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NADH-ubiquinone oxidoreductase chain 5

Core subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I) which catalyzes electron transfer from NADH through the respiratory chain, using ubiquinone as an electron acceptor. Essential for the catalytic activity and assembly of complex I.

AlphaFold DB , UniProt , Accession A0A075X6Z5, Species HUMAN (Homo sapiens, Human), Gene ND5, Length 333 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
1M60.7Low78.6Confident136 Ų13660.7 Ų60.767%0.6733%0.332SS*.  0-72.50-67.4-68.6178.800112.4M3 H4 T5 V61M1-M3 PolarHBondContact O-N 3Å; M1-H4 WeakPolarHBondContact O-CB 3.4Å; M1-H4 PolarHBondContact O-N 3.19Å; M1-H4 VanDerWaalsContact O-N 3.09Å; M1-T5 PolarHBondContact O-N 3.26Å; M1-T5 VanDerWaalsContact O-N 3.14Å; M1-T5 PolarHBondContact O-OG1 2.92Å; M1-V61 HydrophobicContact SD-CG2 4.19Å
2T72.4Confident79Confident114 Ų11458.2 Ų58.270%0.69932%0.317SS*.Hα-helixtrans-63.3-45.8-173.152.80000114.7H4 T5 T6T2-H4 PolarHBondContact O-N 3.47Å; T2-T5 PolarHBondContact O-N 3.31Å; T2-T5 PolarHBondContact O-OG1 3.22Å; T2-T6 VanDerWaalsContact O-CG2 3.3Å; T2-T6 WeakPolarHBondContact O-CG2 3.41Å; T2-T6 PolarHBondContact O-N 3.38Å; T2-T6 PolarHBondContact O-OG1 2.9Å; T2-T6 VanDerWaalsContact O-OG1 3.07Å
3M77Confident79.7Confident111 Ų11159.6 Ų59.655%0.54733%0.329SS..Hα-helixtrans-58.8-31.4173.8-86.7-100.4-155.500112.9M1 T6 M7 F49M1-M3 PolarHBondContact O-N 3Å; M3-T6 WeakPolarHBondContact CA-OG1 3.37Å; M3-T6 PolarHBondContact O-OG1 3.47Å; M3-T6 VanDerWaalsContact O-OG1 3.05Å; M3-M7 WeakPolarHBondContact O-CB 2.98Å; M3-M7 WeakPolarHBondContact O-CG 3.22Å; M3-M7 PolarHBondContact O-N 3.05Å; M3-M7 VanDerWaalsContact O-N 3.09Å; M3-F49 HydrophobicContact CB-CE1 4.47Å; M3-F49 HydrophobicContact SD-CE1 4.43Å; M3-F49 HydrophobicContact SD-CZ 4.38Å
4H76.4Confident80.4Confident10 Ų1056.9 Ų56.95%0.04632%0.317CS..Hα-helixtrans-76-43.7-176.6-165.633.7000111.6M1 T2 T8 P50 M87M1-H4 WeakPolarHBondContact O-CB 3.4Å; M1-H4 PolarHBondContact O-N 3.19Å; M1-H4 VanDerWaalsContact O-N 3.09Å; T2-H4 PolarHBondContact O-N 3.47Å; H4-T8 WeakPolarHBondContact O-CB 3.44Å; H4-T8 WeakPolarHBondContact O-CG2 3.38Å; H4-T8 PolarHBondContact O-N 3.39Å; H4-T8 PolarHBondContact O-OG1 3.42Å; H4-P50 WeakPolarHBondContact CE1-CB 2.72Å; H4-P50 PolarHBondContact CE1-O 3.35Å; H4-P50 WeakPolarHBondContact ND1-CB 3.44Å; H4-M87 WeakPolarHBondContact CE1-CE 3.37Å; H4-M87 WeakPolarHBondContact NE2-CE 3.47Å
5T79.5Confident81.1Confident42 Ų4253.1 Ų53.126%0.25830%0.296SS..Hα-helixtrans-68.8-37.117657.10000111.9M1 T2 T8 T9 V61 I63M1-T5 PolarHBondContact O-N 3.26Å; M1-T5 VanDerWaalsContact O-N 3.14Å; M1-T5 PolarHBondContact O-OG1 2.92Å; T2-T5 PolarHBondContact O-N 3.31Å; T2-T5 PolarHBondContact O-OG1 3.22Å; T5-T8 WeakPolarHBondContact CA-OG1 3.21Å; T5-T8 PolarHBondContact O-OG1 3.24Å; T5-T9 WeakPolarHBondContact O-CB 3.36Å; T5-T9 VanDerWaalsContact O-CG2 3.23Å; T5-T9 WeakPolarHBondContact O-CG2 3.4Å; T5-T9 PolarHBondContact O-N 3.2Å; T5-T9 PolarHBondContact O-OG1 3.46Å; T5-V61 HydrophobicContact CG2-CG1 3.92Å; T5-I63 HydrophobicContact CG2-CD1 3.77Å; T5-I63 HydrophobicContact CG2-CG1 3.91Å
6T82.1Confident81.7Confident74 Ų7454.6 Ų54.645%0.45430%0.302SS..Hα-helixtrans-67.7-44.3175.855.40000111.9T2 M3 T9 L10T2-T6 VanDerWaalsContact O-CG2 3.3Å; T2-T6 WeakPolarHBondContact O-CG2 3.41Å; T2-T6 PolarHBondContact O-N 3.38Å; T2-T6 PolarHBondContact O-OG1 2.9Å; T2-T6 VanDerWaalsContact O-OG1 3.07Å; M3-T6 WeakPolarHBondContact CA-OG1 3.37Å; M3-T6 PolarHBondContact O-OG1 3.47Å; M3-T6 VanDerWaalsContact O-OG1 3.05Å; T6-T9 WeakPolarHBondContact CA-OG1 3.44Å; T6-T9 PolarHBondContact O-OG1 3.04Å; T6-L10 WeakPolarHBondContact O-CB 3.13Å; T6-L10 PolarHBondContact O-N 3.48Å
7M82Confident82.1Confident53 Ų5354.4 Ų54.426%0.26130%0.303SS..Hα-helixtrans-67.7-40.1-179.7-69.8-65.3-17400112M3 L10 T11 I46 F49M3-M7 WeakPolarHBondContact O-CB 2.98Å; M3-M7 WeakPolarHBondContact O-CG 3.22Å; M3-M7 PolarHBondContact O-N 3.05Å; M3-M7 VanDerWaalsContact O-N 3.09Å; M7-L10 PolarHBondContact O-N 2.91Å; M7-T11 WeakPolarHBondContact O-CG2 3.32Å; M7-T11 PolarHBondContact O-N 2.88Å; M7-I46 HydrophobicContact SD-CG2 4.32Å; M7-F49 HydrophobicContact CB-CD1 4.2Å; M7-F49 HydrophobicContact CG-CD1 3.68Å; M7-F49 HydrophobicContact CG-CE1 4.12Å; M7-F49 HydrophobicContact CG-CG 4.47Å
8T79.9Confident82.4Confident4 Ų451.3 Ų51.33%0.02529%0.286CS..Hα-helixtrans-67.4-45.1177.250.70000112.1H4 T5 L10 T11 L12 P50 I63 L82 M87H4-T8 WeakPolarHBondContact O-CB 3.44Å; H4-T8 WeakPolarHBondContact O-CG2 3.38Å; H4-T8 PolarHBondContact O-N 3.39Å; H4-T8 PolarHBondContact O-OG1 3.42Å; T5-T8 WeakPolarHBondContact CA-OG1 3.21Å; T5-T8 PolarHBondContact O-OG1 3.24Å; T8-L10 PolarHBondContact O-N 3.41Å; T8-T11 PolarHBondContact O-N 3.37Å; T8-T11 VanDerWaalsContact O-N 3.16Å; T8-T11 PolarHBondContact O-OG1 3Å; T8-L12 PolarHBondContact O-N 2.98Å; T8-P50 HydrophobicContact CG2-CB 3.62Å; T8-P50 HydrophobicContact CG2-CG 4.05Å; T8-I63 WeakPolarHBondContact OG1-CD1 3.31Å; T8-L82 HydrophobicContact CG2-CD1 3.37Å; T8-L82 HydrophobicContact CG2-CD2 4.08Å; T8-L82 HydrophobicContact CG2-CG 4.35Å; T8-L82 WeakPolarHBondContact OG1-CD1 3.31Å; T8-M87 HydrophobicContact CG2-CE 4.39Å
9T83.4Confident82.7Confident41 Ų4150.6 Ų50.625%0.25228%0.281SS..Hα-helixtrans-61.5-35.1172.652.30000111.8T5 T6 L12 T13T5-T9 WeakPolarHBondContact O-CB 3.36Å; T5-T9 VanDerWaalsContact O-CG2 3.23Å; T5-T9 WeakPolarHBondContact O-CG2 3.4Å; T5-T9 PolarHBondContact O-N 3.2Å; T5-T9 PolarHBondContact O-OG1 3.46Å; T6-T9 WeakPolarHBondContact CA-OG1 3.44Å; T6-T9 PolarHBondContact O-OG1 3.04Å; T9-L12 PolarHBondContact O-N 3.36Å; T9-T13 WeakPolarHBondContact O-CB 3.27Å; T9-T13 VanDerWaalsContact O-CG2 3.25Å; T9-T13 WeakPolarHBondContact O-CG2 3.34Å; T9-T13 PolarHBondContact O-N 2.9Å; T9-T13 PolarHBondContact O-OG1 3.49Å
10L86.4Confident82.9Confident77 Ų7752.7 Ų52.740%0.40329%0.292SS..Hα-helixtrans-67.4-38.5174.9-163.5142.5000112.2T6 M7 T8 L12 T13 S14 I46T6-L10 WeakPolarHBondContact O-CB 3.13Å; T6-L10 PolarHBondContact O-N 3.48Å; M7-L10 PolarHBondContact O-N 2.91Å; T8-L10 PolarHBondContact O-N 3.41Å; L10-L12 PolarHBondContact O-N 2.96Å; L10-T13 WeakPolarHBondContact CA-OG1 3.19Å; L10-T13 PolarHBondContact O-N 3.21Å; L10-T13 PolarHBondContact O-OG1 3.47Å; L10-S14 WeakPolarHBondContact O-CB 3.46Å; L10-S14 PolarHBondContact O-N 3.28Å; L10-S14 PolarHBondContact O-OG 2.93Å; L10-I46 HydrophobicContact CD2-CB 4.35Å; L10-I46 HydrophobicContact CD2-CD1 3.35Å; L10-I46 HydrophobicContact CD2-CG1 3.99Å; L10-I46 HydrophobicContact CD2-CG2 3.58Å
11T84.4Confident82.9Confident6 Ų651.7 Ų51.74%0.03729%0.287CS..Hα-helixtrans-59.3-44.5173.661.20000112.3M7 T8 S14 I46M7-T11 WeakPolarHBondContact O-CG2 3.32Å; M7-T11 PolarHBondContact O-N 2.88Å; T8-T11 PolarHBondContact O-N 3.37Å; T8-T11 VanDerWaalsContact O-N 3.16Å; T8-T11 PolarHBondContact O-OG1 3Å; T11-S14 PolarHBondContact O-OG 3.49Å; T11-S14 VanDerWaalsContact O-OG 3.05Å; T11-I46 HydrophobicContact CG2-CB 4.22Å; T11-I46 HydrophobicContact CG2-CG2 3.62Å
12L83.9Confident83.9Confident30 Ų3046.5 Ų46.516%0.15726%0.263CS..Hα-helixtrans-72.5-40.2-178.6-66.4173.9000111.9T8 T9 L10 F80 L129 T133T8-L12 PolarHBondContact O-N 2.98Å; T9-L12 PolarHBondContact O-N 3.36Å; L10-L12 PolarHBondContact O-N 2.96Å; L12-F80 HydrophobicContact CD1-CD1 3.83Å; L12-F80 HydrophobicContact CD1-CD2 4.36Å; L12-F80 HydrophobicContact CD1-CE1 3.73Å; L12-F80 HydrophobicContact CD1-CE2 4.29Å; L12-F80 HydrophobicContact CD1-CG 4.13Å; L12-F80 HydrophobicContact CD1-CZ 3.98Å; L12-L129 HydrophobicContact CD2-CB 4.13Å; L12-T133 HydrophobicContact CD2-CG2 4.5Å
13T87.2Confident84.3Confident77 Ų7747.2 Ų47.247%0.47226%0.262SS..Hα-helixtrans-78-28.4-176.454.20000113.3T9 L10 L15 I16 P17T9-T13 WeakPolarHBondContact O-CB 3.27Å; T9-T13 VanDerWaalsContact O-CG2 3.25Å; T9-T13 WeakPolarHBondContact O-CG2 3.34Å; T9-T13 PolarHBondContact O-N 2.9Å; T9-T13 PolarHBondContact O-OG1 3.49Å; L10-T13 WeakPolarHBondContact CA-OG1 3.19Å; L10-T13 PolarHBondContact O-N 3.21Å; L10-T13 PolarHBondContact O-OG1 3.47Å; T13-L15 PolarHBondContact O-N 3.19Å; T13-L15 VanDerWaalsContact O-N 3.17Å; T13-I16 WeakPolarHBondContact O-CB 3.38Å; T13-I16 PolarHBondContact O-N 2.81Å; T13-I16 VanDerWaalsContact O-N 3.1Å; T13-P17 VanDerWaalsContact O-CD 3.29Å; T13-P17 WeakPolarHBondContact O-CD 3.38Å
14S90.1Very high84.4Confident22 Ų2247.1 Ų47.115%0.15427%0.267CS..THydrogen-bonded Turntrans-65.9-16.1-178.9500000114.5L10 T11 P17 I39 T43L10-S14 WeakPolarHBondContact O-CB 3.46Å; L10-S14 PolarHBondContact O-N 3.28Å; L10-S14 PolarHBondContact O-OG 2.93Å; T11-S14 PolarHBondContact O-OG 3.49Å; T11-S14 VanDerWaalsContact O-OG 3.05Å; S14-P17 VanDerWaalsContact O-CD 3.31Å; S14-P17 WeakPolarHBondContact O-CD 3.48Å; S14-I39 WeakPolarHBondContact O-CG2 3.37Å; S14-T43 WeakPolarHBondContact OG-CG2 3.23Å
15L91Very high84.1Confident0 Ų050.8 Ų50.80%029%0.287CS..THydrogen-bonded Turntrans-84.6-13174.4-64171.6000114.1T13 P18 I39 V40 T43 L94 L122 L125 I126 L129T13-L15 PolarHBondContact O-N 3.19Å; T13-L15 VanDerWaalsContact O-N 3.17Å; L15-P18 WeakPolarHBondContact O-CD 3.32Å; L15-I39 HydrophobicContact CD2-CG2 4.43Å; L15-V40 HydrophobicContact CD2-CG2 4.24Å; L15-T43 HydrophobicContact CD2-CG2 3.61Å; L15-T43 HydrophobicContact CG-CG2 3.94Å; L15-L94 HydrophobicContact CD1-CD2 4.36Å; L15-L122 HydrophobicContact CB-CD1 4.34Å; L15-L122 HydrophobicContact CD2-CD1 3.9Å; L15-L125 HydrophobicContact CD1-CD2 4.17Å; L15-L125 HydrophobicContact CD1-CG 4.34Å; L15-L125 HydrophobicContact CD2-CD2 4.13Å; L15-I126 HydrophobicContact CB-CD1 3.91Å; L15-I126 HydrophobicContact CB-CG1 3.8Å; L15-I126 HydrophobicContact CD1-CG1 4.16Å; L15-L129 HydrophobicContact CD1-CD1 3.26Å
16I90.1Very high83.2Confident76 Ų7654.1 Ų54.139%0.3931%0.31SS..SBendtrans-75.8-39.9-178.1-57.9173.8000114T13 P18 I19 L20T13-I16 WeakPolarHBondContact O-CB 3.38Å; T13-I16 PolarHBondContact O-N 2.81Å; T13-I16 VanDerWaalsContact O-N 3.1Å; I16-P18 VanDerWaalsContact C-CD 3.49Å; I16-I19 WeakPolarHBondContact O-CB 3.44Å; I16-I19 PolarHBondContact O-N 3.34Å; I16-L20 HydrophobicContact CG2-CD1 3.79Å; I16-L20 HydrophobicContact CG2-CG 3.92Å; I16-L20 PolarHBondContact O-N 3.17Å; I16-L20 VanDerWaalsContact O-N 3.11Å
17P89.1Confident82Confident51 Ų5157.9 Ų57.933%0.33133%0.327SS..Hα-helixtrans-52.7-44.9-178.4-21.728.8000114.6T13 S14 I19 L20 T21T13-P17 VanDerWaalsContact O-CD 3.29Å; T13-P17 WeakPolarHBondContact O-CD 3.38Å; S14-P17 VanDerWaalsContact O-CD 3.31Å; S14-P17 WeakPolarHBondContact O-CD 3.48Å; P17-I19 PolarHBondContact O-N 3.05Å; P17-L20 PolarHBondContact O-N 3.23Å; P17-T21 WeakPolarHBondContact O-CG2 3.3Å; P17-T21 PolarHBondContact O-N 2.92Å; P17-T21 PolarHBondContact O-OG1 2.93Å
18P87.5Confident81Confident0 Ų058.4 Ų58.40%033%0.328CS..Hα-helixtrans-61.7-26.6177.50.71.8000113.9L15 I16 T21 Y32 Y35 V36 I39 L122L15-P18 WeakPolarHBondContact O-CD 3.32Å; I16-P18 VanDerWaalsContact C-CD 3.49Å; P18-T21 WeakPolarHBondContact CA-OG1 3.48Å; P18-T21 PolarHBondContact O-OG1 2.88Å; P18-Y32 HydrophobicContact CB-CE2 4.41Å; P18-Y32 WeakPolarHBondContact O-CE2 3.46Å; P18-Y32 PolarHBondContact O-OH 3.32Å; P18-Y35 HydrophobicContact CB-CD1 4.3Å; P18-Y35 HydrophobicContact CB-CE1 3.95Å; P18-Y35 HydrophobicContact CG-CE1 4.44Å; P18-V36 HydrophobicContact CB-CG2 3.95Å; P18-I39 HydrophobicContact CB-CD1 4.42Å; P18-I39 HydrophobicContact CG-CB 4.32Å; P18-I39 HydrophobicContact CG-CD1 3.6Å; P18-I39 HydrophobicContact CG-CG2 3.99Å; P18-L122 HydrophobicContact CB-CD2 3.57Å; P18-L122 HydrophobicContact CG-CD2 3.62Å
19I88.3Confident80.1Confident37 Ų3766.4 Ų66.419%0.1936%0.362CS..Hα-helixtrans-75.4-48.9173.4-64.2170.2000110.1I16 P17 T21 T22 L23 L122 I123 I126I16-I19 WeakPolarHBondContact O-CB 3.44Å; I16-I19 PolarHBondContact O-N 3.34Å; P17-I19 PolarHBondContact O-N 3.05Å; I19-T21 PolarHBondContact O-N 3.05Å; I19-T22 PolarHBondContact O-N 3.39Å; I19-T22 PolarHBondContact O-OG1 3.04Å; I19-L23 PolarHBondContact O-N 3.45Å; I19-L122 HydrophobicContact CD1-CD2 4.28Å; I19-L122 HydrophobicContact CD1-CG 4.37Å; I19-L122 HydrophobicContact CG1-CD2 3.74Å; I19-L122 HydrophobicContact CG1-CG 4.32Å; I19-I123 HydrophobicContact CD1-CG1 3.69Å; I19-I123 HydrophobicContact CG1-CG1 4.24Å; I19-I126 HydrophobicContact CD1-CD1 3.26Å; I19-I126 HydrophobicContact CG1-CD1 4.48Å
20L86.8Confident79.1Confident93 Ų9372.1 Ų72.149%0.48739%0.391SS..Hα-helixtrans-57.1-37.6177.7-67.5174.6000111.7I16 P17 T22 L23 V24I16-L20 HydrophobicContact CG2-CD1 3.79Å; I16-L20 HydrophobicContact CG2-CG 3.92Å; I16-L20 PolarHBondContact O-N 3.17Å; I16-L20 VanDerWaalsContact O-N 3.11Å; P17-L20 PolarHBondContact O-N 3.23Å; L20-T22 PolarHBondContact O-N 3.18Å; L20-L23 HydrophobicContact CD2-CD1 4.29Å; L20-L23 WeakPolarHBondContact O-CB 3.25Å; L20-L23 PolarHBondContact O-N 3.36Å; L20-L23 VanDerWaalsContact O-N 3.09Å; L20-V24 PolarHBondContact O-N 3.19Å
21T83.5Confident78.9Confident31 Ų3172 Ų7219%0.1940%0.397CS..Hα-helixtrans-60.8-32.6177.862.80000112.7P17 P18 I19 N25 K28 Y35P17-T21 WeakPolarHBondContact O-CG2 3.3Å; P17-T21 PolarHBondContact O-N 2.92Å; P17-T21 PolarHBondContact O-OG1 2.93Å; P18-T21 WeakPolarHBondContact CA-OG1 3.48Å; P18-T21 PolarHBondContact O-OG1 2.88Å; I19-T21 PolarHBondContact O-N 3.05Å; T21-N25 PolarHBondContact O-N 3.34Å; T21-K28 VanDerWaalsContact CB-NZ 3.26Å; T21-K28 WeakPolarHBondContact O-CD 3.5Å; T21-K28 WeakPolarHBondContact O-CE 3.32Å; T21-K28 PolarHBondContact O-NZ 3.46Å; T21-Y35 HydrophobicContact CG2-CE1 4.18Å
22T81.6Confident79Confident27 Ų2772.1 Ų72.117%0.16640%0.396CS..Hα-helixtrans-74-26.9176.6650000113.2I19 L20 Y32 K119I19-T22 PolarHBondContact O-N 3.39Å; I19-T22 PolarHBondContact O-OG1 3.04Å; L20-T22 PolarHBondContact O-N 3.18Å; T22-Y32 HydrophobicContact CG2-CD2 4.41Å; T22-Y32 HydrophobicContact CG2-CE1 4.22Å; T22-Y32 HydrophobicContact CG2-CE2 3.55Å; T22-Y32 VanDerWaalsContact CG2-CZ 3.43Å; T22-Y32 VanDerWaalsContact CG2-OH 3.27Å; T22-Y32 WeakPolarHBondContact CG2-OH 3.3Å; T22-K119 HydrophobicContact CG2-CD 4.21Å
23L80.6Confident79.4Confident130 Ų13070.9 Ų70.968%0.68139%0.39SS*.Hα-helixtrans-73.1-38.5175.3-64.4172.4000111.6I19 L20I19-L23 PolarHBondContact O-N 3.45Å; L20-L23 HydrophobicContact CD2-CD1 4.29Å; L20-L23 WeakPolarHBondContact O-CB 3.25Å; L20-L23 PolarHBondContact O-N 3.36Å; L20-L23 VanDerWaalsContact O-N 3.09Å
24V77.9Confident79.6Confident109 Ų10972.3 Ų72.366%0.66139%0.391SS*.Hα-helixtrans-75.5-46.2-175.1177.60000112.4L20L20-V24 PolarHBondContact O-N 3.19Å
25N71.3Confident79.7Confident87 Ų8775.5 Ų75.547%0.46540%0.401SS..  trans-125.6106.8167.6-50-24.8000109.1T21 N27 K28T21-N25 PolarHBondContact O-N 3.34Å; N25-N27 PolarHBondContact O-N 3.12Å; N25-K28 HydrophobicContact CB-CD 4.37Å; N25-K28 VanDerWaalsContact CB-CE 3.46Å; N25-K28 HydrophobicContact CB-CG 4.03Å; N25-K28 WeakPolarHBondContact O-CG 3.33Å
26P60.5Low79.8Confident112 Ų11275.5 Ų75.573%0.72740%0.401SS*.SBendtrans-66.1-27.117825.5-32.9000111.9K28P26-K28 PolarHBondContact O-N 2.86Å
27N56.5Low80Confident152 Ų15274 Ų7481%0.81339%0.391SS*.SBendtrans-91.587.1172.4-68.4-8.1000109.5N25N25-N27 PolarHBondContact O-N 3.12Å
28K60.2Low80.2Confident64 Ų6474.6 Ų74.628%0.27840%0.397SS..  trans-110.3133.4172.3-82.7-179.8-174.5-172.40113T21 N25 P26 N115T21-K28 VanDerWaalsContact CB-NZ 3.26Å; T21-K28 WeakPolarHBondContact O-CD 3.5Å; T21-K28 WeakPolarHBondContact O-CE 3.32Å; T21-K28 PolarHBondContact O-NZ 3.46Å; N25-K28 HydrophobicContact CB-CD 4.37Å; N25-K28 VanDerWaalsContact CB-CE 3.46Å; N25-K28 HydrophobicContact CB-CG 4.03Å; N25-K28 WeakPolarHBondContact O-CG 3.33Å; P26-K28 PolarHBondContact O-N 2.86Å; K28-N115 PolarHBondContact O-ND2 2.97Å
29K61.4Low80.6Confident173 Ų17375.5 Ų75.575%0.75240%0.401SS*.  trans-42.3160-179.5-62.2168.4177.5179.10113.5S31 Y32K29-S31 PolarHBondContact O-N 2.97Å; K29-Y32 PolarHBondContact O-N 3.26Å
30N62.9Low80.9Confident161 Ų16173.7 Ų73.786%0.86139%0.392SS*.THydrogen-bonded Turntrans-47.2-14.2176.5-65.54.2000115.7
31S81.7Confident81.3Confident74 Ų7470.3 Ų70.352%0.51738%0.377SS..THydrogen-bonded Turntrans-89.9-3.1-177.659.90000115.9K29 H34 Y35K29-S31 PolarHBondContact O-N 2.97Å; S31-H34 PolarHBondContact O-N 3.4Å; S31-Y35 PolarHBondContact O-N 3.47Å
32Y88.1Confident81.9Confident8 Ų871.2 Ų71.23%0.03139%0.385CS..Hα-helixtrans-58.8-44.6-179.9177.9-99.6000114.1P18 T22 K29 H34 Y35 V36 N115 F118P18-Y32 HydrophobicContact CB-CE2 4.41Å; P18-Y32 WeakPolarHBondContact O-CE2 3.46Å; P18-Y32 PolarHBondContact O-OH 3.32Å; T22-Y32 HydrophobicContact CG2-CD2 4.41Å; T22-Y32 HydrophobicContact CG2-CE1 4.22Å; T22-Y32 HydrophobicContact CG2-CE2 3.55Å; T22-Y32 VanDerWaalsContact CG2-CZ 3.43Å; T22-Y32 VanDerWaalsContact CG2-OH 3.27Å; T22-Y32 WeakPolarHBondContact CG2-OH 3.3Å; K29-Y32 PolarHBondContact O-N 3.26Å; Y32-H34 VanDerWaalsContact C-N 3.31Å; Y32-H34 PolarHBondContact O-N 3.38Å; Y32-Y35 HydrophobicContact CD2-CD1 4.4Å; Y32-Y35 WeakPolarHBondContact O-CB 3.42Å; Y32-Y35 PolarHBondContact O-N 3.44Å; Y32-Y35 VanDerWaalsContact O-N 3.1Å; Y32-V36 HydrophobicContact CD1-CG2 4.06Å; Y32-V36 HydrophobicContact CD2-CG2 4.33Å; Y32-V36 HydrophobicContact CE1-CG2 3.54Å; Y32-V36 HydrophobicContact CE2-CG2 3.84Å; Y32-V36 HydrophobicContact CG-CG2 4.44Å; Y32-V36 VanDerWaalsContact CZ-CG2 3.42Å; Y32-V36 WeakPolarHBondContact O-CG2 3.33Å; Y32-V36 PolarHBondContact O-N 3.46Å; Y32-N115 HydrophobicContact CD1-CB 3.96Å; Y32-N115 WeakPolarHBondContact CE1-O 3.38Å; Y32-F118 HydrophobicContact CE1-CB 4.16Å
33P90.5Very high82.5Confident5 Ų570 Ų703%0.03238%0.377CS..Hα-helixtrans-61.5-39.5179.8-27.540.4000112.5V36 K37 L105 I114 N115 F118P33-V36 PolarHBondContact O-N 3.15Å; P33-K37 PolarHBondContact O-N 3.32Å; P33-L105 HydrophobicContact CB-CD2 3.25Å; P33-L105 HydrophobicContact CG-CD2 4.43Å; P33-I114 HydrophobicContact CG-CD1 4.37Å; P33-I114 HydrophobicContact CG-CG1 4.26Å; P33-I114 HydrophobicContact CG-CG2 4.2Å; P33-N115 VanDerWaalsContact CD-OD1 3.25Å; P33-N115 WeakPolarHBondContact CD-OD1 3.36Å; P33-N115 WeakPolarHBondContact CG-OD1 3.35Å; P33-F118 HydrophobicContact CB-CD1 4.13Å; P33-F118 HydrophobicContact CB-CD2 3.91Å; P33-F118 HydrophobicContact CB-CE1 4.04Å; P33-F118 HydrophobicContact CB-CE2 3.82Å; P33-F118 HydrophobicContact CB-CG 4.07Å; P33-F118 HydrophobicContact CB-CZ 3.88Å; P33-F118 HydrophobicContact CG-CD2 4.25Å; P33-F118 HydrophobicContact CG-CE2 4.44Å
34H92.1Very high83.2Confident106 Ų10665.3 Ų65.349%0.49135%0.352SS..Hα-helixtrans-65.5-38.2174.4-67.5-61.3000112.6S31 Y32 K37 S38S31-H34 PolarHBondContact O-N 3.4Å; Y32-H34 VanDerWaalsContact C-N 3.31Å; Y32-H34 PolarHBondContact O-N 3.38Å; H34-K37 PolarHBondContact O-N 2.86Å; H34-S38 PolarHBondContact O-N 3.33Å; H34-S38 PolarHBondContact O-OG 2.97Å
35Y91.6Very high84Confident90 Ų9065.7 Ų65.735%0.35335%0.349SS..Hα-helixtrans-62.4-48.3175.1173.3-114.5000111.5P18 T21 S31 Y32 K37 S38 I39P18-Y35 HydrophobicContact CB-CD1 4.3Å; P18-Y35 HydrophobicContact CB-CE1 3.95Å; P18-Y35 HydrophobicContact CG-CE1 4.44Å; T21-Y35 HydrophobicContact CG2-CE1 4.18Å; S31-Y35 PolarHBondContact O-N 3.47Å; Y32-Y35 HydrophobicContact CD2-CD1 4.4Å; Y32-Y35 WeakPolarHBondContact O-CB 3.42Å; Y32-Y35 PolarHBondContact O-N 3.44Å; Y32-Y35 VanDerWaalsContact O-N 3.1Å; Y35-K37 VanDerWaalsContact C-N 3.33Å; Y35-K37 PolarHBondContact O-N 3.22Å; Y35-S38 PolarHBondContact O-N 3.42Å; Y35-S38 PolarHBondContact O-OG 3.33Å; Y35-I39 HydrophobicContact CD1-CD1 4.18Å; Y35-I39 HydrophobicContact CD2-CD1 4Å; Y35-I39 HydrophobicContact CD2-CG1 4.48Å; Y35-I39 HydrophobicContact CE1-CD1 3.6Å; Y35-I39 HydrophobicContact CE2-CD1 3.38Å; Y35-I39 HydrophobicContact CE2-CG1 4.15Å; Y35-I39 HydrophobicContact CG-CD1 4.37Å; Y35-I39 PolarHBondContact O-N 2.74Å; Y35-I39 WeakPolarHBondContact OH-CD1 3.28Å
36V93.1Very high85.1Confident0 Ų063.5 Ų63.50%034%0.336CS..Hα-helixtrans-58.1-46.7175.4177.60000110.7P18 Y32 P33 S38 I39 V40 M101 F118 L122P18-V36 HydrophobicContact CB-CG2 3.95Å; Y32-V36 HydrophobicContact CD1-CG2 4.06Å; Y32-V36 HydrophobicContact CD2-CG2 4.33Å; Y32-V36 HydrophobicContact CE1-CG2 3.54Å; Y32-V36 HydrophobicContact CE2-CG2 3.84Å; Y32-V36 HydrophobicContact CG-CG2 4.44Å; Y32-V36 VanDerWaalsContact CZ-CG2 3.42Å; Y32-V36 WeakPolarHBondContact O-CG2 3.33Å; Y32-V36 PolarHBondContact O-N 3.46Å; P33-V36 PolarHBondContact O-N 3.15Å; V36-S38 PolarHBondContact O-N 3.44Å; V36-I39 PolarHBondContact O-N 3.29Å; V36-V40 HydrophobicContact CG1-CG2 4.47Å; V36-V40 WeakPolarHBondContact O-CG2 3.2Å; V36-V40 PolarHBondContact O-N 3.05Å; V36-M101 HydrophobicContact CG1-CE 3.69Å; V36-M101 HydrophobicContact CG1-SD 4.46Å; V36-F118 HydrophobicContact CB-CD1 4.2Å; V36-F118 HydrophobicContact CG1-CD1 4.21Å; V36-L122 HydrophobicContact CG1-CB 4.44Å; V36-L122 HydrophobicContact CG1-CD1 4.45Å; V36-L122 HydrophobicContact CG1-CD2 4.33Å
37K94.7Very high86.7Confident44 Ų4458.2 Ų58.219%0.19130%0.302CS..Hα-helixtrans-55.5-49.2176.3-172.7-176.578.51670112.1P33 H34 Y35 I39 V40 A41 E102 L105P33-K37 PolarHBondContact O-N 3.32Å; H34-K37 PolarHBondContact O-N 2.86Å; Y35-K37 VanDerWaalsContact C-N 3.33Å; Y35-K37 PolarHBondContact O-N 3.22Å; K37-I39 VanDerWaalsContact C-N 3.26Å; K37-I39 PolarHBondContact O-N 3.41Å; K37-V40 PolarHBondContact O-N 3.43Å; K37-A41 PolarHBondContact O-N 3.08Å; K37-E102 HydrophobicContact CD-CB 4.09Å; K37-E102 IonicContact NZ-OE1 2.75Å; K37-E102 PolarHBondContact NZ-OE1 3.31Å; K37-L105 HydrophobicContact CD-CD1 3.9Å
38S94.3Very high88.5Confident63 Ų6354.2 Ų54.244%0.44128%0.281SS..Hα-helixtrans-62.6-33.7-179.562.70000113.2H34 Y35 V36 S42H34-S38 PolarHBondContact O-N 3.33Å; H34-S38 PolarHBondContact O-OG 2.97Å; Y35-S38 PolarHBondContact O-N 3.42Å; Y35-S38 PolarHBondContact O-OG 3.33Å; V36-S38 PolarHBondContact O-N 3.44Å; S38-S42 PolarHBondContact O-N 3.44Å; S38-S42 PolarHBondContact O-OG 3Å
39I94.6Very high89.9Confident19 Ų1954.9 Ų54.910%0.09728%0.283CS..Hα-helixtrans-70.8-46.7176.4-74.6176.8000110.3S14 L15 P18 Y35 V36 K37 A41 S42 T43S14-I39 WeakPolarHBondContact O-CG2 3.37Å; L15-I39 HydrophobicContact CD2-CG2 4.43Å; P18-I39 HydrophobicContact CB-CD1 4.42Å; P18-I39 HydrophobicContact CG-CB 4.32Å; P18-I39 HydrophobicContact CG-CD1 3.6Å; P18-I39 HydrophobicContact CG-CG2 3.99Å; Y35-I39 HydrophobicContact CD1-CD1 4.18Å; Y35-I39 HydrophobicContact CD2-CD1 4Å; Y35-I39 HydrophobicContact CD2-CG1 4.48Å; Y35-I39 HydrophobicContact CE1-CD1 3.6Å; Y35-I39 HydrophobicContact CE2-CD1 3.38Å; Y35-I39 HydrophobicContact CE2-CG1 4.15Å; Y35-I39 HydrophobicContact CG-CD1 4.37Å; Y35-I39 PolarHBondContact O-N 2.74Å; Y35-I39 WeakPolarHBondContact OH-CD1 3.28Å; V36-I39 PolarHBondContact O-N 3.29Å; K37-I39 VanDerWaalsContact C-N 3.26Å; K37-I39 PolarHBondContact O-N 3.41Å; I39-A41 VanDerWaalsContact C-N 3.27Å; I39-A41 PolarHBondContact O-N 3.04Å; I39-S42 PolarHBondContact O-N 3.35Å; I39-S42 VanDerWaalsContact O-N 3.15Å; I39-S42 PolarHBondContact O-OG 2.81Å; I39-T43 HydrophobicContact CG2-CG2 4Å; I39-T43 WeakPolarHBondContact O-CG2 3.3Å; I39-T43 PolarHBondContact O-N 3.49Å; I39-T43 PolarHBondContact O-OG1 3.22Å
40V95.2Very high91.3Very high0 Ų046.8 Ų46.80%025%0.249CC..Hα-helixtrans-58.8-42.8176.7179.40000110.4L15 V36 K37 S42 T43 F44 L94 W98 L122 L125L15-V40 HydrophobicContact CD2-CG2 4.24Å; V36-V40 HydrophobicContact CG1-CG2 4.47Å; V36-V40 WeakPolarHBondContact O-CG2 3.2Å; V36-V40 PolarHBondContact O-N 3.05Å; K37-V40 PolarHBondContact O-N 3.43Å; V40-S42 PolarHBondContact O-N 2.93Å; V40-T43 WeakPolarHBondContact CA-OG1 3.3Å; V40-T43 PolarHBondContact O-N 3.43Å; V40-T43 PolarHBondContact O-OG1 3.35Å; V40-F44 PolarHBondContact O-N 3.37Å; V40-L94 HydrophobicContact CG1-CD2 4.4Å; V40-W98 HydrophobicContact CG1-CB 4.05Å; V40-L122 HydrophobicContact CG2-CD1 4.35Å; V40-L125 HydrophobicContact CG1-CD2 4.43Å; V40-L125 HydrophobicContact CG2-CD2 4.28Å
41A96Very high92.6Very high21 Ų2139.9 Ų39.917%0.17421%0.213CC..Hα-helixtrans-61.8-42.1175.800000113.2K37 I39 F44 I45 W98K37-A41 PolarHBondContact O-N 3.08Å; I39-A41 VanDerWaalsContact C-N 3.27Å; I39-A41 PolarHBondContact O-N 3.04Å; A41-F44 WeakPolarHBondContact O-CB 3.26Å; A41-F44 PolarHBondContact O-N 2.87Å; A41-I45 WeakPolarHBondContact O-CG1 3.37Å; A41-I45 PolarHBondContact O-N 3.01Å; A41-W98 HydrophobicContact CB-CD2 4.3Å; A41-W98 HydrophobicContact CB-CG 4.29Å
42S94.4Very high93.1Very high51 Ų5140 Ų4036%0.35721%0.21SC..Hα-helixtrans-68.7-39.3175.968.30000111.8S38 I39 V40 F44 I45 I46S38-S42 PolarHBondContact O-N 3.44Å; S38-S42 PolarHBondContact O-OG 3Å; I39-S42 PolarHBondContact O-N 3.35Å; I39-S42 VanDerWaalsContact O-N 3.15Å; I39-S42 PolarHBondContact O-OG 2.81Å; V40-S42 PolarHBondContact O-N 2.93Å; S42-F44 VanDerWaalsContact C-N 3.29Å; S42-F44 PolarHBondContact O-N 3.09Å; S42-I45 PolarHBondContact O-N 3.04Å; S42-I46 WeakPolarHBondContact O-CD1 3.23Å; S42-I46 VanDerWaalsContact O-CG1 3.28Å; S42-I46 WeakPolarHBondContact O-CG1 3.28Å; S42-I46 PolarHBondContact O-N 3.31Å
43T95.1Very high93.2Very high0 Ų042.5 Ų42.50%022%0.223CC..Hα-helixtrans-61.4-37.7175.567.80000111.9S14 L15 I39 V40 I46 S47S14-T43 WeakPolarHBondContact OG-CG2 3.23Å; L15-T43 HydrophobicContact CD2-CG2 3.61Å; L15-T43 HydrophobicContact CG-CG2 3.94Å; I39-T43 HydrophobicContact CG2-CG2 4Å; I39-T43 WeakPolarHBondContact O-CG2 3.3Å; I39-T43 PolarHBondContact O-N 3.49Å; I39-T43 PolarHBondContact O-OG1 3.22Å; V40-T43 WeakPolarHBondContact CA-OG1 3.3Å; V40-T43 PolarHBondContact O-N 3.43Å; V40-T43 PolarHBondContact O-OG1 3.35Å; T43-I46 PolarHBondContact O-N 2.83Å; T43-S47 WeakPolarHBondContact O-CB 3.19Å; T43-S47 PolarHBondContact O-N 3.11Å
44F95.7Very high93.2Very high33 Ų3342.8 Ų42.815%0.14522%0.224CC..Hα-helixtrans-59.9-50.6173.6167.7-108.6000110.9V40 A41 S42 I46 S47 L48 P91 L94 F95V40-F44 PolarHBondContact O-N 3.37Å; A41-F44 WeakPolarHBondContact O-CB 3.26Å; A41-F44 PolarHBondContact O-N 2.87Å; S42-F44 VanDerWaalsContact C-N 3.29Å; S42-F44 PolarHBondContact O-N 3.09Å; F44-I46 VanDerWaalsContact C-N 3.3Å; F44-I46 PolarHBondContact O-N 3.16Å; F44-S47 WeakPolarHBondContact O-CB 3.44Å; F44-S47 PolarHBondContact O-N 2.95Å; F44-S47 PolarHBondContact O-OG 3.22Å; F44-L48 HydrophobicContact CE1-CD1 3.98Å; F44-L48 HydrophobicContact CE2-CD2 4.06Å; F44-L48 HydrophobicContact CE2-CG 4.34Å; F44-L48 HydrophobicContact CZ-CD1 3.94Å; F44-L48 HydrophobicContact CZ-CD2 4.08Å; F44-L48 HydrophobicContact CZ-CG 4.23Å; F44-L48 PolarHBondContact O-N 3.01Å; F44-P91 HydrophobicContact CD2-CB 4.32Å; F44-P91 WeakPolarHBondContact CD2-O 3.49Å; F44-P91 HydrophobicContact CE2-CB 4.07Å; F44-L94 HydrophobicContact CB-CB 4Å; F44-L94 HydrophobicContact CD2-CB 4.21Å; F44-F95 HydrophobicContact CD2-CB 4.01Å; F44-F95 HydrophobicContact CE1-CD2 4.3Å; F44-F95 HydrophobicContact CE2-CB 3.75Å; F44-F95 HydrophobicContact CE2-CD2 4.22Å; F44-F95 HydrophobicContact CE2-CG 4.38Å; F44-F95 HydrophobicContact CZ-CB 4.34Å; F44-F95 AromaticContact CZ-CD2 3.96Å; F44-F95 HydrophobicContact CZ-CD2 3.96Å
45I94.8Very high93.2Very high117 Ų11743.4 Ų43.460%0.623%0.228SC*.Hα-helixtrans-59.6-42.9178.7-64.1165.9000111A41 S42 S47 L48A41-I45 WeakPolarHBondContact O-CG1 3.37Å; A41-I45 PolarHBondContact O-N 3.01Å; S42-I45 PolarHBondContact O-N 3.04Å; I45-S47 VanDerWaalsContact C-N 3.3Å; I45-S47 PolarHBondContact O-N 3.36Å; I45-L48 PolarHBondContact O-N 3.11Å
46I93.5Very high93.2Very high40 Ų4044.2 Ų44.221%0.20525%0.246CC..Hα-helixtrans-62.5-39.3176.5-65154.9000110.6M7 L10 T11 S42 T43 F44 L48 F49 P50M7-I46 HydrophobicContact SD-CG2 4.32Å; L10-I46 HydrophobicContact CD2-CB 4.35Å; L10-I46 HydrophobicContact CD2-CD1 3.35Å; L10-I46 HydrophobicContact CD2-CG1 3.99Å; L10-I46 HydrophobicContact CD2-CG2 3.58Å; T11-I46 HydrophobicContact CG2-CB 4.22Å; T11-I46 HydrophobicContact CG2-CG2 3.62Å; S42-I46 WeakPolarHBondContact O-CD1 3.23Å; S42-I46 VanDerWaalsContact O-CG1 3.28Å; S42-I46 WeakPolarHBondContact O-CG1 3.28Å; S42-I46 PolarHBondContact O-N 3.31Å; T43-I46 PolarHBondContact O-N 2.83Å; F44-I46 VanDerWaalsContact C-N 3.3Å; F44-I46 PolarHBondContact O-N 3.16Å; I46-L48 VanDerWaalsContact C-N 3.26Å; I46-L48 PolarHBondContact O-N 3.46Å; I46-F49 PolarHBondContact O-N 2.97Å; I46-P50 WeakPolarHBondContact O-CD 3.19Å
47S94.2Very high93.1Very high1 Ų148.6 Ų48.61%0.00727%0.269CS..Hα-helixtrans-67.7-22-179.877.10000114.1T43 F44 I45 F49 P50 T51T43-S47 WeakPolarHBondContact O-CB 3.19Å; T43-S47 PolarHBondContact O-N 3.11Å; F44-S47 WeakPolarHBondContact O-CB 3.44Å; F44-S47 PolarHBondContact O-N 2.95Å; F44-S47 PolarHBondContact O-OG 3.22Å; I45-S47 VanDerWaalsContact C-N 3.3Å; I45-S47 PolarHBondContact O-N 3.36Å; S47-F49 VanDerWaalsContact C-N 3.31Å; S47-F49 PolarHBondContact O-N 3.01Å; S47-P50 WeakPolarHBondContact O-CD 3.42Å; S47-P50 WeakPolarHBondContact O-CG 3.33Å; S47-T51 WeakPolarHBondContact O-CG2 3.47Å; S47-T51 PolarHBondContact O-N 3.4Å
48L93.4Very high92.9Very high69 Ų6952.2 Ų52.236%0.36129%0.29SS..Hα-helixtrans-66.8-34.1175.4-66.9174.2000111.9F44 I45 I46 T51 T52 P91F44-L48 HydrophobicContact CE1-CD1 3.98Å; F44-L48 HydrophobicContact CE2-CD2 4.06Å; F44-L48 HydrophobicContact CE2-CG 4.34Å; F44-L48 HydrophobicContact CZ-CD1 3.94Å; F44-L48 HydrophobicContact CZ-CD2 4.08Å; F44-L48 HydrophobicContact CZ-CG 4.23Å; F44-L48 PolarHBondContact O-N 3.01Å; I45-L48 PolarHBondContact O-N 3.11Å; I46-L48 VanDerWaalsContact C-N 3.26Å; I46-L48 PolarHBondContact O-N 3.46Å; L48-T51 WeakPolarHBondContact CA-OG1 3.25Å; L48-T51 PolarHBondContact O-N 3.05Å; L48-T51 PolarHBondContact O-OG1 2.83Å; L48-T52 WeakPolarHBondContact O-CG2 3.36Å; L48-T52 PolarHBondContact O-N 2.91Å; L48-T52 PolarHBondContact O-OG1 3.17Å; L48-P91 HydrophobicContact CD2-CB 4.16Å
