 V796Y478-V484 HydrophobicContact CD1-CG1 3.84Å; Y478-V484 HydrophobicContact CD1-CG2 4.31Å; Y478-V484 HydrophobicContact CD2-CG2 4.35Å; Y478-V484 HydrophobicContact CE1-CB 4.33Å; Y478-V484 HydrophobicContact CE1-CG1 3.61Å; Y478-V484 HydrophobicContact CE1-CG2 3.66Å; Y478-V484 HydrophobicContact CE2-CG2 3.72Å; Y478-V484 WeakPolarHBondContact OH-CG2 3.38Å; H481-V484 HydrophobicContact CB-CB 3.99Å; H481-V484 HydrophobicContact CB-CG2 3.65Å; H481-V484 WeakPolarHBondContact O-CA 3.19Å; H481-V484 WeakPolarHBondContact O-CB 3.27Å; H481-V484 PolarHBondContact O-N 3.44Å; L482-V484 PolarHBondContact O-N 2.92Å; V484-L487 PolarHBondContact O-N 3.45Å; V484-K488 VanDerWaalsContact O-CB 3.23Å; V484-K488 WeakPolarHBondContact O-CB 3.41Å; V484-K488 PolarHBondContact O-N 2.88Å; V484-V796 HydrophobicContact CB-CG2 4.43Å; V484-V796 HydrophobicContact CG2-CG1 4.44Å; V484-V796 HydrophobicContact CG2-CG2 3.73Å
485C81.6Confident76.3Confident53 Ų5365.7 Ų65.736%0.35832%0.315SS..Hα-helixtrans-58.9-49.1177.4-176.70000110.9H481 L482 L487 R489H481-C485 PolarHBondContact O-N 3.37Å; L482-C485 PolarHBondContact O-N 3.23Å; C485-L487 PolarHBondContact O-N 2.99Å; C485-R489 WeakPolarHBondContact O-CA 3.37Å; C485-R489 WeakPolarHBondContact O-CB 3.42Å; C485-R489 PolarHBondContact O-N 3.33Å
486F87.3Confident78.6Confident100 Ų10063.8 Ų63.844%0.43930%0.299SS..Hα-helixtrans-56.9-49.9175.7172.7-101.2000112.2L482 Y490 Y491L482-F486 WeakPolarHBondContact O-CB 3.44Å; L482-F486 PolarHBondContact O-N 3.48Å; F486-Y490 PolarHBondContact O-N 3.25Å; F486-Y490 VanDerWaalsContact O-N 3.12Å; F486-Y491 HydrophobicContact CE1-CD2 4.27Å; F486-Y491 HydrophobicContact CE1-CG 4.37Å; F486-Y491 HydrophobicContact CZ-CD2 4.29Å; F486-Y491 PolarHBondContact O-N 2.81Å
487L87.4Confident80.6Confident5 Ų561.5 Ų61.53%0.02629%0.286CS..Iπ-helixtrans-64.7-49.8-175.6-172.262.5000111.2L483 V484 C485 Y491 C492 L791 V796 F839L483-L487 WeakPolarHBondContact O-CB 3.49Å; L483-L487 PolarHBondContact O-N 3.46Å; V484-L487 PolarHBondContact O-N 3.45Å; C485-L487 PolarHBondContact O-N 2.99Å; L487-Y491 HydrophobicContact CD1-CD1 3.62Å; L487-Y491 HydrophobicContact CD1-CE1 4.49Å; L487-Y491 HydrophobicContact CD1-CG 4.14Å; L487-Y491 PolarHBondContact O-N 2.82Å; L487-C492 VanDerWaalsContact O-CB 3.23Å; L487-C492 WeakPolarHBondContact O-CB 3.31Å; L487-C492 PolarHBondContact O-N 2.95Å; L487-C492 PolarHBondContact O-SG 3.29Å; L487-L791 WeakPolarHBondContact CD2-O 3.47Å; L487-V796 HydrophobicContact CD2-CG2 3.96Å; L487-F839 HydrophobicContact CD1-CE1 4.18Å
488K82.9Confident82.3Confident80 Ų8064.2 Ų64.235%0.34830%0.303SS..Iπ-helixtrans-71.2-48.4-176.9-173.1172.7-173.4-175.70112.7E479 V484 E792E479-K488 IonicContact OE1-NZ 3.84Å; E479-K488 PolarHBondContact OE1-NZ 3.05Å; V484-K488 VanDerWaalsContact O-CB 3.23Å; V484-K488 WeakPolarHBondContact O-CB 3.41Å; V484-K488 PolarHBondContact O-N 2.88Å; K488-E792 HydrophobicContact CB-CG 4.22Å; K488-E792 HydrophobicContact CG-CG 4.2Å
489R82.6Confident84Confident178 Ų17871.3 Ų71.367%0.67233%0.331SS*.Iπ-helixtrans-80-33.6-170.8-166.189.4179.6-164.62.8113.4C485C485-R489 WeakPolarHBondContact O-CA 3.37Å; C485-R489 WeakPolarHBondContact O-CB 3.42Å; C485-R489 PolarHBondContact O-N 3.33Å
490Y88.1Confident85.7Confident153 Ų15368.2 Ų68.260%0.632%0.317SS*.Iπ-helixtrans-118.8-56.1-171.5-61.2-79.8000111.8F486 W494F486-Y490 PolarHBondContact O-N 3.25Å; F486-Y490 VanDerWaalsContact O-N 3.12Å; Y490-W494 VanDerWaalsContact O-CB 3.25Å; Y490-W494 WeakPolarHBondContact O-CB 3.33Å; Y490-W494 PolarHBondContact O-N 3.21Å
491Y92.9Very high87.3Confident35 Ų3567.9 Ų67.914%0.13731%0.311CS..Iπ-helixtrans-69.3-49.1-169-172.1-96.6000113.3F486 L487 D493 W494 I495 F839F486-Y491 HydrophobicContact CE1-CD2 4.27Å; F486-Y491 HydrophobicContact CE1-CG 4.37Å; F486-Y491 HydrophobicContact CZ-CD2 4.29Å; F486-Y491 PolarHBondContact O-N 2.81Å; L487-Y491 HydrophobicContact CD1-CD1 3.62Å; L487-Y491 HydrophobicContact CD1-CE1 4.49Å; L487-Y491 HydrophobicContact CD1-CG 4.14Å; L487-Y491 PolarHBondContact O-N 2.82Å; Y491-D493 VanDerWaalsContact C-N 3.32Å; Y491-D493 PolarHBondContact O-N 3.48Å; Y491-W494 HydrophobicContact CD2-CE3 4.11Å; Y491-W494 HydrophobicContact CD2-CZ3 4.4Å; Y491-W494 AromaticContact CE2-CE3 3.93Å; Y491-W494 HydrophobicContact CE2-CE3 3.93Å; Y491-W494 AromaticContact CE2-CZ3 3.82Å; Y491-W494 HydrophobicContact CE2-CZ3 3.82Å; Y491-W494 PolarHBondContact O-N 3.27Å; Y491-I495 HydrophobicContact CD1-CG2 4.23Å; Y491-I495 HydrophobicContact CE1-CB 4.11Å; Y491-I495 HydrophobicContact CE1-CG1 4.44Å; Y491-I495 HydrophobicContact CE1-CG2 4Å; Y491-I495 WeakPolarHBondContact O-CG2 3.42Å; Y491-I495 PolarHBondContact O-N 3.17Å; Y491-F839 HydrophobicContact CE1-CB 4.32Å; Y491-F839 AromaticContact CE1-CD1 3.88Å; Y491-F839 HydrophobicContact CE1-CD1 3.88Å; Y491-F839 VanDerWaalsContact OH-C 3.28Å; Y491-F839 WeakPolarHBondContact OH-CB 3.32Å; Y491-F839 PolarHBondContact OH-O 2.91Å
492C90.2Very high88.3Confident0 Ų071.4 Ų71.40%034%0.335CS..Hα-helixtrans-58.1-42.5-179.2-84.20000112.2L487 T496 K788L487-C492 VanDerWaalsContact O-CB 3.23Å; L487-C492 WeakPolarHBondContact O-CB 3.31Å; L487-C492 PolarHBondContact O-N 2.95Å; L487-C492 PolarHBondContact O-SG 3.29Å; C492-T496 WeakPolarHBondContact O-CB 3.49Å; C492-T496 WeakPolarHBondContact O-CG2 3.37Å; C492-T496 PolarHBondContact O-N 3.04Å; C492-T496 PolarHBondContact O-OG1 3.33Å; C492-K788 HydrophobicContact CB-CB 4.3Å; C492-K788 HydrophobicContact CB-CD 4.38Å; C492-K788 HydrophobicContact CB-CG 3.93Å
493D89.6Confident89Confident82 Ų8271.7 Ų71.744%0.43933%0.33SS..Hα-helixtrans-68.8-41.5176.2-74.6-17.9000111.8Y491 N497 K788Y491-D493 VanDerWaalsContact C-N 3.32Å; Y491-D493 PolarHBondContact O-N 3.48Å; D493-N497 PolarHBondContact O-N 2.77Å; D493-K788 WeakPolarHBondContact OD1-CE 3.29Å; D493-K788 IonicContact OD1-NZ 2.78Å; D493-K788 PolarHBondContact OD1-NZ 3Å
494W93.1Very high89.6Confident142 Ų14270.9 Ų70.954%0.53833%0.327SS..Hα-helixtrans-65.4-52.2178.3177.474.3000112.7Y490 Y491 T496 N497 V500Y490-W494 VanDerWaalsContact O-CB 3.25Å; Y490-W494 WeakPolarHBondContact O-CB 3.33Å; Y490-W494 PolarHBondContact O-N 3.21Å; Y491-W494 HydrophobicContact CD2-CE3 4.11Å; Y491-W494 HydrophobicContact CD2-CZ3 4.4Å; Y491-W494 AromaticContact CE2-CE3 3.93Å; Y491-W494 HydrophobicContact CE2-CE3 3.93Å; Y491-W494 AromaticContact CE2-CZ3 3.82Å; Y491-W494 HydrophobicContact CE2-CZ3 3.82Å; Y491-W494 PolarHBondContact O-N 3.27Å; W494-T496 VanDerWaalsContact C-N 3.26Å; W494-T496 PolarHBondContact O-N 3.03Å; W494-N497 WeakPolarHBondContact O-CB 3.41Å; W494-N497 PolarHBondContact O-N 3.24Å; W494-N497 VanDerWaalsContact O-N 3.11Å; W494-V500 HydrophobicContact CD2-CG2 4.49Å; W494-V500 HydrophobicContact CG-CG2 4.4Å; W494-V500 HydrophobicContact CZ2-CG1 4.19Å; W494-V500 VanDerWaalsContact O-CG2 3.3Å; W494-V500 WeakPolarHBondContact O-CG2 3.39Å
495I93.6Very high90.2Very high1 Ų173.3 Ų73.31%0.00534%0.341CS..Hα-helixtrans-67.6-28.3-174.2-165.759.5000112.8Y491 V500 V504 L791 A840 P843 V844Y491-I495 HydrophobicContact CD1-CG2 4.23Å; Y491-I495 HydrophobicContact CE1-CB 4.11Å; Y491-I495 HydrophobicContact CE1-CG1 4.44Å; Y491-I495 HydrophobicContact CE1-CG2 4Å; Y491-I495 WeakPolarHBondContact O-CG2 3.42Å; Y491-I495 PolarHBondContact O-N 3.17Å; I495-V500 HydrophobicContact CD1-CG1 4.36Å; I495-V504 HydrophobicContact CD1-CG2 4.08Å; I495-L791 HydrophobicContact CG2-CD1 4.02Å; I495-A840 HydrophobicContact CD1-CB 4.29Å; I495-P843 HydrophobicContact CG1-CB 4.31Å; I495-V844 HydrophobicContact CD1-CG2 4.14Å; I495-V844 HydrophobicContact CG1-CG2 4.28Å
496T88Confident90.9Very high9 Ų975.4 Ų75.46%0.05535%0.349CS..Hα-helixtrans-88.6-6.317861.20000113.7C492 W494 T498 K501 T784 V787 K788C492-T496 WeakPolarHBondContact O-CB 3.49Å; C492-T496 WeakPolarHBondContact O-CG2 3.37Å; C492-T496 PolarHBondContact O-N 3.04Å; C492-T496 PolarHBondContact O-OG1 3.33Å; W494-T496 VanDerWaalsContact C-N 3.26Å; W494-T496 PolarHBondContact O-N 3.03Å; T496-T498 PolarHBondContact O-N 3.14Å; T496-K501 WeakPolarHBondContact O-CE 3.38Å; T496-T784 HydrophobicContact CG2-CG2 4.1Å; T496-V787 HydrophobicContact CG2-CB 4.43Å; T496-V787 HydrophobicContact CG2-CG1 3.97Å; T496-K788 HydrophobicContact CG2-CG 4.04Å; T496-K788 WeakPolarHBondContact OG1-CE 3.47Å
497N90.8Very high91.3Very high68 Ų6874.8 Ų74.836%0.36435%0.346SS..SBendtrans-63.5133.2178.8-170-24.9000110.9D493 W494 Y499 V500 K501D493-N497 PolarHBondContact O-N 2.77Å; W494-N497 WeakPolarHBondContact O-CB 3.41Å; W494-N497 PolarHBondContact O-N 3.24Å; W494-N497 VanDerWaalsContact O-N 3.11Å; N497-Y499 PolarHBondContact O-N 3.47Å; N497-Y499 VanDerWaalsContact O-N 3.15Å; N497-Y499 VanDerWaalsContact OD1-CD2 3.25Å; N497-Y499 WeakPolarHBondContact OD1-CD2 3.31Å; N497-Y499 PolarHBondContact OD1-N 3.39Å; N497-V500 HydrophobicContact CB-CG2 4.15Å; N497-V500 PolarHBondContact O-N 2.97Å; N497-K501 PolarHBondContact O-N 3.22Å
498T88.4Confident91.7Very high103 Ų10377.3 Ų77.363%0.63236%0.355SS*.THydrogen-bonded Turntrans-52.1-36.4179.5-53.30000112.9T496 V500 P502T496-T498 PolarHBondContact O-N 3.14Å; T498-V500 VanDerWaalsContact C-N 3.34Å; T498-V500 PolarHBondContact O-N 3.34Å; T498-P502 WeakPolarHBondContact O-CD 3.21Å
499Y92.4Very high92.4Very high186 Ų18678.1 Ų78.173%0.72936%0.363SS*.THydrogen-bonded Turntrans-73.4-23-179.5-59.1-70000113.9N497 F503N497-Y499 PolarHBondContact O-N 3.47Å; N497-Y499 VanDerWaalsContact O-N 3.15Å; N497-Y499 VanDerWaalsContact OD1-CD2 3.25Å; N497-Y499 WeakPolarHBondContact OD1-CD2 3.31Å; N497-Y499 PolarHBondContact OD1-N 3.39Å; Y499-F503 VanDerWaalsContact O-CD2 3.22Å; Y499-F503 WeakPolarHBondContact O-CD2 3.45Å; Y499-F503 WeakPolarHBondContact O-CE2 3.49Å
500V93.6Very high93.1Very high16 Ų1673.4 Ų73.410%0.09735%0.35CS..THydrogen-bonded Turntrans-82.9-28.2-178.81770000111.3W494 I495 N497 T498 F503 V504W494-V500 HydrophobicContact CD2-CG2 4.49Å; W494-V500 HydrophobicContact CG-CG2 4.4Å; W494-V500 HydrophobicContact CZ2-CG1 4.19Å; W494-V500 VanDerWaalsContact O-CG2 3.3Å; W494-V500 WeakPolarHBondContact O-CG2 3.39Å; I495-V500 HydrophobicContact CD1-CG1 4.36Å; N497-V500 HydrophobicContact CB-CG2 4.15Å; N497-V500 PolarHBondContact O-N 2.97Å; T498-V500 VanDerWaalsContact C-N 3.34Å; T498-V500 PolarHBondContact O-N 3.34Å; V500-F503 WeakPolarHBondContact O-CB 3.34Å; V500-F503 PolarHBondContact O-N 2.87Å; V500-F503 VanDerWaalsContact O-N 3.15Å; V500-V504 HydrophobicContact CG1-CG2 4.05Å; V500-V504 PolarHBondContact O-N 3.45Å; V500-V504 VanDerWaalsContact O-N 3.16Å
501K92.4Very high93.6Very high28 Ų2866.9 Ų66.912%0.12233%0.325CS..Hα-helixtrans-58.1-45.2-174.8-52.6-176.6-176.4-1740114.4T496 N497 F503 V504 V505 V844 T847 F848T496-K501 WeakPolarHBondContact O-CE 3.38Å; N497-K501 PolarHBondContact O-N 3.22Å; K501-F503 VanDerWaalsContact C-N 3.28Å; K501-F503 PolarHBondContact O-N 3.31Å; K501-V504 PolarHBondContact O-N 3.28Å; K501-V505 WeakPolarHBondContact O-CG2 3.42Å; K501-V505 PolarHBondContact O-N 3.13Å; K501-V844 HydrophobicContact CB-CG1 3.93Å; K501-V844 HydrophobicContact CG-CG1 4.14Å; K501-T847 VanDerWaalsContact CE-OG1 3.25Å; K501-T847 WeakPolarHBondContact CE-OG1 3.32Å; K501-T847 PolarHBondContact NZ-OG1 3.17Å; K501-F848 HydrophobicContact CB-CE1 4.3Å; K501-F848 HydrophobicContact CB-CE2 4.43Å; K501-F848 HydrophobicContact CB-CZ 3.67Å; K501-F848 HydrophobicContact CD-CE1 3.92Å; K501-F848 HydrophobicContact CD-CZ 3.99Å; K501-F848 HydrophobicContact CG-CZ 4.41Å
502P93.7Very high93.8Very high82 Ų8268 Ų6853%0.53233%0.333SS..Hα-helixtrans-59.2-37.8177.4-24.535.2000112.9T498 V505 L506T498-P502 WeakPolarHBondContact O-CD 3.21Å; P502-V505 PolarHBondContact O-N 3.42Å; P502-L506 WeakPolarHBondContact O-CB 3.46Å; P502-L506 PolarHBondContact O-N 3.45Å
503F95.1Very high94.2Very high145 Ų14571.6 Ų71.664%0.63636%0.358SS*.Hα-helixtrans-66.9-38.4176.8-64.6-78.5000112.2Y499 V500 K501 L506 F507Y499-F503 VanDerWaalsContact O-CD2 3.22Å; Y499-F503 WeakPolarHBondContact O-CD2 3.45Å; Y499-F503 WeakPolarHBondContact O-CE2 3.49Å; V500-F503 WeakPolarHBondContact O-CB 3.34Å; V500-F503 PolarHBondContact O-N 2.87Å; V500-F503 VanDerWaalsContact O-N 3.15Å; K501-F503 VanDerWaalsContact C-N 3.28Å; K501-F503 PolarHBondContact O-N 3.31Å; F503-L506 PolarHBondContact O-N 3.05Å; F503-F507 WeakPolarHBondContact O-CB 3.47Å; F503-F507 PolarHBondContact O-N 3.5Å
504V95.8Very high94.6Very high14 Ų1472.4 Ų72.49%0.08536%0.358CS..Hα-helixtrans-68-39.1176176.50000111.4I495 V500 K501 F507 Y508 A840 V844I495-V504 HydrophobicContact CD1-CG2 4.08Å; V500-V504 HydrophobicContact CG1-CG2 4.05Å; V500-V504 PolarHBondContact O-N 3.45Å; V500-V504 VanDerWaalsContact O-N 3.16Å; K501-V504 PolarHBondContact O-N 3.28Å; V504-F507 PolarHBondContact O-N 3.11Å; V504-Y508 PolarHBondContact O-N 3.43Å; V504-A840 HydrophobicContact CG1-CB 4.43Å; V504-V844 HydrophobicContact CB-CB 4.32Å; V504-V844 HydrophobicContact CB-CG1 4.24Å; V504-V844 HydrophobicContact CB-CG2 3.93Å; V504-V844 HydrophobicContact CG1-CB 3.89Å; V504-V844 HydrophobicContact CG1-CG1 4.17Å; V504-V844 HydrophobicContact CG1-CG2 3.8Å; V504-V844 HydrophobicContact CG2-CG2 3.96Å
505V94.3Very high94.8Very high59 Ų5965.7 Ų65.736%0.35833%0.332SS..Hα-helixtrans-63.2-46.1173.6173.90000110.7K501 P502 F507 Y508 L509 F848K501-V505 WeakPolarHBondContact O-CG2 3.42Å; K501-V505 PolarHBondContact O-N 3.13Å; P502-V505 PolarHBondContact O-N 3.42Å; V505-F507 VanDerWaalsContact C-N 3.35Å; V505-F507 PolarHBondContact O-N 3.43Å; V505-Y508 PolarHBondContact O-N 2.82Å; V505-L509 HydrophobicContact CG1-CD1 4.39Å; V505-L509 WeakPolarHBondContact O-CG 3.5Å; V505-L509 PolarHBondContact O-N 3.26Å; V505-F848 HydrophobicContact CG2-CE2 3.71Å; V505-F848 HydrophobicContact CG2-CZ 4.04Å
506L96.1Very high94.9Very high97 Ų9769.5 Ų69.551%0.50835%0.352SS..Hα-helixtrans-59.9-44.6175.6-179.963.1000111.7P502 F503 Y508 L509 I510P502-L506 WeakPolarHBondContact O-CB 3.46Å; P502-L506 PolarHBondContact O-N 3.45Å; F503-L506 PolarHBondContact O-N 3.05Å; L506-Y508 VanDerWaalsContact C-N 3.31Å; L506-Y508 PolarHBondContact O-N 3.05Å; L506-L509 PolarHBondContact O-N 2.99Å; L506-I510 HydrophobicContact CD1-CD1 4.41Å; L506-I510 HydrophobicContact CG-CD1 4.13Å; L506-I510 WeakPolarHBondContact O-CG1 3.46Å; L506-I510 PolarHBondContact O-N 3.25Å
507F95.9Very high95.4Very high87 Ų8773.1 Ų73.138%0.38237%0.369SS..Hα-helixtrans-58.5-42.2175.4176.6-100.9000111.9F503 V504 V505 I510 Y511 F836F503-F507 WeakPolarHBondContact O-CB 3.47Å; F503-F507 PolarHBondContact O-N 3.5Å; V504-F507 PolarHBondContact O-N 3.11Å; V505-F507 VanDerWaalsContact C-N 3.35Å; V505-F507 PolarHBondContact O-N 3.43Å; F507-I510 PolarHBondContact O-N 3.23Å; F507-Y511 WeakPolarHBondContact O-CB 3.49Å; F507-Y511 PolarHBondContact O-N 2.81Å; F507-F836 HydrophobicContact CE1-CB 4.39Å; F507-F836 AromaticContact CE1-CD1 3.86Å; F507-F836 HydrophobicContact CE1-CD1 3.86Å; F507-F836 HydrophobicContact CE1-CE1 4.45Å; F507-F836 HydrophobicContact CE1-CG 4.17Å; F507-F836 AromaticContact CZ-CD1 3.96Å; F507-F836 HydrophobicContact CZ-CD1 3.96Å; F507-F836 HydrophobicContact CZ-CE1 4.17Å; F507-F836 HydrophobicContact CZ-CG 4.25Å
508Y97Very high95.6Very high58 Ų5869.9 Ų69.923%0.22735%0.352CS..Hα-helixtrans-66.3-38.8176.6-174.5-114.6000113V504 V505 L506 I510 Y511 I512 S733 H837 I841V504-Y508 PolarHBondContact O-N 3.43Å; V505-Y508 PolarHBondContact O-N 2.82Å; L506-Y508 VanDerWaalsContact C-N 3.31Å; L506-Y508 PolarHBondContact O-N 3.05Å; Y508-I510 VanDerWaalsContact C-N 3.35Å; Y508-Y511 AromaticContact CD2-CD1 3.84Å; Y508-Y511 HydrophobicContact CD2-CD1 3.84Å; Y508-Y511 HydrophobicContact CD2-CE1 4.43Å; Y508-Y511 AromaticContact CE2-CD1 3.88Å; Y508-Y511 HydrophobicContact CE2-CD1 3.88Å; Y508-Y511 HydrophobicContact CE2-CE1 4.05Å; Y508-Y511 WeakPolarHBondContact O-CB 3.34Å; Y508-Y511 PolarHBondContact O-N 3.17Å; Y508-I512 HydrophobicContact CD1-CD1 3.89Å; Y508-I512 HydrophobicContact CE1-CD1 3.25Å; Y508-I512 HydrophobicContact CE1-CG1 4.12Å; Y508-I512 HydrophobicContact CE2-CD1 4.16Å; Y508-I512 HydrophobicContact CE2-CG1 4.22Å; Y508-I512 VanDerWaalsContact CZ-CD1 3.42Å; Y508-I512 PolarHBondContact O-N 3.49Å; Y508-S733 WeakPolarHBondContact CE2-OG 3.31Å; Y508-S733 PolarHBondContact OH-OG 3.2Å; Y508-H837 AromaticContact CE2-NE2 3.99Å; Y508-I841 HydrophobicContact CD2-CD1 3.63Å; Y508-I841 HydrophobicContact CD2-CG1 3.97Å; Y508-I841 HydrophobicContact CD2-CG2 3.78Å; Y508-I841 HydrophobicContact CE2-CD1 4.14Å; Y508-I841 HydrophobicContact CE2-CG2 3.95Å; Y508-I841 HydrophobicContact CG-CG2 4.27Å
509L97.3Very high95.8Very high97 Ų9770.4 Ų70.451%0.50834%0.344SS..Hα-helixtrans-63.9-40.7174.6-68.7175.2000111.7V505 L506 S513V505-L509 HydrophobicContact CG1-CD1 4.39Å; V505-L509 WeakPolarHBondContact O-CG 3.5Å; V505-L509 PolarHBondContact O-N 3.26Å; L506-L509 PolarHBondContact O-N 2.99Å; L509-S513 WeakPolarHBondContact O-CB 3.48Å; L509-S513 PolarHBondContact O-N 3.43Å; L509-S513 PolarHBondContact O-OG 3.37Å
510I97.7Very high95.9Very high79 Ų7967.9 Ų67.941%0.40534%0.342SS..Hα-helixtrans-62.9-48.1173.8-68167.6000110.1L506 F507 Y508 I512 S513 F514L506-I510 HydrophobicContact CD1-CD1 4.41Å; L506-I510 HydrophobicContact CG-CD1 4.13Å; L506-I510 WeakPolarHBondContact O-CG1 3.46Å; L506-I510 PolarHBondContact O-N 3.25Å; F507-I510 PolarHBondContact O-N 3.23Å; Y508-I510 VanDerWaalsContact C-N 3.35Å; I510-I512 PolarHBondContact O-N 3.21Å; I510-S513 PolarHBondContact O-N 2.92Å; I510-S513 VanDerWaalsContact O-N 3.16Å; I510-F514 HydrophobicContact CG2-CD2 3.61Å; I510-F514 HydrophobicContact CG2-CE2 3.59Å; I510-F514 VanDerWaalsContact O-CD2 3.31Å; I510-F514 WeakPolarHBondContact O-CD2 3.35Å; I510-F514 PolarHBondContact O-N 3.13Å
511Y97.9Very high95.8Very high16 Ų1672.9 Ų72.96%0.06336%0.364CS..Hα-helixtrans-54.2-51.4176.2162.4-95000112F507 Y508 S513 F514 A515 S733 G737 F741 V833 H837F507-Y511 WeakPolarHBondContact O-CB 3.49Å; F507-Y511 PolarHBondContact O-N 2.81Å; Y508-Y511 AromaticContact CD2-CD1 3.84Å; Y508-Y511 HydrophobicContact CD2-CD1 3.84Å; Y508-Y511 HydrophobicContact CD2-CE1 4.43Å; Y508-Y511 AromaticContact CE2-CD1 3.88Å; Y508-Y511 HydrophobicContact CE2-CD1 3.88Å; Y508-Y511 HydrophobicContact CE2-CE1 4.05Å; Y508-Y511 WeakPolarHBondContact O-CB 3.34Å; Y508-Y511 PolarHBondContact O-N 3.17Å; Y511-S513 VanDerWaalsContact C-N 3.3Å; Y511-S513 PolarHBondContact O-N 2.88Å; Y511-F514 PolarHBondContact O-N 3.14Å; Y511-A515 VanDerWaalsContact O-CB 3.23Å; Y511-A515 WeakPolarHBondContact O-CB 3.23Å; Y511-A515 PolarHBondContact O-N 3.14Å; Y511-S733 PolarHBondContact OH-O 2.88Å; Y511-G737 VanDerWaalsContact OH-CA 3.24Å; Y511-G737 WeakPolarHBondContact OH-CA 3.02Å; Y511-F741 AromaticContact CD2-CE2 3.49Å; Y511-F741 HydrophobicContact CD2-CE2 3.49Å; Y511-F741 VanDerWaalsContact CD2-CE2 3.49Å; Y511-F741 HydrophobicContact CD2-CZ 4.05Å; Y511-F741 HydrophobicContact CE2-CD2 4.26Å; Y511-F741 AromaticContact CE2-CE2 3.55Å; Y511-F741 HydrophobicContact CE2-CE2 3.55Å; Y511-V833 HydrophobicContact CE2-CG1 3.75Å; Y511-V833 HydrophobicContact CE2-CG2 4.28Å; Y511-V833 VanDerWaalsContact OH-CG1 3.22Å; Y511-V833 WeakPolarHBondContact OH-CG1 3.16Å; Y511-H837 AromaticContact CE1-CE1 3.77Å; Y511-H837 AromaticContact CE1-NE2 4Å; Y511-H837 AromaticContact CZ-CE1 3.55Å; Y511-H837 PolarHBondContact OH-CE1 3.45Å
512I97.2Very high95.6Very high59 Ų5974 Ų7430%0.30337%0.373SS..Hα-helixtrans-61.2-40.3177.7-76.8-179.3000111.2Y508 I510 A515 L516Y508-I512 HydrophobicContact CD1-CD1 3.89Å; Y508-I512 HydrophobicContact CE1-CD1 3.25Å; Y508-I512 HydrophobicContact CE1-CG1 4.12Å; Y508-I512 HydrophobicContact CE2-CD1 4.16Å; Y508-I512 HydrophobicContact CE2-CG1 4.22Å; Y508-I512 VanDerWaalsContact CZ-CD1 3.42Å; Y508-I512 PolarHBondContact O-N 3.49Å; I510-I512 PolarHBondContact O-N 3.21Å; I512-A515 PolarHBondContact O-N 3.01Å; I512-L516 VanDerWaalsContact O-CB 3.31Å; I512-L516 WeakPolarHBondContact O-CB 3.35Å; I512-L516 PolarHBondContact O-N 3.3Å
513S98.1Very high95.1Very high76 Ų7672.5 Ų72.553%0.53137%0.365SS..Hα-helixtrans-64.6-45.1-177.9-58.90000111.7L509 I510 Y511 L516 M517L509-S513 WeakPolarHBondContact O-CB 3.48Å; L509-S513 PolarHBondContact O-N 3.43Å; L509-S513 PolarHBondContact O-OG 3.37Å; I510-S513 PolarHBondContact O-N 2.92Å; I510-S513 VanDerWaalsContact O-N 3.16Å; Y511-S513 VanDerWaalsContact C-N 3.3Å; Y511-S513 PolarHBondContact O-N 2.88Å; S513-L516 PolarHBondContact O-N 2.95Å; S513-M517 PolarHBondContact O-N 2.86Å
514F97.7Very high94.2Very high99 Ų9969.9 Ų69.943%0.43436%0.355SS..Hα-helixtrans-68.8-39.8174.8-79.4-70.8000112.4I510 Y511 L516 M517 G518 F741 L744I510-F514 HydrophobicContact CG2-CD2 3.61Å; I510-F514 HydrophobicContact CG2-CE2 3.59Å; I510-F514 VanDerWaalsContact O-CD2 3.31Å; I510-F514 WeakPolarHBondContact O-CD2 3.35Å; I510-F514 PolarHBondContact O-N 3.13Å; Y511-F514 PolarHBondContact O-N 3.14Å; F514-L516 VanDerWaalsContact C-N 3.33Å; F514-L516 PolarHBondContact O-N 3.43Å; F514-M517 HydrophobicContact CD1-CE 3.83Å; F514-M517 HydrophobicContact CE1-CE 4.23Å; F514-M517 PolarHBondContact O-N 2.93Å; F514-G518 PolarHBondContact O-N 3.48Å; F514-F741 HydrophobicContact CB-CE1 3.83Å; F514-F741 HydrophobicContact CB-CZ 3.84Å; F514-L744 HydrophobicContact CB-CD1 4.32Å; F514-L744 HydrophobicContact CD1-CD1 4.38Å
515A97.6Very high93.1Very high0 Ų069.3 Ų69.30%035%0.352CS..Hα-helixtrans-58.2-46.1174.600000111.4Y511 I512 G518 Y519 F736 G740 F741Y511-A515 VanDerWaalsContact O-CB 3.23Å; Y511-A515 WeakPolarHBondContact O-CB 3.23Å; Y511-A515 PolarHBondContact O-N 3.14Å; I512-A515 PolarHBondContact O-N 3.01Å; A515-G518 PolarHBondContact O-N 3.03Å; A515-Y519 VanDerWaalsContact O-CB 3.28Å; A515-Y519 WeakPolarHBondContact O-CB 3.29Å; A515-Y519 PolarHBondContact O-N 3.42Å; A515-F736 HydrophobicContact CB-CD1 3.73Å; A515-F736 HydrophobicContact CB-CE1 3.61Å; A515-G740 WeakPolarHBondContact O-CA 3.12Å; A515-F741 HydrophobicContact CB-CE2 4.49Å
516L97.1Very high92Very high82 Ų8267 Ų6743%0.42934%0.338SS..Hα-helixtrans-63.2-44.4176.5-179.863.9000111.9I512 S513 F514 G518 Y519 L520 F736I512-L516 VanDerWaalsContact O-CB 3.31Å; I512-L516 WeakPolarHBondContact O-CB 3.35Å; I512-L516 PolarHBondContact O-N 3.3Å; S513-L516 PolarHBondContact O-N 2.95Å; F514-L516 VanDerWaalsContact C-N 3.33Å; F514-L516 PolarHBondContact O-N 3.43Å; L516-G518 VanDerWaalsContact C-N 3.3Å; L516-G518 PolarHBondContact O-N 2.88Å; L516-Y519 PolarHBondContact O-N 3.12Å; L516-L520 HydrophobicContact CD1-CD1 4.24Å; L516-L520 HydrophobicContact CD1-CG 4.2Å; L516-L520 HydrophobicContact CG-CD1 4.2Å; L516-L520 VanDerWaalsContact O-CG 3.29Å; L516-L520 WeakPolarHBondContact O-CG 3.38Å; L516-L520 PolarHBondContact O-N 3.06Å; L516-F736 HydrophobicContact CB-CE1 4.26Å; L516-F736 HydrophobicContact CB-CZ 3.91Å; L516-F736 HydrophobicContact CD1-CZ 3.9Å
517M97.5Very high91.1Very high84 Ų8464.9 Ų64.941%0.41433%0.327SS..Hα-helixtrans-56.8-44.8175.9-175.6-178.379.400111.7S513 F514 Q521 L744S513-M517 PolarHBondContact O-N 2.86Å; F514-M517 HydrophobicContact CD1-CE 3.83Å; F514-M517 HydrophobicContact CE1-CE 4.23Å; F514-M517 PolarHBondContact O-N 2.93Å; M517-Q521 WeakPolarHBondContact O-CG 3.42Å; M517-L744 HydrophobicContact CE-CD1 3.93Å; M517-L744 HydrophobicContact CE-CD2 3.42Å; M517-L744 VanDerWaalsContact CE-CD2 3.42Å; M517-L744 HydrophobicContact CE-CG 4.33Å
518G95.6Very high90.4Very high0 Ų062.5 Ų62.50%032%0.318CS..Hα-helixtrans-69.6-40.9176.400000113.1F514 A515 L516 L520 Q521 V522 G740 T743F514-G518 PolarHBondContact O-N 3.48Å; A515-G518 PolarHBondContact O-N 3.03Å; L516-G518 VanDerWaalsContact C-N 3.3Å; L516-G518 PolarHBondContact O-N 2.88Å; G518-L520 VanDerWaalsContact C-N 3.28Å; G518-L520 PolarHBondContact O-N 3.32Å; G518-Q521 PolarHBondContact O-N 3.45Å; G518-V522 PolarHBondContact O-N 3.08Å; G518-G740 WeakPolarHBondContact CA-O 3.49Å; G518-T743 WeakPolarHBondContact O-CB 3.43Å; G518-T743 WeakPolarHBondContact O-CG2 3.45Å; G518-T743 PolarHBondContact O-OG1 3.42Å
519Y91.7Very high89.8Confident115 Ų11560.5 Ų60.545%0.45131%0.313SS..Hα-helixtrans-61.4-36.9-179.5-173.2-87.7000112.1A515 L516 Q521 V522 F736 I739A515-Y519 VanDerWaalsContact O-CB 3.28Å; A515-Y519 WeakPolarHBondContact O-CB 3.29Å; A515-Y519 PolarHBondContact O-N 3.42Å; L516-Y519 PolarHBondContact O-N 3.12Å; Y519-Q521 PolarHBondContact O-N 2.93Å; Y519-V522 VanDerWaalsContact O-CG2 3.24Å; Y519-V522 WeakPolarHBondContact O-CG2 3.24Å; Y519-V522 PolarHBondContact O-N 3.15Å; Y519-F736 AromaticContact CD1-CE2 3.95Å; Y519-F736 HydrophobicContact CD1-CE2 3.95Å; Y519-F736 AromaticContact CD2-CD2 3.7Å; Y519-F736 HydrophobicContact CD2-CD2 3.7Å; Y519-F736 AromaticContact CD2-CE2 3.7Å; Y519-F736 HydrophobicContact CD2-CE2 3.7Å; Y519-F736 HydrophobicContact CE2-CD2 4.12Å; Y519-F736 HydrophobicContact CE2-CE2 4.31Å; Y519-F736 HydrophobicContact CG-CD2 4.01Å; Y519-F736 AromaticContact CG-CE2 3.5Å; Y519-F736 HydrophobicContact CG-CE2 3.5Å; Y519-F736 HydrophobicContact CG-CZ 4.35Å; Y519-I739 HydrophobicContact CD2-CB 4.34Å; Y519-I739 HydrophobicContact CD2-CG2 3.74Å; Y519-I739 HydrophobicContact CE2-CG2 4.14Å
520L94.3Very high89.2Confident133 Ų13357.7 Ų57.770%0.69630%0.298SS*.THydrogen-bonded Turntrans-71.1-11.4176.2-66.2173.8000113.8L516 G518L516-L520 HydrophobicContact CD1-CD1 4.24Å; L516-L520 HydrophobicContact CD1-CG 4.2Å; L516-L520 HydrophobicContact CG-CD1 4.2Å; L516-L520 VanDerWaalsContact O-CG 3.29Å; L516-L520 WeakPolarHBondContact O-CG 3.38Å; L516-L520 PolarHBondContact O-N 3.06Å; G518-L520 VanDerWaalsContact C-N 3.28Å; G518-L520 PolarHBondContact O-N 3.32Å
521Q91.7Very high88.6Confident120 Ų12054.3 Ų54.356%0.56128%0.281SS*.THydrogen-bonded Turntrans-111.38.1-178.2-66.8178.6-5.100112.9M517 G518 Y519 S523 T743M517-Q521 WeakPolarHBondContact O-CG 3.42Å; G518-Q521 PolarHBondContact O-N 3.45Å; Y519-Q521 PolarHBondContact O-N 2.93Å; Q521-S523 PolarHBondContact O-N 2.99Å; Q521-S523 VanDerWaalsContact O-N 3.12Å; Q521-T743 VanDerWaalsContact C-CG2 3.48Å; Q521-T743 HydrophobicContact CB-CG2 3.79Å; Q521-T743 VanDerWaalsContact O-CG2 3.22Å; Q521-T743 WeakPolarHBondContact O-CG2 3.31Å
522V88.2Confident88.3Confident51 Ų5153.6 Ų53.631%0.30928%0.278SS..  trans-56.4120.3-175.9170.90000109.7G518 Y519 I739 T743 L749G518-V522 PolarHBondContact O-N 3.08Å; Y519-V522 VanDerWaalsContact O-CG2 3.24Å; Y519-V522 WeakPolarHBondContact O-CG2 3.24Å; Y519-V522 PolarHBondContact O-N 3.15Å; V522-I739 HydrophobicContact CG2-CG2 3.57Å; V522-T743 WeakPolarHBondContact CG2-OG1 3.36Å; V522-L749 HydrophobicContact CG1-CB 4.26Å; V522-L749 HydrophobicContact CG1-CD2 4.49Å
523S82.7Confident88Confident52 Ų5250.9 Ų50.936%0.36426%0.264SS..  trans-107.8149.3174.163.20000111Q521 L749Q521-S523 PolarHBondContact O-N 2.99Å; Q521-S523 VanDerWaalsContact O-N 3.12Å; S523-L749 PolarHBondContact O-N 3.04Å
524E77.8Confident87.5Confident90 Ų9050 Ų5042%0.42126%0.256SS..BIsolated β-bridgetrans-96.8123.4-177.4-62.3179.517300112.1S526 R658 A693E524-S526 PolarHBondContact O-N 3.18Å; E524-R658 PolarHBondContact O-NH2 3.4Å; E524-R658 VanDerWaalsContact O-NH2 3.07Å; E524-A693 VanDerWaalsContact CD-CB 3.45Å; E524-A693 VanDerWaalsContact OE1-CB 3.3Å; E524-A693 WeakPolarHBondContact OE1-CB 3.26Å; E524-A693 WeakPolarHBondContact OE2-CA 3.48Å; E524-A693 WeakPolarHBondContact OE2-CB 3.37Å
525G71.2Confident87.1Confident2 Ų248.7 Ų48.72%0.02126%0.263CS..  trans-91.894.7-177.900000111.9Y692 E748 L749 D750G525-Y692 WeakPolarHBondContact O-CE1 3.43Å; G525-Y692 PolarHBondContact O-OH 3.45Å; G525-E748 WeakPolarHBondContact CA-OE2 3.48Å; G525-L749 PolarHBondContact N-O 3.08Å; G525-D750 VanDerWaalsContact O-CB 3.31Å; G525-D750 WeakPolarHBondContact O-CB 3.39Å
526S71Confident86.7Confident10 Ų1048.9 Ų48.97%0.0726%0.264CS..  trans-102.3-0.2169.9102.10000113.2E524 L528 R658E524-S526 PolarHBondContact O-N 3.18Å; S526-L528 PolarHBondContact O-N 3.27Å; S526-R658 WeakPolarHBondContact OG-CD 3.16Å; S526-R658 PolarHBondContact OG-NE 3.36Å; S526-R658 PolarHBondContact OG-NH1 3.43Å
527D78Confident86.4Confident52 Ų5245.8 Ų45.828%0.27825%0.248SC..  trans-74.2121.8-179.2-168.1-2.3000110.6S529 N530D527-S529 PolarHBondContact O-N 2.93Å; D527-S529 VanDerWaalsContact O-N 3.15Å; D527-S529 WeakPolarHBondContact OD1-CB 3.47Å; D527-S529 PolarHBondContact OD1-N 2.97Å; D527-S529 PolarHBondContact OD1-OG 2.88Å; D527-S529 WeakPolarHBondContact OD2-CB 3.47Å; D527-S529 PolarHBondContact OD2-OG 3.48Å; D527-N530 WeakPolarHBondContact O-CB 3.46Å; D527-N530 PolarHBondContact O-N 3.4Å; D527-N530 VanDerWaalsContact O-N 3.08Å
528L82.1Confident86Confident37 Ų3742 Ų4219%0.19423%0.229CC..G310 helixtrans-67.3-9.8176.4-59.8169.3000111.7L56 L257 S526 N530 I531 Y688L56-L528 HydrophobicContact CD1-CD2 4.06Å; L257-L528 HydrophobicContact CD1-CB 4.08Å; L257-L528 HydrophobicContact CD2-CB 4.45Å; L257-L528 HydrophobicContact CD2-CD1 3.78Å; S526-L528 PolarHBondContact O-N 3.27Å; L528-N530 VanDerWaalsContact C-N 3.29Å; L528-I531 HydrophobicContact CB-CD1 4.31Å; L528-I531 HydrophobicContact CD2-CD1 3.88Å; L528-I531 WeakPolarHBondContact O-CG1 3.32Å; L528-Y688 HydrophobicContact CD1-CD1 4.03Å; L528-Y688 HydrophobicContact CD1-CD2 4.4Å; L528-Y688 HydrophobicContact CD1-CE1 3.83Å; L528-Y688 HydrophobicContact CD1-CE2 4.21Å; L528-Y688 HydrophobicContact CD1-CG 4.3Å; L528-Y688 HydrophobicContact CD2-CD1 4.11Å; L528-Y688 HydrophobicContact CD2-CE1 4.01Å; L528-Y688 HydrophobicContact CG-CD1 4.47Å; L528-Y688 HydrophobicContact CG-CE1 4.5Å
529S83.8Confident85.9Confident16 Ų1643.4 Ų43.411%0.11224%0.237CC..G310 helixtrans-69.3-24.2170.1800000113.2D527 I531 V532 N818D527-S529 PolarHBondContact O-N 2.93Å; D527-S529 VanDerWaalsContact O-N 3.15Å; D527-S529 WeakPolarHBondContact OD1-CB 3.47Å; D527-S529 PolarHBondContact OD1-N 2.97Å; D527-S529 PolarHBondContact OD1-OG 2.88Å; D527-S529 WeakPolarHBondContact OD2-CB 3.47Å; D527-S529 PolarHBondContact OD2-OG 3.48Å; S529-I531 VanDerWaalsContact C-N 3.31Å; S529-I531 PolarHBondContact O-N 2.94Å; S529-V532 WeakPolarHBondContact O-CG2 3.44Å; S529-N818 PolarHBondContact O-ND2 3.2Å
530N84.1Confident85.9Confident38 Ų3842.8 Ų42.820%0.20324%0.238CC..G310 helixtrans-77.2-14.1-178.5-71.5-18.9000113.7D527 L528 E748 N818 L819D527-N530 WeakPolarHBondContact O-CB 3.46Å; D527-N530 PolarHBondContact O-N 3.4Å; D527-N530 VanDerWaalsContact O-N 3.08Å; L528-N530 VanDerWaalsContact C-N 3.29Å; N530-E748 PolarHBondContact ND2-OE2 3.16Å; N530-N818 CarbonylContact O-C 3.44Å; N530-N818 WeakPolarHBondContact O-CB 3.45Å; N530-L819 PolarHBondContact O-N 3.32Å; N530-L819 VanDerWaalsContact O-N 3.09Å
531I86Confident85.8Confident9 Ų936.7 Ų36.75%0.04621%0.206CC..G310 helixtrans-102-7.5-177.158.2166.7000113.6V52 L56 F261 L528 S529 L819V52-I531 HydrophobicContact CG1-CD1 4.23Å; L56-I531 HydrophobicContact CD1-CD1 3.11Å; L56-I531 HydrophobicContact CD1-CG1 4.38Å; L56-I531 HydrophobicContact CD1-CG2 4.45Å; F261-I531 HydrophobicContact CD2-CB 4.16Å; F261-I531 HydrophobicContact CD2-CD1 3.97Å; F261-I531 HydrophobicContact CD2-CG1 4.2Å; F261-I531 WeakPolarHBondContact CD2-O 3.49Å; F261-I531 HydrophobicContact CE2-CB 4.14Å; F261-I531 HydrophobicContact CE2-CD1 4.26Å; L528-I531 HydrophobicContact CB-CD1 4.31Å; L528-I531 HydrophobicContact CD2-CD1 3.88Å; L528-I531 WeakPolarHBondContact O-CG1 3.32Å; S529-I531 VanDerWaalsContact C-N 3.31Å; S529-I531 PolarHBondContact O-N 2.94Å; I531-L819 WeakPolarHBondContact O-CB 3.47Å; I531-L819 WeakPolarHBondContact O-CD1 3.48Å
532V91.4Very high85.7Confident0 Ų032.2 Ų32.20%019%0.186CC..SBendtrans-103.3170.6-175.2-61.50000112.4L257 D260 F261 S529 I539 S817 N818L257-V532 HydrophobicContact CD1-CG1 3.89Å; D260-V532 HydrophobicContact CB-CB 4.13Å; D260-V532 HydrophobicContact CB-CG1 4.04Å; F261-V532 HydrophobicContact CB-CG1 4.29Å; S529-V532 WeakPolarHBondContact O-CG2 3.44Å; V532-I539 HydrophobicContact CG2-CD1 3.9Å; V532-I539 HydrophobicContact CG2-CG1 3.82Å; V532-S817 PolarHBondContact O-OG 3.37Å; V532-N818 PolarHBondContact O-N 2.69Å; V532-N818 VanDerWaalsContact O-N 3.1Å
533A90.8Very high85.9Confident2 Ų233.5 Ų33.52%0.01720%0.195CC..BIsolated β-bridgetrans-65.4146.9172.200000111.6T264 A535 T536 I539 P816T264-A533 PolarHBondContact OG1-N 3.26Å; A533-A535 PolarHBondContact O-N 3.45Å; A533-T536 HydrophobicContact CB-CG2 3.59Å; A533-T536 WeakPolarHBondContact O-CB 3.23Å; A533-T536 WeakPolarHBondContact O-CG2 3.35Å; A533-T536 PolarHBondContact O-OG1 2.88Å; A533-I539 WeakPolarHBondContact O-CD1 3.05Å; A533-P816 WeakPolarHBondContact CA-O 3.36Å
534T88.4Confident86.3Confident57 Ų5731.2 Ų31.235%0.3518%0.179SC..SBendtrans-70.2-34.3-171.453.90000113.6T536 I539 P816 N818T534-T536 PolarHBondContact O-N 3.37Å; T534-I539 WeakPolarHBondContact O-CD1 3.25Å; T534-P816 PolarHBondContact N-O 3.37Å; T534-P816 WeakPolarHBondContact OG1-CB 3.42Å; T534-P816 PolarHBondContact OG1-O 3.35Å; T534-N818 WeakPolarHBondContact CG2-OD1 3.49Å
535A87.7Confident86.9Confident72 Ų7230.1 Ų30.160%0.59517%0.174SC*.SBendtrans-97.973.8176.300000110.5K263 A533K263-A535 PolarHBondContact NZ-O 2.85Å; A533-A535 PolarHBondContact O-N 3.45Å
536T90.6Very high87.6Confident4 Ų435.2 Ų35.23%0.02520%0.197CC..SBendtrans-134.8156.3-174.254.40000113.4D260 K263 A533 T534 T538 I539 E540D260-T536 HydrophobicContact CB-CG2 3.8Å; D260-T536 WeakPolarHBondContact OD1-CB 3.25Å; D260-T536 VanDerWaalsContact OD1-CG2 3.29Å; D260-T536 WeakPolarHBondContact OD1-CG2 3.42Å; D260-T536 WeakPolarHBondContact OD2-CB 3.3Å; K263-T536 HydrophobicContact CD-CG2 4.14Å; A533-T536 HydrophobicContact CB-CG2 3.59Å; A533-T536 WeakPolarHBondContact O-CB 3.23Å; A533-T536 WeakPolarHBondContact O-CG2 3.35Å; A533-T536 PolarHBondContact O-OG1 2.88Å; T534-T536 PolarHBondContact O-N 3.37Å; T536-T538 VanDerWaalsContact C-N 3.27Å; T536-T538 PolarHBondContact O-N 3.29Å; T536-I539 PolarHBondContact O-N 2.98Å; T536-I539 WeakPolarHBondContact OG1-CG1 3.03Å; T536-E540 PolarHBondContact O-N 3.4Å
537Q89Confident88.5Confident18 Ų1841 Ų418%0.08422%0.221CC..Hα-helixtrans-63.9-37.3179-178165.7-60.500111.2C234 P251 S256 D260 E540 Y541C234-Q537 PolarHBondContact SG-NE2 2.76Å; P251-Q537 WeakPolarHBondContact O-CG 3.26Å; P251-Q537 PolarHBondContact O-NE2 3.32Å; P251-Q537 VanDerWaalsContact O-NE2 3.16Å; S256-Q537 PolarHBondContact OG-NE2 2.97Å; D260-Q537 PolarHBondContact OD2-N 2.96Å; Q537-E540 PolarHBondContact O-N 3.16Å; Q537-Y541 VanDerWaalsContact O-CB 3.27Å; Q537-Y541 WeakPolarHBondContact O-CB 3.46Å; Q537-Y541 PolarHBondContact O-N 3.29Å
538T90.8Very high89.1Confident3 Ų339.3 Ų39.32%0.01821%0.211CC..Hα-helixtrans-57.5-51.1176-60.80000111.4Y252 L257 D260 T536 Y541 T542Y252-T538 HydrophobicContact CE2-CG2 4.15Å; L257-T538 HydrophobicContact CD1-CG2 4.02Å; D260-T538 VanDerWaalsContact OD2-CB 3.22Å; D260-T538 WeakPolarHBondContact OD2-CB 3.14Å; D260-T538 PolarHBondContact OD2-N 3.1Å; D260-T538 PolarHBondContact OD2-OG1 3.37Å; T536-T538 VanDerWaalsContact C-N 3.27Å; T536-T538 PolarHBondContact O-N 3.29Å; T538-Y541 PolarHBondContact O-N 3.18Å; T538-T542 HydrophobicContact CG2-CG2 4.34Å; T538-T542 VanDerWaalsContact O-CG2 3.31Å; T538-T542 WeakPolarHBondContact O-CG2 3.44Å; T538-T542 PolarHBondContact O-N 3.34Å; T538-T542 PolarHBondContact O-OG1 3.45Å; T538-T542 VanDerWaalsContact O-OG1 3.06Å
