CXB1_HUMAN Loading...

Gap junction beta-1 protein

One gap junction consists of a cluster of closely packed pairs of transmembrane channels, the connexons, through which materials of low MW diffuse from one cell to a neighboring cell.

AlphaFold DB , UniProt , Accession P08034, Species HUMAN (Homo sapiens, Human), Gene GJB1, Length 283 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M57.1Low71.7Confident187 Ų18797.2 Ų97.292%0.92151%0.511SS*.  0121.50-104.5150.760.300108.9W3M1-W3 HydrophobicContact CE-CH2 4.13Å; M1-W3 HydrophobicContact CE-CZ2 4.03Å; M1-W3 PolarHBondContact O-N 3.4Å
2N75.9Confident71.5Confident146 Ų14691.5 Ų91.578%0.78149%0.494SS*.  trans-77.288.5178.1-71.5-20000109.8T4 G5 L6N2-T4 PolarHBondContact O-N 3.25Å; N2-T4 VanDerWaalsContact O-N 3.12Å; N2-G5 PolarHBondContact O-N 2.69Å; N2-L6 PolarHBondContact O-N 3.42Å
3W72.5Confident71.5Confident118 Ų11884.9 Ų84.945%0.44746%0.458SS..Hα-helixtrans-51.6-32.9177.6-73.2108.2000113.2M1 G5 L6 Y7 I33 V37M1-W3 HydrophobicContact CE-CH2 4.13Å; M1-W3 HydrophobicContact CE-CZ2 4.03Å; M1-W3 PolarHBondContact O-N 3.4Å; W3-G5 VanDerWaalsContact C-N 3.32Å; W3-G5 PolarHBondContact O-N 2.83Å; W3-L6 HydrophobicContact CE3-CD2 3.99Å; W3-L6 HydrophobicContact CZ3-CD2 3.77Å; W3-L6 PolarHBondContact O-N 2.95Å; W3-Y7 WeakPolarHBondContact O-CB 3.3Å; W3-Y7 PolarHBondContact O-N 2.68Å; W3-I33 HydrophobicContact CH2-CG2 3.74Å; W3-I33 HydrophobicContact CZ3-CG2 3.66Å; W3-V37 HydrophobicContact CH2-CG2 3.76Å; W3-V37 HydrophobicContact CZ2-CG2 4.01Å
4T77.3Confident71.7Confident108 Ų10883.8 Ų83.866%0.66345%0.452SS*.Hα-helixtrans-59-40.8174.6-39.80000112.5N2 Y7 T8N2-T4 PolarHBondContact O-N 3.25Å; N2-T4 VanDerWaalsContact O-N 3.12Å; T4-Y7 PolarHBondContact O-N 3.47Å; T4-T8 WeakPolarHBondContact O-CG2 3.39Å; T4-T8 PolarHBondContact O-N 3.34Å; T4-T8 PolarHBondContact O-OG1 2.79Å
5G75.9Confident71.6Confident29 Ų2986.7 Ų86.730%0.29945%0.454SS..Hα-helixtrans-68.3-38.1178.100000112.5N2 W3 T8 L9N2-G5 PolarHBondContact O-N 2.69Å; W3-G5 VanDerWaalsContact C-N 3.32Å; W3-G5 PolarHBondContact O-N 2.83Å; G5-T8 WeakPolarHBondContact CA-OG1 3.35Å; G5-T8 PolarHBondContact O-N 2.87Å; G5-T8 PolarHBondContact O-OG1 2.82Å; G5-L9 WeakPolarHBondContact O-CB 3.12Å; G5-L9 WeakPolarHBondContact O-CG 3.46Å; G5-L9 PolarHBondContact O-N 3.4Å
6L70.8Confident71.4Confident57 Ų5784.2 Ų84.230%0.29844%0.439SS..Hα-helixtrans-65.5-43.6174.2-178.662.9000111N2 W3 T8 L9 L10 F29 I33N2-L6 PolarHBondContact O-N 3.42Å; W3-L6 HydrophobicContact CE3-CD2 3.99Å; W3-L6 HydrophobicContact CZ3-CD2 3.77Å; W3-L6 PolarHBondContact O-N 2.95Å; L6-T8 PolarHBondContact O-N 3.37Å; L6-L9 PolarHBondContact O-N 2.99Å; L6-L10 HydrophobicContact CD1-CD1 3.99Å; L6-L10 HydrophobicContact CD1-CG 4.23Å; L6-L10 HydrophobicContact CG-CD1 3.86Å; L6-L10 HydrophobicContact CG-CG 4.47Å; L6-L10 WeakPolarHBondContact O-CB 3.15Å; L6-L10 VanDerWaalsContact O-CG 3.25Å; L6-L10 WeakPolarHBondContact O-CG 3.2Å; L6-L10 PolarHBondContact O-N 2.87Å; L6-F29 HydrophobicContact CD2-CE2 4.33Å; L6-F29 HydrophobicContact CG-CE2 4.5Å; L6-I33 HydrophobicContact CD2-CD1 4.1Å
7Y71.8Confident71.5Confident146 Ų14680.2 Ų80.257%0.57342%0.42SS*.Hα-helixtrans-60.7-44.4177.1-179.4-95.8000112.2W3 T4 L10 S11 F29W3-Y7 WeakPolarHBondContact O-CB 3.3Å; W3-Y7 PolarHBondContact O-N 2.68Å; T4-Y7 PolarHBondContact O-N 3.47Å; Y7-L10 PolarHBondContact O-N 2.87Å; Y7-S11 WeakPolarHBondContact O-CB 3.27Å; Y7-S11 PolarHBondContact O-N 2.95Å; Y7-F29 HydrophobicContact CD2-CZ 4.44Å
8T76Confident72Confident83 Ų8376.7 Ų76.751%0.50940%0.403SS..Hα-helixtrans-66-41.5178.554.90000112.1T4 G5 L6 S11 G12T4-T8 WeakPolarHBondContact O-CG2 3.39Å; T4-T8 PolarHBondContact O-N 3.34Å; T4-T8 PolarHBondContact O-OG1 2.79Å; G5-T8 WeakPolarHBondContact CA-OG1 3.35Å; G5-T8 PolarHBondContact O-N 2.87Å; G5-T8 PolarHBondContact O-OG1 2.82Å; L6-T8 PolarHBondContact O-N 3.37Å; T8-S11 PolarHBondContact O-N 2.79Å; T8-G12 PolarHBondContact O-N 3.5Å
9L72.5Confident72.6Confident101 Ų10175.8 Ų75.853%0.52941%0.408SS..Hα-helixtrans-59.1-49.2174.6-72.9171.7000111G5 L6 G12 V13 L89G5-L9 WeakPolarHBondContact O-CB 3.12Å; G5-L9 WeakPolarHBondContact O-CG 3.46Å; G5-L9 PolarHBondContact O-N 3.4Å; L6-L9 PolarHBondContact O-N 2.99Å; L9-G12 WeakPolarHBondContact O-CA 3.15Å; L9-G12 PolarHBondContact O-N 3.18Å; L9-G12 VanDerWaalsContact O-N 3.13Å; L9-V13 VanDerWaalsContact O-CG2 3.3Å; L9-V13 WeakPolarHBondContact O-CG2 3.31Å; L9-V13 PolarHBondContact O-N 2.97Å; L9-L89 HydrophobicContact CB-CD2 4.5Å
10L68.9Low73.1Confident30 Ų3074.5 Ų74.516%0.15740%0.4CS..Hα-helixtrans-66.9-38.7-179.3-70171.9000112.8L6 Y7 G12 V13 N14 L25 F29L6-L10 HydrophobicContact CD1-CD1 3.99Å; L6-L10 HydrophobicContact CD1-CG 4.23Å; L6-L10 HydrophobicContact CG-CD1 3.86Å; L6-L10 HydrophobicContact CG-CG 4.47Å; L6-L10 WeakPolarHBondContact O-CB 3.15Å; L6-L10 VanDerWaalsContact O-CG 3.25Å; L6-L10 WeakPolarHBondContact O-CG 3.2Å; L6-L10 PolarHBondContact O-N 2.87Å; Y7-L10 PolarHBondContact O-N 2.87Å; L10-G12 PolarHBondContact O-N 3Å; L10-V13 PolarHBondContact O-N 3.09Å; L10-N14 WeakPolarHBondContact O-CB 3.26Å; L10-N14 PolarHBondContact O-N 3.45Å; L10-L25 HydrophobicContact CD2-CD2 4.35Å; L10-F29 HydrophobicContact CD1-CB 4.29Å; L10-F29 HydrophobicContact CD1-CD2 3.06Å; L10-F29 HydrophobicContact CD1-CE2 3.47Å; L10-F29 VanDerWaalsContact CD1-CE2 3.47Å; L10-F29 HydrophobicContact CD1-CG 3.88Å
11S69.6Low73.6Confident64 Ų6471 Ų7145%0.44838%0.382SS..Hα-helixtrans-61-35.2172.5-175.90000111.6Y7 T8 R15Y7-S11 WeakPolarHBondContact O-CB 3.27Å; Y7-S11 PolarHBondContact O-N 2.95Å; T8-S11 PolarHBondContact O-N 2.79Å; S11-R15 PolarHBondContact O-N 2.64Å
12G69.3Low74.9Confident29 Ų2966.8 Ų66.830%0.29936%0.355SS..Hα-helixtrans-61.3-52.3171.500000111.8T8 L9 L10 N14 R15 H16T8-G12 PolarHBondContact O-N 3.5Å; L9-G12 WeakPolarHBondContact O-CA 3.15Å; L9-G12 PolarHBondContact O-N 3.18Å; L9-G12 VanDerWaalsContact O-N 3.13Å; L10-G12 PolarHBondContact O-N 3Å; G12-N14 VanDerWaalsContact C-N 3.29Å; G12-N14 PolarHBondContact O-N 3.37Å; G12-R15 WeakPolarHBondContact O-CB 3.38Å; G12-R15 PolarHBondContact O-N 3.32Å; G12-H16 PolarHBondContact O-CD2 3.46Å
13V71.7Confident75.5Confident6 Ų663.3 Ų63.34%0.03634%0.339CS..Hα-helixtrans-60.6-39.4179.4-165.80000111.8L9 L10 R15 H16 S17 L25 A88 L89 A92L9-V13 VanDerWaalsContact O-CG2 3.3Å; L9-V13 WeakPolarHBondContact O-CG2 3.31Å; L9-V13 PolarHBondContact O-N 2.97Å; L10-V13 PolarHBondContact O-N 3.09Å; V13-R15 VanDerWaalsContact C-N 3.28Å; V13-R15 PolarHBondContact O-N 3.28Å; V13-H16 PolarHBondContact O-N 3.01Å; V13-S17 PolarHBondContact O-N 3.35Å; V13-S17 PolarHBondContact O-OG 2.96Å; V13-L25 HydrophobicContact CB-CD1 3.99Å; V13-L25 HydrophobicContact CB-CD2 4.39Å; V13-L25 HydrophobicContact CG1-CD1 3.76Å; V13-L25 HydrophobicContact CG1-CD2 4.06Å; V13-A88 HydrophobicContact CG1-CB 4.32Å; V13-L89 HydrophobicContact CG2-CD2 4.04Å; V13-A92 HydrophobicContact CB-CB 4.17Å; V13-A92 HydrophobicContact CG1-CB 4.22Å; V13-A92 HydrophobicContact CG2-CB 3.65Å
14N75.2Confident76.3Confident69 Ų6957.9 Ų57.937%0.36932%0.319SS..Hα-helixtrans-61.1-36.1-178.5-163.723.9000112.3L10 G12 H16 R22 L25L10-N14 WeakPolarHBondContact O-CB 3.26Å; L10-N14 PolarHBondContact O-N 3.45Å; G12-N14 VanDerWaalsContact C-N 3.29Å; G12-N14 PolarHBondContact O-N 3.37Å; N14-H16 VanDerWaalsContact C-N 3.28Å; N14-H16 PolarHBondContact O-N 2.88Å; N14-R22 WeakPolarHBondContact O-CD 3.43Å; N14-R22 VanDerWaalsContact OD1-CB 3.28Å; N14-R22 WeakPolarHBondContact OD1-CB 3.29Å; N14-R22 WeakPolarHBondContact OD1-CD 3.49Å; N14-R22 WeakPolarHBondContact OD1-CG 3.26Å; N14-L25 HydrophobicContact CB-CD1 4.26Å
15R69Low76.6Confident127 Ų12753.3 Ų53.348%0.47929%0.29SS..Hα-helixtrans-65.1-30.3179.4-172.2-179.6179.5135.85.8113.1S11 G12 V13 K121S11-R15 PolarHBondContact O-N 2.64Å; G12-R15 WeakPolarHBondContact O-CB 3.38Å; G12-R15 PolarHBondContact O-N 3.32Å; V13-R15 VanDerWaalsContact C-N 3.28Å; V13-R15 PolarHBondContact O-N 3.28Å; R15-K121 VanDerWaalsContact NH2-C 3.28Å; R15-K121 PolarHBondContact NH2-O 2.94Å
16H68.4Low77Confident47 Ų4754.4 Ų54.422%0.21829%0.293CS..Hα-helixtrans-103.1-3.2-172.6-57.2-63.2000113.7G12 V13 N14 V95G12-H16 PolarHBondContact O-CD2 3.46Å; V13-H16 PolarHBondContact O-N 3.01Å; N14-H16 VanDerWaalsContact C-N 3.28Å; N14-H16 PolarHBondContact O-N 2.88Å; H16-V95 HydrophobicContact CB-CG1 4.38Å; H16-V95 WeakPolarHBondContact ND1-CG1 3.48Å
17S73.7Confident77.6Confident16 Ų1652.6 Ų52.611%0.11228%0.284CS..SBendtrans-90.1153.8-175.5-640000113.3V13 R22V13-S17 PolarHBondContact O-N 3.35Å; V13-S17 PolarHBondContact O-OG 2.96Å; S17-R22 PolarHBondContact O-NH1 2.77Å; S17-R22 VanDerWaalsContact O-NH1 3.09Å
18T79.8Confident78.2Confident18 Ų1845.8 Ų45.811%0.1126%0.258CS..  trans-61.9165.3168640000110.9I20 G21 R22 I127 Y135 E208T18-I20 VanDerWaalsContact C-N 3.27Å; T18-I20 PolarHBondContact O-N 2.81Å; T18-G21 PolarHBondContact O-N 2.96Å; T18-G21 VanDerWaalsContact O-N 3.12Å; T18-G21 PolarHBondContact OG1-N 3.34Å; T18-G21 VanDerWaalsContact OG1-N 3.08Å; T18-R22 WeakPolarHBondContact O-CG 3.24Å; T18-R22 PolarHBondContact O-N 2.78Å; T18-I127 HydrophobicContact CG2-CD1 4.07Å; T18-Y135 HydrophobicContact CG2-CE1 4.11Å; T18-Y135 WeakPolarHBondContact CG2-OH 3.38Å; T18-Y135 PolarHBondContact OG1-OH 3.46Å; T18-Y135 VanDerWaalsContact OG1-OH 3.07Å; T18-E208 WeakPolarHBondContact CB-OE1 3.49Å; T18-E208 WeakPolarHBondContact CG2-OE1 3.32Å; T18-E208 PolarHBondContact OG1-OE1 3.47Å; T18-E208 PolarHBondContact OG1-OE2 2.87Å
19A83.1Confident78.2Confident60 Ų6045.3 Ų45.350%0.49625%0.249SC..Hα-helixtrans-56.2-42.4178.800000112.6R22 V23A19-R22 PolarHBondContact O-N 2.92Å; A19-V23 PolarHBondContact O-N 3.32Å
20I84.1Confident78.5Confident49 Ų4944.9 Ų44.925%0.25125%0.246SC..Hα-helixtrans-68.1-41.4176.6-59.3167.3000110.3T18 R22 V23 W24 L204 E208T18-I20 VanDerWaalsContact C-N 3.27Å; T18-I20 PolarHBondContact O-N 2.81Å; I20-R22 VanDerWaalsContact C-N 3.26Å; I20-R22 PolarHBondContact O-N 3.48Å; I20-V23 PolarHBondContact O-N 2.78Å; I20-V23 VanDerWaalsContact O-N 3.13Å; I20-W24 PolarHBondContact O-N 3.33Å; I20-L204 HydrophobicContact CG2-CD2 4.4Å; I20-E208 VanDerWaalsContact CB-OE2 3.23Å; I20-E208 WeakPolarHBondContact CB-OE2 3.16Å; I20-E208 WeakPolarHBondContact CD1-OE2 3.05Å; I20-E208 HydrophobicContact CG2-CB 4.17Å
21G82.2Confident79.1Confident2 Ų249.2 Ų49.22%0.02126%0.264CS..Hα-helixtrans-58.5-36174.100000113.2T18 W24 L25T18-G21 PolarHBondContact O-N 2.96Å; T18-G21 VanDerWaalsContact O-N 3.12Å; T18-G21 PolarHBondContact OG1-N 3.34Å; T18-G21 VanDerWaalsContact OG1-N 3.08Å; G21-W24 PolarHBondContact O-N 2.88Å; G21-L25 WeakPolarHBondContact O-CG 3.01Å; G21-L25 PolarHBondContact O-N 3.38Å
22R85.1Confident80.1Confident98 Ų9846.4 Ų46.437%0.3724%0.244SC..Hα-helixtrans-66.5-41.3174.1-63.1-162.9-66.5-82.91112.5N14 S17 T18 A19 I20 W24 L25 S26N14-R22 WeakPolarHBondContact O-CD 3.43Å; N14-R22 VanDerWaalsContact OD1-CB 3.28Å; N14-R22 WeakPolarHBondContact OD1-CB 3.29Å; N14-R22 WeakPolarHBondContact OD1-CD 3.49Å; N14-R22 WeakPolarHBondContact OD1-CG 3.26Å; S17-R22 PolarHBondContact O-NH1 2.77Å; S17-R22 VanDerWaalsContact O-NH1 3.09Å; T18-R22 WeakPolarHBondContact O-CG 3.24Å; T18-R22 PolarHBondContact O-N 2.78Å; A19-R22 PolarHBondContact O-N 2.92Å; I20-R22 VanDerWaalsContact C-N 3.26Å; I20-R22 PolarHBondContact O-N 3.48Å; R22-W24 VanDerWaalsContact C-N 3.33Å; R22-L25 PolarHBondContact O-N 3.42Å; R22-S26 PolarHBondContact O-N 3.13Å
23V87.8Confident81Confident73 Ų7346 Ų4644%0.44223%0.234SC..Hα-helixtrans-63.6-41.7174.2176.70000110.6A19 I20 L25 S26 V27 L204A19-V23 PolarHBondContact O-N 3.32Å; I20-V23 PolarHBondContact O-N 2.78Å; I20-V23 VanDerWaalsContact O-N 3.13Å; V23-L25 VanDerWaalsContact C-N 3.35Å; V23-L25 PolarHBondContact O-N 3.04Å; V23-S26 PolarHBondContact O-N 3.2Å; V23-S26 PolarHBondContact O-OG 3.15Å; V23-V27 WeakPolarHBondContact O-CG2 3.38Å; V23-V27 PolarHBondContact O-N 3.35Å; V23-L204 HydrophobicContact CG1-CD1 4.15Å; V23-L204 HydrophobicContact CG1-CD2 4.34Å
24W89.3Confident81.7Confident3 Ų351.4 Ų51.41%0.01126%0.261CS..Hα-helixtrans-62.4-42175.1177.994.4000112.3I20 G21 R22 S26 V27 I28 V84 A88 R142 L204I20-W24 PolarHBondContact O-N 3.33Å; G21-W24 PolarHBondContact O-N 2.88Å; R22-W24 VanDerWaalsContact C-N 3.33Å; W24-S26 VanDerWaalsContact C-N 3.34Å; W24-S26 PolarHBondContact O-N 3.1Å; W24-V27 PolarHBondContact O-N 2.91Å; W24-I28 HydrophobicContact CD2-CD1 3.89Å; W24-I28 HydrophobicContact CD2-CG1 4.11Å; W24-I28 HydrophobicContact CE3-CD1 4.08Å; W24-I28 HydrophobicContact CE3-CG1 4.39Å; W24-I28 HydrophobicContact CH2-CD1 3.33Å; W24-I28 HydrophobicContact CH2-CG1 4.43Å; W24-I28 HydrophobicContact CZ2-CD1 3.09Å; W24-I28 HydrophobicContact CZ2-CG1 4.16Å; W24-I28 HydrophobicContact CZ3-CD1 3.8Å; W24-I28 PolarHBondContact O-N 3.4Å; W24-V84 HydrophobicContact CH2-CG1 3.97Å; W24-V84 HydrophobicContact CZ2-CG1 3.37Å; W24-A88 HydrophobicContact CH2-CB 4.28Å; W24-A88 HydrophobicContact CZ3-CB 4.13Å; W24-R142 VanDerWaalsContact CE3-CZ 3.41Å; W24-R142 VanDerWaalsContact CE3-NH1 3.3Å; W24-R142 VanDerWaalsContact CE3-NH2 3.26Å; W24-R142 HydrophobicContact CH2-CG 4.41Å; W24-R142 HydrophobicContact CZ2-CG 4.23Å; W24-R142 VanDerWaalsContact CZ3-CZ 3.41Å; W24-L204 HydrophobicContact CB-CD1 4.29Å
25L84.9Confident82.2Confident13 Ų1349.6 Ų49.67%0.06825%0.252CS..Hα-helixtrans-62.7-41177.4-76.2169.3000111.7L10 V13 N14 G21 R22 V23 V27 I28 F29L10-L25 HydrophobicContact CD2-CD2 4.35Å; V13-L25 HydrophobicContact CB-CD1 3.99Å; V13-L25 HydrophobicContact CB-CD2 4.39Å; V13-L25 HydrophobicContact CG1-CD1 3.76Å; V13-L25 HydrophobicContact CG1-CD2 4.06Å; N14-L25 HydrophobicContact CB-CD1 4.26Å; G21-L25 WeakPolarHBondContact O-CG 3.01Å; G21-L25 PolarHBondContact O-N 3.38Å; R22-L25 PolarHBondContact O-N 3.42Å; V23-L25 VanDerWaalsContact C-N 3.35Å; V23-L25 PolarHBondContact O-N 3.04Å; L25-V27 VanDerWaalsContact C-N 3.34Å; L25-I28 PolarHBondContact O-N 3.22Å; L25-F29 WeakPolarHBondContact O-CB 3.37Å; L25-F29 PolarHBondContact O-N 3.07Å
26S84Confident83.3Confident52 Ų5244.6 Ų44.636%0.36424%0.235SC..Hα-helixtrans-65.3-39.1176.364.60000111.6R22 V23 W24 F29 I30R22-S26 PolarHBondContact O-N 3.13Å; V23-S26 PolarHBondContact O-N 3.2Å; V23-S26 PolarHBondContact O-OG 3.15Å; W24-S26 VanDerWaalsContact C-N 3.34Å; W24-S26 PolarHBondContact O-N 3.1Å; S26-F29 PolarHBondContact O-N 2.92Å; S26-I30 VanDerWaalsContact O-CB 3.3Å; S26-I30 WeakPolarHBondContact O-CB 3.26Å; S26-I30 VanDerWaalsContact O-CG1 3.31Å; S26-I30 WeakPolarHBondContact O-CG1 3.46Å; S26-I30 PolarHBondContact O-N 3.25Å
27V83.9Confident84.3Confident18 Ų1844.4 Ų44.411%0.10924%0.237CC..Hα-helixtrans-62.4-46.8176172.50000111.5V23 W24 L25 F31 L204V23-V27 WeakPolarHBondContact O-CG2 3.38Å; V23-V27 PolarHBondContact O-N 3.35Å; W24-V27 PolarHBondContact O-N 2.91Å; L25-V27 VanDerWaalsContact C-N 3.34Å; V27-F31 HydrophobicContact CG1-CD2 4.37Å; V27-F31 WeakPolarHBondContact O-CB 3.35Å; V27-F31 PolarHBondContact O-N 3Å; V27-L204 HydrophobicContact CG2-CD1 4.31Å
28I84.5Confident85Confident4 Ų446.8 Ų46.82%0.02125%0.25CS..Iπ-helixtrans-62.7-46.1177.6-72.2-157000111.8W24 L25 R32 I33 L81 V84W24-I28 HydrophobicContact CD2-CD1 3.89Å; W24-I28 HydrophobicContact CD2-CG1 4.11Å; W24-I28 HydrophobicContact CE3-CD1 4.08Å; W24-I28 HydrophobicContact CE3-CG1 4.39Å; W24-I28 HydrophobicContact CH2-CD1 3.33Å; W24-I28 HydrophobicContact CH2-CG1 4.43Å; W24-I28 HydrophobicContact CZ2-CD1 3.09Å; W24-I28 HydrophobicContact CZ2-CG1 4.16Å; W24-I28 HydrophobicContact CZ3-CD1 3.8Å; W24-I28 PolarHBondContact O-N 3.4Å; L25-I28 PolarHBondContact O-N 3.22Å; I28-R32 WeakPolarHBondContact O-CB 3.22Å; I28-R32 PolarHBondContact O-N 3.14Å; I28-I33 PolarHBondContact O-N 2.7Å; I28-I33 VanDerWaalsContact O-N 3.15Å; I28-L81 HydrophobicContact CG2-CD1 3.54Å; I28-V84 HydrophobicContact CD1-CG1 3.79Å
29F75.5Confident85.5Confident72 Ų7245.9 Ų45.932%0.31625%0.245SC..Iπ-helixtrans-68.7-46.8-175.9-175.1-111.6000112.6L6 Y7 L10 L25 S26 I33L6-F29 HydrophobicContact CD2-CE2 4.33Å; L6-F29 HydrophobicContact CG-CE2 4.5Å; Y7-F29 HydrophobicContact CD2-CZ 4.44Å; L10-F29 HydrophobicContact CD1-CB 4.29Å; L10-F29 HydrophobicContact CD1-CD2 3.06Å; L10-F29 HydrophobicContact CD1-CE2 3.47Å; L10-F29 VanDerWaalsContact CD1-CE2 3.47Å; L10-F29 HydrophobicContact CD1-CG 3.88Å; L25-F29 WeakPolarHBondContact O-CB 3.37Å; L25-F29 PolarHBondContact O-N 3.07Å; S26-F29 PolarHBondContact O-N 2.92Å; F29-I33 HydrophobicContact CD2-CD1 3.9Å
30I78.4Confident85.8Confident93 Ų9344.7 Ų44.748%0.47724%0.235SC..Iπ-helixtrans-79.5-50.9-173.3-62.1171.7000110.3S26 M34S26-I30 VanDerWaalsContact O-CB 3.3Å; S26-I30 WeakPolarHBondContact O-CB 3.26Å; S26-I30 VanDerWaalsContact O-CG1 3.31Å; S26-I30 WeakPolarHBondContact O-CG1 3.46Å; S26-I30 PolarHBondContact O-N 3.25Å; I30-M34 WeakPolarHBondContact O-CB 3.45Å
31F82.4Confident86Confident121 Ų12150 Ų5053%0.53126%0.259SS..Iπ-helixtrans-86.2-50.3-171.3-67-75.1000111.4V27 V35V27-F31 HydrophobicContact CG1-CD2 4.37Å; V27-F31 WeakPolarHBondContact O-CB 3.35Å; V27-F31 PolarHBondContact O-N 3Å; F31-V35 WeakPolarHBondContact O-CB 3.24Å; F31-V35 WeakPolarHBondContact O-CG2 3.33Å; F31-V35 PolarHBondContact O-N 3.01Å
32R89.4Confident86.3Confident4 Ų452.3 Ų52.32%0.01528%0.275CS..Iπ-helixtrans-75.9-48.6-171.6-70.7-175.1163.7-179.5-8113.9I28 L36 L81 E146 M194 A197 S198I28-R32 WeakPolarHBondContact O-CB 3.22Å; I28-R32 PolarHBondContact O-N 3.14Å; R32-L36 WeakPolarHBondContact O-CB 3.47Å; R32-L36 PolarHBondContact O-N 3.17Å; R32-L81 HydrophobicContact CB-CD1 4.27Å; R32-E146 IonicContact CZ-OE1 2.72Å; R32-E146 VanDerWaalsContact CZ-OE1 3.26Å; R32-E146 IonicContact CZ-OE2 3.26Å; R32-E146 IonicContact NH1-OE1 3.87Å; R32-E146 PolarHBondContact NH1-OE1 3.15Å; R32-E146 IonicContact NH1-OE2 2.65Å; R32-E146 PolarHBondContact NH1-OE2 2.88Å; R32-E146 VanDerWaalsContact NH2-CD 3.3Å; R32-E146 IonicContact NH2-OE1 3.35Å; R32-E146 PolarHBondContact NH2-OE1 2.65Å; R32-E146 VanDerWaalsContact NH2-OE1 3.15Å; R32-E146 IonicContact NH2-OE2 3.15Å; R32-E146 PolarHBondContact NH2-OE2 3.5Å; R32-M194 HydrophobicContact CB-CE 4.48Å; R32-M194 HydrophobicContact CG-CE 4.33Å; R32-M194 HydrophobicContact CG-SD 4.45Å; R32-A197 HydrophobicContact CG-CB 4.39Å; R32-S198 PolarHBondContact NH2-OG 3.01Å
33I88.4Confident86.6Confident20 Ų2047.7 Ų47.710%0.10326%0.257CS..Iπ-helixtrans-64.8-46.6-178.9-72162.9000110.4W3 L6 I28 F29 L36 V37 L81W3-I33 HydrophobicContact CH2-CG2 3.74Å; W3-I33 HydrophobicContact CZ3-CG2 3.66Å; L6-I33 HydrophobicContact CD2-CD1 4.1Å; I28-I33 PolarHBondContact O-N 2.7Å; I28-I33 VanDerWaalsContact O-N 3.15Å; F29-I33 HydrophobicContact CD2-CD1 3.9Å; I33-L36 PolarHBondContact O-N 3.05Å; I33-V37 HydrophobicContact CG2-CG2 4.45Å; I33-V37 VanDerWaalsContact O-CG2 3.3Å; I33-V37 WeakPolarHBondContact O-CG2 3.38Å; I33-V37 PolarHBondContact O-N 3.43Å; I33-L81 HydrophobicContact CD1-CD2 4.49Å; I33-L81 HydrophobicContact CG1-CD1 4.19Å; I33-L81 HydrophobicContact CG1-CD2 3.58Å; I33-L81 HydrophobicContact CG1-CG 4.47Å