49F91.6Very high92.5Very high77 Ų7753.1 Ų53.134%0.33829%0.288SS..Hα-helixtrans-61.4-49.8180-171.2-90.6000114.3M3 M7 I46 S47 T51 T52 M53M3-F49 HydrophobicContact CB-CE1 4.47Å; M3-F49 HydrophobicContact SD-CE1 4.43Å; M3-F49 HydrophobicContact SD-CZ 4.38Å; M7-F49 HydrophobicContact CB-CD1 4.2Å; M7-F49 HydrophobicContact CG-CD1 3.68Å; M7-F49 HydrophobicContact CG-CE1 4.12Å; M7-F49 HydrophobicContact CG-CG 4.47Å; I46-F49 PolarHBondContact O-N 2.97Å; S47-F49 VanDerWaalsContact C-N 3.31Å; S47-F49 PolarHBondContact O-N 3.01Å; F49-T51 VanDerWaalsContact C-N 3.25Å; F49-T51 PolarHBondContact O-N 3.05Å; F49-T52 PolarHBondContact O-N 2.99Å; F49-T52 PolarHBondContact O-OG1 3.36Å; F49-M53 HydrophobicContact CD1-CG 4.17Å; F49-M53 HydrophobicContact CE1-CG 3.84Å; F49-M53 HydrophobicContact CZ-CG 4.13Å; F49-M53 HydrophobicContact CZ-SD 4.38Å; F49-M53 WeakPolarHBondContact O-CB 3.48Å; F49-M53 VanDerWaalsContact O-CG 3.3Å; F49-M53 WeakPolarHBondContact O-CG 3.39Å; F49-M53 PolarHBondContact O-N 3.03Å; F49-M53 VanDerWaalsContact O-N 3.09Å
50P89.8Confident92.2Very high4 Ų457.4 Ų57.43%0.02631%0.307CS..Hα-helixtrans-63.2-31.917423.6-31.7000112.4H4 T8 I46 S47 F54 M87H4-P50 WeakPolarHBondContact CE1-CB 2.72Å; H4-P50 PolarHBondContact CE1-O 3.35Å; H4-P50 WeakPolarHBondContact ND1-CB 3.44Å; T8-P50 HydrophobicContact CG2-CB 3.62Å; T8-P50 HydrophobicContact CG2-CG 4.05Å; I46-P50 WeakPolarHBondContact O-CD 3.19Å; S47-P50 WeakPolarHBondContact O-CD 3.42Å; S47-P50 WeakPolarHBondContact O-CG 3.33Å; P50-F54 WeakPolarHBondContact O-CB 3.26Å; P50-F54 PolarHBondContact O-N 2.95Å; P50-M87 HydrophobicContact CB-CE 4.27Å; P50-M87 HydrophobicContact CB-SD 4.27Å
51T90.9Very high91.8Very high16 Ų1658 Ų5810%0.09831%0.311CS..Hα-helixtrans-69.6-40.9176.461.30000114.2S47 L48 F49 M53 F54 M55 M87 P91S47-T51 WeakPolarHBondContact O-CG2 3.47Å; S47-T51 PolarHBondContact O-N 3.4Å; L48-T51 WeakPolarHBondContact CA-OG1 3.25Å; L48-T51 PolarHBondContact O-N 3.05Å; L48-T51 PolarHBondContact O-OG1 2.83Å; F49-T51 VanDerWaalsContact C-N 3.25Å; F49-T51 PolarHBondContact O-N 3.05Å; T51-M53 VanDerWaalsContact C-N 3.34Å; T51-F54 WeakPolarHBondContact O-CB 3.26Å; T51-F54 PolarHBondContact O-N 3.38Å; T51-M55 WeakPolarHBondContact O-CG 3.47Å; T51-M55 PolarHBondContact O-N 3.15Å; T51-M87 HydrophobicContact CG2-CB 4.34Å; T51-M87 WeakPolarHBondContact CG2-O 3.26Å; T51-P91 HydrophobicContact CG2-CG 3.37Å
52T91.7Very high91.4Very high77 Ų7760.6 Ų60.647%0.47232%0.321SS..Hα-helixtrans-68-39177.154.50000110.9L48 F49 F54 M55 C56L48-T52 WeakPolarHBondContact O-CG2 3.36Å; L48-T52 PolarHBondContact O-N 2.91Å; L48-T52 PolarHBondContact O-OG1 3.17Å; F49-T52 PolarHBondContact O-N 2.99Å; F49-T52 PolarHBondContact O-OG1 3.36Å; T52-F54 VanDerWaalsContact C-N 3.33Å; T52-F54 PolarHBondContact O-N 3.48Å; T52-M55 PolarHBondContact O-N 3.39Å; T52-C56 PolarHBondContact O-N 3.38Å; T52-C56 VanDerWaalsContact O-N 3.08Å; T52-C56 PolarHBondContact O-SG 2.82Å
53M90.3Very high91.1Very high60 Ų6058.8 Ų58.830%0.29631%0.307SS..Hα-helixtrans-61.7-41.7172.9-72.9-72.9-77.900112F49 T51 C56 L57F49-M53 HydrophobicContact CD1-CG 4.17Å; F49-M53 HydrophobicContact CE1-CG 3.84Å; F49-M53 HydrophobicContact CZ-CG 4.13Å; F49-M53 HydrophobicContact CZ-SD 4.38Å; F49-M53 WeakPolarHBondContact O-CB 3.48Å; F49-M53 VanDerWaalsContact O-CG 3.3Å; F49-M53 WeakPolarHBondContact O-CG 3.39Å; F49-M53 PolarHBondContact O-N 3.03Å; F49-M53 VanDerWaalsContact O-N 3.09Å; T51-M53 VanDerWaalsContact C-N 3.34Å; M53-C56 PolarHBondContact O-N 2.98Å; M53-L57 HydrophobicContact CE-CD1 4.1Å; M53-L57 WeakPolarHBondContact O-CB 3.25Å; M53-L57 PolarHBondContact O-N 3.5Å; M53-L57 VanDerWaalsContact O-N 3.16Å
54F90.3Very high90.6Very high11 Ų1162.9 Ų62.95%0.04834%0.336CS..Hα-helixtrans-60.7-49.8174.6178.8-88.8000111P50 T51 T52 C56 L57 D58 E60 Y84 M87P50-F54 WeakPolarHBondContact O-CB 3.26Å; P50-F54 PolarHBondContact O-N 2.95Å; T51-F54 WeakPolarHBondContact O-CB 3.26Å; T51-F54 PolarHBondContact O-N 3.38Å; T52-F54 VanDerWaalsContact C-N 3.33Å; T52-F54 PolarHBondContact O-N 3.48Å; F54-C56 VanDerWaalsContact C-N 3.25Å; F54-C56 PolarHBondContact O-N 3.37Å; F54-L57 PolarHBondContact O-N 2.87Å; F54-D58 WeakPolarHBondContact O-CA 3.46Å; F54-D58 PolarHBondContact O-N 3.05Å; F54-E60 HydrophobicContact CE2-CG 4.11Å; F54-Y84 AromaticContact CE1-CD2 3.79Å; F54-Y84 HydrophobicContact CE1-CD2 3.79Å; F54-Y84 HydrophobicContact CE1-CG 4.49Å; F54-Y84 HydrophobicContact CZ-CD2 4.29Å; F54-M87 HydrophobicContact CB-CB 4.48Å; F54-M87 HydrophobicContact CB-CE 4.47Å; F54-M87 HydrophobicContact CB-CG 4.24Å; F54-M87 HydrophobicContact CD1-CB 4.48Å; F54-M87 HydrophobicContact CD2-CG 4.07Å; F54-M87 HydrophobicContact CG-CB 4.26Å; F54-M87 HydrophobicContact CG-CG 4.06Å
55M91.4Very high89.9Confident118 Ų11866.1 Ų66.158%0.58136%0.355SS*.Hα-helixtrans-61.6-28.3179.5-72-66.9-120.300114.5T51 T52 M88T51-M55 WeakPolarHBondContact O-CG 3.47Å; T51-M55 PolarHBondContact O-N 3.15Å; T52-M55 PolarHBondContact O-N 3.39Å; M55-M88 HydrophobicContact CE-CE 3.25Å; M55-M88 HydrophobicContact CG-CE 3.79Å; M55-M88 HydrophobicContact SD-CE 3.16Å; M55-M88 WeakPolarHBondContact SD-CE 3.27Å
56C92.5Very high89.5Confident107 Ų10767.8 Ų67.872%0.72335%0.354SS*.Hα-helixtrans-84.9-28.7179.6-70.60000113.5T52 M53 F54T52-C56 PolarHBondContact O-N 3.38Å; T52-C56 VanDerWaalsContact O-N 3.08Å; T52-C56 PolarHBondContact O-SG 2.82Å; M53-C56 PolarHBondContact O-N 2.98Å; F54-C56 VanDerWaalsContact C-N 3.25Å; F54-C56 PolarHBondContact O-N 3.37Å
57L90.6Very high89.3Confident92 Ų9270.1 Ų70.148%0.48236%0.363SS..Hα-helixtrans-118.9-14.1-168.2-63.7172.6000113.8M53 F54 Q59M53-L57 HydrophobicContact CE-CD1 4.1Å; M53-L57 WeakPolarHBondContact O-CB 3.25Å; M53-L57 PolarHBondContact O-N 3.5Å; M53-L57 VanDerWaalsContact O-N 3.16Å; F54-L57 PolarHBondContact O-N 2.87Å; L57-Q59 HydrophobicContact CB-CB 4.46Å; L57-Q59 HydrophobicContact CB-CG 4.11Å; L57-Q59 PolarHBondContact O-N 3.26Å; L57-Q59 VanDerWaalsContact O-N 3.1Å
58D90.2Very high89.1Confident121 Ų12176.1 Ų76.165%0.64739%0.386SS*.  trans47.934.3-174-66.5-30.4000113.6F54F54-D58 WeakPolarHBondContact O-CA 3.46Å; F54-D58 PolarHBondContact O-N 3.05Å
59Q86.1Confident89Confident82 Ų8274.5 Ų74.538%0.38338%0.383SS..  trans-94.2111.4-179.5-73.8-1780.600111.3L57L57-Q59 HydrophobicContact CB-CB 4.46Å; L57-Q59 HydrophobicContact CB-CG 4.11Å; L57-Q59 PolarHBondContact O-N 3.26Å; L57-Q59 VanDerWaalsContact O-N 3.1Å
60E87.9Confident88.9Confident108 Ų10875 Ų7551%0.50539%0.393SS..  trans-77.1138.8166.4-58.9-167.6166.500110.8F54 L82 D83F54-E60 HydrophobicContact CE2-CG 4.11Å; E60-L82 WeakPolarHBondContact CA-O 3.49Å; E60-D83 HydrophobicContact CG-CB 4.34Å
61V86.5Confident88.8Confident14 Ų1478.4 Ų78.49%0.08541%0.413CS..EExtended strand (participates in β ladder)trans-128.2135.6179.5179.50000110.7M1 T5 I63 L82M1-V61 HydrophobicContact SD-CG2 4.19Å; T5-V61 HydrophobicContact CG2-CG1 3.92Å; V61-I63 HydrophobicContact CG1-CG1 3.91Å; V61-L82 PolarHBondContact N-O 2.92Å; V61-L82 VanDerWaalsContact N-O 3.11Å; V61-L82 WeakPolarHBondContact O-CA 3.34Å; V61-L82 VanDerWaalsContact O-CB 3.28Å; V61-L82 WeakPolarHBondContact O-CB 3.5Å; V61-L82 PolarHBondContact O-N 3.23Å
62I88.6Confident88.7Confident75 Ų7587.2 Ų87.239%0.38545%0.453SS..EExtended strand (participates in β ladder)trans-110.7126.9171.7-53.4168.7000107.6F80 Q199I62-F80 CarbonylContact C-O 3.41Å; I62-F80 WeakPolarHBondContact CA-O 3.48Å; I62-Q199 VanDerWaalsContact CD1-NE2 3.25Å; I62-Q199 VanDerWaalsContact CD1-OE1 3.24Å
63I88.4Confident88.4Confident12 Ų1288.1 Ų88.16%0.06246%0.459CS..EExtended strand (participates in β ladder)trans-114.4103.8-178-54.8178000108.5T5 T8 V61 N65 S79 F80 L82T5-I63 HydrophobicContact CG2-CD1 3.77Å; T5-I63 HydrophobicContact CG2-CG1 3.91Å; T8-I63 WeakPolarHBondContact OG1-CD1 3.31Å; V61-I63 HydrophobicContact CG1-CG1 3.91Å; I63-N65 VanDerWaalsContact CG2-CG 3.41Å; I63-N65 WeakPolarHBondContact CG2-ND2 3.41Å; I63-N65 WeakPolarHBondContact CG2-OD1 3.48Å; I63-S79 CarbonylContact O-C 3.58Å; I63-S79 VanDerWaalsContact O-CA 3.3Å; I63-S79 WeakPolarHBondContact O-CA 3.48Å; I63-F80 HydrophobicContact CB-CB 4.42Å; I63-F80 PolarHBondContact N-O 3.32Å; I63-F80 PolarHBondContact O-N 3.46Å; I63-L82 HydrophobicContact CD1-CD1 3.55Å; I63-L82 HydrophobicContact CG1-CD1 4.18Å
64S84.4Confident88.1Confident87 Ų8786.3 Ų86.361%0.60845%0.451SS*.EExtended strand (participates in β ladder)trans-96.791.8171.858.20000110
65N80.5Confident87.9Confident101 Ų10192.6 Ų92.654%0.5448%0.48SS..EExtended strand (participates in β ladder)trans-88.4-39.1-171.3-81.2-16.6000113.7I63 L78I63-N65 VanDerWaalsContact CG2-CG 3.41Å; I63-N65 WeakPolarHBondContact CG2-ND2 3.41Å; I63-N65 WeakPolarHBondContact CG2-OD1 3.48Å; N65-L78 PolarHBondContact N-O 3.41Å
66W86.9Confident87.8Confident151 Ų15187.9 Ų87.957%0.57246%0.458SS*.EExtended strand (participates in β ladder)trans-133.6115.5-171.5-169.345.2000110.9W68 S77 L78W66-W68 AromaticContact CH2-CD1 3.85Å; W66-W68 AromaticContact CZ3-CD1 3.74Å; W66-W68 HydrophobicContact CZ3-CG 4.47Å; W66-W68 PolarHBondContact O-N 3.41Å; W66-S77 CarbonylContact O-C 3.49Å; W66-S77 VanDerWaalsContact O-CA 3.24Å; W66-S77 WeakPolarHBondContact O-CA 3.36Å; W66-S77 WeakPolarHBondContact O-CB 3.29Å; W66-L78 HydrophobicContact CB-CB 4.45Å; W66-L78 HydrophobicContact CE3-CD1 3.65Å; W66-L78 HydrophobicContact CE3-CG 4.24Å; W66-L78 HydrophobicContact CZ3-CD1 4.3Å; W66-L78 PolarHBondContact O-N 3.49Å
67H90.1Very high87.7Confident89 Ų8984.2 Ų84.241%0.41243%0.433SS..EExtended strand (participates in β ladder)trans-73.1114.4168.8-178-70.5000108.6T70H67-T70 WeakPolarHBondContact CE1-CG2 3.33Å; H67-T70 WeakPolarHBondContact NE2-CG2 3.28Å
68W88.8Confident87.7Confident127 Ų12782.7 Ų82.748%0.48143%0.425SS..EExtended strand (participates in β ladder)trans-85.2-56.2-174.6-174.137.5000111.9W66 L76 F138W66-W68 AromaticContact CH2-CD1 3.85Å; W66-W68 AromaticContact CZ3-CD1 3.74Å; W66-W68 HydrophobicContact CZ3-CG 4.47Å; W66-W68 PolarHBondContact O-N 3.41Å; W68-L76 WeakPolarHBondContact CA-O 3.34Å; W68-L76 WeakPolarHBondContact CB-O 3.47Å; W68-L76 HydrophobicContact CE3-CB 4.13Å; W68-L76 HydrophobicContact CE3-CD1 4.12Å; W68-L76 HydrophobicContact CZ3-CD1 4.18Å; W68-L76 PolarHBondContact N-O 3.11Å; W68-F138 HydrophobicContact CE3-CD1 4.42Å; W68-F138 HydrophobicContact CE3-CE1 4.01Å; W68-F138 AromaticContact CH2-CE1 3.46Å; W68-F138 HydrophobicContact CH2-CE1 3.46Å; W68-F138 VanDerWaalsContact CH2-CE1 3.46Å; W68-F138 AromaticContact CH2-CZ 3.6Å; W68-F138 HydrophobicContact CH2-CZ 3.6Å; W68-F138 AromaticContact CZ3-CD1 3.78Å; W68-F138 HydrophobicContact CZ3-CD1 3.78Å; W68-F138 AromaticContact CZ3-CE1 3.07Å; W68-F138 HydrophobicContact CZ3-CE1 3.07Å; W68-F138 AromaticContact CZ3-CZ 3.56Å; W68-F138 HydrophobicContact CZ3-CZ 3.56Å
69A90.7Very high87.7Confident36 Ų3677 Ų7730%0.29840%0.395SS..EExtended strand (participates in β ladder)trans-157.5148-179.400000111.7L76A69-L76 PolarHBondContact N-O 3.02Å; A69-L76 WeakPolarHBondContact O-CA 3.49Å; A69-L76 WeakPolarHBondContact O-CB 3.41Å; A69-L76 PolarHBondContact O-N 3.38Å
70T90.4Very high88Confident88 Ų8874.8 Ų74.854%0.5438%0.384SS..EExtended strand (participates in β ladder)trans-105.7117.9168.339.90000109.2H67 Q75H67-T70 WeakPolarHBondContact CE1-CG2 3.33Å; H67-T70 WeakPolarHBondContact NE2-CG2 3.28Å; T70-Q75 HydrophobicContact CG2-CB 4.49Å; T70-Q75 HydrophobicContact CG2-CG 3.9Å
71T87.5Confident88.1Confident74 Ų7471.2 Ų71.245%0.45437%0.367SS..EExtended strand (participates in β ladder)trans-113.1106.6173.246.80000109.3T73 T74T71-T73 PolarHBondContact O-N 2.86Å; T71-T74 PolarHBondContact N-O 3.3Å; T71-T74 PolarHBondContact O-N 3.5Å; T71-T74 PolarHBondContact O-OG1 2.9Å; T71-T74 PolarHBondContact OG1-OG1 3.31Å
72Q88.5Confident88.3Confident201 Ų20170.7 Ų70.794%0.93936%0.364SS*.THydrogen-bonded Turntrans52.3-102.1-174.4-60.3177.7-7.800111.8
73T85.8Confident88.5Confident96 Ų9667.3 Ų67.359%0.58935%0.346SS*.THydrogen-bonded Turntrans-100.3-14.5-179.446.10000113.8T71 N194T71-T73 PolarHBondContact O-N 2.86Å; T73-N194 WeakPolarHBondContact CB-ND2 3.38Å; T73-N194 PolarHBondContact OG1-ND2 3.49Å; T73-N194 PolarHBondContact OG1-OD1 3.15Å
74T83.8Confident88.7Confident22 Ų2270.2 Ų70.214%0.13536%0.357CS..EExtended strand (participates in β ladder)trans-92.4120.8-177.661.20000110.7T71 N194T71-T74 PolarHBondContact N-O 3.3Å; T71-T74 PolarHBondContact O-N 3.5Å; T71-T74 PolarHBondContact O-OG1 2.9Å; T71-T74 PolarHBondContact OG1-OG1 3.31Å; T74-N194 WeakPolarHBondContact CG2-O 3.4Å; T74-N194 WeakPolarHBondContact CG2-OD1 3.34Å
75Q86.9Confident89.2Confident143 Ų14367.2 Ų67.267%0.66833%0.333SS*.EExtended strand (participates in β ladder)trans-93.4119173.1-60.2-172.3-12.800109.8T70T70-Q75 HydrophobicContact CG2-CB 4.49Å; T70-Q75 HydrophobicContact CG2-CG 3.9Å
76L88.6Confident89.8Confident20 Ų2062.4 Ų62.411%0.10531%0.307CS..EExtended strand (participates in β ladder)trans-96.2116.6176-55.6-175.9000109W68 A69 W196W68-L76 WeakPolarHBondContact CA-O 3.34Å; W68-L76 WeakPolarHBondContact CB-O 3.47Å; W68-L76 HydrophobicContact CE3-CB 4.13Å; W68-L76 HydrophobicContact CE3-CD1 4.12Å; W68-L76 HydrophobicContact CZ3-CD1 4.18Å; W68-L76 PolarHBondContact N-O 3.11Å; A69-L76 PolarHBondContact N-O 3.02Å; A69-L76 WeakPolarHBondContact O-CA 3.49Å; A69-L76 WeakPolarHBondContact O-CB 3.41Å; A69-L76 PolarHBondContact O-N 3.38Å; L76-W196 HydrophobicContact CD1-CE3 4.47Å; L76-W196 HydrophobicContact CD1-CH2 4.15Å; L76-W196 HydrophobicContact CD1-CZ3 3.57Å; L76-W196 HydrophobicContact CD2-CD2 4.22Å; L76-W196 HydrophobicContact CD2-CE3 3.14Å; L76-W196 HydrophobicContact CD2-CH2 4.07Å; L76-W196 HydrophobicContact CD2-CZ3 3.08Å; L76-W196 HydrophobicContact CG-CE3 4.4Å; L76-W196 HydrophobicContact CG-CZ3 3.94Å
77S90.2Very high90.1Very high30 Ų3055.3 Ų55.321%0.2128%0.281CS..EExtended strand (participates in β ladder)trans-123.1154.5172.559.50000110.8W66 S79 N136W66-S77 CarbonylContact O-C 3.49Å; W66-S77 VanDerWaalsContact O-CA 3.24Å; W66-S77 WeakPolarHBondContact O-CA 3.36Å; W66-S77 WeakPolarHBondContact O-CB 3.29Å; S77-S79 PolarHBondContact O-N 3.12Å; S77-N136 PolarHBondContact O-ND2 3.46Å
78L90.1Very high90.2Very high60 Ų6052.9 Ų52.931%0.31427%0.27SS..EExtended strand (participates in β ladder)trans-78.9110.9161.6-73.6-179.5000108N65 W66 Q139N65-L78 PolarHBondContact N-O 3.41Å; W66-L78 HydrophobicContact CB-CB 4.45Å; W66-L78 HydrophobicContact CE3-CD1 3.65Å; W66-L78 HydrophobicContact CE3-CG 4.24Å; W66-L78 HydrophobicContact CZ3-CD1 4.3Å; W66-L78 PolarHBondContact O-N 3.49Å; L78-Q139 HydrophobicContact CD2-CG 4.42Å
79S91.3Very high90.5Very high2 Ų246.8 Ų46.81%0.01425%0.247CC..EExtended strand (participates in β ladder)trans-128.7121.6-171.854.60000110I63 S77 N135 N136 Q139I63-S79 CarbonylContact O-C 3.58Å; I63-S79 VanDerWaalsContact O-CA 3.3Å; I63-S79 WeakPolarHBondContact O-CA 3.48Å; S77-S79 PolarHBondContact O-N 3.12Å; S79-N135 WeakPolarHBondContact O-CB 3.48Å; S79-N135 PolarHBondContact O-N 3.09Å; S79-N135 WeakPolarHBondContact OG-CB 3.48Å; S79-N136 PolarHBondContact OG-ND2 3.1Å; S79-N136 VanDerWaalsContact OG-ND2 3.15Å; S79-N136 PolarHBondContact OG-OD1 3.32Å; S79-Q139 PolarHBondContact O-OE1 3.38Å; S79-Q139 VanDerWaalsContact O-OE1 3.09Å
80F91.2Very high90.7Very high35 Ų3545.5 Ų45.515%0.15424%0.235CC..EExtended strand (participates in β ladder)trans-101120.7177.7-60.3-73.1000109.7L12 I62 I63 T133L12-F80 HydrophobicContact CD1-CD1 3.83Å; L12-F80 HydrophobicContact CD1-CD2 4.36Å; L12-F80 HydrophobicContact CD1-CE1 3.73Å; L12-F80 HydrophobicContact CD1-CE2 4.29Å; L12-F80 HydrophobicContact CD1-CG 4.13Å; L12-F80 HydrophobicContact CD1-CZ 3.98Å; I62-F80 CarbonylContact C-O 3.41Å; I62-F80 WeakPolarHBondContact CA-O 3.48Å; I63-F80 HydrophobicContact CB-CB 4.42Å; I63-F80 PolarHBondContact N-O 3.32Å; I63-F80 PolarHBondContact O-N 3.46Å; F80-T133 CarbonylContact C-O 3.32Å; F80-T133 VanDerWaalsContact CA-O 3.23Å; F80-T133 WeakPolarHBondContact CA-O 3.31Å; F80-T133 WeakPolarHBondContact CD1-OG1 3.32Å
81K91.1Very high90.9Very high33 Ų3342 Ų4214%0.14321%0.213CC..EExtended strand (participates in β ladder)trans-95.3110.7173.1179.9172.5177-173.60109.2D83 S86 T133 N135K81-D83 HydrophobicContact CG-CB 4.24Å; K81-S86 PolarHBondContact O-OG 3.2Å; K81-T133 PolarHBondContact N-O 2.93Å; K81-N135 HydrophobicContact CB-CB 3.75Å
82L91.3Very high91.3Very high3 Ų340 Ų402%0.01620%0.201CC..EExtended strand (participates in β ladder)trans-101.379.7177.7-58.6170.8000109.8T8 E60 V61 I63 S86 M87 T133T8-L82 HydrophobicContact CG2-CD1 3.37Å; T8-L82 HydrophobicContact CG2-CD2 4.08Å; T8-L82 HydrophobicContact CG2-CG 4.35Å; T8-L82 WeakPolarHBondContact OG1-CD1 3.31Å; E60-L82 WeakPolarHBondContact CA-O 3.49Å; V61-L82 PolarHBondContact N-O 2.92Å; V61-L82 VanDerWaalsContact N-O 3.11Å; V61-L82 WeakPolarHBondContact O-CA 3.34Å; V61-L82 VanDerWaalsContact O-CB 3.28Å; V61-L82 WeakPolarHBondContact O-CB 3.5Å; V61-L82 PolarHBondContact O-N 3.23Å; I63-L82 HydrophobicContact CD1-CD1 3.55Å; I63-L82 HydrophobicContact CG1-CD1 4.18Å; L82-S86 VanDerWaalsContact CA-OG 3.31Å; L82-S86 WeakPolarHBondContact CA-OG 3.5Å; L82-M87 HydrophobicContact CB-CE 3.59Å; L82-M87 HydrophobicContact CB-SD 4.18Å; L82-M87 HydrophobicContact CD1-CE 4.28Å; L82-M87 HydrophobicContact CD2-CE 4.47Å; L82-M87 HydrophobicContact CD2-SD 4.25Å; L82-M87 HydrophobicContact CG-CE 4.35Å; L82-T133 HydrophobicContact CD2-CG2 4.49Å
83D92Very high91.6Very high4 Ų430.5 Ų30.52%0.02116%0.157CC..  trans-103.2179.2175.166.3-20.2000112.1E60 K81 F85 S86 M87 R262E60-D83 HydrophobicContact CG-CB 4.34Å; K81-D83 HydrophobicContact CG-CB 4.24Å; D83-F85 PolarHBondContact O-N 2.97Å; D83-F85 VanDerWaalsContact O-N 3.14Å; D83-F85 WeakPolarHBondContact OD2-CD2 3.33Å; D83-S86 PolarHBondContact N-OG 3.42Å; D83-S86 PolarHBondContact O-N 2.99Å; D83-S86 PolarHBondContact O-OG 3.29Å; D83-S86 WeakPolarHBondContact OD1-CB 2.94Å; D83-S86 PolarHBondContact OD1-N 3.44Å; D83-S86 PolarHBondContact OD1-OG 3.05Å; D83-M87 WeakPolarHBondContact O-CB 3.46Å; D83-M87 VanDerWaalsContact O-CG 3.25Å; D83-M87 WeakPolarHBondContact O-CG 3.47Å; D83-M87 PolarHBondContact O-N 3.36Å; D83-R262 IonicContact OD1-CZ 3.74Å; D83-R262 IonicContact OD1-NH1 3.38Å; D83-R262 PolarHBondContact OD1-NH1 3.03Å; D83-R262 IonicContact OD1-NH2 3.89Å; D83-R262 PolarHBondContact OD1-NH2 2.93Å; D83-R262 IonicContact OD2-CZ 3.96Å; D83-R262 IonicContact OD2-NE 3.92Å; D83-R262 IonicContact OD2-NH1 3.15Å; D83-R262 PolarHBondContact OD2-NH1 3.12Å; D83-R262 IonicContact OD2-NH2 3.92Å
84Y92.9Very high92.1Very high73 Ų7326 Ų2629%0.28613%0.129SC..Hα-helixtrans-46-46.4176175.4-104.9000113.2F54 M88 F326F54-Y84 AromaticContact CE1-CD2 3.79Å; F54-Y84 HydrophobicContact CE1-CD2 3.79Å; F54-Y84 HydrophobicContact CE1-CG 4.49Å; F54-Y84 HydrophobicContact CZ-CD2 4.29Å; Y84-M88 HydrophobicContact CD2-CE 4.37Å; Y84-M88 HydrophobicContact CD2-CG 4.08Å; Y84-M88 HydrophobicContact CE2-CE 3.93Å; Y84-M88 HydrophobicContact CE2-CG 3.76Å; Y84-M88 WeakPolarHBondContact O-CB 3.43Å; Y84-M88 WeakPolarHBondContact O-CG 3.4Å; Y84-M88 PolarHBondContact O-N 3.09Å; Y84-F326 HydrophobicContact CD1-CD1 4.29Å; Y84-F326 HydrophobicContact CD1-CE1 4.36Å; Y84-F326 AromaticContact CE1-CD1 3.62Å; Y84-F326 HydrophobicContact CE1-CD1 3.62Å; Y84-F326 AromaticContact CE1-CE1 3.87Å; Y84-F326 HydrophobicContact CE1-CE1 3.87Å
85F94.2Very high92.7Very high23 Ų2330 Ų3010%0.10115%0.145CC..Hα-helixtrans-65.8-47.7-176.6-60.1-54.7000112.8D83 F89 F258 I261 H323 F326D83-F85 PolarHBondContact O-N 2.97Å; D83-F85 VanDerWaalsContact O-N 3.14Å; D83-F85 WeakPolarHBondContact OD2-CD2 3.33Å; F85-F89 WeakPolarHBondContact O-CB 3.37Å; F85-F89 PolarHBondContact O-N 3.48Å; F85-F89 VanDerWaalsContact O-N 3.13Å; F85-F258 HydrophobicContact CB-CE2 3.85Å; F85-F258 HydrophobicContact CB-CZ 4.14Å; F85-I261 HydrophobicContact CD1-CG2 3.76Å; F85-I261 HydrophobicContact CD2-CG2 4.03Å; F85-I261 HydrophobicContact CE1-CG2 3.34Å; F85-I261 HydrophobicContact CE2-CG2 3.65Å; F85-I261 HydrophobicContact CG-CG2 4.08Å; F85-I261 HydrophobicContact CZ-CG2 3.29Å; F85-H323 AromaticContact CE1-ND1 3.77Å; F85-H323 AromaticContact CZ-CE1 3.7Å; F85-H323 AromaticContact CZ-ND1 3.75Å; F85-F326 HydrophobicContact CB-CD2 4.41Å; F85-F326 HydrophobicContact CB-CE2 4.06Å; F85-F326 HydrophobicContact CB-CZ 4.34Å; F85-F326 HydrophobicContact CD1-CB 3.95Å; F85-F326 AromaticContact CD1-CD1 3.8Å; F85-F326 HydrophobicContact CD1-CD1 3.8Å; F85-F326 AromaticContact CD1-CD2 3.55Å; F85-F326 HydrophobicContact CD1-CD2 3.55Å; F85-F326 HydrophobicContact CD1-CE1 4.18Å; F85-F326 AromaticContact CD1-CE2 3.97Å; F85-F326 HydrophobicContact CD1-CE2 3.97Å; F85-F326 AromaticContact CD1-CG 3.45Å; F85-F326 HydrophobicContact CD1-CG 3.45Å; F85-F326 VanDerWaalsContact CD1-CG 3.45Å; F85-F326 HydrophobicContact CD1-CZ 4.27Å; F85-F326 HydrophobicContact CE1-CB 3.83Å; F85-F326 HydrophobicContact CE1-CD1 4.26Å; F85-F326 HydrophobicContact CE1-CD2 4.3Å; F85-F326 AromaticContact CE1-CG 3.86Å; F85-F326 HydrophobicContact CE1-CG 3.86Å; F85-F326 HydrophobicContact CG-CD2 4.39Å; F85-F326 WeakPolarHBondContact O-CZ 3.41Å
86S93.2Very high93.1Very high0 Ų023.8 Ų23.80%012%0.116CC..Hα-helixtrans-68-43.3177.349.70000112.3K81 L82 D83 M88 F89 I90K81-S86 PolarHBondContact O-OG 3.2Å; L82-S86 VanDerWaalsContact CA-OG 3.31Å; L82-S86 WeakPolarHBondContact CA-OG 3.5Å; D83-S86 PolarHBondContact N-OG 3.42Å; D83-S86 PolarHBondContact O-N 2.99Å; D83-S86 PolarHBondContact O-OG 3.29Å; D83-S86 WeakPolarHBondContact OD1-CB 2.94Å; D83-S86 PolarHBondContact OD1-N 3.44Å; D83-S86 PolarHBondContact OD1-OG 3.05Å; S86-M88 PolarHBondContact O-N 2.95Å; S86-F89 PolarHBondContact O-N 3.44Å; S86-I90 WeakPolarHBondContact O-CD1 3.48Å; S86-I90 WeakPolarHBondContact O-CG1 3.27Å; S86-I90 PolarHBondContact O-N 3.1Å
87M92.7Very high93.4Very high3 Ų322.8 Ų22.82%0.01511%0.112CC..Hα-helixtrans-60.8-47.1-178.1-69.4-55.7-150.900111.7H4 T8 P50 T51 F54 L82 D83 P91H4-M87 WeakPolarHBondContact CE1-CE 3.37Å; H4-M87 WeakPolarHBondContact NE2-CE 3.47Å; T8-M87 HydrophobicContact CG2-CE 4.39Å; P50-M87 HydrophobicContact CB-CE 4.27Å; P50-M87 HydrophobicContact CB-SD 4.27Å; T51-M87 HydrophobicContact CG2-CB 4.34Å; T51-M87 WeakPolarHBondContact CG2-O 3.26Å; F54-M87 HydrophobicContact CB-CB 4.48Å; F54-M87 HydrophobicContact CB-CE 4.47Å; F54-M87 HydrophobicContact CB-CG 4.24Å; F54-M87 HydrophobicContact CD1-CB 4.48Å; F54-M87 HydrophobicContact CD2-CG 4.07Å; F54-M87 HydrophobicContact CG-CB 4.26Å; F54-M87 HydrophobicContact CG-CG 4.06Å; L82-M87 HydrophobicContact CB-CE 3.59Å; L82-M87 HydrophobicContact CB-SD 4.18Å; L82-M87 HydrophobicContact CD1-CE 4.28Å; L82-M87 HydrophobicContact CD2-CE 4.47Å; L82-M87 HydrophobicContact CD2-SD 4.25Å; L82-M87 HydrophobicContact CG-CE 4.35Å; D83-M87 WeakPolarHBondContact O-CB 3.46Å; D83-M87 VanDerWaalsContact O-CG 3.25Å; D83-M87 WeakPolarHBondContact O-CG 3.47Å; D83-M87 PolarHBondContact O-N 3.36Å; M87-P91 WeakPolarHBondContact O-CD 3.44Å
88M93.9Very high93.7Very high37 Ų3725.3 Ų25.318%0.18212%0.116CC..Hα-helixtrans-70-36.2178.7-71-58.6172.400113.1M55 Y84 S86 P91 V92 F326M55-M88 HydrophobicContact CE-CE 3.25Å; M55-M88 HydrophobicContact CG-CE 3.79Å; M55-M88 HydrophobicContact SD-CE 3.16Å; M55-M88 WeakPolarHBondContact SD-CE 3.27Å; Y84-M88 HydrophobicContact CD2-CE 4.37Å; Y84-M88 HydrophobicContact CD2-CG 4.08Å; Y84-M88 HydrophobicContact CE2-CE 3.93Å; Y84-M88 HydrophobicContact CE2-CG 3.76Å; Y84-M88 WeakPolarHBondContact O-CB 3.43Å; Y84-M88 WeakPolarHBondContact O-CG 3.4Å; Y84-M88 PolarHBondContact O-N 3.09Å; S86-M88 PolarHBondContact O-N 2.95Å; M88-P91 WeakPolarHBondContact O-CD 3.39Å; M88-V92 WeakPolarHBondContact O-CG2 3.13Å; M88-F326 HydrophobicContact CB-CE1 3.57Å; M88-F326 HydrophobicContact CB-CZ 3.75Å; M88-F326 HydrophobicContact CG-CE1 4.27Å
89F95Very high94Very high0 Ų025.2 Ų25.20%012%0.121CC..Hα-helixtrans-76.6-34.6-173.7-171.8-91.9000113.5F85 S86 V92 A93 M128 V132 S250 V254 F326 I329F85-F89 WeakPolarHBondContact O-CB 3.37Å; F85-F89 PolarHBondContact O-N 3.48Å; F85-F89 VanDerWaalsContact O-N 3.13Å; S86-F89 PolarHBondContact O-N 3.44Å; F89-V92 PolarHBondContact O-N 3.08Å; F89-A93 HydrophobicContact CD1-CB 4.18Å; F89-A93 HydrophobicContact CE1-CB 3.89Å; F89-A93 WeakPolarHBondContact O-CB 3.48Å; F89-A93 PolarHBondContact O-N 3.21Å; F89-M128 HydrophobicContact CE1-CE 3.66Å; F89-M128 HydrophobicContact CE1-CG 4.35Å; F89-M128 HydrophobicContact CZ-CE 3.56Å; F89-V132 HydrophobicContact CB-CG1 4.1Å; F89-V132 HydrophobicContact CD1-CB 4.18Å; F89-V132 HydrophobicContact CD1-CG1 3.74Å; F89-V132 HydrophobicContact CD1-CG2 3.52Å; F89-V132 HydrophobicContact CE1-CG2 3.49Å; F89-V132 VanDerWaalsContact CE1-CG2 3.49Å; F89-V132 HydrophobicContact CG-CG1 4.23Å; F89-V132 HydrophobicContact CG-CG2 4.42Å; F89-V132 HydrophobicContact CZ-CG2 4.38Å; F89-S250 WeakPolarHBondContact CZ-O 3.45Å; F89-V254 HydrophobicContact CE2-CG1 4.23Å; F89-F326 HydrophobicContact CB-CE2 4.11Å; F89-F326 HydrophobicContact CB-CZ 4Å; F89-F326 HydrophobicContact CD2-CE2 4.35Å; F89-I329 HydrophobicContact CD2-CG2 4.21Å; F89-I329 HydrophobicContact CE2-CG2 3.91Å
90I94.2Very high94.2Very high9 Ų925.6 Ų25.65%0.04612%0.123CC..Hα-helixtrans-57.8-51.1-177.5-68.1163.7000111.9S86 V92 A93 L94 L129 T133S86-I90 WeakPolarHBondContact O-CD1 3.48Å; S86-I90 WeakPolarHBondContact O-CG1 3.27Å; S86-I90 PolarHBondContact O-N 3.1Å; I90-V92 VanDerWaalsContact C-N 3.34Å; I90-V92 PolarHBondContact O-N 3.1Å; I90-A93 PolarHBondContact O-N 3.25Å; I90-L94 HydrophobicContact CG2-CD1 3.73Å; I90-L94 HydrophobicContact CG2-CG 4.36Å; I90-L94 WeakPolarHBondContact O-CB 3.15Å; I90-L94 VanDerWaalsContact O-CG 3.27Å; I90-L94 WeakPolarHBondContact O-CG 3.46Å; I90-L94 PolarHBondContact O-N 2.96Å; I90-L129 HydrophobicContact CB-CD2 4.26Å; I90-L129 HydrophobicContact CG1-CD2 3.91Å; I90-L129 HydrophobicContact CG2-CD2 4.01Å; I90-T133 HydrophobicContact CD1-CG2 3.56Å; I90-T133 HydrophobicContact CG1-CG2 4.26Å
91P95.1Very high94.4Very high13 Ų1324 Ų248%0.08412%0.115CC..Hα-helixtrans-62.9-37.9177-20.329.9000113.1F44 L48 T51 M87 M88 L94 F95F44-P91 HydrophobicContact CD2-CB 4.32Å; F44-P91 WeakPolarHBondContact CD2-O 3.49Å; F44-P91 HydrophobicContact CE2-CB 4.07Å; L48-P91 HydrophobicContact CD2-CB 4.16Å; T51-P91 HydrophobicContact CG2-CG 3.37Å; M87-P91 WeakPolarHBondContact O-CD 3.44Å; M88-P91 WeakPolarHBondContact O-CD 3.39Å; P91-L94 PolarHBondContact O-N 2.87Å; P91-F95 WeakPolarHBondContact O-CB 3.48Å; P91-F95 PolarHBondContact O-N 2.83Å
92V96Very high94.6Very high34 Ų3426.9 Ų26.921%0.20613%0.129CC..Hα-helixtrans-61.3-50.4177.7174.10000110M88 F89 I90 L94 F95 V96 C330 A333M88-V92 WeakPolarHBondContact O-CG2 3.13Å; F89-V92 PolarHBondContact O-N 3.08Å; I90-V92 VanDerWaalsContact C-N 3.34Å; I90-V92 PolarHBondContact O-N 3.1Å; V92-L94 PolarHBondContact O-N 3.34Å; V92-F95 PolarHBondContact O-N 3.23Å; V92-V96 WeakPolarHBondContact O-CG2 3.33Å; V92-V96 PolarHBondContact O-N 3.38Å; V92-C330 HydrophobicContact CG2-CB 4.29Å; V92-A333 HydrophobicContact CG1-CB 3.82Å
93A94.9Very high94.8Very high0 Ų030.7 Ų30.70%015%0.146CC..Hα-helixtrans-60.7-43.1177.500000112F89 I90 T97F89-A93 HydrophobicContact CD1-CB 4.18Å; F89-A93 HydrophobicContact CE1-CB 3.89Å; F89-A93 WeakPolarHBondContact O-CB 3.48Å; F89-A93 PolarHBondContact O-N 3.21Å; I90-A93 PolarHBondContact O-N 3.25Å; A93-T97 WeakPolarHBondContact O-CB 3.29Å; A93-T97 VanDerWaalsContact O-CG2 3.24Å; A93-T97 WeakPolarHBondContact O-CG2 3.15Å; A93-T97 PolarHBondContact O-N 2.92Å; A93-T97 PolarHBondContact O-OG1 3.45Å
94L95.5Very high95Very high1 Ų130.5 Ų30.51%0.00515%0.145CC..Hα-helixtrans-66.7-37.5177.8-69.9174.4000112.7L15 V40 F44 I90 P91 V92 T97 W98 L125 L129L15-L94 HydrophobicContact CD1-CD2 4.36Å; V40-L94 HydrophobicContact CG1-CD2 4.4Å; F44-L94 HydrophobicContact CB-CB 4Å; F44-L94 HydrophobicContact CD2-CB 4.21Å; I90-L94 HydrophobicContact CG2-CD1 3.73Å; I90-L94 HydrophobicContact CG2-CG 4.36Å; I90-L94 WeakPolarHBondContact O-CB 3.15Å; I90-L94 VanDerWaalsContact O-CG 3.27Å; I90-L94 WeakPolarHBondContact O-CG 3.46Å; I90-L94 PolarHBondContact O-N 2.96Å; P91-L94 PolarHBondContact O-N 2.87Å; V92-L94 PolarHBondContact O-N 3.34Å; L94-T97 WeakPolarHBondContact CA-OG1 3.35Å; L94-T97 PolarHBondContact O-OG1 3.48Å; L94-T97 VanDerWaalsContact O-OG1 3.09Å; L94-W98 VanDerWaalsContact O-CB 3.31Å; L94-W98 WeakPolarHBondContact O-CB 3.49Å; L94-W98 PolarHBondContact O-N 3.43Å; L94-L125 HydrophobicContact CD2-CD1 4.24Å; L94-L125 HydrophobicContact CD2-CD2 3.88Å; L94-L125 HydrophobicContact CD2-CG 4.45Å; L94-L129 HydrophobicContact CD2-CD1 4.21Å
95F96.3Very high95.1Very high106 Ų10628.3 Ų28.347%0.46514%0.138SC..Hα-helixtrans-67-49.7177.2-179.5-105.5000111.7F44 P91 V92 T97 W98 S99F44-F95 HydrophobicContact CD2-CB 4.01Å; F44-F95 HydrophobicContact CE1-CD2 4.3Å; F44-F95 HydrophobicContact CE2-CB 3.75Å; F44-F95 HydrophobicContact CE2-CD2 4.22Å; F44-F95 HydrophobicContact CE2-CG 4.38Å; F44-F95 HydrophobicContact CZ-CB 4.34Å; F44-F95 AromaticContact CZ-CD2 3.96Å; F44-F95 HydrophobicContact CZ-CD2 3.96Å; P91-F95 WeakPolarHBondContact O-CB 3.48Å; P91-F95 PolarHBondContact O-N 2.83Å; V92-F95 PolarHBondContact O-N 3.23Å; F95-T97 VanDerWaalsContact C-N 3.35Å; F95-T97 PolarHBondContact O-N 3.16Å; F95-W98 HydrophobicContact CD2-CE3 4.04Å; F95-W98 HydrophobicContact CD2-CZ3 4.27Å; F95-W98 HydrophobicContact CE2-CE3 4.23Å; F95-W98 HydrophobicContact CE2-CZ3 4.1Å; F95-W98 PolarHBondContact O-N 3.14Å; F95-S99 PolarHBondContact O-N 3.46Å; F95-S99 VanDerWaalsContact O-N 3.11Å
