A0A023R1S1_HUMAN Loading...

NADH-ubiquinone oxidoreductase chain 1

AlphaFold DB , UniProt , Accession A0A023R1S1, Species HUMAN (Homo sapiens, Human), Gene ND1, Length 316 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M47.8Very low83.8Confident240 Ų24088.9 Ų88.9100%1.18249%0.492SS*.  084.80-95.9-83.1-160.800107.7N3M1-N3 PolarHBondContact O-N 2.98Å
2A58.2Low84.6Confident73 Ų7386.2 Ų86.260%0.60348%0.476SS*.  trans-66.9120.117000000107.1L93A2-L93 HydrophobicContact CB-CD1 3.87Å; A2-L93 WeakPolarHBondContact O-CD1 3.37Å
3N83.1Confident85.4Confident98 Ų9885.6 Ų85.652%0.52447%0.47SS..  trans-78.2136.6-179.2-160.7-11000108.4M1 L5 L6 L7M1-N3 PolarHBondContact O-N 2.98Å; N3-L5 PolarHBondContact O-N 2.95Å; N3-L5 VanDerWaalsContact O-N 3.09Å; N3-L6 HydrophobicContact CB-CD1 3.98Å; N3-L6 HydrophobicContact CB-CG 4.2Å; N3-L6 WeakPolarHBondContact O-CA 3.29Å; N3-L6 WeakPolarHBondContact O-CB 3.37Å; N3-L6 PolarHBondContact O-N 2.97Å; N3-L7 PolarHBondContact O-N 3.12Å
4L87.6Confident86.1Confident98 Ų9882.7 Ų82.751%0.51346%0.463SS..Hα-helixtrans-54-32.8177.7179.1127.4000111.6L6 L7 I8 L93L4-L6 VanDerWaalsContact C-N 3.34Å; L4-L6 PolarHBondContact O-N 3.33Å; L4-L7 PolarHBondContact O-N 3.42Å; L4-I8 HydrophobicContact CD2-CD1 3.39Å; L4-I8 HydrophobicContact CD2-CG1 4.47Å; L4-I8 HydrophobicContact CG-CD1 3.77Å; L4-I8 HydrophobicContact CG-CG1 4.45Å; L4-I8 WeakPolarHBondContact O-CG1 3.47Å; L4-I8 PolarHBondContact O-N 3.17Å; L4-L93 HydrophobicContact CD1-CD2 4.29Å
5L89.4Confident86.7Confident114 Ų11477.5 Ų77.560%0.59743%0.434SS*.Hα-helixtrans-61.9-38.7174.4-160.288.7000113.2N3 L7 I8 V9N3-L5 PolarHBondContact O-N 2.95Å; N3-L5 VanDerWaalsContact O-N 3.09Å; L5-L7 PolarHBondContact O-N 2.94Å; L5-I8 PolarHBondContact O-N 3.44Å; L5-V9 HydrophobicContact CD1-CG2 4.34Å; L5-V9 HydrophobicContact CG-CG2 3.99Å; L5-V9 WeakPolarHBondContact O-CB 3.45Å; L5-V9 WeakPolarHBondContact O-CG2 3.1Å; L5-V9 PolarHBondContact O-N 3.14Å
6L90.7Very high87.1Confident126 Ų12673.8 Ų73.866%0.6642%0.416SS*.Hα-helixtrans-69.7-19.2178.8-73.2166.8000112.3N3 L4 P10N3-L6 HydrophobicContact CB-CD1 3.98Å; N3-L6 HydrophobicContact CB-CG 4.2Å; N3-L6 WeakPolarHBondContact O-CA 3.29Å; N3-L6 WeakPolarHBondContact O-CB 3.37Å; N3-L6 PolarHBondContact O-N 2.97Å; L4-L6 VanDerWaalsContact C-N 3.34Å; L4-L6 PolarHBondContact O-N 3.33Å; L6-P10 WeakPolarHBondContact O-CD 3.37Å; L6-P10 WeakPolarHBondContact O-CG 3.45Å
7L90.5Very high87.6Confident38 Ų3873.8 Ų73.820%0.19941%0.41CS..Hα-helixtrans-84-52.8171.5-176.468.2000110.6N3 L4 L5 P10 I11 W84 L93N3-L7 PolarHBondContact O-N 3.12Å; L4-L7 PolarHBondContact O-N 3.42Å; L5-L7 PolarHBondContact O-N 2.94Å; L7-P10 WeakPolarHBondContact O-CD 3.32Å; L7-I11 HydrophobicContact CD1-CD1 3.87Å; L7-I11 HydrophobicContact CG-CD1 3.71Å; L7-I11 WeakPolarHBondContact O-CD1 3.15Å; L7-I11 WeakPolarHBondContact O-CG1 2.94Å; L7-I11 PolarHBondContact O-N 3.11Å; L7-W84 HydrophobicContact CD2-CB 4.15Å; L7-L93 HydrophobicContact CD2-CB 4.33Å; L7-L93 HydrophobicContact CD2-CD2 3.95Å
8I92.9Very high88Confident43 Ų4370.4 Ų70.422%0.22139%0.392CS..Hα-helixtrans-68.4-43-170.1-65.2174.2000112.4L4 L5 I11 L12 L81L4-I8 HydrophobicContact CD2-CD1 3.39Å; L4-I8 HydrophobicContact CD2-CG1 4.47Å; L4-I8 HydrophobicContact CG-CD1 3.77Å; L4-I8 HydrophobicContact CG-CG1 4.45Å; L4-I8 WeakPolarHBondContact O-CG1 3.47Å; L4-I8 PolarHBondContact O-N 3.17Å; L5-I8 PolarHBondContact O-N 3.44Å; I8-I11 PolarHBondContact O-N 3.01Å; I8-L12 HydrophobicContact CG2-CD1 3.89Å; I8-L12 HydrophobicContact CG2-CG 4.27Å; I8-L12 WeakPolarHBondContact O-CG 3.19Å; I8-L12 PolarHBondContact O-N 2.88Å; I8-L81 HydrophobicContact CG2-CD1 4.17Å; I8-L81 HydrophobicContact CG2-CD2 4.19Å
9V93.7Very high88.2Confident68 Ų6868.7 Ų68.741%0.41238%0.381SS..Hα-helixtrans-63.2-49.4-174.71720000111.7L5 I11 L12 I13L5-V9 HydrophobicContact CD1-CG2 4.34Å; L5-V9 HydrophobicContact CG-CG2 3.99Å; L5-V9 WeakPolarHBondContact O-CB 3.45Å; L5-V9 WeakPolarHBondContact O-CG2 3.1Å; L5-V9 PolarHBondContact O-N 3.14Å; V9-I11 VanDerWaalsContact C-N 3.31Å; V9-I11 PolarHBondContact O-N 3.35Å; V9-L12 PolarHBondContact O-N 3.14Å; V9-I13 HydrophobicContact CG1-CD1 3.81Å; V9-I13 WeakPolarHBondContact O-CG1 3.43Å; V9-I13 PolarHBondContact O-N 2.66Å; V9-I13 VanDerWaalsContact O-N 3.07Å
10P93.6Very high88.5Confident68 Ų6865.8 Ų65.844%0.44237%0.365SS..Hα-helixtrans-61.4-35.4175.1-2737.9000113.8L6 L7 I13 A14L6-P10 WeakPolarHBondContact O-CD 3.37Å; L6-P10 WeakPolarHBondContact O-CG 3.45Å; L7-P10 WeakPolarHBondContact O-CD 3.32Å; P10-I13 PolarHBondContact O-N 3.34Å; P10-A14 VanDerWaalsContact O-CB 3.29Å; P10-A14 WeakPolarHBondContact O-CB 3.33Å; P10-A14 PolarHBondContact O-N 3.3Å
11I94.3Very high88.7Confident12 Ų1265.4 Ų65.46%0.06236%0.364CS..Hα-helixtrans-63.7-45.1177.6-67.8163.4000110.9L7 I8 V9 I13 A14 M15 L81 W84 T227L7-I11 HydrophobicContact CD1-CD1 3.87Å; L7-I11 HydrophobicContact CG-CD1 3.71Å; L7-I11 WeakPolarHBondContact O-CD1 3.15Å; L7-I11 WeakPolarHBondContact O-CG1 2.94Å; L7-I11 PolarHBondContact O-N 3.11Å; I8-I11 PolarHBondContact O-N 3.01Å; V9-I11 VanDerWaalsContact C-N 3.31Å; V9-I11 PolarHBondContact O-N 3.35Å; I11-I13 VanDerWaalsContact C-N 3.32Å; I11-I13 PolarHBondContact O-N 2.95Å; I11-A14 PolarHBondContact O-N 2.86Å; I11-M15 WeakPolarHBondContact O-CB 3.37Å; I11-M15 PolarHBondContact O-N 2.91Å; I11-L81 HydrophobicContact CG2-CD2 4.37Å; I11-W84 HydrophobicContact CD1-CB 3.88Å; I11-W84 HydrophobicContact CD1-CD2 3.45Å; I11-W84 VanDerWaalsContact CD1-CD2 3.45Å; I11-W84 HydrophobicContact CD1-CE3 3.68Å; I11-W84 HydrophobicContact CD1-CG 3.54Å; I11-W84 HydrophobicContact CD1-CZ3 4.35Å; I11-W84 HydrophobicContact CG1-CD2 4.06Å; I11-W84 HydrophobicContact CG1-CE3 4.05Å; I11-W84 HydrophobicContact CG1-CH2 4.39Å; I11-W84 HydrophobicContact CG1-CZ2 4.44Å; I11-W84 HydrophobicContact CG1-CZ3 4.22Å; I11-W84 HydrophobicContact CG2-CD2 4.44Å; I11-W84 HydrophobicContact CG2-CZ2 3.92Å; I11-T227 HydrophobicContact CG2-CG2 3.93Å
12L93.8Very high90.9Very high56 Ų5654.5 Ų54.529%0.29331%0.31SS..Hα-helixtrans-64.9-37.7177.6-68.4175000111.7I8 V9 M15 A16I8-L12 HydrophobicContact CG2-CD1 3.89Å; I8-L12 HydrophobicContact CG2-CG 4.27Å; I8-L12 WeakPolarHBondContact O-CG 3.19Å; I8-L12 PolarHBondContact O-N 2.88Å; V9-L12 PolarHBondContact O-N 3.14Å; L12-M15 HydrophobicContact CB-CE 4.46Å; L12-M15 HydrophobicContact CD2-CE 3.86Å; L12-M15 WeakPolarHBondContact O-CE 3.36Å; L12-A16 PolarHBondContact O-N 3.07Å
13I95Very high92.6Very high79 Ų7955.7 Ų55.741%0.40530%0.299SS..Hα-helixtrans-65.7-44.7174.1-65.8167.2000110.6V9 P10 I11 M15 A16 F17V9-I13 HydrophobicContact CG1-CD1 3.81Å; V9-I13 WeakPolarHBondContact O-CG1 3.43Å; V9-I13 PolarHBondContact O-N 2.66Å; V9-I13 VanDerWaalsContact O-N 3.07Å; P10-I13 PolarHBondContact O-N 3.34Å; I11-I13 VanDerWaalsContact C-N 3.32Å; I11-I13 PolarHBondContact O-N 2.95Å; I13-M15 VanDerWaalsContact C-N 3.34Å; I13-M15 PolarHBondContact O-N 3.22Å; I13-A16 WeakPolarHBondContact O-CB 3.07Å; I13-A16 PolarHBondContact O-N 3.35Å; I13-F17 HydrophobicContact CG2-CD2 3.73Å; I13-F17 HydrophobicContact CG2-CE2 3.7Å; I13-F17 VanDerWaalsContact O-CD2 3.3Å; I13-F17 WeakPolarHBondContact O-CD2 3.3Å; I13-F17 PolarHBondContact O-N 3.11Å
14A94.5Very high93.1Very high45 Ų4552.9 Ų52.937%0.37228%0.282SS..Hα-helixtrans-60.8-43.317800000111.5P10 I11 A16 F17 L18 I230P10-A14 VanDerWaalsContact O-CB 3.29Å; P10-A14 WeakPolarHBondContact O-CB 3.33Å; P10-A14 PolarHBondContact O-N 3.3Å; I11-A14 PolarHBondContact O-N 2.86Å; A14-A16 PolarHBondContact O-N 3.46Å; A14-F17 PolarHBondContact O-N 3.47Å; A14-L18 WeakPolarHBondContact O-CB 3.23Å; A14-L18 PolarHBondContact O-N 3.37Å; A14-I230 HydrophobicContact CB-CD1 4.25Å
15M94.9Very high93.4Very high5 Ų550.4 Ų50.43%0.02527%0.269CS..Hα-helixtrans-59.2-45.1173.1167.3-84.2-64.600111.8I11 L12 I13 F17 L18 M19 M223 Y226 T227 I230I11-M15 WeakPolarHBondContact O-CB 3.37Å; I11-M15 PolarHBondContact O-N 2.91Å; L12-M15 HydrophobicContact CB-CE 4.46Å; L12-M15 HydrophobicContact CD2-CE 3.86Å; L12-M15 WeakPolarHBondContact O-CE 3.36Å; I13-M15 VanDerWaalsContact C-N 3.34Å; I13-M15 PolarHBondContact O-N 3.22Å; M15-F17 VanDerWaalsContact C-N 3.33Å; M15-F17 PolarHBondContact O-N 3.4Å; M15-L18 PolarHBondContact O-N 3Å; M15-L18 VanDerWaalsContact O-N 3.14Å; M15-M19 PolarHBondContact O-N 3.03Å; M15-M19 HydrophobicContact SD-CE 3.89Å; M15-M223 HydrophobicContact CE-CB 3.74Å; M15-M223 HydrophobicContact CE-CG 3.33Å; M15-M223 HydrophobicContact CE-SD 3.71Å; M15-M223 HydrophobicContact SD-CB 4.3Å; M15-M223 HydrophobicContact SD-CG 3.85Å; M15-Y226 VanDerWaalsContact CG-CB 3.5Å; M15-Y226 HydrophobicContact CG-CG 4.49Å; M15-T227 HydrophobicContact CB-CG2 3.95Å; M15-T227 HydrophobicContact CG-CG2 4.09Å; M15-I230 HydrophobicContact CB-CD1 4.39Å
16A93.8Very high93.5Very high18 Ų1846 Ų4615%0.14925%0.246CC..Hα-helixtrans-60.8-43.3179.100000111.9L12 I13 A14 M19 P46L12-A16 PolarHBondContact O-N 3.07Å; I13-A16 WeakPolarHBondContact O-CB 3.07Å; I13-A16 PolarHBondContact O-N 3.35Å; A14-A16 PolarHBondContact O-N 3.46Å; A16-M19 HydrophobicContact CB-CE 4.44Å; A16-M19 PolarHBondContact O-N 2.94Å; A16-P46 HydrophobicContact CB-CB 3.9Å; A16-P46 VanDerWaalsContact O-CB 3.3Å; A16-P46 WeakPolarHBondContact O-CB 3.38Å; A16-P46 VanDerWaalsContact O-CG 3.23Å; A16-P46 WeakPolarHBondContact O-CG 3.45Å
17F94.9Very high93.6Very high73 Ų7340 Ų4032%0.3221%0.214SC..Hα-helixtrans-72.4-28.2175.8-77.5-69.3000113.3I13 A14 M15 M19 L20 T21 L43 P46 F47I13-F17 HydrophobicContact CG2-CD2 3.73Å; I13-F17 HydrophobicContact CG2-CE2 3.7Å; I13-F17 VanDerWaalsContact O-CD2 3.3Å; I13-F17 WeakPolarHBondContact O-CD2 3.3Å; I13-F17 PolarHBondContact O-N 3.11Å; A14-F17 PolarHBondContact O-N 3.47Å; M15-F17 VanDerWaalsContact C-N 3.33Å; M15-F17 PolarHBondContact O-N 3.4Å; F17-M19 VanDerWaalsContact C-N 3.27Å; F17-M19 PolarHBondContact O-N 2.95Å; F17-L20 WeakPolarHBondContact O-CB 3.3Å; F17-L20 PolarHBondContact O-N 3.19Å; F17-T21 WeakPolarHBondContact O-CG2 3.49Å; F17-T21 PolarHBondContact O-N 3.35Å; F17-L43 HydrophobicContact CE1-CD2 4.08Å; F17-P46 HydrophobicContact CD1-CG 4.49Å; F17-F47 HydrophobicContact CZ-CE2 4.21Å
18L94.6Very high93.8Very high14 Ų1444.7 Ų44.77%0.07323%0.231CC..Hα-helixtrans-63.5-34.9174.9-173.7146.3000111.7A14 M15 L20 T21 E22 Y226 I230 T265A14-L18 WeakPolarHBondContact O-CB 3.23Å; A14-L18 PolarHBondContact O-N 3.37Å; M15-L18 PolarHBondContact O-N 3Å; M15-L18 VanDerWaalsContact O-N 3.14Å; L18-L20 VanDerWaalsContact C-N 3.27Å; L18-L20 PolarHBondContact O-N 3.48Å; L18-T21 WeakPolarHBondContact CA-OG1 3.46Å; L18-T21 PolarHBondContact O-N 3.2Å; L18-T21 PolarHBondContact O-OG1 3.41Å; L18-E22 VanDerWaalsContact O-CB 3.28Å; L18-E22 WeakPolarHBondContact O-CB 3.44Å; L18-E22 PolarHBondContact O-N 3.45Å; L18-Y226 HydrophobicContact CD2-CD1 3.21Å; L18-Y226 HydrophobicContact CD2-CE1 3.54Å; L18-Y226 HydrophobicContact CD2-CG 4.27Å; L18-I230 HydrophobicContact CB-CD1 4.33Å; L18-I230 HydrophobicContact CD1-CD1 3.89Å; L18-I230 HydrophobicContact CD1-CG1 3.49Å; L18-I230 VanDerWaalsContact CD1-CG1 3.49Å; L18-T265 HydrophobicContact CD1-CG2 4.36Å
19M92.1Very high93.8Very high38 Ų3846.7 Ų46.719%0.18724%0.24CC..Hα-helixtrans-60.6-38171.9-65-169.4-80.700112.4M15 A16 F17 R23 Y226M15-M19 PolarHBondContact O-N 3.03Å; M15-M19 HydrophobicContact SD-CE 3.89Å; A16-M19 HydrophobicContact CB-CE 4.44Å; A16-M19 PolarHBondContact O-N 2.94Å; F17-M19 VanDerWaalsContact C-N 3.27Å; F17-M19 PolarHBondContact O-N 2.95Å; M19-R23 WeakPolarHBondContact O-CG 3.3Å; M19-R23 PolarHBondContact O-N 3.07Å; M19-Y226 HydrophobicContact CG-CD1 4.49Å; M19-Y226 HydrophobicContact CG-CD2 3.78Å; M19-Y226 HydrophobicContact CG-CE1 4.22Å; M19-Y226 HydrophobicContact CG-CE2 3.59Å; M19-Y226 HydrophobicContact CG-CG 4.26Å; M19-Y226 HydrophobicContact SD-CD2 4.13Å; M19-Y226 HydrophobicContact SD-CE2 3.95Å
20L94.6Very high93.8Very high10 Ų1048.3 Ų48.35%0.05224%0.243CC..Hα-helixtrans-71.4-43.8176.6173.7149.6000111.9F17 L18 E22 R23 K24 G42 Q45 P46F17-L20 WeakPolarHBondContact O-CB 3.3Å; F17-L20 PolarHBondContact O-N 3.19Å; L18-L20 VanDerWaalsContact C-N 3.27Å; L18-L20 PolarHBondContact O-N 3.48Å; L20-E22 VanDerWaalsContact C-N 3.31Å; L20-E22 PolarHBondContact O-N 3.36Å; L20-R23 PolarHBondContact O-N 2.78Å; L20-K24 HydrophobicContact CD2-CD 3.91Å; L20-K24 HydrophobicContact CD2-CG 4.5Å; L20-K24 PolarHBondContact O-N 3.17Å; L20-G42 WeakPolarHBondContact CD1-O 3.26Å; L20-Q45 HydrophobicContact CD1-CB 4.33Å; L20-P46 HydrophobicContact CB-CG 3.88Å; L20-P46 HydrophobicContact CD1-CG 4.2Å
21T93.7Very high93.8Very high58 Ų5853.3 Ų53.336%0.35627%0.265SS..Hα-helixtrans-63.8-40.917958.90000110.5F17 L18 R23 K24 I25F17-T21 WeakPolarHBondContact O-CG2 3.49Å; F17-T21 PolarHBondContact O-N 3.35Å; L18-T21 WeakPolarHBondContact CA-OG1 3.46Å; L18-T21 PolarHBondContact O-N 3.2Å; L18-T21 PolarHBondContact O-OG1 3.41Å; T21-R23 PolarHBondContact O-N 2.73Å; T21-K24 PolarHBondContact O-N 3.45Å; T21-I25 WeakPolarHBondContact O-CB 3.32Å; T21-I25 VanDerWaalsContact O-CG1 3.31Å; T21-I25 WeakPolarHBondContact O-CG1 3.49Å; T21-I25 PolarHBondContact O-N 3.46Å
22E93.6Very high93.9Very high10 Ų1059.2 Ų59.25%0.04729%0.286CS..Hα-helixtrans-53.3-55.1172.5173.5169.8137.900111.4L18 L20 K24 I25 L26 R193 Y226 L269 R272L18-E22 VanDerWaalsContact O-CB 3.28Å; L18-E22 WeakPolarHBondContact O-CB 3.44Å; L18-E22 PolarHBondContact O-N 3.45Å; L20-E22 VanDerWaalsContact C-N 3.31Å; L20-E22 PolarHBondContact O-N 3.36Å; E22-K24 VanDerWaalsContact C-N 3.27Å; E22-K24 PolarHBondContact O-N 3.02Å; E22-I25 PolarHBondContact O-N 3.07Å; E22-L26 HydrophobicContact CG-CD1 3.48Å; E22-L26 VanDerWaalsContact CG-CD1 3.48Å; E22-L26 HydrophobicContact CG-CG 4.33Å; E22-L26 VanDerWaalsContact O-CB 3.26Å; E22-L26 WeakPolarHBondContact O-CB 3.47Å; E22-L26 WeakPolarHBondContact O-CD1 3.44Å; E22-L26 VanDerWaalsContact O-CG 3.28Å; E22-L26 WeakPolarHBondContact O-CG 3.28Å; E22-L26 PolarHBondContact O-N 3.4Å; E22-R193 IonicContact OE1-NH2 3.16Å; E22-R193 IonicContact OE2-CZ 3.24Å; E22-R193 IonicContact OE2-NH2 3.96Å; E22-R193 PolarHBondContact OE2-NH2 2.83Å; E22-Y226 PolarHBondContact OE1-OH 3.16Å; E22-Y226 VanDerWaalsContact OE2-CE1 3.28Å; E22-Y226 WeakPolarHBondContact OE2-CE1 3.42Å; E22-Y226 PolarHBondContact OE2-OH 3.06Å; E22-L269 HydrophobicContact CB-CD1 4.29Å; E22-L269 HydrophobicContact CB-CD2 3.67Å; E22-L269 HydrophobicContact CG-CD2 3.69Å; E22-L269 WeakPolarHBondContact OE2-CD2 3.37Å; E22-R272 VanDerWaalsContact CD-NH1 3.28Å; E22-R272 IonicContact OE1-CZ 2.78Å; E22-R272 IonicContact OE1-NH1 2.84Å; E22-R272 PolarHBondContact OE1-NH1 3.16Å; E22-R272 IonicContact OE1-NH2 2.73Å; E22-R272 IonicContact OE2-NH1 2.85Å
23R93.4Very high93.8Very high99 Ų9964.1 Ų64.137%0.37431%0.305SS..Hα-helixtrans-61.8-33.6-179.3-70.7-177.9-177.1166.311.3113.1M19 L20 T21 G27 P35 D49M19-R23 WeakPolarHBondContact O-CG 3.3Å; M19-R23 PolarHBondContact O-N 3.07Å; L20-R23 PolarHBondContact O-N 2.78Å; T21-R23 PolarHBondContact O-N 2.73Å; R23-G27 PolarHBondContact O-N 3.02Å; R23-G27 VanDerWaalsContact O-N 3.08Å; R23-P35 HydrophobicContact CB-CG 3.93Å; R23-D49 IonicContact CZ-OD2 2.84Å; R23-D49 IonicContact NH1-OD1 2.67Å; R23-D49 IonicContact NH1-OD2 3.59Å; R23-D49 PolarHBondContact NH1-OD2 2.84Å; R23-D49 IonicContact NH2-OD2 3.65Å; R23-D49 PolarHBondContact NH2-OD2 3.27Å