34M85.6Confident86.9Confident121 Ų12144.5 Ų44.560%0.59624%0.237SC*.Hα-helixtrans-59.4-51.3178.4-172.467.875.400111.5I30 L36 V37 V38I30-M34 WeakPolarHBondContact O-CB 3.45Å; M34-L36 VanDerWaalsContact C-N 3.31Å; M34-L36 PolarHBondContact O-N 3.29Å; M34-V37 PolarHBondContact O-N 3.28Å; M34-V38 WeakPolarHBondContact O-CG2 3.21Å; M34-V38 PolarHBondContact O-N 2.96Å
35V87.1Confident87Confident30 Ų3047.1 Ų47.118%0.18227%0.265CS..Hα-helixtrans-62.4-41.1-179171.70000111F31 V38 A39 F190 M194F31-V35 WeakPolarHBondContact O-CB 3.24Å; F31-V35 WeakPolarHBondContact O-CG2 3.33Å; F31-V35 PolarHBondContact O-N 3.01Å; V35-V38 PolarHBondContact O-N 3.22Å; V35-A39 WeakPolarHBondContact O-CB 3.48Å; V35-A39 PolarHBondContact O-N 3.35Å; V35-F190 HydrophobicContact CG1-CD1 3.71Å; V35-F190 HydrophobicContact CG1-CE1 4.16Å; V35-M194 HydrophobicContact CB-SD 3.98Å; V35-M194 HydrophobicContact CG1-CG 3.88Å; V35-M194 HydrophobicContact CG1-SD 3.66Å
36L91.2Very high87.3Confident22 Ų2248.3 Ų48.312%0.11527%0.272CS..Hα-helixtrans-62.9-44.1178.8-171.5155.8000111.9R32 I33 M34 A40 W77 L81R32-L36 WeakPolarHBondContact O-CB 3.47Å; R32-L36 PolarHBondContact O-N 3.17Å; I33-L36 PolarHBondContact O-N 3.05Å; M34-L36 VanDerWaalsContact C-N 3.31Å; M34-L36 PolarHBondContact O-N 3.29Å; L36-A40 WeakPolarHBondContact O-CB 3.36Å; L36-A40 PolarHBondContact O-N 3Å; L36-W77 HydrophobicContact CD1-CB 4.09Å; L36-L81 HydrophobicContact CD1-CD2 4.18Å
37V89.3Confident87.7Confident44 Ų4446.8 Ų46.827%0.26726%0.259SS..Hα-helixtrans-61.9-49.5177.7171.40000110.9W3 I33 M34 E41W3-V37 HydrophobicContact CH2-CG2 3.76Å; W3-V37 HydrophobicContact CZ2-CG2 4.01Å; I33-V37 HydrophobicContact CG2-CG2 4.45Å; I33-V37 VanDerWaalsContact O-CG2 3.3Å; I33-V37 WeakPolarHBondContact O-CG2 3.38Å; I33-V37 PolarHBondContact O-N 3.43Å; M34-V37 PolarHBondContact O-N 3.28Å; V37-E41 PolarHBondContact O-N 3.18Å
38V89.7Confident88Confident65 Ų6552 Ų5239%0.39428%0.28SS..Hα-helixtrans-61.8-51179.3174.40000110.5M34 V35 A40 E41 S42 F190M34-V38 WeakPolarHBondContact O-CG2 3.21Å; M34-V38 PolarHBondContact O-N 2.96Å; V35-V38 PolarHBondContact O-N 3.22Å; V38-A40 PolarHBondContact O-N 3.21Å; V38-E41 PolarHBondContact O-N 3.35Å; V38-S42 WeakPolarHBondContact O-CB 3.33Å; V38-S42 PolarHBondContact O-N 2.65Å; V38-S42 PolarHBondContact O-OG 2.89Å; V38-F190 HydrophobicContact CG1-CE1 4.29Å; V38-F190 HydrophobicContact CG1-CZ 4.09Å
39A89.8Confident88.4Confident0 Ų056.3 Ų56.30%031%0.311CS..Hα-helixtrans-60.9-43.6-17800000112.7V35 E41 V43 W44 V74 F190V35-A39 WeakPolarHBondContact O-CB 3.48Å; V35-A39 PolarHBondContact O-N 3.35Å; A39-E41 VanDerWaalsContact C-N 3.32Å; A39-E41 PolarHBondContact O-N 3.5Å; A39-V43 PolarHBondContact O-N 2.83Å; A39-V43 VanDerWaalsContact O-N 3.11Å; A39-W44 HydrophobicContact CB-CE3 3.77Å; A39-W44 HydrophobicContact CB-CZ3 3.68Å; A39-W44 PolarHBondContact O-N 2.81Å; A39-V74 HydrophobicContact CB-CG1 4.32Å; A39-F190 HydrophobicContact CB-CD1 3.96Å; A39-F190 HydrophobicContact CB-CE1 4.29Å; A39-F190 HydrophobicContact CB-CG 4.3Å
40A88.4Confident89.3Confident35 Ų3555 Ų5529%0.28931%0.311SS..Hα-helixtrans-60.1-41.5-178.200000112.2L36 V38 G45 V74L36-A40 WeakPolarHBondContact O-CB 3.36Å; L36-A40 PolarHBondContact O-N 3Å; V38-A40 PolarHBondContact O-N 3.21Å; A40-G45 PolarHBondContact O-N 2.88Å; A40-V74 HydrophobicContact CB-CB 4.45Å; A40-V74 HydrophobicContact CB-CG1 4.42Å
41E88.2Confident90.1Very high159 Ų15951 Ų5174%0.74329%0.29SS*.Hα-helixtrans-84.9-47.1-178.2-66-177.7176.600112.3V37 V38 A39V37-E41 PolarHBondContact O-N 3.18Å; V38-E41 PolarHBondContact O-N 3.35Å; A39-E41 VanDerWaalsContact C-N 3.32Å; A39-E41 PolarHBondContact O-N 3.5Å
42S89.8Confident90.7Very high52 Ų5250.1 Ų50.136%0.36429%0.289SS..Hα-helixtrans-88.5-27-168.373.40000114.8V38V38-S42 WeakPolarHBondContact O-CB 3.33Å; V38-S42 PolarHBondContact O-N 2.65Å; V38-S42 PolarHBondContact O-OG 2.89Å
43V91.7Very high91Very high0 Ų050.2 Ų50.20%029%0.291CS..THydrogen-bonded Turntrans-117.9-37.4-167.7-172.10000113.1A39 E186 K187 F190A39-V43 PolarHBondContact O-N 2.83Å; A39-V43 VanDerWaalsContact O-N 3.11Å; V43-E186 HydrophobicContact CG1-CB 4.22Å; V43-E186 HydrophobicContact CG1-CG 3.86Å; V43-E186 HydrophobicContact CG2-CG 3.84Å; V43-E186 WeakPolarHBondContact CG2-OE1 3.47Å; V43-K187 HydrophobicContact CG1-CB 4.4Å; V43-K187 HydrophobicContact CG1-CG 3.48Å; V43-K187 VanDerWaalsContact CG1-CG 3.48Å; V43-K187 VanDerWaalsContact O-CE 3.27Å; V43-K187 WeakPolarHBondContact O-CE 3.5Å; V43-F190 HydrophobicContact CB-CD2 4.44Å; V43-F190 HydrophobicContact CG1-CD2 4.32Å; V43-F190 HydrophobicContact CG2-CD2 3.7Å; V43-F190 HydrophobicContact CG2-CE2 3.42Å; V43-F190 VanDerWaalsContact CG2-CE2 3.42Å; V43-F190 HydrophobicContact CG2-CZ 4.14Å
44W93.1Very high91.4Very high6 Ų655.1 Ų55.12%0.02332%0.317CS..SBendtrans-102.6-6.1177.6-79.8-95.2000113.2A39 D46 E47 H73 V74 W77 K187 F190A39-W44 HydrophobicContact CB-CE3 3.77Å; A39-W44 HydrophobicContact CB-CZ3 3.68Å; A39-W44 PolarHBondContact O-N 2.81Å; W44-D46 VanDerWaalsContact C-N 3.29Å; W44-D46 PolarHBondContact O-N 3.11Å; W44-E47 VanDerWaalsContact CD1-OE2 3.25Å; W44-E47 WeakPolarHBondContact O-CB 3.48Å; W44-E47 WeakPolarHBondContact O-CG 3.33Å; W44-E47 PolarHBondContact O-N 3.5Å; W44-H73 HydrophobicContact CZ2-CB 3.85Å; W44-V74 HydrophobicContact CB-CB 4.47Å; W44-V74 HydrophobicContact CB-CG1 3.77Å; W44-V74 HydrophobicContact CB-CG2 3.83Å; W44-V74 HydrophobicContact CD2-CG1 3.55Å; W44-V74 HydrophobicContact CE3-CG1 3.61Å; W44-V74 HydrophobicContact CG-CB 4.49Å; W44-V74 HydrophobicContact CG-CG1 3.61Å; W44-V74 HydrophobicContact CG-CG2 4.09Å; W44-V74 HydrophobicContact CZ3-CG1 4.44Å; W44-W77 AromaticContact CH2-CH2 3.53Å; W44-W77 HydrophobicContact CH2-CH2 3.53Å; W44-W77 AromaticContact CH2-CZ3 3.73Å; W44-W77 HydrophobicContact CH2-CZ3 3.73Å; W44-W77 AromaticContact CZ2-CH2 3.87Å; W44-W77 HydrophobicContact CZ2-CH2 3.87Å; W44-W77 HydrophobicContact CZ2-CZ3 4.18Å; W44-W77 HydrophobicContact CZ3-CH2 4.2Å; W44-W77 AromaticContact CZ3-CZ3 3.93Å; W44-W77 HydrophobicContact CZ3-CZ3 3.93Å; W44-K187 HydrophobicContact CD2-CG 4.27Å; W44-K187 HydrophobicContact CH2-CB 3.93Å; W44-K187 HydrophobicContact CH2-CG 3.99Å; W44-K187 WeakPolarHBondContact CH2-O 3.5Å; W44-K187 HydrophobicContact CZ2-CB 3.71Å; W44-K187 HydrophobicContact CZ2-CD 4.29Å; W44-K187 HydrophobicContact CZ2-CG 3.68Å; W44-K187 HydrophobicContact CZ3-CG 4.41Å; W44-F190 HydrophobicContact CH2-CB 3.63Å; W44-F190 HydrophobicContact CZ3-CB 3.62Å; W44-F190 HydrophobicContact CZ3-CD2 4.38Å; W44-F190 HydrophobicContact CZ3-CG 4.09Å
45G90.6Very high91.8Very high58 Ų5850.9 Ų50.960%0.59830%0.298SS*.THydrogen-bonded Turntrans-62.4-32.2-179.200000114.3A40A40-G45 PolarHBondContact O-N 2.88Å
46D91.4Very high92.2Very high38 Ų3858 Ų5820%0.20333%0.334CS..THydrogen-bonded Turntrans-102.712.9179.167.16000113.2W44 K48 S49 S50 S182 R183W44-D46 VanDerWaalsContact C-N 3.29Å; W44-D46 PolarHBondContact O-N 3.11Å; D46-K48 VanDerWaalsContact C-N 3.28Å; D46-K48 PolarHBondContact O-N 2.73Å; D46-K48 VanDerWaalsContact O-N 3.15Å; D46-S49 WeakPolarHBondContact CA-OG 3.4Å; D46-S49 PolarHBondContact O-N 2.89Å; D46-S49 PolarHBondContact O-OG 3.02Å; D46-S49 VanDerWaalsContact O-OG 3.08Å; D46-S50 WeakPolarHBondContact O-CB 3.34Å; D46-S50 PolarHBondContact O-N 3.19Å; D46-S182 PolarHBondContact OD1-OG 3.34Å; D46-R183 IonicContact OD2-NE 3.36Å; D46-R183 PolarHBondContact OD2-NE 2.96Å; D46-R183 IonicContact OD2-NH2 3.49Å
47E92.2Very high92.3Very high21 Ų2160.8 Ų60.810%0.09835%0.347CS..THydrogen-bonded Turntrans-57.8-37.8-167.567.9177.8161.600113.7W44 F51 Y65 S72W44-E47 VanDerWaalsContact CD1-OE2 3.25Å; W44-E47 WeakPolarHBondContact O-CB 3.48Å; W44-E47 WeakPolarHBondContact O-CG 3.33Å; W44-E47 PolarHBondContact O-N 3.5Å; E47-F51 WeakPolarHBondContact O-CB 3.49Å; E47-Y65 HydrophobicContact CB-CE2 4.49Å; E47-Y65 HydrophobicContact CG-CE2 4.22Å; E47-Y65 WeakPolarHBondContact CG-OH 3.49Å; E47-Y65 PolarHBondContact OE1-OH 2.94Å; E47-Y65 PolarHBondContact OE2-OH 3Å; E47-Y65 VanDerWaalsContact OE2-OH 3.1Å; E47-S72 WeakPolarHBondContact OE1-CB 3.49Å; E47-S72 VanDerWaalsContact OE2-CB 3.29Å; E47-S72 WeakPolarHBondContact OE2-CB 3.42Å
48K91.9Very high92.6Very high127 Ų12763.6 Ų63.655%0.55237%0.366SS*.THydrogen-bonded Turntrans-87.1-38.8-179.6180168.2-179150.40112.1D46 S50 Y65D46-K48 VanDerWaalsContact C-N 3.28Å; D46-K48 PolarHBondContact O-N 2.73Å; D46-K48 VanDerWaalsContact O-N 3.15Å; K48-S50 VanDerWaalsContact C-N 3.34Å; K48-Y65 HydrophobicContact CB-CE1 4.47Å; K48-Y65 HydrophobicContact CB-CE2 4.21Å
49S93.1Very high92.8Very high94 Ų9462.4 Ų62.466%0.65737%0.367SS*.THydrogen-bonded Turntrans-70.5-31.3-178.749.50000112.7D46D46-S49 WeakPolarHBondContact CA-OG 3.4Å; D46-S49 PolarHBondContact O-N 2.89Å; D46-S49 PolarHBondContact O-OG 3.02Å; D46-S49 VanDerWaalsContact O-OG 3.08Å
50S93.4Very high93.1Very high46 Ų4662.4 Ų62.432%0.32237%0.367SS..THydrogen-bonded Turntrans-101.111.6-178.2-60.10000113.2D46 K48D46-S50 WeakPolarHBondContact O-CB 3.34Å; D46-S50 PolarHBondContact O-N 3.19Å; K48-S50 VanDerWaalsContact C-N 3.34Å
51F94.6Very high93.4Very high7 Ų763.7 Ų63.73%0.03137%0.369CS..  trans-88.5112.2169.7-176.6-96.9000109.6E47 C64 Y65 F69 V166 C179 V181E47-F51 WeakPolarHBondContact O-CB 3.49Å; F51-C64 HydrophobicContact CE1-CB 3.92Å; F51-C64 HydrophobicContact CZ-CB 4.24Å; F51-Y65 HydrophobicContact CB-CD2 4Å; F51-Y65 HydrophobicContact CD1-CD2 4.22Å; F51-Y65 HydrophobicContact CD2-CD2 4.33Å; F51-Y65 AromaticContact CG-CD2 3.94Å; F51-Y65 HydrophobicContact CG-CD2 3.94Å; F51-F69 HydrophobicContact CD2-CE2 4.31Å; F51-F69 HydrophobicContact CE2-CE2 4.04Å; F51-V166 HydrophobicContact CE2-CG2 4.05Å; F51-V166 HydrophobicContact CZ-CG2 3.99Å; F51-C179 HydrophobicContact CE1-CB 3.92Å; F51-C179 HydrophobicContact CE2-CB 4.01Å; F51-C179 HydrophobicContact CZ-CB 3.42Å; F51-C179 VanDerWaalsContact CZ-CB 3.42Å; F51-V181 HydrophobicContact CD2-CG2 4.44Å; F51-V181 HydrophobicContact CE2-CG2 4.17Å
52I95.4Very high93.8Very high103 Ų10359.1 Ų59.153%0.52835%0.354SS..EExtended strand (participates in β ladder)trans-121124.6-170.3-58172.6000109C179 F180I52-C179 CarbonylContact O-C 3.54Å; I52-C179 WeakPolarHBondContact O-CA 3.42Å; I52-F180 PolarHBondContact N-O 3.42Å; I52-F180 PolarHBondContact O-N 2.82Å
53C96.6Very high94.1Very high6 Ų658.8 Ų58.84%0.04135%0.35CS..EExtended strand (participates in β ladder)trans-101.2144.6167.3-50.20000111.4T55 N61 V177 D178 C179C53-T55 HydrophobicContact CB-CG2 3.99Å; C53-T55 PolarHBondContact O-N 3.5Å; C53-N61 WeakPolarHBondContact CB-OD1 3.48Å; C53-N61 PolarHBondContact N-OD1 3.25Å; C53-N61 VanDerWaalsContact N-OD1 3.17Å; C53-N61 PolarHBondContact SG-OD1 3.09Å; C53-N61 VanDerWaalsContact SG-OD1 3.4Å; C53-V177 HydrophobicContact CB-CG2 4.24Å; C53-D178 CarbonylContact C-O 3.57Å; C53-D178 WeakPolarHBondContact CA-O 3.24Å; C53-C179 HydrophobicContact CB-CB 3.97Å; C53-C179 WeakPolarHBondContact CB-SG 3.43Å; C53-C179 WeakPolarHBondContact SG-CB 3.17Å; C53-C179 CovalentContact SG-SG 2.04Å; C53-C179 PolarHBondContact SG-SG 3.36Å
54N95.8Very high94.3Very high124 Ų12458.8 Ų58.866%0.66335%0.35SS*.SBendtrans-76.173.7175.6-174.213.1000110.4D178N54-D178 PolarHBondContact N-O 2.92Å
55T95.1Very high94.4Very high31 Ų3159.5 Ų59.519%0.1935%0.353CS..  trans-157.6149.3-179.5-172.90000111.3C53 Q57 C60C53-T55 HydrophobicContact CB-CG2 3.99Å; C53-T55 PolarHBondContact O-N 3.5Å; T55-Q57 WeakPolarHBondContact OG1-CB 3.48Å; T55-Q57 PolarHBondContact OG1-N 3.49Å; T55-C60 HydrophobicContact CG2-CB 3.8Å
56L94.5Very high94.6Very high179 Ų17961.9 Ų61.994%0.93735%0.352SS*.  trans-95.30.2171.8-62.5175.9000112.2
57Q94.3Very high94.8Very high82 Ų8265.7 Ų65.738%0.38337%0.368SS..  trans-75.3122-176.4-176.664.326.700111.4T55 C60 P172 P174T55-Q57 WeakPolarHBondContact OG1-CB 3.48Å; T55-Q57 PolarHBondContact OG1-N 3.49Å; Q57-C60 HydrophobicContact CB-CB 4.29Å; Q57-C60 HydrophobicContact CG-CB 4.47Å; Q57-C60 PolarHBondContact O-N 3.32Å; Q57-P172 VanDerWaalsContact CG-O 3.26Å; Q57-P172 WeakPolarHBondContact CG-O 3.15Å; Q57-P174 HydrophobicContact CB-CG 4.3Å
58P95.2Very high94.8Very high102 Ų10268 Ų6866%0.66238%0.378SS*.THydrogen-bonded Turntrans-63.7138.9178.526.1-34.6000111.4C60P58-C60 VanDerWaalsContact C-N 3.28Å; P58-C60 PolarHBondContact O-N 2.96Å
59G94.5Very high94.9Very high40 Ų4062.8 Ų62.841%0.41236%0.356SS..THydrogen-bonded Turntrans85-18.4178.100000115.5N61 S62 V63G59-N61 PolarHBondContact O-N 2.68Å; G59-S62 PolarHBondContact O-N 3.18Å; G59-S62 VanDerWaalsContact O-N 3.14Å; G59-V63 PolarHBondContact O-N 3.39Å
60C96.1Very high94.9Very high0 Ų061.6 Ų61.60%035%0.345CS..Hα-helixtrans-59.1-45-178178.40000112.6T55 Q57 P58 S62 V63 C64 C173T55-C60 HydrophobicContact CG2-CB 3.8Å; Q57-C60 HydrophobicContact CB-CB 4.29Å; Q57-C60 HydrophobicContact CG-CB 4.47Å; Q57-C60 PolarHBondContact O-N 3.32Å; P58-C60 VanDerWaalsContact C-N 3.28Å; P58-C60 PolarHBondContact O-N 2.96Å; C60-S62 VanDerWaalsContact C-N 3.27Å; C60-S62 PolarHBondContact O-N 3.4Å; C60-V63 VanDerWaalsContact O-CG2 3.23Å; C60-V63 WeakPolarHBondContact O-CG2 3.01Å; C60-V63 PolarHBondContact O-N 3.36Å; C60-C64 WeakPolarHBondContact O-CB 3.42Å; C60-C64 PolarHBondContact O-N 3.19Å; C60-C64 PolarHBondContact O-SG 3.19Å; C60-C173 VanDerWaalsContact CA-SG 3.52Å; C60-C173 HydrophobicContact CB-CB 4.12Å; C60-C173 WeakPolarHBondContact CB-SG 3.4Å; C60-C173 WeakPolarHBondContact SG-CB 3.38Å; C60-C173 CovalentContact SG-SG 2.03Å; C60-C173 PolarHBondContact SG-SG 2.79Å
61N94.7Very high94.9Very high63 Ų6362.5 Ų62.534%0.33735%0.346SS..Hα-helixtrans-55.8-41.6176.4-68.6-5.9000112.7C53 G59 Y65C53-N61 WeakPolarHBondContact CB-OD1 3.48Å; C53-N61 PolarHBondContact N-OD1 3.25Å; C53-N61 VanDerWaalsContact N-OD1 3.17Å; C53-N61 PolarHBondContact SG-OD1 3.09Å; C53-N61 VanDerWaalsContact SG-OD1 3.4Å; G59-N61 PolarHBondContact O-N 2.68Å; N61-Y65 VanDerWaalsContact O-CB 3.28Å; N61-Y65 WeakPolarHBondContact O-CB 3.35Å; N61-Y65 PolarHBondContact O-N 2.93Å
62S95Very high94.9Very high62 Ų6262.2 Ų62.243%0.43435%0.345SS..Hα-helixtrans-68.4-43.2-177-67.40000112.4G59 C60 D66G59-S62 PolarHBondContact O-N 3.18Å; G59-S62 VanDerWaalsContact O-N 3.14Å; C60-S62 VanDerWaalsContact C-N 3.27Å; C60-S62 PolarHBondContact O-N 3.4Å; S62-D66 PolarHBondContact O-N 3.27Å
63V96.4Very high94.7Very high45 Ų4557.5 Ų57.527%0.27332%0.321SS..Hα-helixtrans-73.4-36.9179.9-60.40000111.8G59 C60 D66 Q67 V170G59-V63 PolarHBondContact O-N 3.39Å; C60-V63 VanDerWaalsContact O-CG2 3.23Å; C60-V63 WeakPolarHBondContact O-CG2 3.01Å; C60-V63 PolarHBondContact O-N 3.36Å; V63-D66 PolarHBondContact O-N 3.39Å; V63-Q67 WeakPolarHBondContact O-CB 3.46Å; V63-Q67 PolarHBondContact O-N 3.4Å; V63-V170 HydrophobicContact CB-CG1 4.26Å; V63-V170 HydrophobicContact CG2-CB 4.43Å; V63-V170 HydrophobicContact CG2-CG1 4.25Å
64C96.5Very high94.5Very high0 Ų057.9 Ų57.90%032%0.323CS..Hα-helixtrans-67.1-41176.6-66.80000111.4F51 C60 D66 Q67 F68 C168 C173F51-C64 HydrophobicContact CE1-CB 3.92Å; F51-C64 HydrophobicContact CZ-CB 4.24Å; C60-C64 WeakPolarHBondContact O-CB 3.42Å; C60-C64 PolarHBondContact O-N 3.19Å; C60-C64 PolarHBondContact O-SG 3.19Å; C64-D66 VanDerWaalsContact C-N 3.33Å; C64-D66 PolarHBondContact O-N 3.47Å; C64-Q67 PolarHBondContact O-N 3.07Å; C64-F68 VanDerWaalsContact O-CD2 3.27Å; C64-F68 WeakPolarHBondContact O-CD2 3.46Å; C64-F68 PolarHBondContact O-N 2.98Å; C64-F68 VanDerWaalsContact O-N 3.16Å; C64-C168 WeakPolarHBondContact CA-SG 3.28Å; C64-C168 HydrophobicContact CB-CB 3.74Å; C64-C168 WeakPolarHBondContact CB-SG 3.26Å; C64-C168 WeakPolarHBondContact SG-CB 3.2Å; C64-C168 CovalentContact SG-SG 2.03Å; C64-C168 PolarHBondContact SG-SG 2.99Å; C64-C173 PolarHBondContact SG-SG 3.25Å
65Y95.2Very high94.5Very high22 Ų2259.5 Ų59.59%0.08632%0.319CS..Hα-helixtrans-57.8-47.7174176-89.2000111.4E47 K48 F51 N61 Q67 F68 F69E47-Y65 HydrophobicContact CB-CE2 4.49Å; E47-Y65 HydrophobicContact CG-CE2 4.22Å; E47-Y65 WeakPolarHBondContact CG-OH 3.49Å; E47-Y65 PolarHBondContact OE1-OH 2.94Å; E47-Y65 PolarHBondContact OE2-OH 3Å; E47-Y65 VanDerWaalsContact OE2-OH 3.1Å; K48-Y65 HydrophobicContact CB-CE1 4.47Å; K48-Y65 HydrophobicContact CB-CE2 4.21Å; F51-Y65 HydrophobicContact CB-CD2 4Å; F51-Y65 HydrophobicContact CD1-CD2 4.22Å; F51-Y65 HydrophobicContact CD2-CD2 4.33Å; F51-Y65 AromaticContact CG-CD2 3.94Å; F51-Y65 HydrophobicContact CG-CD2 3.94Å; N61-Y65 VanDerWaalsContact O-CB 3.28Å; N61-Y65 WeakPolarHBondContact O-CB 3.35Å; N61-Y65 PolarHBondContact O-N 2.93Å; Y65-Q67 PolarHBondContact O-N 2.87Å; Y65-F68 PolarHBondContact O-N 3.09Å; Y65-F69 HydrophobicContact CD2-CD2 4.08Å; Y65-F69 HydrophobicContact CE1-CB 4.46Å; Y65-F69 HydrophobicContact CE2-CB 4.25Å; Y65-F69 HydrophobicContact CE2-CD2 4.07Å; Y65-F69 HydrophobicContact CE2-CG 4.44Å; Y65-F69 WeakPolarHBondContact O-CA 3.38Å; Y65-F69 WeakPolarHBondContact O-CB 3.39Å; Y65-F69 PolarHBondContact O-N 3.41Å
66D95.5Very high94.4Very high107 Ų10758.4 Ų58.457%0.57231%0.312SS*.Hα-helixtrans-62.7-41-179.2-166.468.7000112.3S62 V63 C64 F69 P70S62-D66 PolarHBondContact O-N 3.27Å; V63-D66 PolarHBondContact O-N 3.39Å; C64-D66 VanDerWaalsContact C-N 3.33Å; C64-D66 PolarHBondContact O-N 3.47Å; D66-F69 CarbonylContact O-C 3.59Å; D66-P70 WeakPolarHBondContact O-CA 3.5Å
67Q94.4Very high94.4Very high119 Ų11950 Ų5056%0.55627%0.268SS*.Hα-helixtrans-63.4-43.6178.6-179.170.4-21.300113.1V63 C64 Y65 V170V63-Q67 WeakPolarHBondContact O-CB 3.46Å; V63-Q67 PolarHBondContact O-N 3.4Å; C64-Q67 PolarHBondContact O-N 3.07Å; Y65-Q67 PolarHBondContact O-N 2.87Å; Q67-V170 HydrophobicContact CB-CG2 4.16Å; Q67-V170 HydrophobicContact CG-CG2 3.84Å
68F92.8Very high94.4Very high69 Ų6948 Ų4830%0.30326%0.263SS..Hα-helixtrans-86.9-26.1-177.5-74.3-73.5000113.3C64 Y65 P70 V166 K167 C168C64-F68 VanDerWaalsContact O-CD2 3.27Å; C64-F68 WeakPolarHBondContact O-CD2 3.46Å; C64-F68 PolarHBondContact O-N 2.98Å; C64-F68 VanDerWaalsContact O-N 3.16Å; Y65-F68 PolarHBondContact O-N 3.09Å; F68-P70 VanDerWaalsContact C-CD 3.47Å; F68-V166 HydrophobicContact CD1-CB 3.89Å; F68-V166 HydrophobicContact CD1-CG1 3.82Å; F68-V166 HydrophobicContact CD1-CG2 4.34Å; F68-V166 HydrophobicContact CD2-CB 3.9Å; F68-V166 HydrophobicContact CD2-CG1 4.49Å; F68-V166 HydrophobicContact CD2-CG2 3.53Å; F68-V166 HydrophobicContact CE1-CB 3.79Å; F68-V166 HydrophobicContact CE1-CG1 4.07Å; F68-V166 HydrophobicContact CE1-CG2 4.49Å; F68-V166 HydrophobicContact CE2-CB 3.81Å; F68-V166 HydrophobicContact CE2-CG2 3.73Å; F68-V166 HydrophobicContact CG-CB 3.97Å; F68-V166 HydrophobicContact CG-CG1 4.07Å; F68-V166 HydrophobicContact CG-CG2 3.89Å; F68-V166 HydrophobicContact CZ-CB 3.77Å; F68-V166 HydrophobicContact CZ-CG2 4.23Å; F68-K167 VanDerWaalsContact CZ-O 3.29Å; F68-K167 WeakPolarHBondContact CZ-O 3.34Å; F68-C168 HydrophobicContact CE2-CB 3.89Å