96V96.1Very high95.1Very high13 Ų1336.3 Ų36.38%0.07917%0.168CC..Hα-helixtrans-60.6-46.9176.9174.10000109.8V92 W98 S99 I100 A333V92-V96 WeakPolarHBondContact O-CG2 3.33Å; V92-V96 PolarHBondContact O-N 3.38Å; V96-W98 PolarHBondContact O-N 3.44Å; V96-S99 PolarHBondContact O-N 3.28Å; V96-S99 PolarHBondContact O-OG 3Å; V96-I100 HydrophobicContact CG1-CD1 3.67Å; V96-I100 HydrophobicContact CG1-CG1 4.34Å; V96-I100 WeakPolarHBondContact O-CG1 3.43Å; V96-I100 PolarHBondContact O-N 3.17Å; V96-A333 HydrophobicContact CG2-CB 4.44Å
97T95Very high95.2Very high0 Ų039.8 Ų39.80%018%0.182CC..Hα-helixtrans-65.1-35.7178.554.40000113.3A93 L94 F95 S99 I100 M101 L125 L246A93-T97 WeakPolarHBondContact O-CB 3.29Å; A93-T97 VanDerWaalsContact O-CG2 3.24Å; A93-T97 WeakPolarHBondContact O-CG2 3.15Å; A93-T97 PolarHBondContact O-N 2.92Å; A93-T97 PolarHBondContact O-OG1 3.45Å; L94-T97 WeakPolarHBondContact CA-OG1 3.35Å; L94-T97 PolarHBondContact O-OG1 3.48Å; L94-T97 VanDerWaalsContact O-OG1 3.09Å; F95-T97 VanDerWaalsContact C-N 3.35Å; F95-T97 PolarHBondContact O-N 3.16Å; T97-S99 PolarHBondContact O-N 2.8Å; T97-I100 PolarHBondContact O-N 3Å; T97-M101 WeakPolarHBondContact O-CB 3.47Å; T97-M101 WeakPolarHBondContact O-CG 3.48Å; T97-M101 PolarHBondContact O-N 2.93Å; T97-L125 HydrophobicContact CG2-CD1 3.74Å; T97-L125 HydrophobicContact CG2-CD2 4.48Å; T97-L125 HydrophobicContact CG2-CG 4.49Å; T97-L246 HydrophobicContact CG2-CD1 3.56Å; T97-L246 HydrophobicContact CG2-CG 4.13Å
98W96.2Very high95.3Very high82 Ų8240 Ų4031%0.31118%0.182SC..Hα-helixtrans-58.7-47.2172.5171.934.3000111.6V40 A41 L94 F95 V96 I100 M101 E102V40-W98 HydrophobicContact CG1-CB 4.05Å; A41-W98 HydrophobicContact CB-CD2 4.3Å; A41-W98 HydrophobicContact CB-CG 4.29Å; L94-W98 VanDerWaalsContact O-CB 3.31Å; L94-W98 WeakPolarHBondContact O-CB 3.49Å; L94-W98 PolarHBondContact O-N 3.43Å; F95-W98 HydrophobicContact CD2-CE3 4.04Å; F95-W98 HydrophobicContact CD2-CZ3 4.27Å; F95-W98 HydrophobicContact CE2-CE3 4.23Å; F95-W98 HydrophobicContact CE2-CZ3 4.1Å; F95-W98 PolarHBondContact O-N 3.14Å; V96-W98 PolarHBondContact O-N 3.44Å; W98-I100 VanDerWaalsContact C-N 3.35Å; W98-I100 PolarHBondContact O-N 2.81Å; W98-M101 PolarHBondContact O-N 3.43Å; W98-E102 PolarHBondContact O-N 3.31Å
99S96.1Very high95.2Very high58 Ų5844.5 Ų44.541%0.40621%0.207SC..Hα-helixtrans-62.7-39.8177.375.70000112.5F95 V96 T97 E102 F103F95-S99 PolarHBondContact O-N 3.46Å; F95-S99 VanDerWaalsContact O-N 3.11Å; V96-S99 PolarHBondContact O-N 3.28Å; V96-S99 PolarHBondContact O-OG 3Å; T97-S99 PolarHBondContact O-N 2.8Å; S99-E102 PolarHBondContact O-N 2.81Å; S99-F103 PolarHBondContact O-N 3.42Å
100I96Very high95Very high11 Ų1150 Ų506%0.05625%0.246CC..Hα-helixtrans-69.6-37.3178.7-66.4174.9000111.2V96 T97 W98 E102 F103 S104 L121 P242 A245 L246V96-I100 HydrophobicContact CG1-CD1 3.67Å; V96-I100 HydrophobicContact CG1-CG1 4.34Å; V96-I100 WeakPolarHBondContact O-CG1 3.43Å; V96-I100 PolarHBondContact O-N 3.17Å; T97-I100 PolarHBondContact O-N 3Å; W98-I100 VanDerWaalsContact C-N 3.35Å; W98-I100 PolarHBondContact O-N 2.81Å; I100-E102 VanDerWaalsContact C-N 3.3Å; I100-E102 PolarHBondContact O-N 3.39Å; I100-F103 PolarHBondContact O-N 3.37Å; I100-S104 WeakPolarHBondContact O-CB 3.28Å; I100-S104 PolarHBondContact O-N 3.37Å; I100-S104 PolarHBondContact O-OG 3.01Å; I100-L121 HydrophobicContact CG2-CD1 4.18Å; I100-P242 HydrophobicContact CG2-CB 3.86Å; I100-P242 WeakPolarHBondContact CG2-O 3.49Å; I100-A245 HydrophobicContact CD1-CB 4.17Å; I100-L246 HydrophobicContact CB-CD1 4.49Å; I100-L246 VanDerWaalsContact CD1-CA 3.49Å; I100-L246 HydrophobicContact CD1-CB 3.55Å; I100-L246 HydrophobicContact CD1-CD1 4.08Å; I100-L246 HydrophobicContact CD1-CG 3.92Å; I100-L246 HydrophobicContact CG2-CB 4.4Å; I100-L246 HydrophobicContact CG2-CD1 4.15Å
101M94.6Very high94.9Very high0 Ų050.9 Ų50.90%025%0.251CS..Hα-helixtrans-65-34.8174-72-68-156.100111.7V36 T97 W98 S104 L105 F118 L121 L122V36-M101 HydrophobicContact CG1-CE 3.69Å; V36-M101 HydrophobicContact CG1-SD 4.46Å; T97-M101 WeakPolarHBondContact O-CB 3.47Å; T97-M101 WeakPolarHBondContact O-CG 3.48Å; T97-M101 PolarHBondContact O-N 2.93Å; W98-M101 PolarHBondContact O-N 3.43Å; M101-S104 WeakPolarHBondContact CA-OG 3.38Å; M101-S104 PolarHBondContact O-OG 3.01Å; M101-L105 WeakPolarHBondContact O-CG 3.25Å; M101-L105 PolarHBondContact O-N 3.01Å; M101-F118 HydrophobicContact CB-CE1 4.04Å; M101-F118 HydrophobicContact CE-CD1 4.24Å; M101-F118 HydrophobicContact CG-CE1 4.33Å; M101-F118 WeakPolarHBondContact O-CZ 3.49Å; M101-F118 HydrophobicContact SD-CD1 3.3Å; M101-F118 WeakPolarHBondContact SD-CD1 3.35Å; M101-F118 HydrophobicContact SD-CE1 3.43Å; M101-F118 WeakPolarHBondContact SD-CE1 3.49Å; M101-F118 HydrophobicContact SD-CG 4.23Å; M101-F118 HydrophobicContact SD-CZ 4.43Å; M101-L121 HydrophobicContact CE-CB 3.98Å; M101-L121 HydrophobicContact CE-CD1 4.28Å; M101-L121 HydrophobicContact CE-CD2 3.39Å; M101-L121 HydrophobicContact CE-CG 4.05Å; M101-L121 HydrophobicContact CG-CD2 4.5Å; M101-L121 HydrophobicContact SD-CB 4.36Å; M101-L121 HydrophobicContact SD-CD1 3.77Å; M101-L121 HydrophobicContact SD-CD2 3.92Å; M101-L121 HydrophobicContact SD-CG 4.21Å; M101-L122 HydrophobicContact CE-CB 4.43Å
102E95.9Very high94.6Very high94 Ų9455.8 Ų55.844%0.43928%0.282SS..Hα-helixtrans-69.2-44.7172.9-176.3143.9-117.100111.9K37 W98 S99 I100 S104 L105K37-E102 HydrophobicContact CD-CB 4.09Å; K37-E102 IonicContact NZ-OE1 2.75Å; K37-E102 PolarHBondContact NZ-OE1 3.31Å; W98-E102 PolarHBondContact O-N 3.31Å; S99-E102 PolarHBondContact O-N 2.81Å; I100-E102 VanDerWaalsContact C-N 3.3Å; I100-E102 PolarHBondContact O-N 3.39Å; E102-S104 VanDerWaalsContact C-N 3.31Å; E102-S104 PolarHBondContact O-N 3.48Å; E102-L105 WeakPolarHBondContact O-CB 3.3Å; E102-L105 PolarHBondContact O-N 3.38Å
103F96.1Very high94.3Very high84 Ų8457.7 Ų57.737%0.36829%0.292SS..Hα-helixtrans-60.7-39.7175176.5-108.3000112.4S99 I100 L105 W106 Y107 P242S99-F103 PolarHBondContact O-N 3.42Å; I100-F103 PolarHBondContact O-N 3.37Å; F103-L105 VanDerWaalsContact C-N 3.34Å; F103-L105 PolarHBondContact O-N 2.93Å; F103-W106 HydrophobicContact CD2-CE3 4.3Å; F103-W106 AromaticContact CE2-CE3 3.89Å; F103-W106 HydrophobicContact CE2-CE3 3.89Å; F103-W106 AromaticContact CE2-CZ3 3.86Å; F103-W106 HydrophobicContact CE2-CZ3 3.86Å; F103-W106 HydrophobicContact CZ-CZ3 4.38Å; F103-W106 PolarHBondContact O-N 3.47Å; F103-Y107 HydrophobicContact CE1-CD2 4.32Å; F103-Y107 HydrophobicContact CE1-CG 4.23Å; F103-Y107 HydrophobicContact CZ-CD2 4.02Å; F103-Y107 HydrophobicContact CZ-CG 4.31Å; F103-Y107 WeakPolarHBondContact O-CB 3.23Å; F103-Y107 PolarHBondContact O-N 2.91Å; F103-P242 HydrophobicContact CD1-CB 4.08Å; F103-P242 HydrophobicContact CD1-CG 3.83Å; F103-P242 HydrophobicContact CE1-CB 4.38Å; F103-P242 HydrophobicContact CE1-CG 3.79Å
104S95Very high94.2Very high0 Ų059 Ų590%030%0.298CS..Hα-helixtrans-71.3-26-178.5670000113.5I100 M101 E102 W106 Y107 M108 F118I100-S104 WeakPolarHBondContact O-CB 3.28Å; I100-S104 PolarHBondContact O-N 3.37Å; I100-S104 PolarHBondContact O-OG 3.01Å; M101-S104 WeakPolarHBondContact CA-OG 3.38Å; M101-S104 PolarHBondContact O-OG 3.01Å; E102-S104 VanDerWaalsContact C-N 3.31Å; E102-S104 PolarHBondContact O-N 3.48Å; S104-W106 VanDerWaalsContact C-N 3.28Å; S104-W106 PolarHBondContact O-N 3.27Å; S104-Y107 PolarHBondContact O-N 3.47Å; S104-M108 WeakPolarHBondContact O-CB 3.35Å; S104-M108 PolarHBondContact O-N 3.26Å; S104-F118 WeakPolarHBondContact OG-CE2 3.18Å; S104-F118 WeakPolarHBondContact OG-CZ 3.43Å
105L94.4Very high94Very high27 Ų2761.2 Ų61.214%0.14131%0.31CS..Hα-helixtrans-58.9-42.9170.3-73.2171.5000111.3P33 K37 M101 E102 F103 F118P33-L105 HydrophobicContact CB-CD2 3.25Å; P33-L105 HydrophobicContact CG-CD2 4.43Å; K37-L105 HydrophobicContact CD-CD1 3.9Å; M101-L105 WeakPolarHBondContact O-CG 3.25Å; M101-L105 PolarHBondContact O-N 3.01Å; E102-L105 WeakPolarHBondContact O-CB 3.3Å; E102-L105 PolarHBondContact O-N 3.38Å; F103-L105 VanDerWaalsContact C-N 3.34Å; F103-L105 PolarHBondContact O-N 2.93Å; L105-F118 HydrophobicContact CD2-CE1 4.26Å; L105-F118 HydrophobicContact CD2-CE2 4.23Å; L105-F118 HydrophobicContact CD2-CZ 3.64Å; L105-F118 HydrophobicContact CG-CE1 4.38Å; L105-F118 HydrophobicContact CG-CZ 3.77Å
106W95.3Very high93.7Very high190 Ų19059.6 Ų59.672%0.7230%0.304SS*.Hα-helixtrans-75.3-47.4177.9174.281.5000111.3F103 S104F103-W106 HydrophobicContact CD2-CE3 4.3Å; F103-W106 AromaticContact CE2-CE3 3.89Å; F103-W106 HydrophobicContact CE2-CE3 3.89Å; F103-W106 AromaticContact CE2-CZ3 3.86Å; F103-W106 HydrophobicContact CE2-CZ3 3.86Å; F103-W106 HydrophobicContact CZ-CZ3 4.38Å; F103-W106 PolarHBondContact O-N 3.47Å; S104-W106 VanDerWaalsContact C-N 3.28Å; S104-W106 PolarHBondContact O-N 3.27Å
107Y95.9Very high93.6Very high74 Ų7459 Ų5929%0.2930%0.3SS..Hα-helixtrans-67.1-40.5-174.3-175.9-97.3000113.6F103 S104 P240 T241 P242F103-Y107 HydrophobicContact CE1-CD2 4.32Å; F103-Y107 HydrophobicContact CE1-CG 4.23Å; F103-Y107 HydrophobicContact CZ-CD2 4.02Å; F103-Y107 HydrophobicContact CZ-CG 4.31Å; F103-Y107 WeakPolarHBondContact O-CB 3.23Å; F103-Y107 PolarHBondContact O-N 2.91Å; S104-Y107 PolarHBondContact O-N 3.47Å; Y107-P240 HydrophobicContact CE1-CB 4.05Å; Y107-T241 WeakPolarHBondContact CD2-OG1 3.35Å; Y107-T241 HydrophobicContact CE2-CG2 4.46Å; Y107-T241 WeakPolarHBondContact CE2-OG1 3.1Å; Y107-P242 HydrophobicContact CD1-CG 3.68Å; Y107-P242 HydrophobicContact CE1-CG 4.32Å; Y107-P242 HydrophobicContact CG-CG 4.12Å
108M93.6Very high93.5Very high6 Ų659 Ų593%0.0330%0.3CS..THydrogen-bonded Turntrans-97.913.9-176.2-61.9-62.6-74.200113.5S104 S110 D111 I114 F117S104-M108 WeakPolarHBondContact O-CB 3.35Å; S104-M108 PolarHBondContact O-N 3.26Å; M108-S110 PolarHBondContact O-N 3.34Å; M108-S110 VanDerWaalsContact O-N 3.1Å; M108-D111 HydrophobicContact CE-CB 3.83Å; M108-D111 WeakPolarHBondContact CE-OD2 3.38Å; M108-D111 PolarHBondContact O-N 2.98Å; M108-I114 HydrophobicContact CB-CD1 4.11Å; M108-I114 HydrophobicContact CB-CG1 4.13Å; M108-F117 HydrophobicContact CE-CD2 4.37Å; M108-F117 HydrophobicContact CG-CD1 4.33Å; M108-F117 HydrophobicContact CG-CE1 4.3Å
109N91.3Very high93.4Very high132 Ų13257.8 Ų57.871%0.70630%0.297SS*.THydrogen-bonded Turntrans-58.6-28.5-174.7-169.125.5000113.5
110S91.2Very high93.3Very high115 Ų11557.1 Ų57.180%0.80429%0.286SS*.THydrogen-bonded Turntrans-82.9-13.4178.358.60000114.4M108M108-S110 PolarHBondContact O-N 3.34Å; M108-S110 VanDerWaalsContact O-N 3.1Å
111D91.6Very high93.3Very high29 Ų2956.7 Ų56.716%0.15528%0.284CS..  trans-84.7122-175.5-167.2-23.4000110.4M108 N113 I114 W157M108-D111 HydrophobicContact CE-CB 3.83Å; M108-D111 WeakPolarHBondContact CE-OD2 3.38Å; M108-D111 PolarHBondContact O-N 2.98Å; D111-N113 PolarHBondContact O-N 3.48Å; D111-N113 VanDerWaalsContact O-N 3.16Å; D111-N113 PolarHBondContact OD1-N 3.42Å; D111-I114 PolarHBondContact O-N 3.05Å; D111-W157 PolarHBondContact OD2-NE1 3.4Å
112P89.2Confident93.3Very high115 Ų11556.7 Ų56.775%0.74728%0.284SS*.THydrogen-bonded Turntrans-60.5-24.9178.125.5-36.3000113.1
113N91Very high93.2Very high75 Ų7554.1 Ų54.140%0.40127%0.273SS..THydrogen-bonded Turntrans-96.522.1-175.5-66.4-31.2000113.7D111 N115 Q116 F117 W157D111-N113 PolarHBondContact O-N 3.48Å; D111-N113 VanDerWaalsContact O-N 3.16Å; D111-N113 PolarHBondContact OD1-N 3.42Å; N113-N115 PolarHBondContact O-N 2.91Å; N113-N115 VanDerWaalsContact O-N 3.13Å; N113-Q116 WeakPolarHBondContact O-CB 3.5Å; N113-Q116 PolarHBondContact O-N 2.86Å; N113-F117 PolarHBondContact O-N 2.66Å; N113-F117 VanDerWaalsContact O-N 3.17Å; N113-W157 HydrophobicContact CB-CH2 4.07Å; N113-W157 HydrophobicContact CB-CZ2 3.85Å; N113-W157 WeakPolarHBondContact O-CH2 3.05Å
114I91.5Very high93.2Very high28 Ų2850.1 Ų50.114%0.14426%0.255CS..Hα-helixtrans-52-38.1179.8-167.5171.1000113.1P33 M108 D111 Q116 F117 F118P33-I114 HydrophobicContact CG-CD1 4.37Å; P33-I114 HydrophobicContact CG-CG1 4.26Å; P33-I114 HydrophobicContact CG-CG2 4.2Å; M108-I114 HydrophobicContact CB-CD1 4.11Å; M108-I114 HydrophobicContact CB-CG1 4.13Å; D111-I114 PolarHBondContact O-N 3.05Å; I114-Q116 VanDerWaalsContact C-N 3.32Å; I114-Q116 PolarHBondContact O-N 3.14Å; I114-F117 WeakPolarHBondContact O-CB 3.44Å; I114-F117 PolarHBondContact O-N 3.44Å; I114-F117 VanDerWaalsContact O-N 3.16Å; I114-F118 HydrophobicContact CD1-CD2 4.5Å; I114-F118 HydrophobicContact CD1-CE2 3.91Å; I114-F118 HydrophobicContact CG1-CD2 3.74Å; I114-F118 HydrophobicContact CG1-CE2 3.61Å; I114-F118 WeakPolarHBondContact O-CD2 3.29Å; I114-F118 PolarHBondContact O-N 3.28Å
115N91Very high93.2Very high47 Ų4750.1 Ų50.125%0.25126%0.255SS..Hα-helixtrans-62.4-38.6178.9-69-17.6000112.7K28 Y32 P33 N113 K119K28-N115 PolarHBondContact O-ND2 2.97Å; Y32-N115 HydrophobicContact CD1-CB 3.96Å; Y32-N115 WeakPolarHBondContact CE1-O 3.38Å; P33-N115 VanDerWaalsContact CD-OD1 3.25Å; P33-N115 WeakPolarHBondContact CD-OD1 3.36Å; P33-N115 WeakPolarHBondContact CG-OD1 3.35Å; N113-N115 PolarHBondContact O-N 2.91Å; N113-N115 VanDerWaalsContact O-N 3.13Å; N115-K119 PolarHBondContact O-N 2.9Å; N115-K119 VanDerWaalsContact O-N 3.11Å
116Q91.5Very high93.2Very high71 Ų7150.3 Ų50.333%0.33226%0.256SS..Hα-helixtrans-70.4-36.5177.1178.1177.7-5.800111N113 I114 K119 Y120 W157N113-Q116 WeakPolarHBondContact O-CB 3.5Å; N113-Q116 PolarHBondContact O-N 2.86Å; I114-Q116 VanDerWaalsContact C-N 3.32Å; I114-Q116 PolarHBondContact O-N 3.14Å; Q116-K119 WeakPolarHBondContact O-CB 3.34Å; Q116-K119 PolarHBondContact O-N 3.35Å; Q116-Y120 HydrophobicContact CG-CD2 4.24Å; Q116-Y120 HydrophobicContact CG-CE1 4.38Å; Q116-Y120 HydrophobicContact CG-CE2 3.71Å; Q116-Y120 PolarHBondContact NE2-OH 3.34Å; Q116-Y120 PolarHBondContact O-N 3.49Å; Q116-W157 HydrophobicContact CB-CH2 4.04Å; Q116-W157 HydrophobicContact CG-CH2 4.07Å; Q116-W157 HydrophobicContact CG-CZ3 4.14Å
117F93.4Very high93.2Very high0 Ų042.1 Ų42.10%023%0.227CC..Hα-helixtrans-60-50.2174.4-178.4-96.4000111.8M108 N113 I114 K119 Y120 L121 L154 W157 P240 P242 V243M108-F117 HydrophobicContact CE-CD2 4.37Å; M108-F117 HydrophobicContact CG-CD1 4.33Å; M108-F117 HydrophobicContact CG-CE1 4.3Å; N113-F117 PolarHBondContact O-N 2.66Å; N113-F117 VanDerWaalsContact O-N 3.17Å; I114-F117 WeakPolarHBondContact O-CB 3.44Å; I114-F117 PolarHBondContact O-N 3.44Å; I114-F117 VanDerWaalsContact O-N 3.16Å; F117-K119 VanDerWaalsContact C-N 3.29Å; F117-K119 PolarHBondContact O-N 3.4Å; F117-Y120 PolarHBondContact O-N 3.29Å; F117-L121 HydrophobicContact CE1-CD1 4.05Å; F117-L121 HydrophobicContact CZ-CD1 4.46Å; F117-L121 PolarHBondContact O-N 3.07Å; F117-L154 HydrophobicContact CD2-CD2 4.39Å; F117-L154 HydrophobicContact CE2-CD2 4.26Å; F117-W157 HydrophobicContact CB-CH2 3.65Å; F117-W157 HydrophobicContact CB-CZ2 3.8Å; F117-W157 HydrophobicContact CB-CZ3 4.12Å; F117-W157 HydrophobicContact CD2-CD2 4.02Å; F117-W157 HydrophobicContact CD2-CE3 4.13Å; F117-W157 HydrophobicContact CD2-CH2 4.47Å; F117-W157 HydrophobicContact CD2-CZ2 4.36Å; F117-W157 HydrophobicContact CD2-CZ3 4.35Å; F117-P240 HydrophobicContact CE2-CG 3.9Å; F117-P242 HydrophobicContact CZ-CB 4.24Å; F117-P242 HydrophobicContact CZ-CG 4.44Å; F117-V243 HydrophobicContact CE2-CG2 3.48Å; F117-V243 VanDerWaalsContact CE2-CG2 3.48Å; F117-V243 HydrophobicContact CZ-CG2 3.64Å
118F93.3Very high93.2Very high0 Ų038.6 Ų38.60%021%0.213CC..Hα-helixtrans-62.1-35.8177-86.3-101.6000112.5Y32 P33 V36 M101 S104 L105 I114 L122Y32-F118 HydrophobicContact CE1-CB 4.16Å; P33-F118 HydrophobicContact CB-CD1 4.13Å; P33-F118 HydrophobicContact CB-CD2 3.91Å; P33-F118 HydrophobicContact CB-CE1 4.04Å; P33-F118 HydrophobicContact CB-CE2 3.82Å; P33-F118 HydrophobicContact CB-CG 4.07Å; P33-F118 HydrophobicContact CB-CZ 3.88Å; P33-F118 HydrophobicContact CG-CD2 4.25Å; P33-F118 HydrophobicContact CG-CE2 4.44Å; V36-F118 HydrophobicContact CB-CD1 4.2Å; V36-F118 HydrophobicContact CG1-CD1 4.21Å; M101-F118 HydrophobicContact CB-CE1 4.04Å; M101-F118 HydrophobicContact CE-CD1 4.24Å; M101-F118 HydrophobicContact CG-CE1 4.33Å; M101-F118 WeakPolarHBondContact O-CZ 3.49Å; M101-F118 HydrophobicContact SD-CD1 3.3Å; M101-F118 WeakPolarHBondContact SD-CD1 3.35Å; M101-F118 HydrophobicContact SD-CE1 3.43Å; M101-F118 WeakPolarHBondContact SD-CE1 3.49Å; M101-F118 HydrophobicContact SD-CG 4.23Å; M101-F118 HydrophobicContact SD-CZ 4.43Å; S104-F118 WeakPolarHBondContact OG-CE2 3.18Å; S104-F118 WeakPolarHBondContact OG-CZ 3.43Å; L105-F118 HydrophobicContact CD2-CE1 4.26Å; L105-F118 HydrophobicContact CD2-CE2 4.23Å; L105-F118 HydrophobicContact CD2-CZ 3.64Å; L105-F118 HydrophobicContact CG-CE1 4.38Å; L105-F118 HydrophobicContact CG-CZ 3.77Å; I114-F118 HydrophobicContact CD1-CD2 4.5Å; I114-F118 HydrophobicContact CD1-CE2 3.91Å; I114-F118 HydrophobicContact CG1-CD2 3.74Å; I114-F118 HydrophobicContact CG1-CE2 3.61Å; I114-F118 WeakPolarHBondContact O-CD2 3.29Å; I114-F118 PolarHBondContact O-N 3.28Å; F118-L122 VanDerWaalsContact O-CB 3.3Å; F118-L122 WeakPolarHBondContact O-CB 3.24Å; F118-L122 PolarHBondContact O-N 3.39Å
119K93.3Very high93.3Very high58 Ų5838.5 Ų38.525%0.25221%0.213SC..Hα-helixtrans-62.5-46.5173.7-178.8-177.165.7177.20111.6T22 N115 Q116 F117 L122 I123T22-K119 HydrophobicContact CG2-CD 4.21Å; N115-K119 PolarHBondContact O-N 2.9Å; N115-K119 VanDerWaalsContact O-N 3.11Å; Q116-K119 WeakPolarHBondContact O-CB 3.34Å; Q116-K119 PolarHBondContact O-N 3.35Å; F117-K119 VanDerWaalsContact C-N 3.29Å; F117-K119 PolarHBondContact O-N 3.4Å; K119-L122 PolarHBondContact O-N 2.92Å; K119-I123 HydrophobicContact CG-CD1 3.94Å; K119-I123 VanDerWaalsContact O-CG1 3.29Å; K119-I123 WeakPolarHBondContact O-CG1 3.43Å; K119-I123 PolarHBondContact O-N 3.19Å
120Y95Very high93.4Very high44 Ų4434.4 Ų34.417%0.17319%0.19CC..Hα-helixtrans-66-40.9178.6-68.2-22.6000112.5Q116 F117 L122 I123 F124 L153 L154 W157Q116-Y120 HydrophobicContact CG-CD2 4.24Å; Q116-Y120 HydrophobicContact CG-CE1 4.38Å; Q116-Y120 HydrophobicContact CG-CE2 3.71Å; Q116-Y120 PolarHBondContact NE2-OH 3.34Å; Q116-Y120 PolarHBondContact O-N 3.49Å; F117-Y120 PolarHBondContact O-N 3.29Å; Y120-L122 VanDerWaalsContact C-N 3.3Å; Y120-L122 PolarHBondContact O-N 3.11Å; Y120-I123 HydrophobicContact CD1-CD1 4.48Å; Y120-I123 PolarHBondContact O-N 2.59Å; Y120-F124 WeakPolarHBondContact O-CB 3.28Å; Y120-F124 PolarHBondContact O-N 2.86Å; Y120-L153 HydrophobicContact CE1-CD1 4.46Å; Y120-L154 HydrophobicContact CD2-CD2 4.49Å; Y120-W157 HydrophobicContact CD2-CE3 4.22Å; Y120-W157 AromaticContact CD2-CZ3 3.71Å; Y120-W157 HydrophobicContact CD2-CZ3 3.71Å; Y120-W157 HydrophobicContact CE2-CE3 4.43Å; Y120-W157 AromaticContact CE2-CZ3 3.84Å; Y120-W157 HydrophobicContact CE2-CZ3 3.84Å
121L94.3Very high93.6Very high2 Ų229 Ų291%0.0115%0.152CC..Hα-helixtrans-62.6-40175.5-159.3169.2000111I100 M101 F117 F124 L125 L246I100-L121 HydrophobicContact CG2-CD1 4.18Å; M101-L121 HydrophobicContact CE-CB 3.98Å; M101-L121 HydrophobicContact CE-CD1 4.28Å; M101-L121 HydrophobicContact CE-CD2 3.39Å; M101-L121 HydrophobicContact CE-CG 4.05Å; M101-L121 HydrophobicContact CG-CD2 4.5Å; M101-L121 HydrophobicContact SD-CB 4.36Å; M101-L121 HydrophobicContact SD-CD1 3.77Å; M101-L121 HydrophobicContact SD-CD2 3.92Å; M101-L121 HydrophobicContact SD-CG 4.21Å; F117-L121 HydrophobicContact CE1-CD1 4.05Å; F117-L121 HydrophobicContact CZ-CD1 4.46Å; F117-L121 PolarHBondContact O-N 3.07Å; L121-F124 WeakPolarHBondContact O-CB 3.31Å; L121-F124 PolarHBondContact O-N 3.47Å; L121-L125 PolarHBondContact O-N 3.02Å; L121-L246 HydrophobicContact CD1-CD1 4.11Å; L121-L246 HydrophobicContact CD2-CD1 3.25Å; L121-L246 HydrophobicContact CG-CD1 3.77Å
122L94.5Very high93.8Very high0 Ų027.6 Ų27.60%015%0.145CC..Hα-helixtrans-67-43.1175.5-178.267.2000112.8L15 P18 I19 V36 V40 M101 F118 K119 Y120 F124 L125 I126L15-L122 HydrophobicContact CB-CD1 4.34Å; L15-L122 HydrophobicContact CD2-CD1 3.9Å; P18-L122 HydrophobicContact CB-CD2 3.57Å; P18-L122 HydrophobicContact CG-CD2 3.62Å; I19-L122 HydrophobicContact CD1-CD2 4.28Å; I19-L122 HydrophobicContact CD1-CG 4.37Å; I19-L122 HydrophobicContact CG1-CD2 3.74Å; I19-L122 HydrophobicContact CG1-CG 4.32Å; V36-L122 HydrophobicContact CG1-CB 4.44Å; V36-L122 HydrophobicContact CG1-CD1 4.45Å; V36-L122 HydrophobicContact CG1-CD2 4.33Å; V40-L122 HydrophobicContact CG2-CD1 4.35Å; M101-L122 HydrophobicContact CE-CB 4.43Å; F118-L122 VanDerWaalsContact O-CB 3.3Å; F118-L122 WeakPolarHBondContact O-CB 3.24Å; F118-L122 PolarHBondContact O-N 3.39Å; K119-L122 PolarHBondContact O-N 2.92Å; Y120-L122 VanDerWaalsContact C-N 3.3Å; Y120-L122 PolarHBondContact O-N 3.11Å; L122-F124 VanDerWaalsContact C-N 3.28Å; L122-F124 PolarHBondContact O-N 3.31Å; L122-L125 HydrophobicContact CD1-CD2 4.43Å; L122-L125 WeakPolarHBondContact O-CB 3.44Å; L122-L125 PolarHBondContact O-N 2.78Å; L122-I126 HydrophobicContact CG-CD1 4.41Å; L122-I126 WeakPolarHBondContact O-CG1 3.17Å; L122-I126 PolarHBondContact O-N 3.4Å
123I95.3Very high94Very high39 Ų3922.1 Ų22.120%0.211%0.109CC..Hα-helixtrans-61.7-42.2175.5-66.5163.9000109.8I19 K119 Y120 L125 I126 T127 M150I19-I123 HydrophobicContact CD1-CG1 3.69Å; I19-I123 HydrophobicContact CG1-CG1 4.24Å; K119-I123 HydrophobicContact CG-CD1 3.94Å; K119-I123 VanDerWaalsContact O-CG1 3.29Å; K119-I123 WeakPolarHBondContact O-CG1 3.43Å; K119-I123 PolarHBondContact O-N 3.19Å; Y120-I123 HydrophobicContact CD1-CD1 4.48Å; Y120-I123 PolarHBondContact O-N 2.59Å; I123-L125 PolarHBondContact O-N 3.1Å; I123-I126 PolarHBondContact O-N 3.46Å; I123-T127 HydrophobicContact CG2-CG2 4.41Å; I123-T127 WeakPolarHBondContact O-CG2 3.45Å; I123-T127 PolarHBondContact O-N 3.46Å; I123-T127 PolarHBondContact O-OG1 3.11Å; I123-M150 HydrophobicContact CB-SD 3.97Å; I123-M150 HydrophobicContact CG2-CE 3.71Å; I123-M150 HydrophobicContact CG2-CG 3.9Å; I123-M150 HydrophobicContact CG2-SD 3.52Å; I123-M150 VanDerWaalsContact CG2-SD 3.52Å
124F95.7Very high94.1Very high0 Ų018.8 Ų18.80%09%0.092CC..Hα-helixtrans-55.9-49.5174.5179-82.4000111.3Y120 L121 L122 I126 T127 M128 V147 M150 L154 L246 L247 T251 M252Y120-F124 WeakPolarHBondContact O-CB 3.28Å; Y120-F124 PolarHBondContact O-N 2.86Å; L121-F124 WeakPolarHBondContact O-CB 3.31Å; L121-F124 PolarHBondContact O-N 3.47Å; L122-F124 VanDerWaalsContact C-N 3.28Å; L122-F124 PolarHBondContact O-N 3.31Å; F124-I126 VanDerWaalsContact C-N 3.34Å; F124-I126 PolarHBondContact O-N 3.25Å; F124-T127 WeakPolarHBondContact CA-OG1 3.41Å; F124-T127 PolarHBondContact O-N 3.48Å; F124-T127 PolarHBondContact O-OG1 2.86Å; F124-M128 PolarHBondContact O-N 3.18Å; F124-V147 HydrophobicContact CE2-CB 4.31Å; F124-V147 HydrophobicContact CE2-CG1 3.66Å; F124-V147 HydrophobicContact CZ-CG1 3.91Å; F124-M150 HydrophobicContact CB-CB 3.95Å; F124-M150 HydrophobicContact CB-CG 4.38Å; F124-M150 HydrophobicContact CD2-CB 3.69Å; F124-M150 HydrophobicContact CG-CB 4.31Å; F124-L154 HydrophobicContact CB-CD1 4.2Å; F124-L154 HydrophobicContact CD2-CD1 4.34Å; F124-L154 HydrophobicContact CG-CD1 4.36Å; F124-L246 HydrophobicContact CD1-CD2 3.29Å; F124-L246 HydrophobicContact CE1-CD2 3.09Å; F124-L246 HydrophobicContact CG-CD2 4.38Å; F124-L246 HydrophobicContact CZ-CD2 4.03Å; F124-L247 HydrophobicContact CD2-CD2 3.94Å; F124-L247 HydrophobicContact CE1-CD2 4.18Å; F124-L247 HydrophobicContact CE2-CD2 3.18Å; F124-L247 HydrophobicContact CZ-CD2 3.36Å; F124-T251 VanDerWaalsContact CE1-CB 3.45Å; F124-T251 HydrophobicContact CE1-CG2 3.83Å; F124-T251 WeakPolarHBondContact CE1-OG1 3.34Å; F124-T251 WeakPolarHBondContact CZ-OG1 3.44Å; F124-M252 HydrophobicContact CE2-CB 4.49Å; F124-M252 HydrophobicContact CZ-CB 4.18Å
125L94.9Very high94.2Very high1 Ų117.8 Ų17.81%0.0059%0.087CC..Hα-helixtrans-57.1-45.5176.3174.863.5000111.9L15 V40 L94 T97 L121 L122 I123 T127 M128 L129L15-L125 HydrophobicContact CD1-CD2 4.17Å; L15-L125 HydrophobicContact CD1-CG 4.34Å; L15-L125 HydrophobicContact CD2-CD2 4.13Å; V40-L125 HydrophobicContact CG1-CD2 4.43Å; V40-L125 HydrophobicContact CG2-CD2 4.28Å; L94-L125 HydrophobicContact CD2-CD1 4.24Å; L94-L125 HydrophobicContact CD2-CD2 3.88Å; L94-L125 HydrophobicContact CD2-CG 4.45Å; T97-L125 HydrophobicContact CG2-CD1 3.74Å; T97-L125 HydrophobicContact CG2-CD2 4.48Å; T97-L125 HydrophobicContact CG2-CG 4.49Å; L121-L125 PolarHBondContact O-N 3.02Å; L122-L125 HydrophobicContact CD1-CD2 4.43Å; L122-L125 WeakPolarHBondContact O-CB 3.44Å; L122-L125 PolarHBondContact O-N 2.78Å; I123-L125 PolarHBondContact O-N 3.1Å; L125-T127 PolarHBondContact O-N 3.23Å; L125-M128 PolarHBondContact O-N 3.49Å; L125-L129 HydrophobicContact CD1-CD1 4.12Å; L125-L129 HydrophobicContact CD1-CG 4.19Å; L125-L129 HydrophobicContact CG-CD1 4.07Å; L125-L129 WeakPolarHBondContact O-CG 3.19Å; L125-L129 PolarHBondContact O-N 3.13Å
126I95.3Very high94.2Very high30 Ų3015.8 Ų15.815%0.1548%0.077CC..Hα-helixtrans-62.1-45178.3-68172.6000111L15 I19 L122 I123 F124 M128 L129 I130L15-I126 HydrophobicContact CB-CD1 3.91Å; L15-I126 HydrophobicContact CB-CG1 3.8Å; L15-I126 HydrophobicContact CD1-CG1 4.16Å; I19-I126 HydrophobicContact CD1-CD1 3.26Å; I19-I126 HydrophobicContact CG1-CD1 4.48Å; L122-I126 HydrophobicContact CG-CD1 4.41Å; L122-I126 WeakPolarHBondContact O-CG1 3.17Å; L122-I126 PolarHBondContact O-N 3.4Å; I123-I126 PolarHBondContact O-N 3.46Å; F124-I126 VanDerWaalsContact C-N 3.34Å; F124-I126 PolarHBondContact O-N 3.25Å; I126-M128 VanDerWaalsContact C-N 3.27Å; I126-M128 PolarHBondContact O-N 2.99Å; I126-L129 PolarHBondContact O-N 3.11Å; I126-I130 HydrophobicContact CG2-CD1 3.8Å; I126-I130 HydrophobicContact CG2-CG1 4.38Å; I126-I130 VanDerWaalsContact O-CG1 3.29Å; I126-I130 WeakPolarHBondContact O-CG1 2.95Å; I126-I130 PolarHBondContact O-N 3.25Å
127T95.4Very high94.2Very high18 Ų1812.5 Ų12.511%0.116%0.061CC..Hα-helixtrans-62.2-36.5177.955.70000112.2I123 F124 L125 I130 L131I123-T127 HydrophobicContact CG2-CG2 4.41Å; I123-T127 WeakPolarHBondContact O-CG2 3.45Å; I123-T127 PolarHBondContact O-N 3.46Å; I123-T127 PolarHBondContact O-OG1 3.11Å; F124-T127 WeakPolarHBondContact CA-OG1 3.41Å; F124-T127 PolarHBondContact O-N 3.48Å; F124-T127 PolarHBondContact O-OG1 2.86Å; L125-T127 PolarHBondContact O-N 3.23Å; T127-I130 PolarHBondContact O-N 3.03Å; T127-L131 PolarHBondContact O-N 2.95Å
128M95.1Very high94.2Very high0 Ų015.4 Ų15.40%07%0.074CC..Hα-helixtrans-68.7-42.3175.5-172.960.1-169.600112F89 F124 L125 I126 I130 L131 V132 V147 T251 A255F89-M128 HydrophobicContact CE1-CE 3.66Å; F89-M128 HydrophobicContact CE1-CG 4.35Å; F89-M128 HydrophobicContact CZ-CE 3.56Å; F124-M128 PolarHBondContact O-N 3.18Å; L125-M128 PolarHBondContact O-N 3.49Å; I126-M128 VanDerWaalsContact C-N 3.27Å; I126-M128 PolarHBondContact O-N 2.99Å; M128-I130 VanDerWaalsContact C-N 3.33Å; M128-I130 PolarHBondContact O-N 3.03Å; M128-L131 WeakPolarHBondContact O-CB 3.39Å; M128-L131 PolarHBondContact O-N 3.39Å; M128-L131 HydrophobicContact SD-CD1 4.49Å; M128-V132 HydrophobicContact CE-CG2 3.65Å; M128-V132 VanDerWaalsContact O-CG2 3.31Å; M128-V132 WeakPolarHBondContact O-CG2 3.1Å; M128-V132 PolarHBondContact O-N 3.37Å; M128-V132 HydrophobicContact SD-CG2 4.45Å; M128-V147 HydrophobicContact CB-CG2 4.18Å; M128-V147 HydrophobicContact SD-CG2 4.22Å; M128-T251 VanDerWaalsContact CE-O 3.29Å; M128-T251 WeakPolarHBondContact CE-O 3.5Å; M128-T251 HydrophobicContact CG-CG2 3.96Å; M128-A255 HydrophobicContact CE-CB 4.36Å; M128-A255 HydrophobicContact SD-CB 4.5Å
129L94.8Very high94.3Very high4 Ų415.6 Ų15.62%0.0218%0.075CC..Hα-helixtrans-65.1-37.5176.1-67.9171.9000111.9L12 L15 I90 L94 L125 I126 V132 T133L12-L129 HydrophobicContact CD2-CB 4.13Å; L15-L129 HydrophobicContact CD1-CD1 3.26Å; I90-L129 HydrophobicContact CB-CD2 4.26Å; I90-L129 HydrophobicContact CG1-CD2 3.91Å; I90-L129 HydrophobicContact CG2-CD2 4.01Å; L94-L129 HydrophobicContact CD2-CD1 4.21Å; L125-L129 HydrophobicContact CD1-CD1 4.12Å; L125-L129 HydrophobicContact CD1-CG 4.19Å; L125-L129 HydrophobicContact CG-CD1 4.07Å; L125-L129 WeakPolarHBondContact O-CG 3.19Å; L125-L129 PolarHBondContact O-N 3.13Å; I126-L129 PolarHBondContact O-N 3.11Å; L129-V132 PolarHBondContact O-N 3.06Å; L129-T133 WeakPolarHBondContact O-CB 3.45Å; L129-T133 WeakPolarHBondContact O-CG2 3.46Å; L129-T133 PolarHBondContact O-N 3.46Å; L129-T133 PolarHBondContact O-OG1 3.29Å
130I94.8Very high94.4Very high46 Ų4613.2 Ų13.224%0.2367%0.065CC..Hα-helixtrans-61-44.9172.4-69.2166.9000110.5I126 T127 M128 A134 Q139I126-I130 HydrophobicContact CG2-CD1 3.8Å; I126-I130 HydrophobicContact CG2-CG1 4.38Å; I126-I130 VanDerWaalsContact O-CG1 3.29Å; I126-I130 WeakPolarHBondContact O-CG1 2.95Å; I126-I130 PolarHBondContact O-N 3.25Å; T127-I130 PolarHBondContact O-N 3.03Å; M128-I130 VanDerWaalsContact C-N 3.33Å; M128-I130 PolarHBondContact O-N 3.03Å; I130-A134 WeakPolarHBondContact O-CB 3.49Å; I130-A134 PolarHBondContact O-N 3.13Å; I130-Q139 HydrophobicContact CG2-CG 3.94Å