539I92.3Very high89.4Confident30 Ų3038.2 Ų38.215%0.15421%0.205CC..Hα-helixtrans-65.1-44.4-179-67.4175.8000111.6V532 A533 T534 T536 Y541 T542 T543V532-I539 HydrophobicContact CG2-CD1 3.9Å; V532-I539 HydrophobicContact CG2-CG1 3.82Å; A533-I539 WeakPolarHBondContact O-CD1 3.05Å; T534-I539 WeakPolarHBondContact O-CD1 3.25Å; T536-I539 PolarHBondContact O-N 2.98Å; T536-I539 WeakPolarHBondContact OG1-CG1 3.03Å; I539-Y541 VanDerWaalsContact C-N 3.31Å; I539-Y541 PolarHBondContact O-N 3.23Å; I539-T542 PolarHBondContact O-N 3.4Å; I539-T542 PolarHBondContact O-OG1 3.31Å; I539-T543 VanDerWaalsContact O-CB 3.26Å; I539-T543 WeakPolarHBondContact O-CB 3.38Å; I539-T543 PolarHBondContact O-N 2.67Å; I539-T543 PolarHBondContact O-OG1 3.34Å
540E92.8Very high89.4Confident103 Ų10338.4 Ų38.448%0.48121%0.206SC..Hα-helixtrans-62.1-41.3179.3-69-174.416900111.9Y250 T536 Q537 A544Y250-E540 HydrophobicContact CD1-CB 4.04Å; Y250-E540 HydrophobicContact CE1-CB 4.47Å; T536-E540 PolarHBondContact O-N 3.4Å; Q537-E540 PolarHBondContact O-N 3.16Å; E540-A544 WeakPolarHBondContact O-CB 3.45Å; E540-A544 PolarHBondContact O-N 3Å; E540-A544 VanDerWaalsContact O-N 3.11Å
541Y92.4Very high89.4Confident4 Ų439.5 Ų39.52%0.01621%0.212CC..Hα-helixtrans-68.5-48.6177.2178-90.5000112.2R95 I97 Q210 Y252 Q537 T538 I539 T543 A544 Q545R95-Y541 HydrophobicContact CB-CE2 4.05Å; R95-Y541 WeakPolarHBondContact CD-OH 3.17Å; I97-Y541 HydrophobicContact CD1-CD2 3.89Å; I97-Y541 HydrophobicContact CD1-CE2 3.63Å; I97-Y541 HydrophobicContact CG1-CD2 4.24Å; I97-Y541 HydrophobicContact CG1-CE2 3.77Å; Q210-Y541 PolarHBondContact OE1-OH 2.97Å; Y252-Y541 VanDerWaalsContact CB-CG 3.42Å; Y252-Y541 HydrophobicContact CD1-CD1 4.19Å; Y252-Y541 HydrophobicContact CD1-CE1 4.12Å; Y252-Y541 AromaticContact CD2-CD1 3.93Å; Y252-Y541 HydrophobicContact CD2-CD1 3.93Å; Y252-Y541 AromaticContact CD2-CG 3.99Å; Y252-Y541 HydrophobicContact CD2-CG 3.99Å; Y252-Y541 AromaticContact CG-CD1 3.72Å; Y252-Y541 HydrophobicContact CG-CD1 3.72Å; Y252-Y541 HydrophobicContact CG-CD2 4.14Å; Y252-Y541 HydrophobicContact CG-CE1 4.07Å; Y252-Y541 HydrophobicContact CG-CE2 4.41Å; Y252-Y541 AromaticContact CG-CG 3.77Å; Y252-Y541 HydrophobicContact CG-CG 3.77Å; Q537-Y541 VanDerWaalsContact O-CB 3.27Å; Q537-Y541 WeakPolarHBondContact O-CB 3.46Å; Q537-Y541 PolarHBondContact O-N 3.29Å; T538-Y541 PolarHBondContact O-N 3.18Å; I539-Y541 VanDerWaalsContact C-N 3.31Å; I539-Y541 PolarHBondContact O-N 3.23Å; Y541-T543 VanDerWaalsContact C-N 3.33Å; Y541-T543 PolarHBondContact O-N 2.9Å; Y541-A544 PolarHBondContact O-N 2.64Å; Y541-Q545 HydrophobicContact CE1-CB 4.38Å; Y541-Q545 WeakPolarHBondContact O-CB 3.45Å; Y541-Q545 PolarHBondContact O-N 2.62Å
542T89.1Confident89.4Confident26 Ų2640 Ų4016%0.1621%0.213CC..Hα-helixtrans-63.8-39.7-179.255.90000111.5T538 I539 A544 Q545 Q546T538-T542 HydrophobicContact CG2-CG2 4.34Å; T538-T542 VanDerWaalsContact O-CG2 3.31Å; T538-T542 WeakPolarHBondContact O-CG2 3.44Å; T538-T542 PolarHBondContact O-N 3.34Å; T538-T542 PolarHBondContact O-OG1 3.45Å; T538-T542 VanDerWaalsContact O-OG1 3.06Å; I539-T542 PolarHBondContact O-N 3.4Å; I539-T542 PolarHBondContact O-OG1 3.31Å; T542-A544 PolarHBondContact O-N 3.41Å; T542-Q545 PolarHBondContact O-N 3.48Å; T542-Q546 WeakPolarHBondContact O-CB 3.42Å; T542-Q546 WeakPolarHBondContact O-CG 3.42Å; T542-Q546 PolarHBondContact O-N 3.03Å
543T91.2Very high89.1Confident78 Ų7840.1 Ų40.148%0.47921%0.214SC..Hα-helixtrans-61-44.3174.1-55.10000111.3I539 Y541 K547I539-T543 VanDerWaalsContact O-CB 3.26Å; I539-T543 WeakPolarHBondContact O-CB 3.38Å; I539-T543 PolarHBondContact O-N 2.67Å; I539-T543 PolarHBondContact O-OG1 3.34Å; Y541-T543 VanDerWaalsContact C-N 3.33Å; Y541-T543 PolarHBondContact O-N 2.9Å; T543-K547 VanDerWaalsContact O-CB 3.25Å; T543-K547 WeakPolarHBondContact O-CB 3.26Å; T543-K547 PolarHBondContact O-N 3.12Å
544A91.9Very high88.7Confident4 Ų441.6 Ų41.63%0.03322%0.223CC..Hα-helixtrans-66.3-40.3176.300000111.6I97 Y250 E540 Y541 T542 K547 Y548I97-A544 HydrophobicContact CD1-CB 4.1Å; Y250-A544 HydrophobicContact CD1-CB 4.18Å; Y250-A544 HydrophobicContact CD2-CB 3.79Å; Y250-A544 HydrophobicContact CE1-CB 4.27Å; Y250-A544 HydrophobicContact CE2-CB 3.91Å; Y250-A544 HydrophobicContact CG-CB 3.91Å; E540-A544 WeakPolarHBondContact O-CB 3.45Å; E540-A544 PolarHBondContact O-N 3Å; E540-A544 VanDerWaalsContact O-N 3.11Å; Y541-A544 PolarHBondContact O-N 2.64Å; T542-A544 PolarHBondContact O-N 3.41Å; A544-K547 PolarHBondContact O-N 3.38Å; A544-Y548 HydrophobicContact CB-CD2 4.44Å; A544-Y548 WeakPolarHBondContact O-CD2 3.35Å; A544-Y548 PolarHBondContact O-N 3.15Å
545Q89.4Confident88.5Confident68 Ų6839.1 Ų39.132%0.31821%0.208SC..Hα-helixtrans-62.6-49.4178.6-169.51781700111.3I97 Y541 T542 K547 Y548 F549I97-Q545 HydrophobicContact CD1-CB 4.1Å; Y541-Q545 HydrophobicContact CE1-CB 4.38Å; Y541-Q545 WeakPolarHBondContact O-CB 3.45Å; Y541-Q545 PolarHBondContact O-N 2.62Å; T542-Q545 PolarHBondContact O-N 3.48Å; Q545-K547 VanDerWaalsContact C-N 3.3Å; Q545-K547 PolarHBondContact O-N 2.79Å; Q545-Y548 PolarHBondContact O-N 2.9Å; Q545-F549 HydrophobicContact CG-CB 4.44Å; Q545-F549 WeakPolarHBondContact O-CA 3.42Å; Q545-F549 WeakPolarHBondContact O-CB 3.28Å; Q545-F549 PolarHBondContact O-N 3.46Å
546Q87.5Confident88.5Confident109 Ų10935.7 Ų35.751%0.50918%0.18SC..Hα-helixtrans-61.5-37.8176.1-74175.5-12.400112T542 S550T542-Q546 WeakPolarHBondContact O-CB 3.42Å; T542-Q546 WeakPolarHBondContact O-CG 3.42Å; T542-Q546 PolarHBondContact O-N 3.03Å; Q546-S550 WeakPolarHBondContact O-CB 3.39Å; Q546-S550 PolarHBondContact O-OG 3.21Å
547K89.8Confident88.4Confident130 Ų13035.7 Ų35.757%0.56518%0.18SC*.Hα-helixtrans-70-40.8-179.5-178177.7178.2-172.80113.5T543 A544 Q545T543-K547 VanDerWaalsContact O-CB 3.25Å; T543-K547 WeakPolarHBondContact O-CB 3.26Å; T543-K547 PolarHBondContact O-N 3.12Å; A544-K547 PolarHBondContact O-N 3.38Å; Q545-K547 VanDerWaalsContact C-N 3.3Å; Q545-K547 PolarHBondContact O-N 2.79Å
548Y90.6Very high88.5Confident18 Ų1834.9 Ų34.97%0.07118%0.176CC..Hα-helixtrans-105.7-22.5-169.4-65.8-69.3000114.3T99 G193 G194 E207 A208 A544 Q545T99-Y548 HydrophobicContact CG2-CD2 4.09Å; T99-Y548 HydrophobicContact CG2-CE2 3.76Å; G193-Y548 CarbonylContact C-O 3.52Å; G193-Y548 WeakPolarHBondContact CA-O 3.21Å; G194-Y548 PolarHBondContact N-O 3.44Å; E207-Y548 HydrophobicContact CB-CD1 4.19Å; E207-Y548 HydrophobicContact CB-CE1 4Å; A208-Y548 HydrophobicContact CB-CD1 3.97Å; A208-Y548 HydrophobicContact CB-CD2 4.18Å; A208-Y548 HydrophobicContact CB-CG 3.71Å; A544-Y548 HydrophobicContact CB-CD2 4.44Å; A544-Y548 WeakPolarHBondContact O-CD2 3.35Å; A544-Y548 PolarHBondContact O-N 3.15Å; Q545-Y548 PolarHBondContact O-N 2.9Å
549F88.5Confident88.5Confident14 Ų1435 Ų356%0.06118%0.176CC..SBendtrans-124.825.7-169.7-59.8-88.2000113.5I97 H190 L192 G193 A208 Q210 Q545I97-F549 HydrophobicContact CD1-CD2 4.32Å; I97-F549 HydrophobicContact CD1-CE2 4.05Å; I97-F549 HydrophobicContact CG1-CE2 4.06Å; I97-F549 HydrophobicContact CG2-CE2 3.89Å; H190-F549 WeakPolarHBondContact O-CE1 2.78Å; L192-F549 VanDerWaalsContact C-CE1 3.42Å; G193-F549 VanDerWaalsContact CA-CE1 3.5Å; G193-F549 VanDerWaalsContact N-CE1 3.29Å; A208-F549 HydrophobicContact CB-CE2 4.01Å; A208-F549 HydrophobicContact CB-CZ 3.99Å; Q210-F549 HydrophobicContact CB-CE1 4.05Å; Q210-F549 HydrophobicContact CB-CE2 4.3Å; Q210-F549 HydrophobicContact CB-CZ 3.66Å; Q545-F549 HydrophobicContact CG-CB 4.44Å; Q545-F549 WeakPolarHBondContact O-CA 3.42Å; Q545-F549 WeakPolarHBondContact O-CB 3.28Å; Q545-F549 PolarHBondContact O-N 3.46Å
550S83.9Confident88.6Confident19 Ų1933.6 Ų33.613%0.13317%0.169CC..THydrogen-bonded Turntrans-89.12.8-17947.20000115.5Q546 Y552 T653 T656Q546-S550 WeakPolarHBondContact O-CB 3.39Å; Q546-S550 PolarHBondContact O-OG 3.21Å; S550-Y552 VanDerWaalsContact C-N 3.28Å; S550-Y552 PolarHBondContact O-N 2.95Å; S550-T653 PolarHBondContact O-OG1 3.36Å; S550-T656 WeakPolarHBondContact CB-OG1 3.23Å; S550-T656 WeakPolarHBondContact O-CG2 3.31Å; S550-T656 PolarHBondContact O-N 3.39Å
551N83.6Confident88.4Confident62 Ų6233 Ų3333%0.33216%0.163SC..THydrogen-bonded Turntrans-79.3-11.5-179.1-66.5-10.7000113.7T653N551-T653 CarbonylContact C-O 3.55Å; N551-T653 PolarHBondContact O-N 3.49Å; N551-T653 VanDerWaalsContact O-O 3.07Å; N551-T653 PolarHBondContact O-OG1 3.03Å
552Y85.3Confident88.2Confident20 Ų2035.2 Ų35.28%0.07817%0.174CC..BIsolated β-bridgetrans-136.8146.4-180-72.6-72.5000110.6Y175 P176 Y187 S550 V583 V650 A651 K652 T653Y175-Y552 AromaticContact CE1-CE2 3.52Å; Y175-Y552 HydrophobicContact CE1-CE2 3.52Å; Y175-Y552 HydrophobicContact CE2-CE2 4.44Å; Y175-Y552 AromaticContact CZ-CE2 3.48Å; Y175-Y552 VanDerWaalsContact CZ-CE2 3.48Å; Y175-Y552 WeakPolarHBondContact OH-CD2 3.34Å; Y175-Y552 WeakPolarHBondContact OH-CE2 3.25Å; P176-Y552 HydrophobicContact CB-CE1 4.44Å; P176-Y552 HydrophobicContact CB-CE2 3.82Å; P176-Y552 HydrophobicContact CG-CE1 4.29Å; P176-Y552 HydrophobicContact CG-CE2 4.42Å; P176-Y552 WeakPolarHBondContact CG-OH 3.25Å; Y187-Y552 WeakPolarHBondContact OH-CB 3.25Å; Y187-Y552 WeakPolarHBondContact OH-CD2 3.41Å; Y187-Y552 VanDerWaalsContact OH-CG 3.29Å; S550-Y552 VanDerWaalsContact C-N 3.28Å; S550-Y552 PolarHBondContact O-N 2.95Å; Y552-V583 HydrophobicContact CE1-CG2 4.09Å; Y552-V650 HydrophobicContact CD1-CG1 3.88Å; Y552-V650 HydrophobicContact CG-CG1 4.11Å; Y552-A651 CarbonylContact C-O 3.45Å; Y552-A651 WeakPolarHBondContact CA-O 3.43Å; Y552-K652 HydrophobicContact CD1-CB 4.34Å; Y552-K652 HydrophobicContact CE1-CB 4.07Å; Y552-K652 HydrophobicContact CE1-CG 4.15Å; Y552-T653 WeakPolarHBondContact CA-OG1 3.23Å; Y552-T653 PolarHBondContact N-OG1 2.81Å; Y552-T653 VanDerWaalsContact N-OG1 3.17Å
553S85.5Confident88.3Confident2 Ų237 Ų371%0.01419%0.188CC..PPolyproline II helixtrans-60.4158.616874.40000110.3H190 V650 A651H190-S553 PolarHBondContact CE1-O 3.07Å; H190-S553 PolarHBondContact NE2-O 3.42Å; H190-S553 VanDerWaalsContact NE2-O 3.13Å; S553-V650 WeakPolarHBondContact O-CG1 3.46Å; S553-A651 PolarHBondContact N-O 3.49Å; S553-A651 PolarHBondContact OG-N 3.23Å
554P82.7Confident88.2Confident33 Ų3334 Ų3421%0.21417%0.168CC..PPolyproline II helixtrans-51.6146.3159.3-22.233.9000109.7I556 L661P554-I556 WeakPolarHBondContact O-CG1 3.49Å; P554-I556 PolarHBondContact O-N 3.3Å; P554-L661 HydrophobicContact CG-CD2 3.8Å
555V84.5Confident88.2Confident5 Ų538.4 Ų38.43%0.0319%0.188CC..PPolyproline II helixtrans-66.5127.5177.4-1760000110S85 Y187 H190 F648 V650 N683S85-V555 WeakPolarHBondContact OG-CB 3.43Å; S85-V555 WeakPolarHBondContact OG-CG1 3.48Å; Y187-V555 HydrophobicContact CE1-CG2 4.37Å; H190-V555 VanDerWaalsContact CD2-CG2 3.43Å; H190-V555 WeakPolarHBondContact CD2-CG2 3.22Å; H190-V555 WeakPolarHBondContact NE2-CG2 3.41Å; V555-F648 HydrophobicContact CG1-CB 3.62Å; V555-F648 HydrophobicContact CG1-CD1 4.05Å; V555-F648 HydrophobicContact CG1-CG 4.19Å; V555-V650 HydrophobicContact CB-CG2 4.13Å; V555-V650 HydrophobicContact CG1-CG2 4.01Å; V555-V650 HydrophobicContact CG2-CG2 3.8Å; V555-N683 PolarHBondContact O-ND2 2.82Å
556I86.9Confident88.4Confident0 Ų035.2 Ų35.20%017%0.173CC..EExtended strand (participates in β ladder)trans-100.1122.2-177.8-54.8177.1000107.5P554 F648 L649 L664 L668 V681 F686P554-I556 WeakPolarHBondContact O-CG1 3.49Å; P554-I556 PolarHBondContact O-N 3.3Å; I556-F648 WeakPolarHBondContact O-CA 3.37Å; I556-L649 HydrophobicContact CB-CB 4.5Å; I556-L649 PolarHBondContact N-O 3.41Å; I556-L649 PolarHBondContact O-N 2.87Å; I556-L664 HydrophobicContact CD1-CD2 3.75Å; I556-L664 HydrophobicContact CD1-CG 4.28Å; I556-L668 HydrophobicContact CD1-CD1 3.81Å; I556-L668 HydrophobicContact CG2-CD1 4.42Å; I556-V681 HydrophobicContact CG2-CB 3.81Å; I556-V681 HydrophobicContact CG2-CG1 4.22Å; I556-F686 HydrophobicContact CD1-CZ 4.02Å; I556-F686 HydrophobicContact CG1-CZ 3.95Å; I556-F686 HydrophobicContact CG2-CE2 4.17Å; I556-F686 HydrophobicContact CG2-CZ 4.34Å
557G88.6Confident88.5Confident3 Ų332.1 Ų32.13%0.03116%0.157CC..EExtended strand (participates in β ladder)trans-74.3126.5168.700000109.6Y559 V681 F682G557-Y559 VanDerWaalsContact CA-CE2 3.49Å; G557-Y559 WeakPolarHBondContact O-CD2 3.06Å; G557-Y559 VanDerWaalsContact O-CE2 3.26Å; G557-Y559 WeakPolarHBondContact O-CE2 3.24Å; G557-V681 CarbonylContact O-C 3.56Å; G557-V681 VanDerWaalsContact O-CA 3.27Å; G557-V681 WeakPolarHBondContact O-CA 3.4Å; G557-F682 PolarHBondContact N-O 3.41Å; G557-F682 PolarHBondContact O-N 3.05Å
558F91Very high88.7Confident1 Ų128.8 Ų28.80%0.00415%0.145CC..EExtended strand (participates in β ladder)trans-109.2111175.3-177.3-80.9000108.1I560 T579 R646 M647 L649 F679 V681F558-I560 HydrophobicContact CD1-CG1 4.17Å; F558-I560 HydrophobicContact CE1-CD1 3.91Å; F558-I560 HydrophobicContact CE1-CG1 3.64Å; F558-T579 HydrophobicContact CE2-CG2 4.32Å; F558-T579 HydrophobicContact CZ-CG2 4.35Å; F558-R646 CarbonylContact O-C 3.56Å; F558-R646 VanDerWaalsContact O-CA 3.27Å; F558-R646 WeakPolarHBondContact O-CA 3.31Å; F558-M647 HydrophobicContact CB-CG 3.74Å; F558-M647 HydrophobicContact CD1-CE 3.84Å; F558-M647 HydrophobicContact CD1-CG 3.71Å; F558-M647 HydrophobicContact CD1-SD 3.91Å; F558-M647 HydrophobicContact CE1-CE 4.03Å; F558-M647 HydrophobicContact CE1-SD 4.37Å; F558-M647 HydrophobicContact CG-CG 4.03Å; F558-M647 PolarHBondContact N-O 2.99Å; F558-M647 PolarHBondContact O-N 2.87Å; F558-L649 HydrophobicContact CB-CD1 3.83Å; F558-L649 HydrophobicContact CB-CG 3.96Å; F558-L649 HydrophobicContact CD2-CD1 3.58Å; F558-L649 HydrophobicContact CE2-CD1 4.43Å; F558-L649 HydrophobicContact CG-CD1 3.99Å; F558-F679 HydrophobicContact CD1-CB 4.46Å; F558-F679 AromaticContact CD2-CD2 3.8Å; F558-F679 HydrophobicContact CD2-CD2 3.8Å; F558-F679 HydrophobicContact CD2-CE2 4.09Å; F558-F679 HydrophobicContact CD2-CG 4.3Å; F558-F679 HydrophobicContact CE1-CB 3.86Å; F558-F679 HydrophobicContact CE1-CD1 4.39Å; F558-F679 HydrophobicContact CE1-CD2 4.46Å; F558-F679 HydrophobicContact CE1-CG 4.01Å; F558-F679 HydrophobicContact CE2-CB 4.18Å; F558-F679 AromaticContact CE2-CD1 3.85Å; F558-F679 HydrophobicContact CE2-CD1 3.85Å; F558-F679 AromaticContact CE2-CD2 3.26Å; F558-F679 HydrophobicContact CE2-CD2 3.26Å; F558-F679 AromaticContact CE2-CE1 3.97Å; F558-F679 HydrophobicContact CE2-CE1 3.97Å; F558-F679 AromaticContact CE2-CE2 3.41Å; F558-F679 HydrophobicContact CE2-CE2 3.41Å; F558-F679 VanDerWaalsContact CE2-CE2 3.41Å; F558-F679 AromaticContact CE2-CG 3.5Å; F558-F679 HydrophobicContact CE2-CG 3.5Å; F558-F679 VanDerWaalsContact CE2-CG 3.5Å; F558-F679 AromaticContact CE2-CZ 3.77Å; F558-F679 HydrophobicContact CE2-CZ 3.77Å; F558-F679 HydrophobicContact CZ-CB 3.71Å; F558-F679 AromaticContact CZ-CD1 3.48Å; F558-F679 HydrophobicContact CZ-CD1 3.48Å; F558-F679 VanDerWaalsContact CZ-CD1 3.48Å; F558-F679 AromaticContact CZ-CD2 3.65Å; F558-F679 HydrophobicContact CZ-CD2 3.65Å; F558-F679 AromaticContact CZ-CE1 3.93Å; F558-F679 HydrophobicContact CZ-CE1 3.93Å; F558-F679 HydrophobicContact CZ-CE2 4.09Å; F558-F679 AromaticContact CZ-CG 3.32Å; F558-F679 HydrophobicContact CZ-CG 3.32Å; F558-F679 HydrophobicContact CZ-CZ 4.21Å; F558-V681 HydrophobicContact CD2-CG1 3.91Å
559Y91.1Very high88.7Confident5 Ų530.9 Ų30.92%0.0216%0.16CC..EExtended strand (participates in β ladder)trans-115.9116-170.8-51.2-99.3000109.8V70 F74 G557 R646 F679 I680 F682V70-Y559 HydrophobicContact CG1-CD1 4.39Å; V70-Y559 HydrophobicContact CG1-CE1 3.67Å; V70-Y559 HydrophobicContact CG1-CE2 3.98Å; V70-Y559 VanDerWaalsContact CG1-CZ 3.44Å; V70-Y559 WeakPolarHBondContact CG1-OH 3.35Å; V70-Y559 HydrophobicContact CG2-CD1 4.26Å; V70-Y559 HydrophobicContact CG2-CD2 3.67Å; V70-Y559 HydrophobicContact CG2-CE1 4.22Å; V70-Y559 HydrophobicContact CG2-CE2 3.63Å; V70-Y559 HydrophobicContact CG2-CG 4Å; F74-Y559 AromaticContact CD2-CD1 3.61Å; F74-Y559 HydrophobicContact CD2-CD1 3.61Å; F74-Y559 AromaticContact CD2-CE1 3.95Å; F74-Y559 HydrophobicContact CD2-CE1 3.95Å; F74-Y559 AromaticContact CE2-CD1 3.79Å; F74-Y559 HydrophobicContact CE2-CD1 3.79Å; G557-Y559 VanDerWaalsContact CA-CE2 3.49Å; G557-Y559 WeakPolarHBondContact O-CD2 3.06Å; G557-Y559 VanDerWaalsContact O-CE2 3.26Å; G557-Y559 WeakPolarHBondContact O-CE2 3.24Å; Y559-R646 HydrophobicContact CD1-CB 3.53Å; Y559-R646 HydrophobicContact CE1-CB 3.89Å; Y559-R646 HydrophobicContact CG-CB 4.29Å; Y559-F679 CarbonylContact O-C 3.51Å; Y559-F679 WeakPolarHBondContact O-CA 3.33Å; Y559-F679 WeakPolarHBondContact O-CB 3.43Å; Y559-I680 HydrophobicContact CD2-CG1 4.04Å; Y559-I680 HydrophobicContact CG-CG1 4.18Å; Y559-I680 PolarHBondContact N-O 3.41Å; Y559-I680 PolarHBondContact O-N 3.33Å; Y559-F682 HydrophobicContact CE2-CB 3.97Å
560I93.7Very high88.9Confident1 Ų132.9 Ų32.91%0.00518%0.176CC..EExtended strand (participates in β ladder)trans-90.1112170.1-61.5166.5000106.1F558 E562 I564 Y566 V575 A644 S645 M647 V677 F679F558-I560 HydrophobicContact CD1-CG1 4.17Å; F558-I560 HydrophobicContact CE1-CD1 3.91Å; F558-I560 HydrophobicContact CE1-CG1 3.64Å; I560-E562 HydrophobicContact CG2-CG 4.42Å; I560-I564 HydrophobicContact CD1-CD1 3.91Å; I560-I564 HydrophobicContact CG2-CD1 4.01Å; I560-I564 HydrophobicContact CG2-CG1 4.22Å; I560-I564 HydrophobicContact CG2-CG2 4.17Å; I560-Y566 HydrophobicContact CD1-CE1 4.36Å; I560-Y566 VanDerWaalsContact CD1-OH 3.24Å; I560-Y566 WeakPolarHBondContact CD1-OH 3.25Å; I560-V575 HydrophobicContact CD1-CG1 4.47Å; I560-V575 HydrophobicContact CD1-CG2 4.45Å; I560-A644 CarbonylContact O-C 3.59Å; I560-A644 WeakPolarHBondContact O-CA 3.26Å; I560-A644 WeakPolarHBondContact O-CB 3.15Å; I560-S645 PolarHBondContact N-O 3.45Å; I560-S645 PolarHBondContact O-N 3.5Å; I560-S645 VanDerWaalsContact O-O 3.13Å; I560-M647 HydrophobicContact CD1-CE 3.82Å; I560-V677 HydrophobicContact CD1-CG1 4.3Å; I560-V677 HydrophobicContact CG1-CG1 4.15Å; I560-V677 HydrophobicContact CG2-CG1 3.97Å; I560-F679 HydrophobicContact CG1-CB 4.24Å
561Y89.5Confident89.3Confident90 Ų9033 Ų3335%0.35318%0.176SC..  trans-104.213.3-173.462.7-88.8000112.9K678 I680Y561-K678 HydrophobicContact CE1-CB 4.04Å; Y561-K678 HydrophobicContact CE2-CB 4.37Å; Y561-I680 HydrophobicContact CD1-CG1 4.4Å; Y561-I680 HydrophobicContact CD1-CG2 4.02Å; Y561-I680 HydrophobicContact CE1-CG2 3.68Å
562E88.4Confident89.8Confident52 Ų5230.3 Ų30.324%0.24316%0.161CC..SBendtrans-124.5158.3174.674.4-178.5175.800111.5I560 I564 V643 V677 K678I560-E562 HydrophobicContact CG2-CG 4.42Å; E562-I564 HydrophobicContact CG-CG2 3.58Å; E562-I564 PolarHBondContact O-N 3.4Å; E562-I564 VanDerWaalsContact O-N 3.12Å; E562-V643 CarbonylContact C-O 3.6Å; E562-V677 WeakPolarHBondContact OE1-CA 3.43Å; E562-K678 HydrophobicContact CG-CB 4.34Å; E562-K678 PolarHBondContact OE1-N 2.98Å; E562-K678 WeakPolarHBondContact OE2-CD 3.36Å; E562-K678 WeakPolarHBondContact OE2-CG 3.48Å
563S90Very high90.1Very high64 Ų6435.5 Ų35.545%0.44819%0.186SC..  trans-78.396.5177174.60000110.6V642 V643S563-V642 VanDerWaalsContact CA-O 3.29Å; S563-V642 WeakPolarHBondContact CA-O 3.33Å; S563-V642 PolarHBondContact OG-O 2.9Å; S563-V643 PolarHBondContact N-O 3.2Å
564I90.9Very high90.4Very high13 Ų1337.3 Ų37.37%0.06720%0.195CC..  trans-97154.8175.767.4173.1000113.3I560 E562 Y566 V571 V575 V677I560-I564 HydrophobicContact CD1-CD1 3.91Å; I560-I564 HydrophobicContact CG2-CD1 4.01Å; I560-I564 HydrophobicContact CG2-CG1 4.22Å; I560-I564 HydrophobicContact CG2-CG2 4.17Å; E562-I564 HydrophobicContact CG-CG2 3.58Å; E562-I564 PolarHBondContact O-N 3.4Å; E562-I564 VanDerWaalsContact O-N 3.12Å; I564-Y566 VanDerWaalsContact C-N 3.35Å; I564-Y566 HydrophobicContact CD1-CD1 4.13Å; I564-Y566 HydrophobicContact CD1-CE1 3.58Å; I564-Y566 HydrophobicContact CD1-CE2 4.02Å; I564-Y566 VanDerWaalsContact CD1-CZ 3.49Å; I564-Y566 HydrophobicContact CG1-CD1 4.25Å; I564-Y566 HydrophobicContact CG1-CD2 3.8Å; I564-Y566 HydrophobicContact CG1-CE1 3.89Å; I564-Y566 HydrophobicContact CG1-CE2 3.38Å; I564-Y566 HydrophobicContact CG1-CG 4.21Å; I564-Y566 VanDerWaalsContact CG1-CZ 3.41Å; I564-Y566 WeakPolarHBondContact O-CD2 3.32Å; I564-Y566 PolarHBondContact O-N 3.48Å; I564-V571 HydrophobicContact CB-CG1 4.26Å; I564-V571 HydrophobicContact CD1-CG1 3.98Å; I564-V571 HydrophobicContact CG1-CG1 4.41Å; I564-V575 HydrophobicContact CD1-CG2 3.87Å; I564-V677 HydrophobicContact CD1-CG1 3.88Å; I564-V677 HydrophobicContact CD1-CG2 4.21Å; I564-V677 HydrophobicContact CG2-CG1 3.91Å; I564-V677 HydrophobicContact CG2-CG2 4.23Å
565E91.4Very high90.8Very high97 Ų9735.8 Ų35.845%0.45319%0.186SC..  trans-8273.2-179.3-57.6-170.3165.100111.9W567 N568 V571E565-W567 HydrophobicContact CB-CD2 4.33Å; E565-W567 HydrophobicContact CB-CH2 4.4Å; E565-W567 HydrophobicContact CB-CZ2 3.8Å; E565-W567 HydrophobicContact CG-CH2 4.3Å; E565-W567 HydrophobicContact CG-CZ2 3.64Å; E565-W567 PolarHBondContact O-N 3.31Å; E565-N568 HydrophobicContact CB-CB 4.08Å; E565-N568 WeakPolarHBondContact O-CB 3.41Å; E565-N568 PolarHBondContact O-N 3.48Å; E565-V571 HydrophobicContact CB-CG2 4.44Å
566Y92.4Very high91.2Very high2 Ų237.5 Ų37.51%0.00820%0.195CC..THydrogen-bonded Turntrans-55.7-21.6179.8-72.5-77.4000114.6I560 I564 N568 Q572 W587 F588 V642 S645I560-Y566 HydrophobicContact CD1-CE1 4.36Å; I560-Y566 VanDerWaalsContact CD1-OH 3.24Å; I560-Y566 WeakPolarHBondContact CD1-OH 3.25Å; I564-Y566 VanDerWaalsContact C-N 3.35Å; I564-Y566 HydrophobicContact CD1-CD1 4.13Å; I564-Y566 HydrophobicContact CD1-CE1 3.58Å; I564-Y566 HydrophobicContact CD1-CE2 4.02Å; I564-Y566 VanDerWaalsContact CD1-CZ 3.49Å; I564-Y566 HydrophobicContact CG1-CD1 4.25Å; I564-Y566 HydrophobicContact CG1-CD2 3.8Å; I564-Y566 HydrophobicContact CG1-CE1 3.89Å; I564-Y566 HydrophobicContact CG1-CE2 3.38Å; I564-Y566 HydrophobicContact CG1-CG 4.21Å; I564-Y566 VanDerWaalsContact CG1-CZ 3.41Å; I564-Y566 WeakPolarHBondContact O-CD2 3.32Å; I564-Y566 PolarHBondContact O-N 3.48Å; Y566-N568 VanDerWaalsContact C-N 3.34Å; Y566-Q572 VanDerWaalsContact O-CG 3.26Å; Y566-Q572 WeakPolarHBondContact O-CG 3.49Å; Y566-Q572 PolarHBondContact O-NE2 3.47Å; Y566-W587 AromaticContact CD1-CH2 3.9Å; Y566-W587 HydrophobicContact CD1-CH2 3.9Å; Y566-W587 HydrophobicContact CD1-CZ2 4.2Å; Y566-W587 HydrophobicContact CD2-CH2 4.18Å; Y566-W587 AromaticContact CE1-CH2 3.93Å; Y566-W587 HydrophobicContact CE1-CH2 3.93Å; Y566-W587 AromaticContact CE1-CZ2 3.74Å; Y566-W587 HydrophobicContact CE1-CZ2 3.74Å; Y566-W587 HydrophobicContact CE2-CH2 4.22Å; Y566-W587 HydrophobicContact CE2-CZ2 4.11Å; Y566-W587 HydrophobicContact CG-CH2 4.03Å; Y566-W587 AromaticContact CZ-CZ2 3.71Å; Y566-F588 AromaticContact CD1-CD2 3.65Å; Y566-F588 HydrophobicContact CD1-CD2 3.65Å; Y566-F588 AromaticContact CD1-CE2 3.63Å; Y566-F588 HydrophobicContact CD1-CE2 3.63Å; Y566-F588 HydrophobicContact CD1-CG 4.34Å; Y566-F588 HydrophobicContact CD1-CZ 4.29Å; Y566-F588 HydrophobicContact CE1-CD2 4.2Å; Y566-F588 HydrophobicContact CE1-CE2 4.49Å; Y566-F588 HydrophobicContact CE1-CG 4.49Å; Y566-F588 HydrophobicContact CG-CE2 4.45Å; Y566-V642 HydrophobicContact CD2-CB 4.17Å; Y566-V642 HydrophobicContact CD2-CG1 4.25Å; Y566-V642 HydrophobicContact CD2-CG2 4.41Å; Y566-V642 HydrophobicContact CE2-CB 4.01Å; Y566-V642 HydrophobicContact CE2-CG1 3.63Å; Y566-S645 PolarHBondContact OH-OG 2.91Å
567W91.1Very high91.4Very high43 Ų4342.8 Ų42.816%0.16322%0.219CC..THydrogen-bonded Turntrans-78.1-16.1176.854.782.7000113.7E565 G603 L604 K606 F609E565-W567 HydrophobicContact CB-CD2 4.33Å; E565-W567 HydrophobicContact CB-CH2 4.4Å; E565-W567 HydrophobicContact CB-CZ2 3.8Å; E565-W567 HydrophobicContact CG-CH2 4.3Å; E565-W567 HydrophobicContact CG-CZ2 3.64Å; E565-W567 PolarHBondContact O-N 3.31Å; W567-G603 WeakPolarHBondContact O-CA 3.43Å; W567-L604 WeakPolarHBondContact CB-O 3.28Å; W567-K606 HydrophobicContact CD2-CB 3.78Å; W567-K606 HydrophobicContact CD2-CG 3.97Å; W567-K606 HydrophobicContact CE3-CB 4.1Å; W567-K606 HydrophobicContact CE3-CG 3.82Å; W567-K606 HydrophobicContact CG-CB 4.23Å; W567-K606 HydrophobicContact CH2-CB 4.39Å; W567-K606 HydrophobicContact CH2-CD 3.57Å; W567-K606 HydrophobicContact CH2-CG 3.66Å; W567-K606 HydrophobicContact CZ2-CB 4.08Å; W567-K606 HydrophobicContact CZ2-CD 3.63Å; W567-K606 HydrophobicContact CZ2-CG 3.8Å; W567-K606 HydrophobicContact CZ3-CB 4.4Å; W567-K606 HydrophobicContact CZ3-CD 4.1Å; W567-K606 HydrophobicContact CZ3-CG 3.67Å; W567-F609 HydrophobicContact CB-CB 3.91Å; W567-F609 HydrophobicContact CB-CD1 4.31Å; W567-F609 HydrophobicContact CB-CD2 4.03Å; W567-F609 HydrophobicContact CB-CG 3.83Å
568N93Very high91.5Very high60 Ų6044.5 Ų44.532%0.32123%0.225SC..SBendtrans-86.7119.9179.3-176.7-8.5000110.8E565 Y566 S570 V571 Q572E565-N568 HydrophobicContact CB-CB 4.08Å; E565-N568 WeakPolarHBondContact O-CB 3.41Å; E565-N568 PolarHBondContact O-N 3.48Å; Y566-N568 VanDerWaalsContact C-N 3.34Å; N568-S570 VanDerWaalsContact C-N 3.25Å; N568-S570 PolarHBondContact ND2-OG 3.22Å; N568-S570 PolarHBondContact O-N 2.92Å; N568-S570 VanDerWaalsContact O-N 3.15Å; N568-S570 PolarHBondContact OD1-N 3.15Å; N568-S570 PolarHBondContact OD1-OG 2.72Å; N568-V571 HydrophobicContact CB-CB 4.42Å; N568-V571 HydrophobicContact CB-CG2 4.09Å; N568-V571 WeakPolarHBondContact O-CB 3.43Å; N568-V571 PolarHBondContact O-N 3.21Å; N568-Q572 WeakPolarHBondContact O-CG 3.29Å; N568-Q572 PolarHBondContact O-N 2.64Å
569T91.7Very high91.4Very high62 Ų6244.5 Ų44.538%0.3823%0.225SC..Hα-helixtrans-54.2-36.3-176.2-400000113.6V571 Q572 E573T569-V571 VanDerWaalsContact C-N 3.33Å; T569-V571 PolarHBondContact O-N 3.41Å; T569-Q572 WeakPolarHBondContact O-CB 3.24Å; T569-Q572 PolarHBondContact O-N 3.26Å; T569-Q572 VanDerWaalsContact O-N 3.16Å; T569-E573 WeakPolarHBondContact O-CG 3.42Å; T569-E573 PolarHBondContact O-N 2.85Å
570S92.1Very high91.4Very high56 Ų5650.2 Ų50.239%0.39225%0.25SC..Hα-helixtrans-65.2-38.3177.965.40000112.2N568 Q572 E573 D574N568-S570 VanDerWaalsContact C-N 3.25Å; N568-S570 PolarHBondContact ND2-OG 3.22Å; N568-S570 PolarHBondContact O-N 2.92Å; N568-S570 VanDerWaalsContact O-N 3.15Å; N568-S570 PolarHBondContact OD1-N 3.15Å; N568-S570 PolarHBondContact OD1-OG 2.72Å; S570-Q572 VanDerWaalsContact C-N 3.33Å; S570-E573 PolarHBondContact O-N 3.01Å; S570-D574 PolarHBondContact O-N 3.02Å
571V92Very high91.1Very high22 Ų2253.7 Ų53.713%0.13329%0.286CS..Hα-helixtrans-69.6-35.8175.2-179.70000110.2I564 E565 N568 T569 E573 D574 V575 V677I564-V571 HydrophobicContact CB-CG1 4.26Å; I564-V571 HydrophobicContact CD1-CG1 3.98Å; I564-V571 HydrophobicContact CG1-CG1 4.41Å; E565-V571 HydrophobicContact CB-CG2 4.44Å; N568-V571 HydrophobicContact CB-CB 4.42Å; N568-V571 HydrophobicContact CB-CG2 4.09Å; N568-V571 WeakPolarHBondContact O-CB 3.43Å; N568-V571 PolarHBondContact O-N 3.21Å; T569-V571 VanDerWaalsContact C-N 3.33Å; T569-V571 PolarHBondContact O-N 3.41Å; V571-E573 VanDerWaalsContact C-N 3.35Å; V571-D574 PolarHBondContact O-N 2.82Å; V571-V575 HydrophobicContact CG1-CG2 4.44Å; V571-V575 WeakPolarHBondContact O-CG2 3.48Å; V571-V575 PolarHBondContact O-N 3.31Å; V571-V677 HydrophobicContact CG1-CG2 4.33Å
572Q93.8Very high91.1Very high6 Ų651 Ų513%0.02828%0.277CS..Hα-helixtrans-60.6-45.4174.7-56-179.6-1.300111.3Y566 N568 T569 S570 L576 F588 T602Y566-Q572 VanDerWaalsContact O-CG 3.26Å; Y566-Q572 WeakPolarHBondContact O-CG 3.49Å; Y566-Q572 PolarHBondContact O-NE2 3.47Å; N568-Q572 WeakPolarHBondContact O-CG 3.29Å; N568-Q572 PolarHBondContact O-N 2.64Å; T569-Q572 WeakPolarHBondContact O-CB 3.24Å; T569-Q572 PolarHBondContact O-N 3.26Å; T569-Q572 VanDerWaalsContact O-N 3.16Å; S570-Q572 VanDerWaalsContact C-N 3.33Å; Q572-L576 WeakPolarHBondContact O-CB 3.3Å; Q572-L576 VanDerWaalsContact O-CG 3.25Å; Q572-L576 WeakPolarHBondContact O-CG 3.49Å; Q572-L576 PolarHBondContact O-N 3.19Å; Q572-L576 VanDerWaalsContact O-N 3.07Å; Q572-F588 HydrophobicContact CB-CE1 4.46Å; Q572-F588 HydrophobicContact CB-CZ 3.77Å; Q572-F588 HydrophobicContact CG-CE2 4.3Å; Q572-F588 HydrophobicContact CG-CZ 3.74Å; Q572-T602 PolarHBondContact NE2-O 2.87Å; Q572-T602 VanDerWaalsContact OE1-CB 3.31Å; Q572-T602 PolarHBondContact OE1-OG1 3.37Å; Q572-T602 VanDerWaalsContact OE1-OG1 3.05Å
573E91.9Very high91.2Very high129 Ų12950 Ų5060%0.60327%0.274SS*.Hα-helixtrans-64.6-45.6177.6-72.4173.9-176.300111.8T569 S570 V571 V575 L576 E577T569-E573 WeakPolarHBondContact O-CG 3.42Å; T569-E573 PolarHBondContact O-N 2.85Å; S570-E573 PolarHBondContact O-N 3.01Å; V571-E573 VanDerWaalsContact C-N 3.35Å; E573-V575 PolarHBondContact O-N 3.37Å; E573-L576 PolarHBondContact O-N 3.33Å; E573-E577 WeakPolarHBondContact O-CB 3.32Å; E573-E577 PolarHBondContact O-N 2.97Å
574D92.2Very high91.2Very high39 Ų3950.1 Ų50.121%0.20927%0.265CS..Hα-helixtrans-56.8-49.3177.1-76.2-23.2000111.1S570 V571 L576 E577 Y578 K676S570-D574 PolarHBondContact O-N 3.02Å; V571-D574 PolarHBondContact O-N 2.82Å; D574-L576 PolarHBondContact O-N 2.88Å; D574-E577 PolarHBondContact O-N 3.3Å; D574-Y578 HydrophobicContact CB-CE2 4.12Å; D574-Y578 WeakPolarHBondContact O-CD1 3.2Å; D574-Y578 WeakPolarHBondContact O-CD2 3.49Å; D574-Y578 PolarHBondContact O-N 3.49Å; D574-K676 IonicContact OD2-NZ 2.87Å
575V91.7Very high91Very high1 Ų150.2 Ų50.21%0.00627%0.265CS..Hα-helixtrans-63.9-39179.3173.40000112.1I560 I564 V571 E573 T579 F588 M647 V677I560-V575 HydrophobicContact CD1-CG1 4.47Å; I560-V575 HydrophobicContact CD1-CG2 4.45Å; I564-V575 HydrophobicContact CD1-CG2 3.87Å; V571-V575 HydrophobicContact CG1-CG2 4.44Å; V571-V575 WeakPolarHBondContact O-CG2 3.48Å; V571-V575 PolarHBondContact O-N 3.31Å; E573-V575 PolarHBondContact O-N 3.37Å; V575-T579 WeakPolarHBondContact O-CG2 3.35Å; V575-T579 PolarHBondContact O-N 2.83Å; V575-T579 PolarHBondContact O-OG1 2.81Å; V575-F588 HydrophobicContact CB-CE1 4.19Å; V575-F588 HydrophobicContact CG1-CD1 3.96Å; V575-F588 HydrophobicContact CG1-CE1 4.01Å; V575-M647 HydrophobicContact CG1-CE 3.96Å; V575-V677 HydrophobicContact CG2-CG2 4.23Å
576L92.4Very high91Very high42 Ų4245.8 Ų45.822%0.2225%0.245CC..Hα-helixtrans-71.8-33.2178.2-71.1172.9000112.5Q572 E573 D574 T579 K580 F588 L592Q572-L576 WeakPolarHBondContact O-CB 3.3Å; Q572-L576 VanDerWaalsContact O-CG 3.25Å; Q572-L576 WeakPolarHBondContact O-CG 3.49Å; Q572-L576 PolarHBondContact O-N 3.19Å; Q572-L576 VanDerWaalsContact O-N 3.07Å; E573-L576 PolarHBondContact O-N 3.33Å; D574-L576 PolarHBondContact O-N 2.88Å; L576-T579 PolarHBondContact O-N 3.37Å; L576-T579 PolarHBondContact O-OG1 2.87Å; L576-K580 PolarHBondContact O-N 3.39Å; L576-F588 HydrophobicContact CD2-CD1 4.46Å; L576-F588 HydrophobicContact CD2-CE1 4.35Å; L576-F588 HydrophobicContact CG-CE1 4.16Å; L576-L592 HydrophobicContact CD1-CD1 4.07Å
577E91.4Very high91Very high110 Ų11045.8 Ų45.851%0.51425%0.245SC..Hα-helixtrans-70.2-41.2176.4-169.563.6-160.700111E573 D574 T579 K580E573-E577 WeakPolarHBondContact O-CB 3.32Å; E573-E577 PolarHBondContact O-N 2.97Å; D574-E577 PolarHBondContact O-N 3.3Å; E577-T579 PolarHBondContact O-N 2.83Å; E577-K580 VanDerWaalsContact CD-NZ 3.28Å; E577-K580 WeakPolarHBondContact O-CB 3.39Å; E577-K580 PolarHBondContact O-N 2.93Å; E577-K580 VanDerWaalsContact O-N 3.16Å; E577-K580 WeakPolarHBondContact OE1-CD 3.18Å; E577-K580 IonicContact OE1-NZ 3.7Å; E577-K580 PolarHBondContact OE1-NZ 3.02Å; E577-K580 WeakPolarHBondContact OE2-CD 3.34Å; E577-K580 IonicContact OE2-NZ 3.84Å; E577-K580 PolarHBondContact OE2-NZ 3.46Å
578Y89.9Confident91.1Very high40 Ų4043.8 Ų43.816%0.15724%0.237CC..Hα-helixtrans-62.4-26.9176.9-57-25.2000113.4D574 S675 K676 V677 F679D574-Y578 HydrophobicContact CB-CE2 4.12Å; D574-Y578 WeakPolarHBondContact O-CD1 3.2Å; D574-Y578 WeakPolarHBondContact O-CD2 3.49Å; D574-Y578 PolarHBondContact O-N 3.49Å; Y578-S675 VanDerWaalsContact CZ-CB 3.47Å; Y578-K676 PolarHBondContact OH-N 3.07Å; Y578-V677 HydrophobicContact CE2-CB 4.05Å; Y578-V677 HydrophobicContact CE2-CG2 4.35Å; Y578-F679 HydrophobicContact CD2-CE1 4.11Å; Y578-F679 HydrophobicContact CG-CE1 4.42Å
579T89.5Confident91.1Very high1 Ų143.3 Ų43.31%0.00623%0.233CC..THydrogen-bonded Turntrans-102.87.2-178.260.30000112.9F558 V575 L576 E577 F582 R584 M647 L649F558-T579 HydrophobicContact CE2-CG2 4.32Å; F558-T579 HydrophobicContact CZ-CG2 4.35Å; V575-T579 WeakPolarHBondContact O-CG2 3.35Å; V575-T579 PolarHBondContact O-N 2.83Å; V575-T579 PolarHBondContact O-OG1 2.81Å; L576-T579 PolarHBondContact O-N 3.37Å; L576-T579 PolarHBondContact O-OG1 2.87Å; E577-T579 PolarHBondContact O-N 2.83Å; T579-F582 WeakPolarHBondContact O-CD2 3.28Å; T579-F582 PolarHBondContact O-N 2.69Å; T579-R584 WeakPolarHBondContact O-CD 2.99Å; T579-R584 WeakPolarHBondContact OG1-CD 3.49Å; T579-M647 HydrophobicContact CG2-SD 3.85Å; T579-L649 HydrophobicContact CG2-CD1 4.05Å; T579-L649 HydrophobicContact CG2-CD2 3.76Å
580K90.2Very high91.2Very high124 Ų12441.8 Ų41.854%0.53923%0.225SC..THydrogen-bonded Turntrans-67.1143.6-179.7-173174176.8-179.60111.6L576 E577 F582L576-K580 PolarHBondContact O-N 3.39Å; E577-K580 VanDerWaalsContact CD-NZ 3.28Å; E577-K580 WeakPolarHBondContact O-CB 3.39Å; E577-K580 PolarHBondContact O-N 2.93Å; E577-K580 VanDerWaalsContact O-N 3.16Å; E577-K580 WeakPolarHBondContact OE1-CD 3.18Å; E577-K580 IonicContact OE1-NZ 3.7Å; E577-K580 PolarHBondContact OE1-NZ 3.02Å; E577-K580 WeakPolarHBondContact OE2-CD 3.34Å; E577-K580 IonicContact OE2-NZ 3.84Å; E577-K580 PolarHBondContact OE2-NZ 3.46Å; K580-F582 WeakPolarHBondContact O-CD2 3.32Å; K580-F582 PolarHBondContact O-N 2.8Å
581G87.2Confident91.3Very high75 Ų7539.1 Ų39.177%0.77321%0.206SC*.THydrogen-bonded Turntrans83.7-14.4-176.700000114.3
582F90.6Very high91.5Very high33 Ų3338.1 Ų38.115%0.14520%0.201CC..SBendtrans-88.4149173.8-62.3-90.6000111.6T579 K580 R584 L649 A651 L664 L668T579-F582 WeakPolarHBondContact O-CD2 3.28Å; T579-F582 PolarHBondContact O-N 2.69Å; K580-F582 WeakPolarHBondContact O-CD2 3.32Å; K580-F582 PolarHBondContact O-N 2.8Å; F582-R584 HydrophobicContact CB-CG 4.41Å; F582-R584 PolarHBondContact O-N 3.36Å; F582-L649 HydrophobicContact CB-CB 4.03Å; F582-L649 HydrophobicContact CB-CD2 4.16Å; F582-L649 HydrophobicContact CD1-CB 3.82Å; F582-L649 HydrophobicContact CD2-CD1 4.38Å; F582-L649 HydrophobicContact CE1-CB 4.48Å; F582-L649 HydrophobicContact CG-CB 3.96Å; F582-L649 HydrophobicContact CG-CD1 4.37Å; F582-A651 HydrophobicContact CD1-CB 3.96Å; F582-A651 HydrophobicContact CE1-CB 3.84Å; F582-L664 HydrophobicContact CE1-CD1 3.9Å; F582-L664 HydrophobicContact CE1-CD2 4.4Å; F582-L664 HydrophobicContact CZ-CD1 3.77Å; F582-L668 HydrophobicContact CE1-CD1 4.45Å; F582-L668 HydrophobicContact CE2-CD2 4.19Å; F582-L668 HydrophobicContact CZ-CD1 4.16Å; F582-L668 HydrophobicContact CZ-CD2 3.84Å; F582-L668 HydrophobicContact CZ-CG 4.33Å