24K93.4Very high93.7Very high38 Ų3860.8 Ų60.817%0.16529%0.291CS..Hα-helixtrans-73.1-48.8177-77-172.2175.8-179.60112.1L20 T21 E22 G27 Y28 Y41L20-K24 HydrophobicContact CD2-CD 3.91Å; L20-K24 HydrophobicContact CD2-CG 4.5Å; L20-K24 PolarHBondContact O-N 3.17Å; T21-K24 PolarHBondContact O-N 3.45Å; E22-K24 VanDerWaalsContact C-N 3.27Å; E22-K24 PolarHBondContact O-N 3.02Å; K24-G27 PolarHBondContact O-N 3.34Å; K24-G27 VanDerWaalsContact O-N 3.17Å; K24-Y28 HydrophobicContact CB-CE2 4.4Å; K24-Y28 WeakPolarHBondContact O-CD2 3.41Å; K24-Y28 PolarHBondContact O-N 3.01Å; K24-Y41 WeakPolarHBondContact CE-O 3.46Å; K24-Y41 PolarHBondContact NZ-O 3.23Å
25I93.5Very high93.6Very high47 Ų4760 Ų6024%0.24128%0.282CS..Hα-helixtrans-61.3-48.5-179.9-70.4167000109.8T21 E22 G27 Y28 M29 L269T21-I25 WeakPolarHBondContact O-CB 3.32Å; T21-I25 VanDerWaalsContact O-CG1 3.31Å; T21-I25 WeakPolarHBondContact O-CG1 3.49Å; T21-I25 PolarHBondContact O-N 3.46Å; E22-I25 PolarHBondContact O-N 3.07Å; I25-G27 VanDerWaalsContact C-N 3.3Å; I25-G27 PolarHBondContact O-N 3.32Å; I25-Y28 PolarHBondContact O-N 2.98Å; I25-M29 HydrophobicContact CG2-CE 3.54Å; I25-M29 HydrophobicContact CG2-CG 4.47Å; I25-M29 HydrophobicContact CG2-SD 3.6Å; I25-M29 WeakPolarHBondContact O-CB 3.5Å; I25-M29 WeakPolarHBondContact O-CG 3.2Å; I25-M29 PolarHBondContact O-N 3.24Å; I25-L269 HydrophobicContact CD1-CD1 3.65Å; I25-L269 HydrophobicContact CG2-CB 4.25Å
26L92.2Very high93.5Very high20 Ų2062.2 Ų62.211%0.10529%0.294CS..Hα-helixtrans-55.3-45.5172.8-76.1164.3000111.7E22 Q30 R272 T273E22-L26 HydrophobicContact CG-CD1 3.48Å; E22-L26 VanDerWaalsContact CG-CD1 3.48Å; E22-L26 HydrophobicContact CG-CG 4.33Å; E22-L26 VanDerWaalsContact O-CB 3.26Å; E22-L26 WeakPolarHBondContact O-CB 3.47Å; E22-L26 WeakPolarHBondContact O-CD1 3.44Å; E22-L26 VanDerWaalsContact O-CG 3.28Å; E22-L26 WeakPolarHBondContact O-CG 3.28Å; E22-L26 PolarHBondContact O-N 3.4Å; L26-Q30 VanDerWaalsContact O-CB 3.29Å; L26-Q30 WeakPolarHBondContact O-CB 3.38Å; L26-Q30 WeakPolarHBondContact O-CG 3.4Å; L26-Q30 PolarHBondContact O-N 3.36Å; L26-R272 HydrophobicContact CD2-CG 4.1Å; L26-T273 HydrophobicContact CD2-CG2 3.29Å; L26-T273 HydrophobicContact CG-CG2 4.22Å
27G92.6Very high93.4Very high0 Ų068 Ų680%033%0.327CS..Hα-helixtrans-56.9-55.9177.900000111.6R23 K24 I25 M29 Q30 L31 R32R23-G27 PolarHBondContact O-N 3.02Å; R23-G27 VanDerWaalsContact O-N 3.08Å; K24-G27 PolarHBondContact O-N 3.34Å; K24-G27 VanDerWaalsContact O-N 3.17Å; I25-G27 VanDerWaalsContact C-N 3.3Å; I25-G27 PolarHBondContact O-N 3.32Å; G27-M29 VanDerWaalsContact C-N 3.35Å; G27-M29 PolarHBondContact O-N 3.38Å; G27-Q30 CarbonylContact O-C 3.58Å; G27-Q30 WeakPolarHBondContact O-CA 3.07Å; G27-Q30 PolarHBondContact O-N 3.07Å; G27-Q30 VanDerWaalsContact O-N 3.08Å; G27-L31 PolarHBondContact O-N 2.66Å; G27-R32 CarbonylContact C-O 3.37Å; G27-R32 CarbonylContact O-C 3.38Å; G27-R32 WeakPolarHBondContact O-CG 3.29Å; G27-R32 PolarHBondContact O-N 3.22Å
28Y94Very high93.1Very high138 Ų13867.3 Ų67.354%0.54133%0.329SS..Hα-helixtrans-63.3-39-177.1-73.6-64.3000112.7K24 I25 Q30 L31 R32K24-Y28 HydrophobicContact CB-CE2 4.4Å; K24-Y28 WeakPolarHBondContact O-CD2 3.41Å; K24-Y28 PolarHBondContact O-N 3.01Å; I25-Y28 PolarHBondContact O-N 2.98Å; Y28-Q30 VanDerWaalsContact C-N 3.27Å; Y28-Q30 PolarHBondContact O-N 3.34Å; Y28-L31 PolarHBondContact O-N 3.28Å; Y28-L31 VanDerWaalsContact O-N 3.16Å; Y28-R32 PolarHBondContact N-O 3.45Å
29M93Very high93Very high84 Ų8468 Ų6841%0.41434%0.339SS..Hα-helixtrans-65.7-30.8175.4-71.3172.9173.400112.3I25 G27 L31 W270 T273I25-M29 HydrophobicContact CG2-CE 3.54Å; I25-M29 HydrophobicContact CG2-CG 4.47Å; I25-M29 HydrophobicContact CG2-SD 3.6Å; I25-M29 WeakPolarHBondContact O-CB 3.5Å; I25-M29 WeakPolarHBondContact O-CG 3.2Å; I25-M29 PolarHBondContact O-N 3.24Å; G27-M29 VanDerWaalsContact C-N 3.35Å; G27-M29 PolarHBondContact O-N 3.38Å; M29-L31 VanDerWaalsContact C-N 3.3Å; M29-L31 PolarHBondContact O-N 3.21Å; M29-W270 HydrophobicContact CE-CB 3.81Å; M29-W270 HydrophobicContact CE-CG 3.82Å; M29-T273 HydrophobicContact CB-CG2 3.94Å; M29-T273 HydrophobicContact CG-CG2 4.36Å; M29-T273 HydrophobicContact SD-CG2 3.5Å; M29-T273 VanDerWaalsContact SD-CG2 3.5Å; M29-T273 PolarHBondContact SD-OG1 3.21Å
30Q93.7Very high92.9Very high102 Ų10270.3 Ų70.348%0.47736%0.356SS..THydrogen-bonded Turntrans-89.415.7175.2-66.4172.7-7.500113.4L26 G27 Y28 R32L26-Q30 VanDerWaalsContact O-CB 3.29Å; L26-Q30 WeakPolarHBondContact O-CB 3.38Å; L26-Q30 WeakPolarHBondContact O-CG 3.4Å; L26-Q30 PolarHBondContact O-N 3.36Å; G27-Q30 CarbonylContact O-C 3.58Å; G27-Q30 WeakPolarHBondContact O-CA 3.07Å; G27-Q30 PolarHBondContact O-N 3.07Å; G27-Q30 VanDerWaalsContact O-N 3.08Å; Y28-Q30 VanDerWaalsContact C-N 3.27Å; Y28-Q30 PolarHBondContact O-N 3.34Å; Q30-R32 HydrophobicContact CB-CG 4.24Å; Q30-R32 PolarHBondContact O-N 2.71Å
31L94.7Very high92.8Very high173 Ų17378.4 Ų78.491%0.90639%0.388SS*.THydrogen-bonded Turntrans5729.8-178.7-60171.7000114.4G27 Y28 M29G27-L31 PolarHBondContact O-N 2.66Å; Y28-L31 PolarHBondContact O-N 3.28Å; Y28-L31 VanDerWaalsContact O-N 3.16Å; M29-L31 VanDerWaalsContact C-N 3.3Å; M29-L31 PolarHBondContact O-N 3.21Å
32R95.1Very high92.7Very high136 Ų13675.7 Ų75.751%0.51337%0.371SS..SBendtrans-127.8167.3173.765.7-177.5178.797.9-0.6111.4G27 Y28 Q30G27-R32 CarbonylContact C-O 3.37Å; G27-R32 CarbonylContact O-C 3.38Å; G27-R32 WeakPolarHBondContact O-CG 3.29Å; G27-R32 PolarHBondContact O-N 3.22Å; Y28-R32 PolarHBondContact N-O 3.45Å; Q30-R32 HydrophobicContact CB-CG 4.24Å; Q30-R32 PolarHBondContact O-N 2.71Å
33K91.8Very high92.7Very high159 Ų15979.2 Ų79.269%0.69139%0.39SS*.  trans-85.8141.9174.6-67.3-178.6-178.5178.50110.3
34G93.4Very high92.7Very high10 Ų1078.9 Ų78.910%0.10340%0.395CS..  trans-73-173.7165.300000112.4N36G34-N36 PolarHBondContact O-N 3.41Å; G34-N36 VanDerWaalsContact O-N 3.14Å
35P91.8Very high92.8Very high27 Ų2778.5 Ų78.518%0.17539%0.394CS..SBendtrans-58.4117.3177.6-20.931.7000111.2R23 G42 Q45R23-P35 HydrophobicContact CB-CG 3.93Å; P35-G42 WeakPolarHBondContact O-CA 3.43Å; P35-Q45 HydrophobicContact CB-CB 4.43Å; P35-Q45 HydrophobicContact CB-CG 4.11Å; P35-Q45 HydrophobicContact CG-CG 4.4Å
36N93.3Very high92.7Very high53 Ų5376.5 Ų76.528%0.28338%0.384SS..  trans-129-3.7-179.3-75.9-15.5000113.6G34G34-N36 PolarHBondContact O-N 3.41Å; G34-N36 VanDerWaalsContact O-N 3.14Å
37V91.7Very high92.7Very high140 Ų14081.1 Ų81.185%0.84840%0.403SS*.SBendtrans-95-43.1-172.6-178.30000112.5G39V37-G39 PolarHBondContact O-N 3.2Å
38V89.6Confident92.7Very high58 Ų5883 Ų8335%0.35242%0.419SS..SBendtrans-77.387.7-178.2-176.20000109.6G42 L44 Q45 A48V38-G42 CarbonylContact O-C 2.84Å; V38-G42 WeakPolarHBondContact O-CA 3.28Å; V38-L44 HydrophobicContact CG1-CB 4.21Å; V38-L44 PolarHBondContact O-N 3.16Å; V38-Q45 VanDerWaalsContact CG2-OE1 3.28Å; V38-A48 HydrophobicContact CG1-CB 3.95Å
39G91.6Very high92.6Very high27 Ų2777.8 Ų77.828%0.27840%0.4SS..SBendtrans83.8173.1-175.800000114V37 Y41 G42V37-G39 PolarHBondContact O-N 3.2Å; G39-Y41 PolarHBondContact O-N 3.49Å; G39-Y41 VanDerWaalsContact O-N 3.17Å; G39-G42 PolarHBondContact O-N 2.88Å
40P91.1Very high92.5Very high87 Ų8775.7 Ų75.757%0.56540%0.396SS*.G310 helixtrans-61.3120.3-179.125.6-33000109.9G42 L43P40-G42 PolarHBondContact O-N 2.93Å; P40-G42 VanDerWaalsContact O-N 3.07Å; P40-L43 HydrophobicContact CG-CD1 4.47Å; P40-L43 WeakPolarHBondContact O-CG 3.31Å; P40-L43 PolarHBondContact O-N 3.17Å; P40-L43 VanDerWaalsContact O-N 3.14Å
41Y90.9Very high92.4Very high181 Ų18177.3 Ų77.371%0.7141%0.405SS*.G310 helixtrans50.330.3-172.8-59.3-79.4000113.7K24 G39 L43K24-Y41 WeakPolarHBondContact CE-O 3.46Å; K24-Y41 PolarHBondContact NZ-O 3.23Å; G39-Y41 PolarHBondContact O-N 3.49Å; G39-Y41 VanDerWaalsContact O-N 3.17Å; Y41-L43 VanDerWaalsContact C-N 3.31Å; Y41-L43 PolarHBondContact O-N 3.08Å
42G92.1Very high92.3Very high0 Ų075.6 Ų75.60%039%0.391CS..G310 helixtrans766.5178.200000116L20 P35 V38 G39 P40 L44 Q45L20-G42 WeakPolarHBondContact CD1-O 3.26Å; P35-G42 WeakPolarHBondContact O-CA 3.43Å; V38-G42 CarbonylContact O-C 2.84Å; V38-G42 WeakPolarHBondContact O-CA 3.28Å; G39-G42 PolarHBondContact O-N 2.88Å; P40-G42 PolarHBondContact O-N 2.93Å; P40-G42 VanDerWaalsContact O-N 3.07Å; G42-L44 PolarHBondContact O-N 3.31Å; G42-Q45 WeakPolarHBondContact O-CB 3.39Å; G42-Q45 PolarHBondContact O-N 3.28Å
43L93.3Very high92.1Very high84 Ų8471.3 Ų71.344%0.4438%0.378SS..THydrogen-bonded Turntrans-55.3-25.7-174.5-75.7171.3000114.5F17 P40 Y41 P46F17-L43 HydrophobicContact CE1-CD2 4.08Å; P40-L43 HydrophobicContact CG-CD1 4.47Å; P40-L43 WeakPolarHBondContact O-CG 3.31Å; P40-L43 PolarHBondContact O-N 3.17Å; P40-L43 VanDerWaalsContact O-N 3.14Å; Y41-L43 VanDerWaalsContact C-N 3.31Å; Y41-L43 PolarHBondContact O-N 3.08Å; L43-P46 WeakPolarHBondContact O-CD 3.32Å
44L94.5Very high92Very high92 Ų9269.7 Ų69.748%0.48237%0.371SS..THydrogen-bonded Turntrans-87.9-3.1179.2-64.3175000113.5V38 G42 F47 A48V38-L44 HydrophobicContact CG1-CB 4.21Å; V38-L44 PolarHBondContact O-N 3.16Å; G42-L44 PolarHBondContact O-N 3.31Å; L44-F47 HydrophobicContact CD2-CD2 4.32Å; L44-F47 PolarHBondContact O-N 3.41Å; L44-A48 PolarHBondContact O-N 3.37Å; L44-A48 VanDerWaalsContact O-N 3.11Å
45Q94.1Very high92Very high31 Ų3174.1 Ų74.115%0.14540%0.396CS..Hα-helixtrans-56.8-45.2-179.4-173.771.845.500113.7L20 P35 V38 G42 F47 A48 D49L20-Q45 HydrophobicContact CD1-CB 4.33Å; P35-Q45 HydrophobicContact CB-CB 4.43Å; P35-Q45 HydrophobicContact CB-CG 4.11Å; P35-Q45 HydrophobicContact CG-CG 4.4Å; V38-Q45 VanDerWaalsContact CG2-OE1 3.28Å; G42-Q45 WeakPolarHBondContact O-CB 3.39Å; G42-Q45 PolarHBondContact O-N 3.28Å; Q45-F47 VanDerWaalsContact C-N 3.28Å; Q45-F47 PolarHBondContact O-N 3.08Å; Q45-A48 PolarHBondContact O-N 3.01Å; Q45-D49 PolarHBondContact NE2-OD1 3.34Å; Q45-D49 PolarHBondContact O-N 3.32Å
46P93Very high92Very high5 Ų578.5 Ų78.53%0.03241%0.413CS..Hα-helixtrans-62.5-36.9-178.9-23.636000112.8A16 F17 L20 L43 D49 A50A16-P46 HydrophobicContact CB-CB 3.9Å; A16-P46 VanDerWaalsContact O-CB 3.3Å; A16-P46 WeakPolarHBondContact O-CB 3.38Å; A16-P46 VanDerWaalsContact O-CG 3.23Å; A16-P46 WeakPolarHBondContact O-CG 3.45Å; F17-P46 HydrophobicContact CD1-CG 4.49Å; L20-P46 HydrophobicContact CB-CG 3.88Å; L20-P46 HydrophobicContact CD1-CG 4.2Å; L43-P46 WeakPolarHBondContact O-CD 3.32Å; P46-D49 PolarHBondContact O-N 2.91Å; P46-A50 WeakPolarHBondContact O-CB 3.38Å; P46-A50 PolarHBondContact O-N 3.23Å
47F91.8Very high91.8Very high116 Ų11683 Ų8351%0.50943%0.432SS..Hα-helixtrans-69.4-39.3177.2-63-72.4000111.8F17 L44 Q45 A50 M51F17-F47 HydrophobicContact CZ-CE2 4.21Å; L44-F47 HydrophobicContact CD2-CD2 4.32Å; L44-F47 PolarHBondContact O-N 3.41Å; Q45-F47 VanDerWaalsContact C-N 3.28Å; Q45-F47 PolarHBondContact O-N 3.08Å; F47-A50 PolarHBondContact O-N 3.05Å; F47-M51 WeakPolarHBondContact O-CB 3.29Å; F47-M51 PolarHBondContact O-N 3.25Å
48A92.9Very high91.5Very high40 Ų4079.6 Ų79.633%0.33141%0.413SS..Hα-helixtrans-64.3-41.6174.700000112.1V38 L44 Q45 K52V38-A48 HydrophobicContact CG1-CB 3.95Å; L44-A48 PolarHBondContact O-N 3.37Å; L44-A48 VanDerWaalsContact O-N 3.11Å; Q45-A48 PolarHBondContact O-N 3.01Å; A48-K52 VanDerWaalsContact O-CB 3.32Å; A48-K52 WeakPolarHBondContact O-CB 3.43Å; A48-K52 PolarHBondContact O-N 2.93Å
49D90.8Very high91.2Very high29 Ų2981.8 Ų81.816%0.15542%0.422CS..Hα-helixtrans-65.8-43.5176.8-73.7-0.7000111.3R23 Q45 P46 K52 L53R23-D49 IonicContact CZ-OD2 2.84Å; R23-D49 IonicContact NH1-OD1 2.67Å; R23-D49 IonicContact NH1-OD2 3.59Å; R23-D49 PolarHBondContact NH1-OD2 2.84Å; R23-D49 IonicContact NH2-OD2 3.65Å; R23-D49 PolarHBondContact NH2-OD2 3.27Å; Q45-D49 PolarHBondContact NE2-OD1 3.34Å; Q45-D49 PolarHBondContact O-N 3.32Å; P46-D49 PolarHBondContact O-N 2.91Å; D49-K52 PolarHBondContact O-N 3.14Å; D49-L53 WeakPolarHBondContact O-CG 3.28Å; D49-L53 PolarHBondContact O-N 2.91Å
50A90.8Very high90.8Very high40 Ų4086.7 Ų86.733%0.33144%0.436SS..Hα-helixtrans-60.4-50.517500000111.4P46 F47 K52 L53 F54P46-A50 WeakPolarHBondContact O-CB 3.38Å; P46-A50 PolarHBondContact O-N 3.23Å; F47-A50 PolarHBondContact O-N 3.05Å; A50-K52 VanDerWaalsContact C-N 3.31Å; A50-K52 PolarHBondContact O-N 2.86Å; A50-L53 PolarHBondContact O-N 3.49Å; A50-F54 HydrophobicContact CB-CE2 4.43Å; A50-F54 WeakPolarHBondContact O-CD2 3.12Å; A50-F54 PolarHBondContact O-N 3.33Å
51M91.9Very high90.4Very high135 Ų13583.7 Ų83.767%0.66542%0.416SS*.Hα-helixtrans-58.1-45.5178.8-171.2176.4-176.900111F47 L53 F54 T55F47-M51 WeakPolarHBondContact O-CB 3.29Å; F47-M51 PolarHBondContact O-N 3.25Å; M51-L53 PolarHBondContact O-N 3.49Å; M51-F54 PolarHBondContact O-N 2.89Å; M51-T55 HydrophobicContact CG-CG2 4.26Å; M51-T55 WeakPolarHBondContact O-CB 3.2Å; M51-T55 VanDerWaalsContact O-CG2 3.29Å; M51-T55 WeakPolarHBondContact O-CG2 3.21Å; M51-T55 PolarHBondContact O-N 3.14Å; M51-T55 PolarHBondContact O-OG1 3.38Å
52K92.4Very high89.8Confident138 Ų13880.4 Ų80.460%0.643%0.426SS*.Hα-helixtrans-56.4-49176.4177.6-174.1175.2-174.70111.9A48 D49 A50 F54 T55 K56A48-K52 VanDerWaalsContact O-CB 3.32Å; A48-K52 WeakPolarHBondContact O-CB 3.43Å; A48-K52 PolarHBondContact O-N 2.93Å; D49-K52 PolarHBondContact O-N 3.14Å; A50-K52 VanDerWaalsContact C-N 3.31Å; A50-K52 PolarHBondContact O-N 2.86Å; K52-F54 VanDerWaalsContact C-N 3.34Å; K52-F54 PolarHBondContact O-N 3.21Å; K52-T55 PolarHBondContact O-N 3.11Å; K52-T55 PolarHBondContact O-OG1 2.8Å; K52-T55 VanDerWaalsContact O-OG1 3.12Å; K52-K56 WeakPolarHBondContact O-CB 3.14Å; K52-K56 PolarHBondContact O-N 3.26Å; K52-K56 VanDerWaalsContact O-N 3.11Å
53L90.8Very high89.3Confident46 Ų4684.7 Ų84.724%0.24145%0.452CS..Hα-helixtrans-66.5-35.2-177-72171.3000112.4D49 A50 M51 A215 G216 F218 A219D49-L53 WeakPolarHBondContact O-CG 3.28Å; D49-L53 PolarHBondContact O-N 2.91Å; A50-L53 PolarHBondContact O-N 3.49Å; M51-L53 PolarHBondContact O-N 3.49Å; L53-A215 CarbonylContact O-C 3.22Å; L53-A215 WeakPolarHBondContact O-CA 3.38Å; L53-A215 WeakPolarHBondContact O-CB 3.46Å; L53-G216 PolarHBondContact O-N 3.4Å; L53-F218 HydrophobicContact CD2-CD1 4.25Å; L53-A219 HydrophobicContact CB-CB 4.18Å; L53-A219 HydrophobicContact CD1-CB 3.89Å
54F90.8Very high88.9Confident125 Ų12581.4 Ų81.455%0.54844%0.437SS..Hα-helixtrans-81-26.2178.1-69.4-61.1000114A50 M51 K52 M223A50-F54 HydrophobicContact CB-CE2 4.43Å; A50-F54 WeakPolarHBondContact O-CD2 3.12Å; A50-F54 PolarHBondContact O-N 3.33Å; M51-F54 PolarHBondContact O-N 2.89Å; K52-F54 VanDerWaalsContact C-N 3.34Å; K52-F54 PolarHBondContact O-N 3.21Å; F54-M223 HydrophobicContact CZ-CE 4.07Å
55T92.3Very high88.6Confident103 Ų10379.5 Ų79.563%0.63243%0.429SS*.Hα-helixtrans-82.5-19175570000113.7M51 K52M51-T55 HydrophobicContact CG-CG2 4.26Å; M51-T55 WeakPolarHBondContact O-CB 3.2Å; M51-T55 VanDerWaalsContact O-CG2 3.29Å; M51-T55 WeakPolarHBondContact O-CG2 3.21Å; M51-T55 PolarHBondContact O-N 3.14Å; M51-T55 PolarHBondContact O-OG1 3.38Å; K52-T55 PolarHBondContact O-N 3.11Å; K52-T55 PolarHBondContact O-OG1 2.8Å; K52-T55 VanDerWaalsContact O-OG1 3.12Å
56K92.3Very high88.3Confident119 Ų11983.3 Ų83.352%0.51745%0.449SS..SBendtrans-72.7142.2-178.5-170.7176.3-177.7-173.20110K52 A215K52-K56 WeakPolarHBondContact O-CB 3.14Å; K52-K56 PolarHBondContact O-N 3.26Å; K52-K56 VanDerWaalsContact O-N 3.11Å; K56-A215 HydrophobicContact CB-CB 3.82Å; K56-A215 HydrophobicContact CD-CB 4.46Å; K56-A215 HydrophobicContact CG-CB 4.17Å; K56-A215 WeakPolarHBondContact O-CB 3.39Å
57E88.9Confident88.1Confident146 Ų14688 Ų8868%0.68248%0.478SS*.  trans-56.5128177.8-173.3179.1176.200111.1L59E57-L59 PolarHBondContact O-N 3.49Å
58P85.3Confident88.1Confident70 Ų7084.3 Ų84.346%0.45546%0.463SS..  trans-74.3106.4173.529.4-32000109.5K60P58-K60 PolarHBondContact O-N 2.88Å