69F93.4Very high94.3Very high18 Ų1847.2 Ų47.28%0.07925%0.253CS..  trans-129.563.4-178.6-57.1-72.8000111.7F51 Y65 D66 I71 Y157 M162 V181F51-F69 HydrophobicContact CD2-CE2 4.31Å; F51-F69 HydrophobicContact CE2-CE2 4.04Å; Y65-F69 HydrophobicContact CD2-CD2 4.08Å; Y65-F69 HydrophobicContact CE1-CB 4.46Å; Y65-F69 HydrophobicContact CE2-CB 4.25Å; Y65-F69 HydrophobicContact CE2-CD2 4.07Å; Y65-F69 HydrophobicContact CE2-CG 4.44Å; Y65-F69 WeakPolarHBondContact O-CA 3.38Å; Y65-F69 WeakPolarHBondContact O-CB 3.39Å; Y65-F69 PolarHBondContact O-N 3.41Å; D66-F69 CarbonylContact O-C 3.59Å; F69-I71 PolarHBondContact O-N 3.16Å; F69-Y157 HydrophobicContact CD1-CE1 4.14Å; F69-M162 HydrophobicContact CD1-CE 4.36Å; F69-M162 HydrophobicContact CE1-CE 3.67Å; F69-M162 HydrophobicContact CE1-SD 3.79Å; F69-M162 HydrophobicContact CZ-SD 4.38Å; F69-V181 HydrophobicContact CE2-CG1 4.3Å; F69-V181 HydrophobicContact CE2-CG2 3.95Å; F69-V181 HydrophobicContact CZ-CG1 3.83Å; F69-V181 HydrophobicContact CZ-CG2 3.79Å
70P93.2Very high94.3Very high68 Ų6846 Ų4644%0.44224%0.236SC..SBendtrans-60.1-34.1-177.423.9-34.8000112.2D66 F68 L156D66-P70 WeakPolarHBondContact O-CA 3.5Å; F68-P70 VanDerWaalsContact C-CD 3.47Å; P70-L156 HydrophobicContact CG-CD2 4.32Å
71I94Very high94.2Very high65 Ų6547.2 Ų47.233%0.33324%0.243SC..SBendtrans-135.3109.8172.8-58.1176.3000108.7F69 H73 R75 L76 Y157F69-I71 PolarHBondContact O-N 3.16Å; I71-H73 PolarHBondContact O-N 3.39Å; I71-R75 HydrophobicContact CG2-CB 4Å; I71-L76 HydrophobicContact CG2-CB 4.26Å; I71-Y157 PolarHBondContact O-OH 3.06Å
72S93.2Very high94.1Very high2 Ų249.1 Ų49.11%0.01425%0.252CS..  trans-47.2143.9175.168.50000112.2E47 V74 R75 L76E47-S72 WeakPolarHBondContact OE1-CB 3.49Å; E47-S72 VanDerWaalsContact OE2-CB 3.29Å; E47-S72 WeakPolarHBondContact OE2-CB 3.42Å; S72-V74 VanDerWaalsContact C-N 3.27Å; S72-V74 PolarHBondContact O-N 2.91Å; S72-R75 WeakPolarHBondContact O-CB 3.47Å; S72-R75 PolarHBondContact O-N 2.96Å; S72-R75 VanDerWaalsContact OG-CB 3.32Å; S72-R75 WeakPolarHBondContact OG-CB 3.33Å; S72-R75 WeakPolarHBondContact OG-CD 3.47Å; S72-R75 WeakPolarHBondContact OG-CG 3.26Å; S72-R75 PolarHBondContact OG-N 3.5Å; S72-R75 PolarHBondContact OG-NE 3.39Å; S72-L76 PolarHBondContact O-N 3.01Å
73H92.6Very high94.1Very high3 Ų349.3 Ų49.31%0.01425%0.248CC..Hα-helixtrans-55.7-43.1-177.4-69.137.4000112.6W44 I71 R75 L76 W77 F153 Y157 M162 T191W44-H73 HydrophobicContact CZ2-CB 3.85Å; I71-H73 PolarHBondContact O-N 3.39Å; H73-R75 VanDerWaalsContact C-N 3.29Å; H73-R75 PolarHBondContact O-N 3.49Å; H73-L76 PolarHBondContact O-N 3.45Å; H73-L76 VanDerWaalsContact O-N 3.11Å; H73-W77 HydrophobicContact CB-CD2 4.45Å; H73-W77 HydrophobicContact CB-CE3 4.49Å; H73-W77 HydrophobicContact CB-CH2 3.97Å; H73-W77 HydrophobicContact CB-CZ2 3.9Å; H73-W77 HydrophobicContact CB-CZ3 4.27Å; H73-W77 VanDerWaalsContact O-CG 3.29Å; H73-W77 PolarHBondContact O-N 3.4Å; H73-F153 AromaticContact CD2-CE2 3.51Å; H73-F153 AromaticContact CD2-CZ 3.46Å; H73-F153 VanDerWaalsContact CD2-CZ 3.46Å; H73-F153 WeakPolarHBondContact CD2-CZ 3.34Å; H73-F153 AromaticContact NE2-CE2 3.93Å; H73-F153 AromaticContact NE2-CZ 3.57Å; H73-Y157 AromaticContact CE1-CD1 3.45Å; H73-Y157 VanDerWaalsContact CE1-CD1 3.45Å; H73-Y157 WeakPolarHBondContact CE1-CD1 3.38Å; H73-Y157 AromaticContact CE1-CD2 3.46Å; H73-Y157 VanDerWaalsContact CE1-CD2 3.46Å; H73-Y157 WeakPolarHBondContact CE1-CD2 3.43Å; H73-Y157 AromaticContact CE1-CE1 3.41Å; H73-Y157 VanDerWaalsContact CE1-CE1 3.41Å; H73-Y157 WeakPolarHBondContact CE1-CE1 3.4Å; H73-Y157 AromaticContact CE1-CE2 3.4Å; H73-Y157 VanDerWaalsContact CE1-CE2 3.4Å; H73-Y157 WeakPolarHBondContact CE1-CE2 3.34Å; H73-Y157 AromaticContact CE1-CG 3.48Å; H73-Y157 VanDerWaalsContact CE1-CG 3.48Å; H73-Y157 AromaticContact CE1-CZ 3.38Å; H73-Y157 AromaticContact ND1-CE1 3.99Å; H73-Y157 AromaticContact ND1-CE2 3.54Å; H73-Y157 AromaticContact ND1-CZ 3.54Å; H73-Y157 AromaticContact NE2-CD2 3.81Å; H73-Y157 AromaticContact NE2-CG 3.79Å; H73-M162 WeakPolarHBondContact CE1-CE 3.16Å; H73-M162 VanDerWaalsContact NE2-CE 3.27Å; H73-M162 WeakPolarHBondContact NE2-CE 3.27Å; H73-T191 PolarHBondContact CD2-OG1 3.26Å; H73-T191 VanDerWaalsContact CD2-OG1 3.31Å
74V93Very high93.9Very high14 Ų1447.2 Ų47.29%0.08524%0.235CC..Hα-helixtrans-61.7-34.9179.9-67.20000112.8A39 A40 W44 S72 W77 S78A39-V74 HydrophobicContact CB-CG1 4.32Å; A40-V74 HydrophobicContact CB-CB 4.45Å; A40-V74 HydrophobicContact CB-CG1 4.42Å; W44-V74 HydrophobicContact CB-CB 4.47Å; W44-V74 HydrophobicContact CB-CG1 3.77Å; W44-V74 HydrophobicContact CB-CG2 3.83Å; W44-V74 HydrophobicContact CD2-CG1 3.55Å; W44-V74 HydrophobicContact CE3-CG1 3.61Å; W44-V74 HydrophobicContact CG-CB 4.49Å; W44-V74 HydrophobicContact CG-CG1 3.61Å; W44-V74 HydrophobicContact CG-CG2 4.09Å; W44-V74 HydrophobicContact CZ3-CG1 4.44Å; S72-V74 VanDerWaalsContact C-N 3.27Å; S72-V74 PolarHBondContact O-N 2.91Å; V74-W77 HydrophobicContact CG1-CE3 4.16Å; V74-W77 HydrophobicContact CG1-CZ3 4.2Å; V74-S78 WeakPolarHBondContact O-CB 3.33Å; V74-S78 PolarHBondContact O-N 3.28Å; V74-S78 PolarHBondContact O-OG 2.98Å
75R94Very high93.6Very high158 Ų15848.5 Ų48.560%0.59624%0.244SC*.Hα-helixtrans-68.4-43.4173.3-71.5172.4-163.8-178.73111.2I71 S72 H73 W77 S78 L79I71-R75 HydrophobicContact CG2-CB 4Å; S72-R75 WeakPolarHBondContact O-CB 3.47Å; S72-R75 PolarHBondContact O-N 2.96Å; S72-R75 VanDerWaalsContact OG-CB 3.32Å; S72-R75 WeakPolarHBondContact OG-CB 3.33Å; S72-R75 WeakPolarHBondContact OG-CD 3.47Å; S72-R75 WeakPolarHBondContact OG-CG 3.26Å; S72-R75 PolarHBondContact OG-N 3.5Å; S72-R75 PolarHBondContact OG-NE 3.39Å; H73-R75 VanDerWaalsContact C-N 3.29Å; H73-R75 PolarHBondContact O-N 3.49Å; R75-W77 PolarHBondContact O-N 3.42Å; R75-S78 WeakPolarHBondContact O-CB 3.32Å; R75-S78 PolarHBondContact O-N 2.87Å; R75-L79 WeakPolarHBondContact O-CG 3.39Å; R75-L79 PolarHBondContact O-N 2.85Å
76L93.8Very high93.4Very high8 Ų850.1 Ų50.14%0.04226%0.256CS..Hα-helixtrans-63.3-42.8177.9-170.662.4000111.3I71 S72 H73 S78 L79 Q80 F149 V152 F153 L156I71-L76 HydrophobicContact CG2-CB 4.26Å; S72-L76 PolarHBondContact O-N 3.01Å; H73-L76 PolarHBondContact O-N 3.45Å; H73-L76 VanDerWaalsContact O-N 3.11Å; L76-S78 PolarHBondContact O-N 3.3Å; L76-L79 PolarHBondContact O-N 3.39Å; L76-Q80 WeakPolarHBondContact O-CB 3.46Å; L76-Q80 PolarHBondContact O-N 2.96Å; L76-F149 HydrophobicContact CD1-CD1 3.71Å; L76-F149 HydrophobicContact CD1-CE1 3.73Å; L76-F149 HydrophobicContact CG-CD1 4.17Å; L76-V152 HydrophobicContact CD1-CG1 4.32Å; L76-V152 HydrophobicContact CD2-CG1 4.49Å; L76-F153 HydrophobicContact CD2-CB 4.22Å; L76-F153 HydrophobicContact CD2-CD2 3.79Å; L76-F153 HydrophobicContact CD2-CG 4.48Å; L76-L156 HydrophobicContact CD2-CD1 4.3Å
77W94.1Very high93.3Very high4 Ų445.5 Ų45.52%0.01523%0.232CC..Hα-helixtrans-65.7-35.4174-62.2-25.8000113.2L36 W44 H73 V74 R75 Q80 L81 F153 T191 M194L36-W77 HydrophobicContact CD1-CB 4.09Å; W44-W77 AromaticContact CH2-CH2 3.53Å; W44-W77 HydrophobicContact CH2-CH2 3.53Å; W44-W77 AromaticContact CH2-CZ3 3.73Å; W44-W77 HydrophobicContact CH2-CZ3 3.73Å; W44-W77 AromaticContact CZ2-CH2 3.87Å; W44-W77 HydrophobicContact CZ2-CH2 3.87Å; W44-W77 HydrophobicContact CZ2-CZ3 4.18Å; W44-W77 HydrophobicContact CZ3-CH2 4.2Å; W44-W77 AromaticContact CZ3-CZ3 3.93Å; W44-W77 HydrophobicContact CZ3-CZ3 3.93Å; H73-W77 HydrophobicContact CB-CD2 4.45Å; H73-W77 HydrophobicContact CB-CE3 4.49Å; H73-W77 HydrophobicContact CB-CH2 3.97Å; H73-W77 HydrophobicContact CB-CZ2 3.9Å; H73-W77 HydrophobicContact CB-CZ3 4.27Å; H73-W77 VanDerWaalsContact O-CG 3.29Å; H73-W77 PolarHBondContact O-N 3.4Å; V74-W77 HydrophobicContact CG1-CE3 4.16Å; V74-W77 HydrophobicContact CG1-CZ3 4.2Å; R75-W77 PolarHBondContact O-N 3.42Å; W77-Q80 PolarHBondContact O-N 2.82Å; W77-L81 VanDerWaalsContact O-CB 3.3Å; W77-L81 WeakPolarHBondContact O-CB 3.45Å; W77-L81 PolarHBondContact O-N 3.37Å; W77-F153 HydrophobicContact CZ2-CE2 4.18Å; W77-F153 HydrophobicContact CZ2-CZ 4.5Å; W77-F153 AromaticContact NE1-CD2 3.92Å; W77-F153 AromaticContact NE1-CE2 3.66Å; W77-T191 HydrophobicContact CZ2-CG2 4.4Å; W77-M194 HydrophobicContact CB-CE 3.78Å; W77-M194 HydrophobicContact CD2-CB 4.17Å; W77-M194 HydrophobicContact CD2-CE 3.92Å; W77-M194 HydrophobicContact CD2-CG 3.92Å; W77-M194 HydrophobicContact CE3-CE 4.23Å; W77-M194 HydrophobicContact CE3-CG 3.89Å; W77-M194 HydrophobicContact CG-CE 3.72Å; W77-M194 HydrophobicContact CH2-CB 4.32Å; W77-M194 HydrophobicContact CH2-CG 4.04Å; W77-M194 HydrophobicContact CZ2-CB 3.89Å; W77-M194 HydrophobicContact CZ2-CG 4.08Å; W77-M194 HydrophobicContact CZ3-CG 3.95Å
78S93.8Very high93Very high38 Ų3840.2 Ų40.227%0.26621%0.209SC..Hα-helixtrans-63.6-47174.7-610000111.2V74 R75 L76 L81 I82V74-S78 WeakPolarHBondContact O-CB 3.33Å; V74-S78 PolarHBondContact O-N 3.28Å; V74-S78 PolarHBondContact O-OG 2.98Å; R75-S78 WeakPolarHBondContact O-CB 3.32Å; R75-S78 PolarHBondContact O-N 2.87Å; L76-S78 PolarHBondContact O-N 3.3Å; S78-L81 PolarHBondContact O-N 3.13Å; S78-I82 VanDerWaalsContact O-CG1 3.28Å; S78-I82 WeakPolarHBondContact O-CG1 3.39Å; S78-I82 PolarHBondContact O-N 3.39Å
79L94.4Very high92.8Very high87 Ų8740.2 Ų40.246%0.45521%0.212SC..Hα-helixtrans-62.5-43.6176.3-69.8169.6000111.5R75 L76 L81 I82 L83 F149R75-L79 WeakPolarHBondContact O-CG 3.39Å; R75-L79 PolarHBondContact O-N 2.85Å; L76-L79 PolarHBondContact O-N 3.39Å; L79-L81 PolarHBondContact O-N 2.91Å; L79-I82 PolarHBondContact O-N 3.07Å; L79-L83 WeakPolarHBondContact O-CB 3.3Å; L79-L83 PolarHBondContact O-N 2.94Å; L79-F149 HydrophobicContact CB-CE1 3.84Å; L79-F149 HydrophobicContact CB-CZ 3.99Å
80Q95Very high92.6Very high13 Ų1343.9 Ų43.96%0.06123%0.232CC..Hα-helixtrans-56.5-50.9174.3-177.5179.75.400110.8L76 W77 I82 L83 V84 E146 F149 S198L76-Q80 WeakPolarHBondContact O-CB 3.46Å; L76-Q80 PolarHBondContact O-N 2.96Å; W77-Q80 PolarHBondContact O-N 2.82Å; Q80-I82 PolarHBondContact O-N 3.34Å; Q80-L83 PolarHBondContact O-N 3.38Å; Q80-V84 HydrophobicContact CG-CG2 4.2Å; Q80-V84 WeakPolarHBondContact O-CB 3.36Å; Q80-V84 WeakPolarHBondContact O-CG2 3.41Å; Q80-V84 PolarHBondContact O-N 3.19Å; Q80-E146 PolarHBondContact NE2-OE2 3.2Å; Q80-F149 HydrophobicContact CB-CB 4.06Å; Q80-F149 HydrophobicContact CB-CD1 3.65Å; Q80-F149 HydrophobicContact CB-CD2 4.17Å; Q80-F149 HydrophobicContact CB-CE1 4.13Å; Q80-F149 HydrophobicContact CB-CG 3.68Å; Q80-F149 HydrophobicContact CG-CB 3.74Å; Q80-F149 HydrophobicContact CG-CD1 4.29Å; Q80-F149 HydrophobicContact CG-CD2 4.22Å; Q80-F149 HydrophobicContact CG-CG 3.82Å; Q80-S198 PolarHBondContact NE2-OG 3.06Å
81L92.7Very high92.4Very high26 Ų2641.5 Ų41.514%0.13622%0.216CC..Hα-helixtrans-60.1-43.5-179179.867.5000112.1I28 R32 I33 L36 W77 S78 L79 S85I28-L81 HydrophobicContact CG2-CD1 3.54Å; R32-L81 HydrophobicContact CB-CD1 4.27Å; I33-L81 HydrophobicContact CD1-CD2 4.49Å; I33-L81 HydrophobicContact CG1-CD1 4.19Å; I33-L81 HydrophobicContact CG1-CD2 3.58Å; I33-L81 HydrophobicContact CG1-CG 4.47Å; L36-L81 HydrophobicContact CD1-CD2 4.18Å; W77-L81 VanDerWaalsContact O-CB 3.3Å; W77-L81 WeakPolarHBondContact O-CB 3.45Å; W77-L81 PolarHBondContact O-N 3.37Å; S78-L81 PolarHBondContact O-N 3.13Å; L79-L81 PolarHBondContact O-N 2.91Å; L81-S85 WeakPolarHBondContact O-CB 3.28Å; L81-S85 PolarHBondContact O-N 2.79Å; L81-S85 PolarHBondContact O-OG 3.16Å
82I92.2Very high91.9Very high103 Ų10339 Ų3953%0.52821%0.205SC..Hα-helixtrans-63.8-50.7178.7-69.5165.3000110.7S78 L79 Q80 S85 T86S78-I82 VanDerWaalsContact O-CG1 3.28Å; S78-I82 WeakPolarHBondContact O-CG1 3.39Å; S78-I82 PolarHBondContact O-N 3.39Å; L79-I82 PolarHBondContact O-N 3.07Å; Q80-I82 PolarHBondContact O-N 3.34Å; I82-S85 PolarHBondContact O-N 3.25Å; I82-T86 PolarHBondContact O-N 3.31Å; I82-T86 PolarHBondContact O-OG1 3.47Å
83L95Very high91.6Very high67 Ų6744.7 Ų44.735%0.35123%0.233SC..Hα-helixtrans-68.8-37.5-176.6-72.9174.5000112L79 Q80 T86 P87 F145 F149L79-L83 WeakPolarHBondContact O-CB 3.3Å; L79-L83 PolarHBondContact O-N 2.94Å; Q80-L83 PolarHBondContact O-N 3.38Å; L83-T86 PolarHBondContact O-N 2.82Å; L83-P87 WeakPolarHBondContact O-CD 2.98Å; L83-F145 HydrophobicContact CB-CD2 4.2Å; L83-F145 HydrophobicContact CB-CG 4.31Å; L83-F145 VanDerWaalsContact O-CD2 3.27Å; L83-F145 WeakPolarHBondContact O-CD2 3.48Å; L83-F149 HydrophobicContact CB-CE2 4.31Å; L83-F149 HydrophobicContact CD1-CE2 3.5Å; L83-F149 HydrophobicContact CD1-CZ 3.59Å
84V93.4Very high91.4Very high0 Ų047 Ų470%024%0.244CC..Hα-helixtrans-69.4-33.1175.4170.70000111.8W24 I28 Q80 R142 F145 E146W24-V84 HydrophobicContact CH2-CG1 3.97Å; W24-V84 HydrophobicContact CZ2-CG1 3.37Å; I28-V84 HydrophobicContact CD1-CG1 3.79Å; Q80-V84 HydrophobicContact CG-CG2 4.2Å; Q80-V84 WeakPolarHBondContact O-CB 3.36Å; Q80-V84 WeakPolarHBondContact O-CG2 3.41Å; Q80-V84 PolarHBondContact O-N 3.19Å; V84-R142 WeakPolarHBondContact O-CG 3.38Å; V84-F145 HydrophobicContact CG2-CB 3.82Å; V84-E146 HydrophobicContact CG1-CG 4.3Å; V84-E146 WeakPolarHBondContact CG1-OE1 3.48Å; V84-E146 HydrophobicContact CG2-CG 3.9Å
85S90.3Very high90.9Very high28 Ų2846.5 Ų46.520%0.19624%0.241CC..Hα-helixtrans-76.5-30.7177.4-59.60000113L81 I82 A88 L89L81-S85 WeakPolarHBondContact O-CB 3.28Å; L81-S85 PolarHBondContact O-N 2.79Å; L81-S85 PolarHBondContact O-OG 3.16Å; I82-S85 PolarHBondContact O-N 3.25Å; S85-A88 PolarHBondContact O-N 3.25Å; S85-A88 VanDerWaalsContact O-N 3.13Å; S85-L89 WeakPolarHBondContact O-CG 3.4Å; S85-L89 PolarHBondContact O-N 3.26Å
86T91.6Very high90.4Very high55 Ų5541.4 Ų41.434%0.33723%0.232SC..Hα-helixtrans-54.3-51.6-175.5-64.80000113.4I82 L83 A88 L89 L90I82-T86 PolarHBondContact O-N 3.31Å; I82-T86 PolarHBondContact O-OG1 3.47Å; L83-T86 PolarHBondContact O-N 2.82Å; T86-A88 VanDerWaalsContact C-N 3.3Å; T86-A88 PolarHBondContact O-N 3.34Å; T86-L89 PolarHBondContact O-N 3.02Å; T86-L90 HydrophobicContact CG2-CD1 3.99Å; T86-L90 HydrophobicContact CG2-CG 4.27Å; T86-L90 WeakPolarHBondContact O-CG 3.11Å; T86-L90 PolarHBondContact O-N 3.13Å
87P92.4Very high90.1Very high11 Ų1146.1 Ų46.17%0.07125%0.254CS..Hα-helixtrans-59.2-36.9177.5-25.132.9000114L83 L90 V91 F141 R142 F145L83-P87 WeakPolarHBondContact O-CD 2.98Å; P87-L90 PolarHBondContact O-N 3.22Å; P87-V91 WeakPolarHBondContact O-CG2 3.43Å; P87-V91 PolarHBondContact O-N 3.3Å; P87-V91 VanDerWaalsContact O-N 3.08Å; P87-F141 HydrophobicContact CB-CB 4.46Å; P87-F141 HydrophobicContact CG-CB 3.96Å; P87-R142 HydrophobicContact CB-CG 4.1Å; P87-R142 HydrophobicContact CG-CG 4.2Å; P87-F145 HydrophobicContact CG-CD2 4.3Å; P87-F145 HydrophobicContact CG-CE2 3.97Å
88A87.9Confident89.5Confident8 Ų848.8 Ų48.87%0.06627%0.266CS..Hα-helixtrans-68.2-41.1178.300000111.5V13 W24 S85 T86 V91 A92V13-A88 HydrophobicContact CG1-CB 4.32Å; W24-A88 HydrophobicContact CH2-CB 4.28Å; W24-A88 HydrophobicContact CZ3-CB 4.13Å; S85-A88 PolarHBondContact O-N 3.25Å; S85-A88 VanDerWaalsContact O-N 3.13Å; T86-A88 VanDerWaalsContact C-N 3.3Å; T86-A88 PolarHBondContact O-N 3.34Å; A88-V91 PolarHBondContact O-N 3.01Å; A88-A92 PolarHBondContact O-N 3.31Å
89L88.1Confident88.9Confident69 Ų6947.8 Ų47.836%0.36126%0.258SS..Hα-helixtrans-65.9-40.2175-68.8173.3000111.8L9 V13 S85 T86 V91 A92 M93L9-L89 HydrophobicContact CB-CD2 4.5Å; V13-L89 HydrophobicContact CG2-CD2 4.04Å; S85-L89 WeakPolarHBondContact O-CG 3.4Å; S85-L89 PolarHBondContact O-N 3.26Å; T86-L89 PolarHBondContact O-N 3.02Å; L89-V91 PolarHBondContact O-N 3.46Å; L89-A92 PolarHBondContact O-N 3.33Å; L89-M93 VanDerWaalsContact O-CB 3.31Å; L89-M93 WeakPolarHBondContact O-CB 3.31Å; L89-M93 PolarHBondContact O-N 2.96Å
90L91.1Very high88.4Confident94 Ų9449.4 Ų49.449%0.49226%0.262SS..Hα-helixtrans-61.8-42.2176-73175.6000111.9T86 P87 M93 H94T86-L90 HydrophobicContact CG2-CD1 3.99Å; T86-L90 HydrophobicContact CG2-CG 4.27Å; T86-L90 WeakPolarHBondContact O-CG 3.11Å; T86-L90 PolarHBondContact O-N 3.13Å; P87-L90 PolarHBondContact O-N 3.22Å; L90-M93 HydrophobicContact CD2-CE 3.91Å; L90-M93 PolarHBondContact O-N 3.4Å; L90-H94 VanDerWaalsContact O-CB 3.31Å; L90-H94 WeakPolarHBondContact O-CB 3.33Å; L90-H94 PolarHBondContact O-N 2.56Å
91V87.9Confident88Confident18 Ų1852.6 Ų52.611%0.10928%0.279CS..Hα-helixtrans-64.7-44.5174.6170.60000111.3P87 A88 L89 M93 H94 V95 Y135 S138P87-V91 WeakPolarHBondContact O-CG2 3.43Å; P87-V91 PolarHBondContact O-N 3.3Å; P87-V91 VanDerWaalsContact O-N 3.08Å; A88-V91 PolarHBondContact O-N 3.01Å; L89-V91 PolarHBondContact O-N 3.46Å; V91-M93 VanDerWaalsContact C-N 3.33Å; V91-M93 PolarHBondContact O-N 2.9Å; V91-H94 PolarHBondContact O-N 3.08Å; V91-V95 WeakPolarHBondContact O-CG2 3.35Å; V91-V95 PolarHBondContact O-N 3.21Å; V91-Y135 HydrophobicContact CG1-CD2 4.15Å; V91-S138 VanDerWaalsContact CG2-CB 3.44Å; V91-S138 WeakPolarHBondContact CG2-OG 3.12Å
92A84.2Confident87.5Confident14 Ų1456 Ų5612%0.11630%0.295CS..Hα-helixtrans-62.6-41.2177.800000112V13 A88 L89 V95 A96V13-A92 HydrophobicContact CB-CB 4.17Å; V13-A92 HydrophobicContact CG1-CB 4.22Å; V13-A92 HydrophobicContact CG2-CB 3.65Å; A88-A92 PolarHBondContact O-N 3.31Å; L89-A92 PolarHBondContact O-N 3.33Å; A92-V95 PolarHBondContact O-N 2.92Å; A92-A96 WeakPolarHBondContact O-CB 3.18Å; A92-A96 PolarHBondContact O-N 3.31Å
93M87Confident86.9Confident120 Ų12053.3 Ų53.359%0.59128%0.279SS*.Hα-helixtrans-64-43.7174.8-178.5-113-79.900111.4L89 L90 V91 V95 A96 H97L89-M93 VanDerWaalsContact O-CB 3.31Å; L89-M93 WeakPolarHBondContact O-CB 3.31Å; L89-M93 PolarHBondContact O-N 2.96Å; L90-M93 HydrophobicContact CD2-CE 3.91Å; L90-M93 PolarHBondContact O-N 3.4Å; V91-M93 VanDerWaalsContact C-N 3.33Å; V91-M93 PolarHBondContact O-N 2.9Å; M93-V95 PolarHBondContact O-N 3.07Å; M93-A96 PolarHBondContact O-N 3.46Å; M93-H97 VanDerWaalsContact O-CB 3.25Å; M93-H97 WeakPolarHBondContact O-CB 3.18Å; M93-H97 PolarHBondContact O-N 2.98Å
94H86.7Confident86.5Confident52 Ų5256.2 Ų56.224%0.24129%0.289CS..Hα-helixtrans-58.9-45.2175.1176.5-103.8000111.8L90 V91 H97 Q98 L131L90-H94 VanDerWaalsContact O-CB 3.31Å; L90-H94 WeakPolarHBondContact O-CB 3.33Å; L90-H94 PolarHBondContact O-N 2.56Å; V91-H94 PolarHBondContact O-N 3.08Å; H94-H97 PolarHBondContact O-N 3.3Å; H94-Q98 VanDerWaalsContact CE1-CD 3.49Å; H94-Q98 PolarHBondContact CE1-NE2 3.18Å; H94-Q98 PolarHBondContact NE2-NE2 3.43Å; H94-Q98 WeakPolarHBondContact O-CG 3.5Å; H94-Q98 PolarHBondContact O-N 3.12Å; H94-L131 WeakPolarHBondContact ND1-CD1 3.37Å