583V88.9Confident91.5Very high32 Ų3240.7 Ų40.719%0.19422%0.215CC..EExtended strand (participates in β ladder)trans-72.3116.7157.9179.30000106.9P176 I177 Y187 Y552 V650P176-V583 HydrophobicContact CG-CG1 3.98Å; P176-V583 HydrophobicContact CG-CG2 4Å; I177-V583 HydrophobicContact CD1-CG1 3.75Å; I177-V583 HydrophobicContact CG1-CG1 4.06Å; Y187-V583 HydrophobicContact CD2-CG1 4.14Å; Y187-V583 HydrophobicContact CE2-CG1 4.19Å; Y552-V583 HydrophobicContact CE1-CG2 4.09Å; V583-V650 HydrophobicContact CB-CB 4.26Å; V583-V650 PolarHBondContact N-O 3.38Å; V583-V650 PolarHBondContact O-N 3.5Å
584R90Very high91.6Very high65 Ų6536.1 Ų36.125%0.24519%0.192CC..EExtended strand (participates in β ladder)trans-103.5126.1-172.3-66.9168.4-62-159.14.7110.7T579 F582 E589 L649T579-R584 WeakPolarHBondContact O-CD 2.99Å; T579-R584 WeakPolarHBondContact OG1-CD 3.49Å; F582-R584 HydrophobicContact CB-CG 4.41Å; F582-R584 PolarHBondContact O-N 3.36Å; R584-E589 WeakPolarHBondContact CB-OE2 3.32Å; R584-E589 IonicContact CZ-OE1 3.64Å; R584-E589 IonicContact CZ-OE2 3.02Å; R584-E589 IonicContact NE-OE1 2.75Å; R584-E589 IonicContact NE-OE2 3.48Å; R584-E589 PolarHBondContact NE-OE2 2.97Å; R584-E589 VanDerWaalsContact NH2-CD 3.35Å; R584-E589 IonicContact NH2-OE1 3.67Å; R584-E589 PolarHBondContact NH2-OE1 3.31Å; R584-E589 IonicContact NH2-OE2 3.84Å; R584-E589 PolarHBondContact NH2-OE2 3.49Å; R584-L649 HydrophobicContact CG-CD2 3.77Å
585I88Confident91.7Very high15 Ų1534.2 Ų34.28%0.07718%0.182CC..EExtended strand (participates in β ladder)trans-104.788.8162.9-44.6168000105.4L83 Y187 F648L83-I585 HydrophobicContact CD2-CD1 3.52Å; L83-I585 HydrophobicContact CD2-CG2 3.94Å; Y187-I585 HydrophobicContact CD2-CD1 4.43Å; Y187-I585 HydrophobicContact CG-CD1 3.93Å; I585-F648 HydrophobicContact CB-CB 4.13Å; I585-F648 HydrophobicContact CD1-CB 4.32Å; I585-F648 PolarHBondContact N-O 3.14Å; I585-F648 PolarHBondContact O-N 2.91Å
586S90.1Very high91.8Very high5 Ų540.5 Ų40.54%0.03521%0.205CC..  trans-129.9124.5-169.1-178.60000111.1F588 E589 S590S586-F588 PolarHBondContact O-N 2.94Å; S586-F588 PolarHBondContact OG-N 3.47Å; S586-E589 PolarHBondContact OG-N 3.45Å; S586-S590 WeakPolarHBondContact O-CB 3.43Å; S586-S590 PolarHBondContact O-N 2.82Å; S586-S590 PolarHBondContact O-OG 3.39Å
587W92.5Very high91.8Very high1 Ų146.5 Ų46.50%0.00423%0.23CC..Hα-helixtrans-58.7-35.4169.570.2-97000110.7Y566 S590 Y591 L613 F626 I630 S645 R646Y566-W587 AromaticContact CD1-CH2 3.9Å; Y566-W587 HydrophobicContact CD1-CH2 3.9Å; Y566-W587 HydrophobicContact CD1-CZ2 4.2Å; Y566-W587 HydrophobicContact CD2-CH2 4.18Å; Y566-W587 AromaticContact CE1-CH2 3.93Å; Y566-W587 HydrophobicContact CE1-CH2 3.93Å; Y566-W587 AromaticContact CE1-CZ2 3.74Å; Y566-W587 HydrophobicContact CE1-CZ2 3.74Å; Y566-W587 HydrophobicContact CE2-CH2 4.22Å; Y566-W587 HydrophobicContact CE2-CZ2 4.11Å; Y566-W587 HydrophobicContact CG-CH2 4.03Å; Y566-W587 AromaticContact CZ-CZ2 3.71Å; W587-S590 PolarHBondContact O-N 3.5Å; W587-Y591 HydrophobicContact CZ3-CD1 4.45Å; W587-Y591 WeakPolarHBondContact O-CB 3.42Å; W587-Y591 PolarHBondContact O-N 2.85Å; W587-L613 HydrophobicContact CE3-CD1 3.94Å; W587-L613 HydrophobicContact CH2-CD2 4.34Å; W587-L613 HydrophobicContact CZ3-CD1 3.82Å; W587-L613 HydrophobicContact CZ3-CD2 3.87Å; W587-F626 HydrophobicContact CB-CB 3.57Å; W587-F626 HydrophobicContact CB-CD1 3.53Å; W587-F626 HydrophobicContact CB-CD2 4.07Å; W587-F626 HydrophobicContact CB-CE1 4.2Å; W587-F626 HydrophobicContact CB-CG 3.47Å; W587-F626 VanDerWaalsContact CB-CG 3.47Å; W587-I630 HydrophobicContact CD2-CD1 3.41Å; W587-I630 VanDerWaalsContact CD2-CD1 3.41Å; W587-I630 HydrophobicContact CD2-CG1 3.84Å; W587-I630 HydrophobicContact CE3-CD1 3.48Å; W587-I630 VanDerWaalsContact CE3-CD1 3.48Å; W587-I630 HydrophobicContact CE3-CG1 4.39Å; W587-I630 HydrophobicContact CG-CD1 3.89Å; W587-I630 HydrophobicContact CG-CG1 4.04Å; W587-I630 HydrophobicContact CH2-CD1 4.19Å; W587-I630 HydrophobicContact CZ2-CD1 4.13Å; W587-I630 HydrophobicContact CZ2-CG1 4.25Å; W587-I630 HydrophobicContact CZ3-CD1 3.88Å; W587-S645 PolarHBondContact NE1-OG 3.47Å; W587-R646 VanDerWaalsContact CD1-O 3.25Å
588F94.7Very high91.8Very high1 Ų145.3 Ų45.30%0.00423%0.227CC..Hα-helixtrans-69.9-51.3-173.7177.4-116.9000111.3Y566 Q572 V575 L576 S586 S590 Y591 L592Y566-F588 AromaticContact CD1-CD2 3.65Å; Y566-F588 HydrophobicContact CD1-CD2 3.65Å; Y566-F588 AromaticContact CD1-CE2 3.63Å; Y566-F588 HydrophobicContact CD1-CE2 3.63Å; Y566-F588 HydrophobicContact CD1-CG 4.34Å; Y566-F588 HydrophobicContact CD1-CZ 4.29Å; Y566-F588 HydrophobicContact CE1-CD2 4.2Å; Y566-F588 HydrophobicContact CE1-CE2 4.49Å; Y566-F588 HydrophobicContact CE1-CG 4.49Å; Y566-F588 HydrophobicContact CG-CE2 4.45Å; Q572-F588 HydrophobicContact CB-CE1 4.46Å; Q572-F588 HydrophobicContact CB-CZ 3.77Å; Q572-F588 HydrophobicContact CG-CE2 4.3Å; Q572-F588 HydrophobicContact CG-CZ 3.74Å; V575-F588 HydrophobicContact CB-CE1 4.19Å; V575-F588 HydrophobicContact CG1-CD1 3.96Å; V575-F588 HydrophobicContact CG1-CE1 4.01Å; L576-F588 HydrophobicContact CD2-CD1 4.46Å; L576-F588 HydrophobicContact CD2-CE1 4.35Å; L576-F588 HydrophobicContact CG-CE1 4.16Å; S586-F588 PolarHBondContact O-N 2.94Å; S586-F588 PolarHBondContact OG-N 3.47Å; F588-S590 VanDerWaalsContact C-N 3.3Å; F588-S590 PolarHBondContact O-N 3.34Å; F588-Y591 PolarHBondContact O-N 3.37Å; F588-Y591 VanDerWaalsContact O-N 3.15Å; F588-L592 HydrophobicContact CD1-CD1 4.43Å; F588-L592 HydrophobicContact CD2-CG 4.48Å; F588-L592 HydrophobicContact CE1-CD1 3.86Å; F588-L592 HydrophobicContact CE2-CD1 4.13Å; F588-L592 HydrophobicContact CE2-CD2 4.09Å; F588-L592 HydrophobicContact CE2-CG 4.11Å; F588-L592 HydrophobicContact CZ-CD1 3.68Å; F588-L592 HydrophobicContact CZ-CD2 4.33Å; F588-L592 HydrophobicContact CZ-CG 4.18Å; F588-L592 WeakPolarHBondContact O-CG 3.19Å; F588-L592 PolarHBondContact O-N 2.88Å
589E92.6Very high91.8Very high50 Ų5050.8 Ų50.823%0.23426%0.259CS..Hα-helixtrans-60.9-41.3174.9-179.6173.1-161.800111.5R584 S586 Y591 L592 N593R584-E589 WeakPolarHBondContact CB-OE2 3.32Å; R584-E589 IonicContact CZ-OE1 3.64Å; R584-E589 IonicContact CZ-OE2 3.02Å; R584-E589 IonicContact NE-OE1 2.75Å; R584-E589 IonicContact NE-OE2 3.48Å; R584-E589 PolarHBondContact NE-OE2 2.97Å; R584-E589 VanDerWaalsContact NH2-CD 3.35Å; R584-E589 IonicContact NH2-OE1 3.67Å; R584-E589 PolarHBondContact NH2-OE1 3.31Å; R584-E589 IonicContact NH2-OE2 3.84Å; R584-E589 PolarHBondContact NH2-OE2 3.49Å; S586-E589 PolarHBondContact OG-N 3.45Å; E589-Y591 VanDerWaalsContact C-N 3.3Å; E589-Y591 PolarHBondContact O-N 3.3Å; E589-L592 PolarHBondContact O-N 3.35Å; E589-N593 WeakPolarHBondContact O-CB 3.1Å; E589-N593 VanDerWaalsContact O-CG 3.31Å; E589-N593 PolarHBondContact O-N 2.86Å; E589-N593 PolarHBondContact O-ND2 3.46Å
590S92.6Very high91.9Very high30 Ų3052.9 Ų52.921%0.2127%0.271CS..Hα-helixtrans-62.1-38.4176.3-61.90000112.1S586 W587 F588 Y594S586-S590 WeakPolarHBondContact O-CB 3.43Å; S586-S590 PolarHBondContact O-N 2.82Å; S586-S590 PolarHBondContact O-OG 3.39Å; W587-S590 PolarHBondContact O-N 3.5Å; F588-S590 VanDerWaalsContact C-N 3.3Å; F588-S590 PolarHBondContact O-N 3.34Å; S590-Y594 WeakPolarHBondContact O-CB 3.19Å; S590-Y594 PolarHBondContact O-N 3.13Å
591Y95.9Very high91.9Very high0 Ų050.8 Ų50.80%027%0.272CS..Hα-helixtrans-70.9-44.9178.4-178.9-132000112.3W587 F588 E589 N593 Y594 L595 F609 M612 L613 F617W587-Y591 HydrophobicContact CZ3-CD1 4.45Å; W587-Y591 WeakPolarHBondContact O-CB 3.42Å; W587-Y591 PolarHBondContact O-N 2.85Å; F588-Y591 PolarHBondContact O-N 3.37Å; F588-Y591 VanDerWaalsContact O-N 3.15Å; E589-Y591 VanDerWaalsContact C-N 3.3Å; E589-Y591 PolarHBondContact O-N 3.3Å; Y591-N593 VanDerWaalsContact C-N 3.27Å; Y591-N593 PolarHBondContact O-N 3.22Å; Y591-Y594 HydrophobicContact CD2-CD1 4.13Å; Y591-Y594 HydrophobicContact CE2-CD1 4.19Å; Y591-Y594 WeakPolarHBondContact O-CA 3.38Å; Y591-Y594 WeakPolarHBondContact O-CB 3.25Å; Y591-Y594 PolarHBondContact O-N 3.47Å; Y591-L595 HydrophobicContact CD1-CD1 4.4Å; Y591-L595 HydrophobicContact CD2-CG 4.28Å; Y591-L595 HydrophobicContact CE1-CD1 3.95Å; Y591-L595 HydrophobicContact CE1-CG 4.49Å; Y591-L595 HydrophobicContact CE2-CD1 4.23Å; Y591-L595 HydrophobicContact CE2-CD2 3.84Å; Y591-L595 HydrophobicContact CE2-CG 3.88Å; Y591-L595 WeakPolarHBondContact O-CG 3.3Å; Y591-L595 PolarHBondContact O-N 3.28Å; Y591-F609 HydrophobicContact CD1-CE1 4.29Å; Y591-F609 HydrophobicContact CD1-CE2 4.14Å; Y591-F609 AromaticContact CD1-CZ 3.77Å; Y591-F609 HydrophobicContact CD1-CZ 3.77Å; Y591-F609 HydrophobicContact CE1-CD1 4.17Å; Y591-F609 HydrophobicContact CE1-CD2 4.01Å; Y591-F609 AromaticContact CE1-CE1 3.74Å; Y591-F609 HydrophobicContact CE1-CE1 3.74Å; Y591-F609 AromaticContact CE1-CE2 3.58Å; Y591-F609 HydrophobicContact CE1-CE2 3.58Å; Y591-F609 HydrophobicContact CE1-CG 4.3Å; Y591-F609 AromaticContact CE1-CZ 3.44Å; Y591-F609 HydrophobicContact CE1-CZ 3.44Å; Y591-F609 VanDerWaalsContact CE1-CZ 3.44Å; Y591-F609 PolarHBondContact OH-O 2.61Å; Y591-M612 WeakPolarHBondContact OH-CB 3.31Å; Y591-L613 HydrophobicContact CD1-CD1 3.82Å; Y591-L613 HydrophobicContact CD2-CD1 4.12Å; Y591-L613 HydrophobicContact CE1-CB 3.94Å; Y591-L613 HydrophobicContact CE1-CD1 4.01Å; Y591-L613 HydrophobicContact CE1-CG 4.46Å; Y591-L613 HydrophobicContact CE2-CB 4.32Å; Y591-L613 HydrophobicContact CE2-CD1 4.34Å; Y591-L613 HydrophobicContact CG-CD1 3.86Å; Y591-L613 PolarHBondContact OH-N 3.36Å; Y591-L613 VanDerWaalsContact OH-N 3.11Å; Y591-F617 HydrophobicContact CD2-CB 3.58Å; Y591-F617 AromaticContact CD2-CD1 3.93Å; Y591-F617 HydrophobicContact CD2-CD1 3.93Å; Y591-F617 AromaticContact CD2-CD2 3.71Å; Y591-F617 HydrophobicContact CD2-CD2 3.71Å; Y591-F617 HydrophobicContact CD2-CE2 4.33Å; Y591-F617 AromaticContact CD2-CG 3.47Å; Y591-F617 HydrophobicContact CD2-CG 3.47Å; Y591-F617 VanDerWaalsContact CD2-CG 3.47Å; Y591-F617 HydrophobicContact CE2-CB 3.73Å; Y591-F617 HydrophobicContact CE2-CG 4.16Å; Y591-F617 HydrophobicContact CG-CD1 4.31Å; Y591-F617 HydrophobicContact CG-CD2 4.48Å; Y591-F617 HydrophobicContact CG-CG 4.26Å
592L95.5Very high91.9Very high2 Ų248.4 Ų48.41%0.0124%0.242CC..Hα-helixtrans-59-41.6174.2-64-177.3000111.2L576 F588 E589 Y594 L595 R596 T602L576-L592 HydrophobicContact CD1-CD1 4.07Å; F588-L592 HydrophobicContact CD1-CD1 4.43Å; F588-L592 HydrophobicContact CD2-CG 4.48Å; F588-L592 HydrophobicContact CE1-CD1 3.86Å; F588-L592 HydrophobicContact CE2-CD1 4.13Å; F588-L592 HydrophobicContact CE2-CD2 4.09Å; F588-L592 HydrophobicContact CE2-CG 4.11Å; F588-L592 HydrophobicContact CZ-CD1 3.68Å; F588-L592 HydrophobicContact CZ-CD2 4.33Å; F588-L592 HydrophobicContact CZ-CG 4.18Å; F588-L592 WeakPolarHBondContact O-CG 3.19Å; F588-L592 PolarHBondContact O-N 2.88Å; E589-L592 PolarHBondContact O-N 3.35Å; L592-Y594 VanDerWaalsContact C-N 3.34Å; L592-L595 PolarHBondContact O-N 3.4Å; L592-R596 VanDerWaalsContact O-CG 3.3Å; L592-R596 WeakPolarHBondContact O-CG 3.4Å; L592-R596 PolarHBondContact O-N 3.38Å; L592-T602 HydrophobicContact CB-CG2 4.36Å; L592-T602 HydrophobicContact CD2-CG2 3.78Å
593N92.6Very high91.7Very high60 Ų6048.5 Ų48.532%0.32125%0.253SS..Hα-helixtrans-67-34.4175.2-73.4-25.4000112.6E589 Y591 R596 K597E589-N593 WeakPolarHBondContact O-CB 3.1Å; E589-N593 VanDerWaalsContact O-CG 3.31Å; E589-N593 PolarHBondContact O-N 2.86Å; E589-N593 PolarHBondContact O-ND2 3.46Å; Y591-N593 VanDerWaalsContact C-N 3.27Å; Y591-N593 PolarHBondContact O-N 3.22Å; N593-R596 PolarHBondContact OD1-NH1 2.83Å; N593-K597 WeakPolarHBondContact O-CB 3.28Å; N593-K597 VanDerWaalsContact O-CG 3.28Å; N593-K597 WeakPolarHBondContact O-CG 3.29Å; N593-K597 PolarHBondContact O-N 3.11Å
594Y93.9Very high91.6Very high32 Ų3248.2 Ų48.213%0.12525%0.25CS..Hα-helixtrans-64.9-44.7172.9173.5-103.6000111.9S590 Y591 L592 R596 K597 L598 S616 F617 F623S590-Y594 WeakPolarHBondContact O-CB 3.19Å; S590-Y594 PolarHBondContact O-N 3.13Å; Y591-Y594 HydrophobicContact CD2-CD1 4.13Å; Y591-Y594 HydrophobicContact CE2-CD1 4.19Å; Y591-Y594 WeakPolarHBondContact O-CA 3.38Å; Y591-Y594 WeakPolarHBondContact O-CB 3.25Å; Y591-Y594 PolarHBondContact O-N 3.47Å; L592-Y594 VanDerWaalsContact C-N 3.34Å; Y594-R596 PolarHBondContact O-N 3.45Å; Y594-K597 PolarHBondContact O-N 2.93Å; Y594-L598 HydrophobicContact CD1-CD1 4.1Å; Y594-L598 HydrophobicContact CE1-CD1 3.49Å; Y594-L598 VanDerWaalsContact CE1-CD1 3.49Å; Y594-L598 HydrophobicContact CE1-CG 4.47Å; Y594-L598 HydrophobicContact CE2-CD1 4.12Å; Y594-L598 HydrophobicContact CE2-CG 4.43Å; Y594-L598 WeakPolarHBondContact O-CG 3.33Å; Y594-L598 PolarHBondContact O-N 3.4Å; Y594-S616 PolarHBondContact OH-OG 3.48Å; Y594-F617 HydrophobicContact CD1-CB 4.04Å; Y594-F617 AromaticContact CD1-CD2 3.79Å; Y594-F617 HydrophobicContact CD1-CD2 3.79Å; Y594-F617 HydrophobicContact CD1-CG 4.38Å; Y594-F617 HydrophobicContact CD2-CD2 4.39Å; Y594-F617 HydrophobicContact CE1-CB 4.04Å; Y594-F617 HydrophobicContact CE1-CD2 4.44Å; Y594-F617 AromaticContact CG-CD2 3.73Å; Y594-F617 HydrophobicContact CG-CD2 3.73Å; Y594-F617 HydrophobicContact CG-CE2 4.42Å; Y594-F623 HydrophobicContact CD2-CD2 4.41Å; Y594-F623 AromaticContact CD2-CE2 3.71Å; Y594-F623 HydrophobicContact CD2-CE2 3.71Å; Y594-F623 HydrophobicContact CE2-CE2 4.43Å; Y594-F623 HydrophobicContact CG-CE2 4.15Å
595L94.9Very high91.6Very high0 Ų049.2 Ų49.20%027%0.265CS..Hα-helixtrans-60.8-45.1175.2-67.2178.8000111.7Y591 L592 K597 L598 N599 V600 L604 F609 M612Y591-L595 HydrophobicContact CD1-CD1 4.4Å; Y591-L595 HydrophobicContact CD2-CG 4.28Å; Y591-L595 HydrophobicContact CE1-CD1 3.95Å; Y591-L595 HydrophobicContact CE1-CG 4.49Å; Y591-L595 HydrophobicContact CE2-CD1 4.23Å; Y591-L595 HydrophobicContact CE2-CD2 3.84Å; Y591-L595 HydrophobicContact CE2-CG 3.88Å; Y591-L595 WeakPolarHBondContact O-CG 3.3Å; Y591-L595 PolarHBondContact O-N 3.28Å; L592-L595 PolarHBondContact O-N 3.4Å; L595-K597 VanDerWaalsContact C-N 3.32Å; L595-K597 PolarHBondContact O-N 3.04Å; L595-L598 CarbonylContact O-C 3.58Å; L595-L598 WeakPolarHBondContact O-CA 3.48Å; L595-L598 PolarHBondContact O-N 2.95Å; L595-L598 VanDerWaalsContact O-N 3.07Å; L595-N599 PolarHBondContact O-N 2.94Å; L595-V600 CarbonylContact C-O 3.55Å; L595-V600 HydrophobicContact CD2-CB 4.43Å; L595-V600 HydrophobicContact CD2-CG1 4.45Å; L595-V600 PolarHBondContact O-N 3.23Å; L595-L604 HydrophobicContact CD1-CD1 4.45Å; L595-L604 HydrophobicContact CD2-CD1 4.39Å; L595-F609 HydrophobicContact CD1-CE2 4.37Å; L595-M612 HydrophobicContact CD2-CE 3.39Å; L595-M612 HydrophobicContact CD2-SD 3.97Å
596R94.3Very high91.7Very high132 Ų13250.9 Ų50.950%0.49827%0.272SS..Hα-helixtrans-59.3-41.4175.1-70.9171.3-170.7153.8-2.2112.2L592 N593 Y594 L598 N599 T602L592-R596 VanDerWaalsContact O-CG 3.3Å; L592-R596 WeakPolarHBondContact O-CG 3.4Å; L592-R596 PolarHBondContact O-N 3.38Å; N593-R596 PolarHBondContact OD1-NH1 2.83Å; Y594-R596 PolarHBondContact O-N 3.45Å; R596-L598 VanDerWaalsContact C-N 3.26Å; R596-L598 PolarHBondContact O-N 2.98Å; R596-N599 PolarHBondContact O-N 2.84Å; R596-N599 PolarHBondContact O-OD1 3.48Å; R596-T602 HydrophobicContact CG-CG2 4.49Å
597K91.6Very high91.6Very high169 Ų16957.8 Ų57.874%0.73530%0.301SS*.Hα-helixtrans-64.8-29.3175.7-76.7176.1-178.4-177.60113.1N593 Y594 L595 N599N593-K597 WeakPolarHBondContact O-CB 3.28Å; N593-K597 VanDerWaalsContact O-CG 3.28Å; N593-K597 WeakPolarHBondContact O-CG 3.29Å; N593-K597 PolarHBondContact O-N 3.11Å; Y594-K597 PolarHBondContact O-N 2.93Å; L595-K597 VanDerWaalsContact C-N 3.32Å; L595-K597 PolarHBondContact O-N 3.04Å; K597-N599 VanDerWaalsContact C-N 3.25Å
598L91.9Very high91.5Very high85 Ų8561.6 Ų61.645%0.44532%0.321SS..THydrogen-bonded Turntrans-83.92.8172.7-66.1179.5000113.1Y594 L595 R596 V600 M612Y594-L598 HydrophobicContact CD1-CD1 4.1Å; Y594-L598 HydrophobicContact CE1-CD1 3.49Å; Y594-L598 VanDerWaalsContact CE1-CD1 3.49Å; Y594-L598 HydrophobicContact CE1-CG 4.47Å; Y594-L598 HydrophobicContact CE2-CD1 4.12Å; Y594-L598 HydrophobicContact CE2-CG 4.43Å; Y594-L598 WeakPolarHBondContact O-CG 3.33Å; Y594-L598 PolarHBondContact O-N 3.4Å; L595-L598 CarbonylContact O-C 3.58Å; L595-L598 WeakPolarHBondContact O-CA 3.48Å; L595-L598 PolarHBondContact O-N 2.95Å; L595-L598 VanDerWaalsContact O-N 3.07Å; R596-L598 VanDerWaalsContact C-N 3.26Å; R596-L598 PolarHBondContact O-N 2.98Å; L598-V600 HydrophobicContact CB-CG2 3.93Å; L598-V600 PolarHBondContact O-N 3.09Å; L598-M612 HydrophobicContact CD1-CE 4.07Å
599N90.9Very high91.4Very high155 Ų15561.6 Ų61.683%0.82932%0.322SS*.THydrogen-bonded Turntrans56.832.7-172.8-60.5-33.8000113.6L595 R596 K597L595-N599 PolarHBondContact O-N 2.94Å; R596-N599 PolarHBondContact O-N 2.84Å; R596-N599 PolarHBondContact O-OD1 3.48Å; K597-N599 VanDerWaalsContact C-N 3.25Å
600V90.7Very high91.4Very high44 Ų4459.7 Ų59.727%0.26731%0.313SS..  trans-101.8137.9177-176.40000109.6L595 L598 L604 M612L595-V600 CarbonylContact C-O 3.55Å; L595-V600 HydrophobicContact CD2-CB 4.43Å; L595-V600 HydrophobicContact CD2-CG1 4.45Å; L595-V600 PolarHBondContact O-N 3.23Å; L598-V600 HydrophobicContact CB-CG2 3.93Å; L598-V600 PolarHBondContact O-N 3.09Å; V600-L604 HydrophobicContact CG1-CD1 3.84Å; V600-L604 HydrophobicContact CG1-CD2 3.78Å; V600-L604 HydrophobicContact CG1-CG 4.13Å; V600-M612 HydrophobicContact CG1-SD 4.35Å; V600-M612 HydrophobicContact CG2-CE 4.31Å
601S90.2Very high91.3Very high81 Ų8161.1 Ų61.157%0.56632%0.319SS*.  trans-59.3145.9174.2-1780000111G603 L604S601-G603 PolarHBondContact OG-N 3.21Å; S601-L604 WeakPolarHBondContact O-CG 3.46Å
602T86.6Confident91.1Very high24 Ų2463.2 Ų63.215%0.14733%0.329CS..SBendtrans-79.3-21.6176.159.30000112.7Q572 L592 R596 L604Q572-T602 PolarHBondContact NE2-O 2.87Å; Q572-T602 VanDerWaalsContact OE1-CB 3.31Å; Q572-T602 PolarHBondContact OE1-OG1 3.37Å; Q572-T602 VanDerWaalsContact OE1-OG1 3.05Å; L592-T602 HydrophobicContact CB-CG2 4.36Å; L592-T602 HydrophobicContact CD2-CG2 3.78Å; R596-T602 HydrophobicContact CG-CG2 4.49Å; T602-L604 VanDerWaalsContact C-N 3.3Å; T602-L604 PolarHBondContact O-N 3.09Å
603G86.1Confident91.1Very high35 Ų3563.1 Ų63.136%0.36133%0.329SS..SBendtrans-87.652.517800000113.1W567 S601W567-G603 WeakPolarHBondContact O-CA 3.43Å; S601-G603 PolarHBondContact OG-N 3.21Å
604L88.4Confident91.1Very high27 Ų2765 Ų6514%0.14133%0.331CS..  trans-72.7155.2178.9-71.3169000111.6W567 L595 V600 S601 T602 K606 N608 F609 M612W567-L604 WeakPolarHBondContact CB-O 3.28Å; L595-L604 HydrophobicContact CD1-CD1 4.45Å; L595-L604 HydrophobicContact CD2-CD1 4.39Å; V600-L604 HydrophobicContact CG1-CD1 3.84Å; V600-L604 HydrophobicContact CG1-CD2 3.78Å; V600-L604 HydrophobicContact CG1-CG 4.13Å; S601-L604 WeakPolarHBondContact O-CG 3.46Å; T602-L604 VanDerWaalsContact C-N 3.3Å; T602-L604 PolarHBondContact O-N 3.09Å; L604-K606 PolarHBondContact O-N 3.5Å; L604-N608 HydrophobicContact CB-CB 4.33Å; L604-F609 HydrophobicContact CB-CB 4.05Å; L604-M612 HydrophobicContact CD1-SD 3.68Å
605P90.2Very high91.1Very high86 Ų8668 Ų6856%0.55835%0.349SS*.  trans-54.3141.2163.7-22.933.3000110.7K607 N608 F609P605-K607 VanDerWaalsContact C-N 3.25Å; P605-K607 PolarHBondContact O-N 3.16Å; P605-N608 PolarHBondContact O-N 3.2Å; P605-F609 PolarHBondContact O-N 3.2Å
606K89.1Confident91Very high50 Ų5070.2 Ų70.222%0.21737%0.365CS..Hα-helixtrans-38.9-50.4-178.7174.6-178.6179.9-172.20114.1W567 L604 F609 T610 E639 D641W567-K606 HydrophobicContact CD2-CB 3.78Å; W567-K606 HydrophobicContact CD2-CG 3.97Å; W567-K606 HydrophobicContact CE3-CB 4.1Å; W567-K606 HydrophobicContact CE3-CG 3.82Å; W567-K606 HydrophobicContact CG-CB 4.23Å; W567-K606 HydrophobicContact CH2-CB 4.39Å; W567-K606 HydrophobicContact CH2-CD 3.57Å; W567-K606 HydrophobicContact CH2-CG 3.66Å; W567-K606 HydrophobicContact CZ2-CB 4.08Å; W567-K606 HydrophobicContact CZ2-CD 3.63Å; W567-K606 HydrophobicContact CZ2-CG 3.8Å; W567-K606 HydrophobicContact CZ3-CB 4.4Å; W567-K606 HydrophobicContact CZ3-CD 4.1Å; W567-K606 HydrophobicContact CZ3-CG 3.67Å; L604-K606 PolarHBondContact O-N 3.5Å; K606-F609 PolarHBondContact O-N 2.85Å; K606-T610 WeakPolarHBondContact O-CB 3.06Å; K606-T610 WeakPolarHBondContact O-CG2 3.24Å; K606-T610 PolarHBondContact O-N 2.91Å; K606-T610 PolarHBondContact O-OG1 3.36Å; K606-E639 IonicContact NZ-OE2 3.2Å; K606-E639 PolarHBondContact NZ-OE2 3.33Å; K606-D641 WeakPolarHBondContact CE-OD1 3.28Å; K606-D641 IonicContact NZ-OD1 3.52Å; K606-D641 PolarHBondContact NZ-OD1 3.46Å; K606-D641 IonicContact NZ-OD2 3.75Å
607K88.3Confident91.1Very high149 Ų14963.9 Ų63.965%0.64834%0.341SS*.Hα-helixtrans-61.2-49.1-178.7-173.4174.6-178.4176.80112P605 F609 T610 D611P605-K607 VanDerWaalsContact C-N 3.25Å; P605-K607 PolarHBondContact O-N 3.16Å; K607-F609 PolarHBondContact O-N 3.5Å; K607-T610 PolarHBondContact O-N 2.85Å; K607-T610 PolarHBondContact O-OG1 2.68Å; K607-D611 WeakPolarHBondContact CG-OD2 3.4Å; K607-D611 VanDerWaalsContact O-CB 3.27Å; K607-D611 WeakPolarHBondContact O-CB 3.23Å; K607-D611 VanDerWaalsContact O-CG 3.28Å; K607-D611 PolarHBondContact O-N 3.46Å
608N90.8Very high91.2Very high81 Ų8156 Ų5643%0.43331%0.307SS..Hα-helixtrans-65.6-40.6178.7-67.83000111.5L604 P605 T610 M612L604-N608 HydrophobicContact CB-CB 4.33Å; P605-N608 PolarHBondContact O-N 3.2Å; N608-T610 PolarHBondContact O-N 3.39Å; N608-M612 WeakPolarHBondContact O-CB 3.27Å; N608-M612 WeakPolarHBondContact O-CG 3.5Å; N608-M612 PolarHBondContact O-N 2.69Å
609F93.2Very high91.2Very high2 Ų258.1 Ų58.11%0.00931%0.312CS..Hα-helixtrans-59.7-46.6176.9-174-87.4000111.7W567 Y591 L595 L604 P605 K606 K607 L613W567-F609 HydrophobicContact CB-CB 3.91Å; W567-F609 HydrophobicContact CB-CD1 4.31Å; W567-F609 HydrophobicContact CB-CD2 4.03Å; W567-F609 HydrophobicContact CB-CG 3.83Å; Y591-F609 HydrophobicContact CD1-CE1 4.29Å; Y591-F609 HydrophobicContact CD1-CE2 4.14Å; Y591-F609 AromaticContact CD1-CZ 3.77Å; Y591-F609 HydrophobicContact CD1-CZ 3.77Å; Y591-F609 HydrophobicContact CE1-CD1 4.17Å; Y591-F609 HydrophobicContact CE1-CD2 4.01Å; Y591-F609 AromaticContact CE1-CE1 3.74Å; Y591-F609 HydrophobicContact CE1-CE1 3.74Å; Y591-F609 AromaticContact CE1-CE2 3.58Å; Y591-F609 HydrophobicContact CE1-CE2 3.58Å; Y591-F609 HydrophobicContact CE1-CG 4.3Å; Y591-F609 AromaticContact CE1-CZ 3.44Å; Y591-F609 HydrophobicContact CE1-CZ 3.44Å; Y591-F609 VanDerWaalsContact CE1-CZ 3.44Å; Y591-F609 PolarHBondContact OH-O 2.61Å; L595-F609 HydrophobicContact CD1-CE2 4.37Å; L604-F609 HydrophobicContact CB-CB 4.05Å; P605-F609 PolarHBondContact O-N 3.2Å; K606-F609 PolarHBondContact O-N 2.85Å; K607-F609 PolarHBondContact O-N 3.5Å; F609-L613 VanDerWaalsContact O-CB 3.29Å; F609-L613 WeakPolarHBondContact O-CB 3.46Å; F609-L613 PolarHBondContact O-N 2.92Å; F609-L613 VanDerWaalsContact O-N 3.08Å
610T90.9Very high91.2Very high9 Ų951.6 Ų51.66%0.05528%0.28CS..Hα-helixtrans-74.6-37.8-178.150.30000112.6K606 K607 N608 L613 R614K606-T610 WeakPolarHBondContact O-CB 3.06Å; K606-T610 WeakPolarHBondContact O-CG2 3.24Å; K606-T610 PolarHBondContact O-N 2.91Å; K606-T610 PolarHBondContact O-OG1 3.36Å; K607-T610 PolarHBondContact O-N 2.85Å; K607-T610 PolarHBondContact O-OG1 2.68Å; N608-T610 PolarHBondContact O-N 3.39Å; T610-L613 PolarHBondContact O-N 3.35Å; T610-R614 WeakPolarHBondContact O-CB 3.35Å; T610-R614 PolarHBondContact O-N 3.49Å
611D91Very high91Very high61 Ų6154.2 Ų54.233%0.32630%0.298SS..Hα-helixtrans-64.5-45.7175.4-77.5-26.6000111.5K607 L613 R614 N615K607-D611 WeakPolarHBondContact CG-OD2 3.4Å; K607-D611 VanDerWaalsContact O-CB 3.27Å; K607-D611 WeakPolarHBondContact O-CB 3.23Å; K607-D611 VanDerWaalsContact O-CG 3.28Å; K607-D611 PolarHBondContact O-N 3.46Å; D611-L613 VanDerWaalsContact C-N 3.34Å; D611-L613 PolarHBondContact O-N 3.48Å; D611-R614 PolarHBondContact O-N 3.02Å; D611-N615 VanDerWaalsContact O-CB 3.27Å; D611-N615 WeakPolarHBondContact O-CB 3.12Å; D611-N615 PolarHBondContact O-N 3.33Å
612M92.9Very high90.8Very high44 Ų4453.8 Ų53.822%0.21729%0.287CS..Hα-helixtrans-64.3-39.4175.5-75.6-173.775.400111.9Y591 L595 L598 V600 L604 N608 S616 F617Y591-M612 WeakPolarHBondContact OH-CB 3.31Å; L595-M612 HydrophobicContact CD2-CE 3.39Å; L595-M612 HydrophobicContact CD2-SD 3.97Å; L598-M612 HydrophobicContact CD1-CE 4.07Å; V600-M612 HydrophobicContact CG1-SD 4.35Å; V600-M612 HydrophobicContact CG2-CE 4.31Å; L604-M612 HydrophobicContact CD1-SD 3.68Å; N608-M612 WeakPolarHBondContact O-CB 3.27Å; N608-M612 WeakPolarHBondContact O-CG 3.5Å; N608-M612 PolarHBondContact O-N 2.69Å; M612-S616 WeakPolarHBondContact O-CA 3.1Å; M612-S616 VanDerWaalsContact O-CB 3.24Å; M612-S616 WeakPolarHBondContact O-CB 3.31Å; M612-S616 PolarHBondContact O-N 3.2Å; M612-S616 VanDerWaalsContact O-N 3.08Å; M612-F617 PolarHBondContact O-N 3.13Å
613L95.1Very high91Very high0 Ų053.9 Ų53.90%029%0.285CS..Hα-helixtrans-60-53176.5178.564000110.4W587 Y591 F609 T610 D611 F617 L618 I630 F632 V642W587-L613 HydrophobicContact CE3-CD1 3.94Å; W587-L613 HydrophobicContact CH2-CD2 4.34Å; W587-L613 HydrophobicContact CZ3-CD1 3.82Å; W587-L613 HydrophobicContact CZ3-CD2 3.87Å; Y591-L613 HydrophobicContact CD1-CD1 3.82Å; Y591-L613 HydrophobicContact CD2-CD1 4.12Å; Y591-L613 HydrophobicContact CE1-CB 3.94Å; Y591-L613 HydrophobicContact CE1-CD1 4.01Å; Y591-L613 HydrophobicContact CE1-CG 4.46Å; Y591-L613 HydrophobicContact CE2-CB 4.32Å; Y591-L613 HydrophobicContact CE2-CD1 4.34Å; Y591-L613 HydrophobicContact CG-CD1 3.86Å; Y591-L613 PolarHBondContact OH-N 3.36Å; Y591-L613 VanDerWaalsContact OH-N 3.11Å; F609-L613 VanDerWaalsContact O-CB 3.29Å; F609-L613 WeakPolarHBondContact O-CB 3.46Å; F609-L613 PolarHBondContact O-N 2.92Å; F609-L613 VanDerWaalsContact O-N 3.08Å; T610-L613 PolarHBondContact O-N 3.35Å; D611-L613 VanDerWaalsContact C-N 3.34Å; D611-L613 PolarHBondContact O-N 3.48Å; L613-F617 HydrophobicContact CD1-CD1 3.74Å; L613-F617 HydrophobicContact CD1-CE1 4.34Å; L613-L618 HydrophobicContact CD1-CG 4.37Å; L613-L618 HydrophobicContact CG-CD1 4.39Å; L613-L618 WeakPolarHBondContact O-CB 3.21Å; L613-L618 WeakPolarHBondContact O-CG 3.23Å; L613-L618 PolarHBondContact O-N 2.86Å; L613-I630 HydrophobicContact CD1-CD1 4.2Å; L613-I630 HydrophobicContact CD2-CD1 4.16Å; L613-I630 HydrophobicContact CG-CD1 4.47Å; L613-F632 HydrophobicContact CD2-CE1 4.05Å; L613-F632 HydrophobicContact CD2-CZ 4.08Å; L613-F632 HydrophobicContact CG-CZ 4.34Å; L613-V642 HydrophobicContact CD2-CG2 4.45Å
614R93.1Very high91Very high99 Ų9954.7 Ų54.737%0.37429%0.286SS..Hα-helixtrans-76.9-40.9-172.5-173.7177172.4-142.6-7.3114.1T610 D611T610-R614 WeakPolarHBondContact O-CB 3.35Å; T610-R614 PolarHBondContact O-N 3.49Å; D611-R614 PolarHBondContact O-N 3.02Å
615N92Very high90.7Very high94 Ų9455.1 Ų55.150%0.50329%0.287SS..Hα-helixtrans-102-17.4-168.7-57.4-34.8000113.1D611 K619D611-N615 VanDerWaalsContact O-CB 3.27Å; D611-N615 WeakPolarHBondContact O-CB 3.12Å; D611-N615 PolarHBondContact O-N 3.33Å; N615-K619 WeakPolarHBondContact O-CG 3.24Å
616S93.8Very high90.6Very high47 Ų4751.4 Ų51.433%0.32926%0.262SS..THydrogen-bonded Turntrans-113.7-64.2178-162.50000111.9Y594 M612 K619 A620Y594-S616 PolarHBondContact OH-OG 3.48Å; M612-S616 WeakPolarHBondContact O-CA 3.1Å; M612-S616 VanDerWaalsContact O-CB 3.24Å; M612-S616 WeakPolarHBondContact O-CB 3.31Å; M612-S616 PolarHBondContact O-N 3.2Å; M612-S616 VanDerWaalsContact O-N 3.08Å; S616-K619 PolarHBondContact O-N 3.04Å; S616-A620 PolarHBondContact O-N 2.95Å; S616-A620 VanDerWaalsContact O-N 3.15Å
617F95.7Very high90.5Very high0 Ų053.6 Ų53.60%027%0.273CS..G310 helixtrans-62.9-57.1-174.5174.5-102.8000112.2Y591 Y594 M612 L613 K619 A620 F623 F626Y591-F617 HydrophobicContact CD2-CB 3.58Å; Y591-F617 AromaticContact CD2-CD1 3.93Å; Y591-F617 HydrophobicContact CD2-CD1 3.93Å; Y591-F617 AromaticContact CD2-CD2 3.71Å; Y591-F617 HydrophobicContact CD2-CD2 3.71Å; Y591-F617 HydrophobicContact CD2-CE2 4.33Å; Y591-F617 AromaticContact CD2-CG 3.47Å; Y591-F617 HydrophobicContact CD2-CG 3.47Å; Y591-F617 VanDerWaalsContact CD2-CG 3.47Å; Y591-F617 HydrophobicContact CE2-CB 3.73Å; Y591-F617 HydrophobicContact CE2-CG 4.16Å; Y591-F617 HydrophobicContact CG-CD1 4.31Å; Y591-F617 HydrophobicContact CG-CD2 4.48Å; Y591-F617 HydrophobicContact CG-CG 4.26Å; Y594-F617 HydrophobicContact CD1-CB 4.04Å; Y594-F617 AromaticContact CD1-CD2 3.79Å; Y594-F617 HydrophobicContact CD1-CD2 3.79Å; Y594-F617 HydrophobicContact CD1-CG 4.38Å; Y594-F617 HydrophobicContact CD2-CD2 4.39Å; Y594-F617 HydrophobicContact CE1-CB 4.04Å; Y594-F617 HydrophobicContact CE1-CD2 4.44Å; Y594-F617 AromaticContact CG-CD2 3.73Å; Y594-F617 HydrophobicContact CG-CD2 3.73Å; Y594-F617 HydrophobicContact CG-CE2 4.42Å; M612-F617 PolarHBondContact O-N 3.13Å; L613-F617 HydrophobicContact CD1-CD1 3.74Å; L613-F617 HydrophobicContact CD1-CE1 4.34Å; F617-K619 PolarHBondContact O-N 3.1Å; F617-K619 VanDerWaalsContact O-N 3.12Å; F617-A620 WeakPolarHBondContact O-CB 3.15Å; F617-A620 PolarHBondContact O-N 3.21Å; F617-F623 HydrophobicContact CD1-CB 4.33Å; F617-F623 HydrophobicContact CD2-CB 4.04Å; F617-F623 HydrophobicContact CD2-CD1 4.47Å; F617-F623 AromaticContact CD2-CD2 3.27Å; F617-F623 HydrophobicContact CD2-CD2 3.27Å; F617-F623 AromaticContact CD2-CE2 3.73Å; F617-F623 HydrophobicContact CD2-CE2 3.73Å; F617-F623 AromaticContact CD2-CG 3.7Å; F617-F623 HydrophobicContact CD2-CG 3.7Å; F617-F623 HydrophobicContact CE1-CB 4.02Å; F617-F623 HydrophobicContact CE1-CG 4.36Å; F617-F623 HydrophobicContact CE2-CB 3.73Å; F617-F623 AromaticContact CE2-CD1 3.56Å; F617-F623 HydrophobicContact CE2-CD1 3.56Å; F617-F623 AromaticContact CE2-CD2 3.15Å; F617-F623 HydrophobicContact CE2-CD2 3.15Å; F617-F623 AromaticContact CE2-CE1 3.88Å; F617-F623 HydrophobicContact CE2-CE1 3.88Å; F617-F623 AromaticContact CE2-CE2 3.49Å; F617-F623 HydrophobicContact CE2-CE2 3.49Å; F617-F623 VanDerWaalsContact CE2-CE2 3.49Å; F617-F623 AromaticContact CE2-CG 3.19Å; F617-F623 HydrophobicContact CE2-CG 3.19Å; F617-F623 AromaticContact CE2-CZ 3.86Å; F617-F623 HydrophobicContact CE2-CZ 3.86Å; F617-F623 HydrophobicContact CG-CB 4.35Å; F617-F623 HydrophobicContact CG-CD2 4.23Å; F617-F623 HydrophobicContact CG-CG 4.48Å; F617-F623 HydrophobicContact CZ-CB 3.71Å; F617-F623 AromaticContact CZ-CD1 3.76Å; F617-F623 HydrophobicContact CZ-CD1 3.76Å; F617-F623 HydrophobicContact CZ-CD2 4.03Å; F617-F623 HydrophobicContact CZ-CE1 4.37Å; F617-F623 AromaticContact CZ-CG 3.57Å; F617-F623 HydrophobicContact CZ-CG 3.57Å; F617-F623 WeakPolarHBondContact O-CB 3.23Å; F617-F626 HydrophobicContact CE1-CB 4.41Å; F617-F626 HydrophobicContact CE1-CD2 4.04Å; F617-F626 AromaticContact CZ-CD2 3.83Å; F617-F626 HydrophobicContact CZ-CD2 3.83Å; F617-F626 HydrophobicContact CZ-CE2 4.32Å
618L93.7Very high90.2Very high3 Ų348.3 Ų48.32%0.01625%0.25CS..G310 helixtrans-68.4-10.2-179.3-66.9179.7000113.8L613 S624 F626 Q627 I630 F632L613-L618 HydrophobicContact CD1-CG 4.37Å; L613-L618 HydrophobicContact CG-CD1 4.39Å; L613-L618 WeakPolarHBondContact O-CB 3.21Å; L613-L618 WeakPolarHBondContact O-CG 3.23Å; L613-L618 PolarHBondContact O-N 2.86Å; L618-S624 WeakPolarHBondContact O-CA 3.28Å; L618-F626 HydrophobicContact CD2-CB 3.79Å; L618-Q627 HydrophobicContact CD1-CB 4.42Å; L618-Q627 HydrophobicContact CD1-CG 4.41Å; L618-Q627 HydrophobicContact CD2-CB 4.35Å; L618-I630 HydrophobicContact CD1-CD1 4.26Å; L618-I630 HydrophobicContact CD2-CD1 4.44Å; L618-F632 HydrophobicContact CD1-CE2 3.7Å; L618-F632 HydrophobicContact CD1-CZ 3.67Å
619K92.3Very high90.1Very high130 Ų13044.6 Ų44.657%0.56523%0.23SC*.G310 helixtrans-93.1-17173.1-63.3-54.5-177.2-170.20113.1N615 S616 F617N615-K619 WeakPolarHBondContact O-CG 3.24Å; S616-K619 PolarHBondContact O-N 3.04Å; F617-K619 PolarHBondContact O-N 3.1Å; F617-K619 VanDerWaalsContact O-N 3.12Å
620A91.2Very high90Very high17 Ų1744.9 Ų44.914%0.1423%0.232CC..SBendtrans-66.6132.2173.700000109.7S616 F617 Q622 F623 S624S616-A620 PolarHBondContact O-N 2.95Å; S616-A620 VanDerWaalsContact O-N 3.15Å; F617-A620 WeakPolarHBondContact O-CB 3.15Å; F617-A620 PolarHBondContact O-N 3.21Å; A620-Q622 HydrophobicContact CB-CG 4.19Å; A620-Q622 PolarHBondContact O-N 3.16Å; A620-Q622 VanDerWaalsContact O-N 3.15Å; A620-F623 HydrophobicContact CB-CD2 4.07Å; A620-F623 CarbonylContact O-C 3.48Å; A620-F623 PolarHBondContact O-N 3.49Å; A620-S624 PolarHBondContact O-N 2.92Å
621P85.6Confident90Very high100 Ų10047.2 Ų47.265%0.64924%0.243SC*.THydrogen-bonded Turntrans-56.3-39-175.320.4-32.1000112.2F623 S624P621-F623 PolarHBondContact O-N 3.47Å; P621-S624 PolarHBondContact O-OG 3.3Å
622Q86.7Confident90Very high71 Ų7147 Ų4733%0.33224%0.24SC..THydrogen-bonded Turntrans-62.4-20.2177.471.6-167-1.600114.6A620 H625A620-Q622 HydrophobicContact CB-CG 4.19Å; A620-Q622 PolarHBondContact O-N 3.16Å; A620-Q622 VanDerWaalsContact O-N 3.15Å; Q622-H625 PolarHBondContact O-CE1 3.22Å
623F90.7Very high89.7Confident26 Ų2647.4 Ų47.411%0.11425%0.247CC..THydrogen-bonded Turntrans-125-3.1-176.2-58.8-50.7000113.8Y594 F617 A620 P621 H625 F626Y594-F623 HydrophobicContact CD2-CD2 4.41Å; Y594-F623 AromaticContact CD2-CE2 3.71Å; Y594-F623 HydrophobicContact CD2-CE2 3.71Å; Y594-F623 HydrophobicContact CE2-CE2 4.43Å; Y594-F623 HydrophobicContact CG-CE2 4.15Å; F617-F623 HydrophobicContact CD1-CB 4.33Å; F617-F623 HydrophobicContact CD2-CB 4.04Å; F617-F623 HydrophobicContact CD2-CD1 4.47Å; F617-F623 AromaticContact CD2-CD2 3.27Å; F617-F623 HydrophobicContact CD2-CD2 3.27Å; F617-F623 AromaticContact CD2-CE2 3.73Å; F617-F623 HydrophobicContact CD2-CE2 3.73Å; F617-F623 AromaticContact CD2-CG 3.7Å; F617-F623 HydrophobicContact CD2-CG 3.7Å; F617-F623 HydrophobicContact CE1-CB 4.02Å; F617-F623 HydrophobicContact CE1-CG 4.36Å; F617-F623 HydrophobicContact CE2-CB 3.73Å; F617-F623 AromaticContact CE2-CD1 3.56Å; F617-F623 HydrophobicContact CE2-CD1 3.56Å; F617-F623 AromaticContact CE2-CD2 3.15Å; F617-F623 HydrophobicContact CE2-CD2 3.15Å; F617-F623 AromaticContact CE2-CE1 3.88Å; F617-F623 HydrophobicContact CE2-CE1 3.88Å; F617-F623 AromaticContact CE2-CE2 3.49Å; F617-F623 HydrophobicContact CE2-CE2 3.49Å; F617-F623 VanDerWaalsContact CE2-CE2 3.49Å; F617-F623 AromaticContact CE2-CG 3.19Å; F617-F623 HydrophobicContact CE2-CG 3.19Å; F617-F623 AromaticContact CE2-CZ 3.86Å; F617-F623 HydrophobicContact CE2-CZ 3.86Å; F617-F623 HydrophobicContact CG-CB 4.35Å; F617-F623 HydrophobicContact CG-CD2 4.23Å; F617-F623 HydrophobicContact CG-CG 4.48Å; F617-F623 HydrophobicContact CZ-CB 3.71Å; F617-F623 AromaticContact CZ-CD1 3.76Å; F617-F623 HydrophobicContact CZ-CD1 3.76Å; F617-F623 HydrophobicContact CZ-CD2 4.03Å; F617-F623 HydrophobicContact CZ-CE1 4.37Å; F617-F623 AromaticContact CZ-CG 3.57Å; F617-F623 HydrophobicContact CZ-CG 3.57Å; F617-F623 WeakPolarHBondContact O-CB 3.23Å; A620-F623 HydrophobicContact CB-CD2 4.07Å; A620-F623 CarbonylContact O-C 3.48Å; A620-F623 PolarHBondContact O-N 3.49Å; P621-F623 PolarHBondContact O-N 3.47Å; F623-H625 PolarHBondContact O-N 3.08Å; F623-H625 VanDerWaalsContact O-N 3.13Å; F623-F626 HydrophobicContact CB-CD2 4.16Å; F623-F626 HydrophobicContact CD1-CD2 4.14Å; F623-F626 AromaticContact CD1-CE2 3.95Å; F623-F626 HydrophobicContact CD1-CE2 3.95Å; F623-F626 WeakPolarHBondContact O-CB 3.36Å; F623-F626 PolarHBondContact O-N 3.45Å