59L84.1Confident87.9Confident104 Ų10482.6 Ų82.655%0.54545%0.448SS..  trans-70.2124.8171.9-63.7171.1000109.3E57 Y69 A214E57-L59 PolarHBondContact O-N 3.49Å; L59-Y69 PolarHBondContact O-OH 3.38Å; L59-A214 HydrophobicContact CB-CB 3.73Å; L59-A214 HydrophobicContact CD1-CB 3.93Å; L59-A214 HydrophobicContact CG-CB 3.95Å
60K83.3Confident87.9Confident130 Ų13085.1 Ų85.157%0.56546%0.461SS*.  trans-115.3111.6170.9-69-179-178.8177.50108.2P58P58-K60 PolarHBondContact O-N 2.88Å
61P82.1Confident87.9Confident24 Ų2486 Ų8616%0.15646%0.462CS..  trans-68.4138.9179.726.1-33.1000111T63 S64 Y69 E212P61-T63 PolarHBondContact O-N 3.39Å; P61-S64 PolarHBondContact O-N 3.04Å; P61-S64 PolarHBondContact O-OG 3.27Å; P61-Y69 HydrophobicContact CG-CE2 4.3Å; P61-E212 HydrophobicContact CG-CB 4.17Å
62A78.7Confident88Confident112 Ų11279.6 Ų79.693%0.92643%0.431SS*.THydrogen-bonded Turntrans-64.8-23.8-175.600000113.8
63T81.1Confident88Confident89 Ų8973.1 Ų73.155%0.54640%0.403SS..THydrogen-bonded Turntrans-87.3-3-178.949.90000113.6P61 N122P61-T63 PolarHBondContact O-N 3.39Å; T63-N122 WeakPolarHBondContact O-CB 3.2Å; T63-N122 PolarHBondContact O-ND2 3.42Å
64S84.9Confident88.1Confident16 Ų1674.1 Ų74.111%0.11241%0.411CS..SBendtrans-84.3152.2-174.260.40000114.8P61 I66 A120P61-S64 PolarHBondContact O-N 3.04Å; P61-S64 PolarHBondContact O-OG 3.27Å; S64-I66 PolarHBondContact O-N 2.96Å; S64-A120 WeakPolarHBondContact CA-O 3.47Å; S64-A120 WeakPolarHBondContact CB-O 3.29Å
65T89.5Confident88.4Confident52 Ų5270 Ų7032%0.31939%0.394SS..  trans-81.9103.816755.30000109.7T67 L68 Y69 W119 A120T65-T67 VanDerWaalsContact C-N 3.29Å; T65-T67 PolarHBondContact O-N 3.22Å; T65-L68 PolarHBondContact O-N 2.92Å; T65-Y69 WeakPolarHBondContact O-CB 3.19Å; T65-Y69 PolarHBondContact O-N 3.48Å; T65-W119 HydrophobicContact CG2-CZ3 4.16Å; T65-A120 PolarHBondContact N-O 3.06Å; T65-A120 VanDerWaalsContact N-O 3.08Å; T65-A120 WeakPolarHBondContact OG1-CA 3.3Å
66I86.2Confident88.5Confident110 Ų11065.4 Ų65.456%0.56437%0.367SS*.Hα-helixtrans-57.5-38.9-169.3-64.3159000112.9S64 I70S64-I66 PolarHBondContact O-N 2.96Å; I66-I70 HydrophobicContact CG2-CD1 3.8Å; I66-I70 WeakPolarHBondContact O-CG1 3.38Å; I66-I70 PolarHBondContact O-N 3.49Å; I66-I70 VanDerWaalsContact O-N 3.15Å
67T90.1Very high88.6Confident105 Ų10561.2 Ų61.264%0.64435%0.35SS*.Hα-helixtrans-62-54.6-177.850.60000111T65 I70 T71T65-T67 VanDerWaalsContact C-N 3.29Å; T65-T67 PolarHBondContact O-N 3.22Å; T67-I70 PolarHBondContact O-N 3.17Å; T67-T71 VanDerWaalsContact O-CG2 3.29Å; T67-T71 WeakPolarHBondContact O-CG2 3.36Å; T67-T71 PolarHBondContact O-N 3.19Å; T67-T71 PolarHBondContact O-OG1 2.95Å; T67-T71 VanDerWaalsContact O-OG1 3.1Å
68L90.5Very high88.9Confident37 Ų3757.7 Ų57.719%0.19434%0.339CS..Hα-helixtrans-68.5-35.4179.9-68.1174.5000112.5T65 I70 T71 A72 W116 W119 A120T65-L68 PolarHBondContact O-N 2.92Å; L68-I70 VanDerWaalsContact C-N 3.27Å; L68-I70 PolarHBondContact O-N 3.08Å; L68-T71 WeakPolarHBondContact CA-OG1 3.39Å; L68-T71 PolarHBondContact O-N 3.35Å; L68-T71 PolarHBondContact O-OG1 2.85Å; L68-A72 VanDerWaalsContact O-CB 3.26Å; L68-A72 WeakPolarHBondContact O-CB 3.18Å; L68-A72 PolarHBondContact O-N 3.08Å; L68-W116 HydrophobicContact CD2-CB 4.48Å; L68-W116 HydrophobicContact CD2-CD2 3.9Å; L68-W116 HydrophobicContact CD2-CE3 3.98Å; L68-W116 HydrophobicContact CD2-CG 4.13Å; L68-W119 HydrophobicContact CD1-CE3 3.41Å; L68-W119 VanDerWaalsContact CD1-CE3 3.41Å; L68-W119 HydrophobicContact CD1-CZ3 3.4Å; L68-W119 VanDerWaalsContact CD1-CZ3 3.4Å; L68-A120 HydrophobicContact CB-CB 3.69Å
69Y89.3Confident89.4Confident4 Ų454.6 Ų54.62%0.01632%0.318CS..Hα-helixtrans-62.3-35.6178.2-173.3-88000112.1L59 P61 T65 P73 E212 Y213L59-Y69 PolarHBondContact O-OH 3.38Å; P61-Y69 HydrophobicContact CG-CE2 4.3Å; T65-Y69 WeakPolarHBondContact O-CB 3.19Å; T65-Y69 PolarHBondContact O-N 3.48Å; Y69-P73 WeakPolarHBondContact O-CD 3.44Å; Y69-E212 HydrophobicContact CE2-CB 4.45Å; Y69-E212 PolarHBondContact OH-O 3.33Å; Y69-Y213 WeakPolarHBondContact CA-OH 3.2Å; Y69-Y213 HydrophobicContact CD1-CE1 4.01Å; Y69-Y213 HydrophobicContact CD2-CD1 4.36Å; Y69-Y213 AromaticContact CD2-CE1 3.62Å; Y69-Y213 HydrophobicContact CD2-CE1 3.62Å; Y69-Y213 HydrophobicContact CD2-CE2 4.04Å; Y69-Y213 AromaticContact CD2-CZ 3.43Å; Y69-Y213 VanDerWaalsContact CD2-CZ 3.43Å; Y69-Y213 WeakPolarHBondContact CD2-OH 3.34Å; Y69-Y213 HydrophobicContact CE1-CD1 4.01Å; Y69-Y213 AromaticContact CE1-CE1 3.86Å; Y69-Y213 HydrophobicContact CE1-CE1 3.86Å; Y69-Y213 AromaticContact CE2-CD1 3.74Å; Y69-Y213 HydrophobicContact CE2-CD1 3.74Å; Y69-Y213 HydrophobicContact CE2-CD2 4.04Å; Y69-Y213 AromaticContact CE2-CE1 3.46Å; Y69-Y213 HydrophobicContact CE2-CE1 3.46Å; Y69-Y213 VanDerWaalsContact CE2-CE1 3.46Å; Y69-Y213 AromaticContact CE2-CE2 3.79Å; Y69-Y213 HydrophobicContact CE2-CE2 3.79Å; Y69-Y213 HydrophobicContact CE2-CG 4.03Å; Y69-Y213 AromaticContact CE2-CZ 3.49Å; Y69-Y213 VanDerWaalsContact CE2-CZ 3.49Å; Y69-Y213 AromaticContact CG-CE1 3.9Å; Y69-Y213 HydrophobicContact CG-CE1 3.9Å; Y69-Y213 AromaticContact CZ-CD1 3.54Å; Y69-Y213 AromaticContact CZ-CE1 3.59Å; Y69-Y213 WeakPolarHBondContact O-CE1 3.19Å; Y69-Y213 WeakPolarHBondContact OH-CA 3.46Å
70I90.1Very high89.9Confident83 Ų8349.6 Ų49.643%0.42629%0.292SS..Hα-helixtrans-83.9-35.2177.6-64.1170.4000111.7I66 T67 L68 T74I66-I70 HydrophobicContact CG2-CD1 3.8Å; I66-I70 WeakPolarHBondContact O-CG1 3.38Å; I66-I70 PolarHBondContact O-N 3.49Å; I66-I70 VanDerWaalsContact O-N 3.15Å; T67-I70 PolarHBondContact O-N 3.17Å; L68-I70 VanDerWaalsContact C-N 3.27Å; L68-I70 PolarHBondContact O-N 3.08Å; I70-T74 PolarHBondContact O-OG1 3.27Å
71T92.5Very high90.5Very high58 Ų5844.8 Ų44.836%0.35627%0.272SS..Hα-helixtrans-78.7-28.1-177.358.80000113.7T67 L68 T74 L75T67-T71 VanDerWaalsContact O-CG2 3.29Å; T67-T71 WeakPolarHBondContact O-CG2 3.36Å; T67-T71 PolarHBondContact O-N 3.19Å; T67-T71 PolarHBondContact O-OG1 2.95Å; T67-T71 VanDerWaalsContact O-OG1 3.1Å; L68-T71 WeakPolarHBondContact CA-OG1 3.39Å; L68-T71 PolarHBondContact O-N 3.35Å; L68-T71 PolarHBondContact O-OG1 2.85Å; T71-T74 WeakPolarHBondContact CA-OG1 3.21Å; T71-T74 PolarHBondContact O-N 2.92Å; T71-T74 PolarHBondContact O-OG1 3.46Å; T71-L75 WeakPolarHBondContact O-CB 3.36Å; T71-L75 PolarHBondContact O-N 2.86Å
72A92.8Very high91.1Very high0 Ų047.7 Ų47.70%029%0.286CS..Hα-helixtrans-62.9-49.1-177.200000113.7L68 T74 L75 A76 W116 F221L68-A72 VanDerWaalsContact O-CB 3.26Å; L68-A72 WeakPolarHBondContact O-CB 3.18Å; L68-A72 PolarHBondContact O-N 3.08Å; A72-T74 PolarHBondContact O-N 3.17Å; A72-L75 PolarHBondContact O-N 3.09Å; A72-A76 PolarHBondContact O-N 3.06Å; A72-W116 HydrophobicContact CB-CB 3.98Å; A72-F221 HydrophobicContact CB-CZ 4.15Å
73P92.8Very high91.8Very high2 Ų242.5 Ų42.51%0.01324%0.243CC..Hα-helixtrans-67.2-34.4178.1-10.920.7000113.3Y69 L77 Y213 P217 L220 F221Y69-P73 WeakPolarHBondContact O-CD 3.44Å; P73-L77 PolarHBondContact O-N 3.36Å; P73-Y213 HydrophobicContact CG-CD1 4.09Å; P73-Y213 HydrophobicContact CG-CE1 3.66Å; P73-P217 WeakPolarHBondContact CB-O 3.21Å; P73-P217 HydrophobicContact CG-CB 4.1Å; P73-L220 HydrophobicContact CB-CB 3.71Å; P73-L220 HydrophobicContact CB-CD1 3.93Å; P73-L220 HydrophobicContact CB-CG 4.48Å; P73-F221 HydrophobicContact CB-CD2 4.05Å; P73-F221 HydrophobicContact CB-CE2 3.75Å; P73-F221 HydrophobicContact CB-CZ 3.97Å; P73-F221 HydrophobicContact CG-CD2 4.22Å; P73-F221 HydrophobicContact CG-CE2 3.54Å; P73-F221 HydrophobicContact CG-CZ 3.88Å
74T93.7Very high92.5Very high67 Ų6738.8 Ų38.841%0.41122%0.219SC..Hα-helixtrans-69.4-41.617757.70000110.7I70 T71 A72 A76 L77 T78 L220I70-T74 PolarHBondContact O-OG1 3.27Å; T71-T74 WeakPolarHBondContact CA-OG1 3.21Å; T71-T74 PolarHBondContact O-N 2.92Å; T71-T74 PolarHBondContact O-OG1 3.46Å; A72-T74 PolarHBondContact O-N 3.17Å; T74-A76 PolarHBondContact O-N 3.19Å; T74-L77 PolarHBondContact O-N 3.45Å; T74-T78 VanDerWaalsContact O-CG2 3.25Å; T74-T78 WeakPolarHBondContact O-CG2 3.45Å; T74-T78 PolarHBondContact O-N 2.94Å; T74-T78 PolarHBondContact O-OG1 2.8Å; T74-L220 HydrophobicContact CG2-CD1 4.2Å
75L95.3Very high92.9Very high39 Ų3938.9 Ų38.920%0.20422%0.219CC..Hα-helixtrans-59.6-45.8174.3-170125.4000111.2T71 A72 L77 T78 I79 W116T71-L75 WeakPolarHBondContact O-CB 3.36Å; T71-L75 PolarHBondContact O-N 2.86Å; A72-L75 PolarHBondContact O-N 3.09Å; L75-L77 PolarHBondContact O-N 3.22Å; L75-T78 WeakPolarHBondContact CA-OG1 3.42Å; L75-T78 PolarHBondContact O-N 3.45Å; L75-T78 PolarHBondContact O-OG1 3.23Å; L75-I79 HydrophobicContact CD2-CD1 3.39Å; L75-I79 HydrophobicContact CD2-CG1 4.48Å; L75-I79 HydrophobicContact CG-CD1 3.83Å; L75-I79 HydrophobicContact CG-CG1 4.46Å; L75-I79 VanDerWaalsContact O-CG1 3.32Å; L75-I79 WeakPolarHBondContact O-CG1 3.49Å; L75-I79 PolarHBondContact O-N 3.46Å; L75-W116 HydrophobicContact CD1-CH2 4.44Å; L75-W116 HydrophobicContact CD1-CZ3 3.92Å
76A94.4Very high93.1Very high7 Ų736.6 Ų36.66%0.05821%0.205CC..Hα-helixtrans-54.4-51176.700000112.4A72 T74 A80 F221 A224A72-A76 PolarHBondContact O-N 3.06Å; T74-A76 PolarHBondContact O-N 3.19Å; A76-A80 WeakPolarHBondContact O-CB 3.49Å; A76-A80 PolarHBondContact O-N 3.36Å; A76-F221 HydrophobicContact CB-CD1 3.84Å; A76-F221 HydrophobicContact CB-CE1 3.8Å; A76-A224 HydrophobicContact CB-CB 3.93Å
77L95.1Very high93.4Very high31 Ų3131.6 Ų31.616%0.16218%0.179CC..Hα-helixtrans-65.1-41.9178.8-171.880.3000111.8P73 T74 L75 I79 A80 L81 L220 M223P73-L77 PolarHBondContact O-N 3.36Å; T74-L77 PolarHBondContact O-N 3.45Å; L75-L77 PolarHBondContact O-N 3.22Å; L77-I79 PolarHBondContact O-N 3.47Å; L77-A80 PolarHBondContact O-N 3.06Å; L77-L81 HydrophobicContact CD2-CD1 4.38Å; L77-L81 HydrophobicContact CG-CD1 4.13Å; L77-L81 WeakPolarHBondContact O-CG 3.35Å; L77-L81 PolarHBondContact O-N 3.36Å; L77-L220 HydrophobicContact CB-CD2 4.48Å; L77-L220 HydrophobicContact CD2-CD2 3.79Å; L77-M223 HydrophobicContact CD1-CB 3.77Å
78T95.3Very high93.4Very high72 Ų7226.7 Ų26.744%0.44215%0.149SC..Hα-helixtrans-62.5-42.6-179.657.10000112T74 L75 L81 L82T74-T78 VanDerWaalsContact O-CG2 3.25Å; T74-T78 WeakPolarHBondContact O-CG2 3.45Å; T74-T78 PolarHBondContact O-N 2.94Å; T74-T78 PolarHBondContact O-OG1 2.8Å; L75-T78 WeakPolarHBondContact CA-OG1 3.42Å; L75-T78 PolarHBondContact O-N 3.45Å; L75-T78 PolarHBondContact O-OG1 3.23Å; T78-L81 PolarHBondContact O-N 3.39Å; T78-L82 WeakPolarHBondContact O-CB 3.37Å; T78-L82 VanDerWaalsContact O-CG 3.23Å; T78-L82 WeakPolarHBondContact O-CG 3.25Å; T78-L82 PolarHBondContact O-N 3.35Å
79I95.4Very high93.2Very high4 Ų427.9 Ų27.92%0.02115%0.154CC..Hα-helixtrans-64.4-45.9176.7-66168.6000110.2L75 L77 L81 L82 L83 T106 L109 A110L75-I79 HydrophobicContact CD2-CD1 3.39Å; L75-I79 HydrophobicContact CD2-CG1 4.48Å; L75-I79 HydrophobicContact CG-CD1 3.83Å; L75-I79 HydrophobicContact CG-CG1 4.46Å; L75-I79 VanDerWaalsContact O-CG1 3.32Å; L75-I79 WeakPolarHBondContact O-CG1 3.49Å; L75-I79 PolarHBondContact O-N 3.46Å; L77-I79 PolarHBondContact O-N 3.47Å; I79-L81 VanDerWaalsContact C-N 3.25Å; I79-L81 PolarHBondContact O-N 3.15Å; I79-L82 PolarHBondContact O-N 3.1Å; I79-L82 VanDerWaalsContact O-N 3.14Å; I79-L83 HydrophobicContact CG2-CD1 4.09Å; I79-L83 WeakPolarHBondContact O-CG 3.48Å; I79-L83 PolarHBondContact O-N 3.21Å; I79-L83 VanDerWaalsContact O-N 3.14Å; I79-T106 WeakPolarHBondContact CG2-O 3.49Å; I79-L109 HydrophobicContact CD1-CB 3.97Å; I79-L109 HydrophobicContact CD1-CD2 3.82Å; I79-L109 HydrophobicContact CD1-CG 3.68Å; I79-L109 HydrophobicContact CG1-CD2 4.11Å; I79-L109 HydrophobicContact CG1-CG 4.47Å; I79-A110 HydrophobicContact CG2-CB 4.05Å
80A95.3Very high93Very high0 Ų028.2 Ų28.20%016%0.157CC..Hα-helixtrans-59.9-35.6-179.600000112.7A76 L77 W84 A224 T227 N228A76-A80 WeakPolarHBondContact O-CB 3.49Å; A76-A80 PolarHBondContact O-N 3.36Å; L77-A80 PolarHBondContact O-N 3.06Å; A80-W84 PolarHBondContact O-NE1 3.1Å; A80-A224 HydrophobicContact CB-CB 4.08Å; A80-T227 VanDerWaalsContact CB-OG1 3.22Å; A80-T227 WeakPolarHBondContact CB-OG1 3.43Å; A80-N228 WeakPolarHBondContact CA-OD1 3.4Å; A80-N228 VanDerWaalsContact CB-OD1 3.25Å; A80-N228 WeakPolarHBondContact CB-OD1 3.5Å
81L94.8Very high93Very high29 Ų2929.8 Ų29.815%0.15217%0.166CC..Hα-helixtrans-77.7-35.7175.1-68.4173.9000113.1I8 I11 L77 T78 I79 L83 W84I8-L81 HydrophobicContact CG2-CD1 4.17Å; I8-L81 HydrophobicContact CG2-CD2 4.19Å; I11-L81 HydrophobicContact CG2-CD2 4.37Å; L77-L81 HydrophobicContact CD2-CD1 4.38Å; L77-L81 HydrophobicContact CG-CD1 4.13Å; L77-L81 WeakPolarHBondContact O-CG 3.35Å; L77-L81 PolarHBondContact O-N 3.36Å; T78-L81 PolarHBondContact O-N 3.39Å; I79-L81 VanDerWaalsContact C-N 3.25Å; I79-L81 PolarHBondContact O-N 3.15Å; L81-L83 VanDerWaalsContact C-N 3.28Å; L81-L83 PolarHBondContact O-N 2.98Å; L81-W84 PolarHBondContact O-N 2.94Å
82L94.6Very high93Very high85 Ų8528 Ų2845%0.44516%0.156SC..Hα-helixtrans-62.9-34.5178.2-78.3168.9000112.6T78 I79 W84 T85T78-L82 WeakPolarHBondContact O-CB 3.37Å; T78-L82 VanDerWaalsContact O-CG 3.23Å; T78-L82 WeakPolarHBondContact O-CG 3.25Å; T78-L82 PolarHBondContact O-N 3.35Å; I79-L82 PolarHBondContact O-N 3.1Å; I79-L82 VanDerWaalsContact O-N 3.14Å; L82-W84 PolarHBondContact O-N 3.33Å; L82-W84 VanDerWaalsContact O-N 3.09Å; L82-T85 WeakPolarHBondContact O-CB 3.5Å; L82-T85 WeakPolarHBondContact O-CG2 3.39Å; L82-T85 PolarHBondContact O-N 2.97Å; L82-T85 VanDerWaalsContact O-N 3.08Å; L82-T85 PolarHBondContact O-OG1 2.9Å
83L95.1Very high92.9Very high2 Ų230.5 Ų30.51%0.0117%0.169CC..THydrogen-bonded Turntrans-58.9-19.8178.2-76.6159.8000113.8I79 L81 P86 I103 T106 M231I79-L83 HydrophobicContact CG2-CD1 4.09Å; I79-L83 WeakPolarHBondContact O-CG 3.48Å; I79-L83 PolarHBondContact O-N 3.21Å; I79-L83 VanDerWaalsContact O-N 3.14Å; L81-L83 VanDerWaalsContact C-N 3.28Å; L81-L83 PolarHBondContact O-N 2.98Å; L83-P86 WeakPolarHBondContact O-CD 3.33Å; L83-I103 HydrophobicContact CD2-CB 4.23Å; L83-I103 HydrophobicContact CD2-CG1 4.3Å; L83-I103 HydrophobicContact CD2-CG2 3.8Å; L83-T106 WeakPolarHBondContact CD2-OG1 3.19Å; L83-M231 HydrophobicContact CB-CE 3.82Å; L83-M231 HydrophobicContact CB-CG 3.84Å; L83-M231 HydrophobicContact CB-SD 3.92Å; L83-M231 HydrophobicContact CD1-CE 3.46Å; L83-M231 VanDerWaalsContact CD1-CE 3.46Å; L83-M231 HydrophobicContact CD2-CE 4.13Å; L83-M231 HydrophobicContact CD2-SD 4.46Å; L83-M231 HydrophobicContact CG-CE 3.99Å
84W94.8Very high92.8Very high11 Ų1133.4 Ų33.44%0.04219%0.186CC..THydrogen-bonded Turntrans-82-19178.4-68.182.3000114.4L7 I11 A80 L81 L82 L87 M89 I230 M231 T234L7-W84 HydrophobicContact CD2-CB 4.15Å; I11-W84 HydrophobicContact CD1-CB 3.88Å; I11-W84 HydrophobicContact CD1-CD2 3.45Å; I11-W84 VanDerWaalsContact CD1-CD2 3.45Å; I11-W84 HydrophobicContact CD1-CE3 3.68Å; I11-W84 HydrophobicContact CD1-CG 3.54Å; I11-W84 HydrophobicContact CD1-CZ3 4.35Å; I11-W84 HydrophobicContact CG1-CD2 4.06Å; I11-W84 HydrophobicContact CG1-CE3 4.05Å; I11-W84 HydrophobicContact CG1-CH2 4.39Å; I11-W84 HydrophobicContact CG1-CZ2 4.44Å; I11-W84 HydrophobicContact CG1-CZ3 4.22Å; I11-W84 HydrophobicContact CG2-CD2 4.44Å; I11-W84 HydrophobicContact CG2-CZ2 3.92Å; A80-W84 PolarHBondContact O-NE1 3.1Å; L81-W84 PolarHBondContact O-N 2.94Å; L82-W84 PolarHBondContact O-N 3.33Å; L82-W84 VanDerWaalsContact O-N 3.09Å; W84-L87 HydrophobicContact CD2-CD1 4.2Å; W84-L87 HydrophobicContact CE3-CD1 3.84Å; W84-L87 HydrophobicContact CZ3-CD1 4.41Å; W84-L87 PolarHBondContact O-N 2.94Å; W84-M89 HydrophobicContact CE3-CE 3.76Å; W84-M89 HydrophobicContact CZ3-CE 3.58Å; W84-I230 HydrophobicContact CH2-CB 3.92Å; W84-I230 HydrophobicContact CH2-CG2 3.56Å; W84-I230 HydrophobicContact CZ2-CB 3.93Å; W84-I230 HydrophobicContact CZ2-CG2 4.11Å; W84-M231 HydrophobicContact CD2-CB 4.46Å; W84-M231 HydrophobicContact CD2-CG 4.43Å; W84-M231 HydrophobicContact CZ2-CB 3.76Å; W84-T234 HydrophobicContact CH2-CG2 3.99Å; W84-T234 HydrophobicContact CZ3-CG2 3.9Å