95V83.8Confident86Confident4 Ų461.2 Ų61.22%0.02431%0.313CS..Hα-helixtrans-64.5-45.5175.91750000111.5H16 V91 A92 M93 H97 Q98 Q99 V125 L131H16-V95 HydrophobicContact CB-CG1 4.38Å; H16-V95 WeakPolarHBondContact ND1-CG1 3.48Å; V91-V95 WeakPolarHBondContact O-CG2 3.35Å; V91-V95 PolarHBondContact O-N 3.21Å; A92-V95 PolarHBondContact O-N 2.92Å; M93-V95 PolarHBondContact O-N 3.07Å; V95-H97 VanDerWaalsContact C-N 3.29Å; V95-H97 PolarHBondContact O-N 3.39Å; V95-Q98 PolarHBondContact O-N 2.6Å; V95-Q99 WeakPolarHBondContact O-CG 3.46Å; V95-Q99 PolarHBondContact O-N 3.04Å; V95-V125 HydrophobicContact CG1-CG2 4.01Å; V95-L131 HydrophobicContact CG2-CD1 3.51Å; V95-L131 HydrophobicContact CG2-CD2 4.09Å; V95-L131 HydrophobicContact CG2-CG 4.43Å
96A83.4Confident85.6Confident50 Ų5062 Ų6241%0.41332%0.315SS..Hα-helixtrans-61.9-39.2178.400000111.8A92 M93 Q99 H100A92-A96 WeakPolarHBondContact O-CB 3.18Å; A92-A96 PolarHBondContact O-N 3.31Å; M93-A96 PolarHBondContact O-N 3.46Å; A96-Q99 PolarHBondContact O-N 2.9Å; A96-H100 WeakPolarHBondContact O-CB 3.23Å; A96-H100 PolarHBondContact O-N 3.45Å
97H86.3Confident85.1Confident108 Ų10866.9 Ų66.950%0.533%0.327SS..Hα-helixtrans-65.8-44.7176.2-179-99.7000111.8M93 H94 V95 Q99 H100 I101M93-H97 VanDerWaalsContact O-CB 3.25Å; M93-H97 WeakPolarHBondContact O-CB 3.18Å; M93-H97 PolarHBondContact O-N 2.98Å; H94-H97 PolarHBondContact O-N 3.3Å; V95-H97 VanDerWaalsContact C-N 3.29Å; V95-H97 PolarHBondContact O-N 3.39Å; H97-Q99 PolarHBondContact O-N 3.09Å; H97-H100 WeakPolarHBondContact O-CB 3.33Å; H97-H100 PolarHBondContact O-N 3.37Å; H97-I101 WeakPolarHBondContact CE1-CD1 3.3Å; H97-I101 WeakPolarHBondContact O-CG1 3.43Å; H97-I101 PolarHBondContact O-N 3.3Å
98Q83.6Confident84.7Confident59 Ų5972.6 Ų72.628%0.27636%0.357SS..Hα-helixtrans-59.5-47.7174.6-74.8-173.8-26.900111.6H94 V95 H100 I101 E102H94-Q98 VanDerWaalsContact CE1-CD 3.49Å; H94-Q98 PolarHBondContact CE1-NE2 3.18Å; H94-Q98 PolarHBondContact NE2-NE2 3.43Å; H94-Q98 WeakPolarHBondContact O-CG 3.5Å; H94-Q98 PolarHBondContact O-N 3.12Å; V95-Q98 PolarHBondContact O-N 2.6Å; Q98-H100 VanDerWaalsContact C-N 3.27Å; Q98-H100 PolarHBondContact O-N 2.87Å; Q98-I101 PolarHBondContact O-N 2.87Å; Q98-I101 VanDerWaalsContact O-N 3.16Å; Q98-E102 WeakPolarHBondContact O-CG 3.5Å; Q98-E102 PolarHBondContact O-N 2.88Å
99Q79.4Confident84.5Confident18 Ų1878.4 Ų78.48%0.08438%0.382CS..Hα-helixtrans-61.4-36.7176-71.7-171.7-23.500112.3V95 A96 H97 E102 K103 V125V95-Q99 WeakPolarHBondContact O-CG 3.46Å; V95-Q99 PolarHBondContact O-N 3.04Å; A96-Q99 PolarHBondContact O-N 2.9Å; H97-Q99 PolarHBondContact O-N 3.09Å; Q99-E102 PolarHBondContact O-N 3.4Å; Q99-K103 WeakPolarHBondContact O-CB 3.49Å; Q99-K103 WeakPolarHBondContact O-CG 3.21Å; Q99-K103 PolarHBondContact O-N 3.16Å; Q99-V125 HydrophobicContact CG-CG2 4.22Å
100H84.9Confident83.8Confident120 Ų12078.3 Ų78.356%0.55640%0.398SS*.Hα-helixtrans-65-41.2176.6-179.4-92.1000111.7A96 H97 Q98 K104A96-H100 WeakPolarHBondContact O-CB 3.23Å; A96-H100 PolarHBondContact O-N 3.45Å; H97-H100 WeakPolarHBondContact O-CB 3.33Å; H97-H100 PolarHBondContact O-N 3.37Å; Q98-H100 VanDerWaalsContact C-N 3.27Å; Q98-H100 PolarHBondContact O-N 2.87Å; H100-K104 WeakPolarHBondContact O-CB 3.31Å; H100-K104 PolarHBondContact O-N 3.26Å
101I85.8Confident82.8Confident81 Ų8178.6 Ų78.642%0.41540%0.397SS..Hα-helixtrans-64.3-48.4174.6-68.2172.5000110.7H97 Q98 K103 K104 M105H97-I101 WeakPolarHBondContact CE1-CD1 3.3Å; H97-I101 WeakPolarHBondContact O-CG1 3.43Å; H97-I101 PolarHBondContact O-N 3.3Å; Q98-I101 PolarHBondContact O-N 2.87Å; Q98-I101 VanDerWaalsContact O-N 3.16Å; I101-K103 VanDerWaalsContact C-N 3.32Å; I101-K103 PolarHBondContact O-N 2.93Å; I101-K104 WeakPolarHBondContact O-CA 3.45Å; I101-K104 WeakPolarHBondContact O-CB 3.25Å; I101-K104 PolarHBondContact O-N 3.02Å; I101-M105 HydrophobicContact CG2-CG 4.34Å; I101-M105 WeakPolarHBondContact O-CG 3.39Å; I101-M105 PolarHBondContact O-N 3.47Å
102E82Confident81.8Confident98 Ų9880 Ų8046%0.45841%0.414SS..Hα-helixtrans-57.1-45.3178-72.7175.7172.600111.5Q98 Q99 K104 M105 L106Q98-E102 WeakPolarHBondContact O-CG 3.5Å; Q98-E102 PolarHBondContact O-N 2.88Å; Q99-E102 PolarHBondContact O-N 3.4Å; E102-K104 VanDerWaalsContact C-N 3.28Å; E102-K104 PolarHBondContact O-N 3.4Å; E102-M105 PolarHBondContact O-N 2.92Å; E102-L106 WeakPolarHBondContact O-CG 3.31Å; E102-L106 PolarHBondContact O-N 3.12Å
103K80.5Confident81.3Confident45 Ų4584.1 Ų84.120%0.19644%0.435CS..Hα-helixtrans-61.7-34.7174.9-72.7177.3178.2177.10112.8Q99 I101 R107 L117 V120Q99-K103 WeakPolarHBondContact O-CB 3.49Å; Q99-K103 WeakPolarHBondContact O-CG 3.21Å; Q99-K103 PolarHBondContact O-N 3.16Å; I101-K103 VanDerWaalsContact C-N 3.32Å; I101-K103 PolarHBondContact O-N 2.93Å; K103-R107 WeakPolarHBondContact O-CD 3.36Å; K103-R107 VanDerWaalsContact O-CG 3.24Å; K103-R107 WeakPolarHBondContact O-CG 2.99Å; K103-R107 PolarHBondContact O-N 3.28Å; K103-L117 HydrophobicContact CB-CD1 3.83Å; K103-L117 HydrophobicContact CD-CD1 3.86Å; K103-L117 HydrophobicContact CD-CG 4.48Å; K103-L117 HydrophobicContact CG-CD1 3.56Å; K103-V120 HydrophobicContact CG-CB 4.48Å; K103-V120 HydrophobicContact CG-CG1 3.88Å
104K85.8Confident80.5Confident129 Ų12983.1 Ų83.156%0.56144%0.437SS*.Hα-helixtrans-69.4-41.2176.1-172.2179.9178.1-176.60111.2H100 I101 E102 R107 L108H100-K104 WeakPolarHBondContact O-CB 3.31Å; H100-K104 PolarHBondContact O-N 3.26Å; I101-K104 WeakPolarHBondContact O-CA 3.45Å; I101-K104 WeakPolarHBondContact O-CB 3.25Å; I101-K104 PolarHBondContact O-N 3.02Å; E102-K104 VanDerWaalsContact C-N 3.28Å; E102-K104 PolarHBondContact O-N 3.4Å; K104-R107 PolarHBondContact O-N 2.86Å; K104-L108 WeakPolarHBondContact O-CG 3.25Å; K104-L108 PolarHBondContact O-N 2.82Å
105M83.3Confident79.7Confident104 Ų10486.9 Ų86.951%0.51246%0.458SS..Hα-helixtrans-66.2-45.3178.7-61.7-62.1-88.300111.7I101 E102 R107 L108 E109I101-M105 HydrophobicContact CG2-CG 4.34Å; I101-M105 WeakPolarHBondContact O-CG 3.39Å; I101-M105 PolarHBondContact O-N 3.47Å; E102-M105 PolarHBondContact O-N 2.92Å; M105-R107 VanDerWaalsContact C-N 3.26Å; M105-R107 PolarHBondContact O-N 3.44Å; M105-L108 WeakPolarHBondContact O-CA 3.36Å; M105-L108 WeakPolarHBondContact O-CB 3.47Å; M105-L108 PolarHBondContact O-N 3.46Å; M105-L108 HydrophobicContact SD-CD1 4.48Å; M105-E109 PolarHBondContact O-N 3.45Å
106L82.6Confident78.9Confident46 Ų4690.1 Ų90.124%0.24147%0.473CS..Hα-helixtrans-61.1-34.9177.3-70.5167.7000113E102 L108 H111 V120E102-L106 WeakPolarHBondContact O-CG 3.31Å; E102-L106 PolarHBondContact O-N 3.12Å; L106-L108 VanDerWaalsContact C-N 3.33Å; L106-H111 CarbonylContact O-C 3.52Å; L106-H111 PolarHBondContact O-N 3.48Å; L106-H111 VanDerWaalsContact O-N 3.1Å; L106-V120 HydrophobicContact CD1-CG2 3.28Å
107R81.4Confident78.1Confident156 Ų15690 Ų9059%0.58947%0.466SS*.Hα-helixtrans-67.5-31.7173.2-74.2173179.4177.1-1.8112.8K103 K104 M105K103-R107 WeakPolarHBondContact O-CD 3.36Å; K103-R107 VanDerWaalsContact O-CG 3.24Å; K103-R107 WeakPolarHBondContact O-CG 2.99Å; K103-R107 PolarHBondContact O-N 3.28Å; K104-R107 PolarHBondContact O-N 2.86Å; M105-R107 VanDerWaalsContact C-N 3.26Å; M105-R107 PolarHBondContact O-N 3.44Å
108L83.6Confident77.2Confident131 Ų13191 Ų9169%0.68647%0.47SS*.Hα-helixtrans-76.7-33.3177-69.5171000112.1K104 M105 L106 G110K104-L108 WeakPolarHBondContact O-CG 3.25Å; K104-L108 PolarHBondContact O-N 2.82Å; M105-L108 WeakPolarHBondContact O-CA 3.36Å; M105-L108 WeakPolarHBondContact O-CB 3.47Å; M105-L108 PolarHBondContact O-N 3.46Å; M105-L108 HydrophobicContact SD-CD1 4.48Å; L106-L108 VanDerWaalsContact C-N 3.33Å; L108-G110 PolarHBondContact O-N 3.03Å; L108-G110 VanDerWaalsContact O-N 3.15Å
109E82.5Confident76.4Confident130 Ų13093.3 Ų93.361%0.60748%0.481SS*.THydrogen-bonded Turntrans-75.810.7176.3-68.1175.1162.700113.5M105 H111M105-E109 PolarHBondContact O-N 3.45Å; E109-H111 PolarHBondContact O-N 3.44Å; E109-H111 PolarHBondContact O-ND1 3.28Å
110G73.4Confident75.7Confident67 Ų6793.4 Ų93.469%0.69148%0.483SS*.THydrogen-bonded Turntrans74.2-0.6-179.700000114.9L108 G112L108-G110 PolarHBondContact O-N 3.03Å; L108-G110 VanDerWaalsContact O-N 3.15Å; G110-G112 PolarHBondContact O-N 3.08Å; G110-G112 VanDerWaalsContact O-N 3.13Å
111H71.2Confident74.7Confident100 Ų10092.3 Ų92.346%0.46348%0.476SS..  trans-89.547.5179-6975.6000111.4L106 E109 D113 H116L106-H111 CarbonylContact O-C 3.52Å; L106-H111 PolarHBondContact O-N 3.48Å; L106-H111 VanDerWaalsContact O-N 3.1Å; E109-H111 PolarHBondContact O-N 3.44Å; E109-H111 PolarHBondContact O-ND1 3.28Å; H111-D113 PolarHBondContact O-N 2.92Å; H111-H116 AromaticContact CD2-ND1 3.98Å
112G67.2Low73.4Confident47 Ų4798.6 Ų98.649%0.48550%0.495SS..  trans-75.65.5-177.900000115.1G110G110-G112 PolarHBondContact O-N 3.08Å; G110-G112 VanDerWaalsContact O-N 3.13Å
113D72.1Confident72.2Confident101 Ų10199.9 Ų99.954%0.5450%0.501SS..  trans-59.7135.3-175.5-78-27.2000111.7H111 L115 H116 L117H111-D113 PolarHBondContact O-N 2.92Å; D113-L115 PolarHBondContact O-N 3.45Å; D113-L115 VanDerWaalsContact O-N 3.09Å; D113-H116 PolarHBondContact O-N 3.44Å; D113-H116 VanDerWaalsContact O-N 3.07Å; D113-L117 PolarHBondContact O-N 3.05Å; D113-L117 VanDerWaalsContact O-N 3.14Å
114P71.9Confident71Confident100 Ų100105.9 Ų105.965%0.64953%0.527SS*.Hα-helixtrans-58.7-29.4-176.522.7-32.8000112L117 E118P114-L117 PolarHBondContact O-N 3.34Å; P114-E118 WeakPolarHBondContact O-CB 3.29Å; P114-E118 WeakPolarHBondContact O-CG 3.44Å; P114-E118 PolarHBondContact O-N 2.96Å
115L69.6Low69.7Low130 Ų130101.6 Ų101.668%0.68151%0.511SS*.Hα-helixtrans-67-42.6178.6-159.1127000112.1D113 E118 E119D113-L115 PolarHBondContact O-N 3.45Å; D113-L115 VanDerWaalsContact O-N 3.09Å; L115-E118 PolarHBondContact O-N 3.43Å; L115-E119 WeakPolarHBondContact O-CB 3.25Å; L115-E119 PolarHBondContact O-N 3.1Å
116H66.1Low68.4Low73 Ų73102.3 Ų102.334%0.33851%0.513SS..Hα-helixtrans-69-36.7175.2-76.1-160.1000111.4H111 D113 E119 V120H111-H116 AromaticContact CD2-ND1 3.98Å; D113-H116 PolarHBondContact O-N 3.44Å; D113-H116 VanDerWaalsContact O-N 3.07Å; H116-E119 WeakPolarHBondContact O-CB 3.33Å; H116-E119 PolarHBondContact O-N 2.99Å; H116-V120 WeakPolarHBondContact O-CG2 3.4Å; H116-V120 PolarHBondContact O-N 2.64Å
117L67.7Low67.5Low48 Ų48101.2 Ų101.225%0.25151%0.507SS..Hα-helixtrans-67.5-38.7177.5-163.875.2000112.6K103 D113 P114 E119 K121K103-L117 HydrophobicContact CB-CD1 3.83Å; K103-L117 HydrophobicContact CD-CD1 3.86Å; K103-L117 HydrophobicContact CD-CG 4.48Å; K103-L117 HydrophobicContact CG-CD1 3.56Å; D113-L117 PolarHBondContact O-N 3.05Å; D113-L117 VanDerWaalsContact O-N 3.14Å; P114-L117 PolarHBondContact O-N 3.34Å; L117-E119 VanDerWaalsContact C-N 3.34Å; L117-K121 PolarHBondContact O-N 3.05Å
118E67.6Low66.6Low128 Ų12896.9 Ų96.960%0.59850%0.501SS*.Hα-helixtrans-63.2-41.1171.5-77.7-107.1108.300111P114 L115 K121 R122P114-E118 WeakPolarHBondContact O-CB 3.29Å; P114-E118 WeakPolarHBondContact O-CG 3.44Å; P114-E118 PolarHBondContact O-N 2.96Å; L115-E118 PolarHBondContact O-N 3.43Å; E118-K121 WeakPolarHBondContact O-CB 3.3Å; E118-K121 PolarHBondContact O-N 2.93Å; E118-K121 VanDerWaalsContact O-N 3.17Å; E118-R122 WeakPolarHBondContact O-CB 3.44Å; E118-R122 PolarHBondContact O-N 3.15Å
119E65.8Low66.4Low108 Ų10893.2 Ų93.251%0.50550%0.495SS..Hα-helixtrans-63.2-43.2177.3-168.8168.7-166.600112L115 H116 L117 K121 R122 H123L115-E119 WeakPolarHBondContact O-CB 3.25Å; L115-E119 PolarHBondContact O-N 3.1Å; H116-E119 WeakPolarHBondContact O-CB 3.33Å; H116-E119 PolarHBondContact O-N 2.99Å; L117-E119 VanDerWaalsContact C-N 3.34Å; E119-K121 VanDerWaalsContact C-N 3.27Å; E119-K121 PolarHBondContact O-N 3.4Å; E119-R122 CarbonylContact O-C 3.42Å; E119-R122 PolarHBondContact O-N 2.99Å; E119-H123 WeakPolarHBondContact O-CB 3.44Å; E119-H123 PolarHBondContact O-N 3.25Å
120V64.4Low66.3Low19 Ų1991.9 Ų91.912%0.11550%0.496CS..Hα-helixtrans-60.8-37.7173.6176.10000111.6K103 L106 H116 R122 H123K103-V120 HydrophobicContact CG-CB 4.48Å; K103-V120 HydrophobicContact CG-CG1 3.88Å; L106-V120 HydrophobicContact CD1-CG2 3.28Å; H116-V120 WeakPolarHBondContact O-CG2 3.4Å; H116-V120 PolarHBondContact O-N 2.64Å; V120-R122 VanDerWaalsContact C-N 3.34Å; V120-H123 PolarHBondContact O-N 2.8Å
121K63.5Low66.8Low97 Ų9789.1 Ų89.142%0.42247%0.465SS..Hα-helixtrans-65.1-41.5175-163.9-177.8179.8-176.80110.1R15 L117 E118 E119R15-K121 VanDerWaalsContact NH2-C 3.28Å; R15-K121 PolarHBondContact NH2-O 2.94Å; L117-K121 PolarHBondContact O-N 3.05Å; E118-K121 WeakPolarHBondContact O-CB 3.3Å; E118-K121 PolarHBondContact O-N 2.93Å; E118-K121 VanDerWaalsContact O-N 3.17Å; E119-K121 VanDerWaalsContact C-N 3.27Å; E119-K121 PolarHBondContact O-N 3.4Å
122R59.2Low67.4Low213 Ų21386 Ų8680%0.80445%0.449SS*.Hα-helixtrans-77.6-23.7-178.9-137.7-179.3-164.2-176.55.6113.1E118 E119 V120 K124E118-R122 WeakPolarHBondContact O-CB 3.44Å; E118-R122 PolarHBondContact O-N 3.15Å; E119-R122 CarbonylContact O-C 3.42Å; E119-R122 PolarHBondContact O-N 2.99Å; V120-R122 VanDerWaalsContact C-N 3.34Å; R122-K124 PolarHBondContact O-N 2.92Å
123H57.5Low68.4Low126 Ų12690.8 Ų90.858%0.58345%0.453SS*.SBendtrans-58.9105.3178.6-130.793.2000107.9E119 V120 V125E119-H123 WeakPolarHBondContact O-CB 3.44Å; E119-H123 PolarHBondContact O-N 3.25Å; V120-H123 PolarHBondContact O-N 2.8Å; H123-V125 VanDerWaalsContact C-N 3.26Å; H123-V125 PolarHBondContact O-N 3.46Å
124K55.3Low69.2Low170 Ų17088 Ų8874%0.73944%0.439SS*.  trans-6993.1179.4-165.8177.5-171.5177.40105.5R122 H126R122-K124 PolarHBondContact O-N 2.92Å; K124-H126 PolarHBondContact O-N 3.39Å
125V58.5Low70Confident39 Ų3983.7 Ų83.724%0.23641%0.41CS..  trans-44.8105.5-174.7-173.80000108V95 Q99 H123 I127 L131V95-V125 HydrophobicContact CG1-CG2 4.01Å; Q99-V125 HydrophobicContact CG-CG2 4.22Å; H123-V125 VanDerWaalsContact C-N 3.26Å; H123-V125 PolarHBondContact O-N 3.46Å; V125-I127 PolarHBondContact O-N 2.95Å; V125-L131 HydrophobicContact CB-CD2 4.41Å; V125-L131 HydrophobicContact CG1-CD2 3.49Å; V125-L131 VanDerWaalsContact CG1-CD2 3.49Å
126H56.4Low71Confident120 Ų12079 Ų7956%0.55639%0.387SS*.  trans-69.4122.1-173.9-175.5-85.4000106.4K124 S128K124-H126 PolarHBondContact O-N 3.39Å; H126-S128 PolarHBondContact CE1-OG 3.43Å; H126-S128 VanDerWaalsContact CE1-OG 3.25Å; H126-S128 PolarHBondContact ND1-OG 3.34Å; H126-S128 PolarHBondContact O-N 3.35Å
127I61.9Low72.2Confident23 Ų2379.5 Ų79.512%0.11839%0.391CS..  trans-66.681.5-178.1-50.6174.7000109.2T18 V125 W132T18-I127 HydrophobicContact CG2-CD1 4.07Å; V125-I127 PolarHBondContact O-N 2.95Å; I127-W132 HydrophobicContact CG2-CB 3.88Å; I127-W132 HydrophobicContact CG2-CG 4.2Å
128S64.1Low73.5Confident64 Ų6477.6 Ų77.645%0.44838%0.382SS..  trans-133.1148.2-177.5-86.70000109.7H126H126-S128 PolarHBondContact CE1-OG 3.43Å; H126-S128 VanDerWaalsContact CE1-OG 3.25Å; H126-S128 PolarHBondContact ND1-OG 3.34Å; H126-S128 PolarHBondContact O-N 3.35Å
129G78.7Confident74.7Confident55 Ų5571.5 Ų71.557%0.56735%0.353SS*.THydrogen-bonded Turntrans69.3-137.8178.100000113.3L131 W132G129-L131 VanDerWaalsContact C-N 3.28Å; G129-L131 PolarHBondContact O-N 3.21Å; G129-W132 WeakPolarHBondContact O-CB 3.25Å; G129-W132 PolarHBondContact O-N 2.94Å; G129-W132 VanDerWaalsContact O-N 3.16Å
130T81Confident76Confident101 Ų10169.9 Ų69.962%0.6235%0.35SS*.Hα-helixtrans-58.7-36.2-175.9-47.70000112.9W132 W133 T134T130-W132 PolarHBondContact O-N 3.41Å; T130-W133 PolarHBondContact O-N 3.45Å; T130-W133 VanDerWaalsContact O-N 3.1Å; T130-T134 PolarHBondContact O-N 2.99Å; T130-T134 VanDerWaalsContact O-N 3.15Å
131L82.6Confident77.6Confident10 Ų1073.7 Ų73.75%0.05237%0.366CS..Hα-helixtrans-63.4-29.9-179.8-17566.1000112.6H94 V95 V125 G129 T134 Y135H94-L131 WeakPolarHBondContact ND1-CD1 3.37Å; V95-L131 HydrophobicContact CG2-CD1 3.51Å; V95-L131 HydrophobicContact CG2-CD2 4.09Å; V95-L131 HydrophobicContact CG2-CG 4.43Å; V125-L131 HydrophobicContact CB-CD2 4.41Å; V125-L131 HydrophobicContact CG1-CD2 3.49Å; V125-L131 VanDerWaalsContact CG1-CD2 3.49Å; G129-L131 VanDerWaalsContact C-N 3.28Å; G129-L131 PolarHBondContact O-N 3.21Å; L131-T134 WeakPolarHBondContact CA-OG1 3.28Å; L131-T134 PolarHBondContact O-OG1 3.32Å; L131-Y135 VanDerWaalsContact O-CB 3.29Å; L131-Y135 WeakPolarHBondContact O-CB 3.48Å; L131-Y135 PolarHBondContact O-N 3.48Å
132W85Confident79.1Confident34 Ų3469.5 Ų69.513%0.12935%0.347CS..Hα-helixtrans-66.2-40.8175.7-174.381.2000111.4I127 G129 T130 Y135 V136 L212 A216 R219I127-W132 HydrophobicContact CG2-CB 3.88Å; I127-W132 HydrophobicContact CG2-CG 4.2Å; G129-W132 WeakPolarHBondContact O-CB 3.25Å; G129-W132 PolarHBondContact O-N 2.94Å; G129-W132 VanDerWaalsContact O-N 3.16Å; T130-W132 PolarHBondContact O-N 3.41Å; W132-Y135 PolarHBondContact O-N 3.25Å; W132-V136 HydrophobicContact CD2-CG2 3.9Å; W132-V136 HydrophobicContact CE3-CG2 4.03Å; W132-V136 HydrophobicContact CH2-CG2 3.75Å; W132-V136 HydrophobicContact CZ2-CG2 3.58Å; W132-V136 HydrophobicContact CZ3-CG2 3.96Å; W132-V136 VanDerWaalsContact O-CG2 3.25Å; W132-V136 WeakPolarHBondContact O-CG2 3.33Å; W132-V136 PolarHBondContact O-N 2.93Å; W132-L212 HydrophobicContact CZ2-CB 4.5Å; W132-A216 HydrophobicContact CH2-CB 4.02Å; W132-A216 HydrophobicContact CZ2-CB 3.81Å; W132-R219 VanDerWaalsContact CD1-NH2 3.34Å
133W87.2Confident80.8Confident148 Ų14861.4 Ų61.456%0.56132%0.32SS*.Hα-helixtrans-68-45.4178.1-75.1108.6000112.3T130 Y135 V136 I137T130-W133 PolarHBondContact O-N 3.45Å; T130-W133 VanDerWaalsContact O-N 3.1Å; W133-Y135 PolarHBondContact O-N 3.47Å; W133-V136 PolarHBondContact O-N 2.92Å; W133-I137 WeakPolarHBondContact O-CB 3.3Å; W133-I137 VanDerWaalsContact O-CG1 3.25Å; W133-I137 WeakPolarHBondContact O-CG1 3.48Å; W133-I137 PolarHBondContact O-N 3.18Å
134T89.1Confident82.7Confident41 Ų4159.6 Ų59.625%0.25231%0.314SS..Hα-helixtrans-60-39.3176.156.30000111.1T130 L131 S138T130-T134 PolarHBondContact O-N 2.99Å; T130-T134 VanDerWaalsContact O-N 3.15Å; L131-T134 WeakPolarHBondContact CA-OG1 3.28Å; L131-T134 PolarHBondContact O-OG1 3.32Å; T134-S138 WeakPolarHBondContact O-CB 3.35Å; T134-S138 PolarHBondContact O-N 2.97Å
135Y88.6Confident84.7Confident11 Ų1153.7 Ų53.74%0.04329%0.288CS..Hα-helixtrans-64.2-50.8175.8-172.5-98.5000111.9T18 V91 L131 W132 W133 I137 S138 V139 E208 L212T18-Y135 HydrophobicContact CG2-CE1 4.11Å; T18-Y135 WeakPolarHBondContact CG2-OH 3.38Å; T18-Y135 PolarHBondContact OG1-OH 3.46Å; T18-Y135 VanDerWaalsContact OG1-OH 3.07Å; V91-Y135 HydrophobicContact CG1-CD2 4.15Å; L131-Y135 VanDerWaalsContact O-CB 3.29Å; L131-Y135 WeakPolarHBondContact O-CB 3.48Å; L131-Y135 PolarHBondContact O-N 3.48Å; W132-Y135 PolarHBondContact O-N 3.25Å; W133-Y135 PolarHBondContact O-N 3.47Å; Y135-I137 VanDerWaalsContact C-N 3.34Å; Y135-I137 PolarHBondContact O-N 2.87Å; Y135-S138 WeakPolarHBondContact O-CB 3.4Å; Y135-S138 PolarHBondContact O-N 3.49Å; Y135-S138 VanDerWaalsContact O-N 3.11Å; Y135-S138 PolarHBondContact O-OG 3.45Å; Y135-V139 HydrophobicContact CD1-CG2 4.23Å; Y135-V139 HydrophobicContact CE1-CG2 3.87Å; Y135-V139 WeakPolarHBondContact O-CG2 3.39Å; Y135-V139 PolarHBondContact O-N 2.89Å; Y135-E208 HydrophobicContact CE1-CG 4.36Å; Y135-E208 WeakPolarHBondContact CE1-OE1 3.4Å; Y135-E208 VanDerWaalsContact CZ-OE1 3.28Å; Y135-E208 PolarHBondContact OH-OE1 2.91Å; Y135-L212 HydrophobicContact CD1-CD1 3.78Å; Y135-L212 HydrophobicContact CD1-CD2 4.12Å; Y135-L212 HydrophobicContact CE1-CD1 3.75Å; Y135-L212 HydrophobicContact CE1-CD2 4.1Å; Y135-L212 HydrophobicContact CE1-CG 4.43Å