624S87Confident89Confident53 Ų5353.7 Ų53.737%0.37128%0.275SS..G310 helixtrans-54.8-33.2-177.4600000114.1L618 A620 P621 F626 Q627L618-S624 WeakPolarHBondContact O-CA 3.28Å; A620-S624 PolarHBondContact O-N 2.92Å; P621-S624 PolarHBondContact O-OG 3.3Å; S624-F626 VanDerWaalsContact C-N 3.25Å; S624-F626 PolarHBondContact O-N 3.16Å; S624-Q627 VanDerWaalsContact O-CB 3.29Å; S624-Q627 WeakPolarHBondContact O-CB 3.25Å; S624-Q627 PolarHBondContact O-N 3.28Å; S624-Q627 VanDerWaalsContact O-N 3.16Å
625H81Confident88.2Confident36 Ų3654.5 Ų54.517%0.16728%0.281CS..G310 helixtrans-59.5-32.3175.463.6-76.5000112.7H81 Q622 F623 Q627H81-H625 PolarHBondContact CE1-O 3.18Å; H81-H625 PolarHBondContact NE2-O 3.48Å; Q622-H625 PolarHBondContact O-CE1 3.22Å; F623-H625 PolarHBondContact O-N 3.08Å; F623-H625 VanDerWaalsContact O-N 3.13Å; H625-Q627 PolarHBondContact O-N 2.96Å
626F88.3Confident87.3Confident8 Ų861.4 Ų61.44%0.03530%0.301CS..G310 helixtrans-66.5-8.1178.7-69.2-51.5000114.3W587 F617 L618 F623 S624 E628 D629W587-F626 HydrophobicContact CB-CB 3.57Å; W587-F626 HydrophobicContact CB-CD1 3.53Å; W587-F626 HydrophobicContact CB-CD2 4.07Å; W587-F626 HydrophobicContact CB-CE1 4.2Å; W587-F626 HydrophobicContact CB-CG 3.47Å; W587-F626 VanDerWaalsContact CB-CG 3.47Å; F617-F626 HydrophobicContact CE1-CB 4.41Å; F617-F626 HydrophobicContact CE1-CD2 4.04Å; F617-F626 AromaticContact CZ-CD2 3.83Å; F617-F626 HydrophobicContact CZ-CD2 3.83Å; F617-F626 HydrophobicContact CZ-CE2 4.32Å; L618-F626 HydrophobicContact CD2-CB 3.79Å; F623-F626 HydrophobicContact CB-CD2 4.16Å; F623-F626 HydrophobicContact CD1-CD2 4.14Å; F623-F626 AromaticContact CD1-CE2 3.95Å; F623-F626 HydrophobicContact CD1-CE2 3.95Å; F623-F626 WeakPolarHBondContact O-CB 3.36Å; F623-F626 PolarHBondContact O-N 3.45Å; S624-F626 VanDerWaalsContact C-N 3.25Å; S624-F626 PolarHBondContact O-N 3.16Å; F626-E628 PolarHBondContact O-N 3.47Å; F626-D629 WeakPolarHBondContact CD1-OD2 3.39Å; F626-D629 PolarHBondContact O-N 2.88Å; F626-D629 VanDerWaalsContact O-N 3.09Å
627Q87.9Confident86.2Confident96 Ų9665.6 Ų65.645%0.44932%0.32SS..G310 helixtrans-60.6-32.1-178.8-175.1-179.6-35.300112.5L618 S624 H625 D629L618-Q627 HydrophobicContact CD1-CB 4.42Å; L618-Q627 HydrophobicContact CD1-CG 4.41Å; L618-Q627 HydrophobicContact CD2-CB 4.35Å; S624-Q627 VanDerWaalsContact O-CB 3.29Å; S624-Q627 WeakPolarHBondContact O-CB 3.25Å; S624-Q627 PolarHBondContact O-N 3.28Å; S624-Q627 VanDerWaalsContact O-N 3.16Å; H625-Q627 PolarHBondContact O-N 2.96Å; Q627-D629 VanDerWaalsContact C-N 3.33Å
628E81.8Confident85.1Confident37 Ų3771.8 Ų71.817%0.17335%0.353CS..G310 helixtrans-84.6-9.8179.9-52.6-171.3179.600113.3S79 K80 H81 N144 F626 I630S79-E628 WeakPolarHBondContact CA-OE2 3.32Å; K80-E628 PolarHBondContact N-OE2 2.88Å; H81-E628 VanDerWaalsContact CE1-CB 3.46Å; H81-E628 WeakPolarHBondContact CE1-CB 3.25Å; H81-E628 IonicContact CE1-OE2 3.31Å; H81-E628 IonicContact ND1-OE2 3.58Å; H81-E628 PolarHBondContact ND1-OE2 3.48Å; N144-E628 PolarHBondContact ND2-OE1 3.4Å; F626-E628 PolarHBondContact O-N 3.47Å; E628-I630 PolarHBondContact O-N 2.98Å
629D87.4Confident84.4Confident3 Ų375.9 Ų75.92%0.01637%0.372CS..G310 helixtrans-83.3-1176.2-60.2-34.9000112.1H81 F626 Q627 S645 R646H81-D629 IonicContact NE2-OD1 2.65Å; H81-D629 IonicContact NE2-OD2 3.99Å; F626-D629 WeakPolarHBondContact CD1-OD2 3.39Å; F626-D629 PolarHBondContact O-N 2.88Å; F626-D629 VanDerWaalsContact O-N 3.09Å; Q627-D629 VanDerWaalsContact C-N 3.33Å; D629-S645 CarbonylContact O-C 3.5Å; D629-S645 WeakPolarHBondContact O-CA 3.41Å; D629-S645 WeakPolarHBondContact O-CB 3.37Å; D629-R646 HydrophobicContact CB-CG 3.87Å; D629-R646 PolarHBondContact O-N 3.44Å; D629-R646 IonicContact OD1-CZ 3.73Å; D629-R646 VanDerWaalsContact OD1-CZ 3.25Å; D629-R646 IonicContact OD1-NE 3.57Å; D629-R646 PolarHBondContact OD1-NE 2.76Å; D629-R646 IonicContact OD1-NH2 2.66Å; D629-R646 PolarHBondContact OD1-NH2 2.7Å
630I91.7Very high84Confident9 Ų970.4 Ų70.45%0.04635%0.35CS..EExtended strand (participates in β ladder)trans-132124.4-174.8-49.7177.2000109.7W587 L613 L618 E628 F632 V642W587-I630 HydrophobicContact CD2-CD1 3.41Å; W587-I630 VanDerWaalsContact CD2-CD1 3.41Å; W587-I630 HydrophobicContact CD2-CG1 3.84Å; W587-I630 HydrophobicContact CE3-CD1 3.48Å; W587-I630 VanDerWaalsContact CE3-CD1 3.48Å; W587-I630 HydrophobicContact CE3-CG1 4.39Å; W587-I630 HydrophobicContact CG-CD1 3.89Å; W587-I630 HydrophobicContact CG-CG1 4.04Å; W587-I630 HydrophobicContact CH2-CD1 4.19Å; W587-I630 HydrophobicContact CZ2-CD1 4.13Å; W587-I630 HydrophobicContact CZ2-CG1 4.25Å; W587-I630 HydrophobicContact CZ3-CD1 3.88Å; L613-I630 HydrophobicContact CD1-CD1 4.2Å; L613-I630 HydrophobicContact CD2-CD1 4.16Å; L613-I630 HydrophobicContact CG-CD1 4.47Å; L618-I630 HydrophobicContact CD1-CD1 4.26Å; L618-I630 HydrophobicContact CD2-CD1 4.44Å; E628-I630 PolarHBondContact O-N 2.98Å; I630-F632 HydrophobicContact CB-CE2 3.91Å; I630-F632 HydrophobicContact CB-CZ 4.01Å; I630-F632 HydrophobicContact CD1-CZ 4.25Å; I630-F632 HydrophobicContact CG2-CD1 4.17Å; I630-F632 HydrophobicContact CG2-CD2 4.19Å; I630-F632 HydrophobicContact CG2-CE1 3.71Å; I630-F632 HydrophobicContact CG2-CE2 3.71Å; I630-F632 HydrophobicContact CG2-CG 4.41Å; I630-F632 HydrophobicContact CG2-CZ 3.46Å; I630-F632 VanDerWaalsContact CG2-CZ 3.46Å; I630-V642 HydrophobicContact CG2-CB 4.39Å; I630-V642 HydrophobicContact CG2-CG1 3.68Å; I630-V642 HydrophobicContact CG2-CG2 3.94Å
631I90.5Very high83.8Confident57 Ų5770 Ų7029%0.29235%0.345SS..EExtended strand (participates in β ladder)trans-98.5109.4173.9-54.9-176.5000108.4L73 F74 V643 A644L73-I631 WeakPolarHBondContact O-CD1 3.24Å; F74-I631 HydrophobicContact CD1-CD1 4.34Å; F74-I631 HydrophobicContact CD1-CG1 4.49Å; F74-I631 HydrophobicContact CE1-CD1 3.93Å; F74-I631 HydrophobicContact CE1-CG1 3.78Å; F74-I631 HydrophobicContact CE2-CD1 4.41Å; F74-I631 HydrophobicContact CZ-CD1 3.95Å; F74-I631 HydrophobicContact CZ-CG1 4.01Å; I631-V643 PolarHBondContact O-N 3.09Å; I631-A644 HydrophobicContact CB-CB 4.34Å; I631-A644 HydrophobicContact CD1-CB 4.14Å; I631-A644 HydrophobicContact CG1-CB 4.42Å; I631-A644 PolarHBondContact N-O 3.24Å
632F90.6Very high84Confident56 Ų5665.4 Ų65.425%0.24632%0.316CS..EExtended strand (participates in β ladder)trans-89.6140.4175.2-62.9-75.8000111.1L613 L618 I630 V640 D641 V642L613-F632 HydrophobicContact CD2-CE1 4.05Å; L613-F632 HydrophobicContact CD2-CZ 4.08Å; L613-F632 HydrophobicContact CG-CZ 4.34Å; L618-F632 HydrophobicContact CD1-CE2 3.7Å; L618-F632 HydrophobicContact CD1-CZ 3.67Å; I630-F632 HydrophobicContact CB-CE2 3.91Å; I630-F632 HydrophobicContact CB-CZ 4.01Å; I630-F632 HydrophobicContact CD1-CZ 4.25Å; I630-F632 HydrophobicContact CG2-CD1 4.17Å; I630-F632 HydrophobicContact CG2-CD2 4.19Å; I630-F632 HydrophobicContact CG2-CE1 3.71Å; I630-F632 HydrophobicContact CG2-CE2 3.71Å; I630-F632 HydrophobicContact CG2-CG 4.41Å; I630-F632 HydrophobicContact CG2-CZ 3.46Å; I630-F632 VanDerWaalsContact CG2-CZ 3.46Å; F632-V640 HydrophobicContact CB-CG1 3.97Å; F632-V640 HydrophobicContact CD1-CG1 3.68Å; F632-V640 HydrophobicContact CG-CG1 4.18Å; F632-D641 WeakPolarHBondContact CA-O 3.36Å; F632-V642 HydrophobicContact CD1-CG2 4.17Å; F632-V642 HydrophobicContact CE1-CG2 3.9Å
633S87.6Confident84.2Confident54 Ų5464.9 Ų64.938%0.37832%0.317SS..EExtended strand (participates in β ladder)trans-124.2142.4166.5-178.80000110.5V640 D641S633-V640 WeakPolarHBondContact O-CA 3.28Å; S633-D641 PolarHBondContact N-O 2.88Å; S633-D641 PolarHBondContact O-N 3.26Å
634K81.4Confident84.2Confident132 Ų13263.7 Ų63.757%0.57431%0.312SS*.EExtended strand (participates in β ladder)trans-96.8124.1172.4-72-174.1173.1-166.10109.2V640K634-V640 HydrophobicContact CG-CG2 4.27Å
635K75.9Confident84.5Confident115 Ų11561.2 Ų61.250%0.529%0.294SS..  trans-83.5167.7168.5-75.2179.9169.5165.70110.8N637 D638 E639 D641K635-N637 PolarHBondContact O-N 3.01Å; K635-N637 VanDerWaalsContact O-N 3.13Å; K635-D638 PolarHBondContact O-N 3.35Å; K635-D638 VanDerWaalsContact O-N 3.14Å; K635-E639 PolarHBondContact N-O 2.66Å; K635-D641 VanDerWaalsContact CD-OD2 3.3Å; K635-D641 WeakPolarHBondContact CD-OD2 3.48Å; K635-D641 WeakPolarHBondContact CE-OD2 3.26Å; K635-D641 IonicContact NZ-OD2 2.73Å; K635-D641 PolarHBondContact NZ-OD2 3.05Å
636Y72.7Confident84.9Confident239 Ų23959.6 Ų59.694%0.93729%0.287SS*.THydrogen-bonded Turntrans-54.7-29.2179.6-69.3-79.8000114.2D638Y636-D638 PolarHBondContact O-N 2.97Å
637N71Confident85Confident135 Ų13559.3 Ų59.372%0.72229%0.286SS*.THydrogen-bonded Turntrans-84.618.5-179.7-69.63000114.1K635 E639K635-N637 PolarHBondContact O-N 3.01Å; K635-N637 VanDerWaalsContact O-N 3.13Å; N637-E639 HydrophobicContact CB-CG 4.25Å; N637-E639 PolarHBondContact O-N 3.33Å
638D72.3Confident85Confident130 Ų13054.9 Ų54.970%0.69527%0.265SS*.SBendtrans57.68.8-168.3-81.4-44.1000114.8K635 Y636 V640K635-D638 PolarHBondContact O-N 3.35Å; K635-D638 VanDerWaalsContact O-N 3.14Å; Y636-D638 PolarHBondContact O-N 2.97Å; D638-V640 PolarHBondContact O-N 3.13Å
639E78.5Confident85.4Confident89 Ų8953.1 Ų53.142%0.41626%0.257SS..  trans-69.6129.1172.1-71.4-169.5-166.400110.5K606 K635 N637K606-E639 IonicContact NZ-OE2 3.2Å; K606-E639 PolarHBondContact NZ-OE2 3.33Å; K635-E639 PolarHBondContact N-O 2.66Å; N637-E639 HydrophobicContact CB-CG 4.25Å; N637-E639 PolarHBondContact O-N 3.33Å
640V84.5Confident85.4Confident16 Ų1653 Ų5310%0.09726%0.256CS..EExtended strand (participates in β ladder)trans-98.2121.8176.2-175.40000108.8F632 S633 K634 D638F632-V640 HydrophobicContact CB-CG1 3.97Å; F632-V640 HydrophobicContact CD1-CG1 3.68Å; F632-V640 HydrophobicContact CG-CG1 4.18Å; S633-V640 WeakPolarHBondContact O-CA 3.28Å; K634-V640 HydrophobicContact CG-CG2 4.27Å; D638-V640 PolarHBondContact O-N 3.13Å
641D86.3Confident85.2Confident8 Ų853.1 Ų53.14%0.04326%0.259CS..EExtended strand (participates in β ladder)trans-108.8148.4173.9-75.8-20.8000111K606 F632 S633 K635 V643K606-D641 WeakPolarHBondContact CE-OD1 3.28Å; K606-D641 IonicContact NZ-OD1 3.52Å; K606-D641 PolarHBondContact NZ-OD1 3.46Å; K606-D641 IonicContact NZ-OD2 3.75Å; F632-D641 WeakPolarHBondContact CA-O 3.36Å; S633-D641 PolarHBondContact N-O 2.88Å; S633-D641 PolarHBondContact O-N 3.26Å; K635-D641 VanDerWaalsContact CD-OD2 3.3Å; K635-D641 WeakPolarHBondContact CD-OD2 3.48Å; K635-D641 WeakPolarHBondContact CE-OD2 3.26Å; K635-D641 IonicContact NZ-OD2 2.73Å; K635-D641 PolarHBondContact NZ-OD2 3.05Å; D641-V643 PolarHBondContact O-N 3.41Å
642V90.4Very high85Confident4 Ų458.4 Ų58.42%0.02428%0.279CS..EExtended strand (participates in β ladder)trans-85.9104.8167.5177.40000107S563 Y566 L613 I630 F632S563-V642 VanDerWaalsContact CA-O 3.29Å; S563-V642 WeakPolarHBondContact CA-O 3.33Å; S563-V642 PolarHBondContact OG-O 2.9Å; Y566-V642 HydrophobicContact CD2-CB 4.17Å; Y566-V642 HydrophobicContact CD2-CG1 4.25Å; Y566-V642 HydrophobicContact CD2-CG2 4.41Å; Y566-V642 HydrophobicContact CE2-CB 4.01Å; Y566-V642 HydrophobicContact CE2-CG1 3.63Å; L613-V642 HydrophobicContact CD2-CG2 4.45Å; I630-V642 HydrophobicContact CG2-CB 4.39Å; I630-V642 HydrophobicContact CG2-CG1 3.68Å; I630-V642 HydrophobicContact CG2-CG2 3.94Å; F632-V642 HydrophobicContact CD1-CG2 4.17Å; F632-V642 HydrophobicContact CE1-CG2 3.9Å
643V90Very high84.3Confident60 Ų6056.7 Ų56.736%0.36427%0.274SS..EExtended strand (participates in β ladder)trans-77.9-40.1-177177.40000111.5E562 S563 I631 D641E562-V643 CarbonylContact C-O 3.6Å; S563-V643 PolarHBondContact N-O 3.2Å; I631-V643 PolarHBondContact O-N 3.09Å; D641-V643 PolarHBondContact O-N 3.41Å
644A91.6Very high83.3Confident1 Ų162.3 Ų62.31%0.00830%0.296CS..EExtended strand (participates in β ladder)trans-150.2152177.200000108.8L73 F74 I560 I631L73-A644 HydrophobicContact CD2-CB 4.5Å; F74-A644 HydrophobicContact CZ-CB 4.39Å; I560-A644 CarbonylContact O-C 3.59Å; I560-A644 WeakPolarHBondContact O-CA 3.26Å; I560-A644 WeakPolarHBondContact O-CB 3.15Å; I631-A644 HydrophobicContact CB-CB 4.34Å; I631-A644 HydrophobicContact CD1-CB 4.14Å; I631-A644 HydrophobicContact CG1-CB 4.42Å; I631-A644 PolarHBondContact N-O 3.24Å
645S92.5Very high82.3Confident0 Ų062.2 Ų62.20%030%0.298CS..EExtended strand (participates in β ladder)trans-144.9161.2170.181.20000111I560 Y566 W587 D629I560-S645 PolarHBondContact N-O 3.45Å; I560-S645 PolarHBondContact O-N 3.5Å; I560-S645 VanDerWaalsContact O-O 3.13Å; Y566-S645 PolarHBondContact OH-OG 2.91Å; W587-S645 PolarHBondContact NE1-OG 3.47Å; D629-S645 CarbonylContact O-C 3.5Å; D629-S645 WeakPolarHBondContact O-CA 3.41Å; D629-S645 WeakPolarHBondContact O-CB 3.37Å
646R90.2Very high81.4Confident2 Ų259.4 Ų59.41%0.00829%0.29CS..EExtended strand (participates in β ladder)trans-128.6154.3174.166.6179.4-173.9-176.55.9111.1F74 F558 Y559 W587 D629F74-R646 HydrophobicContact CD1-CG 4.19Å; F74-R646 HydrophobicContact CD2-CB 4.48Å; F74-R646 HydrophobicContact CE1-CB 4.38Å; F74-R646 HydrophobicContact CE1-CG 3.89Å; F74-R646 HydrophobicContact CE2-CB 4.02Å; F74-R646 HydrophobicContact CE2-CG 4.36Å; F74-R646 HydrophobicContact CZ-CB 3.97Å; F74-R646 HydrophobicContact CZ-CG 3.99Å; F558-R646 CarbonylContact O-C 3.56Å; F558-R646 VanDerWaalsContact O-CA 3.27Å; F558-R646 WeakPolarHBondContact O-CA 3.31Å; Y559-R646 HydrophobicContact CD1-CB 3.53Å; Y559-R646 HydrophobicContact CE1-CB 3.89Å; Y559-R646 HydrophobicContact CG-CB 4.29Å; W587-R646 VanDerWaalsContact CD1-O 3.25Å; D629-R646 HydrophobicContact CB-CG 3.87Å; D629-R646 PolarHBondContact O-N 3.44Å; D629-R646 IonicContact OD1-CZ 3.73Å; D629-R646 VanDerWaalsContact OD1-CZ 3.25Å; D629-R646 IonicContact OD1-NE 3.57Å; D629-R646 PolarHBondContact OD1-NE 2.76Å; D629-R646 IonicContact OD1-NH2 2.66Å; D629-R646 PolarHBondContact OD1-NH2 2.7Å
647M89.6Confident80.9Confident2 Ų251.7 Ų51.71%0.0127%0.265CS..EExtended strand (participates in β ladder)trans-143.5167.8168.764.8-169.884.600108.6F558 I560 V575 T579 L649F558-M647 HydrophobicContact CB-CG 3.74Å; F558-M647 HydrophobicContact CD1-CE 3.84Å; F558-M647 HydrophobicContact CD1-CG 3.71Å; F558-M647 HydrophobicContact CD1-SD 3.91Å; F558-M647 HydrophobicContact CE1-CE 4.03Å; F558-M647 HydrophobicContact CE1-SD 4.37Å; F558-M647 HydrophobicContact CG-CG 4.03Å; F558-M647 PolarHBondContact N-O 2.99Å; F558-M647 PolarHBondContact O-N 2.87Å; I560-M647 HydrophobicContact CD1-CE 3.82Å; V575-M647 HydrophobicContact CG1-CE 3.96Å; T579-M647 HydrophobicContact CG2-SD 3.85Å; M647-L649 HydrophobicContact CG-CD2 4.5Å
648F89Confident80.6Confident3 Ų349.7 Ų49.71%0.01325%0.248CC..EExtended strand (participates in β ladder)trans-119.9136.9-178.9-56.3-81.8000111.2L83 D86 V555 I556 I585L83-F648 HydrophobicContact CD2-CD2 4.48Å; D86-F648 VanDerWaalsContact CG-CZ 3.47Å; D86-F648 WeakPolarHBondContact OD1-CE1 3.44Å; D86-F648 WeakPolarHBondContact OD1-CZ 3.47Å; V555-F648 HydrophobicContact CG1-CB 3.62Å; V555-F648 HydrophobicContact CG1-CD1 4.05Å; V555-F648 HydrophobicContact CG1-CG 4.19Å; I556-F648 WeakPolarHBondContact O-CA 3.37Å; I585-F648 HydrophobicContact CB-CB 4.13Å; I585-F648 HydrophobicContact CD1-CB 4.32Å; I585-F648 PolarHBondContact N-O 3.14Å; I585-F648 PolarHBondContact O-N 2.91Å
649L89.7Confident80.5Confident0 Ų050.5 Ų50.50%025%0.247CC..EExtended strand (participates in β ladder)trans-120.8137.2-176.5-54.2-179.3000109.3I556 F558 T579 F582 R584 M647I556-L649 HydrophobicContact CB-CB 4.5Å; I556-L649 PolarHBondContact N-O 3.41Å; I556-L649 PolarHBondContact O-N 2.87Å; F558-L649 HydrophobicContact CB-CD1 3.83Å; F558-L649 HydrophobicContact CB-CG 3.96Å; F558-L649 HydrophobicContact CD2-CD1 3.58Å; F558-L649 HydrophobicContact CE2-CD1 4.43Å; F558-L649 HydrophobicContact CG-CD1 3.99Å; T579-L649 HydrophobicContact CG2-CD1 4.05Å; T579-L649 HydrophobicContact CG2-CD2 3.76Å; F582-L649 HydrophobicContact CB-CB 4.03Å; F582-L649 HydrophobicContact CB-CD2 4.16Å; F582-L649 HydrophobicContact CD1-CB 3.82Å; F582-L649 HydrophobicContact CD2-CD1 4.38Å; F582-L649 HydrophobicContact CE1-CB 4.48Å; F582-L649 HydrophobicContact CG-CB 3.96Å; F582-L649 HydrophobicContact CG-CD1 4.37Å; R584-L649 HydrophobicContact CG-CD2 3.77Å; M647-L649 HydrophobicContact CG-CD2 4.5Å
650V88.2Confident80.3Confident0 Ų050.2 Ų50.20%025%0.246CC..EExtended strand (participates in β ladder)trans-129.5122.2172.7-166.50000109.4Y187 Y552 S553 V555 V583Y187-V650 HydrophobicContact CD2-CG2 4.35Å; Y187-V650 HydrophobicContact CE1-CG2 4.4Å; Y187-V650 HydrophobicContact CE2-CB 4.16Å; Y187-V650 HydrophobicContact CE2-CG1 4.27Å; Y187-V650 HydrophobicContact CE2-CG2 3.88Å; Y187-V650 WeakPolarHBondContact OH-CG1 3.42Å; Y552-V650 HydrophobicContact CD1-CG1 3.88Å; Y552-V650 HydrophobicContact CG-CG1 4.11Å; S553-V650 WeakPolarHBondContact O-CG1 3.46Å; V555-V650 HydrophobicContact CB-CG2 4.13Å; V555-V650 HydrophobicContact CG1-CG2 4.01Å; V555-V650 HydrophobicContact CG2-CG2 3.8Å; V583-V650 HydrophobicContact CB-CB 4.26Å; V583-V650 PolarHBondContact N-O 3.38Å; V583-V650 PolarHBondContact O-N 3.5Å
651A87.5Confident79.8Confident13 Ų1350.5 Ų50.511%0.10725%0.247CC..  trans-84.3140.9174.900000109.6Y552 S553 F582 L664Y552-A651 CarbonylContact C-O 3.45Å; Y552-A651 WeakPolarHBondContact CA-O 3.43Å; S553-A651 PolarHBondContact N-O 3.49Å; S553-A651 PolarHBondContact OG-N 3.23Å; F582-A651 HydrophobicContact CD1-CB 3.96Å; F582-A651 HydrophobicContact CE1-CB 3.84Å; A651-L664 HydrophobicContact CB-CD2 3.67Å
652K84.8Confident79.4Confident167 Ų16754 Ų5473%0.72626%0.26SS*.BIsolated β-bridgetrans-79.7126.8169.8-171.9176.6-179179.90108.5Y552Y552-K652 HydrophobicContact CD1-CB 4.34Å; Y552-K652 HydrophobicContact CE1-CB 4.07Å; Y552-K652 HydrophobicContact CE1-CG 4.15Å
653T75.7Confident78.9Confident21 Ų2158.4 Ų58.413%0.12928%0.283CS..  trans-115.6147.3-179.852.70000109.2S550 N551 Y552S550-T653 PolarHBondContact O-OG1 3.36Å; N551-T653 CarbonylContact C-O 3.55Å; N551-T653 PolarHBondContact O-N 3.49Å; N551-T653 VanDerWaalsContact O-O 3.07Å; N551-T653 PolarHBondContact O-OG1 3.03Å; Y552-T653 WeakPolarHBondContact CA-OG1 3.23Å; Y552-T653 PolarHBondContact N-OG1 2.81Å; Y552-T653 VanDerWaalsContact N-OG1 3.17Å
654M66.5Low78.5Confident171 Ų17157.2 Ų57.284%0.84228%0.275SS*.SBendtrans-81.6-45.3176.6-72.1-174.760.100110.6
655E62.3Low78Confident130 Ų13057.2 Ų57.261%0.60728%0.275SS*.SBendtrans-138.2141.2163.6-64.9-174.5159.100105.1N657E655-N657 PolarHBondContact O-N 2.79Å
656T56.1Low77.5Confident56 Ų5660 Ų6034%0.34429%0.287SS..  trans-69.377.7173.243.20000109.3S550 R658S550-T656 WeakPolarHBondContact CB-OG1 3.23Å; S550-T656 WeakPolarHBondContact O-CG2 3.31Å; S550-T656 PolarHBondContact O-N 3.39Å; T656-R658 PolarHBondContact O-N 2.88Å
657N61.6Low77.4Confident78 Ų7863.5 Ų63.542%0.41731%0.309SS..  trans-73.6120.6162.9-75.7-18.5000106.5E655 E659 E660 L661E655-N657 PolarHBondContact O-N 2.79Å; N657-E659 PolarHBondContact O-N 2.72Å; N657-E659 VanDerWaalsContact O-N 3.14Å; N657-E660 HydrophobicContact CB-CB 4.39Å; N657-E660 HydrophobicContact CB-CG 3.98Å; N657-E660 WeakPolarHBondContact O-CB 3.48Å; N657-E660 PolarHBondContact O-N 2.99Å; N657-L661 PolarHBondContact O-N 3.16Å
658R66.2Low77.2Confident93 Ų9363.6 Ų63.635%0.35131%0.31SS..Hα-helixtrans-56.9-28.7179-178.5162.657.371.1-2111.5E524 S526 T656 L661 Y662 M689E524-R658 PolarHBondContact O-NH2 3.4Å; E524-R658 VanDerWaalsContact O-NH2 3.07Å; S526-R658 WeakPolarHBondContact OG-CD 3.16Å; S526-R658 PolarHBondContact OG-NE 3.36Å; S526-R658 PolarHBondContact OG-NH1 3.43Å; T656-R658 PolarHBondContact O-N 2.88Å; R658-L661 PolarHBondContact O-N 3.46Å; R658-Y662 PolarHBondContact O-N 3.5Å; R658-M689 HydrophobicContact CG-CE 3.75Å; R658-M689 HydrophobicContact CG-SD 4.43Å
659E68.6Low77.1Confident146 Ų14664.2 Ų64.268%0.68231%0.312SS*.Hα-helixtrans-61.8-47.4170.9-63.5-177.216900112.2N657 L661 Y662 D663N657-E659 PolarHBondContact O-N 2.72Å; N657-E659 VanDerWaalsContact O-N 3.14Å; E659-L661 VanDerWaalsContact C-N 3.26Å; E659-L661 PolarHBondContact O-N 3.35Å; E659-Y662 WeakPolarHBondContact O-CB 3.29Å; E659-Y662 PolarHBondContact O-N 3.49Å; E659-Y662 VanDerWaalsContact O-N 3.07Å; E659-D663 PolarHBondContact O-N 2.85Å
660E74.6Confident77Confident84 Ų8471.7 Ų71.739%0.39334%0.34SS..Hα-helixtrans-60.1-37.8175.2-68.7179.9-168.700111.8N657 D663 L664N657-E660 HydrophobicContact CB-CB 4.39Å; N657-E660 HydrophobicContact CB-CG 3.98Å; N657-E660 WeakPolarHBondContact O-CB 3.48Å; N657-E660 PolarHBondContact O-N 2.99Å; E660-D663 PolarHBondContact O-N 3.22Å; E660-L664 VanDerWaalsContact O-CB 3.23Å; E660-L664 WeakPolarHBondContact O-CB 3.46Å; E660-L664 PolarHBondContact O-N 3.02Å
661L75.4Confident77Confident21 Ų2174.8 Ų74.811%0.1136%0.356CS..Hα-helixtrans-69.3-35.1176.5-176.157.3000112.2P554 N657 R658 E659 L664 L665 F686 M689P554-L661 HydrophobicContact CG-CD2 3.8Å; N657-L661 PolarHBondContact O-N 3.16Å; R658-L661 PolarHBondContact O-N 3.46Å; E659-L661 VanDerWaalsContact C-N 3.26Å; E659-L661 PolarHBondContact O-N 3.35Å; L661-L664 HydrophobicContact CD1-CD2 4.2Å; L661-L665 WeakPolarHBondContact O-CB 3.24Å; L661-L665 PolarHBondContact O-N 3Å; L661-F686 HydrophobicContact CD1-CE1 4.02Å; L661-F686 HydrophobicContact CG-CE1 4.3Å; L661-M689 HydrophobicContact CB-SD 4.47Å; L661-M689 HydrophobicContact CD2-CE 3.56Å; L661-M689 HydrophobicContact CD2-SD 3.73Å; L661-M689 HydrophobicContact CG-CE 4.33Å; L661-M689 HydrophobicContact CG-SD 3.91Å
662Y76.7Confident77Confident83 Ų8375.3 Ų75.333%0.32536%0.359SS..Hα-helixtrans-67.8-45.1173.5178.1-95000111.4R658 E659 L664 L665 E666R658-Y662 PolarHBondContact O-N 3.5Å; E659-Y662 WeakPolarHBondContact O-CB 3.29Å; E659-Y662 PolarHBondContact O-N 3.49Å; E659-Y662 VanDerWaalsContact O-N 3.07Å; Y662-L664 VanDerWaalsContact C-N 3.3Å; Y662-L664 PolarHBondContact O-N 3.19Å; Y662-L665 WeakPolarHBondContact O-CB 3.31Å; Y662-L665 PolarHBondContact O-N 3.46Å; Y662-L665 VanDerWaalsContact O-N 3.15Å; Y662-E666 PolarHBondContact O-N 2.81Å
663D80.3Confident77.1Confident96 Ų9673.2 Ų73.251%0.51336%0.36SS..Hα-helixtrans-62.9-38.4176.5-73.2-17000111.7E659 E660 E666 T667E659-D663 PolarHBondContact O-N 2.85Å; E660-D663 PolarHBondContact O-N 3.22Å; D663-E666 PolarHBondContact O-N 2.95Å; D663-T667 VanDerWaalsContact O-CB 3.28Å; D663-T667 WeakPolarHBondContact O-CB 3.42Å; D663-T667 PolarHBondContact O-N 3.48Å; D663-T667 PolarHBondContact O-OG1 2.92Å
664L81.6Confident77.7Confident35 Ų3577.6 Ų77.618%0.18339%0.387CS..Hα-helixtrans-61.2-46.5172.5-179.863.3000111.5I556 F582 A651 E660 L661 Y662 T667 L668I556-L664 HydrophobicContact CD1-CD2 3.75Å; I556-L664 HydrophobicContact CD1-CG 4.28Å; F582-L664 HydrophobicContact CE1-CD1 3.9Å; F582-L664 HydrophobicContact CE1-CD2 4.4Å; F582-L664 HydrophobicContact CZ-CD1 3.77Å; A651-L664 HydrophobicContact CB-CD2 3.67Å; E660-L664 VanDerWaalsContact O-CB 3.23Å; E660-L664 WeakPolarHBondContact O-CB 3.46Å; E660-L664 PolarHBondContact O-N 3.02Å; L661-L664 HydrophobicContact CD1-CD2 4.2Å; Y662-L664 VanDerWaalsContact C-N 3.3Å; Y662-L664 PolarHBondContact O-N 3.19Å; L664-T667 PolarHBondContact O-N 3.39Å; L664-L668 HydrophobicContact CD1-CD1 4.17Å; L664-L668 HydrophobicContact CD1-CG 4.35Å; L664-L668 HydrophobicContact CG-CD1 4.11Å; L664-L668 WeakPolarHBondContact O-CB 3.49Å; L664-L668 WeakPolarHBondContact O-CG 3.5Å; L664-L668 PolarHBondContact O-N 2.89Å
665L80.3Confident78.8Confident1 Ų170.2 Ų70.21%0.00535%0.352CS..Hα-helixtrans-60-48.1177.2173.160.6000111.4L661 Y662 T667 L668 R669 V681 F686L661-L665 WeakPolarHBondContact O-CB 3.24Å; L661-L665 PolarHBondContact O-N 3Å; Y662-L665 WeakPolarHBondContact O-CB 3.31Å; Y662-L665 PolarHBondContact O-N 3.46Å; Y662-L665 VanDerWaalsContact O-N 3.15Å; L665-T667 VanDerWaalsContact C-N 3.35Å; L665-T667 PolarHBondContact O-N 3.09Å; L665-L668 PolarHBondContact O-N 3.45Å; L665-R669 HydrophobicContact CD1-CG 4.25Å; L665-R669 WeakPolarHBondContact O-CB 3.32Å; L665-R669 WeakPolarHBondContact O-CG 3.13Å; L665-R669 PolarHBondContact O-N 3.42Å; L665-V681 HydrophobicContact CD1-CG2 4.4Å; L665-F686 HydrophobicContact CB-CE1 4.31Å; L665-F686 HydrophobicContact CB-CZ 4.46Å; L665-F686 HydrophobicContact CD1-CD1 4.25Å; L665-F686 HydrophobicContact CD1-CD2 3.46Å; L665-F686 VanDerWaalsContact CD1-CD2 3.46Å; L665-F686 HydrophobicContact CD1-CE1 4.29Å; L665-F686 HydrophobicContact CD1-CE2 3.54Å; L665-F686 HydrophobicContact CD1-CG 3.85Å; L665-F686 HydrophobicContact CD1-CZ 3.96Å; L665-F686 HydrophobicContact CD2-CB 3.93Å; L665-F686 HydrophobicContact CD2-CD1 3.88Å; L665-F686 HydrophobicContact CD2-CD2 4.3Å; L665-F686 HydrophobicContact CD2-CE1 4.44Å; L665-F686 HydrophobicContact CD2-CG 3.8Å; L665-F686 HydrophobicContact CG-CD1 4.46Å; L665-F686 HydrophobicContact CG-CD2 4.45Å; L665-F686 HydrophobicContact CG-CG 4.39Å
666E83Confident80Confident58 Ų5871.9 Ų71.927%0.27136%0.358SS..Hα-helixtrans-64.5-40.8-179.9-179.860.5-165.300111.3Y662 D663 R669 R670Y662-E666 PolarHBondContact O-N 2.81Å; D663-E666 PolarHBondContact O-N 2.95Å; E666-R669 PolarHBondContact O-N 3.33Å; E666-R670 WeakPolarHBondContact O-CG 3.37Å; E666-R670 PolarHBondContact O-N 3.14Å; E666-R670 IonicContact OE1-CZ 3.46Å; E666-R670 IonicContact OE1-NE 2.87Å; E666-R670 PolarHBondContact OE1-NE 3.36Å; E666-R670 IonicContact OE1-NH2 3.37Å; E666-R670 PolarHBondContact OE1-NH2 3.18Å
667T86.6Confident81.5Confident75 Ų7569.5 Ų69.546%0.4634%0.343SS..Hα-helixtrans-62.9-47.8176.5-590000111.4D663 L664 L665 R669 R670 L671D663-T667 VanDerWaalsContact O-CB 3.28Å; D663-T667 WeakPolarHBondContact O-CB 3.42Å; D663-T667 PolarHBondContact O-N 3.48Å; D663-T667 PolarHBondContact O-OG1 2.92Å; L664-T667 PolarHBondContact O-N 3.39Å; L665-T667 VanDerWaalsContact C-N 3.35Å; L665-T667 PolarHBondContact O-N 3.09Å; T667-R669 VanDerWaalsContact C-N 3.31Å; T667-R669 PolarHBondContact O-N 3.15Å; T667-R670 PolarHBondContact O-N 3.2Å; T667-L671 HydrophobicContact CG2-CD1 4.33Å; T667-L671 WeakPolarHBondContact O-CG 3.31Å; T667-L671 PolarHBondContact O-N 2.96Å
668L86Confident82.9Confident4 Ų471 Ų712%0.02135%0.346CS..Hα-helixtrans-63.8-35.4178.9-74.7172.4000112.6I556 F582 L664 L665 L671 S672 V681I556-L668 HydrophobicContact CD1-CD1 3.81Å; I556-L668 HydrophobicContact CG2-CD1 4.42Å; F582-L668 HydrophobicContact CE1-CD1 4.45Å; F582-L668 HydrophobicContact CE2-CD2 4.19Å; F582-L668 HydrophobicContact CZ-CD1 4.16Å; F582-L668 HydrophobicContact CZ-CD2 3.84Å; F582-L668 HydrophobicContact CZ-CG 4.33Å; L664-L668 HydrophobicContact CD1-CD1 4.17Å; L664-L668 HydrophobicContact CD1-CG 4.35Å; L664-L668 HydrophobicContact CG-CD1 4.11Å; L664-L668 WeakPolarHBondContact O-CB 3.49Å; L664-L668 WeakPolarHBondContact O-CG 3.5Å; L664-L668 PolarHBondContact O-N 2.89Å; L665-L668 PolarHBondContact O-N 3.45Å; L668-L671 PolarHBondContact O-N 3.29Å; L668-S672 PolarHBondContact O-N 3.15Å; L668-V681 HydrophobicContact CB-CB 4.42Å; L668-V681 HydrophobicContact CB-CG1 4.11Å; L668-V681 HydrophobicContact CB-CG2 3.73Å; L668-V681 HydrophobicContact CD1-CG1 4.22Å
669R86.7Confident84.1Confident17 Ų1766.8 Ų66.86%0.06433%0.33CS..Hα-helixtrans-71.6-37.1174.6-76.6172.2168.1175.2-5.8112.8E66 L665 E666 T667 L671 S672 V673 V681 D690E66-R669 IonicContact OE1-CZ 3.29Å; E66-R669 IonicContact OE1-NE 3.55Å; E66-R669 PolarHBondContact OE1-NE 2.97Å; E66-R669 IonicContact OE1-NH2 3.32Å; E66-R669 IonicContact OE2-CZ 2.65Å; E66-R669 IonicContact OE2-NE 2.82Å; E66-R669 IonicContact OE2-NH2 3.31Å; E66-R669 PolarHBondContact OE2-NH2 2.88Å; L665-R669 HydrophobicContact CD1-CG 4.25Å; L665-R669 WeakPolarHBondContact O-CB 3.32Å; L665-R669 WeakPolarHBondContact O-CG 3.13Å; L665-R669 PolarHBondContact O-N 3.42Å; E666-R669 PolarHBondContact O-N 3.33Å; T667-R669 VanDerWaalsContact C-N 3.31Å; T667-R669 PolarHBondContact O-N 3.15Å; R669-L671 VanDerWaalsContact C-N 3.29Å; R669-L671 PolarHBondContact O-N 3.41Å; R669-S672 PolarHBondContact O-N 3.25Å; R669-S672 PolarHBondContact O-OG 3.14Å; R669-V673 PolarHBondContact O-N 3.43Å; R669-V681 HydrophobicContact CG-CG2 4.2Å; R669-D690 IonicContact CZ-OD1 2.81Å; R669-D690 IonicContact CZ-OD2 3.84Å; R669-D690 VanDerWaalsContact NH1-CG 3.26Å; R669-D690 IonicContact NH1-OD1 2.71Å; R669-D690 PolarHBondContact NH1-OD1 3.13Å; R669-D690 IonicContact NH1-OD2 2.83Å; R669-D690 IonicContact NH2-OD1 3.62Å; R669-D690 IonicContact NH2-OD2 3.82Å; R669-D690 PolarHBondContact NH2-OD2 3.01Å
670R88.3Confident85.1Confident157 Ų15760.5 Ų60.559%0.59230%0.301SS*.Hα-helixtrans-62.3-42.1171.7-73175.1-172.1-178.15.6110.9E666 T667 S672 V673 T674E666-R670 WeakPolarHBondContact O-CG 3.37Å; E666-R670 PolarHBondContact O-N 3.14Å; E666-R670 IonicContact OE1-CZ 3.46Å; E666-R670 IonicContact OE1-NE 2.87Å; E666-R670 PolarHBondContact OE1-NE 3.36Å; E666-R670 IonicContact OE1-NH2 3.37Å; E666-R670 PolarHBondContact OE1-NH2 3.18Å; T667-R670 PolarHBondContact O-N 3.2Å; R670-S672 VanDerWaalsContact C-N 3.32Å; R670-S672 PolarHBondContact O-N 3.44Å; R670-V673 PolarHBondContact O-N 3.48Å; R670-T674 PolarHBondContact O-N 2.93Å; R670-T674 PolarHBondContact O-OG1 3.42Å
671L88.6Confident85.8Confident64 Ų6456.6 Ų56.634%0.33528%0.283SS..Hα-helixtrans-63.1-36.7175.1-70.9172.9000112.4T667 L668 R669 V673 T674 S675 F679T667-L671 HydrophobicContact CG2-CD1 4.33Å; T667-L671 WeakPolarHBondContact O-CG 3.31Å; T667-L671 PolarHBondContact O-N 2.96Å; L668-L671 PolarHBondContact O-N 3.29Å; R669-L671 VanDerWaalsContact C-N 3.29Å; R669-L671 PolarHBondContact O-N 3.41Å; L671-V673 PolarHBondContact O-N 2.94Å; L671-T674 PolarHBondContact O-N 3.49Å; L671-S675 WeakPolarHBondContact O-CB 3.48Å; L671-S675 PolarHBondContact O-N 3.38Å; L671-S675 PolarHBondContact O-OG 3.36Å; L671-F679 HydrophobicContact CB-CZ 4Å
672S87.3Confident86.4Confident24 Ų2455.7 Ų55.717%0.16828%0.278CS..Hα-helixtrans-66.4-22.7178.775.50000113.9L668 R669 R670 F679L668-S672 PolarHBondContact O-N 3.15Å; R669-S672 PolarHBondContact O-N 3.25Å; R669-S672 PolarHBondContact O-OG 3.14Å; R670-S672 VanDerWaalsContact C-N 3.32Å; R670-S672 PolarHBondContact O-N 3.44Å; S672-F679 VanDerWaalsContact CB-O 3.26Å; S672-F679 WeakPolarHBondContact CB-O 3.37Å
673V86.7Confident86.8Confident124 Ų12452.3 Ų52.375%0.75227%0.265SS*.Hα-helixtrans-87.4-34.1176.71780000112.1R669 R670 L671R669-V673 PolarHBondContact O-N 3.43Å; R670-V673 PolarHBondContact O-N 3.48Å; L671-V673 PolarHBondContact O-N 2.94Å
674T88.6Confident86.8Confident112 Ų11249.1 Ų49.169%0.68725%0.25SS*.Hα-helixtrans-93-18-175.257.70000114.2R670 L671R670-T674 PolarHBondContact O-N 2.93Å; R670-T674 PolarHBondContact O-OG1 3.42Å; L671-T674 PolarHBondContact O-N 3.49Å
675S88.8Confident86.7Confident17 Ų1749.8 Ų49.812%0.11926%0.257CS..SBendtrans-71.7153.2-179.649.20000112.7Y578 L671 V677 F679Y578-S675 VanDerWaalsContact CZ-CB 3.47Å; L671-S675 WeakPolarHBondContact O-CB 3.48Å; L671-S675 PolarHBondContact O-N 3.38Å; L671-S675 PolarHBondContact O-OG 3.36Å; S675-V677 VanDerWaalsContact C-N 3.34Å; S675-V677 PolarHBondContact OG-O 3.32Å; S675-F679 VanDerWaalsContact OG-CE1 3.23Å; S675-F679 WeakPolarHBondContact OG-CE1 3.32Å
676K88.1Confident86.9Confident165 Ų16549.7 Ų49.772%0.71726%0.257SS*.SBendtrans-71-33.9175.1-66.4177.7-172.1161.70111.8D574 Y578D574-K676 IonicContact OD2-NZ 2.87Å; Y578-K676 PolarHBondContact OH-N 3.07Å
677V88.5Confident86.9Confident6 Ų647 Ų474%0.03625%0.245CC..SBendtrans-91.6120.21761730000108.5I560 E562 I564 V571 V575 Y578 S675 F679I560-V677 HydrophobicContact CD1-CG1 4.3Å; I560-V677 HydrophobicContact CG1-CG1 4.15Å; I560-V677 HydrophobicContact CG2-CG1 3.97Å; E562-V677 WeakPolarHBondContact OE1-CA 3.43Å; I564-V677 HydrophobicContact CD1-CG1 3.88Å; I564-V677 HydrophobicContact CD1-CG2 4.21Å; I564-V677 HydrophobicContact CG2-CG1 3.91Å; I564-V677 HydrophobicContact CG2-CG2 4.23Å; V571-V677 HydrophobicContact CG1-CG2 4.33Å; V575-V677 HydrophobicContact CG2-CG2 4.23Å; Y578-V677 HydrophobicContact CE2-CB 4.05Å; Y578-V677 HydrophobicContact CE2-CG2 4.35Å; S675-V677 VanDerWaalsContact C-N 3.34Å; S675-V677 PolarHBondContact OG-O 3.32Å; V677-F679 WeakPolarHBondContact O-CD1 3.48Å; V677-F679 PolarHBondContact O-N 3.28Å
678K89.5Confident86.4Confident110 Ų11045.7 Ų45.748%0.47823%0.231SC..  trans-76.6120.5176.7-61.5-176.7-176173.60110.5Y561 E562Y561-K678 HydrophobicContact CE1-CB 4.04Å; Y561-K678 HydrophobicContact CE2-CB 4.37Å; E562-K678 HydrophobicContact CG-CB 4.34Å; E562-K678 PolarHBondContact OE1-N 2.98Å; E562-K678 WeakPolarHBondContact OE2-CD 3.36Å; E562-K678 WeakPolarHBondContact OE2-CG 3.48Å
679F92Very high85.9Confident3 Ų346.9 Ų46.91%0.01324%0.237CC..EExtended strand (participates in β ladder)trans-133.3167.3174.464.9-94.7000111.4F558 Y559 I560 Y578 L671 S672 S675 V677 V681F558-F679 HydrophobicContact CD1-CB 4.46Å; F558-F679 AromaticContact CD2-CD2 3.8Å; F558-F679 HydrophobicContact CD2-CD2 3.8Å; F558-F679 HydrophobicContact CD2-CE2 4.09Å; F558-F679 HydrophobicContact CD2-CG 4.3Å; F558-F679 HydrophobicContact CE1-CB 3.86Å; F558-F679 HydrophobicContact CE1-CD1 4.39Å; F558-F679 HydrophobicContact CE1-CD2 4.46Å; F558-F679 HydrophobicContact CE1-CG 4.01Å; F558-F679 HydrophobicContact CE2-CB 4.18Å; F558-F679 AromaticContact CE2-CD1 3.85Å; F558-F679 HydrophobicContact CE2-CD1 3.85Å; F558-F679 AromaticContact CE2-CD2 3.26Å; F558-F679 HydrophobicContact CE2-CD2 3.26Å; F558-F679 AromaticContact CE2-CE1 3.97Å; F558-F679 HydrophobicContact CE2-CE1 3.97Å; F558-F679 AromaticContact CE2-CE2 3.41Å; F558-F679 HydrophobicContact CE2-CE2 3.41Å; F558-F679 VanDerWaalsContact CE2-CE2 3.41Å; F558-F679 AromaticContact CE2-CG 3.5Å; F558-F679 HydrophobicContact CE2-CG 3.5Å; F558-F679 VanDerWaalsContact CE2-CG 3.5Å; F558-F679 AromaticContact CE2-CZ 3.77Å; F558-F679 HydrophobicContact CE2-CZ 3.77Å; F558-F679 HydrophobicContact CZ-CB 3.71Å; F558-F679 AromaticContact CZ-CD1 3.48Å; F558-F679 HydrophobicContact CZ-CD1 3.48Å; F558-F679 VanDerWaalsContact CZ-CD1 3.48Å; F558-F679 AromaticContact CZ-CD2 3.65Å; F558-F679 HydrophobicContact CZ-CD2 3.65Å; F558-F679 AromaticContact CZ-CE1 3.93Å; F558-F679 HydrophobicContact CZ-CE1 3.93Å; F558-F679 HydrophobicContact CZ-CE2 4.09Å; F558-F679 AromaticContact CZ-CG 3.32Å; F558-F679 HydrophobicContact CZ-CG 3.32Å; F558-F679 HydrophobicContact CZ-CZ 4.21Å; Y559-F679 CarbonylContact O-C 3.51Å; Y559-F679 WeakPolarHBondContact O-CA 3.33Å; Y559-F679 WeakPolarHBondContact O-CB 3.43Å; I560-F679 HydrophobicContact CG1-CB 4.24Å; Y578-F679 HydrophobicContact CD2-CE1 4.11Å; Y578-F679 HydrophobicContact CG-CE1 4.42Å; L671-F679 HydrophobicContact CB-CZ 4Å; S672-F679 VanDerWaalsContact CB-O 3.26Å; S672-F679 WeakPolarHBondContact CB-O 3.37Å; S675-F679 VanDerWaalsContact OG-CE1 3.23Å; S675-F679 WeakPolarHBondContact OG-CE1 3.32Å; V677-F679 WeakPolarHBondContact O-CD1 3.48Å; V677-F679 PolarHBondContact O-N 3.28Å; F679-V681 HydrophobicContact CD2-CG1 4.04Å; F679-V681 HydrophobicContact CE2-CG1 3.96Å