85T92.6Very high92.7Very high19 Ų1935.1 Ų35.112%0.11719%0.193CC..THydrogen-bonded Turntrans-61.3-38.8-171.8600000115.1L82 L93 V94L82-T85 WeakPolarHBondContact O-CB 3.5Å; L82-T85 WeakPolarHBondContact O-CG2 3.39Å; L82-T85 PolarHBondContact O-N 2.97Å; L82-T85 VanDerWaalsContact O-N 3.08Å; L82-T85 PolarHBondContact O-OG1 2.9Å; T85-L93 HydrophobicContact CG2-CD2 4.21Å; T85-L93 PolarHBondContact O-N 3.14Å; T85-V94 PolarHBondContact O-N 3.38Å; T85-V94 VanDerWaalsContact O-N 3.11Å
86P93.6Very high92.6Very high4 Ų435.9 Ų35.93%0.02620%0.197CC..THydrogen-bonded Turntrans-89-6.617938.8-40.5000113.8L83 P88 P92 L96 F102 I103 L160L83-P86 WeakPolarHBondContact O-CD 3.33Å; P86-P88 WeakPolarHBondContact O-CD 3.11Å; P86-P92 WeakPolarHBondContact O-CB 3.21Å; P86-L96 HydrophobicContact CB-CD1 4.39Å; P86-F102 HydrophobicContact CG-CD1 3.93Å; P86-F102 HydrophobicContact CG-CE1 4.3Å; P86-I103 HydrophobicContact CG-CD1 3.7Å; P86-I103 HydrophobicContact CG-CG1 3.75Å; P86-L160 HydrophobicContact CB-CD1 4.18Å; P86-L160 HydrophobicContact CG-CD1 4.33Å; P86-L160 WeakPolarHBondContact O-CD1 3.18Å
87L93Very high92.5Very high5 Ų541.2 Ų41.23%0.02623%0.225CC..  trans-68.1125.5-174.3-72.2176.7000111.1W84 M89 P92 I103 L160 M231 T234 L235W84-L87 HydrophobicContact CD2-CD1 4.2Å; W84-L87 HydrophobicContact CE3-CD1 3.84Å; W84-L87 HydrophobicContact CZ3-CD1 4.41Å; W84-L87 PolarHBondContact O-N 2.94Å; L87-M89 PolarHBondContact O-N 2.81Å; L87-P92 WeakPolarHBondContact O-CA 3.05Å; L87-I103 HydrophobicContact CD2-CD1 4.41Å; L87-L160 HydrophobicContact CD2-CD1 4.19Å; L87-M231 HydrophobicContact CD1-CG 4.17Å; L87-T234 WeakPolarHBondContact CD1-OG1 3.43Å; L87-L235 HydrophobicContact CD2-CB 4.37Å; L87-L235 HydrophobicContact CD2-CD1 4.47Å
88P90.3Very high92.5Very high1 Ų144.1 Ų44.11%0.00624%0.24CC..  trans-82.1115.5-176.933.3-36.5000111.2P86 L160 I164 T238P86-P88 WeakPolarHBondContact O-CD 3.11Å; P88-L160 HydrophobicContact CG-CB 3.85Å; P88-I164 HydrophobicContact CB-CD1 3.78Å; P88-I164 HydrophobicContact CG-CD1 4.01Å; P88-T238 HydrophobicContact CG-CG2 4.1Å
89M86.2Confident92.4Very high63 Ų6340.8 Ų40.831%0.3122%0.219SC..SBendtrans-129.390.8171.2-63.1-169.5-148.600111.8W84 L87 N91 F257W84-M89 HydrophobicContact CE3-CE 3.76Å; W84-M89 HydrophobicContact CZ3-CE 3.58Å; L87-M89 PolarHBondContact O-N 2.81Å; M89-N91 PolarHBondContact O-N 3.44Å; M89-F257 HydrophobicContact CE-CE1 4.45Å; M89-F257 HydrophobicContact CG-CD1 4.18Å; M89-F257 HydrophobicContact CG-CE1 3.91Å; M89-F257 HydrophobicContact SD-CE1 4.34Å
90P85.1Confident92.3Very high11 Ų1140.7 Ų40.77%0.07122%0.219CC..SBend-48.1-20.8-5927-36.4000114.6Y245 P250 Y253P90-Y245 HydrophobicContact CB-CD2 3.57Å; P90-Y245 HydrophobicContact CB-CE2 3.56Å; P90-Y245 HydrophobicContact CG-CD2 4.14Å; P90-Y245 HydrophobicContact CG-CE2 3.73Å; P90-P250 HydrophobicContact CG-CB 3.93Å; P90-Y253 HydrophobicContact CB-CD1 3.54Å; P90-Y253 HydrophobicContact CB-CD2 4.44Å; P90-Y253 HydrophobicContact CB-CE1 3.92Å; P90-Y253 HydrophobicContact CB-CG 3.86Å; P90-Y253 HydrophobicContact CG-CD1 4.15Å; P90-Y253 HydrophobicContact CG-CG 4.49Å
91N89.6Confident92.2Very high115 Ų11544.2 Ų44.262%0.61524%0.238SC*.SBendtrans-101.9130.3175.6-66.1-38.7000109.5M89M89-N91 PolarHBondContact O-N 3.44Å
92P92.4Very high92.3Very high22 Ų2245.9 Ų45.914%0.14324%0.243CC..  trans-72.5158.7175.731.5-35.6000111.4P86 L87 V94 N95P86-P92 WeakPolarHBondContact O-CB 3.21Å; L87-P92 WeakPolarHBondContact O-CA 3.05Å; P92-V94 VanDerWaalsContact C-N 3.34Å; P92-N95 HydrophobicContact CG-CB 3.89Å
93L91.6Very high92.3Very high52 Ų5242.2 Ų42.227%0.27222%0.224SC..SBendtrans-63.8-45.3172.4-176.876.3000110.3A2 L4 L7 T85A2-L93 HydrophobicContact CB-CD1 3.87Å; A2-L93 WeakPolarHBondContact O-CD1 3.37Å; L4-L93 HydrophobicContact CD1-CD2 4.29Å; L7-L93 HydrophobicContact CD2-CB 4.33Å; L7-L93 HydrophobicContact CD2-CD2 3.95Å; T85-L93 HydrophobicContact CG2-CD2 4.21Å; T85-L93 PolarHBondContact O-N 3.14Å
94V91.7Very high92.2Very high63 Ų6343.6 Ų43.638%0.38223%0.231SC..SBendtrans-123.7109.9175.5-173.90000108.1T85 P92 L96T85-V94 PolarHBondContact O-N 3.38Å; T85-V94 VanDerWaalsContact O-N 3.11Å; P92-V94 VanDerWaalsContact C-N 3.34Å; V94-L96 HydrophobicContact CG1-CD2 3.61Å; V94-L96 HydrophobicContact CG1-CG 3.86Å; V94-L96 PolarHBondContact O-N 2.68Å
95N91.5Very high92.1Very high103 Ų10346 Ų4655%0.55125%0.254SS*.  trans-77.1103.5174.7-169.61.4000109.4P92 N159P92-N95 HydrophobicContact CG-CB 3.89Å; N95-N159 PolarHBondContact OD1-ND2 3.09Å; N95-N159 PolarHBondContact OD1-OD1 3.36Å
96L92.8Very high92.2Very high55 Ų5546 Ų4629%0.28825%0.254SS..  trans-104.1131.6178.4-63.3177.4000109.8P86 V94 L98 G99 F102P86-L96 HydrophobicContact CB-CD1 4.39Å; V94-L96 HydrophobicContact CG1-CD2 3.61Å; V94-L96 HydrophobicContact CG1-CG 3.86Å; V94-L96 PolarHBondContact O-N 2.68Å; L96-L98 PolarHBondContact O-N 2.98Å; L96-G99 PolarHBondContact O-N 2.95Å; L96-F102 HydrophobicContact CD1-CB 4.06Å; L96-F102 HydrophobicContact CD1-CD1 4.23Å; L96-F102 HydrophobicContact CD1-CD2 4.2Å; L96-F102 HydrophobicContact CD1-CG 3.89Å
97N92.6Very high92.1Very high119 Ų11946.1 Ų46.164%0.63626%0.255SS*.THydrogen-bonded Turntrans-60.8-34.9173.5-167.715.6000111.8F158 N159N97-F158 CarbonylContact O-C 3.54Å; N97-N159 PolarHBondContact O-N 2.86Å
98L93.9Very high92Very high92 Ų9247.8 Ų47.848%0.48227%0.267SS..THydrogen-bonded Turntrans-10641.7177.4-58.4178.3000111.6L96 L100 L101 F102 F158L96-L98 PolarHBondContact O-N 2.98Å; L98-L100 VanDerWaalsContact C-N 3.31Å; L98-L100 PolarHBondContact O-N 3.36Å; L98-L101 HydrophobicContact CB-CB 4.38Å; L98-L101 HydrophobicContact CB-CD1 4.3Å; L98-L101 HydrophobicContact CD1-CD1 4.37Å; L98-L101 HydrophobicContact CD2-CD1 4.03Å; L98-L101 HydrophobicContact CG-CD1 4.46Å; L98-L101 PolarHBondContact O-N 3.47Å; L98-F102 PolarHBondContact O-N 2.88Å; L98-F158 HydrophobicContact CD2-CB 3.97Å; L98-F158 HydrophobicContact CD2-CD2 3.97Å; L98-F158 HydrophobicContact CD2-CG 4.18Å
99G93.8Very high92.1Very high1 Ų151.6 Ų51.61%0.0129%0.287CS..Hα-helixtrans-57.8-39.6-17500000113.8L96 F102 I103 F158L96-G99 PolarHBondContact O-N 2.95Å; G99-F102 WeakPolarHBondContact O-CB 3.29Å; G99-F102 PolarHBondContact O-N 3.49Å; G99-I103 PolarHBondContact O-N 3.41Å; G99-F158 PolarHBondContact N-O 3.18Å
100L93.1Very high92.3Very high3 Ų349.6 Ų49.62%0.01628%0.28CS..Hα-helixtrans-72.1-39.2-179.5-160.2150.2000112.7L98 F102 I103 L104 L148 L152 F158 L160 L163 I239L98-L100 VanDerWaalsContact C-N 3.31Å; L98-L100 PolarHBondContact O-N 3.36Å; L100-F102 VanDerWaalsContact C-N 3.29Å; L100-F102 PolarHBondContact O-N 3.23Å; L100-I103 PolarHBondContact O-N 3.5Å; L100-L104 HydrophobicContact CD2-CD1 3.85Å; L100-L104 HydrophobicContact CD2-CG 4.38Å; L100-L104 PolarHBondContact O-N 3.08Å; L100-L148 HydrophobicContact CD1-CD2 3.83Å; L100-L148 HydrophobicContact CD2-CB 3.93Å; L100-L148 HydrophobicContact CD2-CD1 3.78Å; L100-L148 HydrophobicContact CD2-CD2 3.93Å; L100-L148 HydrophobicContact CD2-CG 4.04Å; L100-L148 HydrophobicContact CG-CD2 4.31Å; L100-L152 HydrophobicContact CD1-CD1 4Å; L100-L152 HydrophobicContact CD1-CD2 3.8Å; L100-L152 HydrophobicContact CD1-CG 4.11Å; L100-L152 HydrophobicContact CD2-CD1 4Å; L100-L152 HydrophobicContact CG-CD1 4.4Å; L100-F158 PolarHBondContact N-O 2.82Å; L100-F158 VanDerWaalsContact N-O 3.13Å; L100-L160 HydrophobicContact CB-CD2 4.44Å; L100-L160 HydrophobicContact CD1-CD2 4.22Å; L100-L163 HydrophobicContact CD1-CD1 4.4Å; L100-I239 HydrophobicContact CD1-CD1 4.29Å
101L94Very high92.6Very high74 Ų7449.5 Ų49.539%0.38728%0.28SS..Hα-helixtrans-64.3-35.7173.1-68.5174.3000111.7L98 I103 L104 A105 F158L98-L101 HydrophobicContact CB-CB 4.38Å; L98-L101 HydrophobicContact CB-CD1 4.3Å; L98-L101 HydrophobicContact CD1-CD1 4.37Å; L98-L101 HydrophobicContact CD2-CD1 4.03Å; L98-L101 HydrophobicContact CG-CD1 4.46Å; L98-L101 PolarHBondContact O-N 3.47Å; L101-I103 VanDerWaalsContact C-N 3.32Å; L101-I103 PolarHBondContact O-N 3.39Å; L101-L104 PolarHBondContact O-N 2.84Å; L101-A105 WeakPolarHBondContact O-CB 3.44Å; L101-A105 PolarHBondContact O-N 3.48Å; L101-F158 HydrophobicContact CD1-CD1 4.16Å; L101-F158 HydrophobicContact CD1-CE1 4.28Å; L101-F158 HydrophobicContact CD1-CG 4.33Å; L101-F158 HydrophobicContact CD2-CD1 4.29Å; L101-F158 HydrophobicContact CD2-CE1 4.1Å; L101-F158 HydrophobicContact CG-CD1 3.82Å; L101-F158 HydrophobicContact CG-CE1 4.08Å; L101-F158 HydrophobicContact CG-CG 4.36Å
102F95.5Very high92.7Very high63 Ų6349.8 Ų49.828%0.27627%0.274SS..Hα-helixtrans-60.4-42.4173.2172.9-92000111.6P86 L96 L98 G99 L100 A105 T106P86-F102 HydrophobicContact CG-CD1 3.93Å; P86-F102 HydrophobicContact CG-CE1 4.3Å; L96-F102 HydrophobicContact CD1-CB 4.06Å; L96-F102 HydrophobicContact CD1-CD1 4.23Å; L96-F102 HydrophobicContact CD1-CD2 4.2Å; L96-F102 HydrophobicContact CD1-CG 3.89Å; L98-F102 PolarHBondContact O-N 2.88Å; G99-F102 WeakPolarHBondContact O-CB 3.29Å; G99-F102 PolarHBondContact O-N 3.49Å; L100-F102 VanDerWaalsContact C-N 3.29Å; L100-F102 PolarHBondContact O-N 3.23Å; F102-A105 PolarHBondContact O-N 3.23Å; F102-T106 HydrophobicContact CD1-CG2 4.44Å; F102-T106 HydrophobicContact CD2-CG2 4.23Å; F102-T106 HydrophobicContact CE1-CG2 4.04Å; F102-T106 HydrophobicContact CE2-CG2 3.8Å; F102-T106 HydrophobicContact CZ-CG2 3.71Å; F102-T106 WeakPolarHBondContact O-CB 3.27Å; F102-T106 WeakPolarHBondContact O-CG2 3.35Å; F102-T106 PolarHBondContact O-N 2.85Å; F102-T106 PolarHBondContact O-OG1 3.39Å
103I94.8Very high92.7Very high8 Ų849 Ų494%0.04127%0.269CS..Hα-helixtrans-64.1-45.8176.3-72.5151.7000111.5L83 P86 L87 G99 L100 L101 A105 T106 S107 L160 L235L83-I103 HydrophobicContact CD2-CB 4.23Å; L83-I103 HydrophobicContact CD2-CG1 4.3Å; L83-I103 HydrophobicContact CD2-CG2 3.8Å; P86-I103 HydrophobicContact CG-CD1 3.7Å; P86-I103 HydrophobicContact CG-CG1 3.75Å; L87-I103 HydrophobicContact CD2-CD1 4.41Å; G99-I103 PolarHBondContact O-N 3.41Å; L100-I103 PolarHBondContact O-N 3.5Å; L101-I103 VanDerWaalsContact C-N 3.32Å; L101-I103 PolarHBondContact O-N 3.39Å; I103-A105 PolarHBondContact O-N 3.15Å; I103-T106 WeakPolarHBondContact CA-OG1 3.33Å; I103-T106 PolarHBondContact O-N 2.93Å; I103-T106 PolarHBondContact O-OG1 3.31Å; I103-S107 WeakPolarHBondContact O-CB 3.3Å; I103-S107 PolarHBondContact O-N 3.49Å; I103-S107 PolarHBondContact O-OG 2.99Å; I103-L160 HydrophobicContact CD1-CD1 3.58Å; I103-L235 HydrophobicContact CB-CD1 4.3Å; I103-L235 HydrophobicContact CD1-CD1 3.66Å; I103-L235 HydrophobicContact CG1-CD1 4.33Å; I103-L235 HydrophobicContact CG2-CD1 3.53Å
104L93.3Very high92.7Very high31 Ų3147.3 Ų47.316%0.16226%0.259CS..Hα-helixtrans-59.3-44.3175.9-82.8168.3000112.7L100 L101 S107 S108 L144 A145 L148L100-L104 HydrophobicContact CD2-CD1 3.85Å; L100-L104 HydrophobicContact CD2-CG 4.38Å; L100-L104 PolarHBondContact O-N 3.08Å; L101-L104 PolarHBondContact O-N 2.84Å; L104-S107 PolarHBondContact O-OG 2.96Å; L104-S107 VanDerWaalsContact O-OG 3.11Å; L104-S108 PolarHBondContact O-N 2.61Å; L104-S108 VanDerWaalsContact O-N 3.16Å; L104-S108 PolarHBondContact O-OG 3.09Å; L104-L144 HydrophobicContact CD2-CD2 3.6Å; L104-L144 HydrophobicContact CD2-CG 4.4Å; L104-A145 HydrophobicContact CD2-CB 4.38Å; L104-L148 HydrophobicContact CD1-CD1 3.78Å; L104-L148 HydrophobicContact CD2-CD1 3.68Å; L104-L148 HydrophobicContact CG-CD1 3.77Å
105A93.6Very high92.7Very high62 Ų6246.9 Ų46.951%0.51226%0.255SS..Hα-helixtrans-67.4-37.3179.100000112.3L101 F102 I103 S108 L109L101-A105 WeakPolarHBondContact O-CB 3.44Å; L101-A105 PolarHBondContact O-N 3.48Å; F102-A105 PolarHBondContact O-N 3.23Å; I103-A105 PolarHBondContact O-N 3.15Å; A105-S108 PolarHBondContact O-OG 3.29Å; A105-L109 PolarHBondContact O-N 3.31Å
106T94.1Very high92.8Very high19 Ų1946.2 Ų46.212%0.11725%0.245CC..Hα-helixtrans-78.6-31.9178.949.20000112.6I79 L83 F102 I103 L109I79-T106 WeakPolarHBondContact CG2-O 3.49Å; L83-T106 WeakPolarHBondContact CD2-OG1 3.19Å; F102-T106 HydrophobicContact CD1-CG2 4.44Å; F102-T106 HydrophobicContact CD2-CG2 4.23Å; F102-T106 HydrophobicContact CE1-CG2 4.04Å; F102-T106 HydrophobicContact CE2-CG2 3.8Å; F102-T106 HydrophobicContact CZ-CG2 3.71Å; F102-T106 WeakPolarHBondContact O-CB 3.27Å; F102-T106 WeakPolarHBondContact O-CG2 3.35Å; F102-T106 PolarHBondContact O-N 2.85Å; F102-T106 PolarHBondContact O-OG1 3.39Å; I103-T106 WeakPolarHBondContact CA-OG1 3.33Å; I103-T106 PolarHBondContact O-N 2.93Å; I103-T106 PolarHBondContact O-OG1 3.31Å; T106-L109 WeakPolarHBondContact O-CB 3.42Å; T106-L109 PolarHBondContact O-N 3.26Å
107S91.5Very high92.7Very high6 Ų643.6 Ų43.64%0.04223%0.231CC..Hα-helixtrans-66.7-41.2174.271.70000111.8I103 L104 L109 A110 E190I103-S107 WeakPolarHBondContact O-CB 3.3Å; I103-S107 PolarHBondContact O-N 3.49Å; I103-S107 PolarHBondContact O-OG 2.99Å; L104-S107 PolarHBondContact O-OG 2.96Å; L104-S107 VanDerWaalsContact O-OG 3.11Å; S107-L109 PolarHBondContact O-N 3.48Å; S107-A110 WeakPolarHBondContact O-CB 3.33Å; S107-A110 PolarHBondContact O-N 3.44Å; S107-E190 WeakPolarHBondContact CB-OE1 3.41Å; S107-E190 PolarHBondContact OG-OE1 3.4Å
108S90.7Very high92.6Very high41 Ų4138 Ų3829%0.28720%0.201SC..Hα-helixtrans-60.8-27172.961.20000114.1L104 A105 A110 E141L104-S108 PolarHBondContact O-N 2.61Å; L104-S108 VanDerWaalsContact O-N 3.16Å; L104-S108 PolarHBondContact O-OG 3.09Å; A105-S108 PolarHBondContact O-OG 3.29Å; S108-A110 VanDerWaalsContact C-N 3.27Å; S108-A110 PolarHBondContact O-N 2.67Å; S108-E141 VanDerWaalsContact CA-OE1 3.28Å; S108-E141 WeakPolarHBondContact CA-OE1 3.31Å; S108-E141 WeakPolarHBondContact CB-OE2 3.44Å
109L92.1Very high92.5Very high81 Ų8140.7 Ų40.742%0.42421%0.205SC..Hα-helixtrans-69.8-26173.3-16668.2000112.2I79 A105 T106 S107 A111 Y112I79-L109 HydrophobicContact CD1-CB 3.97Å; I79-L109 HydrophobicContact CD1-CD2 3.82Å; I79-L109 HydrophobicContact CD1-CG 3.68Å; I79-L109 HydrophobicContact CG1-CD2 4.11Å; I79-L109 HydrophobicContact CG1-CG 4.47Å; A105-L109 PolarHBondContact O-N 3.31Å; T106-L109 WeakPolarHBondContact O-CB 3.42Å; T106-L109 PolarHBondContact O-N 3.26Å; S107-L109 PolarHBondContact O-N 3.48Å; L109-A111 PolarHBondContact O-N 2.77Å; L109-Y112 HydrophobicContact CD1-CD2 3.83Å; L109-Y112 HydrophobicContact CD1-CE2 4.26Å; L109-Y112 WeakPolarHBondContact O-CB 3.19Å; L109-Y112 PolarHBondContact O-N 3.1Å; L109-Y112 VanDerWaalsContact O-N 3.16Å
110A90.3Very high92.4Very high20 Ų2040.6 Ų40.617%0.16520%0.204CC..Hα-helixtrans-63-31.3-178.200000112.3I79 S107 S108 Y112 S113I79-A110 HydrophobicContact CG2-CB 4.05Å; S107-A110 WeakPolarHBondContact O-CB 3.33Å; S107-A110 PolarHBondContact O-N 3.44Å; S108-A110 VanDerWaalsContact C-N 3.27Å; S108-A110 PolarHBondContact O-N 2.67Å; A110-Y112 PolarHBondContact O-N 3.48Å; A110-S113 WeakPolarHBondContact O-CB 3.37Å; A110-S113 PolarHBondContact O-N 2.73Å; A110-S113 VanDerWaalsContact O-N 3.07Å; A110-S113 PolarHBondContact O-OG 2.74Å
111A91.2Very high92Very high9 Ų940.5 Ų40.57%0.07420%0.203CC..Hα-helixtrans-59.2-31.7176.600000112.9L109 S113 I114 L115 T137L109-A111 PolarHBondContact O-N 2.77Å; A111-S113 VanDerWaalsContact C-N 3.32Å; A111-S113 PolarHBondContact O-N 3.01Å; A111-I114 PolarHBondContact O-N 3.29Å; A111-L115 PolarHBondContact O-N 3.27Å; A111-T137 WeakPolarHBondContact CB-OG1 3.25Å