136V90.8Very high86.5Confident31 Ų3151.9 Ų51.919%0.18828%0.277CS..Hα-helixtrans-57.1-48.1178.1169.40000111.1W132 W133 S138 V139 V140 L212W132-V136 HydrophobicContact CD2-CG2 3.9Å; W132-V136 HydrophobicContact CE3-CG2 4.03Å; W132-V136 HydrophobicContact CH2-CG2 3.75Å; W132-V136 HydrophobicContact CZ2-CG2 3.58Å; W132-V136 HydrophobicContact CZ3-CG2 3.96Å; W132-V136 VanDerWaalsContact O-CG2 3.25Å; W132-V136 WeakPolarHBondContact O-CG2 3.33Å; W132-V136 PolarHBondContact O-N 2.93Å; W133-V136 PolarHBondContact O-N 2.92Å; V136-S138 VanDerWaalsContact C-N 3.28Å; V136-S138 PolarHBondContact O-N 3.13Å; V136-V139 PolarHBondContact O-N 3.2Å; V136-V140 WeakPolarHBondContact O-CG2 3.19Å; V136-V140 PolarHBondContact O-N 3.06Å; V136-L212 HydrophobicContact CG2-CD1 3.91Å
137I92.4Very high88.4Confident84 Ų8448.4 Ų48.443%0.43127%0.269SS..Hα-helixtrans-58.3-43.4177.6-70.3168.3000110.3W133 Y135 V139 V140 F141W133-I137 WeakPolarHBondContact O-CB 3.3Å; W133-I137 VanDerWaalsContact O-CG1 3.25Å; W133-I137 WeakPolarHBondContact O-CG1 3.48Å; W133-I137 PolarHBondContact O-N 3.18Å; Y135-I137 VanDerWaalsContact C-N 3.34Å; Y135-I137 PolarHBondContact O-N 2.87Å; I137-V139 VanDerWaalsContact C-N 3.34Å; I137-V139 PolarHBondContact O-N 3.29Å; I137-V140 PolarHBondContact O-N 3.31Å; I137-F141 HydrophobicContact CG2-CD2 3.51Å; I137-F141 HydrophobicContact CG2-CE2 3.43Å; I137-F141 VanDerWaalsContact CG2-CE2 3.43Å; I137-F141 VanDerWaalsContact O-CD2 3.26Å; I137-F141 WeakPolarHBondContact O-CD2 3.45Å; I137-F141 PolarHBondContact O-N 3.38Å
138S93.5Very high90.1Very high7 Ų750.7 Ų50.75%0.04928%0.284CS..Hα-helixtrans-61.2-40.4178.481.10000113.2V91 T134 Y135 V136 F141 R142V91-S138 VanDerWaalsContact CG2-CB 3.44Å; V91-S138 WeakPolarHBondContact CG2-OG 3.12Å; T134-S138 WeakPolarHBondContact O-CB 3.35Å; T134-S138 PolarHBondContact O-N 2.97Å; Y135-S138 WeakPolarHBondContact O-CB 3.4Å; Y135-S138 PolarHBondContact O-N 3.49Å; Y135-S138 VanDerWaalsContact O-N 3.11Å; Y135-S138 PolarHBondContact O-OG 3.45Å; V136-S138 VanDerWaalsContact C-N 3.28Å; V136-S138 PolarHBondContact O-N 3.13Å; S138-F141 PolarHBondContact O-N 3.02Å; S138-R142 WeakPolarHBondContact O-CB 2.97Å; S138-R142 WeakPolarHBondContact O-CD 3.39Å; S138-R142 VanDerWaalsContact O-CG 3.28Å; S138-R142 WeakPolarHBondContact O-CG 3.25Å; S138-R142 PolarHBondContact O-N 2.89Å
139V92.9Very high91.6Very high0 Ų048.9 Ų48.90%027%0.268CS..Hα-helixtrans-69.3-39.6179.3179.20000110.2Y135 V136 I137 R142 L143 E208 V209 L212Y135-V139 HydrophobicContact CD1-CG2 4.23Å; Y135-V139 HydrophobicContact CE1-CG2 3.87Å; Y135-V139 WeakPolarHBondContact O-CG2 3.39Å; Y135-V139 PolarHBondContact O-N 2.89Å; V136-V139 PolarHBondContact O-N 3.2Å; I137-V139 VanDerWaalsContact C-N 3.34Å; I137-V139 PolarHBondContact O-N 3.29Å; V139-R142 WeakPolarHBondContact O-CB 3.39Å; V139-R142 PolarHBondContact O-N 3.06Å; V139-L143 PolarHBondContact O-N 3.44Å; V139-E208 HydrophobicContact CG1-CB 4.12Å; V139-E208 HydrophobicContact CG1-CG 3.98Å; V139-E208 HydrophobicContact CG2-CG 3.99Å; V139-V209 HydrophobicContact CB-CG2 4.45Å; V139-V209 HydrophobicContact CG1-CG2 3.56Å; V139-L212 HydrophobicContact CG2-CD1 4.48Å
140V94.6Very high92.3Very high74 Ų7448.1 Ų48.145%0.44825%0.25SS..Hα-helixtrans-62.5-46.5175.21730000111V136 I137 R142 L143 L144V136-V140 WeakPolarHBondContact O-CG2 3.19Å; V136-V140 PolarHBondContact O-N 3.06Å; I137-V140 PolarHBondContact O-N 3.31Å; V140-R142 VanDerWaalsContact C-N 3.33Å; V140-R142 PolarHBondContact O-N 3.4Å; V140-L143 PolarHBondContact O-N 3.37Å; V140-L144 WeakPolarHBondContact O-CB 3.09Å; V140-L144 PolarHBondContact O-N 3.15Å
141F96.3Very high93Very high99 Ų9950.1 Ų50.143%0.43425%0.248SC..Hα-helixtrans-61.9-40.2175.8-85-67.7000112.5P87 I137 S138 L144 F145P87-F141 HydrophobicContact CB-CB 4.46Å; P87-F141 HydrophobicContact CG-CB 3.96Å; I137-F141 HydrophobicContact CG2-CD2 3.51Å; I137-F141 HydrophobicContact CG2-CE2 3.43Å; I137-F141 VanDerWaalsContact CG2-CE2 3.43Å; I137-F141 VanDerWaalsContact O-CD2 3.26Å; I137-F141 WeakPolarHBondContact O-CD2 3.45Å; I137-F141 PolarHBondContact O-N 3.38Å; S138-F141 PolarHBondContact O-N 3.02Å; F141-L144 PolarHBondContact O-N 2.91Å; F141-F145 HydrophobicContact CB-CE2 4.15Å; F141-F145 HydrophobicContact CD1-CE2 4.37Å; F141-F145 HydrophobicContact CD1-CZ 4.05Å; F141-F145 WeakPolarHBondContact O-CB 3.49Å; F141-F145 WeakPolarHBondContact O-CD2 3.28Å; F141-F145 VanDerWaalsContact O-CG 3.28Å; F141-F145 WeakPolarHBondContact O-CG 3.34Å; F141-F145 PolarHBondContact O-N 2.97Å
142R95.4Very high93.6Very high9 Ų952 Ų523%0.03426%0.26CS..Hα-helixtrans-59.3-47.5174-78.1163.945.5159.9-5.8111.8W24 V84 P87 S138 V139 V140 L144 F145 E146 N205W24-R142 VanDerWaalsContact CE3-CZ 3.41Å; W24-R142 VanDerWaalsContact CE3-NH1 3.3Å; W24-R142 VanDerWaalsContact CE3-NH2 3.26Å; W24-R142 HydrophobicContact CH2-CG 4.41Å; W24-R142 HydrophobicContact CZ2-CG 4.23Å; W24-R142 VanDerWaalsContact CZ3-CZ 3.41Å; V84-R142 WeakPolarHBondContact O-CG 3.38Å; P87-R142 HydrophobicContact CB-CG 4.1Å; P87-R142 HydrophobicContact CG-CG 4.2Å; S138-R142 WeakPolarHBondContact O-CB 2.97Å; S138-R142 WeakPolarHBondContact O-CD 3.39Å; S138-R142 VanDerWaalsContact O-CG 3.28Å; S138-R142 WeakPolarHBondContact O-CG 3.25Å; S138-R142 PolarHBondContact O-N 2.89Å; V139-R142 WeakPolarHBondContact O-CB 3.39Å; V139-R142 PolarHBondContact O-N 3.06Å; V140-R142 VanDerWaalsContact C-N 3.33Å; V140-R142 PolarHBondContact O-N 3.4Å; R142-L144 VanDerWaalsContact C-N 3.34Å; R142-L144 PolarHBondContact O-N 3.26Å; R142-F145 PolarHBondContact O-N 3.37Å; R142-E146 WeakPolarHBondContact O-CB 3.44Å; R142-E146 WeakPolarHBondContact O-CG 3.48Å; R142-E146 PolarHBondContact O-N 3.27Å; R142-N205 PolarHBondContact NE-OD1 3.11Å; R142-N205 PolarHBondContact NH2-OD1 3Å
143L95.8Very high94Very high44 Ų4450.7 Ų50.723%0.2326%0.255CS..Hα-helixtrans-60.8-43.9176.9179.760.8000111.6V139 V140 E146 A147 I202 N205 V206V139-L143 PolarHBondContact O-N 3.44Å; V140-L143 PolarHBondContact O-N 3.37Å; L143-E146 PolarHBondContact O-N 3.16Å; L143-A147 WeakPolarHBondContact O-CB 3.01Å; L143-A147 PolarHBondContact O-N 2.95Å; L143-I202 HydrophobicContact CD1-CG2 3.93Å; L143-N205 HydrophobicContact CB-CB 4.2Å; L143-N205 HydrophobicContact CD1-CB 4.2Å; L143-V206 HydrophobicContact CD1-CG2 3.79Å; L143-V206 HydrophobicContact CD2-CG2 4.04Å
144L97Very high94.3Very high88 Ų8849.2 Ų49.246%0.46125%0.25SC..Hα-helixtrans-63-48.1178.6-178141.4000111.6V140 F141 R142 E146 A147 V148V140-L144 WeakPolarHBondContact O-CB 3.09Å; V140-L144 PolarHBondContact O-N 3.15Å; F141-L144 PolarHBondContact O-N 2.91Å; R142-L144 VanDerWaalsContact C-N 3.34Å; R142-L144 PolarHBondContact O-N 3.26Å; L144-E146 PolarHBondContact O-N 3.03Å; L144-A147 PolarHBondContact O-N 2.68Å; L144-V148 HydrophobicContact CD2-CG2 4.14Å; L144-V148 HydrophobicContact CG-CG2 4.25Å; L144-V148 WeakPolarHBondContact O-CB 3.39Å; L144-V148 WeakPolarHBondContact O-CG2 3.35Å; L144-V148 PolarHBondContact O-N 2.96Å
145F97.2Very high94.5Very high46 Ų4652.1 Ų52.120%0.20226%0.263CS..Hα-helixtrans-62.1-45177.6-65.3-36.9000111.5L83 V84 P87 F141 R142 A147 V148 F149L83-F145 HydrophobicContact CB-CD2 4.2Å; L83-F145 HydrophobicContact CB-CG 4.31Å; L83-F145 VanDerWaalsContact O-CD2 3.27Å; L83-F145 WeakPolarHBondContact O-CD2 3.48Å; V84-F145 HydrophobicContact CG2-CB 3.82Å; P87-F145 HydrophobicContact CG-CD2 4.3Å; P87-F145 HydrophobicContact CG-CE2 3.97Å; F141-F145 HydrophobicContact CB-CE2 4.15Å; F141-F145 HydrophobicContact CD1-CE2 4.37Å; F141-F145 HydrophobicContact CD1-CZ 4.05Å; F141-F145 WeakPolarHBondContact O-CB 3.49Å; F141-F145 WeakPolarHBondContact O-CD2 3.28Å; F141-F145 VanDerWaalsContact O-CG 3.28Å; F141-F145 WeakPolarHBondContact O-CG 3.34Å; F141-F145 PolarHBondContact O-N 2.97Å; R142-F145 PolarHBondContact O-N 3.37Å; F145-A147 VanDerWaalsContact C-N 3.35Å; F145-A147 PolarHBondContact O-N 3.11Å; F145-V148 PolarHBondContact O-N 2.91Å; F145-F149 WeakPolarHBondContact O-CB 3.43Å; F145-F149 VanDerWaalsContact O-CD2 3.28Å; F145-F149 WeakPolarHBondContact O-CD2 3.34Å; F145-F149 PolarHBondContact O-N 3.4Å
146E95.8Very high94.6Very high0 Ų054.7 Ų54.70%028%0.277CS..Hα-helixtrans-57.1-46.9175.5-69.9-75.6-164.600112.6R32 Q80 V84 R142 L143 L144 M150 S198 C201 I202R32-E146 IonicContact CZ-OE1 2.72Å; R32-E146 VanDerWaalsContact CZ-OE1 3.26Å; R32-E146 IonicContact CZ-OE2 3.26Å; R32-E146 IonicContact NH1-OE1 3.87Å; R32-E146 PolarHBondContact NH1-OE1 3.15Å; R32-E146 IonicContact NH1-OE2 2.65Å; R32-E146 PolarHBondContact NH1-OE2 2.88Å; R32-E146 VanDerWaalsContact NH2-CD 3.3Å; R32-E146 IonicContact NH2-OE1 3.35Å; R32-E146 PolarHBondContact NH2-OE1 2.65Å; R32-E146 VanDerWaalsContact NH2-OE1 3.15Å; R32-E146 IonicContact NH2-OE2 3.15Å; R32-E146 PolarHBondContact NH2-OE2 3.5Å; Q80-E146 PolarHBondContact NE2-OE2 3.2Å; V84-E146 HydrophobicContact CG1-CG 4.3Å; V84-E146 WeakPolarHBondContact CG1-OE1 3.48Å; V84-E146 HydrophobicContact CG2-CG 3.9Å; R142-E146 WeakPolarHBondContact O-CB 3.44Å; R142-E146 WeakPolarHBondContact O-CG 3.48Å; R142-E146 PolarHBondContact O-N 3.27Å; L143-E146 PolarHBondContact O-N 3.16Å; L144-E146 PolarHBondContact O-N 3.03Å; E146-M150 VanDerWaalsContact O-CB 3.27Å; E146-M150 WeakPolarHBondContact O-CB 3.36Å; E146-M150 PolarHBondContact O-N 2.94Å; E146-S198 PolarHBondContact OE2-OG 3.24Å; E146-S198 VanDerWaalsContact OE2-OG 3.13Å; E146-C201 WeakPolarHBondContact OE1-CB 3.38Å; E146-I202 HydrophobicContact CB-CD1 4.27Å; E146-I202 HydrophobicContact CB-CG1 3.65Å; E146-I202 HydrophobicContact CG-CG1 4.49Å
147A96.4Very high94.6Very high47 Ų4754.2 Ų54.239%0.38827%0.272SS..Hα-helixtrans-67.7-42.1-179.400000112.3L143 L144 F145 M150 Y151L143-A147 WeakPolarHBondContact O-CB 3.01Å; L143-A147 PolarHBondContact O-N 2.95Å; L144-A147 PolarHBondContact O-N 2.68Å; F145-A147 VanDerWaalsContact C-N 3.35Å; F145-A147 PolarHBondContact O-N 3.11Å; A147-M150 PolarHBondContact O-N 2.95Å; A147-Y151 WeakPolarHBondContact O-CB 3.17Å; A147-Y151 PolarHBondContact O-N 3.44Å
148V97.2Very high94.3Very high71 Ų7154.9 Ų54.943%0.4328%0.282SS..Hα-helixtrans-65.2-47.2178.9169.80000110.9L144 F145 M150 Y151 V152L144-V148 HydrophobicContact CD2-CG2 4.14Å; L144-V148 HydrophobicContact CG-CG2 4.25Å; L144-V148 WeakPolarHBondContact O-CB 3.39Å; L144-V148 WeakPolarHBondContact O-CG2 3.35Å; L144-V148 PolarHBondContact O-N 2.96Å; F145-V148 PolarHBondContact O-N 2.91Å; V148-M150 VanDerWaalsContact C-N 3.35Å; V148-M150 PolarHBondContact O-N 3.33Å; V148-Y151 PolarHBondContact O-N 3.28Å; V148-V152 HydrophobicContact CG1-CG2 4.35Å; V148-V152 WeakPolarHBondContact O-CB 3.12Å; V148-V152 VanDerWaalsContact O-CG2 3.31Å; V148-V152 WeakPolarHBondContact O-CG2 3.06Å; V148-V152 PolarHBondContact O-N 3.02Å
149F96.4Very high93.7Very high26 Ų2657.3 Ų57.311%0.11431%0.308CS..Hα-helixtrans-64.6-39.4177.6-87-86.6000112.1L76 L79 Q80 L83 F145 Y151 V152 F153L76-F149 HydrophobicContact CD1-CD1 3.71Å; L76-F149 HydrophobicContact CD1-CE1 3.73Å; L76-F149 HydrophobicContact CG-CD1 4.17Å; L79-F149 HydrophobicContact CB-CE1 3.84Å; L79-F149 HydrophobicContact CB-CZ 3.99Å; Q80-F149 HydrophobicContact CB-CB 4.06Å; Q80-F149 HydrophobicContact CB-CD1 3.65Å; Q80-F149 HydrophobicContact CB-CD2 4.17Å; Q80-F149 HydrophobicContact CB-CE1 4.13Å; Q80-F149 HydrophobicContact CB-CG 3.68Å; Q80-F149 HydrophobicContact CG-CB 3.74Å; Q80-F149 HydrophobicContact CG-CD1 4.29Å; Q80-F149 HydrophobicContact CG-CD2 4.22Å; Q80-F149 HydrophobicContact CG-CG 3.82Å; L83-F149 HydrophobicContact CB-CE2 4.31Å; L83-F149 HydrophobicContact CD1-CE2 3.5Å; L83-F149 HydrophobicContact CD1-CZ 3.59Å; F145-F149 WeakPolarHBondContact O-CB 3.43Å; F145-F149 VanDerWaalsContact O-CD2 3.28Å; F145-F149 WeakPolarHBondContact O-CD2 3.34Å; F145-F149 PolarHBondContact O-N 3.4Å; F149-Y151 VanDerWaalsContact C-N 3.33Å; F149-Y151 PolarHBondContact O-N 3.19Å; F149-V152 PolarHBondContact O-N 3.47Å; F149-F153 VanDerWaalsContact O-CB 3.29Å; F149-F153 WeakPolarHBondContact O-CB 3.38Å; F149-F153 PolarHBondContact O-N 2.97Å
150M94Very high93Very high39 Ų3962.4 Ų62.419%0.19233%0.328CS..Hα-helixtrans-60-44173.3-174.2728500111.5E146 A147 V148 F153 Y154 L195 S198 I202E146-M150 VanDerWaalsContact O-CB 3.27Å; E146-M150 WeakPolarHBondContact O-CB 3.36Å; E146-M150 PolarHBondContact O-N 2.94Å; A147-M150 PolarHBondContact O-N 2.95Å; V148-M150 VanDerWaalsContact C-N 3.35Å; V148-M150 PolarHBondContact O-N 3.33Å; M150-F153 PolarHBondContact O-N 2.97Å; M150-Y154 PolarHBondContact O-N 3.25Å; M150-L195 HydrophobicContact CE-CG 4.3Å; M150-L195 HydrophobicContact SD-CD1 3.93Å; M150-L195 HydrophobicContact SD-CD2 4.39Å; M150-L195 HydrophobicContact SD-CG 3.71Å; M150-S198 VanDerWaalsContact CE-CB 3.47Å; M150-S198 WeakPolarHBondContact CE-OG 3.35Å; M150-I202 HydrophobicContact CE-CD1 4.22Å
151Y95Very high92.7Very high143 Ų14361.6 Ų61.656%0.56133%0.329SS*.Hα-helixtrans-66.4-45.6178.9-177.3-109.4000112.1A147 V148 F149 F153 Y154 L155A147-Y151 WeakPolarHBondContact O-CB 3.17Å; A147-Y151 PolarHBondContact O-N 3.44Å; V148-Y151 PolarHBondContact O-N 3.28Å; F149-Y151 VanDerWaalsContact C-N 3.33Å; F149-Y151 PolarHBondContact O-N 3.19Å; Y151-F153 VanDerWaalsContact C-N 3.3Å; Y151-F153 PolarHBondContact O-N 3.2Å; Y151-Y154 WeakPolarHBondContact O-CB 3.28Å; Y151-Y154 PolarHBondContact O-N 3.44Å; Y151-L155 HydrophobicContact CD1-CD1 3.93Å; Y151-L155 HydrophobicContact CD1-CG 4.48Å; Y151-L155 HydrophobicContact CE1-CD1 3.42Å; Y151-L155 VanDerWaalsContact CE1-CD1 3.42Å; Y151-L155 HydrophobicContact CE1-CG 4.14Å; Y151-L155 HydrophobicContact CE2-CG 4.45Å; Y151-L155 WeakPolarHBondContact O-CG 3.49Å; Y151-L155 PolarHBondContact O-N 2.96Å
152V94.8Very high92.2Very high50 Ų5057.9 Ų57.930%0.30331%0.314SS..Hα-helixtrans-59.3-42.4174.2170.10000110.9L76 V148 F149 Y154 L155 L156L76-V152 HydrophobicContact CD1-CG1 4.32Å; L76-V152 HydrophobicContact CD2-CG1 4.49Å; V148-V152 HydrophobicContact CG1-CG2 4.35Å; V148-V152 WeakPolarHBondContact O-CB 3.12Å; V148-V152 VanDerWaalsContact O-CG2 3.31Å; V148-V152 WeakPolarHBondContact O-CG2 3.06Å; V148-V152 PolarHBondContact O-N 3.02Å; F149-V152 PolarHBondContact O-N 3.47Å; V152-Y154 PolarHBondContact O-N 3.23Å; V152-L155 PolarHBondContact O-N 2.95Å; V152-L156 HydrophobicContact CG1-CD1 3.79Å; V152-L156 HydrophobicContact CG1-CG 4.34Å; V152-L156 WeakPolarHBondContact O-CG 3.3Å; V152-L156 PolarHBondContact O-N 3.48Å
153F94.1Very high91.9Very high6 Ų661.7 Ų61.73%0.02634%0.338CS..Hα-helixtrans-60.2-45.2176.6-170.5-82.3000111.6H73 L76 W77 F149 M150 Y151 L155 L156 Y157 T191 L195H73-F153 AromaticContact CD2-CE2 3.51Å; H73-F153 AromaticContact CD2-CZ 3.46Å; H73-F153 VanDerWaalsContact CD2-CZ 3.46Å; H73-F153 WeakPolarHBondContact CD2-CZ 3.34Å; H73-F153 AromaticContact NE2-CE2 3.93Å; H73-F153 AromaticContact NE2-CZ 3.57Å; L76-F153 HydrophobicContact CD2-CB 4.22Å; L76-F153 HydrophobicContact CD2-CD2 3.79Å; L76-F153 HydrophobicContact CD2-CG 4.48Å; W77-F153 HydrophobicContact CZ2-CE2 4.18Å; W77-F153 HydrophobicContact CZ2-CZ 4.5Å; W77-F153 AromaticContact NE1-CD2 3.92Å; W77-F153 AromaticContact NE1-CE2 3.66Å; F149-F153 VanDerWaalsContact O-CB 3.29Å; F149-F153 WeakPolarHBondContact O-CB 3.38Å; F149-F153 PolarHBondContact O-N 2.97Å; M150-F153 PolarHBondContact O-N 2.97Å; Y151-F153 VanDerWaalsContact C-N 3.3Å; Y151-F153 PolarHBondContact O-N 3.2Å; F153-L155 VanDerWaalsContact C-N 3.34Å; F153-L155 PolarHBondContact O-N 3.26Å; F153-L156 PolarHBondContact O-N 3.31Å; F153-Y157 HydrophobicContact CD2-CD2 4.07Å; F153-Y157 HydrophobicContact CE1-CD2 4.39Å; F153-Y157 AromaticContact CE2-CD2 3.82Å; F153-Y157 HydrophobicContact CE2-CD2 3.82Å; F153-Y157 HydrophobicContact CE2-CE2 4.41Å; F153-Y157 HydrophobicContact CG-CD2 4.42Å; F153-Y157 AromaticContact CZ-CD2 3.97Å; F153-Y157 HydrophobicContact CZ-CD2 3.97Å; F153-Y157 HydrophobicContact CZ-CG 4.46Å; F153-Y157 PolarHBondContact O-N 2.95Å; F153-T191 HydrophobicContact CE1-CG2 3.72Å; F153-T191 HydrophobicContact CE2-CG2 4.49Å; F153-T191 HydrophobicContact CZ-CG2 3.41Å; F153-T191 VanDerWaalsContact CZ-CG2 3.41Å; F153-L195 HydrophobicContact CD1-CD1 3.7Å; F153-L195 HydrophobicContact CE1-CD1 3.82Å; F153-L195 HydrophobicContact CG-CD1 4.21Å; F153-L195 HydrophobicContact CZ-CD1 4.42Å
154Y92.3Very high91.7Very high118 Ų11868.9 Ų68.946%0.46336%0.362SS..Hα-helixtrans-62-39.5177.2174.9-100.7000112.8M150 Y151 V152 Y160M150-Y154 PolarHBondContact O-N 3.25Å; Y151-Y154 WeakPolarHBondContact O-CB 3.28Å; Y151-Y154 PolarHBondContact O-N 3.44Å; V152-Y154 PolarHBondContact O-N 3.23Å; Y154-Y160 HydrophobicContact CD2-CE1 4.04Å; Y154-Y160 HydrophobicContact CD2-CE2 4.34Å; Y154-Y160 AromaticContact CD2-CZ 3.67Å; Y154-Y160 VanDerWaalsContact CD2-OH 3.32Å; Y154-Y160 WeakPolarHBondContact CD2-OH 3.48Å; Y154-Y160 HydrophobicContact CE2-CE2 4.44Å
155L93.3Very high91.6Very high101 Ų10167.9 Ų67.953%0.52936%0.356SS..Hα-helixtrans-69.2-40.2177.9-70.1-179.7000112.8Y151 V152 F153Y151-L155 HydrophobicContact CD1-CD1 3.93Å; Y151-L155 HydrophobicContact CD1-CG 4.48Å; Y151-L155 HydrophobicContact CE1-CD1 3.42Å; Y151-L155 VanDerWaalsContact CE1-CD1 3.42Å; Y151-L155 HydrophobicContact CE1-CG 4.14Å; Y151-L155 HydrophobicContact CE2-CG 4.45Å; Y151-L155 WeakPolarHBondContact O-CG 3.49Å; Y151-L155 PolarHBondContact O-N 2.96Å; V152-L155 PolarHBondContact O-N 2.95Å; F153-L155 VanDerWaalsContact C-N 3.34Å; F153-L155 PolarHBondContact O-N 3.26Å
156L92.4Very high91.4Very high65 Ų6566.2 Ų66.234%0.3435%0.35SS..Hα-helixtrans-76.2-35.3-179.9-69.6174.7000112.5P70 L76 V152 F153 P158P70-L156 HydrophobicContact CG-CD2 4.32Å; L76-L156 HydrophobicContact CD2-CD1 4.3Å; V152-L156 HydrophobicContact CG1-CD1 3.79Å; V152-L156 HydrophobicContact CG1-CG 4.34Å; V152-L156 WeakPolarHBondContact O-CG 3.3Å; V152-L156 PolarHBondContact O-N 3.48Å; F153-L156 PolarHBondContact O-N 3.31Å; L156-P158 WeakPolarHBondContact O-CD 3.18Å