680I90.4Very high85.2Confident15 Ų1546.3 Ų46.38%0.07724%0.235CC..EExtended strand (participates in β ladder)trans-127149167.159-176.8000108.6L69 V70 Y559 Y561L69-I680 HydrophobicContact CB-CD1 4.46Å; L69-I680 HydrophobicContact CD2-CD1 3.72Å; L69-I680 HydrophobicContact CD2-CG2 4.48Å; L69-I680 HydrophobicContact CG-CD1 4Å; V70-I680 HydrophobicContact CG2-CD1 3.51Å; V70-I680 HydrophobicContact CG2-CG1 4.27Å; Y559-I680 HydrophobicContact CD2-CG1 4.04Å; Y559-I680 HydrophobicContact CG-CG1 4.18Å; Y559-I680 PolarHBondContact N-O 3.41Å; Y559-I680 PolarHBondContact O-N 3.33Å; Y561-I680 HydrophobicContact CD1-CG1 4.4Å; Y561-I680 HydrophobicContact CD1-CG2 4.02Å; Y561-I680 HydrophobicContact CE1-CG2 3.68Å
681V88.8Confident84.1Confident1 Ų147.1 Ų47.11%0.00624%0.239CC..EExtended strand (participates in β ladder)trans-113.9136.5173.2-69.90000109.2I556 G557 F558 L665 L668 R669 F679I556-V681 HydrophobicContact CG2-CB 3.81Å; I556-V681 HydrophobicContact CG2-CG1 4.22Å; G557-V681 CarbonylContact O-C 3.56Å; G557-V681 VanDerWaalsContact O-CA 3.27Å; G557-V681 WeakPolarHBondContact O-CA 3.4Å; F558-V681 HydrophobicContact CD2-CG1 3.91Å; L665-V681 HydrophobicContact CD1-CG2 4.4Å; L668-V681 HydrophobicContact CB-CB 4.42Å; L668-V681 HydrophobicContact CB-CG1 4.11Å; L668-V681 HydrophobicContact CB-CG2 3.73Å; L668-V681 HydrophobicContact CD1-CG1 4.22Å; R669-V681 HydrophobicContact CG-CG2 4.2Å; F679-V681 HydrophobicContact CD2-CG1 4.04Å; F679-V681 HydrophobicContact CE2-CG1 3.96Å
682F87.3Confident83.1Confident3 Ų344.9 Ų44.91%0.01323%0.226CC..EExtended strand (participates in β ladder)trans-150.4138.3-178.2-176.2-101.9000113.3A63 E66 R67 V70 Q88 G557 Y559 V687A63-F682 HydrophobicContact CB-CE2 4.47Å; A63-F682 WeakPolarHBondContact O-CE2 3.38Å; E66-F682 HydrophobicContact CB-CD2 3.88Å; R67-F682 HydrophobicContact CB-CD2 4.43Å; R67-F682 HydrophobicContact CB-CE1 4.01Å; R67-F682 HydrophobicContact CB-CE2 3.65Å; R67-F682 HydrophobicContact CB-CZ 3.4Å; R67-F682 VanDerWaalsContact CB-CZ 3.4Å; R67-F682 HydrophobicContact CG-CE1 3.94Å; R67-F682 HydrophobicContact CG-CE2 4.37Å; R67-F682 HydrophobicContact CG-CZ 3.62Å; V70-F682 HydrophobicContact CG1-CD1 4.29Å; V70-F682 HydrophobicContact CG2-CB 4.02Å; V70-F682 HydrophobicContact CG2-CG 4.38Å; Q88-F682 HydrophobicContact CB-CE1 4.35Å; Q88-F682 VanDerWaalsContact O-CE1 3.3Å; Q88-F682 WeakPolarHBondContact O-CE1 3.23Å; G557-F682 PolarHBondContact N-O 3.41Å; G557-F682 PolarHBondContact O-N 3.05Å; Y559-F682 HydrophobicContact CE2-CB 3.97Å; F682-V687 HydrophobicContact CE2-CG2 4.32Å; F682-V687 HydrophobicContact CZ-CG2 4.38Å
683N85.1Confident81.9Confident11 Ų1145 Ų456%0.05923%0.228CC..  trans-144143167.4179.6-82.6000108V555 S685 F686V555-N683 PolarHBondContact O-ND2 2.82Å; N683-S685 PolarHBondContact O-N 3.34Å; N683-S685 VanDerWaalsContact O-N 3.17Å; N683-S685 WeakPolarHBondContact OD1-CB 3.14Å; N683-S685 PolarHBondContact OD1-N 3.05Å; N683-S685 PolarHBondContact OD1-OG 3.1Å; N683-S685 VanDerWaalsContact OD1-OG 3.1Å; N683-F686 HydrophobicContact CB-CD1 4.2Å; N683-F686 HydrophobicContact CB-CD2 3.85Å; N683-F686 HydrophobicContact CB-CE1 4.05Å; N683-F686 HydrophobicContact CB-CE2 3.67Å; N683-F686 HydrophobicContact CB-CG 4.11Å; N683-F686 HydrophobicContact CB-CZ 3.79Å; N683-F686 VanDerWaalsContact O-CB 3.23Å; N683-F686 WeakPolarHBondContact O-CB 3.48Å; N683-F686 WeakPolarHBondContact O-CG 3.47Å; N683-F686 PolarHBondContact O-N 2.9Å
684P80.9Confident81.1Confident30 Ų3043.1 Ų43.120%0.19522%0.22CC..THydrogen-bonded Turntrans-55.7-33.8-180-26.733.9000114.8L87 F686 V687L87-P684 WeakPolarHBondContact O-CG 3.39Å; P684-F686 PolarHBondContact O-N 3.37Å; P684-V687 WeakPolarHBondContact O-CB 3.26Å; P684-V687 PolarHBondContact O-N 3.35Å; P684-V687 VanDerWaalsContact O-N 3.1Å
685S79.7Confident80.6Confident48 Ų4838.1 Ų38.134%0.33619%0.19SC..THydrogen-bonded Turntrans-61.4-25.9178.1-57.20000112N683 V687 Y688 M689N683-S685 PolarHBondContact O-N 3.34Å; N683-S685 VanDerWaalsContact O-N 3.17Å; N683-S685 WeakPolarHBondContact OD1-CB 3.14Å; N683-S685 PolarHBondContact OD1-N 3.05Å; N683-S685 PolarHBondContact OD1-OG 3.1Å; N683-S685 VanDerWaalsContact OD1-OG 3.1Å; S685-V687 PolarHBondContact O-N 2.68Å; S685-Y688 PolarHBondContact O-N 3.41Å; S685-Y688 VanDerWaalsContact O-N 3.13Å; S685-M689 PolarHBondContact O-N 3.04Å
686F83.3Confident80.1Confident0 Ų037.5 Ų37.50%019%0.186CC..Hα-helixtrans-64-23.3177.5-58.7-21000112.7A63 I556 L661 L665 N683 P684 Y688 M689 D690A63-F686 HydrophobicContact CB-CB 4.14Å; I556-F686 HydrophobicContact CD1-CZ 4.02Å; I556-F686 HydrophobicContact CG1-CZ 3.95Å; I556-F686 HydrophobicContact CG2-CE2 4.17Å; I556-F686 HydrophobicContact CG2-CZ 4.34Å; L661-F686 HydrophobicContact CD1-CE1 4.02Å; L661-F686 HydrophobicContact CG-CE1 4.3Å; L665-F686 HydrophobicContact CB-CE1 4.31Å; L665-F686 HydrophobicContact CB-CZ 4.46Å; L665-F686 HydrophobicContact CD1-CD1 4.25Å; L665-F686 HydrophobicContact CD1-CD2 3.46Å; L665-F686 VanDerWaalsContact CD1-CD2 3.46Å; L665-F686 HydrophobicContact CD1-CE1 4.29Å; L665-F686 HydrophobicContact CD1-CE2 3.54Å; L665-F686 HydrophobicContact CD1-CG 3.85Å; L665-F686 HydrophobicContact CD1-CZ 3.96Å; L665-F686 HydrophobicContact CD2-CB 3.93Å; L665-F686 HydrophobicContact CD2-CD1 3.88Å; L665-F686 HydrophobicContact CD2-CD2 4.3Å; L665-F686 HydrophobicContact CD2-CE1 4.44Å; L665-F686 HydrophobicContact CD2-CG 3.8Å; L665-F686 HydrophobicContact CG-CD1 4.46Å; L665-F686 HydrophobicContact CG-CD2 4.45Å; L665-F686 HydrophobicContact CG-CG 4.39Å; N683-F686 HydrophobicContact CB-CD1 4.2Å; N683-F686 HydrophobicContact CB-CD2 3.85Å; N683-F686 HydrophobicContact CB-CE1 4.05Å; N683-F686 HydrophobicContact CB-CE2 3.67Å; N683-F686 HydrophobicContact CB-CG 4.11Å; N683-F686 HydrophobicContact CB-CZ 3.79Å; N683-F686 VanDerWaalsContact O-CB 3.23Å; N683-F686 WeakPolarHBondContact O-CB 3.48Å; N683-F686 WeakPolarHBondContact O-CG 3.47Å; N683-F686 PolarHBondContact O-N 2.9Å; P684-F686 PolarHBondContact O-N 3.37Å; F686-Y688 PolarHBondContact O-N 3.26Å; F686-M689 HydrophobicContact CD1-SD 4.47Å; F686-M689 PolarHBondContact O-N 2.93Å; F686-M689 VanDerWaalsContact O-N 3.12Å; F686-D690 WeakPolarHBondContact O-CB 3.15Å; F686-D690 PolarHBondContact O-N 3.17Å
687V83Confident79.8Confident1 Ų130.9 Ų30.91%0.00616%0.164CC..Hα-helixtrans-61-31.3175.5175.40000112E53 A57 A63 K64 F682 P684 S685E53-V687 HydrophobicContact CG-CG1 3.91Å; A57-V687 HydrophobicContact CB-CG1 3.68Å; A63-V687 HydrophobicContact CB-CG2 4.14Å; K64-V687 HydrophobicContact CD-CG1 4.44Å; K64-V687 HydrophobicContact CG-CG1 4Å; K64-V687 HydrophobicContact CG-CG2 4.39Å; F682-V687 HydrophobicContact CE2-CG2 4.32Å; F682-V687 HydrophobicContact CZ-CG2 4.38Å; P684-V687 WeakPolarHBondContact O-CB 3.26Å; P684-V687 PolarHBondContact O-N 3.35Å; P684-V687 VanDerWaalsContact O-N 3.1Å; S685-V687 PolarHBondContact O-N 2.68Å
688Y78.1Confident79.7Confident47 Ų4732 Ų3218%0.18417%0.174CC..Hα-helixtrans-91.9-12.8177.1-65-80.6000113.7E53 A57 L528 S685 F686 Y692E53-Y688 VanDerWaalsContact CA-OH 3.27Å; E53-Y688 WeakPolarHBondContact CA-OH 3.46Å; E53-Y688 VanDerWaalsContact CB-OH 3.28Å; E53-Y688 WeakPolarHBondContact CB-OH 3.39Å; E53-Y688 PolarHBondContact N-OH 3Å; A57-Y688 HydrophobicContact CB-CD1 3.97Å; A57-Y688 HydrophobicContact CB-CE1 4Å; L528-Y688 HydrophobicContact CD1-CD1 4.03Å; L528-Y688 HydrophobicContact CD1-CD2 4.4Å; L528-Y688 HydrophobicContact CD1-CE1 3.83Å; L528-Y688 HydrophobicContact CD1-CE2 4.21Å; L528-Y688 HydrophobicContact CD1-CG 4.3Å; L528-Y688 HydrophobicContact CD2-CD1 4.11Å; L528-Y688 HydrophobicContact CD2-CE1 4.01Å; L528-Y688 HydrophobicContact CG-CD1 4.47Å; L528-Y688 HydrophobicContact CG-CE1 4.5Å; S685-Y688 PolarHBondContact O-N 3.41Å; S685-Y688 VanDerWaalsContact O-N 3.13Å; F686-Y688 PolarHBondContact O-N 3.26Å; Y688-Y692 WeakPolarHBondContact O-CB 3.38Å; Y688-Y692 WeakPolarHBondContact O-CD2 3.4Å
689M75.4Confident79.5Confident29 Ų2926.8 Ų26.814%0.14315%0.151CC..Hα-helixtrans-100-34.2-177.9-63.2-178.3178.300112.4R658 L661 S685 F686 R691 Y692R658-M689 HydrophobicContact CG-CE 3.75Å; R658-M689 HydrophobicContact CG-SD 4.43Å; L661-M689 HydrophobicContact CB-SD 4.47Å; L661-M689 HydrophobicContact CD2-CE 3.56Å; L661-M689 HydrophobicContact CD2-SD 3.73Å; L661-M689 HydrophobicContact CG-CE 4.33Å; L661-M689 HydrophobicContact CG-SD 3.91Å; S685-M689 PolarHBondContact O-N 3.04Å; F686-M689 HydrophobicContact CD1-SD 4.47Å; F686-M689 PolarHBondContact O-N 2.93Å; F686-M689 VanDerWaalsContact O-N 3.12Å; M689-R691 PolarHBondContact O-N 2.88Å; M689-Y692 PolarHBondContact O-N 3.25Å
690D71.7Confident79.3Confident5 Ų527.6 Ų27.63%0.02716%0.156CC..THydrogen-bonded Turntrans-63.8106.6-171.9-173.624.5000112.5L62 A63 R669 F686 Y692L62-D690 WeakPolarHBondContact CA-OD2 3.17Å; L62-D690 WeakPolarHBondContact CB-OD2 3.22Å; L62-D690 PolarHBondContact N-OD2 2.96Å; A63-D690 HydrophobicContact CB-CB 3.85Å; A63-D690 PolarHBondContact N-OD2 3.49Å; R669-D690 IonicContact CZ-OD1 2.81Å; R669-D690 IonicContact CZ-OD2 3.84Å; R669-D690 VanDerWaalsContact NH1-CG 3.26Å; R669-D690 IonicContact NH1-OD1 2.71Å; R669-D690 PolarHBondContact NH1-OD1 3.13Å; R669-D690 IonicContact NH1-OD2 2.83Å; R669-D690 IonicContact NH2-OD1 3.62Å; R669-D690 IonicContact NH2-OD2 3.82Å; R669-D690 PolarHBondContact NH2-OD2 3.01Å; F686-D690 WeakPolarHBondContact O-CB 3.15Å; F686-D690 PolarHBondContact O-N 3.17Å; D690-Y692 PolarHBondContact O-N 2.92Å; D690-Y692 VanDerWaalsContact O-N 3.1Å
691R64.3Low79.2Confident175 Ų17532.3 Ų32.366%0.6618%0.177SC*.THydrogen-bonded Turntrans50.831.2-179-60.4-176.2176.6-174.1-1.5113.8M689 A693 S694 S695M689-R691 PolarHBondContact O-N 2.88Å; R691-A693 VanDerWaalsContact C-N 3.3Å; R691-A693 PolarHBondContact O-N 2.85Å; R691-S694 PolarHBondContact O-N 3.26Å; R691-S695 WeakPolarHBondContact O-CB 3.46Å; R691-S695 PolarHBondContact O-N 3.44Å
692Y68.2Low79.2Confident16 Ų1634.3 Ų34.36%0.06319%0.188CC..Hα-helixtrans-57.6-46.9178.4-174.9-93.8000110.8L56 G525 Y688 M689 D690 S694 S695 L696L56-Y692 WeakPolarHBondContact O-CE2 3.42Å; G525-Y692 WeakPolarHBondContact O-CE1 3.43Å; G525-Y692 PolarHBondContact O-OH 3.45Å; Y688-Y692 WeakPolarHBondContact O-CB 3.38Å; Y688-Y692 WeakPolarHBondContact O-CD2 3.4Å; M689-Y692 PolarHBondContact O-N 3.25Å; D690-Y692 PolarHBondContact O-N 2.92Å; D690-Y692 VanDerWaalsContact O-N 3.1Å; Y692-S694 PolarHBondContact O-N 3.23Å; Y692-S695 WeakPolarHBondContact O-CB 3.37Å; Y692-S695 PolarHBondContact O-N 2.85Å; Y692-L696 HydrophobicContact CE1-CD1 4.35Å; Y692-L696 HydrophobicContact CE1-CD2 4.14Å; Y692-L696 WeakPolarHBondContact O-CB 3.41Å; Y692-L696 PolarHBondContact O-N 3.5Å
693A61.5Low79.1Confident27 Ų2734.2 Ų34.222%0.22319%0.187CC..Hα-helixtrans-41.7-63.3171.200000113.9E524 R691 S695 L696 G697E524-A693 VanDerWaalsContact CD-CB 3.45Å; E524-A693 VanDerWaalsContact OE1-CB 3.3Å; E524-A693 WeakPolarHBondContact OE1-CB 3.26Å; E524-A693 WeakPolarHBondContact OE2-CA 3.48Å; E524-A693 WeakPolarHBondContact OE2-CB 3.37Å; R691-A693 VanDerWaalsContact C-N 3.3Å; R691-A693 PolarHBondContact O-N 2.85Å; A693-S695 VanDerWaalsContact C-N 3.31Å; A693-S695 PolarHBondContact O-N 3.19Å; A693-L696 WeakPolarHBondContact O-CB 3.16Å; A693-L696 PolarHBondContact O-N 3.46Å; A693-L696 VanDerWaalsContact O-N 3.17Å; A693-G697 PolarHBondContact O-N 2.93Å
694S71Confident79.3Confident84 Ų8435.5 Ų35.559%0.58720%0.197SC*.Hα-helixtrans-66.5-35.4-176.2-47.50000111.8R691 Y692 L696 A698R691-S694 PolarHBondContact O-N 3.26Å; Y692-S694 PolarHBondContact O-N 3.23Å; S694-L696 VanDerWaalsContact C-N 3.29Å; S694-L696 PolarHBondContact O-N 3.44Å; S694-A698 WeakPolarHBondContact O-CB 3.44Å; S694-A698 PolarHBondContact O-N 3.42Å
695S78Confident79.6Confident8 Ų838.2 Ų38.26%0.05621%0.209CC..Hα-helixtrans-66.5-33.4176.7-171.30000112.2N395 I396 R691 Y692 A693 P699N395-S695 WeakPolarHBondContact CB-OG 3.25Å; I396-S695 VanDerWaalsContact CG1-OG 3.23Å; I396-S695 WeakPolarHBondContact CG1-OG 3.3Å; R691-S695 WeakPolarHBondContact O-CB 3.46Å; R691-S695 PolarHBondContact O-N 3.44Å; Y692-S695 WeakPolarHBondContact O-CB 3.37Å; Y692-S695 PolarHBondContact O-N 2.85Å; A693-S695 VanDerWaalsContact C-N 3.31Å; A693-S695 PolarHBondContact O-N 3.19Å; S695-P699 WeakPolarHBondContact O-CD 3.33Å
696L77Confident79.8Confident3 Ų336.2 Ų36.22%0.01620%0.195CC..Hα-helixtrans-78.9-43.9-178.9-160.974.2000112.3I396 Y692 A693 S694 A698 P699 L749 D750 C751 V754I396-L696 HydrophobicContact CD1-CB 4.13Å; I396-L696 HydrophobicContact CD1-CD1 3.35Å; I396-L696 HydrophobicContact CD1-CG 4.35Å; Y692-L696 HydrophobicContact CE1-CD1 4.35Å; Y692-L696 HydrophobicContact CE1-CD2 4.14Å; Y692-L696 WeakPolarHBondContact O-CB 3.41Å; Y692-L696 PolarHBondContact O-N 3.5Å; A693-L696 WeakPolarHBondContact O-CB 3.16Å; A693-L696 PolarHBondContact O-N 3.46Å; A693-L696 VanDerWaalsContact O-N 3.17Å; S694-L696 VanDerWaalsContact C-N 3.29Å; S694-L696 PolarHBondContact O-N 3.44Å; L696-A698 VanDerWaalsContact C-N 3.31Å; L696-A698 PolarHBondContact O-N 3.27Å; L696-P699 WeakPolarHBondContact O-CD 3.41Å; L696-L749 VanDerWaalsContact CD2-C 3.49Å; L696-L749 HydrophobicContact CD2-CG 4.21Å; L696-L749 WeakPolarHBondContact CD2-O 3.33Å; L696-D750 VanDerWaalsContact CD2-CA 3.45Å; L696-C751 VanDerWaalsContact CD1-CA 3.44Å; L696-C751 HydrophobicContact CD1-CB 3.88Å; L696-V754 HydrophobicContact CD2-CG2 4.26Å; L696-V754 HydrophobicContact CG-CG2 3.92Å
697G83.1Confident79.9Confident26 Ų2636.4 Ų36.427%0.26820%0.197SC..Hα-helixtrans-69.3-26.7179.100000113.8A693 L700 H701A693-G697 PolarHBondContact O-N 2.93Å; G697-L700 PolarHBondContact O-N 3.27Å; G697-H701 WeakPolarHBondContact O-CB 3.38Å; G697-H701 PolarHBondContact O-N 3.02Å
698A86.3Confident80.1Confident29 Ų2940.3 Ų40.324%0.2422%0.217CC..Hα-helixtrans-56.2-52.7-176.500000114.7S694 L696 L700 H701 N702S694-A698 WeakPolarHBondContact O-CB 3.44Å; S694-A698 PolarHBondContact O-N 3.42Å; L696-A698 VanDerWaalsContact C-N 3.31Å; L696-A698 PolarHBondContact O-N 3.27Å; A698-L700 VanDerWaalsContact C-N 3.32Å; A698-L700 PolarHBondContact O-N 3.43Å; A698-H701 PolarHBondContact O-N 3.38Å; A698-N702 WeakPolarHBondContact O-CB 3.48Å; A698-N702 PolarHBondContact O-N 3.43Å; A698-N702 PolarHBondContact O-ND2 2.88Å
699P83.5Confident80.4Confident1 Ų144 Ų441%0.00623%0.234CC..Hα-helixtrans-62.5-34.7179.419.2-30.4000113.7T394 A399 S695 L696 S703 V754 I758T394-P699 HydrophobicContact CG2-CB 3.88Å; T394-P699 HydrophobicContact CG2-CG 3.92Å; A399-P699 HydrophobicContact CB-CG 4.49Å; S695-P699 WeakPolarHBondContact O-CD 3.33Å; L696-P699 WeakPolarHBondContact O-CD 3.41Å; P699-S703 VanDerWaalsContact O-CB 3.28Å; P699-S703 WeakPolarHBondContact O-CB 3.28Å; P699-S703 PolarHBondContact O-N 2.91Å; P699-S703 PolarHBondContact O-OG 2.93Å; P699-V754 HydrophobicContact CG-CG1 4.15Å; P699-I758 HydrophobicContact CB-CD1 4.01Å
700L87.9Confident80.7Confident21 Ų2144.7 Ų44.711%0.1124%0.238CC..Hα-helixtrans-64.6-51.8172.2179.259.1000110.9G697 A698 N702 S703 C704 V754 L757 I758 I761G697-L700 PolarHBondContact O-N 3.27Å; A698-L700 VanDerWaalsContact C-N 3.32Å; A698-L700 PolarHBondContact O-N 3.43Å; L700-N702 VanDerWaalsContact C-N 3.35Å; L700-N702 PolarHBondContact O-N 3.41Å; L700-S703 WeakPolarHBondContact O-CB 3.44Å; L700-S703 PolarHBondContact O-N 3.48Å; L700-S703 VanDerWaalsContact O-N 3.13Å; L700-C704 PolarHBondContact O-N 3.29Å; L700-C704 PolarHBondContact O-SG 2.89Å; L700-C704 VanDerWaalsContact O-SG 3.39Å; L700-V754 HydrophobicContact CB-CG1 4.09Å; L700-L757 HydrophobicContact CD1-CB 3.64Å; L700-L757 HydrophobicContact CD2-CB 4.18Å; L700-L757 HydrophobicContact CD2-CD1 3.74Å; L700-I758 HydrophobicContact CD1-CG1 4.2Å; L700-I761 HydrophobicContact CD1-CD1 4.29Å
701H90.2Very high81.2Confident114 Ų11444.7 Ų44.753%0.52824%0.239SC..Hα-helixtrans-57-46.8-179.7-179.775.8000112.2G697 A698 S703 C704 I705G697-H701 WeakPolarHBondContact O-CB 3.38Å; G697-H701 PolarHBondContact O-N 3.02Å; A698-H701 PolarHBondContact O-N 3.38Å; H701-S703 VanDerWaalsContact C-N 3.33Å; H701-S703 PolarHBondContact O-N 3.4Å; H701-C704 WeakPolarHBondContact O-CB 3.31Å; H701-C704 PolarHBondContact O-N 2.84Å; H701-I705 WeakPolarHBondContact NE2-CD1 3.45Å; H701-I705 WeakPolarHBondContact O-CG1 3.19Å; H701-I705 PolarHBondContact O-N 3.2Å
702N87.9Confident81.9Confident43 Ų4342 Ų4223%0.2323%0.232CC..Hα-helixtrans-64.4-38.5177.9-65.8-17.2000111.6I388 A698 L700 I705 S706I388-N702 HydrophobicContact CG2-CB 3.59Å; A698-N702 WeakPolarHBondContact O-CB 3.48Å; A698-N702 PolarHBondContact O-N 3.43Å; A698-N702 PolarHBondContact O-ND2 2.88Å; L700-N702 VanDerWaalsContact C-N 3.35Å; L700-N702 PolarHBondContact O-N 3.41Å; N702-I705 PolarHBondContact O-N 3.46Å; N702-S706 WeakPolarHBondContact O-CB 3.48Å; N702-S706 PolarHBondContact O-N 2.93Å
703S85.1Confident82.1Confident0 Ų045.6 Ų45.60%025%0.248CC..Hα-helixtrans-65.2-43.7175.4-60.50000111.3P699 L700 H701 S706 A707P699-S703 VanDerWaalsContact O-CB 3.28Å; P699-S703 WeakPolarHBondContact O-CB 3.28Å; P699-S703 PolarHBondContact O-N 2.91Å; P699-S703 PolarHBondContact O-OG 2.93Å; L700-S703 WeakPolarHBondContact O-CB 3.44Å; L700-S703 PolarHBondContact O-N 3.48Å; L700-S703 VanDerWaalsContact O-N 3.13Å; H701-S703 VanDerWaalsContact C-N 3.33Å; H701-S703 PolarHBondContact O-N 3.4Å; S703-S706 PolarHBondContact O-N 2.71Å; S703-S706 PolarHBondContact O-OG 3.11Å; S703-A707 PolarHBondContact O-N 3.05Å
704C88.6Confident82.7Confident39 Ų3944.8 Ų44.826%0.26424%0.241SC..Hα-helixtrans-58.9-49.2174.1-71.10000111.8L700 H701 S706 A707 L708 I761L700-C704 PolarHBondContact O-N 3.29Å; L700-C704 PolarHBondContact O-SG 2.89Å; L700-C704 VanDerWaalsContact O-SG 3.39Å; H701-C704 WeakPolarHBondContact O-CB 3.31Å; H701-C704 PolarHBondContact O-N 2.84Å; C704-S706 VanDerWaalsContact C-N 3.28Å; C704-S706 PolarHBondContact O-N 2.95Å; C704-A707 PolarHBondContact O-N 2.93Å; C704-L708 VanDerWaalsContact O-CG 3.29Å; C704-L708 WeakPolarHBondContact O-CG 3.42Å; C704-L708 PolarHBondContact O-N 3.48Å; C704-I761 VanDerWaalsContact SG-CD1 3.53Å
705I88.4Confident82.7Confident86 Ų8641.2 Ų41.244%0.44122%0.216SC..Hα-helixtrans-59.4-41.9177.2-71.3175.2000110.8H701 N702 L708 F709H701-I705 WeakPolarHBondContact NE2-CD1 3.45Å; H701-I705 WeakPolarHBondContact O-CG1 3.19Å; H701-I705 PolarHBondContact O-N 3.2Å; N702-I705 PolarHBondContact O-N 3.46Å; I705-L708 PolarHBondContact O-N 3.19Å; I705-F709 VanDerWaalsContact O-CB 3.32Å; I705-F709 WeakPolarHBondContact O-CB 3.2Å; I705-F709 PolarHBondContact O-N 3.05Å
706S83.8Confident81.9Confident7 Ų746.8 Ų46.85%0.04924%0.24CC..Hα-helixtrans-65.1-40.8179.878.20000113.5N702 S703 C704 F709 L710N702-S706 WeakPolarHBondContact O-CB 3.48Å; N702-S706 PolarHBondContact O-N 2.93Å; S703-S706 PolarHBondContact O-N 2.71Å; S703-S706 PolarHBondContact O-OG 3.11Å; C704-S706 VanDerWaalsContact C-N 3.28Å; C704-S706 PolarHBondContact O-N 2.95Å; S706-F709 PolarHBondContact O-N 3.02Å; S706-L710 PolarHBondContact O-N 3.46Å
707A85.3Confident81Confident4 Ų451.5 Ų51.53%0.03326%0.264CS..Hα-helixtrans-64.4-45.5176.100000110.2T385 S703 C704 F709 L710 L711 I761T385-A707 HydrophobicContact CG2-CB 4.1Å; S703-A707 PolarHBondContact O-N 3.05Å; C704-A707 PolarHBondContact O-N 2.93Å; A707-F709 VanDerWaalsContact C-N 3.35Å; A707-F709 PolarHBondContact O-N 2.97Å; A707-L710 PolarHBondContact O-N 3.21Å; A707-L711 WeakPolarHBondContact O-CB 3.35Å; A707-L711 VanDerWaalsContact O-CG 3.25Å; A707-L711 WeakPolarHBondContact O-CG 3.23Å; A707-L711 PolarHBondContact O-N 3.47Å; A707-I761 HydrophobicContact CB-CG2 3.78Å
708L86.8Confident79.9Confident82 Ų8252.7 Ų52.743%0.42927%0.266SS..Hα-helixtrans-60-44.3175.5-70.1173.5000111.9C704 I705 L711 F712 T728C704-L708 VanDerWaalsContact O-CG 3.29Å; C704-L708 WeakPolarHBondContact O-CG 3.42Å; C704-L708 PolarHBondContact O-N 3.48Å; I705-L708 PolarHBondContact O-N 3.19Å; L708-L711 PolarHBondContact O-N 3.24Å; L708-F712 WeakPolarHBondContact O-CB 3.43Å; L708-F712 PolarHBondContact O-N 3.42Å; L708-T728 HydrophobicContact CD2-CG2 3.32Å
709F84.2Confident78.9Confident124 Ų12452 Ų5254%0.54426%0.26SS..Hα-helixtrans-62-46.2177.7-173.1-95.6000111.2I705 S706 A707 F712 F713I705-F709 VanDerWaalsContact O-CB 3.32Å; I705-F709 WeakPolarHBondContact O-CB 3.2Å; I705-F709 PolarHBondContact O-N 3.05Å; S706-F709 PolarHBondContact O-N 3.02Å; A707-F709 VanDerWaalsContact C-N 3.35Å; A707-F709 PolarHBondContact O-N 2.97Å; F709-F712 WeakPolarHBondContact O-CB 3.42Å; F709-F712 PolarHBondContact O-N 3.33Å; F709-F713 AromaticContact CD1-CD2 3.7Å; F709-F713 HydrophobicContact CD1-CD2 3.7Å; F709-F713 AromaticContact CD1-CE2 3.96Å; F709-F713 HydrophobicContact CD1-CE2 3.96Å; F709-F713 HydrophobicContact CD2-CD2 4.19Å; F709-F713 AromaticContact CD2-CE2 3.89Å; F709-F713 HydrophobicContact CD2-CE2 3.89Å; F709-F713 AromaticContact CE1-CD2 3.46Å; F709-F713 HydrophobicContact CE1-CD2 3.46Å; F709-F713 VanDerWaalsContact CE1-CD2 3.46Å; F709-F713 AromaticContact CE1-CE2 3.35Å; F709-F713 HydrophobicContact CE1-CE2 3.35Å; F709-F713 HydrophobicContact CE1-CG 4.38Å; F709-F713 HydrophobicContact CE1-CZ 4.13Å; F709-F713 HydrophobicContact CE2-CD2 4Å; F709-F713 AromaticContact CE2-CE2 3.3Å; F709-F713 HydrophobicContact CE2-CE2 3.3Å; F709-F713 HydrophobicContact CE2-CZ 4.18Å; F709-F713 HydrophobicContact CG-CD2 4.08Å; F709-F713 HydrophobicContact CG-CE2 4.21Å; F709-F713 AromaticContact CZ-CD2 3.64Å; F709-F713 HydrophobicContact CZ-CD2 3.64Å; F709-F713 AromaticContact CZ-CE2 2.99Å; F709-F713 HydrophobicContact CZ-CE2 2.99Å; F709-F713 AromaticContact CZ-CZ 3.65Å; F709-F713 HydrophobicContact CZ-CZ 3.65Å; F709-F713 WeakPolarHBondContact O-CD2 3.45Å; F709-F713 PolarHBondContact O-N 3.21Å
710L82.4Confident78.4Confident44 Ų4454.9 Ų54.923%0.2328%0.276CS..Hα-helixtrans-66.6-38.5177-77.3-179.5000113.5M381 V384 S706 A707 F712 F713 S714M381-L710 HydrophobicContact CE-CB 3.75Å; M381-L710 HydrophobicContact CE-CD1 4.4Å; M381-L710 HydrophobicContact SD-CB 3.57Å; M381-L710 VanDerWaalsContact SD-CB 3.57Å; M381-L710 HydrophobicContact SD-CD1 3.53Å; M381-L710 VanDerWaalsContact SD-CD1 3.53Å; M381-L710 HydrophobicContact SD-CG 4.25Å; V384-L710 HydrophobicContact CB-CD1 3.49Å; V384-L710 VanDerWaalsContact CB-CD1 3.49Å; V384-L710 HydrophobicContact CG1-CD1 3.54Å; V384-L710 HydrophobicContact CG1-CG 4.12Å; V384-L710 HydrophobicContact CG2-CD1 3.77Å; S706-L710 PolarHBondContact O-N 3.46Å; A707-L710 PolarHBondContact O-N 3.21Å; L710-F712 VanDerWaalsContact C-N 3.28Å; L710-F712 PolarHBondContact O-N 3.13Å; L710-F713 PolarHBondContact O-N 2.88Å; L710-S714 VanDerWaalsContact O-CB 3.31Å; L710-S714 WeakPolarHBondContact O-CB 3.38Å; L710-S714 PolarHBondContact O-N 2.93Å; L710-S714 PolarHBondContact O-OG 3Å
711L82.2Confident77.8Confident6 Ų657.1 Ų57.13%0.03129%0.293CS..Hα-helixtrans-63.5-37.9172.8-70.1174.2000110.5M381 A707 L708 S714 A715 N724 I727 T728M381-L711 HydrophobicContact CE-CD2 4.14Å; A707-L711 WeakPolarHBondContact O-CB 3.35Å; A707-L711 VanDerWaalsContact O-CG 3.25Å; A707-L711 WeakPolarHBondContact O-CG 3.23Å; A707-L711 PolarHBondContact O-N 3.47Å; L708-L711 PolarHBondContact O-N 3.24Å; L711-S714 PolarHBondContact O-OG 2.73Å; L711-A715 PolarHBondContact O-N 3.42Å; L711-N724 HydrophobicContact CB-CB 4.36Å; L711-N724 WeakPolarHBondContact O-CB 3.44Å; L711-N724 PolarHBondContact O-ND2 3.23Å; L711-I727 HydrophobicContact CD1-CB 4.47Å; L711-I727 HydrophobicContact CD1-CG2 3.83Å; L711-I727 HydrophobicContact CD2-CB 4.3Å; L711-I727 HydrophobicContact CD2-CD1 4.33Å; L711-I727 HydrophobicContact CD2-CG2 3.84Å; L711-T728 WeakPolarHBondContact CD1-OG1 3.36Å
712F78.4Confident77.3Confident118 Ų11856.5 Ų56.552%0.51829%0.293SS..Hα-helixtrans-64.2-49.2172.8180-98.6000111.8L708 F709 L710 S714 A715 F716L708-F712 WeakPolarHBondContact O-CB 3.43Å; L708-F712 PolarHBondContact O-N 3.42Å; F709-F712 WeakPolarHBondContact O-CB 3.42Å; F709-F712 PolarHBondContact O-N 3.33Å; L710-F712 VanDerWaalsContact C-N 3.28Å; L710-F712 PolarHBondContact O-N 3.13Å; F712-S714 PolarHBondContact O-N 3.38Å; F712-A715 WeakPolarHBondContact O-CB 3.26Å; F712-A715 PolarHBondContact O-N 3.04Å; F712-A715 VanDerWaalsContact O-N 3.09Å; F712-F716 HydrophobicContact CD1-CE2 4.01Å; F712-F716 HydrophobicContact CD2-CE2 4.17Å; F712-F716 HydrophobicContact CE1-CD2 4.3Å; F712-F716 AromaticContact CE1-CE2 3.53Å; F712-F716 HydrophobicContact CE1-CE2 3.53Å; F712-F716 HydrophobicContact CE1-CZ 4.31Å; F712-F716 AromaticContact CE2-CE2 3.71Å; F712-F716 HydrophobicContact CE2-CE2 3.71Å; F712-F716 HydrophobicContact CE2-CZ 4.17Å; F712-F716 HydrophobicContact CG-CE2 4.32Å; F712-F716 AromaticContact CZ-CE2 3.38Å; F712-F716 HydrophobicContact CZ-CE2 3.38Å; F712-F716 AromaticContact CZ-CZ 3.81Å; F712-F716 HydrophobicContact CZ-CZ 3.81Å; F712-F716 VanDerWaalsContact O-CD2 3.26Å; F712-F716 WeakPolarHBondContact O-CD2 3.08Å
713F71.7Confident76.9Confident91 Ų9154.8 Ų54.840%0.39928%0.284SS..Hα-helixtrans-65.9-39.7-179.7-90.6-90.7000113.3F709 L710 A715 F716 L717F709-F713 AromaticContact CD1-CD2 3.7Å; F709-F713 HydrophobicContact CD1-CD2 3.7Å; F709-F713 AromaticContact CD1-CE2 3.96Å; F709-F713 HydrophobicContact CD1-CE2 3.96Å; F709-F713 HydrophobicContact CD2-CD2 4.19Å; F709-F713 AromaticContact CD2-CE2 3.89Å; F709-F713 HydrophobicContact CD2-CE2 3.89Å; F709-F713 AromaticContact CE1-CD2 3.46Å; F709-F713 HydrophobicContact CE1-CD2 3.46Å; F709-F713 VanDerWaalsContact CE1-CD2 3.46Å; F709-F713 AromaticContact CE1-CE2 3.35Å; F709-F713 HydrophobicContact CE1-CE2 3.35Å; F709-F713 HydrophobicContact CE1-CG 4.38Å; F709-F713 HydrophobicContact CE1-CZ 4.13Å; F709-F713 HydrophobicContact CE2-CD2 4Å; F709-F713 AromaticContact CE2-CE2 3.3Å; F709-F713 HydrophobicContact CE2-CE2 3.3Å; F709-F713 HydrophobicContact CE2-CZ 4.18Å; F709-F713 HydrophobicContact CG-CD2 4.08Å; F709-F713 HydrophobicContact CG-CE2 4.21Å; F709-F713 AromaticContact CZ-CD2 3.64Å; F709-F713 HydrophobicContact CZ-CD2 3.64Å; F709-F713 AromaticContact CZ-CE2 2.99Å; F709-F713 HydrophobicContact CZ-CE2 2.99Å; F709-F713 AromaticContact CZ-CZ 3.65Å; F709-F713 HydrophobicContact CZ-CZ 3.65Å; F709-F713 WeakPolarHBondContact O-CD2 3.45Å; F709-F713 PolarHBondContact O-N 3.21Å; L710-F713 PolarHBondContact O-N 2.88Å; F713-A715 PolarHBondContact O-N 3.38Å; F713-F716 PolarHBondContact O-N 3.46Å; F713-F716 VanDerWaalsContact O-N 3.09Å; F713-L717 PolarHBondContact O-N 3.42Å
714S75.1Confident76.8Confident11 Ų1155.2 Ų55.28%0.07729%0.286CS..Hα-helixtrans-64.1-23.1175.873.90000111.7L710 L711 F712 F716 L717 V718 A719 N724L710-S714 VanDerWaalsContact O-CB 3.31Å; L710-S714 WeakPolarHBondContact O-CB 3.38Å; L710-S714 PolarHBondContact O-N 2.93Å; L710-S714 PolarHBondContact O-OG 3Å; L711-S714 PolarHBondContact O-OG 2.73Å; F712-S714 PolarHBondContact O-N 3.38Å; S714-F716 PolarHBondContact O-N 2.93Å; S714-L717 PolarHBondContact O-N 3.3Å; S714-V718 PolarHBondContact O-N 2.77Å; S714-A719 PolarHBondContact O-N 3.29Å; S714-N724 PolarHBondContact OG-ND2 3.27Å; S714-N724 PolarHBondContact OG-OD1 2.92Å
715A70.1Confident76.6Confident9 Ų956.6 Ų56.67%0.07429%0.293CS..Hα-helixtrans-68.5-24.5177.100000112R3 L711 F712 F713 N724R3-A715 PolarHBondContact NH1-O 3.48Å; R3-A715 PolarHBondContact NH2-O 3.31Å; L711-A715 PolarHBondContact O-N 3.42Å; F712-A715 WeakPolarHBondContact O-CB 3.26Å; F712-A715 PolarHBondContact O-N 3.04Å; F712-A715 VanDerWaalsContact O-N 3.09Å; F713-A715 PolarHBondContact O-N 3.38Å; A715-N724 WeakPolarHBondContact CA-ND2 3.5Å; A715-N724 HydrophobicContact CB-CB 4.29Å; A715-N724 VanDerWaalsContact CB-ND2 3.26Å; A715-N724 WeakPolarHBondContact CB-ND2 3.32Å; A715-N724 PolarHBondContact N-ND2 3.48Å
716F61.1Low76.6Confident124 Ų12455 Ų5554%0.54428%0.282SS..Hα-helixtrans-87.7-40.7174.8-68.3-85.2000111.4R3 F712 F713 S714R3-F716 PolarHBondContact NE-O 3.32Å; R3-F716 PolarHBondContact NH2-O 3.46Å; F712-F716 HydrophobicContact CD1-CE2 4.01Å; F712-F716 HydrophobicContact CD2-CE2 4.17Å; F712-F716 HydrophobicContact CE1-CD2 4.3Å; F712-F716 AromaticContact CE1-CE2 3.53Å; F712-F716 HydrophobicContact CE1-CE2 3.53Å; F712-F716 HydrophobicContact CE1-CZ 4.31Å; F712-F716 AromaticContact CE2-CE2 3.71Å; F712-F716 HydrophobicContact CE2-CE2 3.71Å; F712-F716 HydrophobicContact CE2-CZ 4.17Å; F712-F716 HydrophobicContact CG-CE2 4.32Å; F712-F716 AromaticContact CZ-CE2 3.38Å; F712-F716 HydrophobicContact CZ-CE2 3.38Å; F712-F716 AromaticContact CZ-CZ 3.81Å; F712-F716 HydrophobicContact CZ-CZ 3.81Å; F712-F716 VanDerWaalsContact O-CD2 3.26Å; F712-F716 WeakPolarHBondContact O-CD2 3.08Å; F713-F716 PolarHBondContact O-N 3.46Å; F713-F716 VanDerWaalsContact O-N 3.09Å; S714-F716 PolarHBondContact O-N 2.93Å
717L59.1Low76.8Confident103 Ų10354.9 Ų54.954%0.53928%0.281SS..Hα-helixtrans-90.1-45.8-168.1-67169.9000114.8F713 S714F713-L717 PolarHBondContact O-N 3.42Å; S714-L717 PolarHBondContact O-N 3.3Å
718V60.1Low77Confident51 Ų5156.4 Ų56.431%0.30929%0.289SS..THydrogen-bonded Turntrans-129.7-55.1-163.6-175.10000112.4L6 S714L6-V718 HydrophobicContact CD2-CG2 3.94Å; S714-V718 PolarHBondContact O-N 2.77Å
719A65Low77.2Confident13 Ų1356.8 Ų56.811%0.10729%0.292CS..SBendtrans-89.4157.6-173.700000112.2R3 S714 I723R3-A719 PolarHBondContact NH1-O 3.47Å; S714-A719 PolarHBondContact O-N 3.29Å; A719-I723 HydrophobicContact CB-CB 4.41Å; A719-I723 HydrophobicContact CB-CD1 4.46Å; A719-I723 HydrophobicContact CB-CG2 4.46Å
720D72.5Confident77.7Confident63 Ų6351.3 Ų51.334%0.33727%0.268SS..  trans-66.4142.9166.1-164.5-57.9000109.3L722 I723 N724 V776D720-L722 PolarHBondContact O-N 2.88Å; D720-L722 VanDerWaalsContact O-N 3.13Å; D720-L722 PolarHBondContact OD1-N 3.43Å; D720-I723 HydrophobicContact CB-CD1 3.9Å; D720-I723 HydrophobicContact CB-CG1 4.1Å; D720-I723 WeakPolarHBondContact O-CB 3.41Å; D720-I723 PolarHBondContact O-N 3.04Å; D720-N724 PolarHBondContact O-N 3.32Å; D720-V776 HydrophobicContact CB-CG1 3.89Å
721S75.8Confident78.2Confident67 Ų6750 Ų5047%0.46926%0.262SS..Hα-helixtrans-56.5-31.7178.3-173.40000111.9N724 V725S721-N724 PolarHBondContact O-N 2.98Å; S721-V725 WeakPolarHBondContact O-CG2 3.22Å; S721-V725 PolarHBondContact O-N 3.49Å
722L79.8Confident78.7Confident101 Ų10153.7 Ų53.753%0.52929%0.285SS..Hα-helixtrans-66.7-37.7177.2-67.3174.2000112.4D720 N724 V725 W726 V776D720-L722 PolarHBondContact O-N 2.88Å; D720-L722 VanDerWaalsContact O-N 3.13Å; D720-L722 PolarHBondContact OD1-N 3.43Å; L722-N724 VanDerWaalsContact C-N 3.32Å; L722-N724 PolarHBondContact O-N 3.15Å; L722-V725 PolarHBondContact O-N 2.83Å; L722-W726 PolarHBondContact O-N 3.38Å; L722-W726 VanDerWaalsContact O-N 3.11Å; L722-V776 HydrophobicContact CB-CG1 4.48Å
723I79.5Confident79.5Confident7 Ų748.6 Ų48.64%0.03626%0.264CS..Hα-helixtrans-59.6-48.1178.4-66.7166.1000109.3A719 D720 V725 W726 I727 L772 V776A719-I723 HydrophobicContact CB-CB 4.41Å; A719-I723 HydrophobicContact CB-CD1 4.46Å; A719-I723 HydrophobicContact CB-CG2 4.46Å; D720-I723 HydrophobicContact CB-CD1 3.9Å; D720-I723 HydrophobicContact CB-CG1 4.1Å; D720-I723 WeakPolarHBondContact O-CB 3.41Å; D720-I723 PolarHBondContact O-N 3.04Å; I723-V725 PolarHBondContact O-N 2.99Å; I723-W726 PolarHBondContact O-N 2.96Å; I723-I727 HydrophobicContact CG2-CD1 3.56Å; I723-I727 HydrophobicContact CG2-CG1 4.22Å; I723-I727 WeakPolarHBondContact O-CG1 3.43Å; I723-I727 PolarHBondContact O-N 3.23Å; I723-L772 HydrophobicContact CG2-CB 4.28Å; I723-V776 HydrophobicContact CD1-CB 4Å; I723-V776 HydrophobicContact CD1-CG1 4.13Å; I723-V776 HydrophobicContact CG1-CB 3.56Å; I723-V776 HydrophobicContact CG1-CG1 3.77Å; I723-V776 HydrophobicContact CG1-CG2 3.65Å
724N83.1Confident80.7Confident9 Ų944.3 Ų44.35%0.04825%0.245CC..Hα-helixtrans-70.9-32.6-175.2-67.4-16.9000113L711 S714 A715 D720 S721 L722 T728L711-N724 HydrophobicContact CB-CB 4.36Å; L711-N724 WeakPolarHBondContact O-CB 3.44Å; L711-N724 PolarHBondContact O-ND2 3.23Å; S714-N724 PolarHBondContact OG-ND2 3.27Å; S714-N724 PolarHBondContact OG-OD1 2.92Å; A715-N724 WeakPolarHBondContact CA-ND2 3.5Å; A715-N724 HydrophobicContact CB-CB 4.29Å; A715-N724 VanDerWaalsContact CB-ND2 3.26Å; A715-N724 WeakPolarHBondContact CB-ND2 3.32Å; A715-N724 PolarHBondContact N-ND2 3.48Å; D720-N724 PolarHBondContact O-N 3.32Å; S721-N724 PolarHBondContact O-N 2.98Å; L722-N724 VanDerWaalsContact C-N 3.32Å; L722-N724 PolarHBondContact O-N 3.15Å; N724-T728 VanDerWaalsContact O-CB 3.24Å; N724-T728 WeakPolarHBondContact O-CB 3.31Å; N724-T728 PolarHBondContact O-N 3.25Å; N724-T728 PolarHBondContact O-OG1 3.18Å
725V85.3Confident81.6Confident69 Ų6944.4 Ų44.442%0.41824%0.244SC..Hα-helixtrans-60.5-47.8170.3170.30000110.4S721 L722 I723 T728 L729S721-V725 WeakPolarHBondContact O-CG2 3.22Å; S721-V725 PolarHBondContact O-N 3.49Å; L722-V725 PolarHBondContact O-N 2.83Å; I723-V725 PolarHBondContact O-N 2.99Å; V725-T728 PolarHBondContact O-N 2.89Å; V725-L729 HydrophobicContact CG1-CD1 4.01Å; V725-L729 WeakPolarHBondContact O-CG 3.42Å; V725-L729 PolarHBondContact O-N 2.91Å
726W86.9Confident82.8Confident51 Ų5146.5 Ų46.519%0.19325%0.252CS..Hα-helixtrans-69-39.7-179.3-73.7116.7000113.7L722 I723 T728 L729 T730 L772 I845 L846 L849L722-W726 PolarHBondContact O-N 3.38Å; L722-W726 VanDerWaalsContact O-N 3.11Å; I723-W726 PolarHBondContact O-N 2.96Å; W726-T728 VanDerWaalsContact C-N 3.31Å; W726-T728 PolarHBondContact O-N 3.15Å; W726-L729 HydrophobicContact CE3-CD1 4Å; W726-L729 HydrophobicContact CH2-CD1 4.48Å; W726-L729 HydrophobicContact CZ3-CD1 3.89Å; W726-L729 PolarHBondContact O-N 2.94Å; W726-T730 WeakPolarHBondContact O-CB 3.49Å; W726-T730 PolarHBondContact O-N 2.97Å; W726-T730 PolarHBondContact O-OG1 3.42Å; W726-L772 HydrophobicContact CB-CD1 3.79Å; W726-L772 HydrophobicContact CB-CD2 3.69Å; W726-L772 HydrophobicContact CB-CG 4.4Å; W726-L772 HydrophobicContact CG-CD2 4.22Å; W726-I845 HydrophobicContact CE3-CG2 4.38Å; W726-I845 HydrophobicContact CH2-CG2 3.79Å; W726-I845 HydrophobicContact CZ3-CG2 3.61Å; W726-L846 HydrophobicContact CD2-CD2 4.48Å; W726-L846 HydrophobicContact CG-CD2 4.47Å; W726-L849 HydrophobicContact CH2-CD1 3.55Å; W726-L849 HydrophobicContact CH2-CD2 4.4Å; W726-L849 HydrophobicContact CZ2-CD1 3.14Å; W726-L849 HydrophobicContact CZ2-CD2 3.99Å; W726-L849 HydrophobicContact CZ2-CG 4.17Å
727I89.2Confident84.5Confident6 Ų640.6 Ų40.63%0.03123%0.226CC..Hα-helixtrans-60.1-46.9173.4-66.6169.3000109.2L711 I723 L729 T730 V731 I765 A769 L772L711-I727 HydrophobicContact CD1-CB 4.47Å; L711-I727 HydrophobicContact CD1-CG2 3.83Å; L711-I727 HydrophobicContact CD2-CB 4.3Å; L711-I727 HydrophobicContact CD2-CD1 4.33Å; L711-I727 HydrophobicContact CD2-CG2 3.84Å; I723-I727 HydrophobicContact CG2-CD1 3.56Å; I723-I727 HydrophobicContact CG2-CG1 4.22Å; I723-I727 WeakPolarHBondContact O-CG1 3.43Å; I723-I727 PolarHBondContact O-N 3.23Å; I727-L729 PolarHBondContact O-N 2.81Å; I727-T730 PolarHBondContact O-N 3.03Å; I727-V731 HydrophobicContact CG2-CG2 4.18Å; I727-V731 VanDerWaalsContact O-CG2 3.31Å; I727-V731 WeakPolarHBondContact O-CG2 3.22Å; I727-V731 PolarHBondContact O-N 3.29Å; I727-I765 HydrophobicContact CG2-CG1 3.94Å; I727-A769 HydrophobicContact CD1-CB 3.49Å; I727-A769 VanDerWaalsContact CD1-CB 3.49Å; I727-A769 HydrophobicContact CG1-CB 4.18Å; I727-L772 HydrophobicContact CB-CD1 4.41Å; I727-L772 HydrophobicContact CG1-CD1 3.52Å