112Y92.2Very high91.7Very high122 Ų12242.1 Ų42.148%0.47821%0.213SC..Hα-helixtrans-67.1-32.5177-69.3-81.1000112.7L109 A110 I114 L115 W116L109-Y112 HydrophobicContact CD1-CD2 3.83Å; L109-Y112 HydrophobicContact CD1-CE2 4.26Å; L109-Y112 WeakPolarHBondContact O-CB 3.19Å; L109-Y112 PolarHBondContact O-N 3.1Å; L109-Y112 VanDerWaalsContact O-N 3.16Å; A110-Y112 PolarHBondContact O-N 3.48Å; Y112-I114 VanDerWaalsContact C-N 3.28Å; Y112-I114 PolarHBondContact O-N 2.89Å; Y112-L115 PolarHBondContact O-N 2.79Å; Y112-W116 WeakPolarHBondContact O-CB 3.39Å; Y112-W116 VanDerWaalsContact O-CG 3.23Å; Y112-W116 PolarHBondContact O-N 3.32Å
113S92.8Very high91.4Very high5 Ų540.3 Ų40.34%0.03521%0.208CC..Hα-helixtrans-60.6-41.2176.272.40000111.5A110 A111 S117A110-S113 WeakPolarHBondContact O-CB 3.37Å; A110-S113 PolarHBondContact O-N 2.73Å; A110-S113 VanDerWaalsContact O-N 3.07Å; A110-S113 PolarHBondContact O-OG 2.74Å; A111-S113 VanDerWaalsContact C-N 3.32Å; A111-S113 PolarHBondContact O-N 3.01Å; S113-S117 WeakPolarHBondContact O-CB 3.46Å; S113-S117 PolarHBondContact O-N 2.89Å; S113-S117 PolarHBondContact O-OG 3.27Å
114I90.9Very high91Very high16 Ų1646 Ų468%0.08224%0.239CC..Hα-helixtrans-73.2-39.6179.8-56.8170.4000110.7A111 Y112 S117 G118 A130 A133 F209A111-I114 PolarHBondContact O-N 3.29Å; Y112-I114 VanDerWaalsContact C-N 3.28Å; Y112-I114 PolarHBondContact O-N 2.89Å; I114-S117 WeakPolarHBondContact CA-OG 3.28Å; I114-S117 PolarHBondContact O-N 3.5Å; I114-S117 PolarHBondContact O-OG 3.39Å; I114-G118 PolarHBondContact O-N 3.01Å; I114-G118 VanDerWaalsContact O-N 3.15Å; I114-A130 WeakPolarHBondContact O-CB 3.23Å; I114-A133 HydrophobicContact CG2-CB 3.68Å; I114-F209 HydrophobicContact CG1-CZ 4.5Å; I114-F209 HydrophobicContact CG2-CB 4.11Å; I114-F209 HydrophobicContact CG2-CD1 3.76Å; I114-F209 HydrophobicContact CG2-CD2 4.11Å; I114-F209 HydrophobicContact CG2-CE1 4.17Å; I114-F209 HydrophobicContact CG2-CE2 4.47Å; I114-F209 HydrophobicContact CG2-CG 3.72Å; I114-F209 HydrophobicContact CG2-CZ 4.5Å
115L92.8Very high90.8Very high55 Ų5551.7 Ų51.729%0.28826%0.259SS..Hα-helixtrans-63.7-48.8176.8-174.466000111.5A111 Y112 S117 G118 W119 L131 V134A111-L115 PolarHBondContact O-N 3.27Å; Y112-L115 PolarHBondContact O-N 2.79Å; L115-S117 VanDerWaalsContact C-N 3.3Å; L115-S117 PolarHBondContact O-N 3.14Å; L115-G118 PolarHBondContact O-N 3.27Å; L115-W119 PolarHBondContact O-N 3.26Å; L115-L131 HydrophobicContact CD1-CD2 4.36Å; L115-V134 HydrophobicContact CB-CG2 3.85Å; L115-V134 HydrophobicContact CD1-CG2 4.12Å; L115-V134 HydrophobicContact CG-CG2 4.49Å
116W93.3Very high90.5Very high89 Ų8948.8 Ų48.834%0.33723%0.234SC..Hα-helixtrans-64.1-38.1-180-70.3-0.1000111.2L68 A72 L75 Y112 A120L68-W116 HydrophobicContact CD2-CB 4.48Å; L68-W116 HydrophobicContact CD2-CD2 3.9Å; L68-W116 HydrophobicContact CD2-CE3 3.98Å; L68-W116 HydrophobicContact CD2-CG 4.13Å; A72-W116 HydrophobicContact CB-CB 3.98Å; L75-W116 HydrophobicContact CD1-CH2 4.44Å; L75-W116 HydrophobicContact CD1-CZ3 3.92Å; Y112-W116 WeakPolarHBondContact O-CB 3.39Å; Y112-W116 VanDerWaalsContact O-CG 3.23Å; Y112-W116 PolarHBondContact O-N 3.32Å; W116-A120 WeakPolarHBondContact O-CB 3.28Å; W116-A120 PolarHBondContact O-N 3.45Å
117S91Very high90.3Very high0 Ų050.9 Ų50.90%025%0.245CC..Hα-helixtrans-64.8-43.2178.666.20000112.5S113 I114 L115 S121 F209 Y213S113-S117 WeakPolarHBondContact O-CB 3.46Å; S113-S117 PolarHBondContact O-N 2.89Å; S113-S117 PolarHBondContact O-OG 3.27Å; I114-S117 WeakPolarHBondContact CA-OG 3.28Å; I114-S117 PolarHBondContact O-N 3.5Å; I114-S117 PolarHBondContact O-OG 3.39Å; L115-S117 VanDerWaalsContact C-N 3.3Å; L115-S117 PolarHBondContact O-N 3.14Å; S117-S121 PolarHBondContact O-N 2.96Å; S117-F209 VanDerWaalsContact OG-CD2 3.26Å; S117-F209 WeakPolarHBondContact OG-CD2 3.02Å; S117-Y213 VanDerWaalsContact CA-OH 3.31Å; S117-Y213 WeakPolarHBondContact CA-OH 3.35Å
118G90.2Very high90.2Very high0 Ų054.6 Ų54.60%026%0.263CS..Hα-helixtrans-64.7-48177.100000112.3I114 L115 S121I114-G118 PolarHBondContact O-N 3.01Å; I114-G118 VanDerWaalsContact O-N 3.15Å; L115-G118 PolarHBondContact O-N 3.27Å; G118-S121 PolarHBondContact O-N 3.4Å; G118-S121 PolarHBondContact O-OG 3.22Å
119W91.6Very high90.1Very high149 Ų14952.7 Ų52.756%0.56425%0.25SC*.Hα-helixtrans-66.3-39.6179.3-168.777.2000112.5T65 L68 L115 S121 N122 L127T65-W119 HydrophobicContact CG2-CZ3 4.16Å; L68-W119 HydrophobicContact CD1-CE3 3.41Å; L68-W119 VanDerWaalsContact CD1-CE3 3.41Å; L68-W119 HydrophobicContact CD1-CZ3 3.4Å; L68-W119 VanDerWaalsContact CD1-CZ3 3.4Å; L115-W119 PolarHBondContact O-N 3.26Å; W119-S121 VanDerWaalsContact C-N 3.28Å; W119-S121 PolarHBondContact O-N 2.97Å; W119-N122 PolarHBondContact O-N 3.31Å; W119-L127 HydrophobicContact CB-CD1 4.44Å
120A91.1Very high90.1Very high0 Ų048.8 Ų48.80%023%0.23CC..Hα-helixtrans-66.2-30.6-178.200000113.3S64 T65 L68 W116 N122S64-A120 WeakPolarHBondContact CA-O 3.47Å; S64-A120 WeakPolarHBondContact CB-O 3.29Å; T65-A120 PolarHBondContact N-O 3.06Å; T65-A120 VanDerWaalsContact N-O 3.08Å; T65-A120 WeakPolarHBondContact OG1-CA 3.3Å; L68-A120 HydrophobicContact CB-CB 3.69Å; W116-A120 WeakPolarHBondContact O-CB 3.28Å; W116-A120 PolarHBondContact O-N 3.45Å; A120-N122 VanDerWaalsContact C-N 3.25Å; A120-N122 PolarHBondContact O-N 3.46Å
121S85.8Confident90.1Very high0 Ų052.5 Ų52.50%025%0.246CC..THydrogen-bonded Turntrans-71.2-17.2-178.6730000114.2S117 G118 W119 S123 A126S117-S121 PolarHBondContact O-N 2.96Å; G118-S121 PolarHBondContact O-N 3.4Å; G118-S121 PolarHBondContact O-OG 3.22Å; W119-S121 VanDerWaalsContact C-N 3.28Å; W119-S121 PolarHBondContact O-N 2.97Å; S121-S123 PolarHBondContact O-N 2.95Å; S121-S123 VanDerWaalsContact O-N 3.14Å; S121-A126 WeakPolarHBondContact OG-CB 3.4Å
122N88.1Confident90.1Very high109 Ų10954 Ų5458%0.58325%0.25SC*.THydrogen-bonded Turntrans50.634.8179.1-158.315.7000114.4T63 W119 A120T63-N122 WeakPolarHBondContact O-CB 3.2Å; T63-N122 PolarHBondContact O-ND2 3.42Å; W119-N122 PolarHBondContact O-N 3.31Å; A120-N122 VanDerWaalsContact C-N 3.25Å; A120-N122 PolarHBondContact O-N 3.46Å
123S87.6Confident89.9Confident25 Ų2548.2 Ų48.218%0.17523%0.227CC..  trans-114.9139.8170.477.40000110.3S121 Y125 A126 L127S121-S123 PolarHBondContact O-N 2.95Å; S121-S123 VanDerWaalsContact O-N 3.14Å; S123-Y125 VanDerWaalsContact C-N 3.29Å; S123-Y125 PolarHBondContact O-N 3.41Å; S123-A126 PolarHBondContact O-N 2.99Å; S123-A126 WeakPolarHBondContact OG-CB 3.36Å; S123-A126 PolarHBondContact OG-N 3.29Å; S123-L127 PolarHBondContact O-N 3.37Å
124N87.4Confident89.8Confident128 Ų12849.1 Ų49.168%0.68423%0.232SC*.Hα-helixtrans-62-38.4-175.8-68-20.8000111.9L127 I128N124-L127 PolarHBondContact O-N 2.83Å; N124-I128 WeakPolarHBondContact O-CD1 3.4Å; N124-I128 VanDerWaalsContact O-CG1 3.26Å; N124-I128 WeakPolarHBondContact O-CG1 3.49Å; N124-I128 PolarHBondContact O-N 2.75Å
125Y88.9Confident89.8Confident150 Ų15049.7 Ų49.759%0.58824%0.24SC*.Hα-helixtrans-67.7-41.2179.1-71.5-75.8000112.4S123 L127 I128 G129 L205S123-Y125 VanDerWaalsContact C-N 3.29Å; S123-Y125 PolarHBondContact O-N 3.41Å; Y125-L127 VanDerWaalsContact C-N 3.35Å; Y125-I128 PolarHBondContact O-N 3.48Å; Y125-G129 PolarHBondContact O-N 3.15Å; Y125-L205 HydrophobicContact CD1-CD2 4.11Å
126A88.1Confident89.7Confident0 Ų047.1 Ų47.10%023%0.226CC..Hα-helixtrans-68.4-35.917800000112.3S121 S123 G129 A130 G208S121-A126 WeakPolarHBondContact OG-CB 3.4Å; S123-A126 PolarHBondContact O-N 2.99Å; S123-A126 WeakPolarHBondContact OG-CB 3.36Å; S123-A126 PolarHBondContact OG-N 3.29Å; A126-G129 PolarHBondContact O-N 3.39Å; A126-A130 WeakPolarHBondContact O-CB 3.42Å; A126-A130 PolarHBondContact O-N 3.3Å; A126-G208 VanDerWaalsContact CA-O 3.25Å; A126-G208 WeakPolarHBondContact CA-O 3.28Å; A126-G208 WeakPolarHBondContact CB-O 3.36Å
127L90Very high89.6Confident63 Ų6343.3 Ų43.333%0.3321%0.213SC..Hα-helixtrans-65-44173.9-173.665.4000111.7W119 S123 N124 Y125 A130 L131W119-L127 HydrophobicContact CB-CD1 4.44Å; S123-L127 PolarHBondContact O-N 3.37Å; N124-L127 PolarHBondContact O-N 2.83Å; Y125-L127 VanDerWaalsContact C-N 3.35Å; L127-A130 PolarHBondContact O-N 3.07Å; L127-L131 HydrophobicContact CG-CD1 4.3Å; L127-L131 WeakPolarHBondContact O-CG 3.44Å; L127-L131 PolarHBondContact O-N 3.05Å
128I89.3Confident89.5Confident85 Ų8547.6 Ų47.644%0.43624%0.235SC..Hα-helixtrans-62.4-43.7176.4-68.4164.9000110.8N124 Y125 L131 R132 L205N124-I128 WeakPolarHBondContact O-CD1 3.4Å; N124-I128 VanDerWaalsContact O-CG1 3.26Å; N124-I128 WeakPolarHBondContact O-CG1 3.49Å; N124-I128 PolarHBondContact O-N 2.75Å; Y125-I128 PolarHBondContact O-N 3.48Å; I128-L131 PolarHBondContact O-N 3.47Å; I128-R132 WeakPolarHBondContact O-CG 3.37Å; I128-R132 PolarHBondContact O-N 3.33Å; I128-L205 HydrophobicContact CG2-CD2 4.15Å
129G88.5Confident89.5Confident0 Ų047.9 Ų47.90%024%0.236CC..Hα-helixtrans-60.7-45.4176.100000112.6Y125 A126 R132 A133Y125-G129 PolarHBondContact O-N 3.15Å; A126-G129 PolarHBondContact O-N 3.39Å; G129-R132 PolarHBondContact O-N 3.28Å; G129-A133 WeakPolarHBondContact O-CB 3.23Å; G129-A133 PolarHBondContact O-N 3.35Å
130A90.8Very high89.4Confident0 Ų040.8 Ų40.80%021%0.21CC..Hα-helixtrans-64.3-42.9177.500000112.6I114 A126 L127 R132 A133 V134 F209I114-A130 WeakPolarHBondContact O-CB 3.23Å; A126-A130 WeakPolarHBondContact O-CB 3.42Å; A126-A130 PolarHBondContact O-N 3.3Å; L127-A130 PolarHBondContact O-N 3.07Å; A130-R132 VanDerWaalsContact C-N 3.33Å; A130-R132 PolarHBondContact O-N 3.14Å; A130-A133 PolarHBondContact O-N 3.45Å; A130-V134 WeakPolarHBondContact O-CB 3.22Å; A130-V134 VanDerWaalsContact O-CG2 3.23Å; A130-V134 WeakPolarHBondContact O-CG2 3.22Å; A130-V134 PolarHBondContact O-N 3.34Å; A130-F209 HydrophobicContact CB-CB 4.13Å
131L90.9Very high89.5Confident97 Ų9742.9 Ų42.951%0.50822%0.219SC..Hα-helixtrans-63.2-39.1177.2-71.9173.1000112.2L115 L127 I128 A135L115-L131 HydrophobicContact CD1-CD2 4.36Å; L127-L131 HydrophobicContact CG-CD1 4.3Å; L127-L131 WeakPolarHBondContact O-CG 3.44Å; L127-L131 PolarHBondContact O-N 3.05Å; I128-L131 PolarHBondContact O-N 3.47Å; L131-A135 WeakPolarHBondContact O-CB 3.32Å; L131-A135 PolarHBondContact O-N 3.37Å
132R90.3Very high89.9Confident42 Ų4245.6 Ų45.616%0.15824%0.236CC..Hα-helixtrans-65.3-44.8174.6-73.9175.568.1177.20.2111.8I128 G129 A130 A135 Q136 E204 Y280I128-R132 WeakPolarHBondContact O-CG 3.37Å; I128-R132 PolarHBondContact O-N 3.33Å; G129-R132 PolarHBondContact O-N 3.28Å; A130-R132 VanDerWaalsContact C-N 3.33Å; A130-R132 PolarHBondContact O-N 3.14Å; R132-A135 PolarHBondContact O-N 2.79Å; R132-Q136 VanDerWaalsContact O-CB 3.28Å; R132-Q136 WeakPolarHBondContact O-CB 3.49Å; R132-Q136 PolarHBondContact O-N 3.38Å; R132-E204 IonicContact CZ-OE2 3.42Å; R132-E204 VanDerWaalsContact CZ-OE2 3.24Å; R132-E204 IonicContact NH1-OE2 2.61Å; R132-E204 PolarHBondContact NH1-OE2 2.89Å; R132-E204 IonicContact NH2-OE2 3.81Å; R132-E204 PolarHBondContact NH2-OE2 2.92Å; R132-Y280 HydrophobicContact CB-CD2 4.4Å; R132-Y280 HydrophobicContact CB-CE2 4.33Å; R132-Y280 HydrophobicContact CG-CD2 4.3Å; R132-Y280 HydrophobicContact CG-CE2 4.34Å
133A88.6Confident90.1Very high0 Ų040.5 Ų40.50%021%0.209CC..Hα-helixtrans-62.5-43177.800000111.8I114 G129 A130 Q136 T137 A199I114-A133 HydrophobicContact CG2-CB 3.68Å; G129-A133 WeakPolarHBondContact O-CB 3.23Å; G129-A133 PolarHBondContact O-N 3.35Å; A130-A133 PolarHBondContact O-N 3.45Å; A133-Q136 VanDerWaalsContact O-CB 3.31Å; A133-Q136 WeakPolarHBondContact O-CB 3.26Å; A133-Q136 PolarHBondContact O-N 2.86Å; A133-T137 WeakPolarHBondContact O-CG2 3.48Å; A133-T137 PolarHBondContact O-N 2.92Å; A133-T137 PolarHBondContact O-OG1 3.39Å; A133-A199 HydrophobicContact CB-CB 3.55Å
134V91.5Very high90.4Very high23 Ų2339.6 Ų39.614%0.13920%0.202CC..Hα-helixtrans-66-47178.1172.20000110.9L115 A130 Q136 T137 I138L115-V134 HydrophobicContact CB-CG2 3.85Å; L115-V134 HydrophobicContact CD1-CG2 4.12Å; L115-V134 HydrophobicContact CG-CG2 4.49Å; A130-V134 WeakPolarHBondContact O-CB 3.22Å; A130-V134 VanDerWaalsContact O-CG2 3.23Å; A130-V134 WeakPolarHBondContact O-CG2 3.22Å; A130-V134 PolarHBondContact O-N 3.34Å; V134-Q136 PolarHBondContact O-N 3.34Å; V134-T137 WeakPolarHBondContact CA-OG1 3Å; V134-T137 PolarHBondContact O-N 2.96Å; V134-T137 PolarHBondContact O-OG1 3.46Å; V134-I138 HydrophobicContact CG1-CD1 3.65Å; V134-I138 HydrophobicContact CG1-CG1 4.37Å; V134-I138 WeakPolarHBondContact O-CG1 3.18Å; V134-I138 PolarHBondContact O-N 3.08Å
135A90.4Very high90.8Very high29 Ų2935.4 Ų35.424%0.2419%0.185CC..Hα-helixtrans-59-38.2175.800000111.9L131 R132 S139 Y280L131-A135 WeakPolarHBondContact O-CB 3.32Å; L131-A135 PolarHBondContact O-N 3.37Å; R132-A135 PolarHBondContact O-N 2.79Å; A135-S139 WeakPolarHBondContact O-CB 3.3Å; A135-S139 PolarHBondContact O-N 2.99Å; A135-S139 VanDerWaalsContact O-N 3.15Å; A135-S139 PolarHBondContact O-OG 3.02Å; A135-Y280 HydrophobicContact CB-CE2 4.37Å; A135-Y280 WeakPolarHBondContact CB-OH 3.21Å
136Q90.7Very high91.1Very high0 Ų029.6 Ų29.60%016%0.164CC..Hα-helixtrans-59.8-57.9172.6-173.4174.9-33.400111R132 A133 V134 I138 S139 Y140 A189 N192 F196 L283R132-Q136 VanDerWaalsContact O-CB 3.28Å; R132-Q136 WeakPolarHBondContact O-CB 3.49Å; R132-Q136 PolarHBondContact O-N 3.38Å; A133-Q136 VanDerWaalsContact O-CB 3.31Å; A133-Q136 WeakPolarHBondContact O-CB 3.26Å; A133-Q136 PolarHBondContact O-N 2.86Å; V134-Q136 PolarHBondContact O-N 3.34Å; Q136-I138 PolarHBondContact O-N 3.12Å; Q136-S139 PolarHBondContact O-N 2.65Å; Q136-S139 VanDerWaalsContact O-N 3.11Å; Q136-S139 PolarHBondContact O-OG 2.99Å; Q136-Y140 HydrophobicContact CG-CD2 3.73Å; Q136-Y140 HydrophobicContact CG-CE2 3.42Å; Q136-Y140 VanDerWaalsContact CG-CE2 3.42Å; Q136-Y140 WeakPolarHBondContact O-CD2 3.41Å; Q136-Y140 PolarHBondContact O-N 3.21Å; Q136-Y140 VanDerWaalsContact O-N 3.14Å; Q136-A189 PolarHBondContact NE2-O 3.4Å; Q136-N192 PolarHBondContact NE2-OD1 3.15Å; Q136-F196 PolarHBondContact NE2-O 2.64Å; Q136-F196 PolarHBondContact OE1-O 3.25Å; Q136-L283 HydrophobicContact CG-CD1 4.11Å; Q136-L283 HydrophobicContact CG-CD2 4.35Å
137T90.1Very high91.4Very high10 Ų1029.6 Ų29.66%0.06116%0.164CC..Hα-helixtrans-54.7-49-17851.20000112.7A111 A133 V134 S139 Y140 E141A111-T137 WeakPolarHBondContact CB-OG1 3.25Å; A133-T137 WeakPolarHBondContact O-CG2 3.48Å; A133-T137 PolarHBondContact O-N 2.92Å; A133-T137 PolarHBondContact O-OG1 3.39Å; V134-T137 WeakPolarHBondContact CA-OG1 3Å; V134-T137 PolarHBondContact O-N 2.96Å; V134-T137 PolarHBondContact O-OG1 3.46Å; T137-S139 VanDerWaalsContact C-N 3.31Å; T137-S139 PolarHBondContact O-N 3.3Å; T137-Y140 PolarHBondContact O-N 3.44Å; T137-E141 WeakPolarHBondContact O-CG 3.08Å; T137-E141 PolarHBondContact O-N 2.91Å
138I89.7Confident91.7Very high90 Ų9026.9 Ų26.946%0.46215%0.15SC..Hα-helixtrans-60.4-41.6179.4-63.3165.6000111.2V134 Q136 Y140 E141V134-I138 HydrophobicContact CG1-CD1 3.65Å; V134-I138 HydrophobicContact CG1-CG1 4.37Å; V134-I138 WeakPolarHBondContact O-CG1 3.18Å; V134-I138 PolarHBondContact O-N 3.08Å; Q136-I138 PolarHBondContact O-N 3.12Å; I138-Y140 VanDerWaalsContact C-N 3.33Å; I138-Y140 PolarHBondContact O-N 3.25Å; I138-E141 PolarHBondContact O-N 3.35Å
139S91.1Very high91.9Very high5 Ų526.4 Ų26.44%0.03515%0.148CC..Hα-helixtrans-65.9-35.9-178.666.70000112.8A135 Q136 T137 L287A135-S139 WeakPolarHBondContact O-CB 3.3Å; A135-S139 PolarHBondContact O-N 2.99Å; A135-S139 VanDerWaalsContact O-N 3.15Å; A135-S139 PolarHBondContact O-OG 3.02Å; Q136-S139 PolarHBondContact O-N 2.65Å; Q136-S139 VanDerWaalsContact O-N 3.11Å; Q136-S139 PolarHBondContact O-OG 2.99Å; T137-S139 VanDerWaalsContact C-N 3.31Å; T137-S139 PolarHBondContact O-N 3.3Å; S139-L287 WeakPolarHBondContact OG-CD1 3.05Å