131L95.5Very high94.4Very high1 Ų113 Ų131%0.0057%0.065CC..Hα-helixtrans-59.5-48.8178.2-172.5160.3000111.4T127 M128 T133 A134 L140 W144 V147 A255 F258T127-L131 PolarHBondContact O-N 2.95Å; M128-L131 WeakPolarHBondContact O-CB 3.39Å; M128-L131 PolarHBondContact O-N 3.39Å; M128-L131 HydrophobicContact SD-CD1 4.49Å; L131-T133 PolarHBondContact O-N 2.86Å; L131-A134 PolarHBondContact O-N 3.38Å; L131-L140 HydrophobicContact CG-CD2 4.45Å; L131-L140 HydrophobicContact CG-CG 4.41Å; L131-W144 HydrophobicContact CD1-CB 4.29Å; L131-W144 HydrophobicContact CD1-CE3 4.2Å; L131-V147 HydrophobicContact CD1-CG2 4.49Å; L131-A255 HydrophobicContact CD1-CB 3.83Å; L131-A255 HydrophobicContact CD2-CB 4.27Å; L131-F258 HydrophobicContact CD2-CD1 4.12Å
132V95.1Very high94.5Very high0 Ų016.8 Ų16.80%08%0.084CC..Hα-helixtrans-68.9-34.9-175.2169.30000112.2F89 M128 L129 F258 R262F89-V132 HydrophobicContact CB-CG1 4.1Å; F89-V132 HydrophobicContact CD1-CB 4.18Å; F89-V132 HydrophobicContact CD1-CG1 3.74Å; F89-V132 HydrophobicContact CD1-CG2 3.52Å; F89-V132 HydrophobicContact CE1-CG2 3.49Å; F89-V132 VanDerWaalsContact CE1-CG2 3.49Å; F89-V132 HydrophobicContact CG-CG1 4.23Å; F89-V132 HydrophobicContact CG-CG2 4.42Å; F89-V132 HydrophobicContact CZ-CG2 4.38Å; M128-V132 HydrophobicContact CE-CG2 3.65Å; M128-V132 VanDerWaalsContact O-CG2 3.31Å; M128-V132 WeakPolarHBondContact O-CG2 3.1Å; M128-V132 PolarHBondContact O-N 3.37Å; M128-V132 HydrophobicContact SD-CG2 4.45Å; L129-V132 PolarHBondContact O-N 3.06Å; V132-F258 HydrophobicContact CB-CE1 4.31Å; V132-F258 HydrophobicContact CB-CZ 4.14Å; V132-F258 HydrophobicContact CG1-CE1 4.32Å; V132-F258 HydrophobicContact CG1-CE2 4.12Å; V132-F258 HydrophobicContact CG1-CZ 3.66Å; V132-F258 HydrophobicContact CG2-CE1 4.32Å; V132-F258 HydrophobicContact CG2-CZ 4.28Å; V132-R262 PolarHBondContact O-NH2 2.87Å
133T94Very high94.6Very high0 Ų016.9 Ų16.90%09%0.085CC..Hα-helixtrans-91.6-7.1-177.9560000113.6L12 F80 K81 L82 I90 L129 L131 N135L12-T133 HydrophobicContact CD2-CG2 4.5Å; F80-T133 CarbonylContact C-O 3.32Å; F80-T133 VanDerWaalsContact CA-O 3.23Å; F80-T133 WeakPolarHBondContact CA-O 3.31Å; F80-T133 WeakPolarHBondContact CD1-OG1 3.32Å; K81-T133 PolarHBondContact N-O 2.93Å; L82-T133 HydrophobicContact CD2-CG2 4.49Å; I90-T133 HydrophobicContact CD1-CG2 3.56Å; I90-T133 HydrophobicContact CG1-CG2 4.26Å; L129-T133 WeakPolarHBondContact O-CB 3.45Å; L129-T133 WeakPolarHBondContact O-CG2 3.46Å; L129-T133 PolarHBondContact O-N 3.46Å; L129-T133 PolarHBondContact O-OG1 3.29Å; L131-T133 PolarHBondContact O-N 2.86Å; T133-N135 PolarHBondContact O-N 3.32Å
134A93.4Very high94.6Very high5 Ų515 Ų154%0.0418%0.076CC..BIsolated β-bridgetrans-61.9127.8-178.500000111.7I130 L131 Q139 L140I130-A134 WeakPolarHBondContact O-CB 3.49Å; I130-A134 PolarHBondContact O-N 3.13Å; L131-A134 PolarHBondContact O-N 3.38Å; A134-Q139 HydrophobicContact CB-CB 3.93Å; A134-Q139 HydrophobicContact CB-CG 3.77Å; A134-L140 HydrophobicContact CB-CB 3.87Å; A134-L140 HydrophobicContact CB-CG 4.46Å
135N91.9Very high94.7Very high8 Ų816 Ų164%0.0438%0.08CC..  trans-85-46.2163.7-171.546000110.5S79 K81 T133 P198S79-N135 WeakPolarHBondContact O-CB 3.48Å; S79-N135 PolarHBondContact O-N 3.09Å; S79-N135 WeakPolarHBondContact OG-CB 3.48Å; K81-N135 HydrophobicContact CB-CB 3.75Å; T133-N135 PolarHBondContact O-N 3.32Å; N135-P198 WeakPolarHBondContact O-CD 3.32Å; N135-P198 WeakPolarHBondContact O-CG 3.48Å
136N92.1Very high94.7Very high5 Ų516.6 Ų16.63%0.0279%0.086CC..SBendtrans-80.2135.5-175.5-65.24.7000110.8S77 S79 F138 Q139 L140 D197S77-N136 PolarHBondContact O-ND2 3.46Å; S79-N136 PolarHBondContact OG-ND2 3.1Å; S79-N136 VanDerWaalsContact OG-ND2 3.15Å; S79-N136 PolarHBondContact OG-OD1 3.32Å; N136-F138 PolarHBondContact O-N 3.17Å; N136-F138 VanDerWaalsContact O-N 3.17Å; N136-Q139 HydrophobicContact CB-CB 4.38Å; N136-Q139 WeakPolarHBondContact O-CB 3.41Å; N136-Q139 PolarHBondContact O-N 2.85Å; N136-L140 PolarHBondContact O-N 2.66Å; N136-D197 PolarHBondContact OD1-OD1 3.05Å
137L92.1Very high94.7Very high2 Ų215.2 Ų15.21%0.018%0.079CC..Hα-helixtrans-55-34.8176.5-88.1170000113.4L140 F141 F182 L186 F189 W196 M201 F263L137-L140 WeakPolarHBondContact O-CB 3.47Å; L137-L140 PolarHBondContact O-N 3.5Å; L137-F141 PolarHBondContact O-N 3.49Å; L137-F182 HydrophobicContact CD2-CE1 4.31Å; L137-F182 HydrophobicContact CD2-CZ 4.11Å; L137-L186 HydrophobicContact CB-CD2 3.57Å; L137-L186 HydrophobicContact CD1-CD2 4.39Å; L137-F189 HydrophobicContact CD1-CD2 3.48Å; L137-F189 VanDerWaalsContact CD1-CD2 3.48Å; L137-F189 HydrophobicContact CD1-CE2 4Å; L137-F189 HydrophobicContact CD1-CG 4.33Å; L137-W196 HydrophobicContact CB-CB 4.19Å; L137-W196 PolarHBondContact N-O 3.14Å; L137-M201 HydrophobicContact CD1-CE 4.04Å; L137-M201 HydrophobicContact CD1-SD 3.77Å; L137-F263 HydrophobicContact CD1-CZ 4.19Å; L137-F263 HydrophobicContact CD2-CE1 4.33Å; L137-F263 HydrophobicContact CD2-CE2 3.67Å; L137-F263 HydrophobicContact CD2-CZ 3.26Å; L137-F263 HydrophobicContact CG-CZ 3.79Å
138F93.2Very high94.7Very high60 Ų6014.3 Ų14.326%0.2637%0.074SC..Hα-helixtrans-66.1-41.6176-178.9-98.4000112.6W68 N136 L140 F141 I142 W196W68-F138 HydrophobicContact CE3-CD1 4.42Å; W68-F138 HydrophobicContact CE3-CE1 4.01Å; W68-F138 AromaticContact CH2-CE1 3.46Å; W68-F138 HydrophobicContact CH2-CE1 3.46Å; W68-F138 VanDerWaalsContact CH2-CE1 3.46Å; W68-F138 AromaticContact CH2-CZ 3.6Å; W68-F138 HydrophobicContact CH2-CZ 3.6Å; W68-F138 AromaticContact CZ3-CD1 3.78Å; W68-F138 HydrophobicContact CZ3-CD1 3.78Å; W68-F138 AromaticContact CZ3-CE1 3.07Å; W68-F138 HydrophobicContact CZ3-CE1 3.07Å; W68-F138 AromaticContact CZ3-CZ 3.56Å; W68-F138 HydrophobicContact CZ3-CZ 3.56Å; N136-F138 PolarHBondContact O-N 3.17Å; N136-F138 VanDerWaalsContact O-N 3.17Å; F138-L140 VanDerWaalsContact C-N 3.31Å; F138-F141 WeakPolarHBondContact O-CB 3.45Å; F138-F141 PolarHBondContact O-N 3.02Å; F138-I142 HydrophobicContact CD1-CD1 3.9Å; F138-I142 HydrophobicContact CE1-CD1 3.44Å; F138-I142 VanDerWaalsContact CE1-CD1 3.44Å; F138-I142 HydrophobicContact CE1-CG1 4.12Å; F138-I142 HydrophobicContact CZ-CD1 4.14Å; F138-I142 HydrophobicContact CZ-CG1 4.42Å; F138-I142 PolarHBondContact O-N 3.38Å; F138-W196 HydrophobicContact CB-CD2 4.28Å; F138-W196 HydrophobicContact CB-CE3 3.52Å; F138-W196 HydrophobicContact CB-CZ3 3.7Å; F138-W196 HydrophobicContact CD2-CH2 4.42Å; F138-W196 HydrophobicContact CD2-CZ3 4.06Å; F138-W196 HydrophobicContact CG-CE3 4.25Å; F138-W196 AromaticContact CG-CZ3 3.92Å; F138-W196 HydrophobicContact CG-CZ3 3.92Å
139Q94.8Very high94.7Very high5 Ų518 Ų182%0.0239%0.093CC..Hα-helixtrans-66.4-37174.7-177.2179.3-23.700111.1L78 S79 I130 A134 N136 F141 I142 G143L78-Q139 HydrophobicContact CD2-CG 4.42Å; S79-Q139 PolarHBondContact O-OE1 3.38Å; S79-Q139 VanDerWaalsContact O-OE1 3.09Å; I130-Q139 HydrophobicContact CG2-CG 3.94Å; A134-Q139 HydrophobicContact CB-CB 3.93Å; A134-Q139 HydrophobicContact CB-CG 3.77Å; N136-Q139 HydrophobicContact CB-CB 4.38Å; N136-Q139 WeakPolarHBondContact O-CB 3.41Å; N136-Q139 PolarHBondContact O-N 2.85Å; Q139-F141 VanDerWaalsContact C-N 3.31Å; Q139-F141 PolarHBondContact O-N 2.91Å; Q139-I142 WeakPolarHBondContact O-CB 3.41Å; Q139-I142 PolarHBondContact O-N 2.63Å; Q139-G143 PolarHBondContact O-N 3.17Å; Q139-G143 VanDerWaalsContact O-N 3.11Å
140L95.3Very high94.7Very high8 Ų819.3 Ų19.34%0.04210%0.099CC..Hα-helixtrans-61.6-41.9173.6-161155.3000110.6L131 A134 N136 L137 F138 I142 G143 W144 F182 L259L131-L140 HydrophobicContact CG-CD2 4.45Å; L131-L140 HydrophobicContact CG-CG 4.41Å; A134-L140 HydrophobicContact CB-CB 3.87Å; A134-L140 HydrophobicContact CB-CG 4.46Å; N136-L140 PolarHBondContact O-N 2.66Å; L137-L140 WeakPolarHBondContact O-CB 3.47Å; L137-L140 PolarHBondContact O-N 3.5Å; F138-L140 VanDerWaalsContact C-N 3.31Å; L140-I142 PolarHBondContact O-N 3.13Å; L140-G143 PolarHBondContact O-N 3.1Å; L140-W144 HydrophobicContact CD2-CE3 4.38Å; L140-W144 VanDerWaalsContact O-CB 3.29Å; L140-W144 WeakPolarHBondContact O-CB 3.28Å; L140-W144 PolarHBondContact O-N 2.83Å; L140-F182 HydrophobicContact CB-CZ 4.35Å; L140-F182 HydrophobicContact CD2-CE2 3.37Å; L140-F182 HydrophobicContact CD2-CZ 3.49Å; L140-F182 VanDerWaalsContact CD2-CZ 3.49Å; L140-F182 HydrophobicContact CG-CZ 4.48Å; L140-L259 HydrophobicContact CD2-CD1 4.18Å
141F96.1Very high94.6Very high39 Ų3917.1 Ų17.117%0.1719%0.088CC..Hα-helixtrans-63.3-38.8175.3-171.4-108.2000113.1L137 F138 Q139 G143 W144 E145 D179 F182 I183 L186L137-F141 PolarHBondContact O-N 3.49Å; F138-F141 WeakPolarHBondContact O-CB 3.45Å; F138-F141 PolarHBondContact O-N 3.02Å; Q139-F141 VanDerWaalsContact C-N 3.31Å; Q139-F141 PolarHBondContact O-N 2.91Å; F141-G143 VanDerWaalsContact C-N 3.35Å; F141-G143 PolarHBondContact O-N 3.34Å; F141-W144 WeakPolarHBondContact O-CB 3.16Å; F141-W144 PolarHBondContact O-N 2.72Å; F141-E145 HydrophobicContact CD1-CG 4.43Å; F141-E145 HydrophobicContact CE1-CG 3.91Å; F141-E145 HydrophobicContact CE2-CG 4.02Å; F141-E145 HydrophobicContact CZ-CG 3.68Å; F141-E145 PolarHBondContact O-N 2.98Å; F141-D179 HydrophobicContact CE2-CB 4.49Å; F141-F182 HydrophobicContact CB-CD1 4.34Å; F141-F182 HydrophobicContact CB-CE1 3.73Å; F141-F182 HydrophobicContact CB-CZ 4.11Å; F141-F182 AromaticContact CD2-CD1 3.54Å; F141-F182 HydrophobicContact CD2-CD1 3.54Å; F141-F182 AromaticContact CD2-CE1 3.81Å; F141-F182 HydrophobicContact CD2-CE1 3.81Å; F141-F182 AromaticContact CD2-CG 4Å; F141-F182 HydrophobicContact CD2-CG 4Å; F141-F182 HydrophobicContact CD2-CZ 4.42Å; F141-F182 HydrophobicContact CE2-CD1 4.29Å; F141-F182 HydrophobicContact CG-CD1 4.3Å; F141-F182 HydrophobicContact CG-CE1 4.19Å; F141-I183 HydrophobicContact CE2-CD1 4.44Å; F141-I183 HydrophobicContact CE2-CG1 4.08Å; F141-I183 HydrophobicContact CZ-CD1 4.13Å; F141-I183 HydrophobicContact CZ-CG1 4.12Å; F141-L186 HydrophobicContact CB-CD1 4.33Å; F141-L186 HydrophobicContact CD2-CD1 4.42Å; F141-L186 HydrophobicContact CG-CD1 4.27Å
142I96.2Very high94.6Very high82 Ų8220.4 Ų20.442%0.42110%0.102SC..Hα-helixtrans-58.5-47.9172.8-69.2166.7000110.6F138 Q139 L140 W144 G146F138-I142 HydrophobicContact CD1-CD1 3.9Å; F138-I142 HydrophobicContact CE1-CD1 3.44Å; F138-I142 VanDerWaalsContact CE1-CD1 3.44Å; F138-I142 HydrophobicContact CE1-CG1 4.12Å; F138-I142 HydrophobicContact CZ-CD1 4.14Å; F138-I142 HydrophobicContact CZ-CG1 4.42Å; F138-I142 PolarHBondContact O-N 3.38Å; Q139-I142 WeakPolarHBondContact O-CB 3.41Å; Q139-I142 PolarHBondContact O-N 2.63Å; L140-I142 PolarHBondContact O-N 3.13Å; I142-W144 VanDerWaalsContact C-N 3.34Å; I142-G146 PolarHBondContact O-N 2.95Å
143G96Very high94.6Very high1 Ų122.9 Ų22.91%0.0112%0.115CC..Hα-helixtrans-63-41.2176.500000112.2Q139 L140 F141 G146 V147Q139-G143 PolarHBondContact O-N 3.17Å; Q139-G143 VanDerWaalsContact O-N 3.11Å; L140-G143 PolarHBondContact O-N 3.1Å; F141-G143 VanDerWaalsContact C-N 3.35Å; F141-G143 PolarHBondContact O-N 3.34Å; G143-G146 PolarHBondContact O-N 2.91Å; G143-V147 WeakPolarHBondContact O-CB 3.25Å; G143-V147 VanDerWaalsContact O-CG2 3.29Å; G143-V147 WeakPolarHBondContact O-CG2 3.34Å; G143-V147 PolarHBondContact O-N 2.98Å
144W95.8Very high94.7Very high1 Ų123 Ų230%0.00412%0.116CC..Hα-helixtrans-60-47.3-178.7-175.5-88.3000113.3L131 L140 F141 I142 G148 D179 F182 A219 K223 A255 L259L131-W144 HydrophobicContact CD1-CB 4.29Å; L131-W144 HydrophobicContact CD1-CE3 4.2Å; L140-W144 HydrophobicContact CD2-CE3 4.38Å; L140-W144 VanDerWaalsContact O-CB 3.29Å; L140-W144 WeakPolarHBondContact O-CB 3.28Å; L140-W144 PolarHBondContact O-N 2.83Å; F141-W144 WeakPolarHBondContact O-CB 3.16Å; F141-W144 PolarHBondContact O-N 2.72Å; I142-W144 VanDerWaalsContact C-N 3.34Å; W144-G148 PolarHBondContact O-N 3.15Å; W144-D179 PolarHBondContact NE1-OD1 2.95Å; W144-F182 HydrophobicContact CD2-CD2 4.19Å; W144-F182 HydrophobicContact CD2-CE2 4.29Å; W144-F182 HydrophobicContact CE3-CD2 4.47Å; W144-F182 HydrophobicContact CE3-CE2 4.31Å; W144-F182 HydrophobicContact CG-CD2 4.5Å; W144-F182 HydrophobicContact CZ2-CD2 4.46Å; W144-A219 HydrophobicContact CH2-CB 4.14Å; W144-A219 WeakPolarHBondContact CH2-O 3.45Å; W144-A219 HydrophobicContact CZ2-CB 3.88Å; W144-A219 VanDerWaalsContact CZ2-O 3.29Å; W144-A219 WeakPolarHBondContact CZ2-O 3.18Å; W144-K223 HydrophobicContact CD2-CG 4.11Å; W144-K223 VanDerWaalsContact CE2-CG 3.43Å; W144-K223 HydrophobicContact CE3-CG 4.37Å; W144-K223 HydrophobicContact CH2-CB 3.68Å; W144-K223 HydrophobicContact CH2-CG 3.42Å; W144-K223 VanDerWaalsContact CH2-CG 3.42Å; W144-K223 HydrophobicContact CZ2-CB 3.81Å; W144-K223 HydrophobicContact CZ2-CD 4.29Å; W144-K223 HydrophobicContact CZ2-CG 3.08Å; W144-K223 HydrophobicContact CZ3-CB 4.36Å; W144-K223 HydrophobicContact CZ3-CG 4.05Å; W144-K223 PolarHBondContact O-NZ 3.25Å; W144-A255 HydrophobicContact CZ3-CB 4.39Å; W144-L259 HydrophobicContact CE3-CD1 4.2Å; W144-L259 HydrophobicContact CH2-CD1 4Å; W144-L259 HydrophobicContact CZ3-CB 4.21Å; W144-L259 HydrophobicContact CZ3-CD1 3.66Å
145E96.3Very high94.8Very high20 Ų2022.8 Ų22.89%0.09311%0.114CC..Hα-helixtrans-72.1-40.3175.3-75.8-74.2-165.800112.1F141 V147 G148 I149 R176F141-E145 HydrophobicContact CD1-CG 4.43Å; F141-E145 HydrophobicContact CE1-CG 3.91Å; F141-E145 HydrophobicContact CE2-CG 4.02Å; F141-E145 HydrophobicContact CZ-CG 3.68Å; F141-E145 PolarHBondContact O-N 2.98Å; E145-V147 VanDerWaalsContact C-N 3.34Å; E145-V147 PolarHBondContact O-N 3.25Å; E145-G148 CarbonylContact O-C 3.6Å; E145-G148 WeakPolarHBondContact O-CA 3.45Å; E145-G148 PolarHBondContact O-N 2.9Å; E145-I149 WeakPolarHBondContact O-CG1 3.31Å; E145-I149 PolarHBondContact O-N 3.13Å; E145-R176 VanDerWaalsContact CD-NH2 3.33Å; E145-R176 IonicContact OE1-CZ 2.79Å; E145-R176 IonicContact OE1-NH1 2.95Å; E145-R176 PolarHBondContact OE1-NH1 2.93Å; E145-R176 IonicContact OE1-NH2 2.58Å; E145-R176 PolarHBondContact OE1-NH2 2.8Å; E145-R176 IonicContact OE2-CZ 3.14Å; E145-R176 IonicContact OE2-NE 3.74Å; E145-R176 IonicContact OE2-NH1 3.46Å; E145-R176 PolarHBondContact OE2-NH1 3.44Å; E145-R176 IonicContact OE2-NH2 2.62Å; E145-R176 PolarHBondContact OE2-NH2 3.29Å
146G95.9Very high94.9Very high13 Ų1323.3 Ų23.313%0.13412%0.118CC..Hα-helixtrans-55.7-48.2176.100000112I142 G143 G148 I149 M150I142-G146 PolarHBondContact O-N 2.95Å; G143-G146 PolarHBondContact O-N 2.91Å; G146-G148 VanDerWaalsContact C-N 3.3Å; G146-G148 PolarHBondContact O-N 2.64Å; G146-I149 PolarHBondContact O-N 2.87Å; G146-M150 WeakPolarHBondContact O-CB 3.44Å; G146-M150 VanDerWaalsContact O-CG 3.26Å; G146-M150 WeakPolarHBondContact O-CG 3.48Å; G146-M150 PolarHBondContact O-N 3.4Å
147V95.4Very high95.1Very high1 Ų124 Ų241%0.00612%0.121CC..Hα-helixtrans-60.6-40174169.10000110.9F124 M128 L131 G143 E145 S151 M252F124-V147 HydrophobicContact CE2-CB 4.31Å; F124-V147 HydrophobicContact CE2-CG1 3.66Å; F124-V147 HydrophobicContact CZ-CG1 3.91Å; M128-V147 HydrophobicContact CB-CG2 4.18Å; M128-V147 HydrophobicContact SD-CG2 4.22Å; L131-V147 HydrophobicContact CD1-CG2 4.49Å; G143-V147 WeakPolarHBondContact O-CB 3.25Å; G143-V147 VanDerWaalsContact O-CG2 3.29Å; G143-V147 WeakPolarHBondContact O-CG2 3.34Å; G143-V147 PolarHBondContact O-N 2.98Å; E145-V147 VanDerWaalsContact C-N 3.34Å; E145-V147 PolarHBondContact O-N 3.25Å; V147-S151 WeakPolarHBondContact O-CB 3.37Å; V147-S151 PolarHBondContact O-N 2.92Å; V147-S151 PolarHBondContact O-OG 2.91Å; V147-M252 HydrophobicContact CG1-CB 3.82Å; V147-M252 HydrophobicContact CG1-CG 3.82Å
148G94.5Very high95.1Very high0 Ų027.7 Ų27.70%013%0.134CC..Hα-helixtrans-62.3-49.9176.900000113.7W144 E145 G146 S151 F152 K223W144-G148 PolarHBondContact O-N 3.15Å; E145-G148 CarbonylContact O-C 3.6Å; E145-G148 WeakPolarHBondContact O-CA 3.45Å; E145-G148 PolarHBondContact O-N 2.9Å; G146-G148 VanDerWaalsContact C-N 3.3Å; G146-G148 PolarHBondContact O-N 2.64Å; G148-S151 PolarHBondContact O-N 3.44Å; G148-S151 PolarHBondContact O-OG 3.4Å; G148-F152 PolarHBondContact O-N 2.95Å; G148-F152 VanDerWaalsContact O-N 3.13Å; G148-K223 VanDerWaalsContact CA-NZ 3.3Å
149I95.4Very high95Very high78 Ų7833.4 Ų33.440%0.416%0.155SC..Hα-helixtrans-68.2-40.9-179-64167.6000110.9E145 G146 S151 F152 L153E145-I149 WeakPolarHBondContact O-CG1 3.31Å; E145-I149 PolarHBondContact O-N 3.13Å; G146-I149 PolarHBondContact O-N 2.87Å; I149-S151 VanDerWaalsContact C-N 3.31Å; I149-S151 PolarHBondContact O-N 3.24Å; I149-F152 WeakPolarHBondContact O-CB 3.35Å; I149-F152 PolarHBondContact O-N 3.44Å; I149-L153 PolarHBondContact O-N 3.43Å; I149-L153 VanDerWaalsContact O-N 3.15Å
150M95.2Very high94.9Very high30 Ų3037.7 Ų37.715%0.14819%0.192CC..Hα-helixtrans-65.8-36.3176.8-68-58.4131.200111.6I123 F124 G146 F152 L153 L154I123-M150 HydrophobicContact CB-SD 3.97Å; I123-M150 HydrophobicContact CG2-CE 3.71Å; I123-M150 HydrophobicContact CG2-CG 3.9Å; I123-M150 HydrophobicContact CG2-SD 3.52Å; I123-M150 VanDerWaalsContact CG2-SD 3.52Å; F124-M150 HydrophobicContact CB-CB 3.95Å; F124-M150 HydrophobicContact CB-CG 4.38Å; F124-M150 HydrophobicContact CD2-CB 3.69Å; F124-M150 HydrophobicContact CG-CB 4.31Å; G146-M150 WeakPolarHBondContact O-CB 3.44Å; G146-M150 VanDerWaalsContact O-CG 3.26Å; G146-M150 WeakPolarHBondContact O-CG 3.48Å; G146-M150 PolarHBondContact O-N 3.4Å; M150-F152 VanDerWaalsContact C-N 3.33Å; M150-F152 PolarHBondContact O-N 2.96Å; M150-L153 HydrophobicContact CE-CD1 4.22Å; M150-L153 PolarHBondContact O-N 3.31Å; M150-L153 HydrophobicContact SD-CD1 4.24Å; M150-L154 WeakPolarHBondContact O-CB 3.35Å; M150-L154 VanDerWaalsContact O-CG 3.28Å; M150-L154 WeakPolarHBondContact O-CG 3.13Å; M150-L154 PolarHBondContact O-N 3.23Å
151S93.4Very high94.8Very high1 Ų143.7 Ų43.71%0.00721%0.214CC..Hα-helixtrans-61.5-41173.275.70000112.3V147 G148 I149 L153 L154 I155 M252V147-S151 WeakPolarHBondContact O-CB 3.37Å; V147-S151 PolarHBondContact O-N 2.92Å; V147-S151 PolarHBondContact O-OG 2.91Å; G148-S151 PolarHBondContact O-N 3.44Å; G148-S151 PolarHBondContact O-OG 3.4Å; I149-S151 VanDerWaalsContact C-N 3.31Å; I149-S151 PolarHBondContact O-N 3.24Å; S151-L153 PolarHBondContact O-N 2.89Å; S151-L154 PolarHBondContact O-N 3.32Å; S151-I155 WeakPolarHBondContact O-CB 3.31Å; S151-I155 WeakPolarHBondContact O-CD1 3.34Å; S151-I155 WeakPolarHBondContact O-CG1 3.38Å; S151-I155 PolarHBondContact O-N 2.86Å; S151-M252 WeakPolarHBondContact CB-SD 3.44Å; S151-M252 WeakPolarHBondContact OG-CE 3.24Å
152F94.8Very high94.7Very high69 Ų6945 Ų4530%0.30323%0.232SC..Hα-helixtrans-57.6-52.4175.7170.5-94.3000111.1G148 I149 M150 L154 I155 S156 A168 I169G148-F152 PolarHBondContact O-N 2.95Å; G148-F152 VanDerWaalsContact O-N 3.13Å; I149-F152 WeakPolarHBondContact O-CB 3.35Å; I149-F152 PolarHBondContact O-N 3.44Å; M150-F152 VanDerWaalsContact C-N 3.33Å; M150-F152 PolarHBondContact O-N 2.96Å; F152-L154 VanDerWaalsContact C-N 3.31Å; F152-L154 PolarHBondContact O-N 3.44Å; F152-I155 PolarHBondContact O-N 3.33Å; F152-S156 WeakPolarHBondContact O-CB 3.39Å; F152-S156 PolarHBondContact O-N 3.43Å; F152-S156 PolarHBondContact O-OG 3.32Å; F152-A168 HydrophobicContact CD2-CB 3.57Å; F152-A168 WeakPolarHBondContact CD2-O 3.38Å; F152-A168 HydrophobicContact CE2-CB 3.76Å; F152-A168 HydrophobicContact CG-CB 4.37Å; F152-I169 HydrophobicContact CE2-CG1 4.11Å
153L95.8Very high94.6Very high52 Ų5246.2 Ų46.227%0.27224%0.239SC..Hα-helixtrans-62.9-35.8-179-66.8173.5000113.1Y120 I149 M150 S151 W157Y120-L153 HydrophobicContact CE1-CD1 4.46Å; I149-L153 PolarHBondContact O-N 3.43Å; I149-L153 VanDerWaalsContact O-N 3.15Å; M150-L153 HydrophobicContact CE-CD1 4.22Å; M150-L153 PolarHBondContact O-N 3.31Å; M150-L153 HydrophobicContact SD-CD1 4.24Å; S151-L153 PolarHBondContact O-N 2.89Å; L153-W157 PolarHBondContact O-N 2.89Å
154L95.2Very high94.5Very high3 Ų346.2 Ų46.22%0.01624%0.239CC..Hα-helixtrans-79.3-34.9-178.6-71.8173.1000112.7F117 Y120 F124 M150 S151 F152 W157 V243F117-L154 HydrophobicContact CD2-CD2 4.39Å; F117-L154 HydrophobicContact CE2-CD2 4.26Å; Y120-L154 HydrophobicContact CD2-CD2 4.49Å; F124-L154 HydrophobicContact CB-CD1 4.2Å; F124-L154 HydrophobicContact CD2-CD1 4.34Å; F124-L154 HydrophobicContact CG-CD1 4.36Å; M150-L154 WeakPolarHBondContact O-CB 3.35Å; M150-L154 VanDerWaalsContact O-CG 3.28Å; M150-L154 WeakPolarHBondContact O-CG 3.13Å; M150-L154 PolarHBondContact O-N 3.23Å; S151-L154 PolarHBondContact O-N 3.32Å; F152-L154 VanDerWaalsContact C-N 3.31Å; F152-L154 PolarHBondContact O-N 3.44Å; L154-W157 WeakPolarHBondContact O-CB 3.47Å; L154-V243 HydrophobicContact CB-CB 4.4Å; L154-V243 HydrophobicContact CB-CG1 3.58Å; L154-V243 HydrophobicContact CB-CG2 3.86Å; L154-V243 HydrophobicContact CD1-CG1 4.45Å; L154-V243 HydrophobicContact CD1-CG2 4.4Å; L154-V243 HydrophobicContact CD2-CG2 3.92Å; L154-V243 HydrophobicContact CG-CG2 4.29Å
155I94.6Very high94.4Very high1 Ų148.7 Ų48.71%0.00525%0.252CS..Hα-helixtrans-68-44.7173-66163.6000109.4S151 F152 W157 A167 A168 A171 A236 L247S151-I155 WeakPolarHBondContact O-CB 3.31Å; S151-I155 WeakPolarHBondContact O-CD1 3.34Å; S151-I155 WeakPolarHBondContact O-CG1 3.38Å; S151-I155 PolarHBondContact O-N 2.86Å; F152-I155 PolarHBondContact O-N 3.33Å; I155-W157 PolarHBondContact O-N 3.13Å; I155-W157 VanDerWaalsContact O-N 3.11Å; I155-A167 HydrophobicContact CG2-CB 4.2Å; I155-A168 HydrophobicContact CB-CB 4.14Å; I155-A168 HydrophobicContact CG2-CB 3.97Å; I155-A171 HydrophobicContact CD1-CB 4.05Å; I155-A236 HydrophobicContact CD1-CB 3.74Å; I155-A236 HydrophobicContact CG1-CB 4.2Å; I155-L247 HydrophobicContact CD1-CD1 4.4Å; I155-L247 HydrophobicContact CG1-CD1 4.15Å
156S94.9Very high94.4Very high18 Ų1851.8 Ų51.813%0.12627%0.273CS..THydrogen-bonded Turntrans-82.128.3178.174.90000113.7F152 W158 Y159F152-S156 WeakPolarHBondContact O-CB 3.39Å; F152-S156 PolarHBondContact O-N 3.43Å; F152-S156 PolarHBondContact O-OG 3.32Å; S156-W158 VanDerWaalsContact C-N 3.34Å; S156-W158 PolarHBondContact O-N 3.39Å; S156-Y159 PolarHBondContact O-N 2.94Å
157W95.3Very high94.3Very high21 Ų2151.3 Ų51.38%0.0827%0.267CS..SBendtrans-58.5-46.2-176.8-179.4-104.1000111.8D111 N113 Q116 F117 Y120 L153 L154 I155 Y159 P240D111-W157 PolarHBondContact OD2-NE1 3.4Å; N113-W157 HydrophobicContact CB-CH2 4.07Å; N113-W157 HydrophobicContact CB-CZ2 3.85Å; N113-W157 WeakPolarHBondContact O-CH2 3.05Å; Q116-W157 HydrophobicContact CB-CH2 4.04Å; Q116-W157 HydrophobicContact CG-CH2 4.07Å; Q116-W157 HydrophobicContact CG-CZ3 4.14Å; F117-W157 HydrophobicContact CB-CH2 3.65Å; F117-W157 HydrophobicContact CB-CZ2 3.8Å; F117-W157 HydrophobicContact CB-CZ3 4.12Å; F117-W157 HydrophobicContact CD2-CD2 4.02Å; F117-W157 HydrophobicContact CD2-CE3 4.13Å; F117-W157 HydrophobicContact CD2-CH2 4.47Å; F117-W157 HydrophobicContact CD2-CZ2 4.36Å; F117-W157 HydrophobicContact CD2-CZ3 4.35Å; Y120-W157 HydrophobicContact CD2-CE3 4.22Å; Y120-W157 AromaticContact CD2-CZ3 3.71Å; Y120-W157 HydrophobicContact CD2-CZ3 3.71Å; Y120-W157 HydrophobicContact CE2-CE3 4.43Å; Y120-W157 AromaticContact CE2-CZ3 3.84Å; Y120-W157 HydrophobicContact CE2-CZ3 3.84Å; L153-W157 PolarHBondContact O-N 2.89Å; L154-W157 WeakPolarHBondContact O-CB 3.47Å; I155-W157 PolarHBondContact O-N 3.13Å; I155-W157 VanDerWaalsContact O-N 3.11Å; W157-Y159 VanDerWaalsContact C-N 3.32Å; W157-Y159 PolarHBondContact O-N 2.75Å; W157-Y159 VanDerWaalsContact O-N 3.12Å; W157-P240 HydrophobicContact CB-CG 4.34Å
158W93.8Very high94.2Very high79 Ų7951.2 Ų51.230%0.29927%0.267SS..SBendtrans-86.573.2173-60.8-44000110.9S156 A160 R161 P240S156-W158 VanDerWaalsContact C-N 3.34Å; S156-W158 PolarHBondContact O-N 3.39Å; W158-A160 PolarHBondContact O-N 2.89Å; W158-R161 HydrophobicContact CB-CG 4.42Å; W158-R161 PolarHBondContact O-N 3.47Å; W158-P240 HydrophobicContact CH2-CB 4.25Å; W158-P240 HydrophobicContact CZ2-CB 4.35Å
159Y90.8Very high94.2Very high179 Ų17956 Ų5670%0.70229%0.291SS*.THydrogen-bonded Turntrans-52.7-22.6-176.257.5-93.3000115.4S156 W157 R161 N165S156-Y159 PolarHBondContact O-N 2.94Å; W157-Y159 VanDerWaalsContact C-N 3.32Å; W157-Y159 PolarHBondContact O-N 2.75Å; W157-Y159 VanDerWaalsContact O-N 3.12Å; Y159-R161 VanDerWaalsContact C-N 3.32Å; Y159-N165 PolarHBondContact O-ND2 3.35Å
160A92.1Very high94.2Very high95 Ų9554.9 Ų54.979%0.78529%0.285SS*.THydrogen-bonded Turntrans-73-20.917700000113.5W158W158-A160 PolarHBondContact O-N 2.89Å
161R93Very high94.1Very high134 Ų13453.5 Ų53.551%0.50628%0.278SS..  trans-84.8116.7178-67.5-173.2-179.3-173.61.1109.8W158 Y159 D163 A164 N165W158-R161 HydrophobicContact CB-CG 4.42Å; W158-R161 PolarHBondContact O-N 3.47Å; Y159-R161 VanDerWaalsContact C-N 3.32Å; R161-D163 VanDerWaalsContact C-N 3.28Å; R161-D163 PolarHBondContact O-N 3.43Å; R161-A164 HydrophobicContact CB-CB 4.07Å; R161-A164 PolarHBondContact O-N 3.43Å; R161-N165 PolarHBondContact O-N 3.37Å
162A94.8Very high94.2Very high66 Ų6655.1 Ų55.155%0.54529%0.286SS..Hα-helixtrans-58.1-42.4177.500000111.7A164 N165 T166A162-A164 PolarHBondContact O-N 3.5Å; A162-N165 PolarHBondContact O-N 3.49Å; A162-N165 VanDerWaalsContact O-N 3.13Å; A162-T166 WeakPolarHBondContact O-CG2 3.14Å; A162-T166 PolarHBondContact O-N 3.02Å
163D93.6Very high94.2Very high108 Ų10856.4 Ų56.458%0.57830%0.295SS*.Hα-helixtrans-60.4-43.3-178.6-57.8-35000112.1R161 N165 T166 A167R161-D163 VanDerWaalsContact C-N 3.28Å; R161-D163 PolarHBondContact O-N 3.43Å; D163-N165 VanDerWaalsContact C-N 3.32Å; D163-N165 PolarHBondContact O-N 2.99Å; D163-T166 WeakPolarHBondContact CA-OG1 3.29Å; D163-T166 PolarHBondContact O-N 3.24Å; D163-T166 PolarHBondContact O-OG1 2.69Å; D163-A167 WeakPolarHBondContact O-CB 3.38Å; D163-A167 PolarHBondContact O-N 2.58Å
164A93.1Very high94.2Very high1 Ų156.1 Ų56.11%0.00829%0.291CS..Hα-helixtrans-61.9-39.6176.800000112.2R161 A162 A167 A168 E238R161-A164 HydrophobicContact CB-CB 4.07Å; R161-A164 PolarHBondContact O-N 3.43Å; A162-A164 PolarHBondContact O-N 3.5Å; A164-A167 PolarHBondContact O-N 2.95Å; A164-A168 WeakPolarHBondContact O-CB 3.37Å; A164-A168 PolarHBondContact O-N 2.75Å; A164-E238 HydrophobicContact CB-CB 4.33Å
165N94.2Very high94.1Very high54 Ų5456 Ų5629%0.28929%0.29SS..Hα-helixtrans-68.5-41.3176.6-64.9-22.3000111.4Y159 R161 A162 D163 A167 A168 I169Y159-N165 PolarHBondContact O-ND2 3.35Å; R161-N165 PolarHBondContact O-N 3.37Å; A162-N165 PolarHBondContact O-N 3.49Å; A162-N165 VanDerWaalsContact O-N 3.13Å; D163-N165 VanDerWaalsContact C-N 3.32Å; D163-N165 PolarHBondContact O-N 2.99Å; N165-A167 VanDerWaalsContact C-N 3.35Å; N165-A168 PolarHBondContact O-N 3.38Å; N165-I169 VanDerWaalsContact O-CG1 3.29Å; N165-I169 WeakPolarHBondContact O-CG1 3.29Å; N165-I169 PolarHBondContact O-N 3.49Å
166T95.8Very high94.2Very high85 Ų8561.2 Ų61.252%0.52131%0.31SS..Hα-helixtrans-63.5-41.1175.563.40000111.7A162 D163 I169 Q170A162-T166 WeakPolarHBondContact O-CG2 3.14Å; A162-T166 PolarHBondContact O-N 3.02Å; D163-T166 WeakPolarHBondContact CA-OG1 3.29Å; D163-T166 PolarHBondContact O-N 3.24Å; D163-T166 PolarHBondContact O-OG1 2.69Å; T166-I169 PolarHBondContact O-N 3.22Å; T166-Q170 VanDerWaalsContact O-CB 3.28Å; T166-Q170 WeakPolarHBondContact O-CB 3.41Å; T166-Q170 PolarHBondContact O-N 2.79Å
167A94.5Very high94.3Very high2 Ų263 Ų632%0.01732%0.318CS..Hα-helixtrans-63.6-42.2175.600000112.1I155 D163 A164 N165 Q170 A171 S235I155-A167 HydrophobicContact CG2-CB 4.2Å; D163-A167 WeakPolarHBondContact O-CB 3.38Å; D163-A167 PolarHBondContact O-N 2.58Å; A164-A167 PolarHBondContact O-N 2.95Å; N165-A167 VanDerWaalsContact C-N 3.35Å; A167-Q170 WeakPolarHBondContact O-CB 3.47Å; A167-Q170 PolarHBondContact O-N 3.34Å; A167-A171 PolarHBondContact O-N 2.95Å; A167-S235 VanDerWaalsContact CB-O 3.29Å; A167-S235 WeakPolarHBondContact CB-O 3.45Å
168A94.2Very high94.3Very high0 Ų062 Ų620%031%0.314CS..Hα-helixtrans-64.3-44.1176.400000111.9F152 I155 A164 N165 Q170 A171 I172F152-A168 HydrophobicContact CD2-CB 3.57Å; F152-A168 WeakPolarHBondContact CD2-O 3.38Å; F152-A168 HydrophobicContact CE2-CB 3.76Å; F152-A168 HydrophobicContact CG-CB 4.37Å; I155-A168 HydrophobicContact CB-CB 4.14Å; I155-A168 HydrophobicContact CG2-CB 3.97Å; A164-A168 WeakPolarHBondContact O-CB 3.37Å; A164-A168 PolarHBondContact O-N 2.75Å; N165-A168 PolarHBondContact O-N 3.38Å; A168-Q170 VanDerWaalsContact C-N 3.3Å; A168-Q170 PolarHBondContact O-N 3.37Å; A168-A171 PolarHBondContact O-N 3.35Å; A168-I172 PolarHBondContact O-N 2.88Å
169I94.4Very high94.4Very high99 Ų9958.4 Ų58.451%0.50830%0.301SS..Hα-helixtrans-63.4-38.9175.5-67.7167.4000110.9F152 N165 T166 I172 L173F152-I169 HydrophobicContact CE2-CG1 4.11Å; N165-I169 VanDerWaalsContact O-CG1 3.29Å; N165-I169 WeakPolarHBondContact O-CG1 3.29Å; N165-I169 PolarHBondContact O-N 3.49Å; T166-I169 PolarHBondContact O-N 3.22Å; I169-I172 WeakPolarHBondContact O-CG2 3.47Å; I169-I172 PolarHBondContact O-N 3.39Å; I169-L173 WeakPolarHBondContact O-CB 3.43Å; I169-L173 PolarHBondContact O-N 3.22Å
170Q94.2Very high94.7Very high56 Ų5655.4 Ų55.426%0.26230%0.296SS..Hα-helixtrans-60.8-49.7175.2-172.1-178.410.100110.4T166 A167 A168 I172 L173 Y174 W232 S235T166-Q170 VanDerWaalsContact O-CB 3.28Å; T166-Q170 WeakPolarHBondContact O-CB 3.41Å; T166-Q170 PolarHBondContact O-N 2.79Å; A167-Q170 WeakPolarHBondContact O-CB 3.47Å; A167-Q170 PolarHBondContact O-N 3.34Å; A168-Q170 VanDerWaalsContact C-N 3.3Å; A168-Q170 PolarHBondContact O-N 3.37Å; Q170-I172 PolarHBondContact O-N 3.33Å; Q170-L173 PolarHBondContact O-N 2.92Å; Q170-L173 VanDerWaalsContact O-N 3.13Å; Q170-Y174 HydrophobicContact CG-CD2 3.76Å; Q170-Y174 HydrophobicContact CG-CE2 3.41Å; Q170-Y174 VanDerWaalsContact CG-CE2 3.41Å; Q170-Y174 WeakPolarHBondContact O-CD2 3.43Å; Q170-Y174 PolarHBondContact O-N 3.13Å; Q170-Y174 VanDerWaalsContact O-N 3.09Å; Q170-W232 HydrophobicContact CG-CB 4.3Å; Q170-S235 VanDerWaalsContact OE1-CB 3.3Å; Q170-S235 PolarHBondContact OE1-OG 3.09Å