728T89.5Confident86.4Confident35 Ų3535.7 Ų35.722%0.21520%0.2CC..Hα-helixtrans-58.9-49.8179.2-60.70000111.7L708 L711 N724 V725 W726 T730 V731 V732L708-T728 HydrophobicContact CD2-CG2 3.32Å; L711-T728 WeakPolarHBondContact CD1-OG1 3.36Å; N724-T728 VanDerWaalsContact O-CB 3.24Å; N724-T728 WeakPolarHBondContact O-CB 3.31Å; N724-T728 PolarHBondContact O-N 3.25Å; N724-T728 PolarHBondContact O-OG1 3.18Å; V725-T728 PolarHBondContact O-N 2.89Å; W726-T728 VanDerWaalsContact C-N 3.31Å; W726-T728 PolarHBondContact O-N 3.15Å; T728-T730 VanDerWaalsContact C-N 3.27Å; T728-T730 PolarHBondContact O-N 2.89Å; T728-V731 PolarHBondContact O-N 3.35Å; T728-V732 HydrophobicContact CG2-CG2 4.4Å; T728-V732 WeakPolarHBondContact O-CB 3.44Å; T728-V732 VanDerWaalsContact O-CG2 3.29Å; T728-V732 WeakPolarHBondContact O-CG2 3.34Å; T728-V732 PolarHBondContact O-N 3.15Å
729L91.2Very high88.1Confident91 Ų9134.5 Ų34.548%0.47619%0.192SC..Hα-helixtrans-61.5-37.4178.3-70.7173.7000112.2V725 W726 I727 S733V725-L729 HydrophobicContact CG1-CD1 4.01Å; V725-L729 WeakPolarHBondContact O-CG 3.42Å; V725-L729 PolarHBondContact O-N 2.91Å; W726-L729 HydrophobicContact CE3-CD1 4Å; W726-L729 HydrophobicContact CH2-CD1 4.48Å; W726-L729 HydrophobicContact CZ3-CD1 3.89Å; W726-L729 PolarHBondContact O-N 2.94Å; I727-L729 PolarHBondContact O-N 2.81Å; L729-S733 VanDerWaalsContact O-CB 3.32Å; L729-S733 WeakPolarHBondContact O-CB 3.24Å; L729-S733 PolarHBondContact O-N 3.49Å
730T93.3Very high89.6Confident9 Ų933.9 Ų33.96%0.05519%0.187CC..Hα-helixtrans-68.4-47.6178.4-540000110.8W726 I727 T728 V732 S733 V734 T764 C768 H837W726-T730 WeakPolarHBondContact O-CB 3.49Å; W726-T730 PolarHBondContact O-N 2.97Å; W726-T730 PolarHBondContact O-OG1 3.42Å; I727-T730 PolarHBondContact O-N 3.03Å; T728-T730 VanDerWaalsContact C-N 3.27Å; T728-T730 PolarHBondContact O-N 2.89Å; T730-V732 PolarHBondContact O-N 2.99Å; T730-S733 PolarHBondContact O-N 2.94Å; T730-V734 HydrophobicContact CG2-CG2 4.42Å; T730-V734 VanDerWaalsContact O-CG2 3.31Å; T730-V734 WeakPolarHBondContact O-CG2 3.34Å; T730-V734 PolarHBondContact O-N 3.41Å; T730-T764 HydrophobicContact CG2-CG2 4.07Å; T730-C768 HydrophobicContact CG2-CB 4.39Å; T730-H837 HydrophobicContact CG2-CB 4.03Å
731V93.1Very high90.8Very high16 Ų1633.3 Ų33.310%0.09718%0.181CC..Hα-helixtrans-59.1-47.2176.4170.30000110.8I727 T728 S733 V734 E735 I761 T764 I765I727-V731 HydrophobicContact CG2-CG2 4.18Å; I727-V731 VanDerWaalsContact O-CG2 3.31Å; I727-V731 WeakPolarHBondContact O-CG2 3.22Å; I727-V731 PolarHBondContact O-N 3.29Å; T728-V731 PolarHBondContact O-N 3.35Å; V731-S733 VanDerWaalsContact C-N 3.32Å; V731-S733 PolarHBondContact O-N 3.37Å; V731-V734 PolarHBondContact O-N 2.98Å; V731-E735 HydrophobicContact CG1-CG 4.27Å; V731-E735 WeakPolarHBondContact O-CB 3.31Å; V731-E735 WeakPolarHBondContact O-CG 3.47Å; V731-E735 PolarHBondContact O-N 3.1Å; V731-I761 HydrophobicContact CG1-CB 4.48Å; V731-I761 HydrophobicContact CG1-CG1 4.47Å; V731-I761 HydrophobicContact CG1-CG2 4.04Å; V731-T764 HydrophobicContact CG2-CG2 3.94Å; V731-I765 HydrophobicContact CG2-CD1 4.32Å; V731-I765 HydrophobicContact CG2-CG1 3.73Å
732V93.3Very high91.7Very high84 Ų8430.3 Ų30.351%0.50916%0.16SC..Hα-helixtrans-60.2-43177.4170.20000111.2T728 T730 F736T728-V732 HydrophobicContact CG2-CG2 4.4Å; T728-V732 WeakPolarHBondContact O-CB 3.44Å; T728-V732 VanDerWaalsContact O-CG2 3.29Å; T728-V732 WeakPolarHBondContact O-CG2 3.34Å; T728-V732 PolarHBondContact O-N 3.15Å; T730-V732 PolarHBondContact O-N 2.99Å; V732-F736 WeakPolarHBondContact O-CB 3.29Å; V732-F736 PolarHBondContact O-N 2.91Å
733S96Very high92.4Very high11 Ų1126.5 Ų26.58%0.07714%0.141CC..Hα-helixtrans-66.1-41.4178.5-167.40000112.4Y508 Y511 L729 T730 V731 G737 H837Y508-S733 WeakPolarHBondContact CE2-OG 3.31Å; Y508-S733 PolarHBondContact OH-OG 3.2Å; Y511-S733 PolarHBondContact OH-O 2.88Å; L729-S733 VanDerWaalsContact O-CB 3.32Å; L729-S733 WeakPolarHBondContact O-CB 3.24Å; L729-S733 PolarHBondContact O-N 3.49Å; T730-S733 PolarHBondContact O-N 2.94Å; V731-S733 VanDerWaalsContact C-N 3.32Å; V731-S733 PolarHBondContact O-N 3.37Å; S733-G737 PolarHBondContact O-N 3.38Å; S733-H837 PolarHBondContact OG-NE2 3.03Å
734V96.6Very high93.2Very high0 Ų029 Ų290%015%0.154CC..Hα-helixtrans-66-50.9176.8173.10000110.9T730 V731 F736 G737 V738 T764 V833 H837T730-V734 HydrophobicContact CG2-CG2 4.42Å; T730-V734 VanDerWaalsContact O-CG2 3.31Å; T730-V734 WeakPolarHBondContact O-CG2 3.34Å; T730-V734 PolarHBondContact O-N 3.41Å; V731-V734 PolarHBondContact O-N 2.98Å; V734-F736 VanDerWaalsContact C-N 3.34Å; V734-F736 PolarHBondContact O-N 2.8Å; V734-G737 PolarHBondContact O-N 3.03Å; V734-V738 HydrophobicContact CG1-CG2 4.05Å; V734-V738 WeakPolarHBondContact O-CB 3.43Å; V734-V738 VanDerWaalsContact O-CG2 3.27Å; V734-V738 WeakPolarHBondContact O-CG2 3.41Å; V734-V738 PolarHBondContact O-N 3.34Å; V734-T764 HydrophobicContact CB-CG2 4.23Å; V734-T764 WeakPolarHBondContact CG1-OG1 3.33Å; V734-T764 HydrophobicContact CG2-CG2 3.83Å; V734-V833 HydrophobicContact CB-CG1 4.27Å; V734-V833 HydrophobicContact CG1-CB 4.46Å; V734-V833 HydrophobicContact CG1-CG1 3.96Å; V734-V833 HydrophobicContact CG2-CG1 4.16Å; V734-H837 HydrophobicContact CG2-CB 4.09Å
735E93.7Very high93.8Very high13 Ų1333.1 Ų33.16%0.06117%0.169CC..Hα-helixtrans-57.4-47.1178.6-75.7-62.9133.800111.4V731 G737 V738 I739 I761V731-E735 HydrophobicContact CG1-CG 4.27Å; V731-E735 WeakPolarHBondContact O-CB 3.31Å; V731-E735 WeakPolarHBondContact O-CG 3.47Å; V731-E735 PolarHBondContact O-N 3.1Å; E735-G737 VanDerWaalsContact C-N 3.34Å; E735-G737 PolarHBondContact O-N 2.65Å; E735-V738 PolarHBondContact O-N 3.05Å; E735-I739 VanDerWaalsContact O-CG1 3.29Å; E735-I739 WeakPolarHBondContact O-CG1 3.46Å; E735-I739 PolarHBondContact O-N 2.92Å; E735-I761 HydrophobicContact CG-CG1 4.02Å; E735-I761 WeakPolarHBondContact OE1-CG1 3.18Å; E735-I761 PolarHBondContact OE1-N 3.05Å
736F95.6Very high94.1Very high54 Ų5438.7 Ų38.724%0.23719%0.187CC..Hα-helixtrans-58.4-45.1177-180-104.3000112.2A515 L516 Y519 V732 V734 G740A515-F736 HydrophobicContact CB-CD1 3.73Å; A515-F736 HydrophobicContact CB-CE1 3.61Å; L516-F736 HydrophobicContact CB-CE1 4.26Å; L516-F736 HydrophobicContact CB-CZ 3.91Å; L516-F736 HydrophobicContact CD1-CZ 3.9Å; Y519-F736 AromaticContact CD1-CE2 3.95Å; Y519-F736 HydrophobicContact CD1-CE2 3.95Å; Y519-F736 AromaticContact CD2-CD2 3.7Å; Y519-F736 HydrophobicContact CD2-CD2 3.7Å; Y519-F736 AromaticContact CD2-CE2 3.7Å; Y519-F736 HydrophobicContact CD2-CE2 3.7Å; Y519-F736 HydrophobicContact CE2-CD2 4.12Å; Y519-F736 HydrophobicContact CE2-CE2 4.31Å; Y519-F736 HydrophobicContact CG-CD2 4.01Å; Y519-F736 AromaticContact CG-CE2 3.5Å; Y519-F736 HydrophobicContact CG-CE2 3.5Å; Y519-F736 HydrophobicContact CG-CZ 4.35Å; V732-F736 WeakPolarHBondContact O-CB 3.29Å; V732-F736 PolarHBondContact O-N 2.91Å; V734-F736 VanDerWaalsContact C-N 3.34Å; V734-F736 PolarHBondContact O-N 2.8Å; F736-G740 PolarHBondContact O-N 3Å
737G97.1Very high94.4Very high0 Ų036.5 Ų36.50%018%0.18CC..Hα-helixtrans-67.3-44.417700000113.4Y511 S733 V734 E735 I739 G740 F741Y511-G737 VanDerWaalsContact OH-CA 3.24Å; Y511-G737 WeakPolarHBondContact OH-CA 3.02Å; S733-G737 PolarHBondContact O-N 3.38Å; V734-G737 PolarHBondContact O-N 3.03Å; E735-G737 VanDerWaalsContact C-N 3.34Å; E735-G737 PolarHBondContact O-N 2.65Å; G737-I739 VanDerWaalsContact C-N 3.33Å; G737-I739 PolarHBondContact O-N 2.77Å; G737-G740 PolarHBondContact O-N 3.37Å; G737-F741 WeakPolarHBondContact O-CD2 3.5Å; G737-F741 PolarHBondContact O-N 3.4Å
738V97.5Very high94.4Very high0 Ų039.1 Ų39.10%019%0.192CC..Hα-helixtrans-59.4-46.2179.2172.90000110.2V734 E735 G740 F741 M742 L757 L829 I830 V833V734-V738 HydrophobicContact CG1-CG2 4.05Å; V734-V738 WeakPolarHBondContact O-CB 3.43Å; V734-V738 VanDerWaalsContact O-CG2 3.27Å; V734-V738 WeakPolarHBondContact O-CG2 3.41Å; V734-V738 PolarHBondContact O-N 3.34Å; E735-V738 PolarHBondContact O-N 3.05Å; V738-G740 VanDerWaalsContact C-N 3.35Å; V738-G740 PolarHBondContact O-N 2.88Å; V738-F741 PolarHBondContact O-N 3.5Å; V738-M742 HydrophobicContact CG1-CG 4.24Å; V738-M742 HydrophobicContact CG1-SD 3.73Å; V738-M742 VanDerWaalsContact O-CB 3.25Å; V738-M742 WeakPolarHBondContact O-CB 3.37Å; V738-M742 WeakPolarHBondContact O-CG 3.3Å; V738-M742 PolarHBondContact O-N 3.29Å; V738-L757 HydrophobicContact CB-CD2 4.24Å; V738-L757 HydrophobicContact CG1-CD2 3.62Å; V738-L829 HydrophobicContact CG1-CB 4.39Å; V738-I830 HydrophobicContact CG1-CG1 3.79Å; V738-I830 HydrophobicContact CG2-CG1 4Å; V738-V833 HydrophobicContact CG2-CB 4.19Å; V738-V833 HydrophobicContact CG2-CG1 4.47Å; V738-V833 HydrophobicContact CG2-CG2 4.27Å
739I95.2Very high94.3Very high26 Ų2639 Ų3913%0.13319%0.19CC..Hα-helixtrans-59.8-45.2175.7-67.2168.2000111.2Y519 V522 E735 G737 T743 L757Y519-I739 HydrophobicContact CD2-CB 4.34Å; Y519-I739 HydrophobicContact CD2-CG2 3.74Å; Y519-I739 HydrophobicContact CE2-CG2 4.14Å; V522-I739 HydrophobicContact CG2-CG2 3.57Å; E735-I739 VanDerWaalsContact O-CG1 3.29Å; E735-I739 WeakPolarHBondContact O-CG1 3.46Å; E735-I739 PolarHBondContact O-N 2.92Å; G737-I739 VanDerWaalsContact C-N 3.33Å; G737-I739 PolarHBondContact O-N 2.77Å; I739-T743 PolarHBondContact O-N 2.74Å; I739-T743 PolarHBondContact O-OG1 3.47Å; I739-T743 VanDerWaalsContact O-OG1 3.05Å; I739-L757 HydrophobicContact CD1-CD1 4.35Å; I739-L757 HydrophobicContact CG1-CD1 3.88Å; I739-L757 HydrophobicContact CG1-CD2 3.82Å
740G96.6Very high94.1Very high0 Ų034.9 Ų34.90%017%0.168CC..Hα-helixtrans-60.2-53.4176.900000112.6A515 G518 F736 G737 V738 M742 T743 L744A515-G740 WeakPolarHBondContact O-CA 3.12Å; G518-G740 WeakPolarHBondContact CA-O 3.49Å; F736-G740 PolarHBondContact O-N 3Å; G737-G740 PolarHBondContact O-N 3.37Å; V738-G740 VanDerWaalsContact C-N 3.35Å; V738-G740 PolarHBondContact O-N 2.88Å; G740-M742 VanDerWaalsContact C-N 3.34Å; G740-M742 PolarHBondContact O-N 3.05Å; G740-T743 WeakPolarHBondContact O-CB 3.02Å; G740-T743 PolarHBondContact O-N 2.93Å; G740-L744 WeakPolarHBondContact O-CG 3.29Å; G740-L744 PolarHBondContact O-N 2.75Å; G740-L744 VanDerWaalsContact O-N 3.11Å
741F98Very high93.8Very high51 Ų5134.6 Ų34.622%0.22417%0.166CC..Hα-helixtrans-69-29.4-179.1-72-67.4000113.4Y511 F514 A515 G737 V738 T743 L744 W745 L829Y511-F741 AromaticContact CD2-CE2 3.49Å; Y511-F741 HydrophobicContact CD2-CE2 3.49Å; Y511-F741 VanDerWaalsContact CD2-CE2 3.49Å; Y511-F741 HydrophobicContact CD2-CZ 4.05Å; Y511-F741 HydrophobicContact CE2-CD2 4.26Å; Y511-F741 AromaticContact CE2-CE2 3.55Å; Y511-F741 HydrophobicContact CE2-CE2 3.55Å; F514-F741 HydrophobicContact CB-CE1 3.83Å; F514-F741 HydrophobicContact CB-CZ 3.84Å; A515-F741 HydrophobicContact CB-CE2 4.49Å; G737-F741 WeakPolarHBondContact O-CD2 3.5Å; G737-F741 PolarHBondContact O-N 3.4Å; V738-F741 PolarHBondContact O-N 3.5Å; F741-T743 VanDerWaalsContact C-N 3.32Å; F741-L744 HydrophobicContact CD1-CD1 4.1Å; F741-L744 HydrophobicContact CE1-CD1 4.34Å; F741-L744 PolarHBondContact O-N 3.15Å; F741-W745 VanDerWaalsContact O-CB 3.25Å; F741-W745 WeakPolarHBondContact O-CB 3.26Å; F741-W745 PolarHBondContact O-N 3.41Å; F741-L829 HydrophobicContact CB-CD1 3.89Å; F741-L829 HydrophobicContact CB-CD2 3.8Å; F741-L829 HydrophobicContact CB-CG 4.47Å
742M95.8Very high93.8Very high4 Ų434 Ų342%0.0216%0.163CC..Hα-helixtrans-57-49.1170.6-83.717044.700110.5V738 G740 W745 K746 V747 S753 L757 C826 L829V738-M742 HydrophobicContact CG1-CG 4.24Å; V738-M742 HydrophobicContact CG1-SD 3.73Å; V738-M742 VanDerWaalsContact O-CB 3.25Å; V738-M742 WeakPolarHBondContact O-CB 3.37Å; V738-M742 WeakPolarHBondContact O-CG 3.3Å; V738-M742 PolarHBondContact O-N 3.29Å; G740-M742 VanDerWaalsContact C-N 3.34Å; G740-M742 PolarHBondContact O-N 3.05Å; M742-W745 CarbonylContact O-C 3.55Å; M742-W745 VanDerWaalsContact O-C 3.29Å; M742-W745 WeakPolarHBondContact O-CA 3.35Å; M742-W745 PolarHBondContact O-N 3.36Å; M742-W745 VanDerWaalsContact O-N 3.08Å; M742-K746 PolarHBondContact O-N 3Å; M742-V747 HydrophobicContact CB-CB 4.12Å; M742-V747 HydrophobicContact CE-CG1 4.14Å; M742-V747 HydrophobicContact CG-CB 4.49Å; M742-V747 WeakPolarHBondContact O-CB 3.5Å; M742-V747 PolarHBondContact O-N 3.41Å; M742-S753 VanDerWaalsContact CE-CB 3.49Å; M742-L757 HydrophobicContact CE-CD1 4.31Å; M742-L757 HydrophobicContact SD-CD1 4.46Å; M742-L757 HydrophobicContact SD-CD2 3.96Å; M742-L757 HydrophobicContact SD-CG 4.28Å; M742-C826 HydrophobicContact SD-CB 4.43Å; M742-C826 VanDerWaalsContact SD-SG 3.62Å; M742-L829 HydrophobicContact CB-CD1 4.41Å; M742-L829 HydrophobicContact CG-CD1 3.8Å
743T94.3Very high93.7Very high21 Ų2130 Ų3013%0.12914%0.138CC..Hα-helixtrans-62.1-47.1179.1-540000111.3G518 Q521 V522 I739 G740 F741 W745 K746G518-T743 WeakPolarHBondContact O-CB 3.43Å; G518-T743 WeakPolarHBondContact O-CG2 3.45Å; G518-T743 PolarHBondContact O-OG1 3.42Å; Q521-T743 VanDerWaalsContact C-CG2 3.48Å; Q521-T743 HydrophobicContact CB-CG2 3.79Å; Q521-T743 VanDerWaalsContact O-CG2 3.22Å; Q521-T743 WeakPolarHBondContact O-CG2 3.31Å; V522-T743 WeakPolarHBondContact CG2-OG1 3.36Å; I739-T743 PolarHBondContact O-N 2.74Å; I739-T743 PolarHBondContact O-OG1 3.47Å; I739-T743 VanDerWaalsContact O-OG1 3.05Å; G740-T743 WeakPolarHBondContact O-CB 3.02Å; G740-T743 PolarHBondContact O-N 2.93Å; F741-T743 VanDerWaalsContact C-N 3.32Å; T743-W745 PolarHBondContact O-N 3.49Å; T743-K746 PolarHBondContact O-N 3.39Å
744L95.9Very high93.6Very high60 Ų6029.6 Ų29.631%0.31414%0.135SC..Hα-helixtrans-61.7-28.1175.8-60.3-178.8000112.5F514 M517 G740 F741 K746F514-L744 HydrophobicContact CB-CD1 4.32Å; F514-L744 HydrophobicContact CD1-CD1 4.38Å; M517-L744 HydrophobicContact CE-CD1 3.93Å; M517-L744 HydrophobicContact CE-CD2 3.42Å; M517-L744 VanDerWaalsContact CE-CD2 3.42Å; M517-L744 HydrophobicContact CE-CG 4.33Å; G740-L744 WeakPolarHBondContact O-CG 3.29Å; G740-L744 PolarHBondContact O-N 2.75Å; G740-L744 VanDerWaalsContact O-N 3.11Å; F741-L744 HydrophobicContact CD1-CD1 4.1Å; F741-L744 HydrophobicContact CE1-CD1 4.34Å; F741-L744 PolarHBondContact O-N 3.15Å; L744-K746 VanDerWaalsContact C-N 3.28Å; L744-K746 PolarHBondContact O-N 2.87Å
745W95.1Very high93.4Very high95 Ų9529.8 Ų29.836%0.3614%0.137SC..THydrogen-bonded Turntrans-91.519175.2-150.7-1.3000113.6F741 M742 T743 V747 F824 R825 F828 L829F741-W745 VanDerWaalsContact O-CB 3.25Å; F741-W745 WeakPolarHBondContact O-CB 3.26Å; F741-W745 PolarHBondContact O-N 3.41Å; M742-W745 CarbonylContact O-C 3.55Å; M742-W745 VanDerWaalsContact O-C 3.29Å; M742-W745 WeakPolarHBondContact O-CA 3.35Å; M742-W745 PolarHBondContact O-N 3.36Å; M742-W745 VanDerWaalsContact O-N 3.08Å; T743-W745 PolarHBondContact O-N 3.49Å; W745-V747 VanDerWaalsContact C-N 3.3Å; W745-V747 PolarHBondContact O-N 2.82Å; W745-F824 HydrophobicContact CH2-CE1 4.05Å; W745-F824 HydrophobicContact CZ2-CE1 4.38Å; W745-R825 HydrophobicContact CD2-CB 4.27Å; W745-R825 HydrophobicContact CD2-CG 3.84Å; W745-R825 HydrophobicContact CE3-CB 3.87Å; W745-R825 HydrophobicContact CE3-CG 3.88Å; W745-R825 HydrophobicContact CG-CG 4.44Å; W745-R825 HydrophobicContact CH2-CG 4.2Å; W745-R825 HydrophobicContact CZ2-CG 4.16Å; W745-R825 HydrophobicContact CZ3-CB 4.08Å; W745-R825 HydrophobicContact CZ3-CG 4.05Å; W745-R825 PolarHBondContact O-NH1 2.69Å; W745-F828 HydrophobicContact CH2-CD1 4.01Å; W745-F828 HydrophobicContact CH2-CE1 4.44Å; W745-F828 AromaticContact CZ3-CD1 3.92Å; W745-F828 HydrophobicContact CZ3-CD1 3.92Å; W745-L829 HydrophobicContact CE3-CD1 3.9Å; W745-L829 HydrophobicContact CE3-CD2 4.03Å; W745-L829 HydrophobicContact CE3-CG 3.83Å; W745-L829 HydrophobicContact CZ3-CD1 4.48Å; W745-L829 HydrophobicContact CZ3-CD2 4.12Å; W745-L829 HydrophobicContact CZ3-CG 3.92Å
746K92.7Very high93.5Very high185 Ų18529.4 Ų29.480%0.80414%0.135SC*.THydrogen-bonded Turntrans54.743.8177.6-56.3-177.1177.4-175.40112.6M742 T743 L744 R825M742-K746 PolarHBondContact O-N 3Å; T743-K746 PolarHBondContact O-N 3.39Å; L744-K746 VanDerWaalsContact C-N 3.28Å; L744-K746 PolarHBondContact O-N 2.87Å; K746-R825 PolarHBondContact O-NH1 3.42Å
747V92.1Very high93.5Very high5 Ų526.9 Ų26.93%0.0312%0.124CC..  trans-109.8117.4170.1-179.40000107.8M742 W745 T822 R825M742-V747 HydrophobicContact CB-CB 4.12Å; M742-V747 HydrophobicContact CE-CG1 4.14Å; M742-V747 HydrophobicContact CG-CB 4.49Å; M742-V747 WeakPolarHBondContact O-CB 3.5Å; M742-V747 PolarHBondContact O-N 3.41Å; W745-V747 VanDerWaalsContact C-N 3.3Å; W745-V747 PolarHBondContact O-N 2.82Å; V747-T822 HydrophobicContact CG1-CG2 3.82Å; V747-R825 HydrophobicContact CG2-CB 3.84Å; V747-R825 HydrophobicContact CG2-CG 4.28Å
748E88.9Confident93.3Very high62 Ų6226.9 Ų26.929%0.2912%0.124SC..  trans-78.4157.8177.1-52.5-175.5146.700110.5G525 N530 D750 S753G525-E748 WeakPolarHBondContact CA-OE2 3.48Å; N530-E748 PolarHBondContact ND2-OE2 3.16Å; E748-D750 PolarHBondContact O-N 3.36Å; E748-D750 VanDerWaalsContact O-N 3.09Å; E748-S753 PolarHBondContact O-OG 2.98Å
749L87.8Confident93.2Very high33 Ų3326.9 Ų26.917%0.17312%0.124CC..BIsolated β-bridgetrans-7599.5172-166.566.7000108.5V522 S523 G525 L696 S753 V754 L757V522-L749 HydrophobicContact CG1-CB 4.26Å; V522-L749 HydrophobicContact CG1-CD2 4.49Å; S523-L749 PolarHBondContact O-N 3.04Å; G525-L749 PolarHBondContact N-O 3.08Å; L696-L749 VanDerWaalsContact CD2-C 3.49Å; L696-L749 HydrophobicContact CD2-CG 4.21Å; L696-L749 WeakPolarHBondContact CD2-O 3.33Å; L749-S753 WeakPolarHBondContact CA-OG 3.38Å; L749-V754 HydrophobicContact CD1-CG2 3.73Å; L749-V754 HydrophobicContact CG-CG2 4.12Å; L749-L757 HydrophobicContact CD1-CD1 3.9Å
750D87.7Confident93.3Very high4 Ų425.6 Ų25.62%0.02112%0.118CC..  trans-125.7-177.6-179.575.910.2000110.5G525 L696 E748 I752 S753 V754G525-D750 VanDerWaalsContact O-CB 3.31Å; G525-D750 WeakPolarHBondContact O-CB 3.39Å; L696-D750 VanDerWaalsContact CD2-CA 3.45Å; E748-D750 PolarHBondContact O-N 3.36Å; E748-D750 VanDerWaalsContact O-N 3.09Å; D750-I752 PolarHBondContact O-N 2.87Å; D750-I752 WeakPolarHBondContact OD1-CA 3.37Å; D750-I752 WeakPolarHBondContact OD1-CB 3.22Å; D750-I752 PolarHBondContact OD1-N 3.01Å; D750-S753 PolarHBondContact N-OG 3.03Å; D750-S753 PolarHBondContact O-N 3.23Å; D750-S753 PolarHBondContact O-OG 2.78Å; D750-S753 PolarHBondContact OD1-N 2.95Å; D750-S753 PolarHBondContact OD1-OG 3.39Å; D750-V754 PolarHBondContact O-N 3.02Å
751C87.9Confident93.2Very high2 Ų225.6 Ų25.61%0.01412%0.118CC..Hα-helixtrans-64.7-32.3-175-178.20000111.5L56 L696 L755L56-C751 HydrophobicContact CD2-CB 4.26Å; L696-C751 VanDerWaalsContact CD1-CA 3.44Å; L696-C751 HydrophobicContact CD1-CB 3.88Å; C751-L755 WeakPolarHBondContact O-CD1 3.49Å; C751-L755 WeakPolarHBondContact O-CG 3.42Å; C751-L755 PolarHBondContact O-N 2.92Å
752I91.2Very high93Very high4 Ų423.2 Ų23.22%0.02111%0.107CC..Hα-helixtrans-75.9-45.4-176.7-55.9-59.7000109.6T328 D750 V754 L755 C756 L819 T822 L823T328-I752 HydrophobicContact CG2-CD1 3.67Å; D750-I752 PolarHBondContact O-N 2.87Å; D750-I752 WeakPolarHBondContact OD1-CA 3.37Å; D750-I752 WeakPolarHBondContact OD1-CB 3.22Å; D750-I752 PolarHBondContact OD1-N 3.01Å; I752-V754 PolarHBondContact O-N 3.13Å; I752-L755 PolarHBondContact O-N 3.37Å; I752-C756 PolarHBondContact O-N 3.37Å; I752-C756 PolarHBondContact O-SG 3.3Å; I752-L819 HydrophobicContact CD1-CD1 4.02Å; I752-L819 HydrophobicContact CD1-CG 4.13Å; I752-L819 HydrophobicContact CG1-CD1 4.41Å; I752-L819 HydrophobicContact CG1-CG 4.15Å; I752-T822 HydrophobicContact CB-CG2 4.12Å; I752-T822 HydrophobicContact CG2-CG2 4Å; I752-L823 HydrophobicContact CG2-CD2 3.45Å; I752-L823 VanDerWaalsContact CG2-CD2 3.45Å; I752-L823 HydrophobicContact CG2-CG 3.63Å
753S92.7Very high93Very high0 Ų023.2 Ų23.20%011%0.107CC..Hα-helixtrans-67.8-35.8-179.169.90000112.2M742 E748 L749 D750 L755 C756 L757M742-S753 VanDerWaalsContact CE-CB 3.49Å; E748-S753 PolarHBondContact O-OG 2.98Å; L749-S753 WeakPolarHBondContact CA-OG 3.38Å; D750-S753 PolarHBondContact N-OG 3.03Å; D750-S753 PolarHBondContact O-N 3.23Å; D750-S753 PolarHBondContact O-OG 2.78Å; D750-S753 PolarHBondContact OD1-N 2.95Å; D750-S753 PolarHBondContact OD1-OG 3.39Å; S753-L755 PolarHBondContact O-N 3.21Å; S753-C756 WeakPolarHBondContact O-CB 3.39Å; S753-C756 PolarHBondContact O-N 3.11Å; S753-L757 WeakPolarHBondContact O-CG 3.32Å; S753-L757 PolarHBondContact O-N 2.99Å
754V92.7Very high93Very high2 Ų222.2 Ų22.21%0.01210%0.101CC..Hα-helixtrans-60.1-41.9169.7162.50000112.6L696 P699 L700 L749 D750 I752 C756 L757 I758L696-V754 HydrophobicContact CD2-CG2 4.26Å; L696-V754 HydrophobicContact CG-CG2 3.92Å; P699-V754 HydrophobicContact CG-CG1 4.15Å; L700-V754 HydrophobicContact CB-CG1 4.09Å; L749-V754 HydrophobicContact CD1-CG2 3.73Å; L749-V754 HydrophobicContact CG-CG2 4.12Å; D750-V754 PolarHBondContact O-N 3.02Å; I752-V754 PolarHBondContact O-N 3.13Å; V754-C756 VanDerWaalsContact C-N 3.3Å; V754-C756 PolarHBondContact O-N 2.94Å; V754-L757 PolarHBondContact O-N 2.95Å; V754-I758 HydrophobicContact CG1-CD1 4.16Å; V754-I758 WeakPolarHBondContact O-CG1 3.34Å; V754-I758 PolarHBondContact O-N 3.41Å
755L92.5Very high92.9Very high5 Ų519.6 Ų19.63%0.0269%0.087CC..Hα-helixtrans-64.9-37.2177.2-67.5167.5000111.8A399 F402 C751 I752 S753 Y759A399-L755 HydrophobicContact CB-CD2 3.88Å; F402-L755 HydrophobicContact CB-CD1 3.9Å; F402-L755 HydrophobicContact CB-CD2 4.07Å; F402-L755 HydrophobicContact CD1-CB 4.17Å; F402-L755 HydrophobicContact CD1-CD1 4.07Å; F402-L755 HydrophobicContact CD1-CD2 3.57Å; F402-L755 HydrophobicContact CD1-CG 4.13Å; F402-L755 HydrophobicContact CD2-CD1 4.02Å; F402-L755 HydrophobicContact CE1-CB 4.09Å; F402-L755 HydrophobicContact CE1-CD2 4.27Å; F402-L755 HydrophobicContact CG-CD1 3.73Å; F402-L755 HydrophobicContact CG-CD2 3.97Å; F402-L755 HydrophobicContact CG-CG 4.3Å; F402-L755 HydrophobicContact CZ-CB 4.45Å; C751-L755 WeakPolarHBondContact O-CD1 3.49Å; C751-L755 WeakPolarHBondContact O-CG 3.42Å; C751-L755 PolarHBondContact O-N 2.92Å; I752-L755 PolarHBondContact O-N 3.37Å; S753-L755 PolarHBondContact O-N 3.21Å; L755-Y759 PolarHBondContact O-N 2.9Å
756C95.5Very high92.7Very high5 Ų515.1 Ų15.13%0.0347%0.07CC..Hα-helixtrans-63.5-41.9171.6-67.10000112.1I752 S753 V754 Y759 G760 C826 L827 I830I752-C756 PolarHBondContact O-N 3.37Å; I752-C756 PolarHBondContact O-SG 3.3Å; S753-C756 WeakPolarHBondContact O-CB 3.39Å; S753-C756 PolarHBondContact O-N 3.11Å; V754-C756 VanDerWaalsContact C-N 3.3Å; V754-C756 PolarHBondContact O-N 2.94Å; C756-Y759 CarbonylContact O-C 3.57Å; C756-Y759 WeakPolarHBondContact O-CB 3.28Å; C756-Y759 PolarHBondContact O-N 3.5Å; C756-G760 PolarHBondContact O-N 3.34Å; C756-C826 HydrophobicContact CB-CB 3.46Å; C756-C826 VanDerWaalsContact CB-CB 3.46Å; C756-L827 HydrophobicContact CB-CD2 4.17Å; C756-I830 HydrophobicContact CB-CD1 4.07Å; C756-I830 WeakPolarHBondContact O-CD1 3.34Å
757L95.3Very high92.7Very high0 Ų06.5 Ų6.50%03%0.033CC..Hα-helixtrans-64.5-42.1178.4-68.7168.7000112.2L700 V738 I739 M742 L749 S753 V754 Y759 G760 I761L700-L757 HydrophobicContact CD1-CB 3.64Å; L700-L757 HydrophobicContact CD2-CB 4.18Å; L700-L757 HydrophobicContact CD2-CD1 3.74Å; V738-L757 HydrophobicContact CB-CD2 4.24Å; V738-L757 HydrophobicContact CG1-CD2 3.62Å; I739-L757 HydrophobicContact CD1-CD1 4.35Å; I739-L757 HydrophobicContact CG1-CD1 3.88Å; I739-L757 HydrophobicContact CG1-CD2 3.82Å; M742-L757 HydrophobicContact CE-CD1 4.31Å; M742-L757 HydrophobicContact SD-CD1 4.46Å; M742-L757 HydrophobicContact SD-CD2 3.96Å; M742-L757 HydrophobicContact SD-CG 4.28Å; L749-L757 HydrophobicContact CD1-CD1 3.9Å; S753-L757 WeakPolarHBondContact O-CG 3.32Å; S753-L757 PolarHBondContact O-N 2.99Å; V754-L757 PolarHBondContact O-N 2.95Å; L757-Y759 PolarHBondContact O-N 2.96Å; L757-G760 WeakPolarHBondContact O-CA 3.45Å; L757-G760 PolarHBondContact O-N 2.85Å; L757-I761 PolarHBondContact O-N 2.88Å
758I94.4Very high92.7Very high0 Ų06.3 Ų6.30%03%0.032CC..Hα-helixtrans-57.6-40.4173.3-65.5169.5000111.1F386 P699 L700 V754 N762F386-I758 HydrophobicContact CD1-CG2 3.89Å; F386-I758 HydrophobicContact CE1-CG2 3.76Å; P699-I758 HydrophobicContact CB-CD1 4.01Å; L700-I758 HydrophobicContact CD1-CG1 4.2Å; V754-I758 HydrophobicContact CG1-CD1 4.16Å; V754-I758 WeakPolarHBondContact O-CG1 3.34Å; V754-I758 PolarHBondContact O-N 3.41Å; I758-N762 PolarHBondContact O-ND2 2.91Å
759Y95.6Very high92.7Very high0 Ų03.9 Ų3.90%02%0.022CC..Hα-helixtrans-65.9-40.1172.4166.9-109.8000112.4V335 G338 Y382 L755 C756 L757 I761 N762 Y763 Y805 L827 I830V335-Y759 HydrophobicContact CB-CD2 4.11Å; V335-Y759 HydrophobicContact CB-CE2 4.28Å; V335-Y759 HydrophobicContact CG1-CD2 3.69Å; V335-Y759 HydrophobicContact CG1-CE2 4.03Å; V335-Y759 HydrophobicContact CG2-CD2 3.93Å; V335-Y759 HydrophobicContact CG2-CE2 4.44Å; V335-Y759 HydrophobicContact CG2-CG 4Å; G338-Y759 WeakPolarHBondContact CA-OH 3.05Å; Y382-Y759 HydrophobicContact CE1-CD2 4.05Å; Y382-Y759 HydrophobicContact CE1-CE2 4.22Å; L755-Y759 PolarHBondContact O-N 2.9Å; C756-Y759 CarbonylContact O-C 3.57Å; C756-Y759 WeakPolarHBondContact O-CB 3.28Å; C756-Y759 PolarHBondContact O-N 3.5Å; L757-Y759 PolarHBondContact O-N 2.96Å; Y759-I761 VanDerWaalsContact C-N 3.31Å; Y759-I761 PolarHBondContact O-N 3.28Å; Y759-N762 PolarHBondContact O-N 3.05Å; Y759-Y763 HydrophobicContact CE1-CD2 4.21Å; Y759-Y763 HydrophobicContact CE1-CG 4.27Å; Y759-Y763 HydrophobicContact CE2-CD2 4.29Å; Y759-Y763 AromaticContact CZ-CD2 3.62Å; Y759-Y763 PolarHBondContact O-N 3.42Å; Y759-Y763 WeakPolarHBondContact OH-CD2 3.48Å; Y759-Y805 VanDerWaalsContact CE1-OH 3.23Å; Y759-Y805 WeakPolarHBondContact CE1-OH 3.33Å; Y759-Y805 WeakPolarHBondContact OH-CE2 3.27Å; Y759-Y805 PolarHBondContact OH-OH 3.48Å; Y759-L827 HydrophobicContact CD1-CD2 3.49Å; Y759-L827 VanDerWaalsContact CD1-CD2 3.49Å; Y759-L827 HydrophobicContact CE1-CD2 3.74Å; Y759-I830 HydrophobicContact CD1-CD1 4.44Å
760G95.8Very high92.7Very high0 Ų02.5 Ų2.50%02%0.015CC..Hα-helixtrans-55.9-40.4-179.800000114.2C756 L757 N762 Y763 T764C756-G760 PolarHBondContact O-N 3.34Å; L757-G760 WeakPolarHBondContact O-CA 3.45Å; L757-G760 PolarHBondContact O-N 2.85Å; G760-N762 VanDerWaalsContact C-N 3.32Å; G760-N762 PolarHBondContact O-N 3.08Å; G760-Y763 PolarHBondContact O-N 3.13Å; G760-T764 WeakPolarHBondContact O-CB 3.45Å; G760-T764 PolarHBondContact O-N 3.33Å; G760-T764 PolarHBondContact O-OG1 3.04Å
761I94.5Very high92.6Very high0 Ų02.4 Ų2.40%02%0.015CC..Hα-helixtrans-52.1-53.1172.5-62.7169000110.2L700 C704 A707 V731 E735 L757 Y759 T764 I765L700-I761 HydrophobicContact CD1-CD1 4.29Å; C704-I761 VanDerWaalsContact SG-CD1 3.53Å; A707-I761 HydrophobicContact CB-CG2 3.78Å; V731-I761 HydrophobicContact CG1-CB 4.48Å; V731-I761 HydrophobicContact CG1-CG1 4.47Å; V731-I761 HydrophobicContact CG1-CG2 4.04Å; E735-I761 HydrophobicContact CG-CG1 4.02Å; E735-I761 WeakPolarHBondContact OE1-CG1 3.18Å; E735-I761 PolarHBondContact OE1-N 3.05Å; L757-I761 PolarHBondContact O-N 2.88Å; Y759-I761 VanDerWaalsContact C-N 3.31Å; Y759-I761 PolarHBondContact O-N 3.28Å; I761-T764 PolarHBondContact O-N 2.99Å; I761-I765 HydrophobicContact CG2-CD1 4.15Å; I761-I765 WeakPolarHBondContact O-CG1 3.31Å; I761-I765 PolarHBondContact O-N 2.73Å
762N94.3Very high92.6Very high1 Ų12.3 Ų2.31%0.0051%0.014CC..Hα-helixtrans-75.3-38.4-174.2-64.2-72.8000112.5M381 Y382 T385 I758 Y759 G760 T764 I765 D766M381-N762 PolarHBondContact O-OD1 3.34Å; Y382-N762 HydrophobicContact CD1-CB 3.47Å; Y382-N762 VanDerWaalsContact CD1-CB 3.47Å; Y382-N762 HydrophobicContact CD2-CB 3.88Å; Y382-N762 HydrophobicContact CE1-CB 3.23Å; Y382-N762 HydrophobicContact CE2-CB 3.6Å; Y382-N762 HydrophobicContact CG-CB 3.83Å; Y382-N762 PolarHBondContact N-OD1 3.49Å; T385-N762 VanDerWaalsContact OG1-CG 3.3Å; T385-N762 PolarHBondContact OG1-ND2 3.17Å; T385-N762 PolarHBondContact OG1-OD1 3.39Å; I758-N762 PolarHBondContact O-ND2 2.91Å; Y759-N762 PolarHBondContact O-N 3.05Å; G760-N762 VanDerWaalsContact C-N 3.32Å; G760-N762 PolarHBondContact O-N 3.08Å; N762-T764 VanDerWaalsContact C-N 3.26Å; N762-T764 PolarHBondContact O-N 3.35Å; N762-I765 PolarHBondContact O-N 3.35Å; N762-I765 VanDerWaalsContact O-N 3.12Å; N762-D766 PolarHBondContact O-N 2.77Å
763Y96Very high92.3Very high4 Ų43.6 Ų3.62%0.0162%0.024CC..Hα-helixtrans-60.4-38.7174.7-174.3-95.4000111.4Y382 Y759 G760 D766 N767 I830 A831 T834Y382-Y763 PolarHBondContact OH-N 3.48Å; Y759-Y763 HydrophobicContact CE1-CD2 4.21Å; Y759-Y763 HydrophobicContact CE1-CG 4.27Å; Y759-Y763 HydrophobicContact CE2-CD2 4.29Å; Y759-Y763 AromaticContact CZ-CD2 3.62Å; Y759-Y763 PolarHBondContact O-N 3.42Å; Y759-Y763 WeakPolarHBondContact OH-CD2 3.48Å; G760-Y763 PolarHBondContact O-N 3.13Å; Y763-D766 PolarHBondContact O-N 3.35Å; Y763-N767 WeakPolarHBondContact CE1-ND2 3.46Å; Y763-N767 PolarHBondContact O-N 3.46Å; Y763-N767 PolarHBondContact O-ND2 3.2Å; Y763-I830 HydrophobicContact CD1-CG2 3.77Å; Y763-I830 HydrophobicContact CG-CG2 4.15Å; Y763-A831 HydrophobicContact CE1-CB 4.31Å; Y763-T834 HydrophobicContact CD1-CG2 3.91Å; Y763-T834 HydrophobicContact CE1-CG2 3.91Å
764T95.4Very high92Very high0 Ų05.1 Ų5.10%03%0.033CC..Hα-helixtrans-63-44.1173.9-560000111.4T730 V731 V734 G760 I761 N762 N767 C768 T834T730-T764 HydrophobicContact CG2-CG2 4.07Å; V731-T764 HydrophobicContact CG2-CG2 3.94Å; V734-T764 HydrophobicContact CB-CG2 4.23Å; V734-T764 WeakPolarHBondContact CG1-OG1 3.33Å; V734-T764 HydrophobicContact CG2-CG2 3.83Å; G760-T764 WeakPolarHBondContact O-CB 3.45Å; G760-T764 PolarHBondContact O-N 3.33Å; G760-T764 PolarHBondContact O-OG1 3.04Å; I761-T764 PolarHBondContact O-N 2.99Å; N762-T764 VanDerWaalsContact C-N 3.26Å; N762-T764 PolarHBondContact O-N 3.35Å; T764-N767 PolarHBondContact O-N 3.47Å; T764-C768 WeakPolarHBondContact O-CB 2.88Å; T764-C768 PolarHBondContact O-N 3.28Å; T764-T834 PolarHBondContact OG1-OG1 3.01Å
765I91.9Very high91.6Very high4 Ų46.5 Ų6.52%0.0214%0.039CC..Hα-helixtrans-63.4-43.3178.9-67.8167.8000111.4T378 M381 I727 V731 I761 N762 N767 C768 A769T378-I765 HydrophobicContact CG2-CG2 4.27Å; M381-I765 HydrophobicContact CG-CG2 4.37Å; I727-I765 HydrophobicContact CG2-CG1 3.94Å; V731-I765 HydrophobicContact CG2-CD1 4.32Å; V731-I765 HydrophobicContact CG2-CG1 3.73Å; I761-I765 HydrophobicContact CG2-CD1 4.15Å; I761-I765 WeakPolarHBondContact O-CG1 3.31Å; I761-I765 PolarHBondContact O-N 2.73Å; N762-I765 PolarHBondContact O-N 3.35Å; N762-I765 VanDerWaalsContact O-N 3.12Å; I765-N767 VanDerWaalsContact C-N 3.26Å; I765-N767 PolarHBondContact O-N 3.28Å; I765-C768 PolarHBondContact O-N 3.26Å; I765-A769 HydrophobicContact CG2-CB 4.07Å; I765-A769 WeakPolarHBondContact O-CB 3.18Å; I765-A769 PolarHBondContact O-N 3.38Å
766D91.8Very high91Very high1 Ų17.9 Ų7.91%0.0055%0.047CC..Hα-helixtrans-52.7-45177.9-87.6-20.8000112H339 Y342 T378 Y382 N762 Y763 P770H339-D766 IonicContact ND1-OD2 2.83Å; Y342-D766 HydrophobicContact CD1-CB 4.07Å; Y342-D766 HydrophobicContact CE1-CB 4.46Å; Y342-D766 WeakPolarHBondContact CE2-O 3.29Å; Y342-D766 HydrophobicContact CG-CB 4.25Å; T378-D766 WeakPolarHBondContact CB-OD1 3.49Å; T378-D766 PolarHBondContact OG1-OD1 3.02Å; Y382-D766 WeakPolarHBondContact CE2-OD2 3.43Å; Y382-D766 VanDerWaalsContact CZ-OD2 3.27Å; Y382-D766 PolarHBondContact OH-OD2 2.97Å; N762-D766 PolarHBondContact O-N 2.77Å; Y763-D766 PolarHBondContact O-N 3.35Å; D766-P770 VanDerWaalsContact O-CD 3.31Å; D766-P770 WeakPolarHBondContact O-CD 3.42Å; D766-P770 WeakPolarHBondContact O-CG 3.31Å
767N92.5Very high90.2Very high4 Ų412.1 Ų12.12%0.0217%0.069CC..Hα-helixtrans-84.5-39.2-174.2-65.1-73.8000112.2Y763 T764 I765 I798 T834Y763-N767 WeakPolarHBondContact CE1-ND2 3.46Å; Y763-N767 PolarHBondContact O-N 3.46Å; Y763-N767 PolarHBondContact O-ND2 3.2Å; T764-N767 PolarHBondContact O-N 3.47Å; I765-N767 VanDerWaalsContact C-N 3.26Å; I765-N767 PolarHBondContact O-N 3.28Å; N767-I798 HydrophobicContact CB-CG2 4.22Å; N767-I798 VanDerWaalsContact O-CD1 3.26Å; N767-I798 WeakPolarHBondContact O-CD1 3.44Å; N767-I798 WeakPolarHBondContact OD1-CG2 3.39Å; N767-T834 HydrophobicContact CB-CG2 4.02Å
768C92.1Very high89.2Confident1 Ų113.1 Ų13.11%0.0078%0.079CC..Hα-helixtrans-90.4-32.7-172.1-63.20000114.4T730 T764 I765 M771 L772 L842T730-C768 HydrophobicContact CG2-CB 4.39Å; T764-C768 WeakPolarHBondContact O-CB 2.88Å; T764-C768 PolarHBondContact O-N 3.28Å; I765-C768 PolarHBondContact O-N 3.26Å; C768-M771 PolarHBondContact O-N 3.04Å; C768-L772 WeakPolarHBondContact O-CB 3.25Å; C768-L772 PolarHBondContact O-N 2.83Å; C768-L842 HydrophobicContact CB-CD2 4.18Å
769A88.9Confident88.2Confident11 Ų1119.4 Ų19.49%0.09111%0.106CC..Hα-helixtrans-64.8-45.4-17300000114.4I727 I765 M771 L772 S773I727-A769 HydrophobicContact CD1-CB 3.49Å; I727-A769 VanDerWaalsContact CD1-CB 3.49Å; I727-A769 HydrophobicContact CG1-CB 4.18Å; I765-A769 HydrophobicContact CG2-CB 4.07Å; I765-A769 WeakPolarHBondContact O-CB 3.18Å; I765-A769 PolarHBondContact O-N 3.38Å; A769-M771 VanDerWaalsContact C-N 3.33Å; A769-M771 PolarHBondContact O-N 3.36Å; A769-L772 PolarHBondContact O-N 3.35Å; A769-S773 WeakPolarHBondContact O-CB 3.3Å; A769-S773 PolarHBondContact O-N 2.81Å
770P87.1Confident86.9Confident4 Ų426.7 Ų26.73%0.02615%0.146CC..Hα-helixtrans-62.2-41.9177.1-15.926.8000111.8Y342 D766 L772 S773 T774 H794Y342-P770 WeakPolarHBondContact OH-CG 3.21Å; D766-P770 VanDerWaalsContact O-CD 3.31Å; D766-P770 WeakPolarHBondContact O-CD 3.42Å; D766-P770 WeakPolarHBondContact O-CG 3.31Å; P770-L772 PolarHBondContact O-N 2.87Å; P770-S773 PolarHBondContact O-N 2.73Å; P770-T774 PolarHBondContact O-N 3.42Å; P770-T774 PolarHBondContact O-OG1 3.39Å; P770-H794 PolarHBondContact O-NE2 2.62Å
771M86.9Confident85.8Confident2 Ų232.5 Ų32.51%0.0117%0.171CC..Hα-helixtrans-62.5-44.1178.9-165.8-179.2120.500111.7C768 A769 T774 F775 A790 L791 C838 L842 P843C768-M771 PolarHBondContact O-N 3.04Å; A769-M771 VanDerWaalsContact C-N 3.33Å; A769-M771 PolarHBondContact O-N 3.36Å; M771-T774 PolarHBondContact O-N 2.91Å; M771-F775 PolarHBondContact O-N 3.23Å; M771-A790 HydrophobicContact CG-CB 3.8Å; M771-L791 HydrophobicContact CE-CD2 4.27Å; M771-L791 HydrophobicContact SD-CD2 3.84Å; M771-L791 HydrophobicContact SD-CG 4.47Å; M771-C838 WeakPolarHBondContact CE-O 3.3Å; M771-L842 HydrophobicContact CE-CB 4.45Å; M771-L842 HydrophobicContact CE-CD2 4.13Å; M771-L842 HydrophobicContact CE-CG 4.36Å; M771-P843 HydrophobicContact CE-CG 3.59Å
772L88.3Confident85.2Confident0 Ų037.1 Ų37.10%020%0.199CC..Hα-helixtrans-65.2-41.2175.1-80.2166.1000112.7I723 W726 I727 C768 A769 P770 F775 V776 L842 L846I723-L772 HydrophobicContact CG2-CB 4.28Å; W726-L772 HydrophobicContact CB-CD1 3.79Å; W726-L772 HydrophobicContact CB-CD2 3.69Å; W726-L772 HydrophobicContact CB-CG 4.4Å; W726-L772 HydrophobicContact CG-CD2 4.22Å; I727-L772 HydrophobicContact CB-CD1 4.41Å; I727-L772 HydrophobicContact CG1-CD1 3.52Å; C768-L772 WeakPolarHBondContact O-CB 3.25Å; C768-L772 PolarHBondContact O-N 2.83Å; A769-L772 PolarHBondContact O-N 3.35Å; P770-L772 PolarHBondContact O-N 2.87Å; L772-F775 PolarHBondContact O-N 3.3Å; L772-V776 WeakPolarHBondContact O-CB 3.28Å; L772-V776 WeakPolarHBondContact O-CG2 3.4Å; L772-V776 PolarHBondContact O-N 3.17Å; L772-L842 HydrophobicContact CD1-CD1 4.43Å; L772-L842 HydrophobicContact CD1-CD2 4.01Å; L772-L842 HydrophobicContact CD2-CD1 4.04Å; L772-L842 HydrophobicContact CD2-CD2 4.14Å; L772-L842 HydrophobicContact CD2-CG 4.26Å; L772-L842 HydrophobicContact CG-CD2 3.84Å; L772-L846 HydrophobicContact CD2-CD1 3.81Å; L772-L846 HydrophobicContact CD2-CD2 3.89Å; L772-L846 HydrophobicContact CD2-CG 4.39Å