157Y90.5Very high91.4Very high22 Ų2272.9 Ų72.99%0.08638%0.379CS..SBendtrans-128.270.9-172-56.9-60.2000111.6F69 I71 H73 F153 G159F69-Y157 HydrophobicContact CD1-CE1 4.14Å; I71-Y157 PolarHBondContact O-OH 3.06Å; H73-Y157 AromaticContact CE1-CD1 3.45Å; H73-Y157 VanDerWaalsContact CE1-CD1 3.45Å; H73-Y157 WeakPolarHBondContact CE1-CD1 3.38Å; H73-Y157 AromaticContact CE1-CD2 3.46Å; H73-Y157 VanDerWaalsContact CE1-CD2 3.46Å; H73-Y157 WeakPolarHBondContact CE1-CD2 3.43Å; H73-Y157 AromaticContact CE1-CE1 3.41Å; H73-Y157 VanDerWaalsContact CE1-CE1 3.41Å; H73-Y157 WeakPolarHBondContact CE1-CE1 3.4Å; H73-Y157 AromaticContact CE1-CE2 3.4Å; H73-Y157 VanDerWaalsContact CE1-CE2 3.4Å; H73-Y157 WeakPolarHBondContact CE1-CE2 3.34Å; H73-Y157 AromaticContact CE1-CG 3.48Å; H73-Y157 VanDerWaalsContact CE1-CG 3.48Å; H73-Y157 AromaticContact CE1-CZ 3.38Å; H73-Y157 AromaticContact ND1-CE1 3.99Å; H73-Y157 AromaticContact ND1-CE2 3.54Å; H73-Y157 AromaticContact ND1-CZ 3.54Å; H73-Y157 AromaticContact NE2-CD2 3.81Å; H73-Y157 AromaticContact NE2-CG 3.79Å; F153-Y157 HydrophobicContact CD2-CD2 4.07Å; F153-Y157 HydrophobicContact CE1-CD2 4.39Å; F153-Y157 AromaticContact CE2-CD2 3.82Å; F153-Y157 HydrophobicContact CE2-CD2 3.82Å; F153-Y157 HydrophobicContact CE2-CE2 4.41Å; F153-Y157 HydrophobicContact CG-CD2 4.42Å; F153-Y157 AromaticContact CZ-CD2 3.97Å; F153-Y157 HydrophobicContact CZ-CD2 3.97Å; F153-Y157 HydrophobicContact CZ-CG 4.46Å; F153-Y157 PolarHBondContact O-N 2.95Å; Y157-G159 PolarHBondContact O-N 2.87Å
158P86.1Confident91.4Very high98 Ų9870.6 Ų70.664%0.63636%0.36SS*.THydrogen-bonded Turntrans-62.8136178.526.4-33.9000110.8L156L156-P158 WeakPolarHBondContact O-CD 3.18Å
159G80.6Confident91.4Very high58 Ų5872.9 Ų72.960%0.59837%0.37SS*.THydrogen-bonded Turntrans101.1-1.4174.500000115.9Y157 A161Y157-G159 PolarHBondContact O-N 2.87Å; G159-A161 PolarHBondContact O-N 3.33Å
160Y78.4Confident91.3Very high106 Ų10673.6 Ų73.642%0.41638%0.376SS..SBendtrans53.812.9176.5-55.5-62.9000115.5Y154 L195Y154-Y160 HydrophobicContact CD2-CE1 4.04Å; Y154-Y160 HydrophobicContact CD2-CE2 4.34Å; Y154-Y160 AromaticContact CD2-CZ 3.67Å; Y154-Y160 VanDerWaalsContact CD2-OH 3.32Å; Y154-Y160 WeakPolarHBondContact CD2-OH 3.48Å; Y154-Y160 HydrophobicContact CE2-CE2 4.44Å; Y160-L195 HydrophobicContact CD1-CD2 3.11Å; Y160-L195 HydrophobicContact CE1-CD2 3.31Å; Y160-L195 HydrophobicContact CG-CD2 4.08Å
161A87.2Confident91.4Very high57 Ų5781.5 Ų81.547%0.47141%0.406SS..SBendtrans-139.4139.1-176.800000109.2G159 V163 T188G159-A161 PolarHBondContact O-N 3.33Å; A161-V163 PolarHBondContact O-N 3.2Å; A161-T188 HydrophobicContact CB-CG2 3.88Å
162M86.6Confident91.4Very high22 Ų2276.1 Ų76.111%0.10839%0.388CS..  trans-76.8121.2173.1-71.6-67.4-145.900109.4F69 H73 P184 K187 T188F69-M162 HydrophobicContact CD1-CE 4.36Å; F69-M162 HydrophobicContact CE1-CE 3.67Å; F69-M162 HydrophobicContact CE1-SD 3.79Å; F69-M162 HydrophobicContact CZ-SD 4.38Å; H73-M162 WeakPolarHBondContact CE1-CE 3.16Å; H73-M162 VanDerWaalsContact NE2-CE 3.27Å; H73-M162 WeakPolarHBondContact NE2-CE 3.27Å; M162-P184 HydrophobicContact CB-CB 4.03Å; M162-K187 HydrophobicContact CB-CB 4.44Å; M162-K187 HydrophobicContact CE-CB 4.31Å; M162-K187 HydrophobicContact CE-CD 4.05Å; M162-K187 HydrophobicContact CG-CB 3.75Å; M162-T188 PolarHBondContact N-OG1 2.98Å
163V89.7Confident91.4Very high89 Ų8974.5 Ų74.554%0.53938%0.379SS..  trans-68.4144.7171.1-66.70000110.4A161 V166A161-V163 PolarHBondContact O-N 3.2Å; V163-V166 HydrophobicContact CG2-CG1 3.5Å; V163-V166 VanDerWaalsContact CG2-CG1 3.5Å
164R91.7Very high91.4Very high195 Ų19577.1 Ų77.174%0.73640%0.397SS*.SBendtrans-74.6-31.3179.3-64.2-175.3-86.4-170.3-5.2112.4V181 P184R164-V181 PolarHBondContact O-N 2.89Å; R164-P184 HydrophobicContact CB-CG 4.23Å; R164-P184 HydrophobicContact CG-CB 4.17Å; R164-P184 HydrophobicContact CG-CG 3.61Å
165L93.3Very high91.5Very high66 Ų6678.5 Ų78.535%0.34641%0.412SS..EExtended strand (participates in β ladder)trans-130.7133.7-174.5-177.282.6000108.8D178 C179 F180L165-D178 HydrophobicContact CD1-CB 3.85Å; L165-C179 CarbonylContact C-O 3.45Å; L165-C179 WeakPolarHBondContact CA-O 3.5Å; L165-F180 HydrophobicContact CD1-CD1 3.82Å; L165-F180 HydrophobicContact CD1-CE1 3.48Å; L165-F180 VanDerWaalsContact CD1-CE1 3.48Å; L165-F180 HydrophobicContact CD1-CE2 4.24Å; L165-F180 HydrophobicContact CD1-CG 4.35Å; L165-F180 HydrophobicContact CD1-CZ 3.7Å
166V93.8Very high91.7Very high11 Ų1177.8 Ų77.87%0.06741%0.412CS..EExtended strand (participates in β ladder)trans-121.4141168.5-62.10000109.2F51 F68 V163 C179 V181F51-V166 HydrophobicContact CE2-CG2 4.05Å; F51-V166 HydrophobicContact CZ-CG2 3.99Å; F68-V166 HydrophobicContact CD1-CB 3.89Å; F68-V166 HydrophobicContact CD1-CG1 3.82Å; F68-V166 HydrophobicContact CD1-CG2 4.34Å; F68-V166 HydrophobicContact CD2-CB 3.9Å; F68-V166 HydrophobicContact CD2-CG1 4.49Å; F68-V166 HydrophobicContact CD2-CG2 3.53Å; F68-V166 HydrophobicContact CE1-CB 3.79Å; F68-V166 HydrophobicContact CE1-CG1 4.07Å; F68-V166 HydrophobicContact CE1-CG2 4.49Å; F68-V166 HydrophobicContact CE2-CB 3.81Å; F68-V166 HydrophobicContact CE2-CG2 3.73Å; F68-V166 HydrophobicContact CG-CB 3.97Å; F68-V166 HydrophobicContact CG-CG1 4.07Å; F68-V166 HydrophobicContact CG-CG2 3.89Å; F68-V166 HydrophobicContact CZ-CB 3.77Å; F68-V166 HydrophobicContact CZ-CG2 4.23Å; V163-V166 HydrophobicContact CG2-CG1 3.5Å; V163-V166 VanDerWaalsContact CG2-CG1 3.5Å; V166-C179 HydrophobicContact CG2-CB 3.72Å; V166-C179 PolarHBondContact N-O 3.4Å; V166-C179 PolarHBondContact O-N 3.39Å; V166-V181 HydrophobicContact CG1-CG2 4.37Å
167K95.9Very high91.9Very high140 Ų14075.1 Ų75.161%0.60940%0.398SS*.EExtended strand (participates in β ladder)trans-100.6116.4179-77.2-177175.6177.60109.1F68 T176F68-K167 VanDerWaalsContact CZ-O 3.29Å; F68-K167 WeakPolarHBondContact CZ-O 3.34Å; K167-T176 HydrophobicContact CB-CG2 3.73Å; K167-T176 HydrophobicContact CD-CG2 4.47Å; K167-T176 HydrophobicContact CG-CG2 4.29Å
168C96.7Very high92.2Very high0 Ų077 Ų770%041%0.41CS..EExtended strand (participates in β ladder)trans-113128.6-172.5-175.80000111.3C64 F68 T176 V177C64-C168 WeakPolarHBondContact CA-SG 3.28Å; C64-C168 HydrophobicContact CB-CB 3.74Å; C64-C168 WeakPolarHBondContact CB-SG 3.26Å; C64-C168 WeakPolarHBondContact SG-CB 3.2Å; C64-C168 CovalentContact SG-SG 2.03Å; C64-C168 PolarHBondContact SG-SG 2.99Å; F68-C168 HydrophobicContact CE2-CB 3.89Å; C168-T176 CarbonylContact O-C 3.55Å; C168-T176 WeakPolarHBondContact O-CA 3.3Å; C168-V177 HydrophobicContact CB-CG2 4Å; C168-V177 PolarHBondContact N-O 3.39Å; C168-V177 PolarHBondContact O-N 2.94Å
169D96.1Very high92.7Very high118 Ų11872.3 Ų72.363%0.63138%0.379SS*.  trans-121.919.1179.563.3-21000112.9
170V95.7Very high93.4Very high41 Ų4174.5 Ų74.525%0.24837%0.373CS..  trans-81.2139.6-176-177.10000111.3V63 Q67 C173V63-V170 HydrophobicContact CB-CG1 4.26Å; V63-V170 HydrophobicContact CG2-CB 4.43Å; V63-V170 HydrophobicContact CG2-CG1 4.25Å; Q67-V170 HydrophobicContact CB-CG2 4.16Å; Q67-V170 HydrophobicContact CG-CG2 3.84Å; V170-C173 WeakPolarHBondContact O-CB 3.18Å; V170-C173 PolarHBondContact O-N 2.77Å; V170-C173 PolarHBondContact O-SG 3.28Å
171Y94.9Very high94.1Very high206 Ų20670 Ų7081%0.80836%0.356SS*.THydrogen-bonded Turntrans-58.7131.3172.3179.9-92.5000111.1
172P95.5Very high94.4Very high30 Ų3067.9 Ų67.920%0.19534%0.338CS..THydrogen-bonded Turncis-98.419.617.738.6-37000115.5Q57Q57-P172 VanDerWaalsContact CG-O 3.26Å; Q57-P172 WeakPolarHBondContact CG-O 3.15Å
173C95.3Very high94.7Very high16 Ų1672.4 Ų72.411%0.10835%0.353CS..SBendtrans-65.9138.2-174.9-57.20000112.9C60 C64 V170 N175 V177C60-C173 VanDerWaalsContact CA-SG 3.52Å; C60-C173 HydrophobicContact CB-CB 4.12Å; C60-C173 WeakPolarHBondContact CB-SG 3.4Å; C60-C173 WeakPolarHBondContact SG-CB 3.38Å; C60-C173 CovalentContact SG-SG 2.03Å; C60-C173 PolarHBondContact SG-SG 2.79Å; C64-C173 PolarHBondContact SG-SG 3.25Å; V170-C173 WeakPolarHBondContact O-CB 3.18Å; V170-C173 PolarHBondContact O-N 2.77Å; V170-C173 PolarHBondContact O-SG 3.28Å; C173-N175 PolarHBondContact O-N 2.95Å; C173-V177 HydrophobicContact CB-CG1 4.31Å; C173-V177 HydrophobicContact CB-CG2 4.18Å
174P94.1Very high94.9Very high61 Ų6169 Ų6940%0.39633%0.334SS..SBendtrans-76.3110.6175.130.1-32.4000109.8Q57 V177Q57-P174 HydrophobicContact CB-CG 4.3Å; P174-V177 HydrophobicContact CG-CG1 4.29Å
175N94Very high95Very high147 Ų14764.6 Ų64.679%0.78633%0.328SS*.SBendtrans54.9-147.9-175.7-51.3-64.3000111.7C173C173-N175 PolarHBondContact O-N 2.95Å
176T96.4Very high95Very high85 Ų8564.4 Ų64.452%0.52133%0.326SS..SBendtrans-88.5118.5173.2-49.70000110.1K167 C168K167-T176 HydrophobicContact CB-CG2 3.73Å; K167-T176 HydrophobicContact CD-CG2 4.47Å; K167-T176 HydrophobicContact CG-CG2 4.29Å; C168-T176 CarbonylContact O-C 3.55Å; C168-T176 WeakPolarHBondContact O-CA 3.3Å
177V96.6Very high95Very high9 Ų964.1 Ų64.16%0.05532%0.323CS..EExtended strand (participates in β ladder)trans-103.4150.2175.2-58.20000111.3C53 C168 C173 P174C53-V177 HydrophobicContact CB-CG2 4.24Å; C168-V177 HydrophobicContact CB-CG2 4Å; C168-V177 PolarHBondContact N-O 3.39Å; C168-V177 PolarHBondContact O-N 2.94Å; C173-V177 HydrophobicContact CB-CG1 4.31Å; C173-V177 HydrophobicContact CB-CG2 4.18Å; P174-V177 HydrophobicContact CG-CG1 4.29Å
178D97.2Very high94.8Very high61 Ų6158.8 Ų58.833%0.32630%0.303SS..EExtended strand (participates in β ladder)trans-89.8120.7176.6-83.3-14.5000110C53 N54 L165C53-D178 CarbonylContact C-O 3.57Å; C53-D178 WeakPolarHBondContact CA-O 3.24Å; N54-D178 PolarHBondContact N-O 2.92Å; L165-D178 HydrophobicContact CD1-CB 3.85Å
179C96.8Very high94.6Very high0 Ų062.6 Ų62.60%033%0.326CS..EExtended strand (participates in β ladder)trans-116.5138177.4-55.20000112F51 I52 C53 L165 V166F51-C179 HydrophobicContact CE1-CB 3.92Å; F51-C179 HydrophobicContact CE2-CB 4.01Å; F51-C179 HydrophobicContact CZ-CB 3.42Å; F51-C179 VanDerWaalsContact CZ-CB 3.42Å; I52-C179 CarbonylContact O-C 3.54Å; I52-C179 WeakPolarHBondContact O-CA 3.42Å; C53-C179 HydrophobicContact CB-CB 3.97Å; C53-C179 WeakPolarHBondContact CB-SG 3.43Å; C53-C179 WeakPolarHBondContact SG-CB 3.17Å; C53-C179 CovalentContact SG-SG 2.04Å; C53-C179 PolarHBondContact SG-SG 3.36Å; L165-C179 CarbonylContact C-O 3.45Å; L165-C179 WeakPolarHBondContact CA-O 3.5Å; V166-C179 HydrophobicContact CG2-CB 3.72Å; V166-C179 PolarHBondContact N-O 3.4Å; V166-C179 PolarHBondContact O-N 3.39Å
180F96Very high94.5Very high105 Ų10558.6 Ų58.646%0.46130%0.303SS..EExtended strand (participates in β ladder)trans-108.5128-175.3-60-88.5000110.9I52 L165I52-F180 PolarHBondContact N-O 3.42Å; I52-F180 PolarHBondContact O-N 2.82Å; L165-F180 HydrophobicContact CD1-CD1 3.82Å; L165-F180 HydrophobicContact CD1-CE1 3.48Å; L165-F180 VanDerWaalsContact CD1-CE1 3.48Å; L165-F180 HydrophobicContact CD1-CE2 4.24Å; L165-F180 HydrophobicContact CD1-CG 4.35Å; L165-F180 HydrophobicContact CD1-CZ 3.7Å
181V93.8Very high94.3Very high11 Ų1156.9 Ų56.97%0.06729%0.292CS..  trans-86.4135.2-179.4-177.80000109.9F51 F69 R164 V166 P184F51-V181 HydrophobicContact CD2-CG2 4.44Å; F51-V181 HydrophobicContact CE2-CG2 4.17Å; F69-V181 HydrophobicContact CE2-CG1 4.3Å; F69-V181 HydrophobicContact CE2-CG2 3.95Å; F69-V181 HydrophobicContact CZ-CG1 3.83Å; F69-V181 HydrophobicContact CZ-CG2 3.79Å; R164-V181 PolarHBondContact O-N 2.89Å; V166-V181 HydrophobicContact CG1-CG2 4.37Å; V181-P184 WeakPolarHBondContact O-CD 3.44Å
182S92.8Very high94.2Very high12 Ų1250.7 Ų50.78%0.08428%0.276CS..SBendtrans-68.3136.3175.674.80000111.9D46 K187D46-S182 PolarHBondContact OD1-OG 3.34Å; S182-K187 WeakPolarHBondContact O-CD 3.33Å; S182-K187 VanDerWaalsContact O-CE 3.24Å; S182-K187 WeakPolarHBondContact O-CE 3.36Å; S182-K187 PolarHBondContact O-NZ 3.49Å; S182-K187 PolarHBondContact OG-NZ 3Å
183R92.8Very high93.9Very high117 Ų11755.4 Ų55.444%0.44229%0.294SS..SBendtrans44.951.8171.8-56165.5-179.5-104.23.4114.5D46 T185 E186 K187D46-R183 IonicContact OD2-NE 3.36Å; D46-R183 PolarHBondContact OD2-NE 2.96Å; D46-R183 IonicContact OD2-NH2 3.49Å; R183-T185 VanDerWaalsContact C-N 3.32Å; R183-T185 PolarHBondContact O-N 3.37Å; R183-E186 HydrophobicContact CB-CB 4.07Å; R183-E186 WeakPolarHBondContact CD-OE2 3.38Å; R183-E186 IonicContact NH1-OE2 3.09Å; R183-E186 PolarHBondContact NH1-OE2 3.32Å; R183-E186 VanDerWaalsContact NH1-OE2 3.09Å; R183-E186 PolarHBondContact O-N 3.41Å; R183-K187 WeakPolarHBondContact O-CG 3.42Å; R183-K187 PolarHBondContact O-N 2.89Å
184P93.6Very high93.8Very high19 Ų1955 Ų5512%0.12329%0.29CS..Hα-helixtrans-65.8-33.5-171.125.4-32.2000112.7M162 R164 V181 T188M162-P184 HydrophobicContact CB-CB 4.03Å; R164-P184 HydrophobicContact CB-CG 4.23Å; R164-P184 HydrophobicContact CG-CB 4.17Å; R164-P184 HydrophobicContact CG-CG 3.61Å; V181-P184 WeakPolarHBondContact O-CD 3.44Å; P184-T188 WeakPolarHBondContact O-CB 3.48Å; P184-T188 PolarHBondContact O-N 3.45Å; P184-T188 PolarHBondContact O-OG1 3.02Å
185T93.3Very high93.7Very high102 Ų10253.5 Ų53.563%0.62628%0.279SS*.Hα-helixtrans-66.4-47.6175.6480000111.5R183 T188 V189R183-T185 VanDerWaalsContact C-N 3.32Å; R183-T185 PolarHBondContact O-N 3.37Å; T185-T188 WeakPolarHBondContact O-CB 3.37Å; T185-T188 PolarHBondContact O-N 2.88Å; T185-V189 WeakPolarHBondContact O-CG2 3.49Å; T185-V189 PolarHBondContact O-N 2.77Å
186E92.8Very high93.6Very high61 Ų6149.1 Ų49.129%0.28526%0.263SS..Hα-helixtrans-61.1-48.8177.1-167.2175.3-178.500110.8V43 R183 T188 V189 F190V43-E186 HydrophobicContact CG1-CB 4.22Å; V43-E186 HydrophobicContact CG1-CG 3.86Å; V43-E186 HydrophobicContact CG2-CG 3.84Å; V43-E186 WeakPolarHBondContact CG2-OE1 3.47Å; R183-E186 HydrophobicContact CB-CB 4.07Å; R183-E186 WeakPolarHBondContact CD-OE2 3.38Å; R183-E186 IonicContact NH1-OE2 3.09Å; R183-E186 PolarHBondContact NH1-OE2 3.32Å; R183-E186 VanDerWaalsContact NH1-OE2 3.09Å; R183-E186 PolarHBondContact O-N 3.41Å; E186-T188 VanDerWaalsContact C-N 3.28Å; E186-T188 PolarHBondContact O-N 3.39Å; E186-V189 PolarHBondContact O-N 2.95Å; E186-V189 VanDerWaalsContact O-N 3.14Å; E186-F190 HydrophobicContact CG-CD2 4.01Å; E186-F190 HydrophobicContact CG-CE2 3.88Å; E186-F190 VanDerWaalsContact O-CD2 3.3Å; E186-F190 WeakPolarHBondContact O-CD2 3.37Å; E186-F190 PolarHBondContact O-N 3.35Å
187K94Very high93.5Very high5 Ų545.6 Ų45.62%0.02224%0.242CC..Hα-helixtrans-56.9-41.4175-72179.1-178.9161.90112.2V43 W44 M162 S182 R183 F190 T191V43-K187 HydrophobicContact CG1-CB 4.4Å; V43-K187 HydrophobicContact CG1-CG 3.48Å; V43-K187 VanDerWaalsContact CG1-CG 3.48Å; V43-K187 VanDerWaalsContact O-CE 3.27Å; V43-K187 WeakPolarHBondContact O-CE 3.5Å; W44-K187 HydrophobicContact CD2-CG 4.27Å; W44-K187 HydrophobicContact CH2-CB 3.93Å; W44-K187 HydrophobicContact CH2-CG 3.99Å; W44-K187 WeakPolarHBondContact CH2-O 3.5Å; W44-K187 HydrophobicContact CZ2-CB 3.71Å; W44-K187 HydrophobicContact CZ2-CD 4.29Å; W44-K187 HydrophobicContact CZ2-CG 3.68Å; W44-K187 HydrophobicContact CZ3-CG 4.41Å; M162-K187 HydrophobicContact CB-CB 4.44Å; M162-K187 HydrophobicContact CE-CB 4.31Å; M162-K187 HydrophobicContact CE-CD 4.05Å; M162-K187 HydrophobicContact CG-CB 3.75Å; S182-K187 WeakPolarHBondContact O-CD 3.33Å; S182-K187 VanDerWaalsContact O-CE 3.24Å; S182-K187 WeakPolarHBondContact O-CE 3.36Å; S182-K187 PolarHBondContact O-NZ 3.49Å; S182-K187 PolarHBondContact OG-NZ 3Å; R183-K187 WeakPolarHBondContact O-CG 3.42Å; R183-K187 PolarHBondContact O-N 2.89Å; K187-F190 PolarHBondContact O-N 3.13Å; K187-T191 WeakPolarHBondContact O-CB 3.27Å; K187-T191 PolarHBondContact O-N 2.99Å; K187-T191 PolarHBondContact O-OG1 2.86Å
188T93.4Very high93.3Very high29 Ų2945.3 Ų45.318%0.17824%0.241CC..Hα-helixtrans-62.9-44.9176.8-600000111.8A161 M162 P184 T185 E186 F190 T191 V192A161-T188 HydrophobicContact CB-CG2 3.88Å; M162-T188 PolarHBondContact N-OG1 2.98Å; P184-T188 WeakPolarHBondContact O-CB 3.48Å; P184-T188 PolarHBondContact O-N 3.45Å; P184-T188 PolarHBondContact O-OG1 3.02Å; T185-T188 WeakPolarHBondContact O-CB 3.37Å; T185-T188 PolarHBondContact O-N 2.88Å; E186-T188 VanDerWaalsContact C-N 3.28Å; E186-T188 PolarHBondContact O-N 3.39Å; T188-F190 PolarHBondContact O-N 3.49Å; T188-T191 WeakPolarHBondContact O-CB 3.35Å; T188-T191 PolarHBondContact O-N 3.46Å; T188-V192 HydrophobicContact CG2-CG2 4.38Å; T188-V192 WeakPolarHBondContact O-CG2 3.39Å; T188-V192 PolarHBondContact O-N 3.49Å
189V92.5Very high93.2Very high79 Ų7943.6 Ų43.648%0.47924%0.237SC..Hα-helixtrans-58.1-50.5178170.60000110.6T185 E186 T191 V192 F193T185-V189 WeakPolarHBondContact O-CG2 3.49Å; T185-V189 PolarHBondContact O-N 2.77Å; E186-V189 PolarHBondContact O-N 2.95Å; E186-V189 VanDerWaalsContact O-N 3.14Å; V189-T191 VanDerWaalsContact C-N 3.34Å; V189-T191 PolarHBondContact O-N 2.72Å; V189-V192 PolarHBondContact O-N 3.31Å; V189-F193 HydrophobicContact CG1-CD2 3.75Å; V189-F193 HydrophobicContact CG1-CE2 3.51Å; V189-F193 WeakPolarHBondContact O-CD2 3.38Å; V189-F193 PolarHBondContact O-N 2.9Å
190F92.4Very high93Very high35 Ų3547.7 Ų47.715%0.15426%0.259CS..Hα-helixtrans-61.7-40.2177.4-82.7-74.7000112.7V35 V38 A39 V43 W44 E186 K187 T188 F193 M194V35-F190 HydrophobicContact CG1-CD1 3.71Å; V35-F190 HydrophobicContact CG1-CE1 4.16Å; V38-F190 HydrophobicContact CG1-CE1 4.29Å; V38-F190 HydrophobicContact CG1-CZ 4.09Å; A39-F190 HydrophobicContact CB-CD1 3.96Å; A39-F190 HydrophobicContact CB-CE1 4.29Å; A39-F190 HydrophobicContact CB-CG 4.3Å; V43-F190 HydrophobicContact CB-CD2 4.44Å; V43-F190 HydrophobicContact CG1-CD2 4.32Å; V43-F190 HydrophobicContact CG2-CD2 3.7Å; V43-F190 HydrophobicContact CG2-CE2 3.42Å; V43-F190 VanDerWaalsContact CG2-CE2 3.42Å; V43-F190 HydrophobicContact CG2-CZ 4.14Å; W44-F190 HydrophobicContact CH2-CB 3.63Å; W44-F190 HydrophobicContact CZ3-CB 3.62Å; W44-F190 HydrophobicContact CZ3-CD2 4.38Å; W44-F190 HydrophobicContact CZ3-CG 4.09Å; E186-F190 HydrophobicContact CG-CD2 4.01Å; E186-F190 HydrophobicContact CG-CE2 3.88Å; E186-F190 VanDerWaalsContact O-CD2 3.3Å; E186-F190 WeakPolarHBondContact O-CD2 3.37Å; E186-F190 PolarHBondContact O-N 3.35Å; K187-F190 PolarHBondContact O-N 3.13Å; T188-F190 PolarHBondContact O-N 3.49Å; F190-F193 PolarHBondContact O-N 3.26Å; F190-M194 WeakPolarHBondContact O-CG 3.42Å; F190-M194 PolarHBondContact O-N 3.46Å
191T92.5Very high92.9Very high4 Ų442.7 Ų42.73%0.02524%0.237CC..Hα-helixtrans-59.8-47.2174.8-67.80000112H73 W77 F153 K187 T188 V189 F193 M194 L195H73-T191 PolarHBondContact CD2-OG1 3.26Å; H73-T191 VanDerWaalsContact CD2-OG1 3.31Å; W77-T191 HydrophobicContact CZ2-CG2 4.4Å; F153-T191 HydrophobicContact CE1-CG2 3.72Å; F153-T191 HydrophobicContact CE2-CG2 4.49Å; F153-T191 HydrophobicContact CZ-CG2 3.41Å; F153-T191 VanDerWaalsContact CZ-CG2 3.41Å; K187-T191 WeakPolarHBondContact O-CB 3.27Å; K187-T191 PolarHBondContact O-N 2.99Å; K187-T191 PolarHBondContact O-OG1 2.86Å; T188-T191 WeakPolarHBondContact O-CB 3.35Å; T188-T191 PolarHBondContact O-N 3.46Å; V189-T191 VanDerWaalsContact C-N 3.34Å; V189-T191 PolarHBondContact O-N 2.72Å; T191-F193 VanDerWaalsContact C-N 3.35Å; T191-F193 PolarHBondContact O-N 3.44Å; T191-M194 PolarHBondContact O-N 3.37Å; T191-L195 WeakPolarHBondContact O-CB 3.43Å; T191-L195 PolarHBondContact O-N 3.28Å