171A93Very high94.8Very high0 Ų051 Ų510%026%0.259CS..Hα-helixtrans-58.5-42.8178.500000113I155 A167 A168 N175 W232I155-A171 HydrophobicContact CD1-CB 4.05Å; A167-A171 PolarHBondContact O-N 2.95Å; A168-A171 PolarHBondContact O-N 3.35Å; A171-N175 WeakPolarHBondContact O-CB 3.4Å; A171-N175 PolarHBondContact O-N 3.42Å; A171-N175 VanDerWaalsContact O-N 3.1Å; A171-N175 PolarHBondContact O-ND2 3.46Å; A171-N175 VanDerWaalsContact O-ND2 3.17Å; A171-W232 HydrophobicContact CB-CB 4.32Å; A171-W232 HydrophobicContact CB-CE3 3.99Å
172I95.1Very high94.9Very high36 Ų3644.6 Ų44.619%0.18524%0.235CC..Hα-helixtrans-66.6-38.5176.6-163.167.2000111.4A168 I169 Q170 Y174 N175 R176A168-I172 PolarHBondContact O-N 2.88Å; I169-I172 WeakPolarHBondContact O-CG2 3.47Å; I169-I172 PolarHBondContact O-N 3.39Å; Q170-I172 PolarHBondContact O-N 3.33Å; I172-Y174 PolarHBondContact O-N 2.63Å; I172-N175 PolarHBondContact O-N 3.01Å; I172-R176 HydrophobicContact CG1-CG 4.27Å; I172-R176 WeakPolarHBondContact O-CB 3.38Å; I172-R176 WeakPolarHBondContact O-CG 3.39Å; I172-R176 PolarHBondContact O-N 3.24Å
173L96.3Very high95Very high96 Ų9645.6 Ų45.650%0.50323%0.23SC..Hα-helixtrans-61.8-47.3179.6-173.3150.9000111.8I169 Q170 N175 R176 I177I169-L173 WeakPolarHBondContact O-CB 3.43Å; I169-L173 PolarHBondContact O-N 3.22Å; Q170-L173 PolarHBondContact O-N 2.92Å; Q170-L173 VanDerWaalsContact O-N 3.13Å; L173-N175 PolarHBondContact O-N 2.85Å; L173-R176 PolarHBondContact O-N 3.27Å; L173-I177 HydrophobicContact CD2-CD1 3.75Å; L173-I177 HydrophobicContact CD2-CG1 4.5Å; L173-I177 WeakPolarHBondContact O-CG1 3.29Å; L173-I177 PolarHBondContact O-N 3.5Å; L173-I177 VanDerWaalsContact O-N 3.1Å
174Y95.1Very high95.1Very high45 Ų4544.9 Ų44.918%0.17623%0.226CC..Hα-helixtrans-66-37.9177.7-74.8-74.8000112.6Q170 I172 R176 I177 G178 L229 P231 W232Q170-Y174 HydrophobicContact CG-CD2 3.76Å; Q170-Y174 HydrophobicContact CG-CE2 3.41Å; Q170-Y174 VanDerWaalsContact CG-CE2 3.41Å; Q170-Y174 WeakPolarHBondContact O-CD2 3.43Å; Q170-Y174 PolarHBondContact O-N 3.13Å; Q170-Y174 VanDerWaalsContact O-N 3.09Å; I172-Y174 PolarHBondContact O-N 2.63Å; Y174-R176 VanDerWaalsContact C-N 3.31Å; Y174-R176 PolarHBondContact O-N 3.47Å; Y174-I177 HydrophobicContact CD1-CD1 4.44Å; Y174-I177 PolarHBondContact O-N 3.19Å; Y174-G178 PolarHBondContact O-N 3.21Å; Y174-L229 HydrophobicContact CD1-CB 3.76Å; Y174-L229 HydrophobicContact CD1-CD2 3.5Å; Y174-L229 HydrophobicContact CD1-CG 4.19Å; Y174-L229 HydrophobicContact CE1-CB 4.33Å; Y174-L229 HydrophobicContact CE1-CD2 3.85Å; Y174-P231 HydrophobicContact CE2-CB 4.47Å; Y174-W232 HydrophobicContact CD2-CB 3.64Å; Y174-W232 AromaticContact CD2-CD1 3.95Å; Y174-W232 HydrophobicContact CD2-CG 4.15Å; Y174-W232 HydrophobicContact CE2-CB 4.26Å; Y174-W232 HydrophobicContact CG-CB 4.31Å; Y174-W232 AromaticContact CG-CD1 3.76Å; Y174-W232 HydrophobicContact CG-CG 4.36Å
175N94.2Very high95Very high1 Ų144.9 Ų44.91%0.00523%0.226CC..Hα-helixtrans-59.9-44172.9-70.2-21.5000111.3A171 I172 L173 I177 G178 D179 K223 M252A171-N175 WeakPolarHBondContact O-CB 3.4Å; A171-N175 PolarHBondContact O-N 3.42Å; A171-N175 VanDerWaalsContact O-N 3.1Å; A171-N175 PolarHBondContact O-ND2 3.46Å; A171-N175 VanDerWaalsContact O-ND2 3.17Å; I172-N175 PolarHBondContact O-N 3.01Å; L173-N175 PolarHBondContact O-N 2.85Å; N175-I177 VanDerWaalsContact C-N 3.3Å; N175-I177 PolarHBondContact O-N 3.24Å; N175-G178 CarbonylContact O-C 3.57Å; N175-G178 WeakPolarHBondContact O-CA 3.47Å; N175-G178 PolarHBondContact O-N 3.48Å; N175-D179 PolarHBondContact O-N 2.92Å; N175-K223 PolarHBondContact ND2-NZ 3.32Å; N175-K223 VanDerWaalsContact OD1-CD 3.31Å; N175-K223 WeakPolarHBondContact OD1-CD 3.42Å; N175-M252 WeakPolarHBondContact ND2-CE 3.35Å
176R96.1Very high95Very high110 Ų11043.1 Ų43.142%0.41522%0.216SC..Hα-helixtrans-63.4-34.5179.4-68-74.8167.5-170.4-7.4113.1E145 I172 L173 Y174 G178 D179 I180E145-R176 VanDerWaalsContact CD-NH2 3.33Å; E145-R176 IonicContact OE1-CZ 2.79Å; E145-R176 IonicContact OE1-NH1 2.95Å; E145-R176 PolarHBondContact OE1-NH1 2.93Å; E145-R176 IonicContact OE1-NH2 2.58Å; E145-R176 PolarHBondContact OE1-NH2 2.8Å; E145-R176 IonicContact OE2-CZ 3.14Å; E145-R176 IonicContact OE2-NE 3.74Å; E145-R176 IonicContact OE2-NH1 3.46Å; E145-R176 PolarHBondContact OE2-NH1 3.44Å; E145-R176 IonicContact OE2-NH2 2.62Å; E145-R176 PolarHBondContact OE2-NH2 3.29Å; I172-R176 HydrophobicContact CG1-CG 4.27Å; I172-R176 WeakPolarHBondContact O-CB 3.38Å; I172-R176 WeakPolarHBondContact O-CG 3.39Å; I172-R176 PolarHBondContact O-N 3.24Å; L173-R176 PolarHBondContact O-N 3.27Å; Y174-R176 VanDerWaalsContact C-N 3.31Å; Y174-R176 PolarHBondContact O-N 3.47Å; R176-G178 VanDerWaalsContact C-N 3.31Å; R176-D179 VanDerWaalsContact CA-OD2 3.31Å; R176-D179 WeakPolarHBondContact CA-OD2 3.1Å; R176-D179 WeakPolarHBondContact CD-OD2 3.29Å; R176-D179 IonicContact CZ-OD2 3.14Å; R176-D179 IonicContact NE-OD2 2.83Å; R176-D179 IonicContact NH1-OD2 3.69Å; R176-D179 WeakPolarHBondContact O-CB 3.37Å; R176-D179 PolarHBondContact O-N 3.43Å; R176-I180 WeakPolarHBondContact O-CG1 3.44Å; R176-I180 PolarHBondContact O-N 2.85Å
177I96.5Very high94.8Very high57 Ų5741.1 Ų41.129%0.29221%0.209SC..Hα-helixtrans-62.2-42.3171.1-65.3167.7000110.3L173 Y174 N175 I180 L218 L229L173-I177 HydrophobicContact CD2-CD1 3.75Å; L173-I177 HydrophobicContact CD2-CG1 4.5Å; L173-I177 WeakPolarHBondContact O-CG1 3.29Å; L173-I177 PolarHBondContact O-N 3.5Å; L173-I177 VanDerWaalsContact O-N 3.1Å; Y174-I177 HydrophobicContact CD1-CD1 4.44Å; Y174-I177 PolarHBondContact O-N 3.19Å; N175-I177 VanDerWaalsContact C-N 3.3Å; N175-I177 PolarHBondContact O-N 3.24Å; I177-I180 WeakPolarHBondContact O-CB 3.41Å; I177-I180 PolarHBondContact O-N 3.48Å; I177-L218 WeakPolarHBondContact O-CD2 3.47Å; I177-L229 HydrophobicContact CD1-CD2 4.08Å; I177-L229 HydrophobicContact CG2-CD1 4.09Å; I177-L229 HydrophobicContact CG2-CD2 4.07Å
178G95.3Very high94.6Very high0 Ų043 Ų430%022%0.215CC..Hα-helixtrans-63.7-38.817300000113Y174 N175 R176 I180 G181 F182 A219Y174-G178 PolarHBondContact O-N 3.21Å; N175-G178 CarbonylContact O-C 3.57Å; N175-G178 WeakPolarHBondContact O-CA 3.47Å; N175-G178 PolarHBondContact O-N 3.48Å; R176-G178 VanDerWaalsContact C-N 3.31Å; G178-I180 PolarHBondContact O-N 3.35Å; G178-G181 WeakPolarHBondContact O-CA 3.48Å; G178-G181 PolarHBondContact O-N 2.96Å; G178-F182 PolarHBondContact O-N 2.95Å; G178-F182 VanDerWaalsContact O-N 3.09Å; G178-A219 WeakPolarHBondContact O-CA 3.28Å; G178-A219 WeakPolarHBondContact O-CB 3.34Å
179D95.9Very high94.4Very high3 Ų343.1 Ų43.12%0.01622%0.216CC..Hα-helixtrans-61.7-32.3179.8-57.2-25.5000112F141 W144 N175 R176 G181 F182 I183F141-D179 HydrophobicContact CE2-CB 4.49Å; W144-D179 PolarHBondContact NE1-OD1 2.95Å; N175-D179 PolarHBondContact O-N 2.92Å; R176-D179 VanDerWaalsContact CA-OD2 3.31Å; R176-D179 WeakPolarHBondContact CA-OD2 3.1Å; R176-D179 WeakPolarHBondContact CD-OD2 3.29Å; R176-D179 IonicContact CZ-OD2 3.14Å; R176-D179 IonicContact NE-OD2 2.83Å; R176-D179 IonicContact NH1-OD2 3.69Å; R176-D179 WeakPolarHBondContact O-CB 3.37Å; R176-D179 PolarHBondContact O-N 3.43Å; D179-G181 VanDerWaalsContact C-N 3.27Å; D179-G181 PolarHBondContact O-N 2.95Å; D179-F182 PolarHBondContact O-N 3Å; D179-I183 WeakPolarHBondContact O-CB 3.29Å; D179-I183 VanDerWaalsContact O-CG1 3.26Å; D179-I183 WeakPolarHBondContact O-CG1 3.48Å; D179-I183 PolarHBondContact O-N 3.27Å
180I96.9Very high94.1Very high116 Ų11641.4 Ų41.460%0.59521%0.207SC*.Hα-helixtrans-57.4-43.4172.7-64.3166.7000110.5R176 I177 G178 L184R176-I180 WeakPolarHBondContact O-CG1 3.44Å; R176-I180 PolarHBondContact O-N 2.85Å; I177-I180 WeakPolarHBondContact O-CB 3.41Å; I177-I180 PolarHBondContact O-N 3.48Å; G178-I180 PolarHBondContact O-N 3.35Å; I180-L184 WeakPolarHBondContact O-CB 3.5Å; I180-L184 PolarHBondContact O-N 2.98Å
181G95.6Very high93.9Very high2 Ų245.5 Ų45.52%0.02123%0.23CC..Hα-helixtrans-67.9-39.3177.300000112.6G178 D179 L184 A185 G215G178-G181 WeakPolarHBondContact O-CA 3.48Å; G178-G181 PolarHBondContact O-N 2.96Å; D179-G181 VanDerWaalsContact C-N 3.27Å; D179-G181 PolarHBondContact O-N 2.95Å; G181-L184 WeakPolarHBondContact O-CB 3.43Å; G181-L184 PolarHBondContact O-N 2.62Å; G181-A185 PolarHBondContact O-N 3.46Å; G181-G215 CarbonylContact C-O 3.52Å; G181-G215 VanDerWaalsContact CA-O 3.31Å; G181-G215 WeakPolarHBondContact CA-O 3.17Å; G181-G215 CarbonylContact O-C 3.47Å; G181-G215 VanDerWaalsContact O-CA 3.25Å; G181-G215 WeakPolarHBondContact O-CA 3.31Å
182F95.4Very high93.5Very high0 Ų051.3 Ų51.30%026%0.257CS..Hα-helixtrans-63.8-47.5176.1-162-65.9000111.5L137 L140 F141 W144 G178 D179 L184 A185 L186 A219 L259L137-F182 HydrophobicContact CD2-CE1 4.31Å; L137-F182 HydrophobicContact CD2-CZ 4.11Å; L140-F182 HydrophobicContact CB-CZ 4.35Å; L140-F182 HydrophobicContact CD2-CE2 3.37Å; L140-F182 HydrophobicContact CD2-CZ 3.49Å; L140-F182 VanDerWaalsContact CD2-CZ 3.49Å; L140-F182 HydrophobicContact CG-CZ 4.48Å; F141-F182 HydrophobicContact CB-CD1 4.34Å; F141-F182 HydrophobicContact CB-CE1 3.73Å; F141-F182 HydrophobicContact CB-CZ 4.11Å; F141-F182 AromaticContact CD2-CD1 3.54Å; F141-F182 HydrophobicContact CD2-CD1 3.54Å; F141-F182 AromaticContact CD2-CE1 3.81Å; F141-F182 HydrophobicContact CD2-CE1 3.81Å; F141-F182 AromaticContact CD2-CG 4Å; F141-F182 HydrophobicContact CD2-CG 4Å; F141-F182 HydrophobicContact CD2-CZ 4.42Å; F141-F182 HydrophobicContact CE2-CD1 4.29Å; F141-F182 HydrophobicContact CG-CD1 4.3Å; F141-F182 HydrophobicContact CG-CE1 4.19Å; W144-F182 HydrophobicContact CD2-CD2 4.19Å; W144-F182 HydrophobicContact CD2-CE2 4.29Å; W144-F182 HydrophobicContact CE3-CD2 4.47Å; W144-F182 HydrophobicContact CE3-CE2 4.31Å; W144-F182 HydrophobicContact CG-CD2 4.5Å; W144-F182 HydrophobicContact CZ2-CD2 4.46Å; G178-F182 PolarHBondContact O-N 2.95Å; G178-F182 VanDerWaalsContact O-N 3.09Å; D179-F182 PolarHBondContact O-N 3Å; F182-L184 VanDerWaalsContact C-N 3.3Å; F182-L184 PolarHBondContact O-N 3Å; F182-A185 WeakPolarHBondContact O-CB 3.49Å; F182-A185 PolarHBondContact O-N 3.47Å; F182-A185 VanDerWaalsContact O-N 3.16Å; F182-L186 HydrophobicContact CD1-CD1 3.63Å; F182-L186 HydrophobicContact CD1-CG 3.88Å; F182-L186 HydrophobicContact CE1-CD1 3.67Å; F182-L186 HydrophobicContact CE1-CD2 4.36Å; F182-L186 HydrophobicContact CE1-CG 3.77Å; F182-L186 PolarHBondContact O-N 3.11Å; F182-A219 HydrophobicContact CB-CB 4Å; F182-A219 HydrophobicContact CD2-CB 4.24Å; F182-L259 HydrophobicContact CD2-CD1 3.61Å; F182-L259 HydrophobicContact CE2-CD1 3.35Å; F182-L259 HydrophobicContact CZ-CD1 4.45Å
183I96.1Very high92.9Very high87 Ų8750 Ų5045%0.44625%0.251SS..Hα-helixtrans-65-37.2179.1-66.8166000110.5F141 D179 A185 L186 A187F141-I183 HydrophobicContact CE2-CD1 4.44Å; F141-I183 HydrophobicContact CE2-CG1 4.08Å; F141-I183 HydrophobicContact CZ-CD1 4.13Å; F141-I183 HydrophobicContact CZ-CG1 4.12Å; D179-I183 WeakPolarHBondContact O-CB 3.29Å; D179-I183 VanDerWaalsContact O-CG1 3.26Å; D179-I183 WeakPolarHBondContact O-CG1 3.48Å; D179-I183 PolarHBondContact O-N 3.27Å; I183-A185 VanDerWaalsContact C-N 3.33Å; I183-A185 PolarHBondContact O-N 3.03Å; I183-L186 WeakPolarHBondContact O-CB 3.49Å; I183-L186 PolarHBondContact O-N 3.48Å; I183-A187 WeakPolarHBondContact O-CB 3.4Å; I183-A187 PolarHBondContact O-N 3.24Å
184L94.8Very high92.5Very high93 Ų9349.1 Ų49.149%0.48725%0.246SC..Hα-helixtrans-58.4-46172.3-176.776000111.3I180 G181 F182 A187 W188I180-L184 WeakPolarHBondContact O-CB 3.5Å; I180-L184 PolarHBondContact O-N 2.98Å; G181-L184 WeakPolarHBondContact O-CB 3.43Å; G181-L184 PolarHBondContact O-N 2.62Å; F182-L184 VanDerWaalsContact C-N 3.3Å; F182-L184 PolarHBondContact O-N 3Å; L184-A187 PolarHBondContact O-N 2.64Å; L184-W188 WeakPolarHBondContact O-CB 3.49Å; L184-W188 PolarHBondContact O-N 2.76Å
185A92.5Very high92Very high1 Ų147.4 Ų47.41%0.00824%0.241CC..Hα-helixtrans-63.3-46.5177.100000111.4G181 F182 I183 A187 W188 F189 P212 L216G181-A185 PolarHBondContact O-N 3.46Å; F182-A185 WeakPolarHBondContact O-CB 3.49Å; F182-A185 PolarHBondContact O-N 3.47Å; F182-A185 VanDerWaalsContact O-N 3.16Å; I183-A185 VanDerWaalsContact C-N 3.33Å; I183-A185 PolarHBondContact O-N 3.03Å; A185-A187 PolarHBondContact O-N 2.75Å; A185-W188 PolarHBondContact O-N 3.17Å; A185-F189 HydrophobicContact CB-CD2 4.41Å; A185-F189 HydrophobicContact CB-CE2 3.96Å; A185-F189 WeakPolarHBondContact O-CD2 3.37Å; A185-F189 WeakPolarHBondContact O-CG 3.24Å; A185-F189 PolarHBondContact O-N 3.14Å; A185-P212 HydrophobicContact CB-CB 4.27Å; A185-L216 HydrophobicContact CB-CD2 3.95Å; A185-L216 HydrophobicContact CB-CG 3.95Å
186L92.3Very high91.6Very high17 Ų1749.4 Ų49.49%0.08925%0.249CC..Hα-helixtrans-53.7-51174.1-84.4170.6000112.1L137 F141 F182 I183 W188 F189 I190 W196L137-L186 HydrophobicContact CB-CD2 3.57Å; L137-L186 HydrophobicContact CD1-CD2 4.39Å; F141-L186 HydrophobicContact CB-CD1 4.33Å; F141-L186 HydrophobicContact CD2-CD1 4.42Å; F141-L186 HydrophobicContact CG-CD1 4.27Å; F182-L186 HydrophobicContact CD1-CD1 3.63Å; F182-L186 HydrophobicContact CD1-CG 3.88Å; F182-L186 HydrophobicContact CE1-CD1 3.67Å; F182-L186 HydrophobicContact CE1-CD2 4.36Å; F182-L186 HydrophobicContact CE1-CG 3.77Å; F182-L186 PolarHBondContact O-N 3.11Å; I183-L186 WeakPolarHBondContact O-CB 3.49Å; I183-L186 PolarHBondContact O-N 3.48Å; L186-W188 VanDerWaalsContact C-N 3.33Å; L186-W188 PolarHBondContact O-N 2.81Å; L186-F189 PolarHBondContact O-N 3.4Å; L186-I190 WeakPolarHBondContact O-CD1 3.43Å; L186-I190 VanDerWaalsContact O-CG1 3.27Å; L186-I190 WeakPolarHBondContact O-CG1 3.4Å; L186-I190 PolarHBondContact O-N 3.15Å; L186-I190 VanDerWaalsContact O-N 3.14Å; L186-W196 HydrophobicContact CD2-CG 4.49Å
187A92.6Very high91.1Very high43 Ų4346.4 Ų46.436%0.35524%0.241SC..Hα-helixtrans-61.9-42.8-179.400000111.5I183 L184 A185 I190 L191I183-A187 WeakPolarHBondContact O-CB 3.4Å; I183-A187 PolarHBondContact O-N 3.24Å; L184-A187 PolarHBondContact O-N 2.64Å; A185-A187 PolarHBondContact O-N 2.75Å; A187-I190 PolarHBondContact O-N 3.14Å; A187-L191 WeakPolarHBondContact O-CG 3.37Å; A187-L191 PolarHBondContact O-N 3.44Å
188W91.2Very high90.2Very high41 Ų4144.7 Ų44.716%0.15523%0.234CC..Hα-helixtrans-63-44.7178.7-167.887.8000111.9L184 A185 L186 I190 L191 H192 S209 T211 P212L184-W188 WeakPolarHBondContact O-CB 3.49Å; L184-W188 PolarHBondContact O-N 2.76Å; A185-W188 PolarHBondContact O-N 3.17Å; L186-W188 VanDerWaalsContact C-N 3.33Å; L186-W188 PolarHBondContact O-N 2.81Å; W188-I190 PolarHBondContact O-N 3.25Å; W188-L191 PolarHBondContact O-N 3.07Å; W188-H192 AromaticContact CD1-CD2 3.69Å; W188-H192 AromaticContact CD1-NE2 3.87Å; W188-H192 AromaticContact CD2-CD2 3.61Å; W188-H192 AromaticContact CE2-CD2 3.08Å; W188-H192 AromaticContact CE2-CG 3.84Å; W188-H192 AromaticContact CE2-NE2 3.58Å; W188-H192 AromaticContact CG-CD2 3.92Å; W188-H192 HydrophobicContact CH2-CB 3.94Å; W188-H192 HydrophobicContact CZ2-CB 4.01Å; W188-H192 AromaticContact CZ2-CD2 3.33Å; W188-H192 WeakPolarHBondContact CZ2-CD2 3.11Å; W188-H192 AromaticContact CZ2-CG 3.61Å; W188-H192 AromaticContact CZ2-NE2 3.85Å; W188-H192 HydrophobicContact CZ3-CB 4.23Å; W188-H192 AromaticContact NE1-CD2 3.2Å; W188-H192 PolarHBondContact NE1-CD2 3.4Å; W188-H192 AromaticContact NE1-NE2 3.24Å; W188-H192 PolarHBondContact NE1-NE2 2.84Å; W188-H192 PolarHBondContact O-CD2 2.9Å; W188-H192 PolarHBondContact O-N 3.07Å; W188-H192 VanDerWaalsContact O-N 3.15Å; W188-S209 WeakPolarHBondContact CH2-OG 3.25Å; W188-S209 WeakPolarHBondContact CZ2-OG 3.41Å; W188-T211 VanDerWaalsContact CD1-OG1 3.31Å; W188-T211 PolarHBondContact NE1-OG1 3.11Å; W188-P212 HydrophobicContact CB-CB 4.36Å; W188-P212 HydrophobicContact CD2-CB 4.13Å; W188-P212 HydrophobicContact CD2-CG 3.78Å; W188-P212 HydrophobicContact CE3-CB 3.81Å; W188-P212 HydrophobicContact CE3-CG 3.46Å; W188-P212 VanDerWaalsContact CE3-CG 3.46Å; W188-P212 HydrophobicContact CG-CB 4.34Å; W188-P212 HydrophobicContact CG-CG 4.36Å; W188-P212 HydrophobicContact CZ3-CG 3.85Å
189F88.6Confident89.3Confident2 Ų248.1 Ų48.11%0.00925%0.25CC..Hα-helixtrans-65.7-36.6179.3-65.2-50.2000112.9L137 A185 L186 L191 S193 N194 M201 P212 L216 L266L137-F189 HydrophobicContact CD1-CD2 3.48Å; L137-F189 VanDerWaalsContact CD1-CD2 3.48Å; L137-F189 HydrophobicContact CD1-CE2 4Å; L137-F189 HydrophobicContact CD1-CG 4.33Å; A185-F189 HydrophobicContact CB-CD2 4.41Å; A185-F189 HydrophobicContact CB-CE2 3.96Å; A185-F189 WeakPolarHBondContact O-CD2 3.37Å; A185-F189 WeakPolarHBondContact O-CG 3.24Å; A185-F189 PolarHBondContact O-N 3.14Å; L186-F189 PolarHBondContact O-N 3.4Å; F189-L191 PolarHBondContact O-N 3.44Å; F189-S193 WeakPolarHBondContact O-CA 3.31Å; F189-S193 PolarHBondContact O-N 3Å; F189-S193 PolarHBondContact O-OG 3.46Å; F189-N194 PolarHBondContact O-N 3.03Å; F189-M201 HydrophobicContact CB-CE 4.41Å; F189-M201 HydrophobicContact CB-SD 4.04Å; F189-M201 HydrophobicContact CD1-CE 3.34Å; F189-M201 HydrophobicContact CD1-CG 4.21Å; F189-M201 HydrophobicContact CD1-SD 3.93Å; F189-M201 HydrophobicContact CD2-CE 3.44Å; F189-M201 VanDerWaalsContact CD2-CE 3.44Å; F189-M201 HydrophobicContact CD2-SD 3.98Å; F189-M201 HydrophobicContact CE1-CE 3.24Å; F189-M201 HydrophobicContact CE1-SD 4.42Å; F189-M201 HydrophobicContact CE2-CE 3.31Å; F189-M201 HydrophobicContact CE2-SD 4.43Å; F189-M201 HydrophobicContact CG-CE 3.46Å; F189-M201 VanDerWaalsContact CG-CE 3.46Å; F189-M201 HydrophobicContact CG-CG 4.47Å; F189-M201 HydrophobicContact CG-SD 3.72Å; F189-M201 HydrophobicContact CZ-CE 3.2Å; F189-P212 HydrophobicContact CD1-CB 4.5Å; F189-P212 HydrophobicContact CE1-CB 3.69Å; F189-P212 HydrophobicContact CE1-CG 3.94Å; F189-P212 HydrophobicContact CE2-CB 3.95Å; F189-P212 HydrophobicContact CZ-CB 3.4Å; F189-P212 HydrophobicContact CZ-CG 4.05Å; F189-L216 HydrophobicContact CE2-CD1 4.5Å; F189-L216 HydrophobicContact CZ-CD1 4.49Å; F189-L266 HydrophobicContact CE1-CD1 4.42Å; F189-L266 HydrophobicContact CZ-CD1 4.24Å
190I88.8Confident88.5Confident63 Ų6352.1 Ų52.132%0.32327%0.268SS..Hα-helixtrans-60.8-48.6174.9-61.9157.4000110.7L186 A187 W188 H192 N194 W196L186-I190 WeakPolarHBondContact O-CD1 3.43Å; L186-I190 VanDerWaalsContact O-CG1 3.27Å; L186-I190 WeakPolarHBondContact O-CG1 3.4Å; L186-I190 PolarHBondContact O-N 3.15Å; L186-I190 VanDerWaalsContact O-N 3.14Å; A187-I190 PolarHBondContact O-N 3.14Å; W188-I190 PolarHBondContact O-N 3.25Å; I190-H192 VanDerWaalsContact C-N 3.31Å; I190-H192 PolarHBondContact O-N 3.08Å; I190-N194 VanDerWaalsContact O-CA 3.3Å; I190-N194 WeakPolarHBondContact O-CA 3.38Å; I190-N194 PolarHBondContact O-N 3.02Å; I190-N194 VanDerWaalsContact O-N 3.17Å; I190-W196 HydrophobicContact CD1-CZ2 3.41Å; I190-W196 VanDerWaalsContact CD1-CZ2 3.41Å; I190-W196 HydrophobicContact CG1-CZ2 3.8Å
191L88.8Confident87.6Confident142 Ų14246.6 Ų46.674%0.74324%0.24SC*.Hα-helixtrans-66.3-33.9-173.6-69.9169.5000112.5A187 W188 F189A187-L191 WeakPolarHBondContact O-CG 3.37Å; A187-L191 PolarHBondContact O-N 3.44Å; W188-L191 PolarHBondContact O-N 3.07Å; F189-L191 PolarHBondContact O-N 3.44Å
192H85.9Confident86.7Confident123 Ų12348.4 Ų48.457%0.56926%0.255SS*.Hα-helixtrans-104.1-41.7-173.2-69.9-72.9000114.6W188 I190W188-H192 AromaticContact CD1-CD2 3.69Å; W188-H192 AromaticContact CD1-NE2 3.87Å; W188-H192 AromaticContact CD2-CD2 3.61Å; W188-H192 AromaticContact CE2-CD2 3.08Å; W188-H192 AromaticContact CE2-CG 3.84Å; W188-H192 AromaticContact CE2-NE2 3.58Å; W188-H192 AromaticContact CG-CD2 3.92Å; W188-H192 HydrophobicContact CH2-CB 3.94Å; W188-H192 HydrophobicContact CZ2-CB 4.01Å; W188-H192 AromaticContact CZ2-CD2 3.33Å; W188-H192 WeakPolarHBondContact CZ2-CD2 3.11Å; W188-H192 AromaticContact CZ2-CG 3.61Å; W188-H192 AromaticContact CZ2-NE2 3.85Å; W188-H192 HydrophobicContact CZ3-CB 4.23Å; W188-H192 AromaticContact NE1-CD2 3.2Å; W188-H192 PolarHBondContact NE1-CD2 3.4Å; W188-H192 AromaticContact NE1-NE2 3.24Å; W188-H192 PolarHBondContact NE1-NE2 2.84Å; W188-H192 PolarHBondContact O-CD2 2.9Å; W188-H192 PolarHBondContact O-N 3.07Å; W188-H192 VanDerWaalsContact O-N 3.15Å; I190-H192 VanDerWaalsContact C-N 3.31Å; I190-H192 PolarHBondContact O-N 3.08Å
193S82.9Confident85.8Confident8 Ų855.6 Ų55.66%0.05629%0.292CS..Hα-helixtrans-104.4-4.5-177.958.60000113.9F189 S195F189-S193 WeakPolarHBondContact O-CA 3.31Å; F189-S193 PolarHBondContact O-N 3Å; F189-S193 PolarHBondContact O-OG 3.46Å; S193-S195 PolarHBondContact O-N 3.41Å; S193-S195 PolarHBondContact O-OG 3.3Å; S193-S195 PolarHBondContact OG-O 3.13Å
194N87Confident84.6Confident77 Ų7756.3 Ų56.341%0.41230%0.296SS..SBendtrans4932.3179.7-161.912.8000112.8T73 T74 F189 I190T73-N194 WeakPolarHBondContact CB-ND2 3.38Å; T73-N194 PolarHBondContact OG1-ND2 3.49Å; T73-N194 PolarHBondContact OG1-OD1 3.15Å; T74-N194 WeakPolarHBondContact CG2-O 3.4Å; T74-N194 WeakPolarHBondContact CG2-OD1 3.34Å; F189-N194 PolarHBondContact O-N 3.03Å; I190-N194 VanDerWaalsContact O-CA 3.3Å; I190-N194 WeakPolarHBondContact O-CA 3.38Å; I190-N194 PolarHBondContact O-N 3.02Å; I190-N194 VanDerWaalsContact O-N 3.17Å
195S85.4Confident83.2Confident10 Ų1053.3 Ų53.37%0.0728%0.281CS..  trans-158.7150.4-173.451.90000110.4S193 Q200S193-S195 PolarHBondContact O-N 3.41Å; S193-S195 PolarHBondContact O-OG 3.3Å; S193-S195 PolarHBondContact OG-O 3.13Å; S195-Q200 VanDerWaalsContact CB-CD 3.44Å; S195-Q200 VanDerWaalsContact OG-CD 3.31Å; S195-Q200 PolarHBondContact OG-OE1 2.92Å
196W84.9Confident81.7Confident43 Ų4356.7 Ų56.716%0.16331%0.309CS..  trans-107.510.7175.9-74.9-25.2000113.2L76 L137 F138 L186 I190L76-W196 HydrophobicContact CD1-CE3 4.47Å; L76-W196 HydrophobicContact CD1-CH2 4.15Å; L76-W196 HydrophobicContact CD1-CZ3 3.57Å; L76-W196 HydrophobicContact CD2-CD2 4.22Å; L76-W196 HydrophobicContact CD2-CE3 3.14Å; L76-W196 HydrophobicContact CD2-CH2 4.07Å; L76-W196 HydrophobicContact CD2-CZ3 3.08Å; L76-W196 HydrophobicContact CG-CE3 4.4Å; L76-W196 HydrophobicContact CG-CZ3 3.94Å; L137-W196 HydrophobicContact CB-CB 4.19Å; L137-W196 PolarHBondContact N-O 3.14Å; F138-W196 HydrophobicContact CB-CD2 4.28Å; F138-W196 HydrophobicContact CB-CE3 3.52Å; F138-W196 HydrophobicContact CB-CZ3 3.7Å; F138-W196 HydrophobicContact CD2-CH2 4.42Å; F138-W196 HydrophobicContact CD2-CZ3 4.06Å; F138-W196 HydrophobicContact CG-CE3 4.25Å; F138-W196 AromaticContact CG-CZ3 3.92Å; F138-W196 HydrophobicContact CG-CZ3 3.92Å; L186-W196 HydrophobicContact CD2-CG 4.49Å; I190-W196 HydrophobicContact CD1-CZ2 3.41Å; I190-W196 VanDerWaalsContact CD1-CZ2 3.41Å; I190-W196 HydrophobicContact CG1-CZ2 3.8Å
197D85.3Confident80.4Confident47 Ų4763 Ų6325%0.25134%0.343SS..  trans-96118.7-174.4-69.313.9000108.7N136 Q199 Q200 M201N136-D197 PolarHBondContact OD1-OD1 3.05Å; D197-Q199 PolarHBondContact O-N 3Å; D197-Q199 VanDerWaalsContact O-N 3.1Å; D197-Q200 HydrophobicContact CB-CB 4.32Å; D197-Q200 PolarHBondContact O-N 3.22Å; D197-Q200 VanDerWaalsContact O-N 3.13Å; D197-M201 WeakPolarHBondContact O-CG 3.26Å; D197-M201 PolarHBondContact O-N 3.37Å; D197-M201 VanDerWaalsContact O-N 3.1Å
198P78.2Confident79.2Confident21 Ų2162 Ų6214%0.13633%0.333CS..Hα-helixtrans-60.1-28.2-175.223.4-33.5000112.4N135 A202 F263N135-P198 WeakPolarHBondContact O-CD 3.32Å; N135-P198 WeakPolarHBondContact O-CG 3.48Å; P198-A202 WeakPolarHBondContact O-CB 3.09Å; P198-A202 PolarHBondContact O-N 3.14Å; P198-F263 HydrophobicContact CB-CD1 4.41Å; P198-F263 HydrophobicContact CB-CE1 3.68Å; P198-F263 HydrophobicContact CB-CZ 4.17Å
199Q77.2Confident78.5Confident72 Ų7261.7 Ų61.734%0.33634%0.336SS..Hα-helixtrans-67.8-46.9177.6-66.7176.7-23.400112.2I62 D197 M201 A202 L203I62-Q199 VanDerWaalsContact CD1-NE2 3.25Å; I62-Q199 VanDerWaalsContact CD1-OE1 3.24Å; D197-Q199 PolarHBondContact O-N 3Å; D197-Q199 VanDerWaalsContact O-N 3.1Å; Q199-M201 VanDerWaalsContact C-N 3.27Å; Q199-M201 PolarHBondContact O-N 3.09Å; Q199-A202 PolarHBondContact O-N 3.35Å; Q199-L203 WeakPolarHBondContact O-CG 3.14Å; Q199-L203 PolarHBondContact O-N 2.86Å; Q199-L203 VanDerWaalsContact O-N 3.12Å
200Q78.8Confident78.5Confident87 Ų8765 Ų6541%0.40735%0.354SS..Hα-helixtrans-64.9-37.8177.2-174173-2.900110.5S195 D197 L203 L204S195-Q200 VanDerWaalsContact CB-CD 3.44Å; S195-Q200 VanDerWaalsContact OG-CD 3.31Å; S195-Q200 PolarHBondContact OG-OE1 2.92Å; D197-Q200 HydrophobicContact CB-CB 4.32Å; D197-Q200 PolarHBondContact O-N 3.22Å; D197-Q200 VanDerWaalsContact O-N 3.13Å; Q200-L203 PolarHBondContact O-N 2.73Å; Q200-L204 HydrophobicContact CG-CD1 3.75Å; Q200-L204 HydrophobicContact CG-CG 4.44Å; Q200-L204 WeakPolarHBondContact O-CB 3.12Å; Q200-L204 VanDerWaalsContact O-CG 3.27Å; Q200-L204 WeakPolarHBondContact O-CG 3.28Å; Q200-L204 PolarHBondContact O-N 3.1Å; Q200-L204 VanDerWaalsContact O-N 3.08Å
201M77.8Confident78.6Confident0 Ų065.1 Ų65.10%036%0.358CS..Hα-helixtrans-64-43.7176.2-67.5163.337.800112.8L137 F189 D197 Q199 L203 L204 N205 F263 L266L137-M201 HydrophobicContact CD1-CE 4.04Å; L137-M201 HydrophobicContact CD1-SD 3.77Å; F189-M201 HydrophobicContact CB-CE 4.41Å; F189-M201 HydrophobicContact CB-SD 4.04Å; F189-M201 HydrophobicContact CD1-CE 3.34Å; F189-M201 HydrophobicContact CD1-CG 4.21Å; F189-M201 HydrophobicContact CD1-SD 3.93Å; F189-M201 HydrophobicContact CD2-CE 3.44Å; F189-M201 VanDerWaalsContact CD2-CE 3.44Å; F189-M201 HydrophobicContact CD2-SD 3.98Å; F189-M201 HydrophobicContact CE1-CE 3.24Å; F189-M201 HydrophobicContact CE1-SD 4.42Å; F189-M201 HydrophobicContact CE2-CE 3.31Å; F189-M201 HydrophobicContact CE2-SD 4.43Å; F189-M201 HydrophobicContact CG-CE 3.46Å; F189-M201 VanDerWaalsContact CG-CE 3.46Å; F189-M201 HydrophobicContact CG-CG 4.47Å; F189-M201 HydrophobicContact CG-SD 3.72Å; F189-M201 HydrophobicContact CZ-CE 3.2Å; D197-M201 WeakPolarHBondContact O-CG 3.26Å; D197-M201 PolarHBondContact O-N 3.37Å; D197-M201 VanDerWaalsContact O-N 3.1Å; Q199-M201 VanDerWaalsContact C-N 3.27Å; Q199-M201 PolarHBondContact O-N 3.09Å; M201-L203 VanDerWaalsContact C-N 3.33Å; M201-L203 PolarHBondContact O-N 2.75Å; M201-L204 PolarHBondContact O-N 3.18Å; M201-N205 WeakPolarHBondContact O-CB 3.41Å; M201-N205 PolarHBondContact O-N 2.98Å; M201-N205 VanDerWaalsContact O-N 3.12Å; M201-F263 HydrophobicContact CE-CD1 4.38Å; M201-F263 HydrophobicContact CE-CE1 3.71Å; M201-L266 HydrophobicContact CE-CD1 3.83Å
202A75.8Confident78.7Confident40 Ų4058.4 Ų58.433%0.33132%0.323SS..Hα-helixtrans-65.3-35.9177.800000112.5P198 Q199 P265 L266P198-A202 WeakPolarHBondContact O-CB 3.09Å; P198-A202 PolarHBondContact O-N 3.14Å; Q199-A202 PolarHBondContact O-N 3.35Å; A202-P265 HydrophobicContact CB-CB 4.4Å; A202-L266 HydrophobicContact CB-CD2 4.4Å
203L76.7Confident79Confident150 Ų15052.9 Ų52.979%0.78530%0.297SS*.Hα-helixtrans-71.8-37.8178.1-71.9166000113Q199 Q200 M201Q199-L203 WeakPolarHBondContact O-CG 3.14Å; Q199-L203 PolarHBondContact O-N 2.86Å; Q199-L203 VanDerWaalsContact O-N 3.12Å; Q200-L203 PolarHBondContact O-N 2.73Å; M201-L203 VanDerWaalsContact C-N 3.33Å; M201-L203 PolarHBondContact O-N 2.75Å
204L72.1Confident79.6Confident102 Ų10255.6 Ų55.653%0.53431%0.311SS..Hα-helixtrans-82.2-30.9-175.5-69.4170.6000113.2Q200 M201Q200-L204 HydrophobicContact CG-CD1 3.75Å; Q200-L204 HydrophobicContact CG-CG 4.44Å; Q200-L204 WeakPolarHBondContact O-CB 3.12Å; Q200-L204 VanDerWaalsContact O-CG 3.27Å; Q200-L204 WeakPolarHBondContact O-CG 3.28Å; Q200-L204 PolarHBondContact O-N 3.1Å; Q200-L204 VanDerWaalsContact O-N 3.08Å; M201-L204 PolarHBondContact O-N 3.18Å
205N65.3Low80Confident30 Ų3052 Ų5216%0.1629%0.292CS..  trans-104.776.9-172.6-71.5-25000112.2M201 N207 L266M201-N205 WeakPolarHBondContact O-CB 3.41Å; M201-N205 PolarHBondContact O-N 2.98Å; M201-N205 VanDerWaalsContact O-N 3.12Å; N205-N207 PolarHBondContact O-N 3.04Å; N205-L266 HydrophobicContact CB-CD2 4.45Å
206A59.3Low80.4Confident73 Ų7351.6 Ų51.660%0.60329%0.289SS*.SBendtrans-58.3-34.1169.500000112N269A206-N269 PolarHBondContact O-ND2 3.11Å
207N65.8Low80.9Confident150 Ų15050.5 Ų50.580%0.80229%0.286SS*.SBendtrans-117.989.2172.7-69.7-15000109.7N205 S209N205-N207 PolarHBondContact O-N 3.04Å; N207-S209 PolarHBondContact O-N 3Å
208P67.3Low81.4Confident21 Ų2151.4 Ų51.414%0.13629%0.291CS..  trans-64.5135.1179.826-31.3000109.8L213 L266 N269P208-L213 HydrophobicContact CB-CD1 3.98Å; P208-L213 HydrophobicContact CG-CD1 4.09Å; P208-L266 VanDerWaalsContact CG-O 3.3Å; P208-L266 WeakPolarHBondContact CG-O 3.35Å; P208-N269 HydrophobicContact CG-CB 4.07Å
209S77.6Confident82.3Confident34 Ų3450.4 Ų50.424%0.23829%0.285CS..  trans-65.8151170.869.40000109.8W188 N207 T211 P212W188-S209 WeakPolarHBondContact CH2-OG 3.25Å; W188-S209 WeakPolarHBondContact CZ2-OG 3.41Å; N207-S209 PolarHBondContact O-N 3Å; S209-T211 VanDerWaalsContact C-N 3.28Å; S209-T211 PolarHBondContact O-N 2.84Å; S209-T211 PolarHBondContact OG-OG1 3.11Å; S209-P212 VanDerWaalsContact O-CD 3.32Å; S209-P212 WeakPolarHBondContact O-CD 3.49Å; S209-P212 WeakPolarHBondContact O-CG 3.1Å; S209-P212 WeakPolarHBondContact OG-CD 3.3Å