773S84.5Confident84.4Confident32 Ų3240.3 Ų40.322%0.22421%0.211CC..Hα-helixtrans-59.2-49.5176.6-174.70000111.2A769 P770 F775 V776 L777A769-S773 WeakPolarHBondContact O-CB 3.3Å; A769-S773 PolarHBondContact O-N 2.81Å; P770-S773 PolarHBondContact O-N 2.73Å; S773-F775 VanDerWaalsContact C-N 3.34Å; S773-F775 PolarHBondContact O-N 2.75Å; S773-V776 PolarHBondContact O-N 3.39Å; S773-L777 VanDerWaalsContact O-CB 3.28Å; S773-L777 WeakPolarHBondContact O-CB 3.46Å; S773-L777 WeakPolarHBondContact O-CG 3.39Å; S773-L777 PolarHBondContact O-N 2.85Å
774T85Confident84Confident31 Ų3142.2 Ų42.219%0.1922%0.224CC..Hα-helixtrans-62.7-38.6178.1-65.50000112.3P770 M771 G778 A790 H794P770-T774 PolarHBondContact O-N 3.42Å; P770-T774 PolarHBondContact O-OG1 3.39Å; M771-T774 PolarHBondContact O-N 2.91Å; T774-G778 PolarHBondContact O-N 3.16Å; T774-A790 HydrophobicContact CG2-CB 4.07Å; T774-H794 PolarHBondContact OG1-NE2 2.99Å
775F84.8Confident83.6Confident32 Ų3247.3 Ų47.314%0.1425%0.246CC..Hα-helixtrans-65.5-50.2175.3173.2-99.5000112.6M771 L772 S773 G778 R783 W786 V787 A790 L846M771-F775 PolarHBondContact O-N 3.23Å; L772-F775 PolarHBondContact O-N 3.3Å; S773-F775 VanDerWaalsContact C-N 3.34Å; S773-F775 PolarHBondContact O-N 2.75Å; F775-G778 PolarHBondContact O-N 3.27Å; F775-R783 HydrophobicContact CE2-CB 4.23Å; F775-R783 HydrophobicContact CZ-CB 4.43Å; F775-R783 HydrophobicContact CZ-CG 4.36Å; F775-W786 HydrophobicContact CD2-CB 3.87Å; F775-W786 HydrophobicContact CE2-CB 4.19Å; F775-V787 HydrophobicContact CD2-CG2 3.67Å; F775-V787 HydrophobicContact CE2-CG2 3.56Å; F775-A790 HydrophobicContact CB-CB 4.36Å; F775-L846 HydrophobicContact CB-CD1 4.34Å; F775-L846 HydrophobicContact CD1-CB 4.3Å; F775-L846 HydrophobicContact CD1-CD1 3.85Å; F775-L846 HydrophobicContact CD1-CD2 3.81Å; F775-L846 HydrophobicContact CD1-CG 4.19Å; F775-L846 HydrophobicContact CD2-CB 4.45Å; F775-L846 HydrophobicContact CD2-CD1 4.39Å; F775-L846 HydrophobicContact CE1-CB 3.89Å; F775-L846 HydrophobicContact CE1-CD1 4.27Å; F775-L846 HydrophobicContact CE1-CD2 3.64Å; F775-L846 HydrophobicContact CE1-CG 4.12Å; F775-L846 HydrophobicContact CE2-CB 4.06Å; F775-L846 HydrophobicContact CG-CD1 3.92Å; F775-L846 HydrophobicContact CZ-CB 3.76Å; F775-L846 HydrophobicContact CZ-CD2 4.37Å; F775-L846 HydrophobicContact CZ-CG 4.48Å; F775-L846 WeakPolarHBondContact CZ-O 3.22Å
776V80.1Confident83.3Confident33 Ų3349.6 Ų49.620%0.225%0.254CS..Hα-helixtrans-72.8-33.6-173.9174.60000112.3D720 L722 I723 L772 S773 G778D720-V776 HydrophobicContact CB-CG1 3.89Å; L722-V776 HydrophobicContact CB-CG1 4.48Å; I723-V776 HydrophobicContact CD1-CB 4Å; I723-V776 HydrophobicContact CD1-CG1 4.13Å; I723-V776 HydrophobicContact CG1-CB 3.56Å; I723-V776 HydrophobicContact CG1-CG1 3.77Å; I723-V776 HydrophobicContact CG1-CG2 3.65Å; L772-V776 WeakPolarHBondContact O-CB 3.28Å; L772-V776 WeakPolarHBondContact O-CG2 3.4Å; L772-V776 PolarHBondContact O-N 3.17Å; S773-V776 PolarHBondContact O-N 3.39Å; V776-G778 PolarHBondContact O-N 3.4Å
777L78.3Confident83.2Confident95 Ų9549.6 Ų49.650%0.49725%0.254SS..Hα-helixtrans-74.8-11.6177-66.5175.8000113.1S773S773-L777 VanDerWaalsContact O-CB 3.28Å; S773-L777 WeakPolarHBondContact O-CB 3.46Å; S773-L777 WeakPolarHBondContact O-CG 3.39Å; S773-L777 PolarHBondContact O-N 2.85Å
778G75.3Confident83.1Confident20 Ų2051.7 Ų51.721%0.20626%0.263CS..  trans-59.8137.9175.700000113.3T774 F775 V776 W786T774-G778 PolarHBondContact O-N 3.16Å; F775-G778 PolarHBondContact O-N 3.27Å; V776-G778 PolarHBondContact O-N 3.4Å; G778-W786 VanDerWaalsContact CA-CD2 3.44Å
779K72.8Confident82.9Confident132 Ų13254.3 Ų54.357%0.57428%0.277SS*.  trans-128.3159.4178-63.8-177.8-176.7175.40111.2F781 W786K779-F781 WeakPolarHBondContact O-CD2 3.33Å; K779-F781 PolarHBondContact O-N 3.43Å; K779-W786 WeakPolarHBondContact O-CZ2 3.44Å; K779-W786 PolarHBondContact O-NE1 3Å; K779-W786 VanDerWaalsContact O-NE1 3.12Å
780D68.4Low83Confident154 Ų15453.9 Ų53.982%0.82427%0.273SS*.SBendtrans63.89.2164-48.5-46.1000117.7
781F72.1Confident83.2Confident121 Ų12153.7 Ų53.753%0.53127%0.272SS..SBendtrans-133.5168.7175.7-62.2-76.5000113.3K779 K785 W786K779-F781 WeakPolarHBondContact O-CD2 3.33Å; K779-F781 PolarHBondContact O-N 3.43Å; F781-K785 HydrophobicContact CB-CB 4.33Å; F781-K785 HydrophobicContact CB-CD 4.04Å; F781-K785 HydrophobicContact CB-CG 4.46Å; F781-K785 HydrophobicContact CD1-CD 3.71Å; F781-K785 HydrophobicContact CE1-CD 4.37Å; F781-K785 VanDerWaalsContact CE1-NZ 3.25Å; F781-K785 HydrophobicContact CG-CD 3.93Å; F781-W786 AromaticContact CD2-CE2 3.98Å; F781-W786 AromaticContact CD2-CZ2 3.74Å; F781-W786 HydrophobicContact CD2-CZ2 3.74Å; F781-W786 AromaticContact CD2-NE1 3.96Å; F781-W786 HydrophobicContact CE2-CZ2 4.42Å
782T82.1Confident83.3Confident97 Ų9756 Ų5660%0.59528%0.283SS*.  trans-64.3150.4174.663.30000111.6T784 K785 W786T782-T784 VanDerWaalsContact C-N 3.29Å; T782-T784 PolarHBondContact O-N 2.97Å; T782-K785 WeakPolarHBondContact O-CB 3.45Å; T782-K785 PolarHBondContact O-N 2.93Å; T782-K785 WeakPolarHBondContact OG1-CB 3.38Å; T782-K785 PolarHBondContact OG1-N 2.93Å; T782-W786 PolarHBondContact O-N 3.48Å; T782-W786 VanDerWaalsContact O-N 3.15Å
783R78.9Confident83.3Confident68 Ų6857.4 Ų57.426%0.25729%0.291SS..Hα-helixtrans-58.5-42.4178.6-67.2-177.8-121.2147.3-5.6112.4F775 K785 W786 V787 T847 F848 L849F775-R783 HydrophobicContact CE2-CB 4.23Å; F775-R783 HydrophobicContact CZ-CB 4.43Å; F775-R783 HydrophobicContact CZ-CG 4.36Å; R783-K785 PolarHBondContact O-N 3.3Å; R783-W786 PolarHBondContact O-N 3.44Å; R783-V787 WeakPolarHBondContact O-CG2 3.17Å; R783-V787 PolarHBondContact O-N 2.88Å; R783-T847 PolarHBondContact NH1-O 3.27Å; R783-F848 PolarHBondContact NH1-O 2.85Å; R783-L849 WeakPolarHBondContact CD-O 3.5Å; R783-L849 PolarHBondContact NE-O 3.46Å; R783-L849 VanDerWaalsContact NH1-N 3.11Å; R783-L849 PolarHBondContact NH1-O 3.12Å; R783-L849 PolarHBondContact NH2-O 2.72Å
784T85.6Confident83.6Confident45 Ų4556.3 Ų56.328%0.27628%0.283SS..Hα-helixtrans-53-45.1174.8-59.60000111T496 T782 W786 V787 K788T496-T784 HydrophobicContact CG2-CG2 4.1Å; T782-T784 VanDerWaalsContact C-N 3.29Å; T782-T784 PolarHBondContact O-N 2.97Å; T784-W786 PolarHBondContact O-N 3.34Å; T784-V787 PolarHBondContact O-N 3.31Å; T784-K788 VanDerWaalsContact O-CG 3.3Å; T784-K788 WeakPolarHBondContact O-CG 3.42Å; T784-K788 PolarHBondContact O-N 3.28Å
785K87.1Confident84Confident107 Ų10754.9 Ų54.947%0.46527%0.274SS..Hα-helixtrans-65.6-38.6178.2-170.3170178.9-177.90112.3F781 T782 R783 K788 N789F781-K785 HydrophobicContact CB-CB 4.33Å; F781-K785 HydrophobicContact CB-CD 4.04Å; F781-K785 HydrophobicContact CB-CG 4.46Å; F781-K785 HydrophobicContact CD1-CD 3.71Å; F781-K785 HydrophobicContact CE1-CD 4.37Å; F781-K785 VanDerWaalsContact CE1-NZ 3.25Å; F781-K785 HydrophobicContact CG-CD 3.93Å; T782-K785 WeakPolarHBondContact O-CB 3.45Å; T782-K785 PolarHBondContact O-N 2.93Å; T782-K785 WeakPolarHBondContact OG1-CB 3.38Å; T782-K785 PolarHBondContact OG1-N 2.93Å; R783-K785 PolarHBondContact O-N 3.3Å; K785-K788 PolarHBondContact O-N 3.45Å; K785-N789 WeakPolarHBondContact O-CB 3.45Å; K785-N789 PolarHBondContact O-N 3.29Å
786W86.6Confident84.3Confident52 Ų5253.4 Ų53.420%0.19727%0.268CS..Hα-helixtrans-72.2-33.7177.1-79115.6000114F775 G778 K779 F781 T782 R783 T784 N789 A790F775-W786 HydrophobicContact CD2-CB 3.87Å; F775-W786 HydrophobicContact CE2-CB 4.19Å; G778-W786 VanDerWaalsContact CA-CD2 3.44Å; K779-W786 WeakPolarHBondContact O-CZ2 3.44Å; K779-W786 PolarHBondContact O-NE1 3Å; K779-W786 VanDerWaalsContact O-NE1 3.12Å; F781-W786 AromaticContact CD2-CE2 3.98Å; F781-W786 AromaticContact CD2-CZ2 3.74Å; F781-W786 HydrophobicContact CD2-CZ2 3.74Å; F781-W786 AromaticContact CD2-NE1 3.96Å; F781-W786 HydrophobicContact CE2-CZ2 4.42Å; T782-W786 PolarHBondContact O-N 3.48Å; T782-W786 VanDerWaalsContact O-N 3.15Å; R783-W786 PolarHBondContact O-N 3.44Å; T784-W786 PolarHBondContact O-N 3.34Å; W786-N789 HydrophobicContact CE3-CB 4.11Å; W786-N789 HydrophobicContact CZ3-CB 4.49Å; W786-N789 VanDerWaalsContact CZ3-ND2 3.3Å; W786-N789 WeakPolarHBondContact CZ3-ND2 3.38Å; W786-N789 PolarHBondContact O-N 3.44Å; W786-A790 WeakPolarHBondContact O-CB 3.49Å; W786-A790 PolarHBondContact O-N 2.87Å
787V89.4Confident84.9Confident1 Ų151.9 Ų51.91%0.00626%0.258CS..Hα-helixtrans-63.4-46.6170.7170.40000110.2T496 F775 R783 T784 N789 A790 L791 P843 L846 T847T496-V787 HydrophobicContact CG2-CB 4.43Å; T496-V787 HydrophobicContact CG2-CG1 3.97Å; F775-V787 HydrophobicContact CD2-CG2 3.67Å; F775-V787 HydrophobicContact CE2-CG2 3.56Å; R783-V787 WeakPolarHBondContact O-CG2 3.17Å; R783-V787 PolarHBondContact O-N 2.88Å; T784-V787 PolarHBondContact O-N 3.31Å; V787-N789 VanDerWaalsContact C-N 3.35Å; V787-N789 PolarHBondContact O-N 3.1Å; V787-A790 PolarHBondContact O-N 2.85Å; V787-L791 HydrophobicContact CG1-CD1 4.16Å; V787-L791 PolarHBondContact O-N 2.96Å; V787-P843 HydrophobicContact CG1-CB 3.61Å; V787-P843 HydrophobicContact CG1-CG 4.46Å; V787-L846 HydrophobicContact CG2-CB 3.96Å; V787-T847 HydrophobicContact CG2-CG2 4.11Å
788K89.9Confident85.7Confident47 Ų4747.5 Ų47.520%0.20424%0.235CC..Hα-helixtrans-58.6-46.8174.5-67.6-177.3-176.8-176.90111.4C492 D493 T496 T784 K785 A790 L791 E792C492-K788 HydrophobicContact CB-CB 4.3Å; C492-K788 HydrophobicContact CB-CD 4.38Å; C492-K788 HydrophobicContact CB-CG 3.93Å; D493-K788 WeakPolarHBondContact OD1-CE 3.29Å; D493-K788 IonicContact OD1-NZ 2.78Å; D493-K788 PolarHBondContact OD1-NZ 3Å; T496-K788 HydrophobicContact CG2-CG 4.04Å; T496-K788 WeakPolarHBondContact OG1-CE 3.47Å; T784-K788 VanDerWaalsContact O-CG 3.3Å; T784-K788 WeakPolarHBondContact O-CG 3.42Å; T784-K788 PolarHBondContact O-N 3.28Å; K785-K788 PolarHBondContact O-N 3.45Å; K788-A790 PolarHBondContact O-N 3.41Å; K788-L791 PolarHBondContact O-N 3.44Å; K788-E792 WeakPolarHBondContact O-CB 3.44Å; K788-E792 VanDerWaalsContact O-CG 3.29Å; K788-E792 WeakPolarHBondContact O-CG 3.48Å; K788-E792 PolarHBondContact O-N 3.06Å
789N88.5Confident86.6Confident57 Ų5747.8 Ų47.831%0.30523%0.232SC..Hα-helixtrans-60.5-44.1177.3-175.267.4000112.3K785 W786 V787 L791 E792 V793K785-N789 WeakPolarHBondContact O-CB 3.45Å; K785-N789 PolarHBondContact O-N 3.29Å; W786-N789 HydrophobicContact CE3-CB 4.11Å; W786-N789 HydrophobicContact CZ3-CB 4.49Å; W786-N789 VanDerWaalsContact CZ3-ND2 3.3Å; W786-N789 WeakPolarHBondContact CZ3-ND2 3.38Å; W786-N789 PolarHBondContact O-N 3.44Å; V787-N789 VanDerWaalsContact C-N 3.35Å; V787-N789 PolarHBondContact O-N 3.1Å; N789-L791 PolarHBondContact O-N 2.99Å; N789-E792 PolarHBondContact O-N 3.19Å; N789-V793 WeakPolarHBondContact O-CB 3.39Å; N789-V793 WeakPolarHBondContact O-CG2 3.38Å; N789-V793 PolarHBondContact O-N 3.36Å
790A90.4Very high87.7Confident1 Ų141.5 Ų41.51%0.00821%0.205CC..Hα-helixtrans-62.6-42.2178.100000112.1M771 T774 F775 W786 V787 K788 V793 H794M771-A790 HydrophobicContact CG-CB 3.8Å; T774-A790 HydrophobicContact CG2-CB 4.07Å; F775-A790 HydrophobicContact CB-CB 4.36Å; W786-A790 WeakPolarHBondContact O-CB 3.49Å; W786-A790 PolarHBondContact O-N 2.87Å; V787-A790 PolarHBondContact O-N 2.85Å; K788-A790 PolarHBondContact O-N 3.41Å; A790-V793 PolarHBondContact O-N 3.17Å; A790-H794 PolarHBondContact O-N 3.36Å; A790-H794 VanDerWaalsContact O-N 3.13Å
791L91.8Very high89Confident0 Ų034.2 Ų34.20%017%0.166CC..Hα-helixtrans-64.1-46.5173.6-74.5169.5000111.4L487 I495 M771 V787 K788 N789 V793 G795 F839 P843L487-L791 WeakPolarHBondContact CD2-O 3.47Å; I495-L791 HydrophobicContact CG2-CD1 4.02Å; M771-L791 HydrophobicContact CE-CD2 4.27Å; M771-L791 HydrophobicContact SD-CD2 3.84Å; M771-L791 HydrophobicContact SD-CG 4.47Å; V787-L791 HydrophobicContact CG1-CD1 4.16Å; V787-L791 PolarHBondContact O-N 2.96Å; K788-L791 PolarHBondContact O-N 3.44Å; N789-L791 PolarHBondContact O-N 2.99Å; L791-V793 VanDerWaalsContact C-N 3.29Å; L791-V793 PolarHBondContact O-N 2.83Å; L791-G795 WeakPolarHBondContact O-CA 3.48Å; L791-G795 PolarHBondContact O-N 3.09Å; L791-F839 HydrophobicContact CD2-CD1 4.15Å; L791-F839 HydrophobicContact CD2-CE1 4.42Å; L791-P843 HydrophobicContact CD1-CB 4.38Å; L791-P843 HydrophobicContact CD1-CG 4.19Å; L791-P843 HydrophobicContact CD2-CG 4.26Å
792E88.5Confident90.1Very high52 Ų5229.9 Ų29.924%0.24315%0.146CC..Hα-helixtrans-62-35.7178.6-74.7172.2-143.900112.6K488 K788 N789K488-E792 HydrophobicContact CB-CG 4.22Å; K488-E792 HydrophobicContact CG-CG 4.2Å; K788-E792 WeakPolarHBondContact O-CB 3.44Å; K788-E792 VanDerWaalsContact O-CG 3.29Å; K788-E792 WeakPolarHBondContact O-CG 3.48Å; K788-E792 PolarHBondContact O-N 3.06Å; N789-E792 PolarHBondContact O-N 3.19Å
793V88.4Confident90.8Very high29 Ų2927.9 Ų27.918%0.17613%0.131CC..Hα-helixtrans-73.9-45.5-179.2173.10000111.8K353 N789 A790 L791K353-V793 PolarHBondContact NZ-O 3.09Å; N789-V793 WeakPolarHBondContact O-CB 3.39Å; N789-V793 WeakPolarHBondContact O-CG2 3.38Å; N789-V793 PolarHBondContact O-N 3.36Å; A790-V793 PolarHBondContact O-N 3.17Å; L791-V793 VanDerWaalsContact C-N 3.29Å; L791-V793 PolarHBondContact O-N 2.83Å
794H91.8Very high91.7Very high9 Ų924.6 Ų24.64%0.04212%0.119CC..Hα-helixtrans-113.1-24.8-170.6-60.3-66.5000114.7E346 P770 T774 A790 V796 A797 I798E346-H794 IonicContact OE1-CE1 2.69Å; E346-H794 PolarHBondContact OE1-CE1 2.84Å; E346-H794 VanDerWaalsContact OE1-CE1 3.3Å; E346-H794 IonicContact OE1-ND1 3.49Å; E346-H794 PolarHBondContact OE1-ND1 3.01Å; E346-H794 IonicContact OE2-ND1 3.52Å; P770-H794 PolarHBondContact O-NE2 2.62Å; T774-H794 PolarHBondContact OG1-NE2 2.99Å; A790-H794 PolarHBondContact O-N 3.36Å; A790-H794 VanDerWaalsContact O-N 3.13Å; H794-V796 VanDerWaalsContact C-N 3.28Å; H794-V796 PolarHBondContact O-N 2.95Å; H794-A797 PolarHBondContact O-N 3.32Å; H794-A797 VanDerWaalsContact O-N 3.15Å; H794-I798 HydrophobicContact CB-CD1 4.03Å; H794-I798 WeakPolarHBondContact O-CG1 3.41Å; H794-I798 PolarHBondContact O-N 3.38Å; H794-I798 VanDerWaalsContact O-N 3.15Å
795G92.5Very high92.2Very high1 Ų122.5 Ų22.51%0.0111%0.106CC..Hα-helixtrans-62.3-30.4-169.300000114.1L791 L799 F839L791-G795 WeakPolarHBondContact O-CA 3.48Å; L791-G795 PolarHBondContact O-N 3.09Å; G795-L799 WeakPolarHBondContact O-CB 3.38Å; G795-L799 PolarHBondContact O-N 3.46Å; G795-F839 WeakPolarHBondContact O-CZ 3.44Å
796V92Very high92.8Very high1 Ų118.4 Ų18.41%0.0069%0.089CC..Hα-helixtrans-66-45.4176.5175.70000111.6L483 V484 L487 H794 L799 Q800L483-V796 HydrophobicContact CB-CG1 4.15Å; L483-V796 HydrophobicContact CB-CG2 4.39Å; L483-V796 HydrophobicContact CD1-CG1 4.42Å; V484-V796 HydrophobicContact CB-CG2 4.43Å; V484-V796 HydrophobicContact CG2-CG1 4.44Å; V484-V796 HydrophobicContact CG2-CG2 3.73Å; L487-V796 HydrophobicContact CD2-CG2 3.96Å; H794-V796 VanDerWaalsContact C-N 3.28Å; H794-V796 PolarHBondContact O-N 2.95Å; V796-L799 PolarHBondContact O-N 3.3Å; V796-Q800 HydrophobicContact CG1-CG 4.46Å; V796-Q800 WeakPolarHBondContact O-CB 3.04Å; V796-Q800 VanDerWaalsContact O-CG 3.27Å; V796-Q800 WeakPolarHBondContact O-CG 3.33Å; V796-Q800 PolarHBondContact O-N 2.91Å
797A93.3Very high93.3Very high0 Ų017.7 Ų17.70%09%0.09CC..Hα-helixtrans-65.6-42.7179.200000111.2F345 E346 H794 L799 Q800 S801F345-A797 HydrophobicContact CB-CB 4.11Å; E346-A797 HydrophobicContact CB-CB 4.36Å; E346-A797 VanDerWaalsContact OE2-CB 3.29Å; E346-A797 WeakPolarHBondContact OE2-CB 3.48Å; H794-A797 PolarHBondContact O-N 3.32Å; H794-A797 VanDerWaalsContact O-N 3.15Å; A797-L799 PolarHBondContact O-N 3.24Å; A797-Q800 PolarHBondContact O-N 2.9Å; A797-S801 WeakPolarHBondContact O-CB 3.4Å; A797-S801 PolarHBondContact O-N 2.82Å
798I95Very high93.7Very high3 Ų317.6 Ų17.62%0.0159%0.09CC..Hα-helixtrans-59.8-46175.6-64.3171.6000110.3N767 H794 S801 Y802 F839N767-I798 HydrophobicContact CB-CG2 4.22Å; N767-I798 VanDerWaalsContact O-CD1 3.26Å; N767-I798 WeakPolarHBondContact O-CD1 3.44Å; N767-I798 WeakPolarHBondContact OD1-CG2 3.39Å; H794-I798 HydrophobicContact CB-CD1 4.03Å; H794-I798 WeakPolarHBondContact O-CG1 3.41Å; H794-I798 PolarHBondContact O-N 3.38Å; H794-I798 VanDerWaalsContact O-N 3.15Å; I798-S801 PolarHBondContact O-N 3.01Å; I798-Y802 VanDerWaalsContact O-CB 3.3Å; I798-Y802 WeakPolarHBondContact O-CB 3.23Å; I798-Y802 PolarHBondContact O-N 2.99Å; I798-F839 HydrophobicContact CB-CE2 4.22Å; I798-F839 HydrophobicContact CB-CZ 4.22Å; I798-F839 HydrophobicContact CG2-CD2 4.47Å; I798-F839 HydrophobicContact CG2-CE2 3.46Å; I798-F839 VanDerWaalsContact CG2-CE2 3.46Å; I798-F839 HydrophobicContact CG2-CZ 3.96Å
799L94.5Very high94Very high26 Ų2615.4 Ų15.414%0.1368%0.08CC..Hα-helixtrans-66.5-41.8179.8-177.260000112.2L483 G795 V796 A797 Y802 L803 F835 F839L483-L799 HydrophobicContact CD1-CD2 4.37Å; L483-L799 HydrophobicContact CD2-CD2 3.77Å; L483-L799 HydrophobicContact CG-CD2 4.48Å; G795-L799 WeakPolarHBondContact O-CB 3.38Å; G795-L799 PolarHBondContact O-N 3.46Å; V796-L799 PolarHBondContact O-N 3.3Å; A797-L799 PolarHBondContact O-N 3.24Å; L799-Y802 PolarHBondContact O-N 3.38Å; L799-L803 HydrophobicContact CD1-CD1 4.29Å; L799-L803 HydrophobicContact CD1-CG 4.25Å; L799-L803 HydrophobicContact CG-CD1 4.15Å; L799-L803 WeakPolarHBondContact O-CB 3.43Å; L799-L803 VanDerWaalsContact O-CG 3.23Å; L799-L803 WeakPolarHBondContact O-CG 3.41Å; L799-L803 PolarHBondContact O-N 3.46Å; L799-F835 HydrophobicContact CD1-CE2 3.78Å; L799-F835 HydrophobicContact CD1-CZ 4.23Å; L799-F839 HydrophobicContact CB-CZ 4.06Å
800Q94.3Very high94.4Very high0 Ų017.2 Ų17.20%09%0.089CC..Hα-helixtrans-62.4-44.7175.3-72.8170.3-3800111.8C286 F345 L483 V796 A797 L803 C804C286-Q800 HydrophobicContact CB-CB 4.25Å; C286-Q800 HydrophobicContact CB-CG 3.99Å; C286-Q800 PolarHBondContact O-NE2 3.23Å; F345-Q800 HydrophobicContact CB-CB 4.44Å; F345-Q800 HydrophobicContact CD1-CB 4.13Å; F345-Q800 HydrophobicContact CD2-CB 3.76Å; F345-Q800 HydrophobicContact CE1-CB 4.3Å; F345-Q800 HydrophobicContact CE2-CB 3.93Å; F345-Q800 HydrophobicContact CG-CB 3.87Å; F345-Q800 HydrophobicContact CZ-CB 4.21Å; L483-Q800 HydrophobicContact CD1-CG 3.63Å; V796-Q800 HydrophobicContact CG1-CG 4.46Å; V796-Q800 WeakPolarHBondContact O-CB 3.04Å; V796-Q800 VanDerWaalsContact O-CG 3.27Å; V796-Q800 WeakPolarHBondContact O-CG 3.33Å; V796-Q800 PolarHBondContact O-N 2.91Å; A797-Q800 PolarHBondContact O-N 2.9Å; Q800-L803 PolarHBondContact O-N 2.87Å; Q800-C804 PolarHBondContact O-N 3.29Å; Q800-C804 VanDerWaalsContact O-N 3.11Å; Q800-C804 PolarHBondContact O-SG 3.42Å
801S95.3Very high94.8Very high1 Ų117.7 Ų17.71%0.0079%0.092CC..Hα-helixtrans-59.6-51.5175.7-174.50000110.7Y342 A797 I798 L803 C804 Y805Y342-S801 PolarHBondContact N-OG 2.96Å; A797-S801 WeakPolarHBondContact O-CB 3.4Å; A797-S801 PolarHBondContact O-N 2.82Å; I798-S801 PolarHBondContact O-N 3.01Å; S801-L803 PolarHBondContact O-N 3.21Å; S801-C804 PolarHBondContact O-N 3.32Å; S801-Y805 VanDerWaalsContact O-CB 3.23Å; S801-Y805 WeakPolarHBondContact O-CB 3.41Å; S801-Y805 PolarHBondContact O-N 2.88Å
802Y96.4Very high95Very high30 Ų3017.9 Ų17.912%0.1189%0.093CC..Hα-helixtrans-56.3-48178.2174.5-101.3000112.6I798 L799 Y805 I806 A831 F835I798-Y802 VanDerWaalsContact O-CB 3.3Å; I798-Y802 WeakPolarHBondContact O-CB 3.23Å; I798-Y802 PolarHBondContact O-N 2.99Å; L799-Y802 PolarHBondContact O-N 3.38Å; Y802-Y805 PolarHBondContact O-N 3.47Å; Y802-I806 HydrophobicContact CD1-CG1 4.45Å; Y802-I806 HydrophobicContact CD2-CG1 4.04Å; Y802-I806 HydrophobicContact CE1-CG1 4.08Å; Y802-I806 HydrophobicContact CE2-CD1 3.88Å; Y802-I806 HydrophobicContact CE2-CG1 3.61Å; Y802-I806 HydrophobicContact CG-CG1 4.45Å; Y802-I806 WeakPolarHBondContact O-CG1 3.35Å; Y802-I806 PolarHBondContact O-N 3.01Å; Y802-A831 HydrophobicContact CD2-CB 4.31Å; Y802-A831 HydrophobicContact CE2-CB 4.11Å; Y802-A831 WeakPolarHBondContact CE2-O 3.23Å; Y802-F835 AromaticContact CD1-CD2 3.72Å; Y802-F835 HydrophobicContact CD1-CD2 3.72Å; Y802-F835 AromaticContact CD1-CE2 3.95Å; Y802-F835 HydrophobicContact CD1-CE2 3.95Å; Y802-F835 HydrophobicContact CD1-CG 4.3Å; Y802-F835 HydrophobicContact CD2-CB 3.88Å; Y802-F835 AromaticContact CD2-CD2 3.98Å; Y802-F835 HydrophobicContact CD2-CD2 3.98Å; Y802-F835 HydrophobicContact CD2-CG 4.17Å; Y802-F835 AromaticContact CE1-CD2 3.98Å; Y802-F835 HydrophobicContact CE1-CD2 3.98Å; Y802-F835 HydrophobicContact CE1-CE2 4.24Å; Y802-F835 HydrophobicContact CE1-CG 4.13Å; Y802-F835 HydrophobicContact CE2-CB 3.65Å; Y802-F835 HydrophobicContact CE2-CD2 4.22Å; Y802-F835 AromaticContact CE2-CG 3.99Å; Y802-F835 HydrophobicContact CE2-CG 3.99Å; Y802-F835 HydrophobicContact CG-CB 4.48Å; Y802-F835 AromaticContact CG-CD2 3.71Å; Y802-F835 HydrophobicContact CG-CD2 3.71Å; Y802-F835 HydrophobicContact CG-CE2 4.33Å; Y802-F835 HydrophobicContact CG-CG 4.31Å; Y802-F835 AromaticContact CZ-CG 3.96Å
803L96.2Very high95.3Very high55 Ų5517.6 Ų17.629%0.28810%0.099SC..Hα-helixtrans-62.4-46.8-179.2-73.7172.3000112.2M282 L799 Q800 S801 Y805 V807M282-L803 HydrophobicContact CE-CB 3.72Å; M282-L803 HydrophobicContact CE-CD1 3.85Å; M282-L803 HydrophobicContact CE-CG 4.25Å; L799-L803 HydrophobicContact CD1-CD1 4.29Å; L799-L803 HydrophobicContact CD1-CG 4.25Å; L799-L803 HydrophobicContact CG-CD1 4.15Å; L799-L803 WeakPolarHBondContact O-CB 3.43Å; L799-L803 VanDerWaalsContact O-CG 3.23Å; L799-L803 WeakPolarHBondContact O-CG 3.41Å; L799-L803 PolarHBondContact O-N 3.46Å; Q800-L803 PolarHBondContact O-N 2.87Å; S801-L803 PolarHBondContact O-N 3.21Å; L803-Y805 VanDerWaalsContact C-N 3.31Å; L803-Y805 PolarHBondContact O-N 3.03Å; L803-V807 WeakPolarHBondContact O-CB 3.22Å; L803-V807 VanDerWaalsContact O-CG2 3.25Å; L803-V807 WeakPolarHBondContact O-CG2 3.15Å; L803-V807 PolarHBondContact O-N 3.43Å; L803-V807 VanDerWaalsContact O-N 3.13Å
804C97.4Very high95.7Very high0 Ų019.1 Ų19.10%012%0.115CC..Hα-helixtrans-64-39.4177-650000111.3L341 F345 Q800 S801 G808L341-C804 HydrophobicContact CD1-CB 3.49Å; L341-C804 VanDerWaalsContact CD1-CB 3.49Å; F345-C804 HydrophobicContact CE2-CB 4.4Å; Q800-C804 PolarHBondContact O-N 3.29Å; Q800-C804 VanDerWaalsContact O-N 3.11Å; Q800-C804 PolarHBondContact O-SG 3.42Å; S801-C804 PolarHBondContact O-N 3.32Å; C804-G808 PolarHBondContact O-N 2.71Å
805Y97.6Very high95.9Very high0 Ų018.9 Ų18.90%011%0.114CC..Hα-helixtrans-63.2-50.7179.3-166.4-100.9000112.3F334 L337 Y759 S801 Y802 L803 V807 G808 L809 A831F334-Y805 VanDerWaalsContact O-CE2 3.28Å; F334-Y805 WeakPolarHBondContact O-CE2 3.5Å; L337-Y805 HydrophobicContact CB-CD2 4.33Å; L337-Y805 HydrophobicContact CB-CE2 4.37Å; L337-Y805 HydrophobicContact CD2-CD2 3.77Å; L337-Y805 HydrophobicContact CD2-CE2 4.32Å; L337-Y805 HydrophobicContact CG-CD2 4.19Å; Y759-Y805 VanDerWaalsContact CE1-OH 3.23Å; Y759-Y805 WeakPolarHBondContact CE1-OH 3.33Å; Y759-Y805 WeakPolarHBondContact OH-CE2 3.27Å; Y759-Y805 PolarHBondContact OH-OH 3.48Å; S801-Y805 VanDerWaalsContact O-CB 3.23Å; S801-Y805 WeakPolarHBondContact O-CB 3.41Å; S801-Y805 PolarHBondContact O-N 2.88Å; Y802-Y805 PolarHBondContact O-N 3.47Å; L803-Y805 VanDerWaalsContact C-N 3.31Å; L803-Y805 PolarHBondContact O-N 3.03Å; Y805-V807 PolarHBondContact O-N 3.45Å; Y805-G808 PolarHBondContact O-N 2.9Å; Y805-G808 VanDerWaalsContact O-N 3.15Å; Y805-L809 HydrophobicContact CD1-CD1 3.83Å; Y805-L809 HydrophobicContact CD1-CG 4.34Å; Y805-L809 HydrophobicContact CE1-CD1 3.5Å; Y805-L809 HydrophobicContact CE1-CG 4.12Å; Y805-L809 WeakPolarHBondContact O-CG 3.45Å; Y805-L809 PolarHBondContact O-N 3.42Å; Y805-L809 VanDerWaalsContact O-N 3.08Å; Y805-A831 HydrophobicContact CD1-CB 3.83Å; Y805-A831 HydrophobicContact CE1-CB 4.01Å
806I97.8Very high96Very high22 Ų2221.3 Ų21.311%0.11313%0.13CC..Hα-helixtrans-61.5-44.4179.1-68.4-64.3000111.3Y802 G808 L809 I810 F828 A831Y802-I806 HydrophobicContact CD1-CG1 4.45Å; Y802-I806 HydrophobicContact CD2-CG1 4.04Å; Y802-I806 HydrophobicContact CE1-CG1 4.08Å; Y802-I806 HydrophobicContact CE2-CD1 3.88Å; Y802-I806 HydrophobicContact CE2-CG1 3.61Å; Y802-I806 HydrophobicContact CG-CG1 4.45Å; Y802-I806 WeakPolarHBondContact O-CG1 3.35Å; Y802-I806 PolarHBondContact O-N 3.01Å; I806-G808 PolarHBondContact O-N 3.44Å; I806-L809 PolarHBondContact O-N 3.38Å; I806-I810 HydrophobicContact CG2-CD1 4.39Å; I806-I810 WeakPolarHBondContact O-CG1 3.48Å; I806-I810 PolarHBondContact O-N 2.84Å; I806-F828 HydrophobicContact CD1-CD2 3.75Å; I806-F828 HydrophobicContact CD1-CE2 3.93Å; I806-F828 HydrophobicContact CG2-CE2 4.35Å; I806-A831 HydrophobicContact CD1-CB 3.77Å
807V98Very high96.1Very high36 Ų3621.3 Ų21.322%0.21813%0.13CC..Hα-helixtrans-60.2-36.5177.5167.20000111.3L278 M282 L803 Y805 P811L278-V807 HydrophobicContact CB-CG1 3.49Å; L278-V807 VanDerWaalsContact CB-CG1 3.49Å; L278-V807 HydrophobicContact CG-CG1 4.46Å; M282-V807 HydrophobicContact CB-CG1 4.26Å; M282-V807 HydrophobicContact CG-CG2 4.28Å; L803-V807 WeakPolarHBondContact O-CB 3.22Å; L803-V807 VanDerWaalsContact O-CG2 3.25Å; L803-V807 WeakPolarHBondContact O-CG2 3.15Å; L803-V807 PolarHBondContact O-N 3.43Å; L803-V807 VanDerWaalsContact O-N 3.13Å; Y805-V807 PolarHBondContact O-N 3.45Å; V807-P811 WeakPolarHBondContact O-CD 3.16Å
808G97Very high96.1Very high0 Ų023.5 Ų23.50%014%0.142CC..Hα-helixtrans-67.8-32.1173.100000114.4S275 F334 C804 Y805 I806S275-G808 WeakPolarHBondContact CB-O 3.34Å; S275-G808 WeakPolarHBondContact OG-CA 3.31Å; S275-G808 PolarHBondContact OG-O 3.21Å; F334-G808 WeakPolarHBondContact CE1-O 3.41Å; C804-G808 PolarHBondContact O-N 2.71Å; Y805-G808 PolarHBondContact O-N 2.9Å; Y805-G808 VanDerWaalsContact O-N 3.15Å; I806-G808 PolarHBondContact O-N 3.44Å
809L98.1Very high96Very high0 Ų023.3 Ų23.30%014%0.141CC..Hα-helixtrans-76.8-31.4-179.9-70178.6000113.5F334 Y805 I806 L812 F824 L827 F828F334-L809 HydrophobicContact CB-CD2 4.5Å; F334-L809 HydrophobicContact CD1-CD2 3.58Å; F334-L809 HydrophobicContact CE1-CD2 4.03Å; F334-L809 HydrophobicContact CG-CD2 4.06Å; Y805-L809 HydrophobicContact CD1-CD1 3.83Å; Y805-L809 HydrophobicContact CD1-CG 4.34Å; Y805-L809 HydrophobicContact CE1-CD1 3.5Å; Y805-L809 HydrophobicContact CE1-CG 4.12Å; Y805-L809 WeakPolarHBondContact O-CG 3.45Å; Y805-L809 PolarHBondContact O-N 3.42Å; Y805-L809 VanDerWaalsContact O-N 3.08Å; I806-L809 PolarHBondContact O-N 3.38Å; L809-L812 WeakPolarHBondContact O-CB 3.37Å; L809-L812 PolarHBondContact O-N 3.41Å; L809-F824 HydrophobicContact CB-CD2 4.16Å; L809-F824 HydrophobicContact CB-CE2 4.38Å; L809-F824 WeakPolarHBondContact O-CD2 3.49Å; L809-L827 HydrophobicContact CD1-CB 3.86Å; L809-L827 HydrophobicContact CD2-CB 3.86Å; L809-L827 HydrophobicContact CD2-CD1 3.89Å; L809-F828 HydrophobicContact CD1-CB 4.37Å
810I96.8Very high96Very high95 Ų9522.2 Ų22.249%0.48714%0.135SC..G310 helixtrans-51.8-46.7-172.3-72.9166.3000113.5I806 L812 A813I806-I810 HydrophobicContact CG2-CD1 4.39Å; I806-I810 WeakPolarHBondContact O-CG1 3.48Å; I806-I810 PolarHBondContact O-N 2.84Å; I810-L812 PolarHBondContact O-N 3.26Å; I810-A813 WeakPolarHBondContact O-CB 3.49Å; I810-A813 PolarHBondContact O-N 3.39Å; I810-A813 VanDerWaalsContact O-N 3.12Å
811P97.6Very high96Very high11 Ų1123.6 Ų23.67%0.07114%0.144CC..G310 helixtrans-61.1-26.1179.7-27.838.4000114.7Y271 T274 L278 V807 A813 A814Y271-P811 WeakPolarHBondContact CD1-O 3.35Å; Y271-P811 WeakPolarHBondContact O-CB 3.35Å; T274-P811 HydrophobicContact CG2-CB 4.5Å; T274-P811 HydrophobicContact CG2-CG 4.1Å; L278-P811 HydrophobicContact CD1-CG 3.75Å; V807-P811 WeakPolarHBondContact O-CD 3.16Å; P811-A813 VanDerWaalsContact C-N 3.25Å; P811-A813 PolarHBondContact O-N 3.28Å; P811-A814 PolarHBondContact O-N 2.81Å
812L96Very high96Very high4 Ų424.1 Ų24.12%0.02115%0.148CC..G310 helixtrans-65.1-29.8177.3-97.258.8000112.4L272 F334 L809 I810 A814 V815 L823 F824L272-L812 HydrophobicContact CD2-CD1 3.83Å; F334-L812 HydrophobicContact CD2-CD2 4.13Å; F334-L812 HydrophobicContact CE1-CD1 4.3Å; F334-L812 HydrophobicContact CE1-CD2 4.45Å; F334-L812 HydrophobicContact CE2-CD1 3.85Å; F334-L812 HydrophobicContact CE2-CD2 3.51Å; F334-L812 HydrophobicContact CE2-CG 4.31Å; F334-L812 HydrophobicContact CZ-CD1 3.38Å; F334-L812 HydrophobicContact CZ-CD2 3.71Å; F334-L812 HydrophobicContact CZ-CG 4.19Å; L809-L812 WeakPolarHBondContact O-CB 3.37Å; L809-L812 PolarHBondContact O-N 3.41Å; I810-L812 PolarHBondContact O-N 3.26Å; L812-A814 PolarHBondContact O-N 2.7Å; L812-V815 PolarHBondContact O-N 3.15Å; L812-L823 HydrophobicContact CD2-CB 4.41Å; L812-F824 HydrophobicContact CB-CB 4.05Å
813A95Very high96Very high46 Ų4623 Ų2338%0.3814%0.144SC..G310 helixtrans-63.3-22.7178.400000113I810 P811 F824I810-A813 WeakPolarHBondContact O-CB 3.49Å; I810-A813 PolarHBondContact O-N 3.39Å; I810-A813 VanDerWaalsContact O-N 3.12Å; P811-A813 VanDerWaalsContact C-N 3.25Å; P811-A813 PolarHBondContact O-N 3.28Å; A813-F824 HydrophobicContact CB-CD1 3.64Å; A813-F824 HydrophobicContact CB-CD2 3.92Å; A813-F824 HydrophobicContact CB-CE1 3.59Å; A813-F824 HydrophobicContact CB-CE2 3.87Å; A813-F824 HydrophobicContact CB-CG 3.81Å; A813-F824 HydrophobicContact CB-CZ 3.71Å
814A96Very high96Very high62 Ų6221.7 Ų21.751%0.51214%0.136SC..G310 helixtrans-96.4-3.7-17900000113.4Y271 P811 L812Y271-A814 HydrophobicContact CD1-CB 4.07Å; Y271-A814 HydrophobicContact CE1-CB 3.63Å; Y271-A814 WeakPolarHBondContact CE1-O 3.45Å; Y271-A814 PolarHBondContact OH-O 3.49Å; P811-A814 PolarHBondContact O-N 2.81Å; L812-A814 PolarHBondContact O-N 2.7Å
815V96Very high96Very high3 Ų325 Ų252%0.01815%0.148CC..SBendtrans-73.3127.6177.5-179.90000108.8V267 Y271 L812 S817 T820V267-V815 HydrophobicContact CG1-CG1 4.25Å; Y271-V815 HydrophobicContact CD1-CG2 4.02Å; Y271-V815 HydrophobicContact CD2-CB 4.41Å; Y271-V815 HydrophobicContact CD2-CG2 3.61Å; Y271-V815 HydrophobicContact CE2-CG2 4.27Å; Y271-V815 HydrophobicContact CG-CG2 3.45Å; Y271-V815 VanDerWaalsContact CG-CG2 3.45Å; L812-V815 PolarHBondContact O-N 3.15Å; V815-S817 PolarHBondContact O-N 2.71Å; V815-T820 HydrophobicContact CB-CG2 4.28Å; V815-T820 VanDerWaalsContact CB-OG1 3.29Å; V815-T820 WeakPolarHBondContact CB-OG1 3.46Å; V815-T820 HydrophobicContact CG1-CG2 3.91Å; V815-T820 VanDerWaalsContact CG1-OG1 3.27Å; V815-T820 WeakPolarHBondContact CG1-OG1 3.4Å
816P95.4Very high96Very high53 Ų5325 Ų2534%0.34415%0.148SC..SBendtrans-7865.2178.230.8-32.5000111.2V267 A533 T534V267-P816 HydrophobicContact CG1-CG 3.6Å; A533-P816 WeakPolarHBondContact CA-O 3.36Å; T534-P816 PolarHBondContact N-O 3.37Å; T534-P816 WeakPolarHBondContact OG1-CB 3.42Å; T534-P816 PolarHBondContact OG1-O 3.35Å
817S94.4Very high96Very high0 Ų024 Ų240%014%0.143CC..BIsolated β-bridgetrans-145.1136.7172.3171.20000111.6T264 V532 V815 L819 T820 C821T264-S817 WeakPolarHBondContact CG2-OG 3.38Å; T264-S817 PolarHBondContact OG1-OG 3.05Å; V532-S817 PolarHBondContact O-OG 3.37Å; V815-S817 PolarHBondContact O-N 2.71Å; S817-L819 VanDerWaalsContact C-N 3.29Å; S817-L819 PolarHBondContact O-N 3.08Å; S817-L819 PolarHBondContact OG-N 3.24Å; S817-T820 WeakPolarHBondContact CB-OG1 3.41Å; S817-T820 PolarHBondContact O-N 2.86Å; S817-T820 PolarHBondContact O-OG1 2.86Å; S817-C821 WeakPolarHBondContact O-CB 3.17Å; S817-C821 PolarHBondContact O-N 2.84Å; S817-C821 PolarHBondContact O-SG 3.45Å
818N92.5Very high96Very high46 Ų4624.7 Ų24.725%0.24614%0.143CC..Hα-helixtrans-64.2-38.3177.3-72.2-24.5000110.9S529 N530 V532 T534 T820 C821 T822S529-N818 PolarHBondContact O-ND2 3.2Å; N530-N818 CarbonylContact O-C 3.44Å; N530-N818 WeakPolarHBondContact O-CB 3.45Å; V532-N818 PolarHBondContact O-N 2.69Å; V532-N818 VanDerWaalsContact O-N 3.1Å; T534-N818 WeakPolarHBondContact CG2-OD1 3.49Å; N818-T820 PolarHBondContact O-N 3.49Å; N818-C821 WeakPolarHBondContact O-CB 3.43Å; N818-C821 PolarHBondContact O-N 2.87Å; N818-T822 PolarHBondContact O-N 3.12Å; N818-T822 PolarHBondContact O-OG1 3.2Å
819L93.2Very high96.1Very high0 Ų025.3 Ų25.30%015%0.147CC..Hα-helixtrans-58.4-48.3176.3-177.2155.3000111.7F261 T264 L330 N530 I531 I752 S817 C821 T822 L823F261-L819 HydrophobicContact CE2-CD1 3.84Å; T264-L819 HydrophobicContact CG2-CB 4.16Å; T264-L819 HydrophobicContact CG2-CD1 4.48Å; T264-L819 HydrophobicContact CG2-CD2 4.16Å; L330-L819 HydrophobicContact CD1-CD2 3.99Å; N530-L819 PolarHBondContact O-N 3.32Å; N530-L819 VanDerWaalsContact O-N 3.09Å; I531-L819 WeakPolarHBondContact O-CB 3.47Å; I531-L819 WeakPolarHBondContact O-CD1 3.48Å; I752-L819 HydrophobicContact CD1-CD1 4.02Å; I752-L819 HydrophobicContact CD1-CG 4.13Å; I752-L819 HydrophobicContact CG1-CD1 4.41Å; I752-L819 HydrophobicContact CG1-CG 4.15Å; S817-L819 VanDerWaalsContact C-N 3.29Å; S817-L819 PolarHBondContact O-N 3.08Å; S817-L819 PolarHBondContact OG-N 3.24Å; L819-C821 VanDerWaalsContact C-N 3.35Å; L819-T822 PolarHBondContact O-N 3.03Å; L819-L823 HydrophobicContact CD2-CD1 3.6Å; L819-L823 HydrophobicContact CD2-CG 4.2Å; L819-L823 WeakPolarHBondContact O-CG 3.37Å; L819-L823 PolarHBondContact O-N 2.85Å
820T95.2Very high96.1Very high2 Ų225.3 Ų25.31%0.01215%0.147CC..Hα-helixtrans-71.6-31.618052.40000112.3T264 L330 V815 S817 N818 L823 F824T264-T820 HydrophobicContact CG2-CG2 4.19Å; L330-T820 HydrophobicContact CD1-CG2 4.22Å; V815-T820 HydrophobicContact CB-CG2 4.28Å; V815-T820 VanDerWaalsContact CB-OG1 3.29Å; V815-T820 WeakPolarHBondContact CB-OG1 3.46Å; V815-T820 HydrophobicContact CG1-CG2 3.91Å; V815-T820 VanDerWaalsContact CG1-OG1 3.27Å; V815-T820 WeakPolarHBondContact CG1-OG1 3.4Å; S817-T820 WeakPolarHBondContact CB-OG1 3.41Å; S817-T820 PolarHBondContact O-N 2.86Å; S817-T820 PolarHBondContact O-OG1 2.86Å; N818-T820 PolarHBondContact O-N 3.49Å; T820-L823 PolarHBondContact O-N 3.04Å; T820-F824 WeakPolarHBondContact O-CB 3.25Å; T820-F824 PolarHBondContact O-N 3.24Å
821C94.9Very high96.2Very high29 Ų2920.8 Ų20.820%0.19612%0.124CC..Hα-helixtrans-62.3-45.2170.9-74.50000111.5S817 N818 L819 F824 R825S817-C821 WeakPolarHBondContact O-CB 3.17Å; S817-C821 PolarHBondContact O-N 2.84Å; S817-C821 PolarHBondContact O-SG 3.45Å; N818-C821 WeakPolarHBondContact O-CB 3.43Å; N818-C821 PolarHBondContact O-N 2.87Å; L819-C821 VanDerWaalsContact C-N 3.35Å; C821-F824 PolarHBondContact O-N 2.7Å; C821-R825 WeakPolarHBondContact O-CB 3.38Å; C821-R825 VanDerWaalsContact O-CG 3.31Å; C821-R825 WeakPolarHBondContact O-CG 3.46Å; C821-R825 PolarHBondContact O-N 3.14Å
822T94.3Very high96.2Very high13 Ų1324 Ų248%0.0814%0.137CC..Hα-helixtrans-61.7-49.5174.8-63.50000110.8V747 I752 N818 L819 F824 R825 C826V747-T822 HydrophobicContact CG1-CG2 3.82Å; I752-T822 HydrophobicContact CB-CG2 4.12Å; I752-T822 HydrophobicContact CG2-CG2 4Å; N818-T822 PolarHBondContact O-N 3.12Å; N818-T822 PolarHBondContact O-OG1 3.2Å; L819-T822 PolarHBondContact O-N 3.03Å; T822-F824 PolarHBondContact O-N 3.38Å; T822-R825 PolarHBondContact O-N 2.84Å; T822-C826 WeakPolarHBondContact O-CB 3.4Å; T822-C826 PolarHBondContact O-N 3.18Å; T822-C826 PolarHBondContact O-SG 3.45Å; T822-C826 VanDerWaalsContact O-SG 3.34Å