192V91.7Very high93Very high77 Ų7744 Ų4447%0.46724%0.243SC..Hα-helixtrans-61.5-43.3178.6171.30000111.1T188 V189 M194 L195 A196T188-V192 HydrophobicContact CG2-CG2 4.38Å; T188-V192 WeakPolarHBondContact O-CG2 3.39Å; T188-V192 PolarHBondContact O-N 3.49Å; V189-V192 PolarHBondContact O-N 3.31Å; V192-M194 PolarHBondContact O-N 3.06Å; V192-L195 PolarHBondContact O-N 2.91Å; V192-A196 WeakPolarHBondContact O-CB 3.46Å; V192-A196 PolarHBondContact O-N 3.47Å
193F90.8Very high93.1Very high129 Ų12949 Ų4957%0.56627%0.268SS*.Hα-helixtrans-60-46.1175.7-82.8-65.3000112.4V189 F190 T191 L195 A196 A197V189-F193 HydrophobicContact CG1-CD2 3.75Å; V189-F193 HydrophobicContact CG1-CE2 3.51Å; V189-F193 WeakPolarHBondContact O-CD2 3.38Å; V189-F193 PolarHBondContact O-N 2.9Å; F190-F193 PolarHBondContact O-N 3.26Å; T191-F193 VanDerWaalsContact C-N 3.35Å; T191-F193 PolarHBondContact O-N 3.44Å; F193-L195 PolarHBondContact O-N 3Å; F193-A196 PolarHBondContact O-N 3.48Å; F193-A197 WeakPolarHBondContact O-CB 3.29Å; F193-A197 PolarHBondContact O-N 2.88Å
194M91.8Very high93.2Very high8 Ų845 Ų454%0.03926%0.255CS..Hα-helixtrans-65-39.3178.8-73.5-62.4-7400112.1R32 V35 W77 F190 T191 V192 S198R32-M194 HydrophobicContact CB-CE 4.48Å; R32-M194 HydrophobicContact CG-CE 4.33Å; R32-M194 HydrophobicContact CG-SD 4.45Å; V35-M194 HydrophobicContact CB-SD 3.98Å; V35-M194 HydrophobicContact CG1-CG 3.88Å; V35-M194 HydrophobicContact CG1-SD 3.66Å; W77-M194 HydrophobicContact CB-CE 3.78Å; W77-M194 HydrophobicContact CD2-CB 4.17Å; W77-M194 HydrophobicContact CD2-CE 3.92Å; W77-M194 HydrophobicContact CD2-CG 3.92Å; W77-M194 HydrophobicContact CE3-CE 4.23Å; W77-M194 HydrophobicContact CE3-CG 3.89Å; W77-M194 HydrophobicContact CG-CE 3.72Å; W77-M194 HydrophobicContact CH2-CB 4.32Å; W77-M194 HydrophobicContact CH2-CG 4.04Å; W77-M194 HydrophobicContact CZ2-CB 3.89Å; W77-M194 HydrophobicContact CZ2-CG 4.08Å; W77-M194 HydrophobicContact CZ3-CG 3.95Å; F190-M194 WeakPolarHBondContact O-CG 3.42Å; F190-M194 PolarHBondContact O-N 3.46Å; T191-M194 PolarHBondContact O-N 3.37Å; V192-M194 PolarHBondContact O-N 3.06Å; M194-S198 WeakPolarHBondContact O-CB 3.42Å; M194-S198 PolarHBondContact O-N 3.45Å
195L92.4Very high93.2Very high29 Ų2944.1 Ų44.115%0.15225%0.249CC..Hα-helixtrans-65.2-45.5175.4-119.468000112.5M150 F153 Y160 T191 V192 F193 S198 G199M150-L195 HydrophobicContact CE-CG 4.3Å; M150-L195 HydrophobicContact SD-CD1 3.93Å; M150-L195 HydrophobicContact SD-CD2 4.39Å; M150-L195 HydrophobicContact SD-CG 3.71Å; F153-L195 HydrophobicContact CD1-CD1 3.7Å; F153-L195 HydrophobicContact CE1-CD1 3.82Å; F153-L195 HydrophobicContact CG-CD1 4.21Å; F153-L195 HydrophobicContact CZ-CD1 4.42Å; Y160-L195 HydrophobicContact CD1-CD2 3.11Å; Y160-L195 HydrophobicContact CE1-CD2 3.31Å; Y160-L195 HydrophobicContact CG-CD2 4.08Å; T191-L195 WeakPolarHBondContact O-CB 3.43Å; T191-L195 PolarHBondContact O-N 3.28Å; V192-L195 PolarHBondContact O-N 2.91Å; F193-L195 PolarHBondContact O-N 3Å; L195-S198 CarbonylContact O-C 3.59Å; L195-S198 WeakPolarHBondContact O-CA 3.28Å; L195-S198 WeakPolarHBondContact O-CB 3.47Å; L195-S198 PolarHBondContact O-N 3.36Å; L195-S198 VanDerWaalsContact O-N 3.14Å; L195-G199 PolarHBondContact O-N 2.95Å
196A92.6Very high93.3Very high54 Ų5442.4 Ų42.445%0.44624%0.238SC..Hα-helixtrans-61.2-46.8176.800000111.2V192 F193 S198 G199 I200V192-A196 WeakPolarHBondContact O-CB 3.46Å; V192-A196 PolarHBondContact O-N 3.47Å; F193-A196 PolarHBondContact O-N 3.48Å; A196-S198 PolarHBondContact O-N 3.07Å; A196-G199 PolarHBondContact O-N 3.43Å; A196-I200 WeakPolarHBondContact O-CG1 3.47Å; A196-I200 PolarHBondContact O-N 3.42Å
197A92.8Very high93.4Very high11 Ų1141.5 Ų41.59%0.09124%0.241CC..Hα-helixtrans-59.1-36.9174.500000111.8R32 F193 I200 C201R32-A197 HydrophobicContact CG-CB 4.39Å; F193-A197 WeakPolarHBondContact O-CB 3.29Å; F193-A197 PolarHBondContact O-N 2.88Å; A197-I200 PolarHBondContact O-N 3.5Å; A197-C201 PolarHBondContact O-N 3.27Å; A197-C201 PolarHBondContact O-SG 2.97Å
198S93.6Very high93.3Very high3 Ų341.4 Ų41.42%0.02124%0.241CC..Hα-helixtrans-68.9-41.2175.2-1620000113.8R32 Q80 E146 M150 M194 L195 A196 I200 C201 I202R32-S198 PolarHBondContact NH2-OG 3.01Å; Q80-S198 PolarHBondContact NE2-OG 3.06Å; E146-S198 PolarHBondContact OE2-OG 3.24Å; E146-S198 VanDerWaalsContact OE2-OG 3.13Å; M150-S198 VanDerWaalsContact CE-CB 3.47Å; M150-S198 WeakPolarHBondContact CE-OG 3.35Å; M194-S198 WeakPolarHBondContact O-CB 3.42Å; M194-S198 PolarHBondContact O-N 3.45Å; L195-S198 CarbonylContact O-C 3.59Å; L195-S198 WeakPolarHBondContact O-CA 3.28Å; L195-S198 WeakPolarHBondContact O-CB 3.47Å; L195-S198 PolarHBondContact O-N 3.36Å; L195-S198 VanDerWaalsContact O-N 3.14Å; A196-S198 PolarHBondContact O-N 3.07Å; S198-I200 VanDerWaalsContact C-N 3.34Å; S198-I200 PolarHBondContact O-N 2.9Å; S198-C201 PolarHBondContact O-N 2.83Å; S198-I202 WeakPolarHBondContact O-CG1 3.21Å; S198-I202 PolarHBondContact O-N 3.22Å
199G94Very high93.3Very high25 Ų2541.6 Ų41.626%0.25824%0.242SC..Hα-helixtrans-59.2-45.1171.400000111.9L195 A196 C201 I202 I203L195-G199 PolarHBondContact O-N 2.95Å; A196-G199 PolarHBondContact O-N 3.43Å; G199-C201 VanDerWaalsContact C-N 3.34Å; G199-C201 PolarHBondContact O-N 3.5Å; G199-I202 PolarHBondContact O-N 3.01Å; G199-I203 WeakPolarHBondContact O-CG1 3.5Å; G199-I203 PolarHBondContact O-N 2.69Å
200I93.9Very high93.3Very high87 Ų8741.2 Ų41.245%0.44624%0.24SC..Hα-helixtrans-60.2-44.2175.4-66.1164.7000110.8A196 A197 S198 I202 I203 L204A196-I200 WeakPolarHBondContact O-CG1 3.47Å; A196-I200 PolarHBondContact O-N 3.42Å; A197-I200 PolarHBondContact O-N 3.5Å; S198-I200 VanDerWaalsContact C-N 3.34Å; S198-I200 PolarHBondContact O-N 2.9Å; I200-I202 VanDerWaalsContact C-N 3.34Å; I200-I202 PolarHBondContact O-N 3.11Å; I200-I203 PolarHBondContact O-N 3.49Å; I200-L204 HydrophobicContact CG2-CD1 3.99Å; I200-L204 HydrophobicContact CG2-CG 4.33Å; I200-L204 WeakPolarHBondContact O-CG 3.35Å; I200-L204 PolarHBondContact O-N 2.92Å
201C94.3Very high93.2Very high0 Ų044.7 Ų44.70%025%0.252CS..Hα-helixtrans-61.7-40.1177.2-71.20000112.5E146 A197 S198 G199 L204 N205E146-C201 WeakPolarHBondContact OE1-CB 3.38Å; A197-C201 PolarHBondContact O-N 3.27Å; A197-C201 PolarHBondContact O-SG 2.97Å; S198-C201 PolarHBondContact O-N 2.83Å; G199-C201 VanDerWaalsContact C-N 3.34Å; G199-C201 PolarHBondContact O-N 3.5Å; C201-L204 PolarHBondContact O-N 3.5Å; C201-N205 WeakPolarHBondContact O-CB 3.48Å; C201-N205 VanDerWaalsContact O-CG 3.32Å; C201-N205 PolarHBondContact O-N 3.14Å; C201-N205 PolarHBondContact O-ND2 3.18Å
202I95.1Very high93Very high39 Ų3944.7 Ų44.720%0.225%0.252CS..Hα-helixtrans-61.1-49.6174.4-70.8168.7000110.1L143 E146 M150 S198 G199 I200 L204 N205 V206L143-I202 HydrophobicContact CD1-CG2 3.93Å; E146-I202 HydrophobicContact CB-CD1 4.27Å; E146-I202 HydrophobicContact CB-CG1 3.65Å; E146-I202 HydrophobicContact CG-CG1 4.49Å; M150-I202 HydrophobicContact CE-CD1 4.22Å; S198-I202 WeakPolarHBondContact O-CG1 3.21Å; S198-I202 PolarHBondContact O-N 3.22Å; G199-I202 PolarHBondContact O-N 3.01Å; I200-I202 VanDerWaalsContact C-N 3.34Å; I200-I202 PolarHBondContact O-N 3.11Å; I202-L204 VanDerWaalsContact C-N 3.34Å; I202-L204 PolarHBondContact O-N 3.24Å; I202-N205 PolarHBondContact O-N 3.5Å; I202-V206 HydrophobicContact CG2-CG2 4.39Å; I202-V206 WeakPolarHBondContact O-CG2 3.35Å; I202-V206 PolarHBondContact O-N 3.04Å
203I95.2Very high93Very high117 Ų11745.6 Ų45.660%0.625%0.253SS*.Hα-helixtrans-59-45.1179.3-66165.6000111G199 I200 V206 A207G199-I203 WeakPolarHBondContact O-CG1 3.5Å; G199-I203 PolarHBondContact O-N 2.69Å; I200-I203 PolarHBondContact O-N 3.49Å; I203-V206 PolarHBondContact O-N 3.33Å; I203-A207 WeakPolarHBondContact O-CB 3.27Å; I203-A207 PolarHBondContact O-N 3.39Å
204L94.2Very high93Very high33 Ų3344.5 Ų44.517%0.17325%0.253CS..Hα-helixtrans-63.2-41.8177.5-70.1174.2000112.3I20 V23 W24 V27 I200 C201 I202 A207 E208I20-L204 HydrophobicContact CG2-CD2 4.4Å; V23-L204 HydrophobicContact CG1-CD1 4.15Å; V23-L204 HydrophobicContact CG1-CD2 4.34Å; W24-L204 HydrophobicContact CB-CD1 4.29Å; V27-L204 HydrophobicContact CG2-CD1 4.31Å; I200-L204 HydrophobicContact CG2-CD1 3.99Å; I200-L204 HydrophobicContact CG2-CG 4.33Å; I200-L204 WeakPolarHBondContact O-CG 3.35Å; I200-L204 PolarHBondContact O-N 2.92Å; C201-L204 PolarHBondContact O-N 3.5Å; I202-L204 VanDerWaalsContact C-N 3.34Å; I202-L204 PolarHBondContact O-N 3.24Å; L204-A207 PolarHBondContact O-N 2.88Å; L204-E208 WeakPolarHBondContact O-CB 3.33Å; L204-E208 PolarHBondContact O-N 3.22Å
205N93.8Very high92.8Very high0 Ų047.2 Ų47.20%026%0.262CS..Hα-helixtrans-66.3-39.8176.4-74.8-43.3000111.6R142 L143 C201 I202 E208 V209R142-N205 PolarHBondContact NE-OD1 3.11Å; R142-N205 PolarHBondContact NH2-OD1 3Å; L143-N205 HydrophobicContact CB-CB 4.2Å; L143-N205 HydrophobicContact CD1-CB 4.2Å; C201-N205 WeakPolarHBondContact O-CB 3.48Å; C201-N205 VanDerWaalsContact O-CG 3.32Å; C201-N205 PolarHBondContact O-N 3.14Å; C201-N205 PolarHBondContact O-ND2 3.18Å; I202-N205 PolarHBondContact O-N 3.5Å; N205-E208 PolarHBondContact O-N 2.92Å; N205-V209 WeakPolarHBondContact O-CG2 3.34Å; N205-V209 PolarHBondContact O-N 2.88Å
206V95.3Very high92.5Very high65 Ų6546.6 Ų46.639%0.39426%0.261SS..Hα-helixtrans-63.2-46.8174.3171.70000110.7L143 I202 I203 E208 V209 V210L143-V206 HydrophobicContact CD1-CG2 3.79Å; L143-V206 HydrophobicContact CD2-CG2 4.04Å; I202-V206 HydrophobicContact CG2-CG2 4.39Å; I202-V206 WeakPolarHBondContact O-CG2 3.35Å; I202-V206 PolarHBondContact O-N 3.04Å; I203-V206 PolarHBondContact O-N 3.33Å; V206-E208 VanDerWaalsContact C-N 3.27Å; V206-E208 PolarHBondContact O-N 3.39Å; V206-V209 PolarHBondContact O-N 3.46Å; V206-V210 HydrophobicContact CG1-CG2 4.36Å; V206-V210 WeakPolarHBondContact O-CG2 3.22Å; V206-V210 PolarHBondContact O-N 3.38Å
207A94.5Very high92.4Very high43 Ų4347.3 Ų47.336%0.35526%0.262SS..Hα-helixtrans-58.6-39.6176.600000111.9I203 L204 V210 Y211I203-A207 WeakPolarHBondContact O-CB 3.27Å; I203-A207 PolarHBondContact O-N 3.39Å; L204-A207 PolarHBondContact O-N 2.88Å; A207-V210 PolarHBondContact O-N 3.4Å; A207-Y211 WeakPolarHBondContact O-CB 3.22Å; A207-Y211 PolarHBondContact O-N 2.86Å
208E93Very high92.2Very high2 Ų249.1 Ų49.11%0.00928%0.277CS..Hα-helixtrans-64.5-45.6175.3-174.968176.800111.9T18 I20 Y135 V139 L204 N205 V206 V210 Y211 L212T18-E208 WeakPolarHBondContact CB-OE1 3.49Å; T18-E208 WeakPolarHBondContact CG2-OE1 3.32Å; T18-E208 PolarHBondContact OG1-OE1 3.47Å; T18-E208 PolarHBondContact OG1-OE2 2.87Å; I20-E208 VanDerWaalsContact CB-OE2 3.23Å; I20-E208 WeakPolarHBondContact CB-OE2 3.16Å; I20-E208 WeakPolarHBondContact CD1-OE2 3.05Å; I20-E208 HydrophobicContact CG2-CB 4.17Å; Y135-E208 HydrophobicContact CE1-CG 4.36Å; Y135-E208 WeakPolarHBondContact CE1-OE1 3.4Å; Y135-E208 VanDerWaalsContact CZ-OE1 3.28Å; Y135-E208 PolarHBondContact OH-OE1 2.91Å; V139-E208 HydrophobicContact CG1-CB 4.12Å; V139-E208 HydrophobicContact CG1-CG 3.98Å; V139-E208 HydrophobicContact CG2-CG 3.99Å; L204-E208 WeakPolarHBondContact O-CB 3.33Å; L204-E208 PolarHBondContact O-N 3.22Å; N205-E208 PolarHBondContact O-N 2.92Å; V206-E208 VanDerWaalsContact C-N 3.27Å; V206-E208 PolarHBondContact O-N 3.39Å; E208-V210 PolarHBondContact O-N 2.97Å; E208-Y211 PolarHBondContact O-N 3.09Å; E208-L212 HydrophobicContact CG-CD1 4.26Å; E208-L212 VanDerWaalsContact O-CG 3.25Å; E208-L212 WeakPolarHBondContact O-CG 3.32Å; E208-L212 PolarHBondContact O-N 3.14Å
209V92.1Very high91.8Very high33 Ų3352.2 Ų52.220%0.229%0.288CS..Hα-helixtrans-59.6-47.4175.6172.10000110.7V139 N205 V206 Y211 L212 I213V139-V209 HydrophobicContact CB-CG2 4.45Å; V139-V209 HydrophobicContact CG1-CG2 3.56Å; N205-V209 WeakPolarHBondContact O-CG2 3.34Å; N205-V209 PolarHBondContact O-N 2.88Å; V206-V209 PolarHBondContact O-N 3.46Å; V209-Y211 PolarHBondContact O-N 3.48Å; V209-L212 PolarHBondContact O-N 3Å; V209-I213 HydrophobicContact CG1-CD1 3.67Å; V209-I213 HydrophobicContact CG1-CG1 4.35Å; V209-I213 VanDerWaalsContact O-CG1 3.28Å; V209-I213 WeakPolarHBondContact O-CG1 3.36Å; V209-I213 PolarHBondContact O-N 2.94Å
210V93.1Very high91.4Very high72 Ų7259 Ų5944%0.43631%0.306SS..Hα-helixtrans-59.8-45.9178171.80000110.8V206 A207 E208 L212 I213 I214V206-V210 HydrophobicContact CG1-CG2 4.36Å; V206-V210 WeakPolarHBondContact O-CG2 3.22Å; V206-V210 PolarHBondContact O-N 3.38Å; A207-V210 PolarHBondContact O-N 3.4Å; E208-V210 PolarHBondContact O-N 2.97Å; V210-L212 VanDerWaalsContact C-N 3.34Å; V210-L212 PolarHBondContact O-N 2.71Å; V210-I213 PolarHBondContact O-N 3.31Å; V210-I214 HydrophobicContact CG1-CD1 3.75Å; V210-I214 HydrophobicContact CG1-CG1 4.4Å; V210-I214 VanDerWaalsContact O-CG1 3.3Å; V210-I214 WeakPolarHBondContact O-CG1 3.29Å; V210-I214 PolarHBondContact O-N 2.95Å
211Y90.9Very high91Very high107 Ų10757.6 Ų57.642%0.4231%0.308SS..Hα-helixtrans-57.7-44.8175.8173.1-100.7000112.2A207 E208 V209 I214 R215A207-Y211 WeakPolarHBondContact O-CB 3.22Å; A207-Y211 PolarHBondContact O-N 2.86Å; E208-Y211 PolarHBondContact O-N 3.09Å; V209-Y211 PolarHBondContact O-N 3.48Å; Y211-I214 PolarHBondContact O-N 3.32Å; Y211-R215 WeakPolarHBondContact O-CB 3.16Å; Y211-R215 PolarHBondContact O-N 3.26Å
212L89.2Confident90.5Very high4 Ų464 Ų642%0.02134%0.337CS..Hα-helixtrans-65.9-39.1178.4-68.1170.4000112.4W132 Y135 V136 V139 E208 V209 V210 R215 A216W132-L212 HydrophobicContact CZ2-CB 4.5Å; Y135-L212 HydrophobicContact CD1-CD1 3.78Å; Y135-L212 HydrophobicContact CD1-CD2 4.12Å; Y135-L212 HydrophobicContact CE1-CD1 3.75Å; Y135-L212 HydrophobicContact CE1-CD2 4.1Å; Y135-L212 HydrophobicContact CE1-CG 4.43Å; V136-L212 HydrophobicContact CG2-CD1 3.91Å; V139-L212 HydrophobicContact CG2-CD1 4.48Å; E208-L212 HydrophobicContact CG-CD1 4.26Å; E208-L212 VanDerWaalsContact O-CG 3.25Å; E208-L212 WeakPolarHBondContact O-CG 3.32Å; E208-L212 PolarHBondContact O-N 3.14Å; V209-L212 PolarHBondContact O-N 3Å; V210-L212 VanDerWaalsContact C-N 3.34Å; V210-L212 PolarHBondContact O-N 2.71Å; L212-R215 PolarHBondContact O-N 2.9Å; L212-A216 WeakPolarHBondContact O-CB 3.32Å; L212-A216 PolarHBondContact O-N 3.24Å
213I90Very high89.7Confident96 Ų9672 Ų7249%0.49237%0.365SS..Hα-helixtrans-64.2-49.3176.1-68.9166.6000110.2V209 V210 R215 A216 C217V209-I213 HydrophobicContact CG1-CD1 3.67Å; V209-I213 HydrophobicContact CG1-CG1 4.35Å; V209-I213 VanDerWaalsContact O-CG1 3.28Å; V209-I213 WeakPolarHBondContact O-CG1 3.36Å; V209-I213 PolarHBondContact O-N 2.94Å; V210-I213 PolarHBondContact O-N 3.31Å; I213-R215 VanDerWaalsContact C-N 3.31Å; I213-R215 PolarHBondContact O-N 2.95Å; I213-A216 WeakPolarHBondContact O-CB 3.47Å; I213-A216 PolarHBondContact O-N 2.91Å; I213-A216 VanDerWaalsContact O-N 3.09Å; I213-C217 PolarHBondContact O-N 2.91Å; I213-C217 PolarHBondContact O-SG 3.24Å; I213-C217 VanDerWaalsContact O-SG 3.38Å
214I90.8Very high88.7Confident107 Ų10777 Ų7755%0.54938%0.377SS..Hα-helixtrans-57.2-46.6177.4-67.6167.4000110.1V210 Y211 A216 C217 A218V210-I214 HydrophobicContact CG1-CD1 3.75Å; V210-I214 HydrophobicContact CG1-CG1 4.4Å; V210-I214 VanDerWaalsContact O-CG1 3.3Å; V210-I214 WeakPolarHBondContact O-CG1 3.29Å; V210-I214 PolarHBondContact O-N 2.95Å; Y211-I214 PolarHBondContact O-N 3.32Å; I214-A216 VanDerWaalsContact C-N 3.33Å; I214-A216 PolarHBondContact O-N 3.01Å; I214-C217 PolarHBondContact O-N 2.94Å; I214-A218 WeakPolarHBondContact O-CB 3.06Å; I214-A218 PolarHBondContact O-N 3.31Å
215R87.6Confident87.2Confident64 Ų6480 Ų8024%0.24240%0.4CS..Hα-helixtrans-64.5-34.1177.6-172.1176.4178.2-170.4-1.5112.8Y211 L212 I213 R219Y211-R215 WeakPolarHBondContact O-CB 3.16Å; Y211-R215 PolarHBondContact O-N 3.26Å; L212-R215 PolarHBondContact O-N 2.9Å; I213-R215 VanDerWaalsContact C-N 3.31Å; I213-R215 PolarHBondContact O-N 2.95Å; R215-R219 WeakPolarHBondContact O-CG 3.41Å; R215-R219 PolarHBondContact O-N 3.48Å; R215-R219 PolarHBondContact O-NE 2.9Å
216A86.9Confident85.4Confident16 Ų1686.2 Ų86.213%0.13243%0.434CS..Hα-helixtrans-69.3-44.2174.900000111.7W132 L212 I213 I214 R219 R220W132-A216 HydrophobicContact CH2-CB 4.02Å; W132-A216 HydrophobicContact CZ2-CB 3.81Å; L212-A216 WeakPolarHBondContact O-CB 3.32Å; L212-A216 PolarHBondContact O-N 3.24Å; I213-A216 WeakPolarHBondContact O-CB 3.47Å; I213-A216 PolarHBondContact O-N 2.91Å; I213-A216 VanDerWaalsContact O-N 3.09Å; I214-A216 VanDerWaalsContact C-N 3.33Å; I214-A216 PolarHBondContact O-N 3.01Å; A216-R219 PolarHBondContact O-N 3.36Å; A216-R220 WeakPolarHBondContact O-CG 3.24Å; A216-R220 PolarHBondContact O-N 3.39Å
217C90.2Very high83.3Confident70 Ų7087.5 Ų87.547%0.47344%0.443SS..Hα-helixtrans-62.8-44.7176-69.40000111.8I213 I214 R219 R220 A221I213-C217 PolarHBondContact O-N 2.91Å; I213-C217 PolarHBondContact O-SG 3.24Å; I213-C217 VanDerWaalsContact O-SG 3.38Å; I214-C217 PolarHBondContact O-N 2.94Å; C217-R219 PolarHBondContact O-N 3.48Å; C217-R220 PolarHBondContact O-N 3.24Å; C217-R220 VanDerWaalsContact O-N 3.16Å; C217-A221 WeakPolarHBondContact O-CB 3.39Å; C217-A221 PolarHBondContact O-N 3.45Å
218A89Confident81.2Confident48 Ų4891.3 Ų91.340%0.39746%0.464SS..Hα-helixtrans-59.9-43.4176.200000112.3I214 R220 A221 Q222I214-A218 WeakPolarHBondContact O-CB 3.06Å; I214-A218 PolarHBondContact O-N 3.31Å; A218-R220 VanDerWaalsContact C-N 3.34Å; A218-R220 PolarHBondContact O-N 3.15Å; A218-A221 PolarHBondContact O-N 3.02Å; A218-Q222 WeakPolarHBondContact O-CG 3.27Å; A218-Q222 PolarHBondContact O-N 3.08Å
219R84.9Confident79Confident68 Ų6896 Ų9626%0.25750%0.497SS..Hα-helixtrans-63.7-37.1175.3-75.9-175.3-73.3-171.62.3112.6W132 R215 A216 C217 R223W132-R219 VanDerWaalsContact CD1-NH2 3.34Å; R215-R219 WeakPolarHBondContact O-CG 3.41Å; R215-R219 PolarHBondContact O-N 3.48Å; R215-R219 PolarHBondContact O-NE 2.9Å; A216-R219 PolarHBondContact O-N 3.36Å; C217-R219 PolarHBondContact O-N 3.48Å; R219-R223 WeakPolarHBondContact O-CG 3.45Å; R219-R223 PolarHBondContact O-N 3.1Å
220R85.4Confident76.8Confident168 Ų168106.4 Ų106.463%0.63453%0.533SS*.Hα-helixtrans-68.4-39.2174.2-72.2178.5-177.11751.1111.8A216 C217 A218 R223 R224A216-R220 WeakPolarHBondContact O-CG 3.24Å; A216-R220 PolarHBondContact O-N 3.39Å; C217-R220 PolarHBondContact O-N 3.24Å; C217-R220 VanDerWaalsContact O-N 3.16Å; A218-R220 VanDerWaalsContact C-N 3.34Å; A218-R220 PolarHBondContact O-N 3.15Å; R220-R223 PolarHBondContact O-N 3.15Å; R220-R224 PolarHBondContact O-N 2.9Å; R220-R224 VanDerWaalsContact O-N 3.07Å
221A86.4Confident74.4Confident58 Ų58111.7 Ų111.748%0.47955%0.55SS..Hα-helixtrans-65.7-44.4176.900000112C217 A218 R223 R224 S225C217-A221 WeakPolarHBondContact O-CB 3.39Å; C217-A221 PolarHBondContact O-N 3.45Å; A218-A221 PolarHBondContact O-N 3.02Å; A221-R223 VanDerWaalsContact C-N 3.32Å; A221-R223 PolarHBondContact O-N 2.86Å; A221-R224 PolarHBondContact O-N 3.21Å; A221-R224 VanDerWaalsContact O-N 3.09Å; A221-S225 PolarHBondContact O-N 3.31Å