140Y88.9Confident92.2Very high1 Ų126.4 Ų26.40%0.00415%0.148CC..Hα-helixtrans-75.5-38.5176.3-74.1-72.6000112.7Q136 T137 I138 V142 T143 L144 A189 L283 L287Q136-Y140 HydrophobicContact CG-CD2 3.73Å; Q136-Y140 HydrophobicContact CG-CE2 3.42Å; Q136-Y140 VanDerWaalsContact CG-CE2 3.42Å; Q136-Y140 WeakPolarHBondContact O-CD2 3.41Å; Q136-Y140 PolarHBondContact O-N 3.21Å; Q136-Y140 VanDerWaalsContact O-N 3.14Å; T137-Y140 PolarHBondContact O-N 3.44Å; I138-Y140 VanDerWaalsContact C-N 3.33Å; I138-Y140 PolarHBondContact O-N 3.25Å; Y140-V142 PolarHBondContact O-N 3.28Å; Y140-T143 PolarHBondContact O-N 2.92Å; Y140-T143 PolarHBondContact O-OG1 3.39Å; Y140-L144 VanDerWaalsContact O-CB 3.32Å; Y140-L144 WeakPolarHBondContact O-CB 3.23Å; Y140-L144 PolarHBondContact O-N 3.07Å; Y140-A189 HydrophobicContact CD1-CB 3.74Å; Y140-A189 HydrophobicContact CD2-CB 3.66Å; Y140-A189 HydrophobicContact CE1-CB 3.26Å; Y140-A189 HydrophobicContact CE2-CB 3.16Å; Y140-A189 HydrophobicContact CG-CB 3.95Å; Y140-A189 VanDerWaalsContact OH-CB 3.28Å; Y140-A189 WeakPolarHBondContact OH-CB 3.22Å; Y140-L283 HydrophobicContact CE2-CD1 4.07Å; Y140-L283 HydrophobicContact CE2-CD2 3.59Å; Y140-L283 HydrophobicContact CE2-CG 4.17Å; Y140-L283 VanDerWaalsContact OH-CD1 3.29Å; Y140-L283 WeakPolarHBondContact OH-CD1 3.42Å; Y140-L283 WeakPolarHBondContact OH-CD2 3.47Å; Y140-L283 WeakPolarHBondContact OH-CG 3.39Å; Y140-L287 HydrophobicContact CD1-CD1 3.55Å; Y140-L287 HydrophobicContact CD1-CD2 3.17Å; Y140-L287 HydrophobicContact CD1-CG 3.75Å; Y140-L287 HydrophobicContact CD2-CD1 3.79Å; Y140-L287 HydrophobicContact CE1-CD1 3.39Å; Y140-L287 HydrophobicContact CE1-CD2 3.13Å; Y140-L287 HydrophobicContact CE1-CG 3.36Å; Y140-L287 HydrophobicContact CE2-CD1 3.63Å; Y140-L287 HydrophobicContact CE2-CG 4.44Å; Y140-L287 HydrophobicContact CG-CD1 3.71Å; Y140-L287 HydrophobicContact CG-CD2 4.09Å; Y140-L287 HydrophobicContact CG-CG 4.41Å
141E92.3Very high92.3Very high43 Ų4326.5 Ų26.520%0.20115%0.148CC..Hα-helixtrans-54.6-38.3-179.9-81.5173.7-155.800112.8S108 T137 I138 L144 A145S108-E141 VanDerWaalsContact CA-OE1 3.28Å; S108-E141 WeakPolarHBondContact CA-OE1 3.31Å; S108-E141 WeakPolarHBondContact CB-OE2 3.44Å; T137-E141 WeakPolarHBondContact O-CG 3.08Å; T137-E141 PolarHBondContact O-N 2.91Å; I138-E141 PolarHBondContact O-N 3.35Å; E141-L144 PolarHBondContact O-N 3.44Å; E141-A145 VanDerWaalsContact O-CB 3.31Å; E141-A145 WeakPolarHBondContact O-CB 3.38Å; E141-A145 PolarHBondContact O-N 3.4Å
142V94.4Very high92.4Very high58 Ų5822.3 Ų22.335%0.35213%0.126SC..Hα-helixtrans-60.3-49.7176.5179.10000110.7Y140 I146 L292Y140-V142 PolarHBondContact O-N 3.28Å; V142-I146 HydrophobicContact CG1-CD1 4.13Å; V142-I146 WeakPolarHBondContact O-CD1 3.1Å; V142-I146 VanDerWaalsContact O-CG1 3.31Å; V142-I146 WeakPolarHBondContact O-CG1 3.09Å; V142-I146 PolarHBondContact O-N 2.92Å; V142-L292 HydrophobicContact CG1-CD1 3.71Å
143T93.4Very high92.5Very high2 Ų223.1 Ų23.11%0.01213%0.133CC..Hα-helixtrans-68.8-38.7178.756.80000112.2Y140 A145 I146 I147 L287 F291 L292Y140-T143 PolarHBondContact O-N 2.92Å; Y140-T143 PolarHBondContact O-OG1 3.39Å; T143-A145 PolarHBondContact O-N 2.94Å; T143-I146 PolarHBondContact O-N 3.26Å; T143-I147 WeakPolarHBondContact O-CB 3.45Å; T143-I147 WeakPolarHBondContact O-CD1 3.32Å; T143-I147 WeakPolarHBondContact O-CG1 3.35Å; T143-I147 PolarHBondContact O-N 3.49Å; T143-L287 HydrophobicContact CG2-CD2 4.08Å; T143-F291 HydrophobicContact CG2-CB 4.1Å; T143-L292 HydrophobicContact CG2-CB 4.42Å
144L93.3Very high92.6Very high5 Ų525.6 Ų25.63%0.02615%0.145CC..Hα-helixtrans-58.3-48.8177.5-169.392.5000110.5L104 Y140 E141 I146 I147 L148 W183 T187L104-L144 HydrophobicContact CD2-CD2 3.6Å; L104-L144 HydrophobicContact CD2-CG 4.4Å; Y140-L144 VanDerWaalsContact O-CB 3.32Å; Y140-L144 WeakPolarHBondContact O-CB 3.23Å; Y140-L144 PolarHBondContact O-N 3.07Å; E141-L144 PolarHBondContact O-N 3.44Å; L144-I146 PolarHBondContact O-N 3.47Å; L144-I147 PolarHBondContact O-N 3.45Å; L144-L148 HydrophobicContact CD2-CD1 4.32Å; L144-L148 HydrophobicContact CG-CD1 4.1Å; L144-L148 WeakPolarHBondContact O-CB 3.19Å; L144-L148 WeakPolarHBondContact O-CD1 3.33Å; L144-L148 VanDerWaalsContact O-CG 3.25Å; L144-L148 WeakPolarHBondContact O-CG 3.07Å; L144-L148 PolarHBondContact O-N 3.23Å; L144-W183 HydrophobicContact CD1-CE3 3.9Å; L144-W183 HydrophobicContact CD1-CH2 3.39Å; L144-W183 HydrophobicContact CD1-CZ2 4.2Å; L144-W183 HydrophobicContact CD1-CZ3 3.21Å; L144-W183 HydrophobicContact CD2-CH2 4.47Å; L144-W183 HydrophobicContact CG-CE3 4.42Å; L144-W183 HydrophobicContact CG-CH2 3.85Å; L144-W183 HydrophobicContact CG-CZ3 3.49Å; L144-W183 VanDerWaalsContact CG-CZ3 3.49Å; L144-T187 HydrophobicContact CD1-CG2 4.31Å
145A95.1Very high92.6Very high40 Ų4024.7 Ų24.733%0.33114%0.14SC..Hα-helixtrans-63.5-41.6179.400000112.6L104 E141 T143 L149L104-A145 HydrophobicContact CD2-CB 4.38Å; E141-A145 VanDerWaalsContact O-CB 3.31Å; E141-A145 WeakPolarHBondContact O-CB 3.38Å; E141-A145 PolarHBondContact O-N 3.4Å; T143-A145 PolarHBondContact O-N 2.94Å; A145-L149 WeakPolarHBondContact O-CB 3.26Å; A145-L149 PolarHBondContact O-N 3.17Å
146I95.3Very high92.6Very high29 Ų2924.8 Ų24.815%0.14914%0.144CC..Hα-helixtrans-68.4-42.5178.2-63.1165.1000110.7V142 T143 L144 L149 S150 L296 L299V142-I146 HydrophobicContact CG1-CD1 4.13Å; V142-I146 WeakPolarHBondContact O-CD1 3.1Å; V142-I146 VanDerWaalsContact O-CG1 3.31Å; V142-I146 WeakPolarHBondContact O-CG1 3.09Å; V142-I146 PolarHBondContact O-N 2.92Å; T143-I146 PolarHBondContact O-N 3.26Å; L144-I146 PolarHBondContact O-N 3.47Å; I146-L149 PolarHBondContact O-N 3.31Å; I146-S150 PolarHBondContact O-N 3.24Å; I146-S150 PolarHBondContact O-OG 3.03Å; I146-L296 HydrophobicContact CD1-CD2 4.16Å; I146-L299 HydrophobicContact CG2-CB 4.18Å; I146-L299 HydrophobicContact CG2-CD1 4.39Å; I146-L299 HydrophobicContact CG2-CD2 4.37Å
147I95.8Very high92.7Very high0 Ų025.5 Ų25.50%015%0.149CC..Hα-helixtrans-61.5-47.9176.5-67.3162.3000109.9T143 L144 L149 S150 T151 L179 M182 W183 T295T143-I147 WeakPolarHBondContact O-CB 3.45Å; T143-I147 WeakPolarHBondContact O-CD1 3.32Å; T143-I147 WeakPolarHBondContact O-CG1 3.35Å; T143-I147 PolarHBondContact O-N 3.49Å; L144-I147 PolarHBondContact O-N 3.45Å; I147-L149 PolarHBondContact O-N 3.39Å; I147-S150 WeakPolarHBondContact CA-OG 3.36Å; I147-S150 PolarHBondContact O-N 3.1Å; I147-S150 PolarHBondContact O-OG 2.86Å; I147-T151 WeakPolarHBondContact O-CG2 3.37Å; I147-T151 PolarHBondContact O-N 3.1Å; I147-T151 PolarHBondContact O-OG1 2.83Å; I147-L179 HydrophobicContact CG1-CD2 4.22Å; I147-L179 HydrophobicContact CG2-CB 4.1Å; I147-L179 HydrophobicContact CG2-CD2 4.21Å; I147-M182 HydrophobicContact CD1-CB 3.82Å; I147-W183 HydrophobicContact CB-CE3 4.33Å; I147-W183 HydrophobicContact CG2-CB 3.99Å; I147-W183 HydrophobicContact CG2-CE3 3.9Å; I147-T295 HydrophobicContact CD1-CG2 3.87Å; I147-T295 HydrophobicContact CG1-CG2 3.55Å
148L94.6Very high92.9Very high6 Ų628.4 Ų28.43%0.03116%0.161CC..Hα-helixtrans-57.2-49.4176.3-76.6165.2000111.7L100 L104 L144 S150 T151 L152 W183 I239L100-L148 HydrophobicContact CD1-CD2 3.83Å; L100-L148 HydrophobicContact CD2-CB 3.93Å; L100-L148 HydrophobicContact CD2-CD1 3.78Å; L100-L148 HydrophobicContact CD2-CD2 3.93Å; L100-L148 HydrophobicContact CD2-CG 4.04Å; L100-L148 HydrophobicContact CG-CD2 4.31Å; L104-L148 HydrophobicContact CD1-CD1 3.78Å; L104-L148 HydrophobicContact CD2-CD1 3.68Å; L104-L148 HydrophobicContact CG-CD1 3.77Å; L144-L148 HydrophobicContact CD2-CD1 4.32Å; L144-L148 HydrophobicContact CG-CD1 4.1Å; L144-L148 WeakPolarHBondContact O-CB 3.19Å; L144-L148 WeakPolarHBondContact O-CD1 3.33Å; L144-L148 VanDerWaalsContact O-CG 3.25Å; L144-L148 WeakPolarHBondContact O-CG 3.07Å; L144-L148 PolarHBondContact O-N 3.23Å; L148-S150 VanDerWaalsContact C-N 3.29Å; L148-S150 PolarHBondContact O-N 3.27Å; L148-T151 WeakPolarHBondContact CA-OG1 3.5Å; L148-T151 PolarHBondContact O-N 3.38Å; L148-T151 VanDerWaalsContact O-N 3.15Å; L148-T151 PolarHBondContact O-OG1 2.84Å; L148-L152 WeakPolarHBondContact O-CB 3.36Å; L148-L152 VanDerWaalsContact O-CG 3.24Å; L148-L152 WeakPolarHBondContact O-CG 3.46Å; L148-L152 PolarHBondContact O-N 3.18Å; L148-W183 HydrophobicContact CD1-CH2 3.8Å; L148-W183 HydrophobicContact CD1-CZ3 3.58Å; L148-W183 HydrophobicContact CD2-CE3 4.22Å; L148-W183 HydrophobicContact CD2-CH2 3.7Å; L148-W183 HydrophobicContact CD2-CZ3 3.5Å; L148-W183 VanDerWaalsContact CD2-CZ3 3.5Å; L148-W183 HydrophobicContact CG-CE3 4.18Å; L148-W183 HydrophobicContact CG-CH2 3.88Å; L148-W183 HydrophobicContact CG-CZ3 3.33Å; L148-I239 HydrophobicContact CD2-CD1 3.29Å
149L94.8Very high93.1Very high75 Ų7525.1 Ų25.139%0.39314%0.144SC..Hα-helixtrans-55.3-46.7177.2-177.365000111.2A145 I146 I147 T151 L152 L153 L299A145-L149 WeakPolarHBondContact O-CB 3.26Å; A145-L149 PolarHBondContact O-N 3.17Å; I146-L149 PolarHBondContact O-N 3.31Å; I147-L149 PolarHBondContact O-N 3.39Å; L149-T151 VanDerWaalsContact C-N 3.35Å; L149-T151 PolarHBondContact O-N 2.97Å; L149-L152 PolarHBondContact O-N 3.32Å; L149-L153 WeakPolarHBondContact O-CG 3.02Å; L149-L153 PolarHBondContact O-N 3.25Å; L149-L153 VanDerWaalsContact O-N 3.15Å; L149-L299 HydrophobicContact CB-CD1 4.34Å; L149-L299 HydrophobicContact CD2-CD1 3.83Å; L149-L299 HydrophobicContact CG-CD1 4Å
150S94.1Very high93.1Very high0 Ų025 Ų250%014%0.143CC..Hα-helixtrans-63.7-36.2179.464.30000113.5I146 I147 L148 L179I146-S150 PolarHBondContact O-N 3.24Å; I146-S150 PolarHBondContact O-OG 3.03Å; I147-S150 WeakPolarHBondContact CA-OG 3.36Å; I147-S150 PolarHBondContact O-N 3.1Å; I147-S150 PolarHBondContact O-OG 2.86Å; L148-S150 VanDerWaalsContact C-N 3.29Å; L148-S150 PolarHBondContact O-N 3.27Å; S150-L179 WeakPolarHBondContact OG-CD1 3.25Å; S150-L179 WeakPolarHBondContact OG-CD2 3.4Å
151T92.7Very high93.3Very high1 Ų126.4 Ų26.41%0.00615%0.153CC..Hα-helixtrans-70.7-35.517457.60000112.8I147 L148 L149 L153 M154 L172 L179 I239 F240I147-T151 WeakPolarHBondContact O-CG2 3.37Å; I147-T151 PolarHBondContact O-N 3.1Å; I147-T151 PolarHBondContact O-OG1 2.83Å; L148-T151 WeakPolarHBondContact CA-OG1 3.5Å; L148-T151 PolarHBondContact O-N 3.38Å; L148-T151 VanDerWaalsContact O-N 3.15Å; L148-T151 PolarHBondContact O-OG1 2.84Å; L149-T151 VanDerWaalsContact C-N 3.35Å; L149-T151 PolarHBondContact O-N 2.97Å; T151-L153 VanDerWaalsContact C-N 3.3Å; T151-L153 PolarHBondContact O-N 3.23Å; T151-M154 WeakPolarHBondContact O-CB 3.17Å; T151-M154 PolarHBondContact O-N 2.87Å; T151-M154 VanDerWaalsContact O-N 3.15Å; T151-L172 HydrophobicContact CG2-CD2 4.29Å; T151-L179 HydrophobicContact CG2-CB 4.49Å; T151-L179 HydrophobicContact CG2-CD1 4.02Å; T151-I239 HydrophobicContact CG2-CG2 4.31Å; T151-F240 HydrophobicContact CG2-CE1 3.7Å; T151-F240 HydrophobicContact CG2-CZ 3.66Å
152L92.7Very high93.3Very high10 Ų1025.5 Ų25.55%0.05215%0.151CC..Hα-helixtrans-71.8-23.4-179.6-72.2174.7000113.3L100 L148 L149 M154 S155 G156 S157 F158 L163L100-L152 HydrophobicContact CD1-CD1 4Å; L100-L152 HydrophobicContact CD1-CD2 3.8Å; L100-L152 HydrophobicContact CD1-CG 4.11Å; L100-L152 HydrophobicContact CD2-CD1 4Å; L100-L152 HydrophobicContact CG-CD1 4.4Å; L148-L152 WeakPolarHBondContact O-CB 3.36Å; L148-L152 VanDerWaalsContact O-CG 3.24Å; L148-L152 WeakPolarHBondContact O-CG 3.46Å; L148-L152 PolarHBondContact O-N 3.18Å; L149-L152 PolarHBondContact O-N 3.32Å; L152-M154 PolarHBondContact O-N 2.65Å; L152-M154 VanDerWaalsContact O-N 3.16Å; L152-S155 WeakPolarHBondContact CA-OG 3.5Å; L152-S155 WeakPolarHBondContact CD2-OG 3.12Å; L152-S155 PolarHBondContact O-N 2.6Å; L152-S155 PolarHBondContact O-OG 3.08Å; L152-G156 PolarHBondContact O-N 3.49Å; L152-S157 WeakPolarHBondContact CD2-O 3.36Å; L152-F158 HydrophobicContact CD1-CD1 3.37Å; L152-F158 HydrophobicContact CD1-CE1 3.49Å; L152-F158 VanDerWaalsContact CD1-CE1 3.49Å; L152-F158 HydrophobicContact CD1-CG 4.38Å; L152-L163 HydrophobicContact CD2-CD1 4.39Å
153L93.3Very high93.2Very high58 Ų5822.8 Ų22.830%0.30413%0.134SC..THydrogen-bonded Turntrans-61-20.9171-69171000112.5L149 T151 L299 V303 P313L149-L153 WeakPolarHBondContact O-CG 3.02Å; L149-L153 PolarHBondContact O-N 3.25Å; L149-L153 VanDerWaalsContact O-N 3.15Å; T151-L153 VanDerWaalsContact C-N 3.3Å; T151-L153 PolarHBondContact O-N 3.23Å; L153-L299 HydrophobicContact CD1-CD1 4.44Å; L153-V303 HydrophobicContact CD1-CB 4.38Å; L153-V303 HydrophobicContact CD1-CG2 3.46Å; L153-V303 VanDerWaalsContact CD1-CG2 3.46Å; L153-P313 WeakPolarHBondContact O-CD 3.48Å; L153-P313 VanDerWaalsContact O-CG 3.25Å; L153-P313 WeakPolarHBondContact O-CG 3.46Å
154M90.8Very high93.2Very high52 Ų5223.1 Ų23.126%0.25614%0.136SC..THydrogen-bonded Turntrans-86.5-22.3172.9-59.1-170.464.400113.3T151 L152 L172 P175 Y302 P313T151-M154 WeakPolarHBondContact O-CB 3.17Å; T151-M154 PolarHBondContact O-N 2.87Å; T151-M154 VanDerWaalsContact O-N 3.15Å; L152-M154 PolarHBondContact O-N 2.65Å; L152-M154 VanDerWaalsContact O-N 3.16Å; M154-L172 HydrophobicContact CB-CD1 3.94Å; M154-L172 HydrophobicContact CE-CD1 3.95Å; M154-L172 HydrophobicContact CG-CD1 4.47Å; M154-L172 HydrophobicContact SD-CD1 3.8Å; M154-P175 HydrophobicContact CE-CB 3.79Å; M154-P175 HydrophobicContact CE-CG 3.63Å; M154-P175 HydrophobicContact SD-CB 4.33Å; M154-P175 HydrophobicContact SD-CG 4.22Å; M154-Y302 HydrophobicContact CG-CD1 4.22Å; M154-Y302 HydrophobicContact SD-CD1 4.05Å; M154-Y302 HydrophobicContact SD-CE1 3.84Å; M154-P313 WeakPolarHBondContact O-CB 3.42Å
155S91.6Very high93.1Very high5 Ų526.7 Ų26.74%0.03516%0.158CC..THydrogen-bonded Turntrans-93.4-27.5178.4660000114L152 S157L152-S155 WeakPolarHBondContact CA-OG 3.5Å; L152-S155 WeakPolarHBondContact CD2-OG 3.12Å; L152-S155 PolarHBondContact O-N 2.6Å; L152-S155 PolarHBondContact O-OG 3.08Å; S155-S157 VanDerWaalsContact C-N 3.25Å; S155-S157 PolarHBondContact O-N 3.4Å; S155-S157 PolarHBondContact OG-O 2.8Å; S155-S157 VanDerWaalsContact OG-O 3.09Å
156G90.5Very high93Very high30 Ų3027.2 Ų27.231%0.30916%0.157SC..SBendtrans81.1-9179.300000115.4L152L152-G156 PolarHBondContact O-N 3.49Å
157S93.1Very high92.8Very high16 Ų1626 Ų2611%0.11215%0.151CC..SBendtrans-146.4155.1-177.756.30000112.4L152 S155 N159 T162L152-S157 WeakPolarHBondContact CD2-O 3.36Å; S155-S157 VanDerWaalsContact C-N 3.25Å; S155-S157 PolarHBondContact O-N 3.4Å; S155-S157 PolarHBondContact OG-O 2.8Å; S155-S157 VanDerWaalsContact OG-O 3.09Å; S157-N159 VanDerWaalsContact C-N 3.33Å; S157-T162 VanDerWaalsContact OG-CB 3.28Å; S157-T162 WeakPolarHBondContact OG-CB 2.89Å; S157-T162 WeakPolarHBondContact OG-CG2 3.33Å; S157-T162 PolarHBondContact OG-OG1 2.89Å
158F93.1Very high92.6Very high70 Ų7030.1 Ų30.131%0.30717%0.17SC..SBendtrans-86.90.7179.3-68.8-83.1000114N97 L98 G99 L100 L101 L152N97-F158 CarbonylContact O-C 3.54Å; L98-F158 HydrophobicContact CD2-CB 3.97Å; L98-F158 HydrophobicContact CD2-CD2 3.97Å; L98-F158 HydrophobicContact CD2-CG 4.18Å; G99-F158 PolarHBondContact N-O 3.18Å; L100-F158 PolarHBondContact N-O 2.82Å; L100-F158 VanDerWaalsContact N-O 3.13Å; L101-F158 HydrophobicContact CD1-CD1 4.16Å; L101-F158 HydrophobicContact CD1-CE1 4.28Å; L101-F158 HydrophobicContact CD1-CG 4.33Å; L101-F158 HydrophobicContact CD2-CD1 4.29Å; L101-F158 HydrophobicContact CD2-CE1 4.1Å; L101-F158 HydrophobicContact CG-CD1 3.82Å; L101-F158 HydrophobicContact CG-CE1 4.08Å; L101-F158 HydrophobicContact CG-CG 4.36Å; L152-F158 HydrophobicContact CD1-CD1 3.37Å; L152-F158 HydrophobicContact CD1-CE1 3.49Å; L152-F158 VanDerWaalsContact CD1-CE1 3.49Å; L152-F158 HydrophobicContact CD1-CG 4.38Å