823L95.7Very high96.3Very high5 Ų524.1 Ų24.13%0.02614%0.137CC..Hα-helixtrans-54-49.9175-77176.6000111.8L330 I752 L812 L819 T820 L827L330-L823 HydrophobicContact CB-CD1 4Å; I752-L823 HydrophobicContact CG2-CD2 3.45Å; I752-L823 VanDerWaalsContact CG2-CD2 3.45Å; I752-L823 HydrophobicContact CG2-CG 3.63Å; L812-L823 HydrophobicContact CD2-CB 4.41Å; L819-L823 HydrophobicContact CD2-CD1 3.6Å; L819-L823 HydrophobicContact CD2-CG 4.2Å; L819-L823 WeakPolarHBondContact O-CG 3.37Å; L819-L823 PolarHBondContact O-N 2.85Å; T820-L823 PolarHBondContact O-N 3.04Å; L823-L827 VanDerWaalsContact O-CB 3.27Å; L823-L827 WeakPolarHBondContact O-CB 3.24Å; L823-L827 WeakPolarHBondContact O-CG 3.49Å; L823-L827 PolarHBondContact O-N 2.83Å
824F97.5Very high96.4Very high29 Ų2922 Ų2213%0.12712%0.12CC..Hα-helixtrans-58.2-53.8178.9167.2-105.4000111.5W745 L809 L812 A813 T820 C821 T822 C826 F828W745-F824 HydrophobicContact CH2-CE1 4.05Å; W745-F824 HydrophobicContact CZ2-CE1 4.38Å; L809-F824 HydrophobicContact CB-CD2 4.16Å; L809-F824 HydrophobicContact CB-CE2 4.38Å; L809-F824 WeakPolarHBondContact O-CD2 3.49Å; L812-F824 HydrophobicContact CB-CB 4.05Å; A813-F824 HydrophobicContact CB-CD1 3.64Å; A813-F824 HydrophobicContact CB-CD2 3.92Å; A813-F824 HydrophobicContact CB-CE1 3.59Å; A813-F824 HydrophobicContact CB-CE2 3.87Å; A813-F824 HydrophobicContact CB-CG 3.81Å; A813-F824 HydrophobicContact CB-CZ 3.71Å; T820-F824 WeakPolarHBondContact O-CB 3.25Å; T820-F824 PolarHBondContact O-N 3.24Å; C821-F824 PolarHBondContact O-N 2.7Å; T822-F824 PolarHBondContact O-N 3.38Å; F824-C826 PolarHBondContact O-N 3.14Å; F824-F828 HydrophobicContact CE2-CB 4.23Å; F824-F828 HydrophobicContact CE2-CD2 4.21Å; F824-F828 HydrophobicContact CE2-CG 4.42Å; F824-F828 HydrophobicContact CZ-CB 4.4Å; F824-F828 HydrophobicContact CZ-CD2 4.3Å; F824-F828 HydrophobicContact CZ-CG 4.33Å; F824-F828 WeakPolarHBondContact O-CB 3.37Å; F824-F828 PolarHBondContact O-N 3.1Å
825R97.6Very high96.5Very high69 Ų6921.2 Ų21.226%0.2611%0.105SC..Hα-helixtrans-61.5-47.3-175.9-71177.3-170.7168.411111.4W745 K746 V747 C821 T822 L829W745-R825 HydrophobicContact CD2-CB 4.27Å; W745-R825 HydrophobicContact CD2-CG 3.84Å; W745-R825 HydrophobicContact CE3-CB 3.87Å; W745-R825 HydrophobicContact CE3-CG 3.88Å; W745-R825 HydrophobicContact CG-CG 4.44Å; W745-R825 HydrophobicContact CH2-CG 4.2Å; W745-R825 HydrophobicContact CZ2-CG 4.16Å; W745-R825 HydrophobicContact CZ3-CB 4.08Å; W745-R825 HydrophobicContact CZ3-CG 4.05Å; W745-R825 PolarHBondContact O-NH1 2.69Å; K746-R825 PolarHBondContact O-NH1 3.42Å; V747-R825 HydrophobicContact CG2-CB 3.84Å; V747-R825 HydrophobicContact CG2-CG 4.28Å; C821-R825 WeakPolarHBondContact O-CB 3.38Å; C821-R825 VanDerWaalsContact O-CG 3.31Å; C821-R825 WeakPolarHBondContact O-CG 3.46Å; C821-R825 PolarHBondContact O-N 3.14Å; T822-R825 PolarHBondContact O-N 2.84Å; R825-L829 WeakPolarHBondContact O-CB 3.03Å; R825-L829 VanDerWaalsContact O-CG 3.23Å; R825-L829 WeakPolarHBondContact O-CG 3.29Å; R825-L829 PolarHBondContact O-N 3.18Å
826C97.5Very high96.5Very high0 Ų024 Ų240%012%0.117CC..Hα-helixtrans-64-51.4179.6-66.50000111.8M742 C756 T822 F824 F828 L829 I830M742-C826 HydrophobicContact SD-CB 4.43Å; M742-C826 VanDerWaalsContact SD-SG 3.62Å; C756-C826 HydrophobicContact CB-CB 3.46Å; C756-C826 VanDerWaalsContact CB-CB 3.46Å; T822-C826 WeakPolarHBondContact O-CB 3.4Å; T822-C826 PolarHBondContact O-N 3.18Å; T822-C826 PolarHBondContact O-SG 3.45Å; T822-C826 VanDerWaalsContact O-SG 3.34Å; F824-C826 PolarHBondContact O-N 3.14Å; C826-F828 VanDerWaalsContact C-N 3.33Å; C826-F828 PolarHBondContact O-N 3.05Å; C826-L829 PolarHBondContact O-N 3.14Å; C826-I830 WeakPolarHBondContact O-CD1 3.49Å; C826-I830 VanDerWaalsContact O-CG1 3.26Å; C826-I830 WeakPolarHBondContact O-CG1 3.49Å; C826-I830 PolarHBondContact O-N 3.41Å
827L98Very high96.5Very high2 Ų221.7 Ų21.71%0.0110%0.101CC..Hα-helixtrans-67.1-34.8-177.9-63.9177.3000112.4F334 C756 Y759 L809 L823 I830 A831F334-L827 HydrophobicContact CB-CD1 3.74Å; F334-L827 HydrophobicContact CG-CD1 4.22Å; C756-L827 HydrophobicContact CB-CD2 4.17Å; Y759-L827 HydrophobicContact CD1-CD2 3.49Å; Y759-L827 VanDerWaalsContact CD1-CD2 3.49Å; Y759-L827 HydrophobicContact CE1-CD2 3.74Å; L809-L827 HydrophobicContact CD1-CB 3.86Å; L809-L827 HydrophobicContact CD2-CB 3.86Å; L809-L827 HydrophobicContact CD2-CD1 3.89Å; L823-L827 VanDerWaalsContact O-CB 3.27Å; L823-L827 WeakPolarHBondContact O-CB 3.24Å; L823-L827 WeakPolarHBondContact O-CG 3.49Å; L823-L827 PolarHBondContact O-N 2.83Å; L827-I830 HydrophobicContact CD2-CD1 4.46Å; L827-A831 WeakPolarHBondContact O-CB 3.46Å; L827-A831 PolarHBondContact O-N 3.11Å
828F98.4Very high96.6Very high49 Ų4921.8 Ų21.822%0.21510%0.102CC..Hα-helixtrans-65.9-46.6173.9-179.5-89.5000111.2W745 I806 L809 F824 C826 I830 A831 F832W745-F828 HydrophobicContact CH2-CD1 4.01Å; W745-F828 HydrophobicContact CH2-CE1 4.44Å; W745-F828 AromaticContact CZ3-CD1 3.92Å; W745-F828 HydrophobicContact CZ3-CD1 3.92Å; I806-F828 HydrophobicContact CD1-CD2 3.75Å; I806-F828 HydrophobicContact CD1-CE2 3.93Å; I806-F828 HydrophobicContact CG2-CE2 4.35Å; L809-F828 HydrophobicContact CD1-CB 4.37Å; F824-F828 HydrophobicContact CE2-CB 4.23Å; F824-F828 HydrophobicContact CE2-CD2 4.21Å; F824-F828 HydrophobicContact CE2-CG 4.42Å; F824-F828 HydrophobicContact CZ-CB 4.4Å; F824-F828 HydrophobicContact CZ-CD2 4.3Å; F824-F828 HydrophobicContact CZ-CG 4.33Å; F824-F828 WeakPolarHBondContact O-CB 3.37Å; F824-F828 PolarHBondContact O-N 3.1Å; C826-F828 VanDerWaalsContact C-N 3.33Å; C826-F828 PolarHBondContact O-N 3.05Å; F828-I830 PolarHBondContact O-N 3.34Å; F828-A831 PolarHBondContact O-N 3.35Å; F828-F832 HydrophobicContact CE1-CB 4.37Å; F828-F832 HydrophobicContact CE1-CD2 4.42Å; F828-F832 HydrophobicContact CE1-CG 4.5Å; F828-F832 HydrophobicContact CZ-CD2 4.4Å; F828-F832 WeakPolarHBondContact O-CB 3.25Å; F828-F832 PolarHBondContact O-N 3.41Å
829L98.5Very high96.7Very high14 Ų1419.9 Ų19.97%0.0739%0.091CC..Hα-helixtrans-60.5-45176.5-76.5175000111.5V738 F741 M742 W745 R825 C826 A831 F832 V833V738-L829 HydrophobicContact CG1-CB 4.39Å; F741-L829 HydrophobicContact CB-CD1 3.89Å; F741-L829 HydrophobicContact CB-CD2 3.8Å; F741-L829 HydrophobicContact CB-CG 4.47Å; M742-L829 HydrophobicContact CB-CD1 4.41Å; M742-L829 HydrophobicContact CG-CD1 3.8Å; W745-L829 HydrophobicContact CE3-CD1 3.9Å; W745-L829 HydrophobicContact CE3-CD2 4.03Å; W745-L829 HydrophobicContact CE3-CG 3.83Å; W745-L829 HydrophobicContact CZ3-CD1 4.48Å; W745-L829 HydrophobicContact CZ3-CD2 4.12Å; W745-L829 HydrophobicContact CZ3-CG 3.92Å; R825-L829 WeakPolarHBondContact O-CB 3.03Å; R825-L829 VanDerWaalsContact O-CG 3.23Å; R825-L829 WeakPolarHBondContact O-CG 3.29Å; R825-L829 PolarHBondContact O-N 3.18Å; C826-L829 PolarHBondContact O-N 3.14Å; L829-A831 PolarHBondContact O-N 3.36Å; L829-F832 PolarHBondContact O-N 2.74Å; L829-V833 VanDerWaalsContact O-CB 3.28Å; L829-V833 WeakPolarHBondContact O-CB 3.23Å; L829-V833 VanDerWaalsContact O-CG2 3.23Å; L829-V833 WeakPolarHBondContact O-CG2 3.36Å; L829-V833 PolarHBondContact O-N 3.27Å
830I98.3Very high96.8Very high0 Ų020.5 Ų20.50%010%0.096CC..Hα-helixtrans-56.2-51.6175.7-72.2163.3000110.4V738 C756 Y759 Y763 C826 L827 F828 F832 T834V738-I830 HydrophobicContact CG1-CG1 3.79Å; V738-I830 HydrophobicContact CG2-CG1 4Å; C756-I830 HydrophobicContact CB-CD1 4.07Å; C756-I830 WeakPolarHBondContact O-CD1 3.34Å; Y759-I830 HydrophobicContact CD1-CD1 4.44Å; Y763-I830 HydrophobicContact CD1-CG2 3.77Å; Y763-I830 HydrophobicContact CG-CG2 4.15Å; C826-I830 WeakPolarHBondContact O-CD1 3.49Å; C826-I830 VanDerWaalsContact O-CG1 3.26Å; C826-I830 WeakPolarHBondContact O-CG1 3.49Å; C826-I830 PolarHBondContact O-N 3.41Å; L827-I830 HydrophobicContact CD2-CD1 4.46Å; F828-I830 PolarHBondContact O-N 3.34Å; I830-F832 PolarHBondContact O-N 2.65Å; I830-T834 WeakPolarHBondContact O-CB 3.3Å; I830-T834 PolarHBondContact O-N 3.08Å; I830-T834 PolarHBondContact O-OG1 2.83Å
831A98Very high96.7Very high0 Ų020.7 Ų20.70%010%0.097CC..Hα-helixtrans-61.1-46.6-179.600000111.7Y763 Y802 Y805 I806 L827 F828 L829 F835Y763-A831 HydrophobicContact CE1-CB 4.31Å; Y802-A831 HydrophobicContact CD2-CB 4.31Å; Y802-A831 HydrophobicContact CE2-CB 4.11Å; Y802-A831 WeakPolarHBondContact CE2-O 3.23Å; Y805-A831 HydrophobicContact CD1-CB 3.83Å; Y805-A831 HydrophobicContact CE1-CB 4.01Å; I806-A831 HydrophobicContact CD1-CB 3.77Å; L827-A831 WeakPolarHBondContact O-CB 3.46Å; L827-A831 PolarHBondContact O-N 3.11Å; F828-A831 PolarHBondContact O-N 3.35Å; L829-A831 PolarHBondContact O-N 3.36Å; A831-F835 VanDerWaalsContact O-CB 3.28Å; A831-F835 WeakPolarHBondContact O-CB 3.22Å; A831-F835 PolarHBondContact O-N 3.12Å
832F97.7Very high96.6Very high79 Ų7919.5 Ų19.535%0.3469%0.089SC..Hα-helixtrans-65.5-50.7-177.9-175.5-96.6000112.2F828 L829 I830 F835 F836F828-F832 HydrophobicContact CE1-CB 4.37Å; F828-F832 HydrophobicContact CE1-CD2 4.42Å; F828-F832 HydrophobicContact CE1-CG 4.5Å; F828-F832 HydrophobicContact CZ-CD2 4.4Å; F828-F832 WeakPolarHBondContact O-CB 3.25Å; F828-F832 PolarHBondContact O-N 3.41Å; L829-F832 PolarHBondContact O-N 2.74Å; I830-F832 PolarHBondContact O-N 2.65Å; F832-F835 WeakPolarHBondContact O-CB 3.36Å; F832-F835 PolarHBondContact O-N 2.98Å; F832-F836 HydrophobicContact CD1-CD2 4.04Å; F832-F836 HydrophobicContact CD1-CE2 4.08Å; F832-F836 HydrophobicContact CD2-CE2 4.03Å; F832-F836 AromaticContact CE1-CD2 3.83Å; F832-F836 HydrophobicContact CE1-CD2 3.83Å; F832-F836 AromaticContact CE1-CE2 3.55Å; F832-F836 HydrophobicContact CE1-CE2 3.55Å; F832-F836 HydrophobicContact CE2-CD2 4.38Å; F832-F836 AromaticContact CE2-CE2 3.52Å; F832-F836 HydrophobicContact CE2-CE2 3.52Å; F832-F836 HydrophobicContact CE2-CZ 4.38Å; F832-F836 HydrophobicContact CG-CD2 4.41Å; F832-F836 HydrophobicContact CG-CE2 4.3Å; F832-F836 HydrophobicContact CZ-CD2 4.03Å; F832-F836 AromaticContact CZ-CE2 3.27Å; F832-F836 HydrophobicContact CZ-CE2 3.27Å; F832-F836 HydrophobicContact CZ-CZ 4.09Å; F832-F836 WeakPolarHBondContact O-CD2 3.44Å; F832-F836 PolarHBondContact O-N 3.05Å; F832-F836 VanDerWaalsContact O-N 3.15Å
833V98.3Very high96.5Very high6 Ų619 Ų194%0.0369%0.085CC..Hα-helixtrans-64.7-43.4-179.7175.80000110.5Y511 V734 V738 L829 F835 F836 H837Y511-V833 HydrophobicContact CE2-CG1 3.75Å; Y511-V833 HydrophobicContact CE2-CG2 4.28Å; Y511-V833 VanDerWaalsContact OH-CG1 3.22Å; Y511-V833 WeakPolarHBondContact OH-CG1 3.16Å; V734-V833 HydrophobicContact CB-CG1 4.27Å; V734-V833 HydrophobicContact CG1-CB 4.46Å; V734-V833 HydrophobicContact CG1-CG1 3.96Å; V734-V833 HydrophobicContact CG2-CG1 4.16Å; V738-V833 HydrophobicContact CG2-CB 4.19Å; V738-V833 HydrophobicContact CG2-CG1 4.47Å; V738-V833 HydrophobicContact CG2-CG2 4.27Å; L829-V833 VanDerWaalsContact O-CB 3.28Å; L829-V833 WeakPolarHBondContact O-CB 3.23Å; L829-V833 VanDerWaalsContact O-CG2 3.23Å; L829-V833 WeakPolarHBondContact O-CG2 3.36Å; L829-V833 PolarHBondContact O-N 3.27Å; V833-F835 VanDerWaalsContact C-N 3.31Å; V833-F835 PolarHBondContact O-N 3.15Å; V833-F836 PolarHBondContact O-N 3.36Å; V833-H837 PolarHBondContact O-N 2.78Å; V833-H837 PolarHBondContact O-ND1 3.3Å
834T97.8Very high96.2Very high1 Ų118.8 Ų18.81%0.0069%0.085CC..Hα-helixtrans-59.9-41.9175.2-59.30000111.5Y763 T764 N767 I830 F836 H837 C838Y763-T834 HydrophobicContact CD1-CG2 3.91Å; Y763-T834 HydrophobicContact CE1-CG2 3.91Å; T764-T834 PolarHBondContact OG1-OG1 3.01Å; N767-T834 HydrophobicContact CB-CG2 4.02Å; I830-T834 WeakPolarHBondContact O-CB 3.3Å; I830-T834 PolarHBondContact O-N 3.08Å; I830-T834 PolarHBondContact O-OG1 2.83Å; T834-F836 PolarHBondContact O-N 3.38Å; T834-H837 PolarHBondContact O-N 3.29Å; T834-C838 WeakPolarHBondContact O-CB 3.4Å; T834-C838 PolarHBondContact O-N 2.81Å
835F96.9Very high95.8Very high45 Ų4519.8 Ų19.820%0.1979%0.091CC..Hα-helixtrans-59.5-47.3178.2178.2-94.8000111.9L799 Y802 A831 F832 V833 H837 C838 F839L799-F835 HydrophobicContact CD1-CE2 3.78Å; L799-F835 HydrophobicContact CD1-CZ 4.23Å; Y802-F835 AromaticContact CD1-CD2 3.72Å; Y802-F835 HydrophobicContact CD1-CD2 3.72Å; Y802-F835 AromaticContact CD1-CE2 3.95Å; Y802-F835 HydrophobicContact CD1-CE2 3.95Å; Y802-F835 HydrophobicContact CD1-CG 4.3Å; Y802-F835 HydrophobicContact CD2-CB 3.88Å; Y802-F835 AromaticContact CD2-CD2 3.98Å; Y802-F835 HydrophobicContact CD2-CD2 3.98Å; Y802-F835 HydrophobicContact CD2-CG 4.17Å; Y802-F835 AromaticContact CE1-CD2 3.98Å; Y802-F835 HydrophobicContact CE1-CD2 3.98Å; Y802-F835 HydrophobicContact CE1-CE2 4.24Å; Y802-F835 HydrophobicContact CE1-CG 4.13Å; Y802-F835 HydrophobicContact CE2-CB 3.65Å; Y802-F835 HydrophobicContact CE2-CD2 4.22Å; Y802-F835 AromaticContact CE2-CG 3.99Å; Y802-F835 HydrophobicContact CE2-CG 3.99Å; Y802-F835 HydrophobicContact CG-CB 4.48Å; Y802-F835 AromaticContact CG-CD2 3.71Å; Y802-F835 HydrophobicContact CG-CD2 3.71Å; Y802-F835 HydrophobicContact CG-CE2 4.33Å; Y802-F835 HydrophobicContact CG-CG 4.31Å; Y802-F835 AromaticContact CZ-CG 3.96Å; A831-F835 VanDerWaalsContact O-CB 3.28Å; A831-F835 WeakPolarHBondContact O-CB 3.22Å; A831-F835 PolarHBondContact O-N 3.12Å; F832-F835 WeakPolarHBondContact O-CB 3.36Å; F832-F835 PolarHBondContact O-N 2.98Å; V833-F835 VanDerWaalsContact C-N 3.31Å; V833-F835 PolarHBondContact O-N 3.15Å; F835-H837 VanDerWaalsContact C-N 3.32Å; F835-H837 PolarHBondContact O-N 3.48Å; F835-C838 PolarHBondContact O-N 2.66Å; F835-F839 AromaticContact CD2-CD2 3.51Å; F835-F839 HydrophobicContact CD2-CD2 3.51Å; F835-F839 AromaticContact CD2-CE2 3.67Å; F835-F839 HydrophobicContact CD2-CE2 3.67Å; F835-F839 AromaticContact CE2-CD2 3.34Å; F835-F839 HydrophobicContact CE2-CD2 3.34Å; F835-F839 AromaticContact CE2-CE2 3.41Å; F835-F839 HydrophobicContact CE2-CE2 3.41Å; F835-F839 VanDerWaalsContact CE2-CE2 3.41Å; F835-F839 HydrophobicContact CE2-CG 4.06Å; F835-F839 HydrophobicContact CE2-CZ 4.19Å; F835-F839 HydrophobicContact CG-CD2 4.19Å; F835-F839 AromaticContact CZ-CD2 3.9Å; F835-F839 HydrophobicContact CZ-CD2 3.9Å; F835-F839 HydrophobicContact CZ-CE2 4.3Å; F835-F839 HydrophobicContact CZ-CG 4.19Å; F835-F839 WeakPolarHBondContact O-CB 3.49Å; F835-F839 PolarHBondContact O-N 3.4Å
836F96.3Very high95.2Very high63 Ų6316.6 Ų16.628%0.2768%0.079SC..Hα-helixtrans-64.7-35.6176.1-82.5-75.8000113.1F507 F832 V833 T834 A840 I841F507-F836 HydrophobicContact CE1-CB 4.39Å; F507-F836 AromaticContact CE1-CD1 3.86Å; F507-F836 HydrophobicContact CE1-CD1 3.86Å; F507-F836 HydrophobicContact CE1-CE1 4.45Å; F507-F836 HydrophobicContact CE1-CG 4.17Å; F507-F836 AromaticContact CZ-CD1 3.96Å; F507-F836 HydrophobicContact CZ-CD1 3.96Å; F507-F836 HydrophobicContact CZ-CE1 4.17Å; F507-F836 HydrophobicContact CZ-CG 4.25Å; F832-F836 HydrophobicContact CD1-CD2 4.04Å; F832-F836 HydrophobicContact CD1-CE2 4.08Å; F832-F836 HydrophobicContact CD2-CE2 4.03Å; F832-F836 AromaticContact CE1-CD2 3.83Å; F832-F836 HydrophobicContact CE1-CD2 3.83Å; F832-F836 AromaticContact CE1-CE2 3.55Å; F832-F836 HydrophobicContact CE1-CE2 3.55Å; F832-F836 HydrophobicContact CE2-CD2 4.38Å; F832-F836 AromaticContact CE2-CE2 3.52Å; F832-F836 HydrophobicContact CE2-CE2 3.52Å; F832-F836 HydrophobicContact CE2-CZ 4.38Å; F832-F836 HydrophobicContact CG-CD2 4.41Å; F832-F836 HydrophobicContact CG-CE2 4.3Å; F832-F836 HydrophobicContact CZ-CD2 4.03Å; F832-F836 AromaticContact CZ-CE2 3.27Å; F832-F836 HydrophobicContact CZ-CE2 3.27Å; F832-F836 HydrophobicContact CZ-CZ 4.09Å; F832-F836 WeakPolarHBondContact O-CD2 3.44Å; F832-F836 PolarHBondContact O-N 3.05Å; F832-F836 VanDerWaalsContact O-N 3.15Å; V833-F836 PolarHBondContact O-N 3.36Å; T834-F836 PolarHBondContact O-N 3.38Å; F836-A840 WeakPolarHBondContact O-CA 3.02Å; F836-A840 WeakPolarHBondContact O-CB 3.39Å; F836-A840 PolarHBondContact O-N 2.96Å; F836-I841 PolarHBondContact O-N 2.59Å
837H96.4Very high94.6Very high4 Ų417 Ų172%0.0198%0.082CC..Iπ-helixtrans-63.2-49.1173.9-77.775.6000111Y508 Y511 T730 S733 V734 V833 T834 F835 L842Y508-H837 AromaticContact CE2-NE2 3.99Å; Y511-H837 AromaticContact CE1-CE1 3.77Å; Y511-H837 AromaticContact CE1-NE2 4Å; Y511-H837 AromaticContact CZ-CE1 3.55Å; Y511-H837 PolarHBondContact OH-CE1 3.45Å; T730-H837 HydrophobicContact CG2-CB 4.03Å; S733-H837 PolarHBondContact OG-NE2 3.03Å; V734-H837 HydrophobicContact CG2-CB 4.09Å; V833-H837 PolarHBondContact O-N 2.78Å; V833-H837 PolarHBondContact O-ND1 3.3Å; T834-H837 PolarHBondContact O-N 3.29Å; F835-H837 VanDerWaalsContact C-N 3.32Å; F835-H837 PolarHBondContact O-N 3.48Å; H837-L842 WeakPolarHBondContact O-CB 3.42Å; H837-L842 PolarHBondContact O-N 3.07Å
838C94.9Very high93.8Very high1 Ų122.3 Ų22.31%0.00711%0.105CC..Iπ-helixtrans-67.1-41.5-176.8-166.20000113.2M771 T834 F835 P843M771-C838 WeakPolarHBondContact CE-O 3.3Å; T834-C838 WeakPolarHBondContact O-CB 3.4Å; T834-C838 PolarHBondContact O-N 2.81Å; F835-C838 PolarHBondContact O-N 2.66Å; C838-P843 VanDerWaalsContact O-CD 3.3Å; C838-P843 WeakPolarHBondContact O-CD 3.34Å; C838-P843 WeakPolarHBondContact O-CG 3.26Å
839F95Very high92.2Very high7 Ų723.4 Ų23.43%0.03111%0.112CC..Iπ-helixtrans-96.6-26-172.8-79.3-87.5000114.4L487 Y491 L791 G795 I798 L799 F835 P843L487-F839 HydrophobicContact CD1-CE1 4.18Å; Y491-F839 HydrophobicContact CE1-CB 4.32Å; Y491-F839 AromaticContact CE1-CD1 3.88Å; Y491-F839 HydrophobicContact CE1-CD1 3.88Å; Y491-F839 VanDerWaalsContact OH-C 3.28Å; Y491-F839 WeakPolarHBondContact OH-CB 3.32Å; Y491-F839 PolarHBondContact OH-O 2.91Å; L791-F839 HydrophobicContact CD2-CD1 4.15Å; L791-F839 HydrophobicContact CD2-CE1 4.42Å; G795-F839 WeakPolarHBondContact O-CZ 3.44Å; I798-F839 HydrophobicContact CB-CE2 4.22Å; I798-F839 HydrophobicContact CB-CZ 4.22Å; I798-F839 HydrophobicContact CG2-CD2 4.47Å; I798-F839 HydrophobicContact CG2-CE2 3.46Å; I798-F839 VanDerWaalsContact CG2-CE2 3.46Å; I798-F839 HydrophobicContact CG2-CZ 3.96Å; L799-F839 HydrophobicContact CB-CZ 4.06Å; F835-F839 AromaticContact CD2-CD2 3.51Å; F835-F839 HydrophobicContact CD2-CD2 3.51Å; F835-F839 AromaticContact CD2-CE2 3.67Å; F835-F839 HydrophobicContact CD2-CE2 3.67Å; F835-F839 AromaticContact CE2-CD2 3.34Å; F835-F839 HydrophobicContact CE2-CD2 3.34Å; F835-F839 AromaticContact CE2-CE2 3.41Å; F835-F839 HydrophobicContact CE2-CE2 3.41Å; F835-F839 VanDerWaalsContact CE2-CE2 3.41Å; F835-F839 HydrophobicContact CE2-CG 4.06Å; F835-F839 HydrophobicContact CE2-CZ 4.19Å; F835-F839 HydrophobicContact CG-CD2 4.19Å; F835-F839 AromaticContact CZ-CD2 3.9Å; F835-F839 HydrophobicContact CZ-CD2 3.9Å; F835-F839 HydrophobicContact CZ-CE2 4.3Å; F835-F839 HydrophobicContact CZ-CG 4.19Å; F835-F839 WeakPolarHBondContact O-CB 3.49Å; F835-F839 PolarHBondContact O-N 3.4Å; F839-P843 WeakPolarHBondContact O-CG 3.1Å
840A94.7Very high89.9Confident12 Ų1227.8 Ų27.810%0.09914%0.142CC..Iπ-helixtrans-116.8-62.4-176.300000113.5I495 V504 F836 P843 V844I495-A840 HydrophobicContact CD1-CB 4.29Å; V504-A840 HydrophobicContact CG1-CB 4.43Å; F836-A840 WeakPolarHBondContact O-CA 3.02Å; F836-A840 WeakPolarHBondContact O-CB 3.39Å; F836-A840 PolarHBondContact O-N 2.96Å; A840-P843 WeakPolarHBondContact O-CD 3.3Å; A840-V844 WeakPolarHBondContact O-CG2 3.32Å; A840-V844 PolarHBondContact O-N 3.11Å
841I94.2Very high87.6Confident7 Ų732.3 Ų32.34%0.03617%0.171CC..Iπ-helixtrans-65.9-50.9-169.3-61.7159.4000110.5Y508 F836 V844 I845Y508-I841 HydrophobicContact CD2-CD1 3.63Å; Y508-I841 HydrophobicContact CD2-CG1 3.97Å; Y508-I841 HydrophobicContact CD2-CG2 3.78Å; Y508-I841 HydrophobicContact CE2-CD1 4.14Å; Y508-I841 HydrophobicContact CE2-CG2 3.95Å; Y508-I841 HydrophobicContact CG-CG2 4.27Å; F836-I841 PolarHBondContact O-N 2.59Å; I841-V844 PolarHBondContact O-N 3.5Å; I841-I845 HydrophobicContact CG2-CD1 3.53Å; I841-I845 HydrophobicContact CG2-CG1 4.31Å; I841-I845 WeakPolarHBondContact O-CB 3.17Å; I841-I845 VanDerWaalsContact O-CG1 3.29Å; I841-I845 WeakPolarHBondContact O-CG1 3.34Å; I841-I845 PolarHBondContact O-N 3.19Å
842L91.7Very high84.7Confident4 Ų437.2 Ų37.22%0.02121%0.206CC..Hα-helixtrans-65.8-48.8-176.3-167.566.8000112.2C768 M771 L772 H837 V844 I845 L846C768-L842 HydrophobicContact CB-CD2 4.18Å; M771-L842 HydrophobicContact CE-CB 4.45Å; M771-L842 HydrophobicContact CE-CD2 4.13Å; M771-L842 HydrophobicContact CE-CG 4.36Å; L772-L842 HydrophobicContact CD1-CD1 4.43Å; L772-L842 HydrophobicContact CD1-CD2 4.01Å; L772-L842 HydrophobicContact CD2-CD1 4.04Å; L772-L842 HydrophobicContact CD2-CD2 4.14Å; L772-L842 HydrophobicContact CD2-CG 4.26Å; L772-L842 HydrophobicContact CG-CD2 3.84Å; H837-L842 WeakPolarHBondContact O-CB 3.42Å; H837-L842 PolarHBondContact O-N 3.07Å; L842-V844 VanDerWaalsContact C-N 3.3Å; L842-V844 PolarHBondContact O-N 3.15Å; L842-I845 PolarHBondContact O-N 3.26Å; L842-L846 HydrophobicContact CD1-CD1 4.41Å; L842-L846 HydrophobicContact CD1-CG 4.38Å; L842-L846 HydrophobicContact CG-CD1 3.96Å; L842-L846 HydrophobicContact CG-CG 4.36Å; L842-L846 WeakPolarHBondContact O-CB 3.44Å; L842-L846 WeakPolarHBondContact O-CG 3.48Å; L842-L846 PolarHBondContact O-N 3.47Å
843P92.3Very high82.1Confident1 Ų141.9 Ų41.91%0.00623%0.226CC..Hα-helixtrans-51-46.4173.3-33.641.4000113.6I495 M771 V787 L791 C838 F839 A840 T847I495-P843 HydrophobicContact CG1-CB 4.31Å; M771-P843 HydrophobicContact CE-CG 3.59Å; V787-P843 HydrophobicContact CG1-CB 3.61Å; V787-P843 HydrophobicContact CG1-CG 4.46Å; L791-P843 HydrophobicContact CD1-CB 4.38Å; L791-P843 HydrophobicContact CD1-CG 4.19Å; L791-P843 HydrophobicContact CD2-CG 4.26Å; C838-P843 VanDerWaalsContact O-CD 3.3Å; C838-P843 WeakPolarHBondContact O-CD 3.34Å; C838-P843 WeakPolarHBondContact O-CG 3.26Å; F839-P843 WeakPolarHBondContact O-CG 3.1Å; A840-P843 WeakPolarHBondContact O-CD 3.3Å; P843-T847 VanDerWaalsContact O-CG2 3.24Å; P843-T847 WeakPolarHBondContact O-CG2 3.44Å; P843-T847 PolarHBondContact O-N 2.93Å
844V91.2Very high79.3Confident2 Ų251.3 Ų51.31%0.01227%0.266CS..Hα-helixtrans-69.3-46.7-177.3170.20000111.6I495 K501 V504 A840 I841 L842 L846 T847 F848I495-V844 HydrophobicContact CD1-CG2 4.14Å; I495-V844 HydrophobicContact CG1-CG2 4.28Å; K501-V844 HydrophobicContact CB-CG1 3.93Å; K501-V844 HydrophobicContact CG-CG1 4.14Å; V504-V844 HydrophobicContact CB-CB 4.32Å; V504-V844 HydrophobicContact CB-CG1 4.24Å; V504-V844 HydrophobicContact CB-CG2 3.93Å; V504-V844 HydrophobicContact CG1-CB 3.89Å; V504-V844 HydrophobicContact CG1-CG1 4.17Å; V504-V844 HydrophobicContact CG1-CG2 3.8Å; V504-V844 HydrophobicContact CG2-CG2 3.96Å; A840-V844 WeakPolarHBondContact O-CG2 3.32Å; A840-V844 PolarHBondContact O-N 3.11Å; I841-V844 PolarHBondContact O-N 3.5Å; L842-V844 VanDerWaalsContact C-N 3.3Å; L842-V844 PolarHBondContact O-N 3.15Å; V844-L846 VanDerWaalsContact C-N 3.3Å; V844-L846 PolarHBondContact O-N 3.01Å; V844-T847 WeakPolarHBondContact O-CB 3.3Å; V844-T847 PolarHBondContact O-N 2.75Å; V844-T847 PolarHBondContact O-OG1 3.28Å; V844-F848 HydrophobicContact CG1-CD2 4.15Å; V844-F848 HydrophobicContact CG1-CE2 3.45Å; V844-F848 VanDerWaalsContact CG1-CE2 3.45Å; V844-F848 HydrophobicContact CG1-CZ 4.1Å; V844-F848 WeakPolarHBondContact O-CD2 2.97Å; V844-F848 PolarHBondContact O-N 2.66Å
845I87.6Confident76.6Confident49 Ų4960.8 Ų60.825%0.25131%0.307SS..Hα-helixtrans-57.2-45.4177.2-71175.3000110.8W726 I841 L842 T847 F848 L849W726-I845 HydrophobicContact CE3-CG2 4.38Å; W726-I845 HydrophobicContact CH2-CG2 3.79Å; W726-I845 HydrophobicContact CZ3-CG2 3.61Å; I841-I845 HydrophobicContact CG2-CD1 3.53Å; I841-I845 HydrophobicContact CG2-CG1 4.31Å; I841-I845 WeakPolarHBondContact O-CB 3.17Å; I841-I845 VanDerWaalsContact O-CG1 3.29Å; I841-I845 WeakPolarHBondContact O-CG1 3.34Å; I841-I845 PolarHBondContact O-N 3.19Å; L842-I845 PolarHBondContact O-N 3.26Å; I845-T847 PolarHBondContact O-N 2.64Å; I845-F848 PolarHBondContact O-N 3.38Å; I845-L849 HydrophobicContact CG2-CD1 4.13Å; I845-L849 WeakPolarHBondContact O-CD1 3.25Å
846L86.1Confident73.8Confident2 Ų269.3 Ų69.31%0.0134%0.338CS..Hα-helixtrans-63.5-24.1178.6-66175.6000112.7W726 L772 F775 V787 L842 V844W726-L846 HydrophobicContact CD2-CD2 4.48Å; W726-L846 HydrophobicContact CG-CD2 4.47Å; L772-L846 HydrophobicContact CD2-CD1 3.81Å; L772-L846 HydrophobicContact CD2-CD2 3.89Å; L772-L846 HydrophobicContact CD2-CG 4.39Å; F775-L846 HydrophobicContact CB-CD1 4.34Å; F775-L846 HydrophobicContact CD1-CB 4.3Å; F775-L846 HydrophobicContact CD1-CD1 3.85Å; F775-L846 HydrophobicContact CD1-CD2 3.81Å; F775-L846 HydrophobicContact CD1-CG 4.19Å; F775-L846 HydrophobicContact CD2-CB 4.45Å; F775-L846 HydrophobicContact CD2-CD1 4.39Å; F775-L846 HydrophobicContact CE1-CB 3.89Å; F775-L846 HydrophobicContact CE1-CD1 4.27Å; F775-L846 HydrophobicContact CE1-CD2 3.64Å; F775-L846 HydrophobicContact CE1-CG 4.12Å; F775-L846 HydrophobicContact CE2-CB 4.06Å; F775-L846 HydrophobicContact CG-CD1 3.92Å; F775-L846 HydrophobicContact CZ-CB 3.76Å; F775-L846 HydrophobicContact CZ-CD2 4.37Å; F775-L846 HydrophobicContact CZ-CG 4.48Å; F775-L846 WeakPolarHBondContact CZ-O 3.22Å; V787-L846 HydrophobicContact CG2-CB 3.96Å; L842-L846 HydrophobicContact CD1-CD1 4.41Å; L842-L846 HydrophobicContact CD1-CG 4.38Å; L842-L846 HydrophobicContact CG-CD1 3.96Å; L842-L846 HydrophobicContact CG-CG 4.36Å; L842-L846 WeakPolarHBondContact O-CB 3.44Å; L842-L846 WeakPolarHBondContact O-CG 3.48Å; L842-L846 PolarHBondContact O-N 3.47Å; V844-L846 VanDerWaalsContact C-N 3.3Å; V844-L846 PolarHBondContact O-N 3.01Å
847T85.2Confident71Confident10 Ų1075.9 Ų75.96%0.06137%0.367CS..Hα-helixtrans-74.7-23.9172.574.60000114.2K501 R783 V787 P843 V844 I845K501-T847 VanDerWaalsContact CE-OG1 3.25Å; K501-T847 WeakPolarHBondContact CE-OG1 3.32Å; K501-T847 PolarHBondContact NZ-OG1 3.17Å; R783-T847 PolarHBondContact NH1-O 3.27Å; V787-T847 HydrophobicContact CG2-CG2 4.11Å; P843-T847 VanDerWaalsContact O-CG2 3.24Å; P843-T847 WeakPolarHBondContact O-CG2 3.44Å; P843-T847 PolarHBondContact O-N 2.93Å; V844-T847 WeakPolarHBondContact O-CB 3.3Å; V844-T847 PolarHBondContact O-N 2.75Å; V844-T847 PolarHBondContact O-OG1 3.28Å; I845-T847 PolarHBondContact O-N 2.64Å
848F79.7Confident68.3Low112 Ų11283.1 Ų83.149%0.49140%0.4SS..Hα-helixtrans-79.6-30.6-175.8-71.5-58.8000113.9K501 V505 R783 V844 I845K501-F848 HydrophobicContact CB-CE1 4.3Å; K501-F848 HydrophobicContact CB-CE2 4.43Å; K501-F848 HydrophobicContact CB-CZ 3.67Å; K501-F848 HydrophobicContact CD-CE1 3.92Å; K501-F848 HydrophobicContact CD-CZ 3.99Å; K501-F848 HydrophobicContact CG-CZ 4.41Å; V505-F848 HydrophobicContact CG2-CE2 3.71Å; V505-F848 HydrophobicContact CG2-CZ 4.04Å; R783-F848 PolarHBondContact NH1-O 2.85Å; V844-F848 HydrophobicContact CG1-CD2 4.15Å; V844-F848 HydrophobicContact CG1-CE2 3.45Å; V844-F848 VanDerWaalsContact CG1-CE2 3.45Å; V844-F848 HydrophobicContact CG1-CZ 4.1Å; V844-F848 WeakPolarHBondContact O-CD2 2.97Å; V844-F848 PolarHBondContact O-N 2.66Å; I845-F848 PolarHBondContact O-N 3.38Å
849L64.7Low65.6Low72 Ų7293.1 Ų93.138%0.37744%0.444SS..SBendtrans-83.1125-167-71.1140.7000117.3W726 R783 I845W726-L849 HydrophobicContact CH2-CD1 3.55Å; W726-L849 HydrophobicContact CH2-CD2 4.4Å; W726-L849 HydrophobicContact CZ2-CD1 3.14Å; W726-L849 HydrophobicContact CZ2-CD2 3.99Å; W726-L849 HydrophobicContact CZ2-CG 4.17Å; R783-L849 WeakPolarHBondContact CD-O 3.5Å; R783-L849 PolarHBondContact NE-O 3.46Å; R783-L849 VanDerWaalsContact NH1-N 3.11Å; R783-L849 PolarHBondContact NH1-O 3.12Å; R783-L849 PolarHBondContact NH2-O 2.72Å; I845-L849 HydrophobicContact CG2-CD1 4.13Å; I845-L849 WeakPolarHBondContact O-CD1 3.25Å
850P50.7Low62.8Low106 Ų106100.2 Ų100.269%0.68848%0.475SS*.  trans-45.3136.1-178.820.3-32.9000114.7S852P850-S852 PolarHBondContact O-N 3.44Å
851P50.8Low60.2Low95 Ų95106.1 Ų106.162%0.61751%0.505SS*.  trans-80.7113.9154.434.5-21.7000106.8K853P851-K853 VanDerWaalsContact C-N 3.29Å; P851-K853 PolarHBondContact O-N 3.02Å; P851-K853 VanDerWaalsContact O-N 3.12Å
852S37.2Very low57.7Low104 Ų104111.2 Ų111.273%0.72754%0.538SS*.  trans-60.5106.4135.9167.40000106.6P850P850-S852 PolarHBondContact O-N 3.44Å
853K43.6Very low55.4Low177 Ų177119.4 Ų119.477%0.7758%0.576SS**  173110.4128.7-89.6158-164.9179.60110.3P851 K855P851-K853 VanDerWaalsContact C-N 3.29Å; P851-K853 PolarHBondContact O-N 3.02Å; P851-K853 VanDerWaalsContact O-N 3.12Å; K853-K855 PolarHBondContact O-N 3.01Å
854K37.6Very low52.8Low203 Ų203125.5 Ų125.588%0.88361%0.609SS**  trans11.4107.8153-62.1177.8179.4179.60113.1R856K854-R856 VanDerWaalsContact C-N 3.31Å; K854-R856 PolarHBondContact O-N 2.67Å
855K41.4Very low50Low200 Ų200136.5 Ų136.587%0.8765%0.65SS**  trans-43.3110.8144.9-78.4-177.5177.1178.50104.5K853 K857K853-K855 PolarHBondContact O-N 3.01Å; K855-K857 VanDerWaalsContact C-N 3.32Å; K855-K857 PolarHBondContact O-N 3.26Å
856R39.7Very low47.6Very low225 Ų225141.9 Ų141.985%0.84967%0.674SS**  trans-52.7113.8165.6-159.3175.5-176.1-177.9-1.3102.1K854 E858K854-R856 VanDerWaalsContact C-N 3.31Å; K854-R856 PolarHBondContact O-N 2.67Å; R856-E858 PolarHBondContact O-N 2.86Å
857K37.2Very low45.1Very low201 Ų201151.1 Ų151.187%0.87472%0.717SS**  trans-59.990.7174.4-78.8-176174.9-177.30104K855 K859K855-K857 VanDerWaalsContact C-N 3.32Å; K855-K857 PolarHBondContact O-N 3.26Å; K857-K859 PolarHBondContact O-N 2.8Å; K857-K859 VanDerWaalsContact O-N 3.11Å
858E39.8Very low42.7Very low156 Ų156158 Ų15873%0.72975%0.752SS**  trans-52.7120.3156.4-77.1-177.3157.900103.6R856 K860R856-E858 PolarHBondContact O-N 2.86Å; E858-K860 PolarHBondContact O-N 3Å
859K37Very low40.5Very low211 Ų211161.3 Ų161.392%0.91777%0.769SS**  trans-59.283164-80.7178170.5-178.10105.3K857 N861K857-K859 PolarHBondContact O-N 2.8Å; K857-K859 VanDerWaalsContact O-N 3.11Å; K859-N861 PolarHBondContact O-N 2.82Å
860K36.4Very low38.8Very low156 Ų156163.4 Ų163.468%0.67879%0.788SS**  trans-64.3122.3169.7-83.9-168.1170.8-1690105.6E858E858-K860 PolarHBondContact O-N 3Å
861N40.2Very low38Very low136 Ų136164.3 Ų164.373%0.72779%0.791SS**  trans-50.5137.8167.6-116.3-2.9000108.4K859 E863K859-N861 PolarHBondContact O-N 2.82Å; N861-E863 PolarHBondContact O-N 3.11Å
862P41.5Very low37Very low114 Ų114168 Ų16874%0.7480%0.8SS**THydrogen-bonded Turntrans-681.7-168.724.9-32.4000115.4
863E43.4Very low36.9Very low176 Ų176171 Ų17182%0.82281%0.805SS**THydrogen-bonded Turntrans-89.6-13.3-176.3-69-176.1163.200114.9N861N861-E863 PolarHBondContact O-N 3.11Å
864N37.6Very low36.6Very low128 Ų128168 Ų16868%0.68480%0.801SS**  trans-105.668.9172.1-88.25.3000111.1E866N864-E866 VanDerWaalsContact C-N 3.33Å; N864-E866 PolarHBondContact O-N 2.7Å
865R32.7Very low36.7Very low234 Ų234166 Ų16688%0.88380%0.8SS**  trans-90.870.5170.6-155.2179-168.8-177.71.5108.5E867R865-E867 PolarHBondContact O-N 3.16Å
866E36.6Very low36.5Very low162 Ų162163.2 Ų163.276%0.75779%0.793SS**  trans-66.9130.6167.6-75.1178.116800109.1N864 I868N864-E866 VanDerWaalsContact C-N 3.33Å; N864-E866 PolarHBondContact O-N 2.7Å; E866-I868 PolarHBondContact O-N 3.12Å
867E34.5Very low36.5Very low196 Ų196158.3 Ų158.392%0.91678%0.784SS**  trans-56.5111.8-176.9-67.2172.4155.600110R865 E869R865-E867 PolarHBondContact O-N 3.16Å; E867-E869 PolarHBondContact O-N 2.94Å
868I35.1Very low36.6Very low154 Ų154154.7 Ų154.779%0.7978%0.784SS**  trans-80110.5171.1-61.8172.4000105.6E866 C870E866-I868 PolarHBondContact O-N 3.12Å; I868-C870 PolarHBondContact O-N 3.02Å
869E32Very low36.5Very low181 Ų181152.7 Ų152.785%0.84678%0.782SS**  trans-53.3107.3165.7-85.4-177.9146.200108.8E867 V871E867-E869 PolarHBondContact O-N 2.94Å; E869-V871 PolarHBondContact O-N 3.01Å
870C29.7Very low36.8Very low116 Ų116153 Ų15378%0.78478%0.778SS**  trans-66.997168.7-68.70000107.8I868 E872I868-C870 PolarHBondContact O-N 3.02Å; C870-E872 VanDerWaalsContact C-N 3.27Å; C870-E872 PolarHBondContact O-N 3.17Å
871V34.3Very low37Very low125 Ų125151 Ų15176%0.75878%0.779SS**  trans-70.696157.2-179.80000105.8E869 M873E869-V871 PolarHBondContact O-N 3.01Å; V871-M873 PolarHBondContact O-N 3.25Å
872E30.2Very low37Very low172 Ų172150.8 Ų150.880%0.80478%0.782SS**  trans-54.9100.9165.2-92.6-178.9149.900108C870 V874C870-E872 VanDerWaalsContact C-N 3.27Å; C870-E872 PolarHBondContact O-N 3.17Å; E872-V874 VanDerWaalsContact C-N 3.33Å; E872-V874 PolarHBondContact O-N 2.97Å; E872-V874 VanDerWaalsContact O-N 3.16Å
873M34.2Very low36.9Very low169 Ų169151.6 Ų151.683%0.83378%0.78SS**  trans-74.899.8157.4-69.5-135.4-63.500105.9V871 D875V871-M873 PolarHBondContact O-N 3.25Å; M873-D875 PolarHBondContact O-N 3.34Å; M873-D875 VanDerWaalsContact O-N 3.12Å
874V38.6Very low36.7Very low112 Ų112150.6 Ų150.668%0.67978%0.775SS**  trans-48.5117.7168.7179.50000107.7E872 I876E872-V874 VanDerWaalsContact C-N 3.33Å; E872-V874 PolarHBondContact O-N 2.97Å; E872-V874 VanDerWaalsContact O-N 3.16Å; V874-I876 HydrophobicContact CB-CG1 4.43Å; V874-I876 HydrophobicContact CG1-CD1 4.45Å; V874-I876 HydrophobicContact CG1-CG1 3.88Å; V874-I876 PolarHBondContact O-N 2.95Å
875D38Very low36.8Very low162 Ų162151.1 Ų151.187%0.86678%0.777SS**  trans-60.183171.6-82.3-42000109.1M873 D877M873-D875 PolarHBondContact O-N 3.34Å; M873-D875 VanDerWaalsContact O-N 3.12Å; D875-D877 PolarHBondContact O-N 3.34Å
876I38.8Very low37Very low141 Ų141145.6 Ų145.672%0.72377%0.769SS**  trans-87.789.6168.9-60.8175.5000107.2V874V874-I876 HydrophobicContact CB-CG1 4.43Å; V874-I876 HydrophobicContact CG1-CD1 4.45Å; V874-I876 HydrophobicContact CG1-CG1 3.88Å; V874-I876 PolarHBondContact O-N 2.95Å
877D39.2Very low37Very low123 Ų123143.5 Ų143.566%0.65877%0.768SS**  trans51.691.4146.8-70.1-37.3000118.1D875 T879D875-D877 PolarHBondContact O-N 3.34Å; D877-T879 PolarHBondContact O-N 3.48Å
878S38.3Very low37.2Very low125 Ų125143.6 Ų143.687%0.87478%0.781SS**SBendtrans-69.830.9161.8580000114.5
879T37.9Very low37.3Very low113 Ų113143.1 Ų143.169%0.69378%0.78SS**  trans-110.715.3-173.944.70000115.5D877D877-T879 PolarHBondContact O-N 3.48Å
880R43.2Very low37.6Very low219 Ų219141.1 Ų141.183%0.82678%0.777SS**SBendtrans-124.51.4-179.8-98-174.3145157.3-3.4119.2
881V41.6Very low38Very low114 Ų114142.4 Ų142.469%0.69178%0.777SS**SBendtrans-91.1-19.6-176.6-176.10000113.3
882V40Very low38.2Very low130 Ų130143.5 Ų143.579%0.78878%0.778SS**G310 helixtrans-75.6-24.8-178.8-178.30000112.8
883D39.6Very low38.7Very low132 Ų132141.7 Ų141.771%0.70678%0.776SS**G310 helixtrans-89.1-4-179-84-8.6000115.3
884Q39.3Very low39Very low155 Ų155139.9 Ų139.972%0.72477%0.772SS**G310 helixtrans-95.5-1.7179-79.4-168.7-21.300114.8
885I38.5Very low39Very low139 Ų139141.9 Ų141.971%0.71378%0.779SS**SBendtrans-90.4-7.1178.4-63.4178.8000112.4
886T38.4Very low39.1Very low118 Ų118140.3 Ų140.372%0.72477%0.772SS**SBendtrans-105.713.2178.642.60000115.7
887T36.8Very low39.2Very low118 Ų118140.3 Ų140.372%0.72478%0.776SS**  trans-139.427.5178.340.20000116.6
888V37.2Very low39.2Very low197 Ų197141.8 Ų141.8100%1.19479%0.787SS**  trans-136.10156.7-177.40000107.8

Retrieved 888 of 888 residues in 226.9 ms (Link to these results)

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