222Q82.6Confident71.8Confident133 Ų133110.2 Ų110.262%0.62157%0.567SS**Hα-helixtrans-60.6-39.5174.6-74177-25.800112.4A218 R224 S225 N226A218-Q222 WeakPolarHBondContact O-CG 3.27Å; A218-Q222 PolarHBondContact O-N 3.08Å; Q222-R224 VanDerWaalsContact C-N 3.32Å; Q222-R224 PolarHBondContact O-N 3.31Å; Q222-S225 PolarHBondContact O-N 3.49Å; Q222-N226 PolarHBondContact O-N 2.66Å
223R77.8Confident69.4Low209 Ų209116 Ų11679%0.78961%0.608SS**Hα-helixtrans-65.7-32.6174.1-75.4-179.1-179-172.3-0.8113.1R219 R220 A221R219-R223 WeakPolarHBondContact O-CG 3.45Å; R219-R223 PolarHBondContact O-N 3.1Å; R220-R223 PolarHBondContact O-N 3.15Å; A221-R223 VanDerWaalsContact C-N 3.32Å; A221-R223 PolarHBondContact O-N 2.86Å
224R74.5Confident66.7Low221 Ų221115.2 Ų115.283%0.83462%0.623SS**Hα-helixtrans-76.7-34.7174.9-78.4-174.3172.6-177.1-2.4112.8R220 A221 Q222 N226R220-R224 PolarHBondContact O-N 2.9Å; R220-R224 VanDerWaalsContact O-N 3.07Å; A221-R224 PolarHBondContact O-N 3.21Å; A221-R224 VanDerWaalsContact O-N 3.09Å; Q222-R224 VanDerWaalsContact C-N 3.32Å; Q222-R224 PolarHBondContact O-N 3.31Å; R224-N226 PolarHBondContact O-N 2.85Å
225S64Low64.1Low95 Ų95117.8 Ų117.866%0.66463%0.631SS**Hα-helixtrans-73.7-14.5179.5-1680000113.7A221 Q222 P227A221-S225 PolarHBondContact O-N 3.31Å; Q222-S225 PolarHBondContact O-N 3.49Å; S225-P227 WeakPolarHBondContact O-CD 3.46Å
226N54.7Low61.8Low132 Ų132117.6 Ų117.671%0.70665%0.649SS**SBendtrans-100.374.7162.6-78.2-20.9000109.2Q222 R224Q222-N226 PolarHBondContact O-N 2.66Å; R224-N226 PolarHBondContact O-N 2.85Å
227P52Low59.7Low92 Ų92121.8 Ų121.860%0.59767%0.665SS**  trans-58.8139.8161.628.2-30.4000107S225 S229S225-P227 WeakPolarHBondContact O-CD 3.46Å; P227-S229 PolarHBondContact O-N 3.23Å
228P51.2Low57.2Low122 Ų122128.2 Ų128.279%0.79268%0.68SS**  trans-54.6115.2171.623-30.3000106.3R230P228-R230 VanDerWaalsContact C-N 3.31Å; P228-R230 PolarHBondContact O-N 3.45Å
229S46.7Very low55.1Low100 Ų100134.4 Ų134.470%0.69971%0.705SS**  trans-56.397.8-176.6-177.60000108.6P227 K231P227-S229 PolarHBondContact O-N 3.23Å; S229-K231 PolarHBondContact O-N 3.48Å; S229-K231 VanDerWaalsContact O-N 3.11Å
230R44Very low52.9Low252 Ų252133.6 Ų133.695%0.95171%0.71SS**  trans-8566.3170.3-132.9-179.4178.9178.8-1.5106.6P228P228-R230 VanDerWaalsContact C-N 3.31Å; P228-R230 PolarHBondContact O-N 3.45Å
231K42.9Very low51.2Low184 Ų184130.2 Ų130.280%0.871%0.709SS**  trans-143.295.5164.5-73.3-173.4178.8-178.60103.6S229S229-K231 PolarHBondContact O-N 3.48Å; S229-K231 VanDerWaalsContact O-N 3.11Å
232G38Very low49.4Very low75 Ų75131.4 Ų131.477%0.77371%0.705SS**  98.7114.177.800000107.6
233S38.6Very low48Very low126 Ų126133 Ų13388%0.88171%0.707SS**SBendtrans66.280.9162.6-1730000118.2F235S233-F235 PolarHBondContact O-N 3.46Å
234G33.1Very low47.2Very low79 Ų79130.3 Ų130.381%0.81470%0.701SS**SBendtrans53.354.1133.400000120.9
235F36.4Very low46.6Very low162 Ų162124.8 Ų124.871%0.71168%0.684SS**  trans-167.446.9162-141.7-109.3000113.3S233 H237S233-F235 PolarHBondContact O-N 3.46Å; F235-H237 HydrophobicContact CD1-CB 3.69Å; F235-H237 HydrophobicContact CD2-CB 4.45Å; F235-H237 AromaticContact CD2-CD2 3.88Å; F235-H237 HydrophobicContact CE1-CB 3.74Å; F235-H237 AromaticContact CE1-CD2 3.51Å; F235-H237 AromaticContact CE1-CG 3.62Å; F235-H237 AromaticContact CE2-CD2 3.22Å; F235-H237 WeakPolarHBondContact CE2-CD2 3.4Å; F235-H237 AromaticContact CE2-NE2 3.84Å; F235-H237 HydrophobicContact CG-CB 4.08Å; F235-H237 HydrophobicContact CZ-CB 4.17Å; F235-H237 AromaticContact CZ-CD2 3.01Å; F235-H237 WeakPolarHBondContact CZ-CD2 3.46Å; F235-H237 AromaticContact CZ-CG 3.64Å; F235-H237 AromaticContact CZ-NE2 3.38Å; F235-H237 WeakPolarHBondContact CZ-NE2 3.31Å; F235-H237 PolarHBondContact O-N 3.28Å
236G39.5Very low46.6Very low60 Ų60125.4 Ų125.462%0.61968%0.68SS**  trans-80.556.4163.400000110.4R238 S240G236-R238 PolarHBondContact O-N 3.01Å; G236-S240 WeakPolarHBondContact O-CB 3.5Å; G236-S240 PolarHBondContact O-OG 3.47Å
237H41.7Very low47.2Very low103 Ų103124.4 Ų124.448%0.47767%0.671SS.*THydrogen-bonded Turntrans-66.740.8-162.5-170.3-87.8000114.7F235 E242F235-H237 HydrophobicContact CD1-CB 3.69Å; F235-H237 HydrophobicContact CD2-CB 4.45Å; F235-H237 AromaticContact CD2-CD2 3.88Å; F235-H237 HydrophobicContact CE1-CB 3.74Å; F235-H237 AromaticContact CE1-CD2 3.51Å; F235-H237 AromaticContact CE1-CG 3.62Å; F235-H237 AromaticContact CE2-CD2 3.22Å; F235-H237 WeakPolarHBondContact CE2-CD2 3.4Å; F235-H237 AromaticContact CE2-NE2 3.84Å; F235-H237 HydrophobicContact CG-CB 4.08Å; F235-H237 HydrophobicContact CZ-CB 4.17Å; F235-H237 AromaticContact CZ-CD2 3.01Å; F235-H237 WeakPolarHBondContact CZ-CD2 3.46Å; F235-H237 AromaticContact CZ-CG 3.64Å; F235-H237 AromaticContact CZ-NE2 3.38Å; F235-H237 WeakPolarHBondContact CZ-NE2 3.31Å; F235-H237 PolarHBondContact O-N 3.28Å; H237-E242 VanDerWaalsContact O-OE2 3.08Å
238R37.4Very low48.2Very low206 Ų206124.1 Ų124.178%0.77766%0.664SS**THydrogen-bonded Turntrans-171.4-8.5170.8-118.2-179.6-147-168.46.2119.6G236 E242G236-R238 PolarHBondContact O-N 3.01Å; R238-E242 PolarHBondContact N-OE2 2.9Å
239L45.7Very low49.2Very low177 Ų177122 Ų12293%0.92765%0.646SS**SBendtrans-105.328.8-171.5-116.677.1000115.7
240S38.7Very low50.5Low51 Ų51123.5 Ų123.536%0.35764%0.64SS.*SBend-153179.5-117.5-164.90000106.3G236 E242 Y243G236-S240 WeakPolarHBondContact O-CB 3.5Å; G236-S240 PolarHBondContact O-OG 3.47Å; S240-E242 PolarHBondContact O-N 3.4Å; S240-Y243 PolarHBondContact O-N 3.41Å
241P50.1Low52Low97 Ų97116.1 Ų116.163%0.6362%0.619SS**Hα-helixtrans-48-19.2179.6-28.837.6000115K244 Q245P241-K244 PolarHBondContact O-N 3.22Å; P241-Q245 WeakPolarHBondContact O-CB 3.5Å; P241-Q245 PolarHBondContact O-N 2.85Å
242E48.9Very low53.3Low83 Ų83112 Ų11239%0.38861%0.605SS.*Hα-helixtrans-64.5-33.9170.9-65.8-179.2136.300116.1H237 R238 S240 Q245 N246H237-E242 VanDerWaalsContact O-OE2 3.08Å; R238-E242 PolarHBondContact N-OE2 2.9Å; S240-E242 PolarHBondContact O-N 3.4Å; E242-Q245 PolarHBondContact O-N 3.2Å; E242-N246 WeakPolarHBondContact O-CB 3.45Å; E242-N246 VanDerWaalsContact O-CG 3.29Å; E242-N246 PolarHBondContact O-N 3.36Å
243Y52.1Low54.9Low168 Ų168112.1 Ų112.166%0.65959%0.594SS**Hα-helixtrans-72.5-38.4174.5-161.5-85.4000110.6S240 N246 E247S240-Y243 PolarHBondContact O-N 3.41Å; Y243-N246 PolarHBondContact O-N 2.98Å; Y243-E247 WeakPolarHBondContact O-CB 3.35Å; Y243-E247 PolarHBondContact O-N 3.17Å
244K62Low56.3Low152 Ų152111.5 Ų111.566%0.66158%0.577SS**Hα-helixtrans-64.9-37.9169.1-89.3-172.7172.5-175.40111.9P241 N246 E247 I248P241-K244 PolarHBondContact O-N 3.22Å; K244-N246 VanDerWaalsContact C-N 3.35Å; K244-E247 PolarHBondContact O-N 3.44Å; K244-I248 WeakPolarHBondContact O-CB 3.42Å; K244-I248 VanDerWaalsContact O-CG1 3.24Å; K244-I248 WeakPolarHBondContact O-CG1 3.43Å; K244-I248 PolarHBondContact O-N 3Å
245Q61.1Low58.1Low105 Ų105114.4 Ų114.449%0.49157%0.569SS.*Hα-helixtrans-65.8-38.1174.7-161.975.828.300111P241 E242 I248 N249P241-Q245 WeakPolarHBondContact O-CB 3.5Å; P241-Q245 PolarHBondContact O-N 2.85Å; E242-Q245 PolarHBondContact O-N 3.2Å; Q245-I248 PolarHBondContact O-N 3.21Å; Q245-N249 VanDerWaalsContact O-CB 3.24Å; Q245-N249 WeakPolarHBondContact O-CB 3.44Å; Q245-N249 PolarHBondContact O-N 3.34Å; Q245-N249 PolarHBondContact O-ND2 3.46Å
246N63.7Low59.5Low108 Ų108110.2 Ų110.258%0.57856%0.555SS**Hα-helixtrans-66.9-36.7173.4-74.8-14.1000112.6E242 Y243 K244 K250E242-N246 WeakPolarHBondContact O-CB 3.45Å; E242-N246 VanDerWaalsContact O-CG 3.29Å; E242-N246 PolarHBondContact O-N 3.36Å; Y243-N246 PolarHBondContact O-N 2.98Å; K244-N246 VanDerWaalsContact C-N 3.35Å; N246-K250 WeakPolarHBondContact O-CB 3.28Å; N246-K250 PolarHBondContact O-N 3.44Å
247E68Low60.8Low111 Ų111108.7 Ų108.752%0.51954%0.539SS..Hα-helixtrans-68.8-41.6174.2-164170.5176.400111.7Y243 K244 K250 L251Y243-E247 WeakPolarHBondContact O-CB 3.35Å; Y243-E247 PolarHBondContact O-N 3.17Å; K244-E247 PolarHBondContact O-N 3.44Å; E247-K250 PolarHBondContact O-N 3.47Å; E247-L251 WeakPolarHBondContact O-CG 3.48Å; E247-L251 PolarHBondContact O-N 2.82Å
248I73.4Confident62.1Low85 Ų85107 Ų10744%0.43654%0.538SS..Hα-helixtrans-67.8-41.1174.4-67.6165.4000111.3K244 Q245 K250 L251 L252K244-I248 WeakPolarHBondContact O-CB 3.42Å; K244-I248 VanDerWaalsContact O-CG1 3.24Å; K244-I248 WeakPolarHBondContact O-CG1 3.43Å; K244-I248 PolarHBondContact O-N 3Å; Q245-I248 PolarHBondContact O-N 3.21Å; I248-K250 VanDerWaalsContact C-N 3.31Å; I248-K250 PolarHBondContact O-N 2.86Å; I248-L251 PolarHBondContact O-N 3.16Å; I248-L252 HydrophobicContact CG2-CD1 3.96Å; I248-L252 WeakPolarHBondContact O-CB 3.4Å; I248-L252 PolarHBondContact O-N 3.4Å
249N70.7Confident63.5Low77 Ų77101.8 Ų101.841%0.41253%0.525SS..Hα-helixtrans-64.9-34.9175.2-72.5-16.5000111.5Q245 S253Q245-N249 VanDerWaalsContact O-CB 3.24Å; Q245-N249 WeakPolarHBondContact O-CB 3.44Å; Q245-N249 PolarHBondContact O-N 3.34Å; Q245-N249 PolarHBondContact O-ND2 3.46Å; N249-S253 WeakPolarHBondContact O-CB 3.49Å; N249-S253 PolarHBondContact O-N 2.88Å; N249-S253 PolarHBondContact O-OG 3.4Å
250K75.1Confident64.4Low132 Ų13298.8 Ų98.857%0.57451%0.505SS*.Hα-helixtrans-65.2-43.8173.1-169.6-179.4177.7-170.60111.5N246 E247 I248 S253 E254N246-K250 WeakPolarHBondContact O-CB 3.28Å; N246-K250 PolarHBondContact O-N 3.44Å; E247-K250 PolarHBondContact O-N 3.47Å; I248-K250 VanDerWaalsContact C-N 3.31Å; I248-K250 PolarHBondContact O-N 2.86Å; K250-S253 WeakPolarHBondContact CA-OG 3.42Å; K250-S253 PolarHBondContact O-N 2.88Å; K250-S253 PolarHBondContact O-OG 3.17Å; K250-E254 WeakPolarHBondContact O-CG 3.07Å; K250-E254 PolarHBondContact O-N 3.24Å
251L74Confident65.5Low98 Ų98101.1 Ų101.151%0.51351%0.513SS..Hα-helixtrans-66.9-38.1176.2-67.4171.5000112.7E247 I248 E254 Q255E247-L251 WeakPolarHBondContact O-CG 3.48Å; E247-L251 PolarHBondContact O-N 2.82Å; I248-L251 PolarHBondContact O-N 3.16Å; L251-E254 PolarHBondContact O-N 3.14Å; L251-Q255 PolarHBondContact O-N 3.39Å
252L71.2Confident66.2Low98 Ų98101.7 Ų101.751%0.51351%0.51SS..Hα-helixtrans-68.5-32.4175.2-82.3164.8000112.7I248 D256I248-L252 HydrophobicContact CG2-CD1 3.96Å; I248-L252 WeakPolarHBondContact O-CB 3.4Å; I248-L252 PolarHBondContact O-N 3.4Å; L252-D256 WeakPolarHBondContact O-CB 3.37Å; L252-D256 PolarHBondContact O-N 3.23Å
253S71.1Confident66.7Low77 Ų77102.9 Ų102.954%0.53852%0.519SS..Hα-helixtrans-79.4-28.9174.8400000113.1N249 K250 G257N249-S253 WeakPolarHBondContact O-CB 3.49Å; N249-S253 PolarHBondContact O-N 2.88Å; N249-S253 PolarHBondContact O-OG 3.4Å; K250-S253 WeakPolarHBondContact CA-OG 3.42Å; K250-S253 PolarHBondContact O-N 2.88Å; K250-S253 PolarHBondContact O-OG 3.17Å; S253-G257 WeakPolarHBondContact O-CA 3.29Å; S253-G257 PolarHBondContact O-N 2.99Å
254E68.1Low66.9Low112 Ų112105 Ų10552%0.52353%0.525SS..Hα-helixtrans-67.4-35.6166.2-75.3174175.300111.6K250 L251 S258K250-E254 WeakPolarHBondContact O-CG 3.07Å; K250-E254 PolarHBondContact O-N 3.24Å; L251-E254 PolarHBondContact O-N 3.14Å; E254-S258 VanDerWaalsContact O-CB 3.26Å; E254-S258 WeakPolarHBondContact O-CB 3.06Å; E254-S258 PolarHBondContact O-N 3.32Å
255Q71Confident66.6Low140 Ų140108.8 Ų108.865%0.65454%0.535SS*.Hα-helixtrans-72.5-44.8173.4-102.8-172.9-27.100113.5L251 G257 S258 L259L251-Q255 PolarHBondContact O-N 3.39Å; Q255-G257 VanDerWaalsContact C-N 3.33Å; Q255-S258 PolarHBondContact O-N 3.44Å; Q255-L259 VanDerWaalsContact O-CB 3.26Å; Q255-L259 WeakPolarHBondContact O-CB 3.27Å; Q255-L259 PolarHBondContact O-N 3.22Å
256D66.8Low66Low75 Ų75108.3 Ų108.340%0.40154%0.544SS..Hα-helixtrans-68.6-32.9176.3-171.860.9000111.4L252 K260L252-D256 WeakPolarHBondContact O-CB 3.37Å; L252-D256 PolarHBondContact O-N 3.23Å; D256-K260 WeakPolarHBondContact O-CB 3.4Å; D256-K260 VanDerWaalsContact O-CG 3.31Å; D256-K260 WeakPolarHBondContact O-CG 3.23Å; D256-K260 PolarHBondContact O-N 2.99Å; D256-K260 IonicContact OD1-NZ 3.92Å; D256-K260 VanDerWaalsContact OD2-CE 3.26Å; D256-K260 WeakPolarHBondContact OD2-CE 3.45Å; D256-K260 IonicContact OD2-NZ 2.69Å; D256-K260 PolarHBondContact OD2-NZ 2.03Å
257G66.4Low64.7Low28 Ų28108.4 Ų108.429%0.28955%0.55SS..Hα-helixtrans-65.2-46.4171.300000112.4S253 Q255 K260 D261S253-G257 WeakPolarHBondContact O-CA 3.29Å; S253-G257 PolarHBondContact O-N 2.99Å; Q255-G257 VanDerWaalsContact C-N 3.33Å; G257-K260 PolarHBondContact O-N 2.9Å; G257-D261 VanDerWaalsContact O-CB 3.29Å; G257-D261 WeakPolarHBondContact O-CB 3.04Å; G257-D261 VanDerWaalsContact O-CG 3.24Å; G257-D261 PolarHBondContact O-N 3.31Å
258S68.8Low63.3Low66 Ų66106.7 Ų106.746%0.46256%0.563SS.*Hα-helixtrans-66.2-40.3174.9-172.30000112.4E254 Q255 D261 I262E254-S258 VanDerWaalsContact O-CB 3.26Å; E254-S258 WeakPolarHBondContact O-CB 3.06Å; E254-S258 PolarHBondContact O-N 3.32Å; Q255-S258 PolarHBondContact O-N 3.44Å; S258-D261 PolarHBondContact O-N 2.03Å; S258-I262 WeakPolarHBondContact O-CB 3.35Å; S258-I262 WeakPolarHBondContact O-CD1 3.46Å; S258-I262 WeakPolarHBondContact O-CG1 3.03Å; S258-I262 PolarHBondContact O-N 2.91Å
259L65.7Low61.7Low97 Ų97109.6 Ų109.651%0.50858%0.584SS.*Hα-helixtrans-68.8-41.1176.6-164.985.7000111.7Q255 I262 L263Q255-L259 VanDerWaalsContact O-CB 3.26Å; Q255-L259 WeakPolarHBondContact O-CB 3.27Å; Q255-L259 PolarHBondContact O-N 3.22Å; L259-I262 PolarHBondContact O-N 3.33Å; L259-L263 HydrophobicContact CD2-CD1 4.18Å; L259-L263 HydrophobicContact CG-CD1 4.06Å; L259-L263 WeakPolarHBondContact O-CB 2.93Å; L259-L263 WeakPolarHBondContact O-CG 3.05Å; L259-L263 PolarHBondContact O-N 3.18Å
260K65Low60Low115 Ų115109.9 Ų109.950%0.561%0.605SS.*Hα-helixtrans-66.5-38.5172-80.9173.1177.9157.20111.1D256 G257 I262 L263 R264D256-K260 WeakPolarHBondContact O-CB 3.4Å; D256-K260 VanDerWaalsContact O-CG 3.31Å; D256-K260 WeakPolarHBondContact O-CG 3.23Å; D256-K260 PolarHBondContact O-N 2.99Å; D256-K260 IonicContact OD1-NZ 3.92Å; D256-K260 VanDerWaalsContact OD2-CE 3.26Å; D256-K260 WeakPolarHBondContact OD2-CE 3.45Å; D256-K260 IonicContact OD2-NZ 2.69Å; D256-K260 PolarHBondContact OD2-NZ 2.03Å; G257-K260 PolarHBondContact O-N 2.9Å; K260-I262 VanDerWaalsContact C-N 3.31Å; K260-I262 PolarHBondContact O-N 2.83Å; K260-L263 CarbonylContact O-C 3.58Å; K260-L263 PolarHBondContact O-N 2.04Å; K260-R264 WeakPolarHBondContact O-CA 3.26Å; K260-R264 WeakPolarHBondContact O-CB 3.41Å; K260-R264 PolarHBondContact O-N 2.86Å
261D62.5Low58.3Low99 Ų99108.3 Ų108.353%0.52962%0.617SS.*Hα-helixtrans-66.7-33.3174.3-77.1-24.5000111.9G257 S258 R265G257-D261 VanDerWaalsContact O-CB 3.29Å; G257-D261 WeakPolarHBondContact O-CB 3.04Å; G257-D261 VanDerWaalsContact O-CG 3.24Å; G257-D261 PolarHBondContact O-N 3.31Å; S258-D261 PolarHBondContact O-N 2.03Å; D261-R265 WeakPolarHBondContact O-CB 3.1Å; D261-R265 VanDerWaalsContact O-CG 3.27Å; D261-R265 WeakPolarHBondContact O-CG 3.11Å; D261-R265 PolarHBondContact O-N 3.16Å
262I65.1Low56.5Low109 Ų109107 Ų10756%0.55963%0.628SS**Hα-helixtrans-67.3-43.8170.6-69.6162.3000111S258 L259 K260 S266S258-I262 WeakPolarHBondContact O-CB 3.35Å; S258-I262 WeakPolarHBondContact O-CD1 3.46Å; S258-I262 WeakPolarHBondContact O-CG1 3.03Å; S258-I262 PolarHBondContact O-N 2.91Å; L259-I262 PolarHBondContact O-N 3.33Å; K260-I262 VanDerWaalsContact C-N 3.31Å; K260-I262 PolarHBondContact O-N 2.83Å; I262-S266 PolarHBondContact O-N 2.83Å
263L58.5Low54.9Low109 Ų109110.7 Ų110.757%0.57165%0.647SS**Hα-helixtrans-74.3-29.2178.7-77.3160.1000113.1L259 K260 S266L259-L263 HydrophobicContact CD2-CD1 4.18Å; L259-L263 HydrophobicContact CG-CD1 4.06Å; L259-L263 WeakPolarHBondContact O-CB 2.93Å; L259-L263 WeakPolarHBondContact O-CG 3.05Å; L259-L263 PolarHBondContact O-N 3.18Å; K260-L263 CarbonylContact O-C 3.58Å; K260-L263 PolarHBondContact O-N 2.04Å; L263-S266 CarbonylContact O-C 3.46Å; L263-S266 PolarHBondContact O-N 3.27Å; L263-S266 VanDerWaalsContact O-O 3.08Å
264R57.4Low53.3Low211 Ų211111.1 Ų111.180%0.79666%0.655SS**Hα-helixtrans-86-24.7178.6-137.5178.2-169.7-177.40.8112.1K260 P267K260-R264 WeakPolarHBondContact O-CA 3.26Å; K260-R264 WeakPolarHBondContact O-CB 3.41Å; K260-R264 PolarHBondContact O-N 2.86Å; R264-P267 VanDerWaalsContact O-CD 3.3Å; R264-P267 WeakPolarHBondContact O-CD 3.33Å
265R56Low51.9Low233 Ų233113.3 Ų113.388%0.87967%0.665SS**SBendtrans-76.1-4.8164.3-77.1-179.2176.21761.4113.2D261D261-R265 WeakPolarHBondContact O-CB 3.1Å; D261-R265 VanDerWaalsContact O-CG 3.27Å; D261-R265 WeakPolarHBondContact O-CG 3.11Å; D261-R265 PolarHBondContact O-N 3.16Å
266S47Very low50.3Low95 Ų95115.3 Ų115.366%0.66467%0.672SS**SBendtrans-122.267.4172.3-158.80000110.4I262 L263I262-S266 PolarHBondContact O-N 2.83Å; L263-S266 CarbonylContact O-C 3.46Å; L263-S266 PolarHBondContact O-N 3.27Å; L263-S266 VanDerWaalsContact O-O 3.08Å
267P37.3Very low48.9Very low109 Ų109116.4 Ų116.471%0.70869%0.685SS**SBend-147.9126.4119.330.2-11.6000112.4R264R264-P267 VanDerWaalsContact O-CD 3.3Å; R264-P267 WeakPolarHBondContact O-CD 3.33Å
268G38.9Very low47.8Very low76 Ų76121.6 Ų121.678%0.78471%0.707SS**  trans153.646.2167.100000117.6
269T38.9Very low46.6Very low145 Ų145128.8 Ų128.889%0.8972%0.723SS**  trans-144.397.1150.610.30000108.6
270G34.4Very low45.3Very low83 Ų83129.2 Ų129.286%0.85673%0.733SS**  trans-66.6128.8162.500000109.7
271A40Very low44.3Very low100 Ų100129.4 Ų129.483%0.82675%0.749SS**  trans-158.7103.3155.400000108
272G36.4Very low43.6Very low71 Ų71129 Ų12973%0.73276%0.759SS**  trans49.4110150.200000119.8
273L38.1Very low42.9Very low175 Ų175133.7 Ų133.792%0.91680%0.8SS**  -178.1125.6111.4-101.4142.5000109.9
274A38Very low42.1Very low86 Ų86135 Ų13571%0.71181%0.811SS**  trans30.3126.915200000117.6
275E38.4Very low41.3Very low157 Ų157130.9 Ų130.973%0.73481%0.812SS**  -178.3135.766.3-176159.2139.400110.6
276K37.3Very low40.5Very low183 Ų183125.3 Ų125.380%0.79681%0.808SS**  trans47.3117.2154.9-79.2165168.2160.20120
277S36.8Very low40.1Very low98 Ų98127.1 Ų127.169%0.68582%0.817SS**  -176.7124.3101.4-160.10000111
278D44Very low40.2Very low137 Ų137128.2 Ų128.273%0.73382%0.824SS**  trans44.5141141.8-59.5-25.2000120.5
279R42.4Very low40.3Very low216 Ų216131.7 Ų131.782%0.81583%0.826SS**  cis-178.8149.9-0.4-118.6179.4-170.5-1590.2105.6
280C38.5Very low40.4Very low106 Ų106130.7 Ų130.772%0.71682%0.822SS**  trans68.3116145.8-66.90000122.4
281S44.7Very low40.9Very low120 Ų120134.4 Ų134.484%0.83982%0.819SS**  52.5141.4120.1-50.10000119.4
282A47.9Very low41Very low89 Ų89137.3 Ų137.374%0.73682%0.819SS**  cis-167.8164.430.800000111.1
283C49.4Very low41.4Very low209 Ų209143.3 Ų143.3100%1.41283%0.827SS**  trans78.10167.3-61.90000117.3

Retrieved 283 of 283 residues in 48.8 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).