210L88.6Confident83.1Confident71 Ų7147 Ų4737%0.37227%0.269SS..Hα-helixtrans-67.2-30.8-177.5-160.688.6000112.7L213 L214 L272 I273L210-L213 PolarHBondContact O-N 2.99Å; L210-L214 HydrophobicContact CD2-CD1 3.44Å; L210-L214 VanDerWaalsContact CD2-CD1 3.44Å; L210-L214 HydrophobicContact CD2-CG 4.06Å; L210-L214 HydrophobicContact CG-CD1 3.95Å; L210-L214 HydrophobicContact CG-CG 4.07Å; L210-L214 WeakPolarHBondContact O-CG 3.15Å; L210-L214 PolarHBondContact O-N 3.36Å; L210-L272 HydrophobicContact CD1-CB 4.01Å; L210-L272 HydrophobicContact CD1-CD2 3.4Å; L210-L272 HydrophobicContact CD1-CG 4.32Å; L210-L272 HydrophobicContact CD2-CD2 3.71Å; L210-L272 HydrophobicContact CG-CD2 4.11Å; L210-I273 HydrophobicContact CD1-CD1 4.25Å; L210-I273 HydrophobicContact CD1-CG1 4.26Å; L210-I273 HydrophobicContact CG-CD1 4.42Å
211T90.6Very high83.9Confident67 Ų6743.1 Ų43.141%0.41125%0.252SS..Hα-helixtrans-62.2-50.9-169.345.80000114.9W188 S209 L213 L214 G215W188-T211 VanDerWaalsContact CD1-OG1 3.31Å; W188-T211 PolarHBondContact NE1-OG1 3.11Å; S209-T211 VanDerWaalsContact C-N 3.28Å; S209-T211 PolarHBondContact O-N 2.84Å; S209-T211 PolarHBondContact OG-OG1 3.11Å; T211-L213 VanDerWaalsContact C-N 3.32Å; T211-L213 PolarHBondContact O-N 2.9Å; T211-L214 PolarHBondContact O-N 3.01Å; T211-G215 PolarHBondContact O-N 3.5Å
212P91.3Very high84.7Confident1 Ų143.1 Ų43.11%0.00625%0.252CS..Hα-helixtrans-65-36.617729.2-38.5000111.8A185 W188 F189 S209 G215 L216A185-P212 HydrophobicContact CB-CB 4.27Å; W188-P212 HydrophobicContact CB-CB 4.36Å; W188-P212 HydrophobicContact CD2-CB 4.13Å; W188-P212 HydrophobicContact CD2-CG 3.78Å; W188-P212 HydrophobicContact CE3-CB 3.81Å; W188-P212 HydrophobicContact CE3-CG 3.46Å; W188-P212 VanDerWaalsContact CE3-CG 3.46Å; W188-P212 HydrophobicContact CG-CB 4.34Å; W188-P212 HydrophobicContact CG-CG 4.36Å; W188-P212 HydrophobicContact CZ3-CG 3.85Å; F189-P212 HydrophobicContact CD1-CB 4.5Å; F189-P212 HydrophobicContact CE1-CB 3.69Å; F189-P212 HydrophobicContact CE1-CG 3.94Å; F189-P212 HydrophobicContact CE2-CB 3.95Å; F189-P212 HydrophobicContact CZ-CB 3.4Å; F189-P212 HydrophobicContact CZ-CG 4.05Å; S209-P212 VanDerWaalsContact O-CD 3.32Å; S209-P212 WeakPolarHBondContact O-CD 3.49Å; S209-P212 WeakPolarHBondContact O-CG 3.1Å; S209-P212 WeakPolarHBondContact OG-CD 3.3Å; P212-G215 WeakPolarHBondContact O-CA 3.41Å; P212-G215 PolarHBondContact O-N 3.47Å; P212-L216 VanDerWaalsContact O-CG 3.3Å; P212-L216 WeakPolarHBondContact O-CG 3.39Å; P212-L216 PolarHBondContact O-N 3.48Å
213L91.8Very high85.5Confident6 Ų641.3 Ų41.33%0.03124%0.236CC..Hα-helixtrans-69-38.3-179.6-67.6171.6000111.9P208 L210 T211 G215 L216 L217 L266 S270 I273P208-L213 HydrophobicContact CB-CD1 3.98Å; P208-L213 HydrophobicContact CG-CD1 4.09Å; L210-L213 PolarHBondContact O-N 2.99Å; T211-L213 VanDerWaalsContact C-N 3.32Å; T211-L213 PolarHBondContact O-N 2.9Å; L213-G215 VanDerWaalsContact C-N 3.33Å; L213-L216 HydrophobicContact CD2-CD1 4.38Å; L213-L216 PolarHBondContact O-N 3.41Å; L213-L217 WeakPolarHBondContact O-CB 3.31Å; L213-L217 PolarHBondContact O-N 3.35Å; L213-L266 HydrophobicContact CD2-CB 4.01Å; L213-S270 WeakPolarHBondContact CD1-OG 3.29Å; L213-I273 HydrophobicContact CB-CD1 3.68Å; L213-I273 HydrophobicContact CB-CG1 3.68Å; L213-I273 HydrophobicContact CB-CG2 4.42Å; L213-I273 HydrophobicContact CD1-CG1 4.02Å; L213-I273 HydrophobicContact CG-CG1 4.48Å
214L94.4Very high86.3Confident66 Ų6634.2 Ų34.235%0.34620%0.199SC..Hα-helixtrans-63.2-39.3169.3-75.9176.9000112L210 T211 L217 L218 I273 L276L210-L214 HydrophobicContact CD2-CD1 3.44Å; L210-L214 VanDerWaalsContact CD2-CD1 3.44Å; L210-L214 HydrophobicContact CD2-CG 4.06Å; L210-L214 HydrophobicContact CG-CD1 3.95Å; L210-L214 HydrophobicContact CG-CG 4.07Å; L210-L214 WeakPolarHBondContact O-CG 3.15Å; L210-L214 PolarHBondContact O-N 3.36Å; T211-L214 PolarHBondContact O-N 3.01Å; L214-L217 PolarHBondContact O-N 3.13Å; L214-L218 PolarHBondContact O-N 3.34Å; L214-I273 HydrophobicContact CD2-CD1 3.82Å; L214-I273 HydrophobicContact CG-CD1 3.96Å; L214-L276 HydrophobicContact CD2-CD1 3.81Å
215G95.1Very high87.2Confident2 Ų229.3 Ų29.32%0.02117%0.173CC..Hα-helixtrans-60.8-45.617400000112.5G181 T211 P212 L213 L217 L218 A219G181-G215 CarbonylContact C-O 3.52Å; G181-G215 VanDerWaalsContact CA-O 3.31Å; G181-G215 WeakPolarHBondContact CA-O 3.17Å; G181-G215 CarbonylContact O-C 3.47Å; G181-G215 VanDerWaalsContact O-CA 3.25Å; G181-G215 WeakPolarHBondContact O-CA 3.31Å; T211-G215 PolarHBondContact O-N 3.5Å; P212-G215 WeakPolarHBondContact O-CA 3.41Å; P212-G215 PolarHBondContact O-N 3.47Å; L213-G215 VanDerWaalsContact C-N 3.33Å; G215-L217 VanDerWaalsContact C-N 3.35Å; G215-L218 PolarHBondContact O-N 2.96Å; G215-A219 WeakPolarHBondContact O-CB 3.44Å; G215-A219 PolarHBondContact O-N 3.37Å
216L94.5Very high88.6Confident0 Ų027.9 Ų27.90%017%0.166CC..Hα-helixtrans-64.8-37.3175.1-66.8170.7000111.9A185 F189 P212 L213 A219 A220 L259 L260 F263A185-L216 HydrophobicContact CB-CD2 3.95Å; A185-L216 HydrophobicContact CB-CG 3.95Å; F189-L216 HydrophobicContact CE2-CD1 4.5Å; F189-L216 HydrophobicContact CZ-CD1 4.49Å; P212-L216 VanDerWaalsContact O-CG 3.3Å; P212-L216 WeakPolarHBondContact O-CG 3.39Å; P212-L216 PolarHBondContact O-N 3.48Å; L213-L216 HydrophobicContact CD2-CD1 4.38Å; L213-L216 PolarHBondContact O-N 3.41Å; L216-A219 PolarHBondContact O-N 3.24Å; L216-A220 WeakPolarHBondContact O-CB 3.41Å; L216-A220 PolarHBondContact O-N 3.41Å; L216-L259 HydrophobicContact CB-CD2 3.83Å; L216-L259 HydrophobicContact CD2-CD1 4.21Å; L216-L259 HydrophobicContact CD2-CD2 3.62Å; L216-L259 HydrophobicContact CD2-CG 4.21Å; L216-L259 HydrophobicContact CG-CD2 4.21Å; L216-L260 HydrophobicContact CB-CD2 4.31Å; L216-F263 HydrophobicContact CD1-CB 4.06Å; L216-F263 HydrophobicContact CD1-CD1 4.26Å; L216-F263 HydrophobicContact CD1-CD2 3.88Å; L216-F263 HydrophobicContact CD1-CG 3.78Å; L216-F263 HydrophobicContact CD2-CD2 4.12Å; L216-F263 HydrophobicContact CD2-CE2 4.22Å
217L95.6Very high90.2Very high20 Ų2027.5 Ų27.511%0.10515%0.153CC..Hα-helixtrans-64.6-42.1174.2-173153.1000111.5L213 L214 G215 A220 A221 L276 T277 M314L213-L217 WeakPolarHBondContact O-CB 3.31Å; L213-L217 PolarHBondContact O-N 3.35Å; L214-L217 PolarHBondContact O-N 3.13Å; G215-L217 VanDerWaalsContact C-N 3.35Å; L217-A220 PolarHBondContact O-N 3.46Å; L217-A221 VanDerWaalsContact O-CB 3.29Å; L217-A221 WeakPolarHBondContact O-CB 3.34Å; L217-A221 PolarHBondContact O-N 3.32Å; L217-L276 HydrophobicContact CD1-CB 3.99Å; L217-T277 HydrophobicContact CD1-CG2 3.55Å; L217-T277 HydrophobicContact CG-CG2 4.34Å; L217-M314 HydrophobicContact CG-CE 4.27Å
218L96.5Very high91.4Very high67 Ų6723 Ų2335%0.35114%0.142SC..Hα-helixtrans-63.8-43.6174.5-170.382.6000111.3I177 L214 G215 A220 A221 G222I177-L218 WeakPolarHBondContact O-CD2 3.47Å; L214-L218 PolarHBondContact O-N 3.34Å; G215-L218 PolarHBondContact O-N 2.96Å; L218-A220 PolarHBondContact O-N 2.73Å; L218-A221 PolarHBondContact O-N 3.22Å; L218-G222 PolarHBondContact O-N 2.92Å
219A96.1Very high92.7Very high0 Ų023 Ų230%014%0.141CC..Hα-helixtrans-59.3-47.5175.800000111.2W144 G178 F182 G215 L216 A221 G222 K223W144-A219 HydrophobicContact CH2-CB 4.14Å; W144-A219 WeakPolarHBondContact CH2-O 3.45Å; W144-A219 HydrophobicContact CZ2-CB 3.88Å; W144-A219 VanDerWaalsContact CZ2-O 3.29Å; W144-A219 WeakPolarHBondContact CZ2-O 3.18Å; G178-A219 WeakPolarHBondContact O-CA 3.28Å; G178-A219 WeakPolarHBondContact O-CB 3.34Å; F182-A219 HydrophobicContact CB-CB 4Å; F182-A219 HydrophobicContact CD2-CB 4.24Å; G215-A219 WeakPolarHBondContact O-CB 3.44Å; G215-A219 PolarHBondContact O-N 3.37Å; L216-A219 PolarHBondContact O-N 3.24Å; A219-A221 PolarHBondContact O-N 3.03Å; A219-G222 PolarHBondContact O-N 2.97Å; A219-K223 PolarHBondContact O-N 3.37Å
220A95.3Very high93.4Very high0 Ų023.3 Ų23.30%014%0.138CC..Hα-helixtrans-61.1-44.4175.400000111.8L216 L217 L218 G222 S224 G256 L260L216-A220 WeakPolarHBondContact O-CB 3.41Å; L216-A220 PolarHBondContact O-N 3.41Å; L217-A220 PolarHBondContact O-N 3.46Å; L218-A220 PolarHBondContact O-N 2.73Å; A220-G222 VanDerWaalsContact C-N 3.32Å; A220-G222 PolarHBondContact O-N 3.48Å; A220-S224 VanDerWaalsContact O-CB 3.28Å; A220-S224 WeakPolarHBondContact O-CB 3.49Å; A220-S224 PolarHBondContact O-N 2.99Å; A220-S224 PolarHBondContact O-OG 3.49Å; A220-G256 VanDerWaalsContact CB-O 3.28Å; A220-G256 WeakPolarHBondContact CB-O 3.48Å; A220-L260 HydrophobicContact CB-CD1 3.51Å; A220-L260 HydrophobicContact CB-CD2 4.23Å; A220-L260 HydrophobicContact CB-CG 3.68Å
221A95.4Very high93.6Very high6 Ų621.8 Ų21.85%0.0513%0.133CC..Hα-helixtrans-61-39.5179.500000112.7L217 L218 A219 A225 Q226 L229 L280L217-A221 VanDerWaalsContact O-CB 3.29Å; L217-A221 WeakPolarHBondContact O-CB 3.34Å; L217-A221 PolarHBondContact O-N 3.32Å; L218-A221 PolarHBondContact O-N 3.22Å; A219-A221 PolarHBondContact O-N 3.03Å; A221-A225 PolarHBondContact O-N 3.25Å; A221-Q226 HydrophobicContact CB-CB 4.05Å; A221-Q226 HydrophobicContact CB-CG 4.37Å; A221-Q226 PolarHBondContact O-N 3.02Å; A221-L229 HydrophobicContact CB-CD1 4.5Å; A221-L280 HydrophobicContact CB-CD2 4.37Å
222G94.1Very high93.7Very high0 Ų018.6 Ų18.60%011%0.113CC..Hα-helixtrans-64.9-57.3176.900000112.7L218 A219 A220 W232L218-G222 PolarHBondContact O-N 2.92Å; A219-G222 PolarHBondContact O-N 2.97Å; A220-G222 VanDerWaalsContact C-N 3.32Å; A220-G222 PolarHBondContact O-N 3.48Å; G222-W232 PolarHBondContact O-NE1 2.93Å; G222-W232 VanDerWaalsContact O-NE1 3.11Å
223K93.2Very high93.7Very high2 Ų218.6 Ų18.61%0.00911%0.113CC..Hα-helixtrans-71.7-29.1-177.7-78.5-71.7176.9172.20114.1W144 G148 N175 A219 A225 W232 M252 V253W144-K223 HydrophobicContact CD2-CG 4.11Å; W144-K223 VanDerWaalsContact CE2-CG 3.43Å; W144-K223 HydrophobicContact CE3-CG 4.37Å; W144-K223 HydrophobicContact CH2-CB 3.68Å; W144-K223 HydrophobicContact CH2-CG 3.42Å; W144-K223 VanDerWaalsContact CH2-CG 3.42Å; W144-K223 HydrophobicContact CZ2-CB 3.81Å; W144-K223 HydrophobicContact CZ2-CD 4.29Å; W144-K223 HydrophobicContact CZ2-CG 3.08Å; W144-K223 HydrophobicContact CZ3-CB 4.36Å; W144-K223 HydrophobicContact CZ3-CG 4.05Å; W144-K223 PolarHBondContact O-NZ 3.25Å; G148-K223 VanDerWaalsContact CA-NZ 3.3Å; N175-K223 PolarHBondContact ND2-NZ 3.32Å; N175-K223 VanDerWaalsContact OD1-CD 3.31Å; N175-K223 WeakPolarHBondContact OD1-CD 3.42Å; A219-K223 PolarHBondContact O-N 3.37Å; K223-A225 VanDerWaalsContact C-N 3.34Å; K223-W232 VanDerWaalsContact O-CZ2 3.25Å; K223-W232 WeakPolarHBondContact O-CZ2 3.4Å; K223-M252 HydrophobicContact CD-CE 4.33Å; K223-V253 WeakPolarHBondContact O-CA 3.28Å
224S92.8Very high93.7Very high0 Ų019.1 Ų19.10%012%0.117CC..THydrogen-bonded Turntrans-93.211.2-179.5690000114.4A220 Q226 V253A220-S224 VanDerWaalsContact O-CB 3.28Å; A220-S224 WeakPolarHBondContact O-CB 3.49Å; A220-S224 PolarHBondContact O-N 2.99Å; A220-S224 PolarHBondContact O-OG 3.49Å; S224-Q226 VanDerWaalsContact C-N 3.33Å; S224-Q226 PolarHBondContact O-N 2.65Å; S224-Q226 VanDerWaalsContact OG-CG 3.26Å; S224-Q226 WeakPolarHBondContact OG-CG 3.35Å; S224-Q226 PolarHBondContact OG-NE2 2.82Å; S224-Q226 VanDerWaalsContact OG-NE2 3.11Å; S224-V253 WeakPolarHBondContact CA-O 3.38Å; S224-V253 VanDerWaalsContact CB-O 3.23Å; S224-V253 WeakPolarHBondContact CB-O 3.41Å
225A90.9Very high93.5Very high0 Ų017.2 Ų17.20%011%0.109CC..THydrogen-bonded Turntrans53.346.5177.300000113.2A221 K223 H230 W232 L233 V253 S307A221-A225 PolarHBondContact O-N 3.25Å; K223-A225 VanDerWaalsContact C-N 3.34Å; A225-H230 WeakPolarHBondContact O-CB 3.4Å; A225-W232 HydrophobicContact CB-CZ2 3.94Å; A225-L233 HydrophobicContact CB-CB 3.7Å; A225-L233 HydrophobicContact CB-CD1 3.49Å; A225-L233 VanDerWaalsContact CB-CD1 3.49Å; A225-L233 HydrophobicContact CB-CG 4.24Å; A225-V253 HydrophobicContact CB-CG1 4.44Å; A225-S307 PolarHBondContact O-OG 2.91Å
226Q94.8Very high93.3Very high0 Ų017.2 Ų17.20%011%0.109CC..  trans-78.6176.7176.9-56.7-69.7-23.500111.1A221 S224 G228 L229 H230 L280 T284 L310A221-Q226 HydrophobicContact CB-CB 4.05Å; A221-Q226 HydrophobicContact CB-CG 4.37Å; A221-Q226 PolarHBondContact O-N 3.02Å; S224-Q226 VanDerWaalsContact C-N 3.33Å; S224-Q226 PolarHBondContact O-N 2.65Å; S224-Q226 VanDerWaalsContact OG-CG 3.26Å; S224-Q226 WeakPolarHBondContact OG-CG 3.35Å; S224-Q226 PolarHBondContact OG-NE2 2.82Å; S224-Q226 VanDerWaalsContact OG-NE2 3.11Å; Q226-G228 PolarHBondContact O-N 3.02Å; Q226-L229 CarbonylContact O-C 3.27Å; Q226-L229 VanDerWaalsContact O-C 3.27Å; Q226-L229 PolarHBondContact O-N 3.45Å; Q226-H230 PolarHBondContact O-N 2.91Å; Q226-L280 HydrophobicContact CB-CD2 3.55Å; Q226-L280 HydrophobicContact CB-CG 4.2Å; Q226-L280 HydrophobicContact CG-CD2 3.65Å; Q226-T284 HydrophobicContact CB-CG2 3.94Å; Q226-T284 VanDerWaalsContact OE1-CG2 3.26Å; Q226-T284 PolarHBondContact OE1-OG1 2.76Å; Q226-L310 PolarHBondContact NE2-O 2.99Å
227L92.2Very high93.2Very high64 Ų6417.9 Ų17.934%0.33511%0.112SC..THydrogen-bonded Turntrans-59.6141.3-173-160.484000109.5L229 I283 T284 F287L227-L229 PolarHBondContact O-N 2.87Å; L227-I283 HydrophobicContact CD1-CG2 4.04Å; L227-I283 HydrophobicContact CD2-CB 4.24Å; L227-I283 HydrophobicContact CD2-CG2 3.44Å; L227-I283 VanDerWaalsContact CD2-CG2 3.44Å; L227-I283 HydrophobicContact CG-CG2 4.28Å; L227-T284 HydrophobicContact CB-CG2 3.52Å; L227-F287 HydrophobicContact CD1-CB 3.86Å; L227-F287 HydrophobicContact CD1-CD1 4.02Å; L227-F287 HydrophobicContact CD1-CD2 4.28Å; L227-F287 HydrophobicContact CD1-CG 3.77Å
228G92.3Very high93Very high55 Ų5520 Ų2057%0.56712%0.121SC*.THydrogen-bonded Turntrans87.6-38.1-170.400000113.8Q226Q226-G228 PolarHBondContact O-N 3.02Å
229L93.3Very high92.7Very high23 Ų2316.8 Ų16.812%0.1211%0.105CC..SBendtrans-119.620.5-178.1-51.4174.5000112.8Y174 I177 A221 Q226 L227 P231 W232Y174-L229 HydrophobicContact CD1-CB 3.76Å; Y174-L229 HydrophobicContact CD1-CD2 3.5Å; Y174-L229 HydrophobicContact CD1-CG 4.19Å; Y174-L229 HydrophobicContact CE1-CB 4.33Å; Y174-L229 HydrophobicContact CE1-CD2 3.85Å; I177-L229 HydrophobicContact CD1-CD2 4.08Å; I177-L229 HydrophobicContact CG2-CD1 4.09Å; I177-L229 HydrophobicContact CG2-CD2 4.07Å; A221-L229 HydrophobicContact CB-CD1 4.5Å; Q226-L229 CarbonylContact O-C 3.27Å; Q226-L229 VanDerWaalsContact O-C 3.27Å; Q226-L229 PolarHBondContact O-N 3.45Å; L227-L229 PolarHBondContact O-N 2.87Å; L229-P231 VanDerWaalsContact C-CD 3.45Å; L229-W232 PolarHBondContact O-NE1 2.86Å; L229-W232 VanDerWaalsContact O-NE1 3.15Å
230H92.7Very high92.6Very high39 Ų3916.8 Ų16.818%0.18111%0.105CC..  trans-76.1-27.5-179.369.5-86.8000117.1A225 Q226 W232 L233 P234 F287A225-H230 WeakPolarHBondContact O-CB 3.4Å; Q226-H230 PolarHBondContact O-N 2.91Å; H230-W232 PolarHBondContact O-N 2.88Å; H230-L233 PolarHBondContact O-N 2.96Å; H230-P234 VanDerWaalsContact O-CD 3.3Å; H230-P234 WeakPolarHBondContact O-CD 3.23Å; H230-F287 AromaticContact CD2-CE1 3.53Å; H230-F287 AromaticContact CE1-CE1 3.55Å; H230-F287 AromaticContact CE1-CZ 3.73Å; H230-F287 AromaticContact CG-CE1 3.98Å; H230-F287 AromaticContact ND1-CE1 3.99Å; H230-F287 AromaticContact NE2-CE1 3.25Å; H230-F287 VanDerWaalsContact NE2-CE1 3.25Å; H230-F287 WeakPolarHBondContact NE2-CE1 3.38Å; H230-F287 AromaticContact NE2-CZ 3.48Å; H230-F287 WeakPolarHBondContact NE2-CZ 3.4Å
231P93.3Very high92.5Very high40 Ų4018.5 Ų18.526%0.2612%0.115SC..THydrogen-bonded Turntrans-62.2-20.8-166.9-29.237.8000116.3Y174 L229 L233 P234 S235Y174-P231 HydrophobicContact CE2-CB 4.47Å; L229-P231 VanDerWaalsContact C-CD 3.45Å; P231-L233 VanDerWaalsContact C-N 3.31Å; P231-L233 PolarHBondContact O-N 3.47Å; P231-P234 WeakPolarHBondContact O-CD 3.38Å; P231-S235 PolarHBondContact O-OG 3.21Å
232W92.5Very high92.4Very high0 Ų018.2 Ų18.20%011%0.113CC..Hα-helixtrans-71.6-25-178.470.4-93.9000113.7Q170 A171 Y174 G222 K223 A225 L229 H230 S235 A236 M252 V253Q170-W232 HydrophobicContact CG-CB 4.3Å; A171-W232 HydrophobicContact CB-CB 4.32Å; A171-W232 HydrophobicContact CB-CE3 3.99Å; Y174-W232 HydrophobicContact CD2-CB 3.64Å; Y174-W232 AromaticContact CD2-CD1 3.95Å; Y174-W232 HydrophobicContact CD2-CG 4.15Å; Y174-W232 HydrophobicContact CE2-CB 4.26Å; Y174-W232 HydrophobicContact CG-CB 4.31Å; Y174-W232 AromaticContact CG-CD1 3.76Å; Y174-W232 HydrophobicContact CG-CG 4.36Å; G222-W232 PolarHBondContact O-NE1 2.93Å; G222-W232 VanDerWaalsContact O-NE1 3.11Å; K223-W232 VanDerWaalsContact O-CZ2 3.25Å; K223-W232 WeakPolarHBondContact O-CZ2 3.4Å; A225-W232 HydrophobicContact CB-CZ2 3.94Å; L229-W232 PolarHBondContact O-NE1 2.86Å; L229-W232 VanDerWaalsContact O-NE1 3.15Å; H230-W232 PolarHBondContact O-N 2.88Å; W232-S235 WeakPolarHBondContact CA-OG 3.41Å; W232-S235 PolarHBondContact O-N 3.01Å; W232-S235 PolarHBondContact O-OG 2.82Å; W232-S235 VanDerWaalsContact O-OG 3.1Å; W232-A236 WeakPolarHBondContact O-CB 3.26Å; W232-A236 PolarHBondContact O-N 3.34Å; W232-M252 HydrophobicContact CE3-CE 4.43Å; W232-M252 HydrophobicContact CH2-CE 3.62Å; W232-M252 HydrophobicContact CH2-CG 4.27Å; W232-M252 HydrophobicContact CH2-SD 3.93Å; W232-M252 HydrophobicContact CZ2-CE 4.45Å; W232-M252 HydrophobicContact CZ3-CE 3.61Å; W232-M252 HydrophobicContact CZ3-SD 3.86Å; W232-V253 HydrophobicContact CH2-CG2 3.96Å
233L91.8Very high92.3Very high1 Ų118.4 Ų18.41%0.00511%0.114CC..Hα-helixtrans-73-46.8-175.6-167.5167.1000111.1A225 H230 P231 S235 A236 M237 V253 A303 L310A225-L233 HydrophobicContact CB-CB 3.7Å; A225-L233 HydrophobicContact CB-CD1 3.49Å; A225-L233 VanDerWaalsContact CB-CD1 3.49Å; A225-L233 HydrophobicContact CB-CG 4.24Å; H230-L233 PolarHBondContact O-N 2.96Å; P231-L233 VanDerWaalsContact C-N 3.31Å; P231-L233 PolarHBondContact O-N 3.47Å; L233-S235 VanDerWaalsContact C-N 3.32Å; L233-S235 PolarHBondContact O-N 3.15Å; L233-A236 PolarHBondContact O-N 3.02Å; L233-M237 HydrophobicContact CD2-CE 4.05Å; L233-M237 WeakPolarHBondContact O-CE 3.47Å; L233-V253 HydrophobicContact CD1-CB 4.45Å; L233-V253 HydrophobicContact CD1-CG1 3.71Å; L233-V253 HydrophobicContact CD1-CG2 3.86Å; L233-V253 HydrophobicContact CG-CG2 4.46Å; L233-A303 HydrophobicContact CD2-CB 3.49Å; L233-A303 VanDerWaalsContact CD2-CB 3.49Å; L233-A303 WeakPolarHBondContact CD2-O 3.44Å; L233-L310 HydrophobicContact CD1-CD1 4.45Å
234P91.6Very high92.1Very high17 Ų1719 Ų1911%0.1112%0.118CC..Hα-helixtrans-62.9-34.1171.2-23.734.4000113.8H230 P231 M237 F304H230-P234 VanDerWaalsContact O-CD 3.3Å; H230-P234 WeakPolarHBondContact O-CD 3.23Å; P231-P234 WeakPolarHBondContact O-CD 3.38Å; P234-M237 WeakPolarHBondContact O-CB 3.43Å; P234-M237 VanDerWaalsContact O-CG 3.31Å; P234-M237 WeakPolarHBondContact O-CG 3.3Å; P234-M237 PolarHBondContact O-N 3.23Å; P234-F304 HydrophobicContact CB-CE2 4.18Å; P234-F304 HydrophobicContact CB-CZ 3.98Å; P234-F304 HydrophobicContact CG-CD1 4.21Å; P234-F304 HydrophobicContact CG-CE1 3.56Å; P234-F304 HydrophobicContact CG-CE2 3.96Å; P234-F304 HydrophobicContact CG-CZ 3.41Å; P234-F304 VanDerWaalsContact CG-CZ 3.41Å
235S91Very high92Very high26 Ų2621.1 Ų21.118%0.18214%0.136CC..Hα-helixtrans-73-29.1179.168.50000112.7A167 Q170 P231 W232 L233 M237 E238A167-S235 VanDerWaalsContact CB-O 3.29Å; A167-S235 WeakPolarHBondContact CB-O 3.45Å; Q170-S235 VanDerWaalsContact OE1-CB 3.3Å; Q170-S235 PolarHBondContact OE1-OG 3.09Å; P231-S235 PolarHBondContact O-OG 3.21Å; W232-S235 WeakPolarHBondContact CA-OG 3.41Å; W232-S235 PolarHBondContact O-N 3.01Å; W232-S235 PolarHBondContact O-OG 2.82Å; W232-S235 VanDerWaalsContact O-OG 3.1Å; L233-S235 VanDerWaalsContact C-N 3.32Å; L233-S235 PolarHBondContact O-N 3.15Å; S235-M237 PolarHBondContact O-N 3.08Å; S235-E238 PolarHBondContact O-N 2.99Å
236A90.6Very high91.9Very high2 Ų221.2 Ų21.22%0.01714%0.136CC..G310 helixtrans-60.7-13.7174.600000114.3I155 W232 L233 E238 G239I155-A236 HydrophobicContact CD1-CB 3.74Å; I155-A236 HydrophobicContact CG1-CB 4.2Å; W232-A236 WeakPolarHBondContact O-CB 3.26Å; W232-A236 PolarHBondContact O-N 3.34Å; L233-A236 PolarHBondContact O-N 3.02Å; A236-E238 PolarHBondContact O-N 3.42Å; A236-G239 PolarHBondContact O-N 3.34Å; A236-G239 VanDerWaalsContact O-N 3.09Å
237M92Very high91.5Very high13 Ų1321.2 Ų21.26%0.06414%0.137CC..G310 helixtrans-66.5-11.4176.2-61.3-59.6133.700114.5L233 P234 S235 G239 H248 K299 K300 A303L233-M237 HydrophobicContact CD2-CE 4.05Å; L233-M237 WeakPolarHBondContact O-CE 3.47Å; P234-M237 WeakPolarHBondContact O-CB 3.43Å; P234-M237 VanDerWaalsContact O-CG 3.31Å; P234-M237 WeakPolarHBondContact O-CG 3.3Å; P234-M237 PolarHBondContact O-N 3.23Å; S235-M237 PolarHBondContact O-N 3.08Å; M237-G239 PolarHBondContact O-N 2.94Å; M237-H248 WeakPolarHBondContact CE-CD2 3.41Å; M237-H248 WeakPolarHBondContact CE-NE2 3.39Å; M237-K299 HydrophobicContact CB-CB 3.94Å; M237-K299 HydrophobicContact CB-CD 4.18Å; M237-K299 HydrophobicContact CG-CB 3.95Å; M237-K299 WeakPolarHBondContact O-CD 3.08Å; M237-K299 PolarHBondContact O-NZ 3.01Å; M237-K299 VanDerWaalsContact O-NZ 3.08Å; M237-K299 HydrophobicContact SD-CB 3.84Å; M237-K299 VanDerWaalsContact SD-O 3.39Å; M237-K300 HydrophobicContact CG-CG 4.45Å; M237-A303 HydrophobicContact CE-CB 3.45Å; M237-A303 VanDerWaalsContact CE-CB 3.45Å; M237-A303 HydrophobicContact CG-CB 4.05Å; M237-A303 HydrophobicContact SD-CB 4.11Å
238E90.5Very high90.7Very high64 Ų6418.6 Ų18.630%0.29912%0.122SC..G310 helixtrans-64.4-21169.5-70-55.414400112.7A164 S235 A236A164-E238 HydrophobicContact CB-CB 4.33Å; S235-E238 PolarHBondContact O-N 2.99Å; A236-E238 PolarHBondContact O-N 3.42Å
239G91.4Very high89.6Confident0 Ų017.1 Ų17.10%010%0.103CC..SBendtrans-65.2165.3172.100000113.6A236 M237 K299A236-G239 PolarHBondContact O-N 3.34Å; A236-G239 VanDerWaalsContact O-N 3.09Å; M237-G239 PolarHBondContact O-N 2.94Å; G239-K299 PolarHBondContact O-NZ 2.99Å; G239-K299 VanDerWaalsContact O-NZ 3.07Å
240P93.1Very high88.5Confident0 Ų016 Ų160%010%0.098CC..  trans-63.6148.2175.927.9-33.6000110.8Y107 F117 W157 W158 V243 S244Y107-P240 HydrophobicContact CE1-CB 4.05Å; F117-P240 HydrophobicContact CE2-CG 3.9Å; W157-P240 HydrophobicContact CB-CG 4.34Å; W158-P240 HydrophobicContact CH2-CB 4.25Å; W158-P240 HydrophobicContact CZ2-CB 4.35Å; P240-V243 HydrophobicContact CG-CB 4.03Å; P240-V243 HydrophobicContact CG-CG2 3.67Å; P240-V243 WeakPolarHBondContact O-CB 3.5Å; P240-V243 PolarHBondContact O-N 3.16Å; P240-S244 PolarHBondContact O-N 2.96Å; P240-S244 VanDerWaalsContact O-N 3.14Å
241T93.5Very high88.1Confident37 Ų3714.1 Ų14.123%0.2279%0.089CC..Hα-helixtrans-55.6-38.1-173.647.30000115.4Y107 V243 S244 A245 K299Y107-T241 WeakPolarHBondContact CD2-OG1 3.35Å; Y107-T241 HydrophobicContact CE2-CG2 4.46Å; Y107-T241 WeakPolarHBondContact CE2-OG1 3.1Å; T241-V243 VanDerWaalsContact C-N 3.28Å; T241-V243 PolarHBondContact O-N 2.78Å; T241-S244 VanDerWaalsContact CA-OG 3.32Å; T241-S244 WeakPolarHBondContact CA-OG 3.32Å; T241-S244 PolarHBondContact O-N 3.26Å; T241-S244 PolarHBondContact O-OG 3.39Å; T241-A245 WeakPolarHBondContact O-CB 3.16Å; T241-A245 PolarHBondContact O-N 3.36Å; T241-K299 HydrophobicContact CG2-CD 4.49Å; T241-K299 VanDerWaalsContact CG2-CE 3.44Å
242P93Very high87.9Confident0 Ų012.2 Ų12.20%08%0.077CC..Hα-helixtrans-65.4-34.2178.5-15.729.4000112.1I100 F103 Y107 F117 L246I100-P242 HydrophobicContact CG2-CB 3.86Å; I100-P242 WeakPolarHBondContact CG2-O 3.49Å; F103-P242 HydrophobicContact CD1-CB 4.08Å; F103-P242 HydrophobicContact CD1-CG 3.83Å; F103-P242 HydrophobicContact CE1-CB 4.38Å; F103-P242 HydrophobicContact CE1-CG 3.79Å; Y107-P242 HydrophobicContact CD1-CG 3.68Å; Y107-P242 HydrophobicContact CE1-CG 4.32Å; Y107-P242 HydrophobicContact CG-CG 4.12Å; F117-P242 HydrophobicContact CZ-CB 4.24Å; F117-P242 HydrophobicContact CZ-CG 4.44Å; P242-L246 WeakPolarHBondContact O-CB 3.37Å; P242-L246 PolarHBondContact O-N 3.34Å; P242-L246 VanDerWaalsContact O-N 3.13Å
243V91.2Very high87.9Confident4 Ų412.3 Ų12.32%0.0248%0.077CC..Hα-helixtrans-68-49.5176.6169.90000109.8F117 L154 P240 T241 A245 L246 L247F117-V243 HydrophobicContact CE2-CG2 3.48Å; F117-V243 VanDerWaalsContact CE2-CG2 3.48Å; F117-V243 HydrophobicContact CZ-CG2 3.64Å; L154-V243 HydrophobicContact CB-CB 4.4Å; L154-V243 HydrophobicContact CB-CG1 3.58Å; L154-V243 HydrophobicContact CB-CG2 3.86Å; L154-V243 HydrophobicContact CD1-CG1 4.45Å; L154-V243 HydrophobicContact CD1-CG2 4.4Å; L154-V243 HydrophobicContact CD2-CG2 3.92Å; L154-V243 HydrophobicContact CG-CG2 4.29Å; P240-V243 HydrophobicContact CG-CB 4.03Å; P240-V243 HydrophobicContact CG-CG2 3.67Å; P240-V243 WeakPolarHBondContact O-CB 3.5Å; P240-V243 PolarHBondContact O-N 3.16Å; T241-V243 VanDerWaalsContact C-N 3.28Å; T241-V243 PolarHBondContact O-N 2.78Å; V243-A245 VanDerWaalsContact C-N 3.29Å; V243-A245 PolarHBondContact O-N 3.13Å; V243-L246 PolarHBondContact O-N 3.42Å; V243-L247 HydrophobicContact CG1-CD1 3.44Å; V243-L247 VanDerWaalsContact CG1-CD1 3.44Å; V243-L247 HydrophobicContact CG1-CG 3.86Å; V243-L247 WeakPolarHBondContact O-CB 3.47Å; V243-L247 VanDerWaalsContact O-CG 3.3Å; V243-L247 WeakPolarHBondContact O-CG 3.5Å; V243-L247 PolarHBondContact O-N 2.95Å
244S89.4Confident87.9Confident13 Ų1312.3 Ų12.39%0.0918%0.077CC..Hα-helixtrans-59.5-41.4178.553.40000111.6P240 T241 L246 H248P240-S244 PolarHBondContact O-N 2.96Å; P240-S244 VanDerWaalsContact O-N 3.14Å; T241-S244 VanDerWaalsContact CA-OG 3.32Å; T241-S244 WeakPolarHBondContact CA-OG 3.32Å; T241-S244 PolarHBondContact O-N 3.26Å; T241-S244 PolarHBondContact O-OG 3.39Å; S244-L246 VanDerWaalsContact C-N 3.35Å; S244-L246 PolarHBondContact O-N 3.35Å; S244-H248 VanDerWaalsContact O-CB 3.26Å; S244-H248 WeakPolarHBondContact O-CB 2.93Å; S244-H248 PolarHBondContact O-CD2 2.95Å; S244-H248 PolarHBondContact O-N 3.4Å
245A90.2Very high87.9Confident45 Ų4511.6 Ų11.637%0.3727%0.073SC..Hα-helixtrans-58.7-47.9176.500000111.4I100 T241 V243 S249I100-A245 HydrophobicContact CD1-CB 4.17Å; T241-A245 WeakPolarHBondContact O-CB 3.16Å; T241-A245 PolarHBondContact O-N 3.36Å; V243-A245 VanDerWaalsContact C-N 3.29Å; V243-A245 PolarHBondContact O-N 3.13Å; A245-S249 VanDerWaalsContact O-CB 3.28Å; A245-S249 WeakPolarHBondContact O-CB 2.93Å; A245-S249 PolarHBondContact O-N 3.23Å; A245-S249 PolarHBondContact O-OG 3.17Å
246L89.8Confident88Confident2 Ų210.3 Ų10.31%0.016%0.064CC..Hα-helixtrans-68.4-46.6-177.1-162.5149.8000112.8T97 I100 L121 F124 P242 V243 S244 H248 S250 T251T97-L246 HydrophobicContact CG2-CD1 3.56Å; T97-L246 HydrophobicContact CG2-CG 4.13Å; I100-L246 HydrophobicContact CB-CD1 4.49Å; I100-L246 VanDerWaalsContact CD1-CA 3.49Å; I100-L246 HydrophobicContact CD1-CB 3.55Å; I100-L246 HydrophobicContact CD1-CD1 4.08Å; I100-L246 HydrophobicContact CD1-CG 3.92Å; I100-L246 HydrophobicContact CG2-CB 4.4Å; I100-L246 HydrophobicContact CG2-CD1 4.15Å; L121-L246 HydrophobicContact CD1-CD1 4.11Å; L121-L246 HydrophobicContact CD2-CD1 3.25Å; L121-L246 HydrophobicContact CG-CD1 3.77Å; F124-L246 HydrophobicContact CD1-CD2 3.29Å; F124-L246 HydrophobicContact CE1-CD2 3.09Å; F124-L246 HydrophobicContact CG-CD2 4.38Å; F124-L246 HydrophobicContact CZ-CD2 4.03Å; P242-L246 WeakPolarHBondContact O-CB 3.37Å; P242-L246 PolarHBondContact O-N 3.34Å; P242-L246 VanDerWaalsContact O-N 3.13Å; V243-L246 PolarHBondContact O-N 3.42Å; S244-L246 VanDerWaalsContact C-N 3.35Å; S244-L246 PolarHBondContact O-N 3.35Å; L246-H248 VanDerWaalsContact C-N 3.34Å; L246-H248 PolarHBondContact O-N 3.27Å; L246-S250 PolarHBondContact O-OG 3.43Å; L246-T251 HydrophobicContact CD2-CG2 3.95Å; L246-T251 WeakPolarHBondContact CD2-OG1 3.43Å; L246-T251 PolarHBondContact O-OG1 3.38Å
247L85.5Confident88.2Confident1 Ų110.2 Ų10.21%0.0056%0.063CC..Hα-helixtrans-64.8-39.8-178.2-68.7-176.8000111.4F124 I155 V243 M252F124-L247 HydrophobicContact CD2-CD2 3.94Å; F124-L247 HydrophobicContact CE1-CD2 4.18Å; F124-L247 HydrophobicContact CE2-CD2 3.18Å; F124-L247 HydrophobicContact CZ-CD2 3.36Å; I155-L247 HydrophobicContact CD1-CD1 4.4Å; I155-L247 HydrophobicContact CG1-CD1 4.15Å; V243-L247 HydrophobicContact CG1-CD1 3.44Å; V243-L247 VanDerWaalsContact CG1-CD1 3.44Å; V243-L247 HydrophobicContact CG1-CG 3.86Å; V243-L247 WeakPolarHBondContact O-CB 3.47Å; V243-L247 VanDerWaalsContact O-CG 3.3Å; V243-L247 WeakPolarHBondContact O-CG 3.5Å; V243-L247 PolarHBondContact O-N 2.95Å; L247-M252 HydrophobicContact CD2-CB 4.08Å; L247-M252 HydrophobicContact CD2-SD 4.29Å; L247-M252 PolarHBondContact O-N 2.9Å
248H75.4Confident88.3Confident8 Ų89.7 Ų9.74%0.0376%0.06CC..Hα-helixtrans-98.5-18.9-168.8-55.9-59.9000114.9M237 S244 L246M237-H248 WeakPolarHBondContact CE-CD2 3.41Å; M237-H248 WeakPolarHBondContact CE-NE2 3.39Å; S244-H248 VanDerWaalsContact O-CB 3.26Å; S244-H248 WeakPolarHBondContact O-CB 2.93Å; S244-H248 PolarHBondContact O-CD2 2.95Å; S244-H248 PolarHBondContact O-N 3.4Å; L246-H248 VanDerWaalsContact C-N 3.34Å; L246-H248 PolarHBondContact O-N 3.27Å
249S69.5Low88.5Confident24 Ų246.6 Ų6.617%0.1685%0.046CC..Hα-helixtrans-86.7-50.3175.2850000112.3A245 H332 A333A245-S249 VanDerWaalsContact O-CB 3.28Å; A245-S249 WeakPolarHBondContact O-CB 2.93Å; A245-S249 PolarHBondContact O-N 3.23Å; A245-S249 PolarHBondContact O-OG 3.17Å; S249-H332 PolarHBondContact O-ND1 2.77Å; S249-A333 WeakPolarHBondContact CB-O 3.4Å; S249-A333 PolarHBondContact OG-O 3.35Å
250S70.8Confident88.7Confident0 Ų07.2 Ų7.20%05%0.049CC..THydrogen-bonded Turntrans-126-16.5-156.250.70000115.4F89 L246F89-S250 WeakPolarHBondContact CZ-O 3.45Å; L246-S250 PolarHBondContact O-OG 3.43Å