159N94.3Very high92.3Very high21 Ų2138.2 Ų38.211%0.11221%0.207CC..  trans-75.3136.8177.9-167.1-23000109.1N95 N97 S157 S161 T162N95-N159 PolarHBondContact OD1-ND2 3.09Å; N95-N159 PolarHBondContact OD1-OD1 3.36Å; N97-N159 PolarHBondContact O-N 2.86Å; S157-N159 VanDerWaalsContact C-N 3.33Å; N159-S161 VanDerWaalsContact C-N 3.33Å; N159-S161 PolarHBondContact ND2-OG 2.82Å; N159-S161 PolarHBondContact OD1-N 3.49Å; N159-S161 PolarHBondContact OD1-OG 3.38Å; N159-T162 HydrophobicContact CB-CG2 4.09Å; N159-T162 PolarHBondContact O-OG1 3.13Å
160L92.2Very high92.2Very high2 Ų240.3 Ų40.31%0.0122%0.218CC..THydrogen-bonded Turntrans-75.1-24.9177.6-70.2171.2000112.6P86 L87 P88 L100 I103 L163P86-L160 HydrophobicContact CB-CD1 4.18Å; P86-L160 HydrophobicContact CG-CD1 4.33Å; P86-L160 WeakPolarHBondContact O-CD1 3.18Å; L87-L160 HydrophobicContact CD2-CD1 4.19Å; P88-L160 HydrophobicContact CG-CB 3.85Å; L100-L160 HydrophobicContact CB-CD2 4.44Å; L100-L160 HydrophobicContact CD1-CD2 4.22Å; I103-L160 HydrophobicContact CD1-CD1 3.58Å; L160-L163 HydrophobicContact CD2-CD1 3.94Å; L160-L163 WeakPolarHBondContact O-CB 3.31Å; L160-L163 PolarHBondContact O-N 3.22Å
161S92Very high92.3Very high32 Ų3246.3 Ų46.322%0.22424%0.241CC..THydrogen-bonded Turntrans-69.4-33.4177.756.50000112.5N159 L163 I164N159-S161 VanDerWaalsContact C-N 3.33Å; N159-S161 PolarHBondContact ND2-OG 2.82Å; N159-S161 PolarHBondContact OD1-N 3.49Å; N159-S161 PolarHBondContact OD1-OG 3.38Å; S161-L163 VanDerWaalsContact C-N 3.26Å; S161-L163 PolarHBondContact O-N 3.16Å; S161-I164 WeakPolarHBondContact O-CB 3.11Å; S161-I164 PolarHBondContact O-N 2.89Å; S161-I164 VanDerWaalsContact O-N 3.11Å
162T92.2Very high92.3Very high23 Ų2346.7 Ų46.714%0.14124%0.243CC..Hα-helixtrans-70.6-22.9176.256.50000112.3S157 N159 I164 T165 T166S157-T162 VanDerWaalsContact OG-CB 3.28Å; S157-T162 WeakPolarHBondContact OG-CB 2.89Å; S157-T162 WeakPolarHBondContact OG-CG2 3.33Å; S157-T162 PolarHBondContact OG-OG1 2.89Å; N159-T162 HydrophobicContact CB-CG2 4.09Å; N159-T162 PolarHBondContact O-OG1 3.13Å; T162-I164 PolarHBondContact O-N 3.1Å; T162-T165 WeakPolarHBondContact CA-OG1 3.4Å; T162-T165 PolarHBondContact O-N 3.21Å; T162-T165 PolarHBondContact O-OG1 3.2Å; T162-T166 WeakPolarHBondContact O-CG2 3.06Å; T162-T166 PolarHBondContact O-N 3.25Å; T162-T166 PolarHBondContact O-OG1 3.01Å
163L93.1Very high92.4Very high1 Ų149 Ų491%0.00526%0.255CS..Hα-helixtrans-66.1-22.1170.9-82.5163.9000113.1L100 L152 L160 S161 T166 Q167 I239L100-L163 HydrophobicContact CD1-CD1 4.4Å; L152-L163 HydrophobicContact CD2-CD1 4.39Å; L160-L163 HydrophobicContact CD2-CD1 3.94Å; L160-L163 WeakPolarHBondContact O-CB 3.31Å; L160-L163 PolarHBondContact O-N 3.22Å; S161-L163 VanDerWaalsContact C-N 3.26Å; S161-L163 PolarHBondContact O-N 3.16Å; L163-T166 WeakPolarHBondContact CA-OG1 3.35Å; L163-T166 PolarHBondContact O-OG1 2.84Å; L163-T166 VanDerWaalsContact O-OG1 3.05Å; L163-Q167 WeakPolarHBondContact O-CG 3.16Å; L163-Q167 PolarHBondContact O-NE2 3.36Å; L163-I239 HydrophobicContact CD1-CG1 4.2Å
164I92.7Very high92.4Very high10 Ų1051.3 Ų51.35%0.05127%0.267CS..Hα-helixtrans-72.2-48173.4-60.9172.6000109.2P88 S161 T162 T166 Q167 Y253P88-I164 HydrophobicContact CB-CD1 3.78Å; P88-I164 HydrophobicContact CG-CD1 4.01Å; S161-I164 WeakPolarHBondContact O-CB 3.11Å; S161-I164 PolarHBondContact O-N 2.89Å; S161-I164 VanDerWaalsContact O-N 3.11Å; T162-I164 PolarHBondContact O-N 3.1Å; I164-T166 VanDerWaalsContact C-N 3.31Å; I164-T166 PolarHBondContact O-N 3.28Å; I164-Q167 PolarHBondContact O-N 2.93Å; I164-Y253 HydrophobicContact CD1-CE1 4.47Å; I164-Y253 HydrophobicContact CD1-CE2 3.95Å; I164-Y253 WeakPolarHBondContact CD1-OH 3.32Å; I164-Y253 HydrophobicContact CG1-CE2 4.18Å; I164-Y253 WeakPolarHBondContact CG1-OH 3.46Å; I164-Y253 HydrophobicContact CG2-CE2 3.74Å
165T91.3Very high92.5Very high79 Ų7951.4 Ų51.449%0.48527%0.272SS..Hα-helixtrans-65.4-34.4-179.753.70000112T162 Q167 E168T162-T165 WeakPolarHBondContact CA-OG1 3.4Å; T162-T165 PolarHBondContact O-N 3.21Å; T162-T165 PolarHBondContact O-OG1 3.2Å; T165-Q167 PolarHBondContact O-N 3.38Å; T165-E168 WeakPolarHBondContact O-CG 3.29Å; T165-E168 PolarHBondContact O-N 3.36Å
166T92.6Very high92.7Very high51 Ų5151.1 Ų51.131%0.31327%0.27SS..Hα-helixtrans-68.8-23.4178.4620000113T162 L163 I164T162-T166 WeakPolarHBondContact O-CG2 3.06Å; T162-T166 PolarHBondContact O-N 3.25Å; T162-T166 PolarHBondContact O-OG1 3.01Å; L163-T166 WeakPolarHBondContact CA-OG1 3.35Å; L163-T166 PolarHBondContact O-OG1 2.84Å; L163-T166 VanDerWaalsContact O-OG1 3.05Å; I164-T166 VanDerWaalsContact C-N 3.31Å; I164-T166 PolarHBondContact O-N 3.28Å
167Q92.8Very high92.9Very high3 Ų357.9 Ų57.91%0.01429%0.286CS..THydrogen-bonded Turntrans-101.413.1-176.4-68.6176.666.500113.5L163 I164 T165 H169 L170 L172 T238 I239 F240 G242L163-Q167 WeakPolarHBondContact O-CG 3.16Å; L163-Q167 PolarHBondContact O-NE2 3.36Å; I164-Q167 PolarHBondContact O-N 2.93Å; T165-Q167 PolarHBondContact O-N 3.38Å; Q167-H169 PolarHBondContact O-N 3.18Å; Q167-L170 WeakPolarHBondContact CA-O 3.49Å; Q167-L172 HydrophobicContact CG-CB 4.05Å; Q167-T238 PolarHBondContact NE2-O 2.95Å; Q167-I239 PolarHBondContact NE2-O 3.45Å; Q167-I239 PolarHBondContact OE1-O 2.93Å; Q167-F240 PolarHBondContact OE1-O 2.98Å; Q167-G242 VanDerWaalsContact OE1-CA 3.31Å
168E90.4Very high93Very high88 Ų8858.5 Ų58.541%0.41129%0.29SS..SBendtrans-62.3-42179.8-76.9-178.6-173.400112.8T165T165-E168 WeakPolarHBondContact O-CG 3.29Å; T165-E168 PolarHBondContact O-N 3.36Å
169H89.1Confident93.1Very high176 Ų17655.2 Ų55.282%0.81528%0.275SS*.SBendtrans-89.9-43.2-176.9-62.2-46.8000113.3Q167Q167-H169 PolarHBondContact O-N 3.18Å
170L92.8Very high93.1Very high119 Ų11954.8 Ų54.862%0.62328%0.275SS*.SBendtrans-141139.6-177.1-70.8172.2000109.3Q167 L174Q167-L170 WeakPolarHBondContact CA-O 3.49Å; L170-L174 HydrophobicContact CD2-CD1 4.22Å
171W94.4Very high93.3Very high125 Ų12559.9 Ų59.947%0.47330%0.3SS..  trans-64.8138.1171.6-62.6-23.7000110.7L173 L174 P175 L241 G242W171-L173 HydrophobicContact CB-CB 4.5Å; W171-L173 PolarHBondContact O-N 3.11Å; W171-L173 VanDerWaalsContact O-N 3.12Å; W171-L174 PolarHBondContact O-N 3.3Å; W171-L174 VanDerWaalsContact O-N 3.11Å; W171-P175 VanDerWaalsContact O-CD 3.24Å; W171-P175 WeakPolarHBondContact O-CD 3.33Å; W171-L241 HydrophobicContact CD2-CD2 4.36Å; W171-L241 HydrophobicContact CE3-CD2 4.09Å; W171-G242 PolarHBondContact NE1-O 3.33Å
172L94.4Very high93.5Very high9 Ų958.8 Ų58.85%0.04729%0.291CS..THydrogen-bonded Turntrans-63.4-21.7179-156.874.6000111.7T151 M154 Q167 L174 P175 S176 I239 F240T151-L172 HydrophobicContact CG2-CD2 4.29Å; M154-L172 HydrophobicContact CB-CD1 3.94Å; M154-L172 HydrophobicContact CE-CD1 3.95Å; M154-L172 HydrophobicContact CG-CD1 4.47Å; M154-L172 HydrophobicContact SD-CD1 3.8Å; Q167-L172 HydrophobicContact CG-CB 4.05Å; L172-L174 PolarHBondContact O-N 3.08Å; L172-P175 VanDerWaalsContact O-CD 3.25Å; L172-P175 WeakPolarHBondContact O-CD 3.2Å; L172-P175 WeakPolarHBondContact O-CG 3.33Å; L172-S176 WeakPolarHBondContact O-CB 3.06Å; L172-S176 PolarHBondContact O-N 3.24Å; L172-S176 VanDerWaalsContact O-N 3.1Å; L172-S176 PolarHBondContact O-OG 3.44Å; L172-I239 VanDerWaalsContact CB-O 3.27Å; L172-I239 WeakPolarHBondContact CB-O 3.33Å; L172-I239 HydrophobicContact CD2-CG2 4.24Å; L172-I239 VanDerWaalsContact CD2-O 3.25Å; L172-I239 WeakPolarHBondContact CD2-O 3.01Å; L172-F240 PolarHBondContact N-O 3.27Å
173L94.4Very high93.6Very high60 Ų6057.9 Ų57.931%0.31429%0.285SS..THydrogen-bonded Turntrans-55.1-35.7173.3-172.4137000113.4W171 S176 W177 A180 F240 L241W171-L173 HydrophobicContact CB-CB 4.5Å; W171-L173 PolarHBondContact O-N 3.11Å; W171-L173 VanDerWaalsContact O-N 3.12Å; L173-S176 CarbonylContact O-C 3.39Å; L173-W177 WeakPolarHBondContact O-CA 3.49Å; L173-W177 VanDerWaalsContact O-CB 3.27Å; L173-W177 WeakPolarHBondContact O-CB 3.3Å; L173-W177 PolarHBondContact O-N 2.8Å; L173-A180 HydrophobicContact CD1-CB 4.32Å; L173-A180 HydrophobicContact CG-CB 4.27Å; L173-F240 HydrophobicContact CB-CB 4.15Å; L173-F240 WeakPolarHBondContact CB-O 3.19Å; L173-F240 HydrophobicContact CD1-CB 4.49Å; L173-F240 PolarHBondContact N-O 2.86Å; L173-F240 VanDerWaalsContact N-O 3.09Å; L173-L241 HydrophobicContact CB-CD2 4.23Å; L173-L241 HydrophobicContact CD1-CD2 3.93Å; L173-L241 HydrophobicContact CD1-CG 4.33Å
174L93.4Very high93.7Very high105 Ų10559 Ų5955%0.5529%0.29SS..THydrogen-bonded Turntrans-69-55.3-176.4-69.3171.8000113L170 W171 L172 S176L170-L174 HydrophobicContact CD2-CD1 4.22Å; W171-L174 PolarHBondContact O-N 3.3Å; W171-L174 VanDerWaalsContact O-N 3.11Å; L172-L174 PolarHBondContact O-N 3.08Å; L174-S176 VanDerWaalsContact C-N 3.26Å; L174-S176 PolarHBondContact O-N 3.09Å
175P92.5Very high93.8Very high54 Ų5460.2 Ų60.235%0.35130%0.296SS..THydrogen-bonded Turntrans-67.9-29.4176.826.7-34.5000112.2M154 W171 L172 Y302M154-P175 HydrophobicContact CE-CB 3.79Å; M154-P175 HydrophobicContact CE-CG 3.63Å; M154-P175 HydrophobicContact SD-CB 4.33Å; M154-P175 HydrophobicContact SD-CG 4.22Å; W171-P175 VanDerWaalsContact O-CD 3.24Å; W171-P175 WeakPolarHBondContact O-CD 3.33Å; L172-P175 VanDerWaalsContact O-CD 3.25Å; L172-P175 WeakPolarHBondContact O-CD 3.2Å; L172-P175 WeakPolarHBondContact O-CG 3.33Å; P175-Y302 PolarHBondContact O-OH 3.14Å; P175-Y302 VanDerWaalsContact O-OH 3.08Å
176S94.7Very high93.9Very high0 Ų056.5 Ų56.50%027%0.273CS..THydrogen-bonded Turntrans-112.928.8-173.173.70000115.6L172 L173 L174 P178 L179 A180 F240 Y302L172-S176 WeakPolarHBondContact O-CB 3.06Å; L172-S176 PolarHBondContact O-N 3.24Å; L172-S176 VanDerWaalsContact O-N 3.1Å; L172-S176 PolarHBondContact O-OG 3.44Å; L173-S176 CarbonylContact O-C 3.39Å; L174-S176 VanDerWaalsContact C-N 3.26Å; L174-S176 PolarHBondContact O-N 3.09Å; S176-P178 VanDerWaalsContact C-N 3.33Å; S176-P178 VanDerWaalsContact O-N 3.14Å; S176-L179 WeakPolarHBondContact O-CA 3.48Å; S176-L179 WeakPolarHBondContact O-CB 3.35Å; S176-L179 PolarHBondContact O-N 2.9Å; S176-A180 PolarHBondContact O-N 2.65Å; S176-F240 VanDerWaalsContact OG-CE1 3.3Å; S176-F240 WeakPolarHBondContact OG-CE1 3.41Å; S176-Y302 VanDerWaalsContact CA-OH 3.25Å; S176-Y302 WeakPolarHBondContact CA-OH 3.24Å
177W94.9Very high93.9Very high172 Ų17254 Ų5465%0.65226%0.258SS*.Hα-helixtrans-53.8-36.8-175.878.6-95.4000115.1L173 L179 A180 M181L173-W177 WeakPolarHBondContact O-CA 3.49Å; L173-W177 VanDerWaalsContact O-CB 3.27Å; L173-W177 WeakPolarHBondContact O-CB 3.3Å; L173-W177 PolarHBondContact O-N 2.8Å; W177-L179 VanDerWaalsContact C-N 3.35Å; W177-A180 PolarHBondContact O-N 3.44Å; W177-M181 PolarHBondContact O-N 3.3Å
178P95.3Very high93.9Very high29 Ų2954.1 Ų54.119%0.18826%0.259CS..Hα-helixtrans-68.8-37.1177.6-15.931.4000111.6S176 M182 L298S176-P178 VanDerWaalsContact C-N 3.33Å; S176-P178 VanDerWaalsContact O-N 3.14Å; P178-M182 WeakPolarHBondContact O-CG 3.27Å; P178-M182 PolarHBondContact O-N 3.24Å; P178-M182 VanDerWaalsContact O-N 3.12Å; P178-L298 HydrophobicContact CB-CD1 3.95Å
179L95.4Very high93.9Very high0 Ų050 Ų500%024%0.239CC..Hα-helixtrans-66.4-44174-68.3177000110.5I147 S150 T151 S176 W177 M181 M182 W183 L298 Y302I147-L179 HydrophobicContact CG1-CD2 4.22Å; I147-L179 HydrophobicContact CG2-CB 4.1Å; I147-L179 HydrophobicContact CG2-CD2 4.21Å; S150-L179 WeakPolarHBondContact OG-CD1 3.25Å; S150-L179 WeakPolarHBondContact OG-CD2 3.4Å; T151-L179 HydrophobicContact CG2-CB 4.49Å; T151-L179 HydrophobicContact CG2-CD1 4.02Å; S176-L179 WeakPolarHBondContact O-CA 3.48Å; S176-L179 WeakPolarHBondContact O-CB 3.35Å; S176-L179 PolarHBondContact O-N 2.9Å; W177-L179 VanDerWaalsContact C-N 3.35Å; L179-M181 VanDerWaalsContact C-N 3.3Å; L179-M181 PolarHBondContact O-N 3.03Å; L179-M182 HydrophobicContact CD2-CE 3.93Å; L179-M182 PolarHBondContact O-N 3.35Å; L179-W183 WeakPolarHBondContact O-CB 3.46Å; L179-W183 PolarHBondContact O-N 3.4Å; L179-L298 HydrophobicContact CD2-CB 3.96Å; L179-L298 HydrophobicContact CD2-CD1 3.66Å; L179-L298 HydrophobicContact CD2-CG 4.47Å; L179-L298 HydrophobicContact CG-CD1 4.07Å; L179-Y302 HydrophobicContact CD1-CD2 3.6Å; L179-Y302 HydrophobicContact CD1-CE1 4.44Å; L179-Y302 HydrophobicContact CD1-CE2 3.15Å; L179-Y302 HydrophobicContact CD1-CG 4.46Å; L179-Y302 HydrophobicContact CD2-CE2 4.48Å; L179-Y302 HydrophobicContact CG-CD2 4.48Å; L179-Y302 HydrophobicContact CG-CE2 3.77Å
180A95.6Very high94Very high12 Ų1242.8 Ų42.810%0.09921%0.206CC..Hα-helixtrans-59.2-40.3177.900000112.1L173 S176 W177 W183 F184 F240L173-A180 HydrophobicContact CD1-CB 4.32Å; L173-A180 HydrophobicContact CG-CB 4.27Å; S176-A180 PolarHBondContact O-N 2.65Å; W177-A180 PolarHBondContact O-N 3.44Å; A180-W183 WeakPolarHBondContact O-CB 3.39Å; A180-F184 VanDerWaalsContact O-CB 3.29Å; A180-F184 WeakPolarHBondContact O-CB 3.26Å; A180-F184 PolarHBondContact O-N 2.91Å; A180-F240 HydrophobicContact CB-CD1 3.55Å; A180-F240 HydrophobicContact CB-CD2 4.36Å; A180-F240 HydrophobicContact CB-CE1 3.61Å; A180-F240 HydrophobicContact CB-CE2 4.45Å; A180-F240 HydrophobicContact CB-CG 3.93Å; A180-F240 HydrophobicContact CB-CZ 4.08Å
181M94.9Very high93.8Very high110 Ų11037.4 Ų37.454%0.54218%0.178SC..Hα-helixtrans-68-47176.9-172.465.4-172.200112W177 L179 W183 F184 I185W177-M181 PolarHBondContact O-N 3.3Å; L179-M181 VanDerWaalsContact C-N 3.3Å; L179-M181 PolarHBondContact O-N 3.03Å; M181-W183 VanDerWaalsContact C-N 3.31Å; M181-W183 PolarHBondContact O-N 3.29Å; M181-F184 PolarHBondContact O-N 2.95Å; M181-I185 HydrophobicContact CE-CD1 4.01Å; M181-I185 HydrophobicContact CE-CG1 4.39Å; M181-I185 HydrophobicContact CG-CD1 4.45Å; M181-I185 WeakPolarHBondContact O-CG1 3.4Å; M181-I185 PolarHBondContact O-N 3.07Å; M181-I185 VanDerWaalsContact O-N 3.1Å
182M95.8Very high93.4Very high8 Ų832.2 Ų32.24%0.03916%0.16CC..Hα-helixtrans-63.7-40.1177.3-70.5-170.5-6600111.7I147 P178 L179 I185 S186 F291 L294 T295 L298I147-M182 HydrophobicContact CD1-CB 3.82Å; P178-M182 WeakPolarHBondContact O-CG 3.27Å; P178-M182 PolarHBondContact O-N 3.24Å; P178-M182 VanDerWaalsContact O-N 3.12Å; L179-M182 HydrophobicContact CD2-CE 3.93Å; L179-M182 PolarHBondContact O-N 3.35Å; M182-I185 PolarHBondContact O-N 3.16Å; M182-S186 PolarHBondContact O-N 3.02Å; M182-S186 PolarHBondContact O-OG 3.01Å; M182-F291 HydrophobicContact CG-CD1 4.16Å; M182-F291 HydrophobicContact CG-CE1 4.16Å; M182-F291 HydrophobicContact SD-CD1 4.14Å; M182-F291 HydrophobicContact SD-CG 4.39Å; M182-L294 HydrophobicContact CE-CD2 4.21Å; M182-L294 HydrophobicContact CE-CG 4.14Å; M182-L294 HydrophobicContact SD-CB 4.18Å; M182-L294 HydrophobicContact SD-CD2 3.63Å; M182-L294 HydrophobicContact SD-CG 3.96Å; M182-T295 HydrophobicContact CE-CG2 3.6Å; M182-T295 HydrophobicContact SD-CG2 3.76Å; M182-L298 HydrophobicContact CE-CD1 3.42Å; M182-L298 VanDerWaalsContact CE-CD1 3.42Å