251T83.8Confident88.7Confident0 Ų07.3 Ų7.30%05%0.05CC..SBendtrans-127.9-79.6-162.758.30000115.5F124 M128 L246 V253 V254 A255F124-T251 VanDerWaalsContact CE1-CB 3.45Å; F124-T251 HydrophobicContact CE1-CG2 3.83Å; F124-T251 WeakPolarHBondContact CE1-OG1 3.34Å; F124-T251 WeakPolarHBondContact CZ-OG1 3.44Å; M128-T251 VanDerWaalsContact CE-O 3.29Å; M128-T251 WeakPolarHBondContact CE-O 3.5Å; M128-T251 HydrophobicContact CG-CG2 3.96Å; L246-T251 HydrophobicContact CD2-CG2 3.95Å; L246-T251 WeakPolarHBondContact CD2-OG1 3.43Å; L246-T251 PolarHBondContact O-OG1 3.38Å; T251-V253 PolarHBondContact O-N 3.3Å; T251-V254 PolarHBondContact O-N 2.92Å; T251-A255 PolarHBondContact O-N 3.03Å
252M90.1Very high88.6Confident0 Ų06.9 Ų6.90%04%0.044CC..THydrogen-bonded Turntrans-65.1-48.1-166.9176.6-179.8-179.600112.2F124 V147 S151 N175 K223 W232 L247 V254 A255F124-M252 HydrophobicContact CE2-CB 4.49Å; F124-M252 HydrophobicContact CZ-CB 4.18Å; V147-M252 HydrophobicContact CG1-CB 3.82Å; V147-M252 HydrophobicContact CG1-CG 3.82Å; S151-M252 WeakPolarHBondContact CB-SD 3.44Å; S151-M252 WeakPolarHBondContact OG-CE 3.24Å; N175-M252 WeakPolarHBondContact ND2-CE 3.35Å; K223-M252 HydrophobicContact CD-CE 4.33Å; W232-M252 HydrophobicContact CE3-CE 4.43Å; W232-M252 HydrophobicContact CH2-CE 3.62Å; W232-M252 HydrophobicContact CH2-CG 4.27Å; W232-M252 HydrophobicContact CH2-SD 3.93Å; W232-M252 HydrophobicContact CZ2-CE 4.45Å; W232-M252 HydrophobicContact CZ3-CE 3.61Å; W232-M252 HydrophobicContact CZ3-SD 3.86Å; L247-M252 HydrophobicContact CD2-CB 4.08Å; L247-M252 HydrophobicContact CD2-SD 4.29Å; L247-M252 PolarHBondContact O-N 2.9Å; M252-V254 VanDerWaalsContact C-N 3.3Å; M252-V254 PolarHBondContact O-N 3.34Å; M252-A255 WeakPolarHBondContact O-CB 3.45Å; M252-A255 PolarHBondContact O-N 3.45Å
253V91.4Very high88.5Confident1 Ų17.2 Ų7.21%0.0065%0.045CC..THydrogen-bonded Turntrans-74.1-29.3-172.9-158.50000111.6K223 S224 A225 W232 L233 T251 A255 L310K223-V253 WeakPolarHBondContact O-CA 3.28Å; S224-V253 WeakPolarHBondContact CA-O 3.38Å; S224-V253 VanDerWaalsContact CB-O 3.23Å; S224-V253 WeakPolarHBondContact CB-O 3.41Å; A225-V253 HydrophobicContact CB-CG1 4.44Å; W232-V253 HydrophobicContact CH2-CG2 3.96Å; L233-V253 HydrophobicContact CD1-CB 4.45Å; L233-V253 HydrophobicContact CD1-CG1 3.71Å; L233-V253 HydrophobicContact CD1-CG2 3.86Å; L233-V253 HydrophobicContact CG-CG2 4.46Å; T251-V253 PolarHBondContact O-N 3.3Å; V253-A255 VanDerWaalsContact C-N 3.34Å; V253-L310 HydrophobicContact CB-CD1 3.84Å; V253-L310 HydrophobicContact CG1-CD1 3.09Å; V253-L310 HydrophobicContact CG1-CD2 4.26Å; V253-L310 HydrophobicContact CG1-CG 4.28Å
254V92.3Very high88.4Confident2 Ų28 Ų81%0.0125%0.049CC..Hα-helixtrans-70.8-29.2176.8175.20000111.9F89 T251 M252 G256 I257 F258 L310 I329F89-V254 HydrophobicContact CE2-CG1 4.23Å; T251-V254 PolarHBondContact O-N 2.92Å; M252-V254 VanDerWaalsContact C-N 3.3Å; M252-V254 PolarHBondContact O-N 3.34Å; V254-G256 PolarHBondContact O-N 3.05Å; V254-G256 VanDerWaalsContact O-N 3.13Å; V254-I257 PolarHBondContact O-N 3.4Å; V254-F258 WeakPolarHBondContact O-CB 3.44Å; V254-F258 PolarHBondContact O-N 2.88Å; V254-L310 HydrophobicContact CG2-CD2 4.32Å; V254-I329 HydrophobicContact CB-CG2 4.48Å; V254-I329 HydrophobicContact CG1-CB 4.24Å; V254-I329 HydrophobicContact CG1-CD1 3.74Å; V254-I329 HydrophobicContact CG1-CG1 3.88Å; V254-I329 HydrophobicContact CG1-CG2 3.33Å; V254-I329 HydrophobicContact CG2-CG2 4.34Å
255A92.3Very high88.3Confident1 Ų110.5 Ų10.51%0.0086%0.064CC..Hα-helixtrans-55-35.8-175.900000113.6M128 L131 W144 T251 M252 V253 L259M128-A255 HydrophobicContact CE-CB 4.36Å; M128-A255 HydrophobicContact SD-CB 4.5Å; L131-A255 HydrophobicContact CD1-CB 3.83Å; L131-A255 HydrophobicContact CD2-CB 4.27Å; W144-A255 HydrophobicContact CZ3-CB 4.39Å; T251-A255 PolarHBondContact O-N 3.03Å; M252-A255 WeakPolarHBondContact O-CB 3.45Å; M252-A255 PolarHBondContact O-N 3.45Å; V253-A255 VanDerWaalsContact C-N 3.34Å; A255-L259 WeakPolarHBondContact O-CB 2.95Å; A255-L259 PolarHBondContact O-N 3.25Å
256G92.5Very high88.1Confident0 Ų08.6 Ų8.60%05%0.048CC..Hα-helixtrans-65.9-42.1176.900000113.4A220 V254 L259 L260A220-G256 VanDerWaalsContact CB-O 3.28Å; A220-G256 WeakPolarHBondContact CB-O 3.48Å; V254-G256 PolarHBondContact O-N 3.05Å; V254-G256 VanDerWaalsContact O-N 3.13Å; G256-L259 WeakPolarHBondContact O-CB 3.21Å; G256-L259 PolarHBondContact O-N 2.98Å; G256-L260 PolarHBondContact O-N 2.77Å
257I94.5Very high88Confident0 Ų09.1 Ų9.10%05%0.053CC..Hα-helixtrans-73.1-40177.7-63.5163.1000109.8V254 L259 L260 I261 L310 M313 I317 I329V254-I257 PolarHBondContact O-N 3.4Å; I257-L259 VanDerWaalsContact C-N 3.26Å; I257-L259 PolarHBondContact O-N 2.95Å; I257-L260 PolarHBondContact O-N 3.44Å; I257-L260 VanDerWaalsContact O-N 3.07Å; I257-I261 HydrophobicContact CG2-CD1 3.94Å; I257-I261 HydrophobicContact CG2-CG1 4.48Å; I257-I261 WeakPolarHBondContact O-CG1 3.27Å; I257-I261 PolarHBondContact O-N 3.32Å; I257-L310 HydrophobicContact CD1-CB 3.8Å; I257-L310 HydrophobicContact CD1-CD2 3.32Å; I257-L310 HydrophobicContact CD1-CG 4.14Å; I257-M313 HydrophobicContact CD1-CB 3.9Å; I257-M313 HydrophobicContact CD1-SD 3.96Å; I257-M313 HydrophobicContact CG2-CB 4.03Å; I257-I317 HydrophobicContact CG2-CD1 3.55Å; I257-I329 HydrophobicContact CB-CD1 4.43Å; I257-I329 HydrophobicContact CG2-CD1 3.87Å
258F94.9Very high88.1Confident1 Ų112.9 Ų12.90%0.0047%0.07CC..Hα-helixtrans-57.1-40.6174.4-174-92.7000112F85 L131 V132 V254 I261 R262 F326F85-F258 HydrophobicContact CB-CE2 3.85Å; F85-F258 HydrophobicContact CB-CZ 4.14Å; L131-F258 HydrophobicContact CD2-CD1 4.12Å; V132-F258 HydrophobicContact CB-CE1 4.31Å; V132-F258 HydrophobicContact CB-CZ 4.14Å; V132-F258 HydrophobicContact CG1-CE1 4.32Å; V132-F258 HydrophobicContact CG1-CE2 4.12Å; V132-F258 HydrophobicContact CG1-CZ 3.66Å; V132-F258 HydrophobicContact CG2-CE1 4.32Å; V132-F258 HydrophobicContact CG2-CZ 4.28Å; V254-F258 WeakPolarHBondContact O-CB 3.44Å; V254-F258 PolarHBondContact O-N 2.88Å; F258-I261 PolarHBondContact O-N 3.45Å; F258-R262 HydrophobicContact CD1-CG 4.01Å; F258-R262 HydrophobicContact CE1-CG 3.67Å; F258-R262 VanDerWaalsContact CE1-NE 3.3Å; F258-R262 HydrophobicContact CZ-CG 4.22Å; F258-R262 WeakPolarHBondContact O-CG 2.94Å; F258-R262 PolarHBondContact O-N 2.92Å; F258-F326 HydrophobicContact CD2-CE2 4.33Å; F258-F326 HydrophobicContact CE2-CE2 4.09Å
259L94.8Very high88.5Confident0 Ų016.9 Ų16.90%09%0.092CC..Hα-helixtrans-59.1-46.3173.3173.9159.6000111.7L140 W144 F182 L216 A255 G256 I257 I261 R262 F263L140-L259 HydrophobicContact CD2-CD1 4.18Å; W144-L259 HydrophobicContact CE3-CD1 4.2Å; W144-L259 HydrophobicContact CH2-CD1 4Å; W144-L259 HydrophobicContact CZ3-CB 4.21Å; W144-L259 HydrophobicContact CZ3-CD1 3.66Å; F182-L259 HydrophobicContact CD2-CD1 3.61Å; F182-L259 HydrophobicContact CE2-CD1 3.35Å; F182-L259 HydrophobicContact CZ-CD1 4.45Å; L216-L259 HydrophobicContact CB-CD2 3.83Å; L216-L259 HydrophobicContact CD2-CD1 4.21Å; L216-L259 HydrophobicContact CD2-CD2 3.62Å; L216-L259 HydrophobicContact CD2-CG 4.21Å; L216-L259 HydrophobicContact CG-CD2 4.21Å; A255-L259 WeakPolarHBondContact O-CB 2.95Å; A255-L259 PolarHBondContact O-N 3.25Å; G256-L259 WeakPolarHBondContact O-CB 3.21Å; G256-L259 PolarHBondContact O-N 2.98Å; I257-L259 VanDerWaalsContact C-N 3.26Å; I257-L259 PolarHBondContact O-N 2.95Å; L259-I261 VanDerWaalsContact C-N 3.34Å; L259-I261 PolarHBondContact O-N 3.42Å; L259-R262 WeakPolarHBondContact O-CB 3.37Å; L259-R262 PolarHBondContact O-N 3.22Å; L259-F263 HydrophobicContact CD2-CD2 4.19Å; L259-F263 HydrophobicContact CG-CD2 4.19Å; L259-F263 HydrophobicContact CG-CE2 4.39Å; L259-F263 VanDerWaalsContact O-CD2 3.24Å; L259-F263 WeakPolarHBondContact O-CD2 3.33Å; L259-F263 PolarHBondContact O-N 3.31Å; L259-F263 VanDerWaalsContact O-N 3.11Å
260L94Very high89.4Confident13 Ų1316.3 Ų16.37%0.0689%0.088CC..Hα-helixtrans-65.2-37.6177.2-67.9176.8000112.6L216 A220 G256 I257 R262 F263 H264 M314 I317L216-L260 HydrophobicContact CB-CD2 4.31Å; A220-L260 HydrophobicContact CB-CD1 3.51Å; A220-L260 HydrophobicContact CB-CD2 4.23Å; A220-L260 HydrophobicContact CB-CG 3.68Å; G256-L260 PolarHBondContact O-N 2.77Å; I257-L260 PolarHBondContact O-N 3.44Å; I257-L260 VanDerWaalsContact O-N 3.07Å; L260-R262 VanDerWaalsContact C-N 3.33Å; L260-R262 PolarHBondContact O-N 3.46Å; L260-F263 CarbonylContact O-C 3.21Å; L260-F263 PolarHBondContact O-N 3.22Å; L260-H264 PolarHBondContact O-N 3.39Å; L260-M314 HydrophobicContact CD1-CE 3.3Å; L260-M314 HydrophobicContact CD1-SD 3.47Å; L260-M314 WeakPolarHBondContact CD1-SD 3.44Å; L260-I317 HydrophobicContact CB-CD1 4Å; L260-I317 HydrophobicContact CB-CG2 4.44Å
261I94.4Very high90.4Very high2 Ų220.6 Ų20.61%0.0112%0.115CC..Hα-helixtrans-60.9-43.1174.4-69.7164.9000110.5F85 I257 F258 L259 F263 H264 I317 P322 A325 F326 I329F85-I261 HydrophobicContact CD1-CG2 3.76Å; F85-I261 HydrophobicContact CD2-CG2 4.03Å; F85-I261 HydrophobicContact CE1-CG2 3.34Å; F85-I261 HydrophobicContact CE2-CG2 3.65Å; F85-I261 HydrophobicContact CG-CG2 4.08Å; F85-I261 HydrophobicContact CZ-CG2 3.29Å; I257-I261 HydrophobicContact CG2-CD1 3.94Å; I257-I261 HydrophobicContact CG2-CG1 4.48Å; I257-I261 WeakPolarHBondContact O-CG1 3.27Å; I257-I261 PolarHBondContact O-N 3.32Å; F258-I261 PolarHBondContact O-N 3.45Å; L259-I261 VanDerWaalsContact C-N 3.34Å; L259-I261 PolarHBondContact O-N 3.42Å; I261-F263 VanDerWaalsContact C-N 3.3Å; I261-F263 PolarHBondContact O-N 2.99Å; I261-H264 WeakPolarHBondContact O-CB 3.47Å; I261-H264 PolarHBondContact O-N 3.48Å; I261-I317 HydrophobicContact CD1-CD1 4.44Å; I261-I317 HydrophobicContact CG1-CD1 3.81Å; I261-I317 HydrophobicContact CG1-CG1 4.27Å; I261-P322 HydrophobicContact CG1-CB 4.33Å; I261-P322 HydrophobicContact CG2-CB 4.33Å; I261-A325 HydrophobicContact CD1-CB 4.09Å; I261-A325 HydrophobicContact CG1-CB 4.47Å; I261-F326 HydrophobicContact CD1-CB 4.11Å; I261-I329 HydrophobicContact CD1-CD1 3.59Å
262R91.4Very high90.9Very high27 Ų2724.8 Ų24.810%0.10214%0.138CC..Hα-helixtrans-63-35.8176.8-73.1-71.2-170.3161.4-0.2112.9D83 V132 F258 L259 L260 H264D83-R262 IonicContact OD1-CZ 3.74Å; D83-R262 IonicContact OD1-NH1 3.38Å; D83-R262 PolarHBondContact OD1-NH1 3.03Å; D83-R262 IonicContact OD1-NH2 3.89Å; D83-R262 PolarHBondContact OD1-NH2 2.93Å; D83-R262 IonicContact OD2-CZ 3.96Å; D83-R262 IonicContact OD2-NE 3.92Å; D83-R262 IonicContact OD2-NH1 3.15Å; D83-R262 PolarHBondContact OD2-NH1 3.12Å; D83-R262 IonicContact OD2-NH2 3.92Å; V132-R262 PolarHBondContact O-NH2 2.87Å; F258-R262 HydrophobicContact CD1-CG 4.01Å; F258-R262 HydrophobicContact CE1-CG 3.67Å; F258-R262 VanDerWaalsContact CE1-NE 3.3Å; F258-R262 HydrophobicContact CZ-CG 4.22Å; F258-R262 WeakPolarHBondContact O-CG 2.94Å; F258-R262 PolarHBondContact O-N 2.92Å; L259-R262 WeakPolarHBondContact O-CB 3.37Å; L259-R262 PolarHBondContact O-N 3.22Å; L260-R262 VanDerWaalsContact C-N 3.33Å; L260-R262 PolarHBondContact O-N 3.46Å; R262-H264 VanDerWaalsContact C-N 3.33Å
263F89.6Confident91Very high8 Ų825 Ų254%0.03514%0.139CC..THydrogen-bonded Turntrans-92.913.5177.9-71.9-70.3000113.8L137 P198 M201 L216 L259 L260 I261 P265 L266 A267L137-F263 HydrophobicContact CD1-CZ 4.19Å; L137-F263 HydrophobicContact CD2-CE1 4.33Å; L137-F263 HydrophobicContact CD2-CE2 3.67Å; L137-F263 HydrophobicContact CD2-CZ 3.26Å; L137-F263 HydrophobicContact CG-CZ 3.79Å; P198-F263 HydrophobicContact CB-CD1 4.41Å; P198-F263 HydrophobicContact CB-CE1 3.68Å; P198-F263 HydrophobicContact CB-CZ 4.17Å; M201-F263 HydrophobicContact CE-CD1 4.38Å; M201-F263 HydrophobicContact CE-CE1 3.71Å; L216-F263 HydrophobicContact CD1-CB 4.06Å; L216-F263 HydrophobicContact CD1-CD1 4.26Å; L216-F263 HydrophobicContact CD1-CD2 3.88Å; L216-F263 HydrophobicContact CD1-CG 3.78Å; L216-F263 HydrophobicContact CD2-CD2 4.12Å; L216-F263 HydrophobicContact CD2-CE2 4.22Å; L259-F263 HydrophobicContact CD2-CD2 4.19Å; L259-F263 HydrophobicContact CG-CD2 4.19Å; L259-F263 HydrophobicContact CG-CE2 4.39Å; L259-F263 VanDerWaalsContact O-CD2 3.24Å; L259-F263 WeakPolarHBondContact O-CD2 3.33Å; L259-F263 PolarHBondContact O-N 3.31Å; L259-F263 VanDerWaalsContact O-N 3.11Å; L260-F263 CarbonylContact O-C 3.21Å; L260-F263 PolarHBondContact O-N 3.22Å; I261-F263 VanDerWaalsContact C-N 3.3Å; I261-F263 PolarHBondContact O-N 2.99Å; F263-P265 VanDerWaalsContact C-CD 3.49Å; F263-L266 HydrophobicContact CD1-CD1 3.72Å; F263-L266 HydrophobicContact CE1-CD1 4.36Å; F263-L266 WeakPolarHBondContact O-CB 3.41Å; F263-L266 PolarHBondContact O-N 3.31Å; F263-A267 PolarHBondContact O-N 2.98Å; F263-A267 VanDerWaalsContact O-N 3.11Å
264H89.3Confident91.2Very high21 Ų2126.9 Ų26.910%0.09715%0.147CC..Hα-helixtrans-51.9-45.9178.8168-99.5000113.8L260 I261 R262 L266 A267 E268 N320 P322L260-H264 PolarHBondContact O-N 3.39Å; I261-H264 WeakPolarHBondContact O-CB 3.47Å; I261-H264 PolarHBondContact O-N 3.48Å; R262-H264 VanDerWaalsContact C-N 3.33Å; H264-L266 PolarHBondContact O-N 3.49Å; H264-A267 WeakPolarHBondContact O-CA 3.29Å; H264-A267 PolarHBondContact O-N 3.45Å; H264-E268 VanDerWaalsContact CE1-CG 3.46Å; H264-E268 WeakPolarHBondContact CE1-CG 3.4Å; H264-E268 IonicContact CE1-OE1 3.85Å; H264-E268 PolarHBondContact CE1-OE1 3.27Å; H264-E268 IonicContact CE1-OE2 3.38Å; H264-E268 IonicContact ND1-OE1 2.75Å; H264-E268 IonicContact ND1-OE2 3.19Å; H264-E268 IonicContact NE2-OE1 2.63Å; H264-E268 PolarHBondContact NE2-OE1 2.7Å; H264-E268 WeakPolarHBondContact O-CG 3.37Å; H264-E268 PolarHBondContact O-N 2.94Å; H264-N320 PolarHBondContact NE2-OD1 2.96Å; H264-P322 HydrophobicContact CB-CB 4.16Å; H264-P322 HydrophobicContact CB-CG 4.2Å; H264-P322 WeakPolarHBondContact CD2-CG 3.33Å; H264-P322 WeakPolarHBondContact NE2-CD 3.42Å; H264-P322 WeakPolarHBondContact NE2-CG 3.47Å
265P88.3Confident91.3Very high64 Ų6430.5 Ų30.542%0.41617%0.17SC..Hα-helixtrans-58.5-26179.4-24.834.8000114.1A202 F263A202-P265 HydrophobicContact CB-CB 4.4Å; F263-P265 VanDerWaalsContact C-CD 3.49Å
266L86.7Confident91.5Very high5 Ų533.9 Ų33.93%0.02619%0.187CC..Hα-helixtrans-82.7-34.8172.8-65.5175.5000111.9F189 M201 A202 N205 P208 L213 F263 H264F189-L266 HydrophobicContact CE1-CD1 4.42Å; F189-L266 HydrophobicContact CZ-CD1 4.24Å; M201-L266 HydrophobicContact CE-CD1 3.83Å; A202-L266 HydrophobicContact CB-CD2 4.4Å; N205-L266 HydrophobicContact CB-CD2 4.45Å; P208-L266 VanDerWaalsContact CG-O 3.3Å; P208-L266 WeakPolarHBondContact CG-O 3.35Å; L213-L266 HydrophobicContact CD2-CB 4.01Å; F263-L266 HydrophobicContact CD1-CD1 3.72Å; F263-L266 HydrophobicContact CE1-CD1 4.36Å; F263-L266 WeakPolarHBondContact O-CB 3.41Å; F263-L266 PolarHBondContact O-N 3.31Å; H264-L266 PolarHBondContact O-N 3.49Å
267A86.6Confident91.6Very high13 Ų1334 Ų3411%0.10719%0.188CC..Hα-helixtrans-69.9-32.5179.700000112.4F263 H264 N269 S270F263-A267 PolarHBondContact O-N 2.98Å; F263-A267 VanDerWaalsContact O-N 3.11Å; H264-A267 WeakPolarHBondContact O-CA 3.29Å; H264-A267 PolarHBondContact O-N 3.45Å; A267-N269 PolarHBondContact O-N 3.2Å; A267-S270 PolarHBondContact O-N 3.48Å; A267-S270 PolarHBondContact O-OG 3.27Å
268E86.9Confident91.7Very high81 Ų8136.9 Ų36.938%0.37920%0.203SC..THydrogen-bonded Turntrans-50-40.4-179.6-79.4-170.413000114H264 S270 Q274 N320H264-E268 VanDerWaalsContact CE1-CG 3.46Å; H264-E268 WeakPolarHBondContact CE1-CG 3.4Å; H264-E268 IonicContact CE1-OE1 3.85Å; H264-E268 PolarHBondContact CE1-OE1 3.27Å; H264-E268 IonicContact CE1-OE2 3.38Å; H264-E268 IonicContact ND1-OE1 2.75Å; H264-E268 IonicContact ND1-OE2 3.19Å; H264-E268 IonicContact NE2-OE1 2.63Å; H264-E268 PolarHBondContact NE2-OE1 2.7Å; H264-E268 WeakPolarHBondContact O-CG 3.37Å; H264-E268 PolarHBondContact O-N 2.94Å; E268-S270 VanDerWaalsContact C-N 3.26Å; E268-S270 PolarHBondContact O-N 3.4Å; E268-Q274 PolarHBondContact O-NE2 3.35Å; E268-N320 VanDerWaalsContact CG-OD1 3.26Å; E268-N320 WeakPolarHBondContact CG-OD1 3.48Å; E268-N320 PolarHBondContact OE1-ND2 2.96Å
269N85.1Confident91.8Very high92 Ų9240 Ų4049%0.49223%0.225SC..THydrogen-bonded Turntrans-82.7-1.6-174.1-63.9-14000113.3A206 P208 A267A206-N269 PolarHBondContact O-ND2 3.11Å; P208-N269 HydrophobicContact CG-CB 4.07Å; A267-N269 PolarHBondContact O-N 3.2Å
270S88.8Confident91.9Very high11 Ų1141.9 Ų41.98%0.07723%0.234CC..  trans-122.791.6-17163.90000112.4L213 A267 E268 L272 I273 Q274L213-S270 WeakPolarHBondContact CD1-OG 3.29Å; A267-S270 PolarHBondContact O-N 3.48Å; A267-S270 PolarHBondContact O-OG 3.27Å; E268-S270 VanDerWaalsContact C-N 3.26Å; E268-S270 PolarHBondContact O-N 3.4Å; S270-L272 PolarHBondContact O-N 3.46Å; S270-I273 PolarHBondContact O-N 2.81Å; S270-I273 WeakPolarHBondContact OG-CB 3.45Å; S270-I273 WeakPolarHBondContact OG-CG1 2.98Å; S270-Q274 PolarHBondContact O-N 3.18Å
271P90.9Very high92Very high90 Ų9041.2 Ų41.258%0.58423%0.231SC*.Hα-helixtrans-64.3-28.2-176.325.4-34.3000112.7I273 Q274 T275P271-I273 VanDerWaalsContact C-N 3.33Å; P271-I273 PolarHBondContact O-N 3.09Å; P271-Q274 PolarHBondContact O-N 2.89Å; P271-T275 WeakPolarHBondContact O-CG2 3.48Å; P271-T275 PolarHBondContact O-N 3.35Å; P271-T275 PolarHBondContact O-OG1 2.93Å
272L93.7Very high92.2Very high89 Ų8943.1 Ų43.147%0.46625%0.246SC..Hα-helixtrans-63.1-39.8175-16498.2000111.7L210 S270 T275 L276L210-L272 HydrophobicContact CD1-CB 4.01Å; L210-L272 HydrophobicContact CD1-CD2 3.4Å; L210-L272 HydrophobicContact CD1-CG 4.32Å; L210-L272 HydrophobicContact CD2-CD2 3.71Å; L210-L272 HydrophobicContact CG-CD2 4.11Å; S270-L272 PolarHBondContact O-N 3.46Å; L272-T275 WeakPolarHBondContact CA-OG1 3.49Å; L272-T275 PolarHBondContact O-OG1 3.44Å; L272-L276 HydrophobicContact CD2-CD1 3.98Å; L272-L276 HydrophobicContact CG-CD1 4.22Å; L272-L276 WeakPolarHBondContact O-CB 3.49Å; L272-L276 VanDerWaalsContact O-CG 3.22Å; L272-L276 WeakPolarHBondContact O-CG 3.48Å; L272-L276 PolarHBondContact O-N 2.91Å
273I93.9Very high92.4Very high5 Ų546 Ų463%0.02626%0.263CS..Hα-helixtrans-70.9-45.1179.6-63.7-67.9000109.7L210 L213 L214 S270 P271 T275 L276 T277L210-I273 HydrophobicContact CD1-CD1 4.25Å; L210-I273 HydrophobicContact CD1-CG1 4.26Å; L210-I273 HydrophobicContact CG-CD1 4.42Å; L213-I273 HydrophobicContact CB-CD1 3.68Å; L213-I273 HydrophobicContact CB-CG1 3.68Å; L213-I273 HydrophobicContact CB-CG2 4.42Å; L213-I273 HydrophobicContact CD1-CG1 4.02Å; L213-I273 HydrophobicContact CG-CG1 4.48Å; L214-I273 HydrophobicContact CD2-CD1 3.82Å; L214-I273 HydrophobicContact CG-CD1 3.96Å; S270-I273 PolarHBondContact O-N 2.81Å; S270-I273 WeakPolarHBondContact OG-CB 3.45Å; S270-I273 WeakPolarHBondContact OG-CG1 2.98Å; P271-I273 VanDerWaalsContact C-N 3.33Å; P271-I273 PolarHBondContact O-N 3.09Å; I273-T275 VanDerWaalsContact C-N 3.31Å; I273-T275 PolarHBondContact O-N 3.04Å; I273-L276 PolarHBondContact O-N 2.67Å; I273-L276 VanDerWaalsContact O-N 3.17Å; I273-T277 HydrophobicContact CG2-CG2 4.11Å; I273-T277 VanDerWaalsContact O-CG2 3.32Å; I273-T277 WeakPolarHBondContact O-CG2 3.31Å; I273-T277 PolarHBondContact O-N 3.2Å; I273-T277 PolarHBondContact O-OG1 3.38Å
274Q93.6Very high92.8Very high40 Ų4045.8 Ų45.819%0.18726%0.263CS..Hα-helixtrans-56-43.6175.4-74.9173.9-8.900112.8E268 S270 P271 T277 L278 G318 N320E268-Q274 PolarHBondContact O-NE2 3.35Å; S270-Q274 PolarHBondContact O-N 3.18Å; P271-Q274 PolarHBondContact O-N 2.89Å; Q274-T277 WeakPolarHBondContact CA-OG1 3.17Å; Q274-T277 PolarHBondContact O-OG1 3.29Å; Q274-L278 VanDerWaalsContact O-CB 3.27Å; Q274-L278 WeakPolarHBondContact O-CB 3.2Å; Q274-L278 PolarHBondContact O-N 3.45Å; Q274-G318 WeakPolarHBondContact CB-O 3.33Å; Q274-G318 WeakPolarHBondContact O-CA 3.22Å; Q274-N320 PolarHBondContact NE2-OD1 2.65Å
275T95.6Very high93.1Very high78 Ų7846.3 Ų46.348%0.47927%0.267SS..Hα-helixtrans-68-40.1176.749.30000112.1P271 L272 I273 L278 C279P271-T275 WeakPolarHBondContact O-CG2 3.48Å; P271-T275 PolarHBondContact O-N 3.35Å; P271-T275 PolarHBondContact O-OG1 2.93Å; L272-T275 WeakPolarHBondContact CA-OG1 3.49Å; L272-T275 PolarHBondContact O-OG1 3.44Å; I273-T275 VanDerWaalsContact C-N 3.31Å; I273-T275 PolarHBondContact O-N 3.04Å; T275-L278 PolarHBondContact O-N 3.29Å; T275-C279 WeakPolarHBondContact O-CB 3.3Å; T275-C279 PolarHBondContact O-N 3.01Å; T275-C279 PolarHBondContact O-SG 3.02Å
276L95.8Very high93.5Very high71 Ų7149 Ų4937%0.37228%0.277SS..Hα-helixtrans-65.3-43.5175.3-73.8171000112.4L214 L217 L272 I273 L278 C279 L280L214-L276 HydrophobicContact CD2-CD1 3.81Å; L217-L276 HydrophobicContact CD1-CB 3.99Å; L272-L276 HydrophobicContact CD2-CD1 3.98Å; L272-L276 HydrophobicContact CG-CD1 4.22Å; L272-L276 WeakPolarHBondContact O-CB 3.49Å; L272-L276 VanDerWaalsContact O-CG 3.22Å; L272-L276 WeakPolarHBondContact O-CG 3.48Å; L272-L276 PolarHBondContact O-N 2.91Å; I273-L276 PolarHBondContact O-N 2.67Å; I273-L276 VanDerWaalsContact O-N 3.17Å; L276-L278 VanDerWaalsContact C-N 3.34Å; L276-C279 PolarHBondContact O-N 2.82Å; L276-L280 WeakPolarHBondContact O-CB 3.47Å; L276-L280 PolarHBondContact O-N 2.85Å
277T95.6Very high94Very high4 Ų452.3 Ų52.33%0.02529%0.292CS..Hα-helixtrans-63.8-41.8177.456.10000111.2L217 I273 Q274 G281 M314 G318L217-T277 HydrophobicContact CD1-CG2 3.55Å; L217-T277 HydrophobicContact CG-CG2 4.34Å; I273-T277 HydrophobicContact CG2-CG2 4.11Å; I273-T277 VanDerWaalsContact O-CG2 3.32Å; I273-T277 WeakPolarHBondContact O-CG2 3.31Å; I273-T277 PolarHBondContact O-N 3.2Å; I273-T277 PolarHBondContact O-OG1 3.38Å; Q274-T277 WeakPolarHBondContact CA-OG1 3.17Å; Q274-T277 PolarHBondContact O-OG1 3.29Å; T277-G281 PolarHBondContact O-N 3.5Å; T277-M314 HydrophobicContact CG2-CE 3.51Å; T277-M314 WeakPolarHBondContact O-CG 3.37Å; T277-G318 WeakPolarHBondContact OG1-CA 3.28Å
278L96.5Very high94.4Very high59 Ų5951.7 Ų51.731%0.30929%0.287SS..Hα-helixtrans-61.7-51.7175.5-173.5146.9000111.9Q274 T275 L276 L280 G281 A282 V315 I319Q274-L278 VanDerWaalsContact O-CB 3.27Å; Q274-L278 WeakPolarHBondContact O-CB 3.2Å; Q274-L278 PolarHBondContact O-N 3.45Å; T275-L278 PolarHBondContact O-N 3.29Å; L276-L278 VanDerWaalsContact C-N 3.34Å; L278-L280 PolarHBondContact O-N 2.68Å; L278-G281 PolarHBondContact O-N 3.28Å; L278-A282 VanDerWaalsContact O-CB 3.31Å; L278-A282 WeakPolarHBondContact O-CB 3.33Å; L278-A282 PolarHBondContact O-N 3.09Å; L278-V315 HydrophobicContact CG-CG1 4.38Å; L278-I319 HydrophobicContact CD1-CD1 4.22Å; L278-I319 HydrophobicContact CD1-CG1 3.57Å
279C97.1Very high94.8Very high68 Ų6850 Ų5046%0.45929%0.286SS..Hα-helixtrans-61.9-44.6-179.9-73.20000111.6T275 L276 A282 I283T275-C279 WeakPolarHBondContact O-CB 3.3Å; T275-C279 PolarHBondContact O-N 3.01Å; T275-C279 PolarHBondContact O-SG 3.02Å; L276-C279 PolarHBondContact O-N 2.82Å; C279-A282 PolarHBondContact O-N 3.21Å; C279-I283 WeakPolarHBondContact O-CD1 2.98Å; C279-I283 WeakPolarHBondContact O-CG1 3.4Å; C279-I283 PolarHBondContact O-N 3.42Å
280L96.8Very high95.3Very high38 Ų3849.8 Ų49.820%0.19929%0.288CS..Hα-helixtrans-59.8-48.2177.8-172.5109.9000111A221 Q226 L276 L278 I283 T284 M314A221-L280 HydrophobicContact CB-CD2 4.37Å; Q226-L280 HydrophobicContact CB-CD2 3.55Å; Q226-L280 HydrophobicContact CB-CG 4.2Å; Q226-L280 HydrophobicContact CG-CD2 3.65Å; L276-L280 WeakPolarHBondContact O-CB 3.47Å; L276-L280 PolarHBondContact O-N 2.85Å; L278-L280 PolarHBondContact O-N 2.68Å; L280-I283 PolarHBondContact O-N 2.88Å; L280-T284 WeakPolarHBondContact O-CG2 3.36Å; L280-T284 PolarHBondContact O-N 2.63Å; L280-T284 VanDerWaalsContact O-N 3.09Å; L280-T284 PolarHBondContact O-OG1 3.24Å; L280-M314 HydrophobicContact CD2-CE 3.96Å; L280-M314 HydrophobicContact CD2-CG 4.38Å
281G96.5Very high95.5Very high0 Ų050.7 Ų50.70%029%0.294CS..Hα-helixtrans-64.7-40.1177.900000114.1T277 L278 I283 T284 T285 G311T277-G281 PolarHBondContact O-N 3.5Å; L278-G281 PolarHBondContact O-N 3.28Å; G281-I283 VanDerWaalsContact C-N 3.35Å; G281-I283 PolarHBondContact O-N 3.37Å; G281-T284 VanDerWaalsContact CA-OG1 3.3Å; G281-T284 WeakPolarHBondContact CA-OG1 3.43Å; G281-T284 PolarHBondContact O-N 3.06Å; G281-T284 PolarHBondContact O-OG1 3.09Å; G281-T285 VanDerWaalsContact O-CG2 3.23Å; G281-T285 WeakPolarHBondContact O-CG2 3.15Å; G281-T285 PolarHBondContact O-N 3.05Å; G281-T285 PolarHBondContact O-OG1 3.44Å; G281-G311 WeakPolarHBondContact CA-O 3.42Å
282A97.2Very high95.7Very high41 Ų4147.3 Ų47.334%0.33927%0.274SS..Hα-helixtrans-66.3-39.5179.100000111.3L278 C279 T285 L286 V315L278-A282 VanDerWaalsContact O-CB 3.31Å; L278-A282 WeakPolarHBondContact O-CB 3.33Å; L278-A282 PolarHBondContact O-N 3.09Å; C279-A282 PolarHBondContact O-N 3.21Å; A282-T285 PolarHBondContact O-OG1 3.14Å; A282-L286 PolarHBondContact O-N 2.83Å; A282-V315 HydrophobicContact CB-CG2 4.14Å; A282-V315 VanDerWaalsContact N-CG2 3.34Å
283I97.3Very high95.8Very high89 Ų8950.3 Ų50.346%0.45629%0.29SS..Hα-helixtrans-71.1-36.1177.7-58.8161.3000110.6L227 C279 L280 G281 F287L227-I283 HydrophobicContact CD1-CG2 4.04Å; L227-I283 HydrophobicContact CD2-CB 4.24Å; L227-I283 HydrophobicContact CD2-CG2 3.44Å; L227-I283 VanDerWaalsContact CD2-CG2 3.44Å; L227-I283 HydrophobicContact CG-CG2 4.28Å; C279-I283 WeakPolarHBondContact O-CD1 2.98Å; C279-I283 WeakPolarHBondContact O-CG1 3.4Å; C279-I283 PolarHBondContact O-N 3.42Å; L280-I283 PolarHBondContact O-N 2.88Å; G281-I283 VanDerWaalsContact C-N 3.35Å; G281-I283 PolarHBondContact O-N 3.37Å; I283-F287 WeakPolarHBondContact O-CB 3.46Å; I283-F287 PolarHBondContact O-N 3.01Å
284T96.4Very high95.9Very high3 Ų355.3 Ų55.32%0.01832%0.321CS..Hα-helixtrans-67.4-43.8177.948.30000113.3Q226 L227 L280 G281 L286 F287 A288 G311Q226-T284 HydrophobicContact CB-CG2 3.94Å; Q226-T284 VanDerWaalsContact OE1-CG2 3.26Å; Q226-T284 PolarHBondContact OE1-OG1 2.76Å; L227-T284 HydrophobicContact CB-CG2 3.52Å; L280-T284 WeakPolarHBondContact O-CG2 3.36Å; L280-T284 PolarHBondContact O-N 2.63Å; L280-T284 VanDerWaalsContact O-N 3.09Å; L280-T284 PolarHBondContact O-OG1 3.24Å; G281-T284 VanDerWaalsContact CA-OG1 3.3Å; G281-T284 WeakPolarHBondContact CA-OG1 3.43Å; G281-T284 PolarHBondContact O-N 3.06Å; G281-T284 PolarHBondContact O-OG1 3.09Å; T284-L286 VanDerWaalsContact C-N 3.34Å; T284-L286 PolarHBondContact O-N 2.99Å; T284-F287 PolarHBondContact O-N 3.18Å; T284-A288 VanDerWaalsContact O-CB 3.26Å; T284-A288 WeakPolarHBondContact O-CB 3.49Å; T284-A288 PolarHBondContact O-N 3.35Å; T284-G311 VanDerWaalsContact OG1-CA 3.23Å; T284-G311 WeakPolarHBondContact OG1-CA 3.3Å
285T96.4Very high95.9Very high32 Ų3256.3 Ų56.320%0.19633%0.325CS..Hα-helixtrans-53.8-52.3175.154.90000111.3G281 A282 A289 S308 L312G281-T285 VanDerWaalsContact O-CG2 3.23Å; G281-T285 WeakPolarHBondContact O-CG2 3.15Å; G281-T285 PolarHBondContact O-N 3.05Å; G281-T285 PolarHBondContact O-OG1 3.44Å; A282-T285 PolarHBondContact O-OG1 3.14Å; T285-A289 VanDerWaalsContact O-CB 3.28Å; T285-A289 WeakPolarHBondContact O-CB 3.37Å; T285-A289 PolarHBondContact O-N 3.09Å; T285-S308 WeakPolarHBondContact CG2-O 3.35Å; T285-S308 PolarHBondContact O-OG 3.49Å; T285-L312 HydrophobicContact CG2-CB 4.03Å
286L96.9Very high95.9Very high120 Ų12059.8 Ų59.863%0.62834%0.341SS*.Hα-helixtrans-63.2-48-179.5-175.469.3000111.5A282 T284 A289 V290A282-L286 PolarHBondContact O-N 2.83Å; T284-L286 VanDerWaalsContact C-N 3.34Å; T284-L286 PolarHBondContact O-N 2.99Å; L286-A289 PolarHBondContact O-N 2.95Å; L286-V290 WeakPolarHBondContact O-CG2 3.39Å; L286-V290 PolarHBondContact O-N 2.93Å; L286-V290 VanDerWaalsContact O-N 3.08Å
287F96.6Very high95.8Very high75 Ų7560.3 Ų60.333%0.32934%0.344SS..Hα-helixtrans-61.1-49.7-178.3175.5-95.6000111.9L227 H230 I283 T284 A289 V290 C291L227-F287 HydrophobicContact CD1-CB 3.86Å; L227-F287 HydrophobicContact CD1-CD1 4.02Å; L227-F287 HydrophobicContact CD1-CD2 4.28Å; L227-F287 HydrophobicContact CD1-CG 3.77Å; H230-F287 AromaticContact CD2-CE1 3.53Å; H230-F287 AromaticContact CE1-CE1 3.55Å; H230-F287 AromaticContact CE1-CZ 3.73Å; H230-F287 AromaticContact CG-CE1 3.98Å; H230-F287 AromaticContact ND1-CE1 3.99Å; H230-F287 AromaticContact NE2-CE1 3.25Å; H230-F287 VanDerWaalsContact NE2-CE1 3.25Å; H230-F287 WeakPolarHBondContact NE2-CE1 3.38Å; H230-F287 AromaticContact NE2-CZ 3.48Å; H230-F287 WeakPolarHBondContact NE2-CZ 3.4Å; I283-F287 WeakPolarHBondContact O-CB 3.46Å; I283-F287 PolarHBondContact O-N 3.01Å; T284-F287 PolarHBondContact O-N 3.18Å; F287-A289 VanDerWaalsContact C-N 3.34Å; F287-A289 PolarHBondContact O-N 3.36Å; F287-V290 PolarHBondContact O-N 3.47Å; F287-C291 VanDerWaalsContact CZ-SG 3.6Å; F287-C291 PolarHBondContact O-N 3.42Å; F287-C291 PolarHBondContact O-SG 3.05Å
288A94.6Very high95.7Very high0 Ų066.5 Ų66.50%038%0.376CS..Hα-helixtrans-64.6-39-179.100000111.8T284 C291 A292 F304T284-A288 VanDerWaalsContact O-CB 3.26Å; T284-A288 WeakPolarHBondContact O-CB 3.49Å; T284-A288 PolarHBondContact O-N 3.35Å; A288-C291 PolarHBondContact O-N 3.2Å; A288-A292 WeakPolarHBondContact O-CB 3.03Å; A288-A292 PolarHBondContact O-N 2.69Å; A288-F304 HydrophobicContact CB-CD1 4.36Å
289A94.8Very high95.5Very high45 Ų4567 Ų6737%0.37238%0.375SS..Hα-helixtrans-62.2-44.4176.400000112.4T285 L286 F287 A292 L293T285-A289 VanDerWaalsContact O-CB 3.28Å; T285-A289 WeakPolarHBondContact O-CB 3.37Å; T285-A289 PolarHBondContact O-N 3.09Å; L286-A289 PolarHBondContact O-N 2.95Å; F287-A289 VanDerWaalsContact C-N 3.34Å; F287-A289 PolarHBondContact O-N 3.36Å; A289-A292 PolarHBondContact O-N 3.17Å; A289-L293 PolarHBondContact O-N 3.16Å
290V96.1Very high95.2Very high87 Ų8766.5 Ų66.553%0.52737%0.365SS..Hα-helixtrans-64.3-43.2177174.20000110.9L286 F287 A292 L293L286-V290 WeakPolarHBondContact O-CG2 3.39Å; L286-V290 PolarHBondContact O-N 2.93Å; L286-V290 VanDerWaalsContact O-N 3.08Å; F287-V290 PolarHBondContact O-N 3.47Å; V290-A292 VanDerWaalsContact C-N 3.32Å; V290-A292 PolarHBondContact O-N 2.95Å; V290-L293 PolarHBondContact O-N 3.45Å
291C94.3Very high95.1Very high30 Ų3067.7 Ų67.720%0.20337%0.371CS..Hα-helixtrans-63.5-35.6176.6-710000112.8F287 A288 L293 T294 Q295 F304F287-C291 VanDerWaalsContact CZ-SG 3.6Å; F287-C291 PolarHBondContact O-N 3.42Å; F287-C291 PolarHBondContact O-SG 3.05Å; A288-C291 PolarHBondContact O-N 3.2Å; C291-L293 VanDerWaalsContact C-N 3.31Å; C291-L293 PolarHBondContact O-N 2.87Å; C291-T294 PolarHBondContact O-OG1 3.26Å; C291-Q295 VanDerWaalsContact O-CG 3.29Å; C291-Q295 WeakPolarHBondContact O-CG 3.34Å; C291-F304 HydrophobicContact CB-CD1 3.97Å; C291-F304 HydrophobicContact CB-CD2 4.45Å; C291-F304 HydrophobicContact CB-CE1 3.83Å; C291-F304 HydrophobicContact CB-CE2 4.34Å; C291-F304 HydrophobicContact CB-CG 4.29Å; C291-F304 HydrophobicContact CB-CZ 4.03Å
292A94.6Very high95Very high20 Ų2071.3 Ų71.317%0.16539%0.393CS..Hα-helixtrans-64.3-32.8-179.100000113.1A288 A289 V290 T294 Q295 F304A288-A292 WeakPolarHBondContact O-CB 3.03Å; A288-A292 PolarHBondContact O-N 2.69Å; A289-A292 PolarHBondContact O-N 3.17Å; V290-A292 VanDerWaalsContact C-N 3.32Å; V290-A292 PolarHBondContact O-N 2.95Å; A292-T294 VanDerWaalsContact C-N 3.28Å; A292-T294 PolarHBondContact O-N 3.32Å; A292-Q295 PolarHBondContact O-N 3.41Å; A292-F304 HydrophobicContact CB-CB 3.8Å
293L95.4Very high94.8Very high151 Ų15169.3 Ų69.379%0.79138%0.377SS*.Hα-helixtrans-64.5-29.2-176.1-69.1172.1000113.7A289 V290 C291A289-L293 PolarHBondContact O-N 3.16Å; V290-L293 PolarHBondContact O-N 3.45Å; C291-L293 VanDerWaalsContact C-N 3.31Å; C291-L293 PolarHBondContact O-N 2.87Å
294T95Very high94.7Very high111 Ų11165.9 Ų65.968%0.68136%0.359SS*.THydrogen-bonded Turntrans-99.8-1.7-176.259.80000113.5C291 A292C291-T294 PolarHBondContact O-OG1 3.26Å; A292-T294 VanDerWaalsContact C-N 3.28Å; A292-T294 PolarHBondContact O-N 3.32Å
295Q94.8Very high94.6Very high61 Ų6168.3 Ų68.329%0.28538%0.376SS..  trans-86.3137.8-178.9-68.4-68.3-19.700110.8C291 A292 I301 F304C291-Q295 VanDerWaalsContact O-CG 3.29Å; C291-Q295 WeakPolarHBondContact O-CG 3.34Å; A292-Q295 PolarHBondContact O-N 3.41Å; Q295-I301 HydrophobicContact CB-CG1 3.89Å; Q295-I301 VanDerWaalsContact O-CD1 3.32Å; Q295-I301 WeakPolarHBondContact O-CD1 3.45Å; Q295-F304 HydrophobicContact CG-CD2 4Å; Q295-F304 HydrophobicContact CG-CE2 3.8Å
296N94.9Very high94.5Very high150 Ų15067 Ų6780%0.80237%0.368SS*.  trans-97.4-26.4176.4-63.8-32.4000112.3I298N296-I298 PolarHBondContact O-N 2.9Å
297D94Very high94.4Very high82 Ų8261.7 Ų61.744%0.43934%0.341SS..  trans-75.4113.9-178.6-65.8-27.8000110.3K299 K300 I301D297-K299 PolarHBondContact O-N 2.96Å; D297-K299 VanDerWaalsContact O-N 3.15Å; D297-K300 HydrophobicContact CB-CB 4.05Å; D297-K300 HydrophobicContact CB-CD 3.98Å; D297-K300 HydrophobicContact CB-CG 3.96Å; D297-K300 WeakPolarHBondContact O-CA 3.42Å; D297-K300 PolarHBondContact O-N 2.72Å; D297-K300 WeakPolarHBondContact OD2-CD 3.37Å; D297-K300 WeakPolarHBondContact OD2-CE 3.14Å; D297-K300 IonicContact OD2-NZ 3.74Å; D297-K300 PolarHBondContact OD2-NZ 2.98Å; D297-I301 WeakPolarHBondContact O-CG1 3.3Å; D297-I301 PolarHBondContact O-N 3.41Å
298I93.7Very high94.3Very high134 Ų13459.3 Ų59.369%0.68733%0.333SS*.Hα-helixtrans-51.9-43-178.5-61.7169.7000111.5N296 K300 I301 V302N296-I298 PolarHBondContact O-N 2.9Å; I298-K300 VanDerWaalsContact C-N 3.33Å; I298-K300 PolarHBondContact O-N 2.74Å; I298-I301 PolarHBondContact O-N 3.07Å; I298-V302 WeakPolarHBondContact O-CG2 3.36Å; I298-V302 PolarHBondContact O-N 3.17Å
299K92.1Very high94.4Very high70 Ų7062.4 Ų62.430%0.30435%0.348SS..Hα-helixtrans-60.1-41.8177.6-64.3-165.7-166.6-174.80112.4M237 G239 T241 D297 V302 A303M237-K299 HydrophobicContact CB-CB 3.94Å; M237-K299 HydrophobicContact CB-CD 4.18Å; M237-K299 HydrophobicContact CG-CB 3.95Å; M237-K299 WeakPolarHBondContact O-CD 3.08Å; M237-K299 PolarHBondContact O-NZ 3.01Å; M237-K299 VanDerWaalsContact O-NZ 3.08Å; M237-K299 HydrophobicContact SD-CB 3.84Å; M237-K299 VanDerWaalsContact SD-O 3.39Å; G239-K299 PolarHBondContact O-NZ 2.99Å; G239-K299 VanDerWaalsContact O-NZ 3.07Å; T241-K299 HydrophobicContact CG2-CD 4.49Å; T241-K299 VanDerWaalsContact CG2-CE 3.44Å; D297-K299 PolarHBondContact O-N 2.96Å; D297-K299 VanDerWaalsContact O-N 3.15Å; K299-V302 PolarHBondContact O-N 2.99Å; K299-A303 WeakPolarHBondContact O-CB 3.43Å; K299-A303 PolarHBondContact O-N 2.99Å
300K91.6Very high94.4Very high57 Ų5760.3 Ų60.325%0.24833%0.33CS..Hα-helixtrans-71.1-35.9178.2-66.7-179.1-176148.90111.5M237 D297 I298 V302 A303 F304M237-K300 HydrophobicContact CG-CG 4.45Å; D297-K300 HydrophobicContact CB-CB 4.05Å; D297-K300 HydrophobicContact CB-CD 3.98Å; D297-K300 HydrophobicContact CB-CG 3.96Å; D297-K300 WeakPolarHBondContact O-CA 3.42Å; D297-K300 PolarHBondContact O-N 2.72Å; D297-K300 WeakPolarHBondContact OD2-CD 3.37Å; D297-K300 WeakPolarHBondContact OD2-CE 3.14Å; D297-K300 IonicContact OD2-NZ 3.74Å; D297-K300 PolarHBondContact OD2-NZ 2.98Å; I298-K300 VanDerWaalsContact C-N 3.33Å; I298-K300 PolarHBondContact O-N 2.74Å; K300-V302 VanDerWaalsContact C-N 3.33Å; K300-A303 VanDerWaalsContact O-CB 3.25Å; K300-A303 WeakPolarHBondContact O-CB 3.36Å; K300-A303 PolarHBondContact O-N 3.3Å; K300-F304 WeakPolarHBondContact O-CD2 3.23Å; K300-F304 PolarHBondContact O-N 2.92Å
301I94.9Very high94.4Very high63 Ų6356.2 Ų56.232%0.32331%0.305SS..Hα-helixtrans-59.9-47.4172.8-60.8169.1000109.6Q295 D297 I298 A303 F304 S305Q295-I301 HydrophobicContact CB-CG1 3.89Å; Q295-I301 VanDerWaalsContact O-CD1 3.32Å; Q295-I301 WeakPolarHBondContact O-CD1 3.45Å; D297-I301 WeakPolarHBondContact O-CG1 3.3Å; D297-I301 PolarHBondContact O-N 3.41Å; I298-I301 PolarHBondContact O-N 3.07Å; I301-A303 VanDerWaalsContact C-N 3.33Å; I301-A303 PolarHBondContact O-N 3.11Å; I301-F304 PolarHBondContact O-N 3.23Å; I301-S305 WeakPolarHBondContact O-CB 3.25Å; I301-S305 PolarHBondContact O-N 3.49Å
302V93.7Very high94.6Very high76 Ų7658.4 Ų58.446%0.46132%0.315SS..Hα-helixtrans-60.6-43.9175.7175.70000110.5I298 K299 K300 F304 S305 T306I298-V302 WeakPolarHBondContact O-CG2 3.36Å; I298-V302 PolarHBondContact O-N 3.17Å; K299-V302 PolarHBondContact O-N 2.99Å; K300-V302 VanDerWaalsContact C-N 3.33Å; V302-F304 PolarHBondContact O-N 3.45Å; V302-S305 WeakPolarHBondContact CA-OG 3.37Å; V302-S305 WeakPolarHBondContact O-CB 3.37Å; V302-S305 PolarHBondContact O-N 3.05Å; V302-S305 VanDerWaalsContact O-N 3.13Å; V302-S305 PolarHBondContact O-OG 3.32Å; V302-T306 HydrophobicContact CG1-CG2 4.46Å; V302-T306 WeakPolarHBondContact O-CG2 3.17Å; V302-T306 PolarHBondContact O-N 3.13Å
303A92.8Very high94.7Very high0 Ų057.4 Ų57.40%031%0.307CS..Hα-helixtrans-54.8-47.2175.400000113.7L233 M237 K299 K300 I301 T306 S307L233-A303 HydrophobicContact CD2-CB 3.49Å; L233-A303 VanDerWaalsContact CD2-CB 3.49Å; L233-A303 WeakPolarHBondContact CD2-O 3.44Å; M237-A303 HydrophobicContact CE-CB 3.45Å; M237-A303 VanDerWaalsContact CE-CB 3.45Å; M237-A303 HydrophobicContact CG-CB 4.05Å; M237-A303 HydrophobicContact SD-CB 4.11Å; K299-A303 WeakPolarHBondContact O-CB 3.43Å; K299-A303 PolarHBondContact O-N 2.99Å; K300-A303 VanDerWaalsContact O-CB 3.25Å; K300-A303 WeakPolarHBondContact O-CB 3.36Å; K300-A303 PolarHBondContact O-N 3.3Å; I301-A303 VanDerWaalsContact C-N 3.33Å; I301-A303 PolarHBondContact O-N 3.11Å; A303-T306 PolarHBondContact O-N 3.43Å; A303-T306 PolarHBondContact O-OG1 3.1Å; A303-S307 PolarHBondContact O-N 3.21Å
304F94.5Very high94.7Very high17 Ų1750.2 Ų50.28%0.07527%0.269CS..Hα-helixtrans-71.4-34177-74.6-64.1000111.8P234 A288 C291 A292 Q295 K300 I301 V302 T306 S307 S308P234-F304 HydrophobicContact CB-CE2 4.18Å; P234-F304 HydrophobicContact CB-CZ 3.98Å; P234-F304 HydrophobicContact CG-CD1 4.21Å; P234-F304 HydrophobicContact CG-CE1 3.56Å; P234-F304 HydrophobicContact CG-CE2 3.96Å; P234-F304 HydrophobicContact CG-CZ 3.41Å; P234-F304 VanDerWaalsContact CG-CZ 3.41Å; A288-F304 HydrophobicContact CB-CD1 4.36Å; C291-F304 HydrophobicContact CB-CD1 3.97Å; C291-F304 HydrophobicContact CB-CD2 4.45Å; C291-F304 HydrophobicContact CB-CE1 3.83Å; C291-F304 HydrophobicContact CB-CE2 4.34Å; C291-F304 HydrophobicContact CB-CG 4.29Å; C291-F304 HydrophobicContact CB-CZ 4.03Å; A292-F304 HydrophobicContact CB-CB 3.8Å; Q295-F304 HydrophobicContact CG-CD2 4Å; Q295-F304 HydrophobicContact CG-CE2 3.8Å; K300-F304 WeakPolarHBondContact O-CD2 3.23Å; K300-F304 PolarHBondContact O-N 2.92Å; I301-F304 PolarHBondContact O-N 3.23Å; V302-F304 PolarHBondContact O-N 3.45Å; F304-T306 VanDerWaalsContact C-N 3.33Å; F304-T306 PolarHBondContact O-N 3.34Å; F304-S307 PolarHBondContact O-N 3.34Å; F304-S308 PolarHBondContact O-N 3.42Å
305S94.6Very high94.8Very high53 Ų5346.5 Ų46.537%0.37125%0.246SC..Hα-helixtrans-61.4-41.8173.480.40000111.5I301 V302 S308 Q309I301-S305 WeakPolarHBondContact O-CB 3.25Å; I301-S305 PolarHBondContact O-N 3.49Å; V302-S305 WeakPolarHBondContact CA-OG 3.37Å; V302-S305 WeakPolarHBondContact O-CB 3.37Å; V302-S305 PolarHBondContact O-N 3.05Å; V302-S305 VanDerWaalsContact O-N 3.13Å; V302-S305 PolarHBondContact O-OG 3.32Å; S305-S308 WeakPolarHBondContact O-CB 3.49Å; S305-S308 PolarHBondContact O-N 3.49Å; S305-Q309 WeakPolarHBondContact O-CG 3.48Å; S305-Q309 PolarHBondContact O-N 3.35Å
306T94.5Very high94.9Very high6 Ų645 Ų454%0.03724%0.241CC..Hα-helixtrans-67.8-44.7176.363.70000111.1V302 A303 F304 S308 Q309 L310V302-T306 HydrophobicContact CG1-CG2 4.46Å; V302-T306 WeakPolarHBondContact O-CG2 3.17Å; V302-T306 PolarHBondContact O-N 3.13Å; A303-T306 PolarHBondContact O-N 3.43Å; A303-T306 PolarHBondContact O-OG1 3.1Å; F304-T306 VanDerWaalsContact C-N 3.33Å; F304-T306 PolarHBondContact O-N 3.34Å; T306-S308 PolarHBondContact O-N 3.46Å; T306-Q309 PolarHBondContact O-N 3.4Å; T306-L310 WeakPolarHBondContact O-CB 3.17Å; T306-L310 VanDerWaalsContact O-CD1 3.28Å; T306-L310 WeakPolarHBondContact O-CD1 3.49Å; T306-L310 WeakPolarHBondContact O-CG 3.3Å; T306-L310 PolarHBondContact O-N 3.41Å
307S94.3Very high94.9Very high8 Ų838.2 Ų38.26%0.05621%0.205CC..Hα-helixtrans-54.6-40.9174179.40000112.2A225 A303 F304 L310 G311A225-S307 PolarHBondContact O-OG 2.91Å; A303-S307 PolarHBondContact O-N 3.21Å; F304-S307 PolarHBondContact O-N 3.34Å; S307-L310 PolarHBondContact O-N 3.22Å; S307-G311 PolarHBondContact O-N 3.1Å
308S95.9Very high94.9Very high25 Ų2534.7 Ų34.718%0.17519%0.187CC..Hα-helixtrans-63.7-45.3173.6-176.70000112.2T285 F304 S305 T306 L310 G311 L312T285-S308 WeakPolarHBondContact CG2-O 3.35Å; T285-S308 PolarHBondContact O-OG 3.49Å; F304-S308 PolarHBondContact O-N 3.42Å; S305-S308 WeakPolarHBondContact O-CB 3.49Å; S305-S308 PolarHBondContact O-N 3.49Å; T306-S308 PolarHBondContact O-N 3.46Å; S308-L310 VanDerWaalsContact C-N 3.33Å; S308-L310 PolarHBondContact O-N 3.32Å; S308-G311 PolarHBondContact O-N 2.97Å; S308-L312 PolarHBondContact O-N 3.29Å
309Q96.6Very high95Very high65 Ų6533.3 Ų33.330%0.30418%0.181SC..Hα-helixtrans-65.7-36.8179.4-66.4-60.9-20.300112.3S305 T306 G311 L312 M313 H328S305-Q309 WeakPolarHBondContact O-CG 3.48Å; S305-Q309 PolarHBondContact O-N 3.35Å; T306-Q309 PolarHBondContact O-N 3.4Å; Q309-G311 VanDerWaalsContact C-N 3.35Å; Q309-L312 WeakPolarHBondContact O-CB 3.29Å; Q309-L312 PolarHBondContact O-N 3.15Å; Q309-L312 VanDerWaalsContact O-N 3.14Å; Q309-M313 WeakPolarHBondContact O-CG 3.47Å; Q309-M313 PolarHBondContact O-N 2.98Å; Q309-H328 PolarHBondContact OE1-CE1 3.17Å; Q309-H328 PolarHBondContact OE1-NE2 2.75Å
310L94.7Very high95.1Very high1 Ų132.1 Ų32.11%0.00518%0.178CC..Hα-helixtrans-67.4-36.5175.2-66.4159.5000111.8Q226 L233 V253 V254 I257 T306 S307 S308 L312 M313 M314Q226-L310 PolarHBondContact NE2-O 2.99Å; L233-L310 HydrophobicContact CD1-CD1 4.45Å; V253-L310 HydrophobicContact CB-CD1 3.84Å; V253-L310 HydrophobicContact CG1-CD1 3.09Å; V253-L310 HydrophobicContact CG1-CD2 4.26Å; V253-L310 HydrophobicContact CG1-CG 4.28Å; V254-L310 HydrophobicContact CG2-CD2 4.32Å; I257-L310 HydrophobicContact CD1-CB 3.8Å; I257-L310 HydrophobicContact CD1-CD2 3.32Å; I257-L310 HydrophobicContact CD1-CG 4.14Å; T306-L310 WeakPolarHBondContact O-CB 3.17Å; T306-L310 VanDerWaalsContact O-CD1 3.28Å; T306-L310 WeakPolarHBondContact O-CD1 3.49Å; T306-L310 WeakPolarHBondContact O-CG 3.3Å; T306-L310 PolarHBondContact O-N 3.41Å; S307-L310 PolarHBondContact O-N 3.22Å; S308-L310 VanDerWaalsContact C-N 3.33Å; S308-L310 PolarHBondContact O-N 3.32Å; L310-L312 VanDerWaalsContact C-N 3.32Å; L310-M313 HydrophobicContact CD2-SD 4.06Å; L310-M313 PolarHBondContact O-N 3.44Å; L310-M314 PolarHBondContact O-N 2.93Å
311G96.2Very high95.3Very high0 Ų034.1 Ų34.10%019%0.188CC..Hα-helixtrans-62-39.6168.800000112.1G281 T284 S307 S308 Q309 M314 V315G281-G311 WeakPolarHBondContact CA-O 3.42Å; T284-G311 VanDerWaalsContact OG1-CA 3.23Å; T284-G311 WeakPolarHBondContact OG1-CA 3.3Å; S307-G311 PolarHBondContact O-N 3.1Å; S308-G311 PolarHBondContact O-N 2.97Å; Q309-G311 VanDerWaalsContact C-N 3.35Å; G311-M314 VanDerWaalsContact O-CB 3.28Å; G311-M314 WeakPolarHBondContact O-CB 3.36Å; G311-M314 PolarHBondContact O-N 3.41Å; G311-M314 VanDerWaalsContact O-N 3.16Å; G311-V315 WeakPolarHBondContact O-CG2 3.05Å; G311-V315 PolarHBondContact O-N 3.46Å
312L97.1Very high95.3Very high76 Ų7631.3 Ų31.340%0.39817%0.174SC..Hα-helixtrans-65.5-41.8176-177.7143.1000111.7T285 S308 Q309 L310 M314 V315 T316T285-L312 HydrophobicContact CG2-CB 4.03Å; S308-L312 PolarHBondContact O-N 3.29Å; Q309-L312 WeakPolarHBondContact O-CB 3.29Å; Q309-L312 PolarHBondContact O-N 3.15Å; Q309-L312 VanDerWaalsContact O-N 3.14Å; L310-L312 VanDerWaalsContact C-N 3.32Å; L312-M314 VanDerWaalsContact C-N 3.27Å; L312-M314 PolarHBondContact O-N 3.33Å; L312-V315 WeakPolarHBondContact O-CB 3.43Å; L312-V315 PolarHBondContact O-N 2.92Å; L312-V315 VanDerWaalsContact O-N 3.17Å; L312-T316 HydrophobicContact CD2-CG2 4.47Å; L312-T316 PolarHBondContact O-N 2.82Å
313M96.8Very high95.4Very high0 Ų032.8 Ų32.80%018%0.175CC..Hα-helixtrans-59-40.8171.8-64.9169.3-169.700111.1I257 Q309 L310 V315 T316 I317 H328 I329 H332I257-M313 HydrophobicContact CD1-CB 3.9Å; I257-M313 HydrophobicContact CD1-SD 3.96Å; I257-M313 HydrophobicContact CG2-CB 4.03Å; Q309-M313 WeakPolarHBondContact O-CG 3.47Å; Q309-M313 PolarHBondContact O-N 2.98Å; L310-M313 HydrophobicContact CD2-SD 4.06Å; L310-M313 PolarHBondContact O-N 3.44Å; M313-V315 VanDerWaalsContact C-N 3.35Å; M313-V315 PolarHBondContact O-N 3.28Å; M313-T316 WeakPolarHBondContact CA-OG1 3.34Å; M313-T316 PolarHBondContact O-N 3.05Å; M313-T316 PolarHBondContact O-OG1 3.19Å; M313-I317 WeakPolarHBondContact O-CG1 3.42Å; M313-I317 PolarHBondContact O-N 2.96Å; M313-I317 VanDerWaalsContact O-N 3.11Å; M313-H328 HydrophobicContact CE-CB 4.3Å; M313-H328 WeakPolarHBondContact CE-CD2 3.48Å; M313-H328 HydrophobicContact CG-CB 4.41Å; M313-I329 HydrophobicContact CE-CG1 4.04Å; M313-I329 HydrophobicContact SD-CD1 4.41Å; M313-I329 HydrophobicContact SD-CG1 3.44Å; M313-I329 WeakPolarHBondContact SD-CG1 3.46Å; M313-H332 HydrophobicContact CE-CB 3.85Å
314M95.9Very high95.6Very high0 Ų037.5 Ų37.50%020%0.2CC..Hα-helixtrans-62-40.7175.3-163.977.7179.300112.3L217 L260 T277 L280 L310 G311 L312 I317 G318L217-M314 HydrophobicContact CG-CE 4.27Å; L260-M314 HydrophobicContact CD1-CE 3.3Å; L260-M314 HydrophobicContact CD1-SD 3.47Å; L260-M314 WeakPolarHBondContact CD1-SD 3.44Å; T277-M314 HydrophobicContact CG2-CE 3.51Å; T277-M314 WeakPolarHBondContact O-CG 3.37Å; L280-M314 HydrophobicContact CD2-CE 3.96Å; L280-M314 HydrophobicContact CD2-CG 4.38Å; L310-M314 PolarHBondContact O-N 2.93Å; G311-M314 VanDerWaalsContact O-CB 3.28Å; G311-M314 WeakPolarHBondContact O-CB 3.36Å; G311-M314 PolarHBondContact O-N 3.41Å; G311-M314 VanDerWaalsContact O-N 3.16Å; L312-M314 VanDerWaalsContact C-N 3.27Å; L312-M314 PolarHBondContact O-N 3.33Å; M314-I317 PolarHBondContact O-N 3.4Å; M314-G318 PolarHBondContact O-N 3.32Å
315V97.3Very high95.7Very high32 Ų3236.7 Ų36.719%0.19420%0.196CC..Hα-helixtrans-60.7-44.3173.8172.50000111L278 A282 G311 L312 M313 I317 G318 I319L278-V315 HydrophobicContact CG-CG1 4.38Å; A282-V315 HydrophobicContact CB-CG2 4.14Å; A282-V315 VanDerWaalsContact N-CG2 3.34Å; G311-V315 WeakPolarHBondContact O-CG2 3.05Å; G311-V315 PolarHBondContact O-N 3.46Å; L312-V315 WeakPolarHBondContact O-CB 3.43Å; L312-V315 PolarHBondContact O-N 2.92Å; L312-V315 VanDerWaalsContact O-N 3.17Å; M313-V315 VanDerWaalsContact C-N 3.35Å; M313-V315 PolarHBondContact O-N 3.28Å; V315-I317 VanDerWaalsContact C-N 3.29Å; V315-I317 PolarHBondContact O-N 3.16Å; V315-G318 WeakPolarHBondContact O-CA 3.41Å; V315-G318 PolarHBondContact O-N 2.98Å; V315-I319 HydrophobicContact CG1-CD1 4.11Å; V315-I319 PolarHBondContact O-N 2.99Å; V315-I319 VanDerWaalsContact O-N 3.11Å
316T96.7Very high95.8Very high31 Ų3134.2 Ų34.219%0.1918%0.179CC..Hα-helixtrans-63.6-34179.1570000113L312 M313 G318 I319 Q321 A325L312-T316 HydrophobicContact CD2-CG2 4.47Å; L312-T316 PolarHBondContact O-N 2.82Å; M313-T316 WeakPolarHBondContact CA-OG1 3.34Å; M313-T316 PolarHBondContact O-N 3.05Å; M313-T316 PolarHBondContact O-OG1 3.19Å; T316-G318 VanDerWaalsContact C-N 3.35Å; T316-I319 PolarHBondContact O-N 3.16Å; T316-Q321 PolarHBondContact O-N 2.97Å; T316-A325 WeakPolarHBondContact OG1-CA 3.18Å; T316-A325 WeakPolarHBondContact OG1-CB 3.31Å
317I95.1Very high95.9Very high7 Ų738.3 Ų38.34%0.03620%0.2CC..Hα-helixtrans-66.7-38.7171.4-65171.6000110.6I257 L260 I261 M313 M314 V315 I319 N320 A325I257-I317 HydrophobicContact CG2-CD1 3.55Å; L260-I317 HydrophobicContact CB-CD1 4Å; L260-I317 HydrophobicContact CB-CG2 4.44Å; I261-I317 HydrophobicContact CD1-CD1 4.44Å; I261-I317 HydrophobicContact CG1-CD1 3.81Å; I261-I317 HydrophobicContact CG1-CG1 4.27Å; M313-I317 WeakPolarHBondContact O-CG1 3.42Å; M313-I317 PolarHBondContact O-N 2.96Å; M313-I317 VanDerWaalsContact O-N 3.11Å; M314-I317 PolarHBondContact O-N 3.4Å; V315-I317 VanDerWaalsContact C-N 3.29Å; V315-I317 PolarHBondContact O-N 3.16Å; I317-I319 VanDerWaalsContact C-N 3.28Å; I317-I319 PolarHBondContact O-N 3.35Å; I317-N320 PolarHBondContact O-N 3.43Å; I317-A325 HydrophobicContact CD1-CB 4.38Å; I317-A325 HydrophobicContact CG1-CB 3.86Å
318G94.4Very high96Very high7 Ų740.2 Ų40.27%0.07221%0.208CC..Hα-helixtrans-63.8-26.7176.400000114.9Q274 T277 M314 V315 T316 N320Q274-G318 WeakPolarHBondContact CB-O 3.33Å; Q274-G318 WeakPolarHBondContact O-CA 3.22Å; T277-G318 WeakPolarHBondContact OG1-CA 3.28Å; M314-G318 PolarHBondContact O-N 3.32Å; V315-G318 WeakPolarHBondContact O-CA 3.41Å; V315-G318 PolarHBondContact O-N 2.98Å; T316-G318 VanDerWaalsContact C-N 3.35Å; G318-N320 VanDerWaalsContact C-N 3.27Å
319I95.5Very high95.9Very high106 Ų10639 Ų3954%0.54420%0.2SC..THydrogen-bonded Turntrans-90.910.7173.8-50.1169.5000111.4L278 V315 T316 I317L278-I319 HydrophobicContact CD1-CD1 4.22Å; L278-I319 HydrophobicContact CD1-CG1 3.57Å; V315-I319 HydrophobicContact CG1-CD1 4.11Å; V315-I319 PolarHBondContact O-N 2.99Å; V315-I319 VanDerWaalsContact O-N 3.11Å; T316-I319 PolarHBondContact O-N 3.16Å; I317-I319 VanDerWaalsContact C-N 3.28Å; I317-I319 PolarHBondContact O-N 3.35Å
320N94.4Very high95.9Very high45 Ų4537.3 Ų37.324%0.24119%0.194CC..THydrogen-bonded Turntrans64.539.1179.6-146.955.4000114.5H264 E268 Q274 I317 G318 P322H264-N320 PolarHBondContact NE2-OD1 2.96Å; E268-N320 VanDerWaalsContact CG-OD1 3.26Å; E268-N320 WeakPolarHBondContact CG-OD1 3.48Å; E268-N320 PolarHBondContact OE1-ND2 2.96Å; Q274-N320 PolarHBondContact NE2-OD1 2.65Å; I317-N320 PolarHBondContact O-N 3.43Å; G318-N320 VanDerWaalsContact C-N 3.27Å; N320-P322 VanDerWaalsContact C-CD 3.44Å; N320-P322 WeakPolarHBondContact O-CD 3.34Å
321Q95.9Very high95.9Very high98 Ų9841.8 Ų41.846%0.45822%0.222SC..  trans-122.564.6177.1-64.8-64.2-39.600111.5T316 H323 L324 A325T316-Q321 PolarHBondContact O-N 2.97Å; Q321-H323 VanDerWaalsContact C-N 3.34Å; Q321-H323 PolarHBondContact O-N 3.2Å; Q321-L324 HydrophobicContact CB-CB 4.37Å; Q321-L324 HydrophobicContact CB-CD1 4.04Å; Q321-L324 HydrophobicContact CB-CG 4.42Å; Q321-L324 HydrophobicContact CG-CD1 4.36Å; Q321-L324 PolarHBondContact O-N 2.74Å; Q321-A325 PolarHBondContact O-N 2.99Å
322P94.5Very high95.8Very high5 Ų543.9 Ų43.93%0.03223%0.232CC..Hα-helixtrans-68.5-29.8-173.533.6-42.5000113.1I261 H264 N320 L324 A325 F326I261-P322 HydrophobicContact CG1-CB 4.33Å; I261-P322 HydrophobicContact CG2-CB 4.33Å; H264-P322 HydrophobicContact CB-CB 4.16Å; H264-P322 HydrophobicContact CB-CG 4.2Å; H264-P322 WeakPolarHBondContact CD2-CG 3.33Å; H264-P322 WeakPolarHBondContact NE2-CD 3.42Å; H264-P322 WeakPolarHBondContact NE2-CG 3.47Å; N320-P322 VanDerWaalsContact C-CD 3.44Å; N320-P322 WeakPolarHBondContact O-CD 3.34Å; P322-L324 VanDerWaalsContact C-N 3.34Å; P322-A325 WeakPolarHBondContact O-CB 3.43Å; P322-A325 PolarHBondContact O-N 2.85Å; P322-F326 WeakPolarHBondContact O-CB 3.01Å; P322-F326 PolarHBondContact O-N 3.41Å
323H95.9Very high95.5Very high107 Ų10742.2 Ų42.250%0.49523%0.229SC..Hα-helixtrans-68.7-35.1179.3-65.4-73.7000111.6F85 Q321 F326 L327F85-H323 AromaticContact CE1-ND1 3.77Å; F85-H323 AromaticContact CZ-CE1 3.7Å; F85-H323 AromaticContact CZ-ND1 3.75Å; Q321-H323 VanDerWaalsContact C-N 3.34Å; Q321-H323 PolarHBondContact O-N 3.2Å; H323-F326 PolarHBondContact O-N 3.18Å; H323-L327 WeakPolarHBondContact O-CB 3.4Å; H323-L327 PolarHBondContact O-N 3.09Å
324L96.7Very high95.4Very high99 Ų9944.4 Ų44.452%0.51824%0.241SC..Hα-helixtrans-68.3-41.1172.4-67.8179.1000111.2Q321 P322 F326 L327 H328Q321-L324 HydrophobicContact CB-CB 4.37Å; Q321-L324 HydrophobicContact CB-CD1 4.04Å; Q321-L324 HydrophobicContact CB-CG 4.42Å; Q321-L324 HydrophobicContact CG-CD1 4.36Å; Q321-L324 PolarHBondContact O-N 2.74Å; P322-L324 VanDerWaalsContact C-N 3.34Å; L324-F326 VanDerWaalsContact C-N 3.27Å; L324-F326 PolarHBondContact O-N 3.11Å; L324-L327 PolarHBondContact O-N 3.44Å; L324-H328 WeakPolarHBondContact O-CB 3.18Å; L324-H328 PolarHBondContact O-N 2.67Å
325A96.1Very high95.4Very high0 Ų046.7 Ų46.70%025%0.253CS..Hα-helixtrans-56.7-45.3172.900000110.9I261 T316 I317 Q321 P322 H328 I329I261-A325 HydrophobicContact CD1-CB 4.09Å; I261-A325 HydrophobicContact CG1-CB 4.47Å; T316-A325 WeakPolarHBondContact OG1-CA 3.18Å; T316-A325 WeakPolarHBondContact OG1-CB 3.31Å; I317-A325 HydrophobicContact CD1-CB 4.38Å; I317-A325 HydrophobicContact CG1-CB 3.86Å; Q321-A325 PolarHBondContact O-N 2.99Å; P322-A325 WeakPolarHBondContact O-CB 3.43Å; P322-A325 PolarHBondContact O-N 2.85Å; A325-H328 PolarHBondContact O-N 3.26Å; A325-I329 WeakPolarHBondContact O-CG1 3.27Å; A325-I329 PolarHBondContact O-N 2.94Å
326F96.4Very high95.3Very high1 Ų147.5 Ų47.50%0.00426%0.257CS..Hα-helixtrans-66.6-41.9178.5-177.6-100.9000113.4Y84 F85 M88 F89 F258 I261 P322 H323 L324 H328 I329 C330Y84-F326 HydrophobicContact CD1-CD1 4.29Å; Y84-F326 HydrophobicContact CD1-CE1 4.36Å; Y84-F326 AromaticContact CE1-CD1 3.62Å; Y84-F326 HydrophobicContact CE1-CD1 3.62Å; Y84-F326 AromaticContact CE1-CE1 3.87Å; Y84-F326 HydrophobicContact CE1-CE1 3.87Å; F85-F326 HydrophobicContact CB-CD2 4.41Å; F85-F326 HydrophobicContact CB-CE2 4.06Å; F85-F326 HydrophobicContact CB-CZ 4.34Å; F85-F326 HydrophobicContact CD1-CB 3.95Å; F85-F326 AromaticContact CD1-CD1 3.8Å; F85-F326 HydrophobicContact CD1-CD1 3.8Å; F85-F326 AromaticContact CD1-CD2 3.55Å; F85-F326 HydrophobicContact CD1-CD2 3.55Å; F85-F326 HydrophobicContact CD1-CE1 4.18Å; F85-F326 AromaticContact CD1-CE2 3.97Å; F85-F326 HydrophobicContact CD1-CE2 3.97Å; F85-F326 AromaticContact CD1-CG 3.45Å; F85-F326 HydrophobicContact CD1-CG 3.45Å; F85-F326 VanDerWaalsContact CD1-CG 3.45Å; F85-F326 HydrophobicContact CD1-CZ 4.27Å; F85-F326 HydrophobicContact CE1-CB 3.83Å; F85-F326 HydrophobicContact CE1-CD1 4.26Å; F85-F326 HydrophobicContact CE1-CD2 4.3Å; F85-F326 AromaticContact CE1-CG 3.86Å; F85-F326 HydrophobicContact CE1-CG 3.86Å; F85-F326 HydrophobicContact CG-CD2 4.39Å; F85-F326 WeakPolarHBondContact O-CZ 3.41Å; M88-F326 HydrophobicContact CB-CE1 3.57Å; M88-F326 HydrophobicContact CB-CZ 3.75Å; M88-F326 HydrophobicContact CG-CE1 4.27Å; F89-F326 HydrophobicContact CB-CE2 4.11Å; F89-F326 HydrophobicContact CB-CZ 4Å; F89-F326 HydrophobicContact CD2-CE2 4.35Å; F258-F326 HydrophobicContact CD2-CE2 4.33Å; F258-F326 HydrophobicContact CE2-CE2 4.09Å; I261-F326 HydrophobicContact CD1-CB 4.11Å; P322-F326 WeakPolarHBondContact O-CB 3.01Å; P322-F326 PolarHBondContact O-N 3.41Å; H323-F326 PolarHBondContact O-N 3.18Å; L324-F326 VanDerWaalsContact C-N 3.27Å; L324-F326 PolarHBondContact O-N 3.11Å; F326-H328 VanDerWaalsContact C-N 3.27Å; F326-H328 PolarHBondContact O-N 2.98Å; F326-I329 WeakPolarHBondContact O-CB 3.48Å; F326-I329 PolarHBondContact O-N 3.23Å; F326-C330 PolarHBondContact O-N 3.38Å; F326-C330 VanDerWaalsContact O-N 3.13Å
327L96.8Very high95.2Very high92 Ų9248.5 Ų48.548%0.48226%0.26SS..Hα-helixtrans-59.4-44.4173.8-176.5149.1000110.4H323 L324 I329 C330 T331H323-L327 WeakPolarHBondContact O-CB 3.4Å; H323-L327 PolarHBondContact O-N 3.09Å; L324-L327 PolarHBondContact O-N 3.44Å; L327-I329 VanDerWaalsContact C-N 3.32Å; L327-I329 PolarHBondContact O-N 3.41Å; L327-C330 PolarHBondContact O-N 3.36Å; L327-C330 VanDerWaalsContact O-N 3.14Å; L327-T331 HydrophobicContact CD2-CG2 4.11Å; L327-T331 PolarHBondContact O-N 3.35Å; L327-T331 PolarHBondContact O-OG1 3.1Å
328H96.4Very high95.2Very high48 Ų4851.1 Ų51.122%0.22227%0.274CS..Hα-helixtrans-62.7-38.3177.7-166.849.2000112.3Q309 M313 L324 A325 F326 C330 T331 H332Q309-H328 PolarHBondContact OE1-CE1 3.17Å; Q309-H328 PolarHBondContact OE1-NE2 2.75Å; M313-H328 HydrophobicContact CE-CB 4.3Å; M313-H328 WeakPolarHBondContact CE-CD2 3.48Å; M313-H328 HydrophobicContact CG-CB 4.41Å; L324-H328 WeakPolarHBondContact O-CB 3.18Å; L324-H328 PolarHBondContact O-N 2.67Å; A325-H328 PolarHBondContact O-N 3.26Å; F326-H328 VanDerWaalsContact C-N 3.27Å; F326-H328 PolarHBondContact O-N 2.98Å; H328-C330 VanDerWaalsContact C-N 3.33Å; H328-C330 PolarHBondContact O-N 2.75Å; H328-T331 WeakPolarHBondContact CA-OG1 3.25Å; H328-T331 PolarHBondContact O-N 3.33Å; H328-T331 PolarHBondContact O-OG1 3.18Å; H328-T331 VanDerWaalsContact O-OG1 3.07Å; H328-H332 WeakPolarHBondContact O-CB 3.06Å; H328-H332 PolarHBondContact O-N 3.22Å
329I95.3Very high95.2Very high0 Ų054 Ų540%029%0.288CS..Hα-helixtrans-54.1-50.5171.8-74.4167000110.5F89 V254 I257 I261 M313 A325 F326 L327 T331 H332 A333F89-I329 HydrophobicContact CD2-CG2 4.21Å; F89-I329 HydrophobicContact CE2-CG2 3.91Å; V254-I329 HydrophobicContact CB-CG2 4.48Å; V254-I329 HydrophobicContact CG1-CB 4.24Å; V254-I329 HydrophobicContact CG1-CD1 3.74Å; V254-I329 HydrophobicContact CG1-CG1 3.88Å; V254-I329 HydrophobicContact CG1-CG2 3.33Å; V254-I329 HydrophobicContact CG2-CG2 4.34Å; I257-I329 HydrophobicContact CB-CD1 4.43Å; I257-I329 HydrophobicContact CG2-CD1 3.87Å; I261-I329 HydrophobicContact CD1-CD1 3.59Å; M313-I329 HydrophobicContact CE-CG1 4.04Å; M313-I329 HydrophobicContact SD-CD1 4.41Å; M313-I329 HydrophobicContact SD-CG1 3.44Å; M313-I329 WeakPolarHBondContact SD-CG1 3.46Å; A325-I329 WeakPolarHBondContact O-CG1 3.27Å; A325-I329 PolarHBondContact O-N 2.94Å; F326-I329 WeakPolarHBondContact O-CB 3.48Å; F326-I329 PolarHBondContact O-N 3.23Å; L327-I329 VanDerWaalsContact C-N 3.32Å; L327-I329 PolarHBondContact O-N 3.41Å; I329-T331 VanDerWaalsContact C-N 3.35Å; I329-T331 PolarHBondContact O-N 3.37Å; I329-H332 PolarHBondContact O-N 3.05Å; I329-A333 WeakPolarHBondContact O-CB 3.38Å; I329-A333 PolarHBondContact O-N 2.71Å; I329-A333 VanDerWaalsContact O-N 3.14Å
330C95.1Very high95.2Very high28 Ų2850.3 Ų50.319%0.18927%0.27CS..Hα-helixtrans-67.1-33.8-177.3-67.50000112.9V92 F326 L327 H328V92-C330 HydrophobicContact CG2-CB 4.29Å; F326-C330 PolarHBondContact O-N 3.38Å; F326-C330 VanDerWaalsContact O-N 3.13Å; L327-C330 PolarHBondContact O-N 3.36Å; L327-C330 VanDerWaalsContact O-N 3.14Å; H328-C330 VanDerWaalsContact C-N 3.33Å; H328-C330 PolarHBondContact O-N 2.75Å
331T95.4Very high95.3Very high95 Ų9550.7 Ų50.758%0.58327%0.272SS*.Hα-helixtrans-82-26178.753.60000113.7L327 H328 I329L327-T331 HydrophobicContact CD2-CG2 4.11Å; L327-T331 PolarHBondContact O-N 3.35Å; L327-T331 PolarHBondContact O-OG1 3.1Å; H328-T331 WeakPolarHBondContact CA-OG1 3.25Å; H328-T331 PolarHBondContact O-N 3.33Å; H328-T331 PolarHBondContact O-OG1 3.18Å; H328-T331 VanDerWaalsContact O-OG1 3.07Å; I329-T331 VanDerWaalsContact C-N 3.35Å; I329-T331 PolarHBondContact O-N 3.37Å
332H94.3Very high95.2Very high44 Ų4446.8 Ų46.820%0.20426%0.256CS..Hα-helixtrans-75.7-31.4175.6176.2-85.7000112.2S249 M313 H328 I329S249-H332 PolarHBondContact O-ND1 2.77Å; M313-H332 HydrophobicContact CE-CB 3.85Å; H328-H332 WeakPolarHBondContact O-CB 3.06Å; H328-H332 PolarHBondContact O-N 3.22Å; I329-H332 PolarHBondContact O-N 3.05Å
333A89.8Confident95.3Very high42 Ų4250.5 Ų50.535%0.34728%0.277SS..  trans-62.60-178.200000113.7V92 V96 S249 I329V92-A333 HydrophobicContact CG1-CB 3.82Å; V96-A333 HydrophobicContact CG2-CB 4.44Å; S249-A333 WeakPolarHBondContact CB-O 3.4Å; S249-A333 PolarHBondContact OG-O 3.35Å; I329-A333 WeakPolarHBondContact O-CB 3.38Å; I329-A333 PolarHBondContact O-N 2.71Å; I329-A333 VanDerWaalsContact O-N 3.14Å

Retrieved 333 of 333 residues in 676.5 ms (Link to these results)

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