183W95.9Very high92.8Very high4 Ų432.8 Ų32.82%0.01516%0.161CC..Hα-helixtrans-57.8-47174172.7-95.3000111.9L144 I147 L148 L179 A180 M181 I185 S186 T187 L235 I239 F240L144-W183 HydrophobicContact CD1-CE3 3.9Å; L144-W183 HydrophobicContact CD1-CH2 3.39Å; L144-W183 HydrophobicContact CD1-CZ2 4.2Å; L144-W183 HydrophobicContact CD1-CZ3 3.21Å; L144-W183 HydrophobicContact CD2-CH2 4.47Å; L144-W183 HydrophobicContact CG-CE3 4.42Å; L144-W183 HydrophobicContact CG-CH2 3.85Å; L144-W183 HydrophobicContact CG-CZ3 3.49Å; L144-W183 VanDerWaalsContact CG-CZ3 3.49Å; I147-W183 HydrophobicContact CB-CE3 4.33Å; I147-W183 HydrophobicContact CG2-CB 3.99Å; I147-W183 HydrophobicContact CG2-CE3 3.9Å; L148-W183 HydrophobicContact CD1-CH2 3.8Å; L148-W183 HydrophobicContact CD1-CZ3 3.58Å; L148-W183 HydrophobicContact CD2-CE3 4.22Å; L148-W183 HydrophobicContact CD2-CH2 3.7Å; L148-W183 HydrophobicContact CD2-CZ3 3.5Å; L148-W183 VanDerWaalsContact CD2-CZ3 3.5Å; L148-W183 HydrophobicContact CG-CE3 4.18Å; L148-W183 HydrophobicContact CG-CH2 3.88Å; L148-W183 HydrophobicContact CG-CZ3 3.33Å; L179-W183 WeakPolarHBondContact O-CB 3.46Å; L179-W183 PolarHBondContact O-N 3.4Å; A180-W183 WeakPolarHBondContact O-CB 3.39Å; M181-W183 VanDerWaalsContact C-N 3.31Å; M181-W183 PolarHBondContact O-N 3.29Å; W183-I185 VanDerWaalsContact C-N 3.31Å; W183-I185 PolarHBondContact O-N 2.88Å; W183-S186 WeakPolarHBondContact CA-OG 3.48Å; W183-S186 PolarHBondContact O-N 3.49Å; W183-S186 PolarHBondContact O-OG 3.36Å; W183-T187 HydrophobicContact CD2-CG2 4.2Å; W183-T187 HydrophobicContact CH2-CG2 4.22Å; W183-T187 HydrophobicContact CZ2-CG2 3.46Å; W183-T187 VanDerWaalsContact CZ2-CG2 3.46Å; W183-T187 WeakPolarHBondContact O-CG2 3.48Å; W183-T187 PolarHBondContact O-N 2.81Å; W183-T187 PolarHBondContact O-OG1 3.29Å; W183-T187 VanDerWaalsContact O-OG1 3.11Å; W183-L235 HydrophobicContact CH2-CD2 3.48Å; W183-L235 VanDerWaalsContact CH2-CD2 3.48Å; W183-L235 HydrophobicContact CZ2-CD2 3.08Å; W183-I239 HydrophobicContact CH2-CD1 4.48Å; W183-I239 HydrophobicContact CZ2-CD1 4.32Å; W183-F240 HydrophobicContact CB-CE2 3.79Å; W183-F240 HydrophobicContact CB-CZ 4.01Å; W183-F240 AromaticContact CD1-CD2 3.85Å; W183-F240 AromaticContact CD1-CE2 3.35Å; W183-F240 AromaticContact CD2-CE2 3.96Å; W183-F240 HydrophobicContact CD2-CE2 3.96Å; W183-F240 HydrophobicContact CG-CD2 4.31Å; W183-F240 AromaticContact CG-CE2 3.38Å; W183-F240 HydrophobicContact CG-CE2 3.38Å; W183-F240 HydrophobicContact CG-CZ 4.05Å; W183-F240 AromaticContact NE1-CE2 3.89Å
184F95Very high92.1Very high26 Ų2630.6 Ų30.611%0.11415%0.151CC..Hα-helixtrans-63.9-39.2-180-174.9-93000111.4A180 M181 T187 L188 L264 L267 F268 I271A180-F184 VanDerWaalsContact O-CB 3.29Å; A180-F184 WeakPolarHBondContact O-CB 3.26Å; A180-F184 PolarHBondContact O-N 2.91Å; M181-F184 PolarHBondContact O-N 2.95Å; F184-T187 PolarHBondContact O-OG1 3.05Å; F184-L188 HydrophobicContact CD1-CD1 3.99Å; F184-L188 HydrophobicContact CE1-CD1 3.56Å; F184-L188 HydrophobicContact CE1-CG 4.24Å; F184-L188 HydrophobicContact CZ-CD1 4.29Å; F184-L188 PolarHBondContact O-N 3.48Å; F184-L188 VanDerWaalsContact O-N 3.17Å; F184-L264 HydrophobicContact CE2-CD2 4.32Å; F184-L267 HydrophobicContact CE1-CD2 3.47Å; F184-L267 VanDerWaalsContact CE1-CD2 3.47Å; F184-L267 HydrophobicContact CE2-CD2 4.04Å; F184-L267 HydrophobicContact CZ-CD2 3.14Å; F184-L267 HydrophobicContact CZ-CG 4.44Å; F184-F268 HydrophobicContact CD2-CE1 4.05Å; F184-F268 HydrophobicContact CE1-CD1 4.44Å; F184-F268 HydrophobicContact CE1-CE1 4.29Å; F184-F268 AromaticContact CE2-CD1 3.61Å; F184-F268 HydrophobicContact CE2-CD1 3.61Å; F184-F268 AromaticContact CE2-CE1 3.3Å; F184-F268 HydrophobicContact CE2-CE1 3.3Å; F184-F268 AromaticContact CZ-CD1 3.4Å; F184-F268 HydrophobicContact CZ-CD1 3.4Å; F184-F268 AromaticContact CZ-CE1 3.41Å; F184-F268 HydrophobicContact CZ-CE1 3.41Å; F184-F268 VanDerWaalsContact CZ-CE1 3.41Å; F184-I271 HydrophobicContact CE1-CD1 3.45Å; F184-I271 VanDerWaalsContact CE1-CD1 3.45Å; F184-I271 HydrophobicContact CZ-CD1 4.03Å
185I93.8Very high91.5Very high35 Ų3525.9 Ų25.918%0.17913%0.127CC..Hα-helixtrans-68.2-40.1173.8-61.3169.2000111.5M181 M182 W183 L188 A189 F196 L286 F291M181-I185 HydrophobicContact CE-CD1 4.01Å; M181-I185 HydrophobicContact CE-CG1 4.39Å; M181-I185 HydrophobicContact CG-CD1 4.45Å; M181-I185 WeakPolarHBondContact O-CG1 3.4Å; M181-I185 PolarHBondContact O-N 3.07Å; M181-I185 VanDerWaalsContact O-N 3.1Å; M182-I185 PolarHBondContact O-N 3.16Å; W183-I185 VanDerWaalsContact C-N 3.31Å; W183-I185 PolarHBondContact O-N 2.88Å; I185-L188 WeakPolarHBondContact O-CB 3.49Å; I185-L188 PolarHBondContact O-N 3.12Å; I185-A189 PolarHBondContact O-N 3.17Å; I185-F196 HydrophobicContact CG2-CE2 3.68Å; I185-F196 HydrophobicContact CG2-CZ 3.67Å; I185-L286 HydrophobicContact CG2-CD2 4.37Å; I185-F291 HydrophobicContact CB-CE2 3.94Å; I185-F291 HydrophobicContact CB-CZ 3.9Å; I185-F291 HydrophobicContact CD1-CZ 3.74Å; I185-F291 HydrophobicContact CG1-CZ 4.43Å; I185-F291 HydrophobicContact CG2-CE2 3.68Å; I185-F291 HydrophobicContact CG2-CZ 3.7Å
186S93.2Very high91.2Very high0 Ų023.7 Ų23.70%011%0.111CC..Hα-helixtrans-65.8-39178.461.80000112.1M182 W183 A189 E190M182-S186 PolarHBondContact O-N 3.02Å; M182-S186 PolarHBondContact O-OG 3.01Å; W183-S186 WeakPolarHBondContact CA-OG 3.48Å; W183-S186 PolarHBondContact O-N 3.49Å; W183-S186 PolarHBondContact O-OG 3.36Å; S186-A189 PolarHBondContact O-N 2.93Å; S186-A189 VanDerWaalsContact O-N 3.17Å; S186-E190 WeakPolarHBondContact O-CB 3.35Å; S186-E190 PolarHBondContact O-N 2.93Å
187T94.1Very high90.6Very high0 Ų024.2 Ų24.20%011%0.114CC..Hα-helixtrans-68.2-34.8176.354.90000113.3L144 W183 F184 A189 T191 M232 T236L144-T187 HydrophobicContact CD1-CG2 4.31Å; W183-T187 HydrophobicContact CD2-CG2 4.2Å; W183-T187 HydrophobicContact CH2-CG2 4.22Å; W183-T187 HydrophobicContact CZ2-CG2 3.46Å; W183-T187 VanDerWaalsContact CZ2-CG2 3.46Å; W183-T187 WeakPolarHBondContact O-CG2 3.48Å; W183-T187 PolarHBondContact O-N 2.81Å; W183-T187 PolarHBondContact O-OG1 3.29Å; W183-T187 VanDerWaalsContact O-OG1 3.11Å; F184-T187 PolarHBondContact O-OG1 3.05Å; T187-A189 PolarHBondContact O-N 2.77Å; T187-T191 PolarHBondContact O-N 2.69Å; T187-T191 PolarHBondContact O-OG1 2.94Å; T187-M232 HydrophobicContact CG2-CB 4.44Å; T187-T236 HydrophobicContact CG2-CG2 4.03Å
188L91.9Very high89.6Confident5 Ų516.2 Ų16.23%0.0268%0.084CC..Hα-helixtrans-58.9-38.6170.3-85164.8000111.6F184 I185 T191 R193 F196 F268 I271F184-L188 HydrophobicContact CD1-CD1 3.99Å; F184-L188 HydrophobicContact CE1-CD1 3.56Å; F184-L188 HydrophobicContact CE1-CG 4.24Å; F184-L188 HydrophobicContact CZ-CD1 4.29Å; F184-L188 PolarHBondContact O-N 3.48Å; F184-L188 VanDerWaalsContact O-N 3.17Å; I185-L188 WeakPolarHBondContact O-CB 3.49Å; I185-L188 PolarHBondContact O-N 3.12Å; L188-T191 PolarHBondContact O-OG1 3.11Å; L188-T191 VanDerWaalsContact O-OG1 3.13Å; L188-R193 PolarHBondContact O-N 3.31Å; L188-F196 HydrophobicContact CB-CD2 4.19Å; L188-F196 HydrophobicContact CB-CE2 4.36Å; L188-F268 HydrophobicContact CD2-CB 4.43Å; L188-F268 HydrophobicContact CD2-CD1 3.86Å; L188-F268 HydrophobicContact CD2-CD2 3.68Å; L188-F268 HydrophobicContact CD2-CE1 3.91Å; L188-F268 HydrophobicContact CD2-CE2 3.77Å; L188-F268 HydrophobicContact CD2-CG 3.71Å; L188-F268 HydrophobicContact CD2-CZ 3.87Å; L188-F268 HydrophobicContact CG-CD1 4.27Å; L188-F268 HydrophobicContact CG-CE1 3.87Å; L188-F268 HydrophobicContact CG-CE2 4.19Å; L188-F268 HydrophobicContact CG-CZ 3.82Å; L188-I271 HydrophobicContact CD1-CD1 3.81Å; L188-I271 HydrophobicContact CD1-CG2 4.2Å; L188-I271 HydrophobicContact CD2-CG2 4.48Å
189A90.4Very high88.3Confident0 Ų014.9 Ų14.90%08%0.076CC..Hα-helixtrans-84.8-29.5-17600000113.9Q136 Y140 I185 S186 T187 T191 N192 F196Q136-A189 PolarHBondContact NE2-O 3.4Å; Y140-A189 HydrophobicContact CD1-CB 3.74Å; Y140-A189 HydrophobicContact CD2-CB 3.66Å; Y140-A189 HydrophobicContact CE1-CB 3.26Å; Y140-A189 HydrophobicContact CE2-CB 3.16Å; Y140-A189 HydrophobicContact CG-CB 3.95Å; Y140-A189 VanDerWaalsContact OH-CB 3.28Å; Y140-A189 WeakPolarHBondContact OH-CB 3.22Å; I185-A189 PolarHBondContact O-N 3.17Å; S186-A189 PolarHBondContact O-N 2.93Å; S186-A189 VanDerWaalsContact O-N 3.17Å; T187-A189 PolarHBondContact O-N 2.77Å; A189-T191 VanDerWaalsContact C-N 3.3Å; A189-N192 PolarHBondContact O-N 3.42Å; A189-F196 HydrophobicContact CB-CB 3.82Å; A189-F196 HydrophobicContact CB-CD1 4.5Å; A189-F196 HydrophobicContact CB-CD2 3.57Å; A189-F196 HydrophobicContact CB-CE2 4.25Å; A189-F196 HydrophobicContact CB-CG 3.71Å
190E90.7Very high87Confident25 Ų2516.4 Ų16.412%0.1178%0.083CC..Hα-helixtrans-64.4-36.6170.4-173.6174.8-178.300111.5S107 S186 N192 M232S107-E190 WeakPolarHBondContact CB-OE1 3.41Å; S107-E190 PolarHBondContact OG-OE1 3.4Å; S186-E190 WeakPolarHBondContact O-CB 3.35Å; S186-E190 PolarHBondContact O-N 2.93Å; E190-N192 PolarHBondContact O-N 3.22Å; E190-M232 HydrophobicContact CG-CE 4.02Å; E190-M232 WeakPolarHBondContact OE1-CE 3.23Å; E190-M232 VanDerWaalsContact OE2-CE 3.28Å; E190-M232 WeakPolarHBondContact OE2-CE 3.34Å
191T89Confident85.7Confident6 Ų616 Ų164%0.0378%0.079CC..THydrogen-bonded Turntrans-79.78.1175.553.60000113.8T187 L188 A189 R193 N228 I229 M232T187-T191 PolarHBondContact O-N 2.69Å; T187-T191 PolarHBondContact O-OG1 2.94Å; L188-T191 PolarHBondContact O-OG1 3.11Å; L188-T191 VanDerWaalsContact O-OG1 3.13Å; A189-T191 VanDerWaalsContact C-N 3.3Å; T191-R193 PolarHBondContact O-N 2.99Å; T191-R193 VanDerWaalsContact O-N 3.1Å; T191-N228 HydrophobicContact CG2-CB 4.44Å; T191-I229 HydrophobicContact CG2-CG1 4.19Å; T191-M232 HydrophobicContact CG2-CB 4.27Å; T191-M232 HydrophobicContact CG2-CG 3.82Å
192N85.8Confident84.1Confident17 Ų1717.1 Ų17.19%0.0918%0.083CC..THydrogen-bonded Turntrans50.830.9-179.1-62.7-44.2000114Q136 A189 E190 D197 A199Q136-N192 PolarHBondContact NE2-OD1 3.15Å; A189-N192 PolarHBondContact O-N 3.42Å; E190-N192 PolarHBondContact O-N 3.22Å; N192-D197 VanDerWaalsContact O-CA 3.27Å; N192-D197 WeakPolarHBondContact O-CA 3.06Å; N192-D197 VanDerWaalsContact O-CB 3.29Å; N192-D197 WeakPolarHBondContact O-CB 3.14Å; N192-A199 HydrophobicContact CB-CB 4.4Å
193R82.8Confident82.1Confident20 Ų2021.5 Ų21.58%0.07512%0.115CC..  trans-91.2148.7-179.3-71.9-51.3-138.2-166.28.5112.2E22 L188 T191 F196 D197 E225 Y226 I229E22-R193 IonicContact OE1-NH2 3.16Å; E22-R193 IonicContact OE2-CZ 3.24Å; E22-R193 IonicContact OE2-NH2 3.96Å; E22-R193 PolarHBondContact OE2-NH2 2.83Å; L188-R193 PolarHBondContact O-N 3.31Å; T191-R193 PolarHBondContact O-N 2.99Å; T191-R193 VanDerWaalsContact O-N 3.1Å; R193-F196 CarbonylContact O-C 3.47Å; R193-F196 WeakPolarHBondContact O-CA 3.44Å; R193-F196 PolarHBondContact O-N 3.02Å; R193-D197 PolarHBondContact O-N 3.43Å; R193-E225 WeakPolarHBondContact CD-OE1 3.39Å; R193-E225 IonicContact CZ-OE1 3.2Å; R193-E225 IonicContact NE-OE1 3.64Å; R193-E225 IonicContact NH1-OE1 2.84Å; R193-E225 PolarHBondContact NH1-OE1 2.73Å; R193-E225 IonicContact NH1-OE2 2.68Å; R193-Y226 PolarHBondContact NH2-OH 3.37Å; R193-Y226 VanDerWaalsContact NH2-OH 3.11Å; R193-I229 HydrophobicContact CG-CD1 3.92Å; R193-I229 HydrophobicContact CG-CG1 4.25Å
194T79.7Confident80Confident14 Ų1425.9 Ų25.99%0.08614%0.136CC..THydrogen-bonded Turntrans-52.2128.6172.548.80000110D197 R272 R277T194-D197 HydrophobicContact CG2-CB 3.68Å; T194-R272 WeakPolarHBondContact OG1-CA 3.45Å; T194-R272 WeakPolarHBondContact OG1-CB 3.41Å; T194-R272 VanDerWaalsContact OG1-CD 3.3Å; T194-R272 WeakPolarHBondContact OG1-CD 3.24Å; T194-R272 WeakPolarHBondContact OG1-CG 3.4Å; T194-R277 HydrophobicContact CG2-CG 4.3Å
195P80.7Confident78.6Confident7 Ų725 Ų255%0.04513%0.132CC..THydrogen-bonded Turncis-88.30.320.336.6-39.7000116P276 R277 F278P195-P276 WeakPolarHBondContact CB-O 3.45Å; P195-R277 WeakPolarHBondContact O-CA 3.49Å; P195-F278 HydrophobicContact CB-CD2 3.67Å; P195-F278 HydrophobicContact CB-CE2 3.91Å; P195-F278 HydrophobicContact CG-CD2 3.88Å; P195-F278 HydrophobicContact CG-CE2 3.79Å; P195-F278 PolarHBondContact O-N 3.43Å
196F86.6Confident77.5Confident7 Ų728.7 Ų28.73%0.03116%0.156CC..SBendtrans-101.724.2-178-51.5-65.1000113.9Q136 I185 L188 A189 R193 L198 F278 L283 L286Q136-F196 PolarHBondContact NE2-O 2.64Å; Q136-F196 PolarHBondContact OE1-O 3.25Å; I185-F196 HydrophobicContact CG2-CE2 3.68Å; I185-F196 HydrophobicContact CG2-CZ 3.67Å; L188-F196 HydrophobicContact CB-CD2 4.19Å; L188-F196 HydrophobicContact CB-CE2 4.36Å; A189-F196 HydrophobicContact CB-CB 3.82Å; A189-F196 HydrophobicContact CB-CD1 4.5Å; A189-F196 HydrophobicContact CB-CD2 3.57Å; A189-F196 HydrophobicContact CB-CE2 4.25Å; A189-F196 HydrophobicContact CB-CG 3.71Å; R193-F196 CarbonylContact O-C 3.47Å; R193-F196 WeakPolarHBondContact O-CA 3.44Å; R193-F196 PolarHBondContact O-N 3.02Å; F196-L198 VanDerWaalsContact C-N 3.3Å; F196-L198 PolarHBondContact O-N 3.11Å; F196-F278 HydrophobicContact CD1-CB 4.45Å; F196-F278 AromaticContact CD1-CD2 3.79Å; F196-F278 HydrophobicContact CD1-CD2 3.79Å; F196-F278 HydrophobicContact CD1-CG 4.38Å; F196-F278 AromaticContact CE1-CD2 3.39Å; F196-F278 HydrophobicContact CE1-CD2 3.39Å; F196-F278 AromaticContact CE1-CE2 3.73Å; F196-F278 HydrophobicContact CE1-CE2 3.73Å; F196-F278 HydrophobicContact CE1-CG 4.1Å; F196-F278 HydrophobicContact CZ-CD2 4.11Å; F196-F278 HydrophobicContact CZ-CE2 4.03Å; F196-L283 HydrophobicContact CB-CD1 3.97Å; F196-L283 HydrophobicContact CD1-CD1 3.64Å; F196-L283 HydrophobicContact CD1-CG 4.05Å; F196-L283 HydrophobicContact CG-CD1 4.2Å; F196-L286 HydrophobicContact CE1-CD2 4Å; F196-L286 HydrophobicContact CZ-CD2 4.02Å
197D82.2Confident76.4Confident12 Ų1229.9 Ų29.96%0.06416%0.164CC..  trans-80.176.5175.2173.923.7000110.7N192 R193 T194 E200 R277N192-D197 VanDerWaalsContact O-CA 3.27Å; N192-D197 WeakPolarHBondContact O-CA 3.06Å; N192-D197 VanDerWaalsContact O-CB 3.29Å; N192-D197 WeakPolarHBondContact O-CB 3.14Å; R193-D197 PolarHBondContact O-N 3.43Å; T194-D197 HydrophobicContact CG2-CB 3.68Å; D197-E200 VanDerWaalsContact OD1-CB 3.23Å; D197-E200 WeakPolarHBondContact OD1-CB 3.41Å; D197-E200 PolarHBondContact OD1-N 3.18Å; D197-R277 IonicContact OD2-CZ 2.81Å; D197-R277 IonicContact OD2-NE 3.52Å; D197-R277 IonicContact OD2-NH2 3.93Å; D197-R277 PolarHBondContact OD2-NH2 2.73Å
198L73.6Confident75.9Confident4 Ų429.9 Ų29.92%0.02116%0.164CC..  trans-96.7-22.1177.3-59.2-178.1000112.7F196 F278 Y280 L283F196-L198 VanDerWaalsContact C-N 3.3Å; F196-L198 PolarHBondContact O-N 3.11Å; L198-F278 WeakPolarHBondContact CD2-O 3.33Å; L198-Y280 HydrophobicContact CD1-CD2 3.78Å; L198-Y280 HydrophobicContact CD1-CG 4.32Å; L198-L283 HydrophobicContact CD1-CB 4.25Å; L198-L283 HydrophobicContact CD1-CD1 3.5Å; L198-L283 HydrophobicContact CD1-CG 4.41Å; L198-L283 HydrophobicContact CG-CD1 4.23Å
199A66.6Low75.3Confident1 Ų130.5 Ų30.51%0.00817%0.167CC..SBendtrans-74.1-34.4-178.100000111.8A133 N192 G208 F209A133-A199 HydrophobicContact CB-CB 3.55Å; N192-A199 HydrophobicContact CB-CB 4.4Å; A199-G208 VanDerWaalsContact O-CA 3.3Å; A199-G208 WeakPolarHBondContact O-CA 3.14Å; A199-F209 HydrophobicContact CB-CD1 4.1Å; A199-F209 HydrophobicContact CB-CE1 4.06Å
200E69.6Low75Confident31 Ų3130.7 Ų30.715%0.14517%0.168CC..SBendtrans-106.6-2.3-179.2-159.5173.8-162.500112.7D197 E202 N210 F222D197-E200 VanDerWaalsContact OD1-CB 3.23Å; D197-E200 WeakPolarHBondContact OD1-CB 3.41Å; D197-E200 PolarHBondContact OD1-N 3.18Å; E200-E202 PolarHBondContact O-N 3.21Å; E200-N210 PolarHBondContact OE1-ND2 2.87Å; E200-F222 WeakPolarHBondContact OE1-CZ 3.5Å
201G67.6Low74.6Confident3 Ų332 Ų323%0.03118%0.175CC..  trans-37.994.2-168.900000115S203 E204 L205G201-S203 PolarHBondContact O-N 2.87Å; G201-S203 VanDerWaalsContact O-N 3.09Å; G201-E204 PolarHBondContact O-N 3.38Å; G201-L205 PolarHBondContact O-N 3.17Å
202E60.6Low74.5Confident134 Ų13435 Ų3563%0.62619%0.189SC*.Hα-helixtrans-56.1-34.8-171.2-62.2178.4168.300113.1E200 E204 V206E200-E202 PolarHBondContact O-N 3.21Å; E202-E204 VanDerWaalsContact C-N 3.33Å; E202-E204 PolarHBondContact O-N 3.4Å; E202-V206 WeakPolarHBondContact CA-O 3.34Å; E202-V206 WeakPolarHBondContact O-CA 3.35Å; E202-V206 PolarHBondContact O-N 2.89Å
203S53.5Low74.5Confident100 Ų10034.6 Ų34.670%0.69919%0.186SC*.Hα-helixtrans-72-24.3-179.9520000113.9G201G201-S203 PolarHBondContact O-N 2.87Å; G201-S203 VanDerWaalsContact O-N 3.09Å
204E53.3Low74.6Confident97 Ų9734.3 Ų34.345%0.45319%0.188SC..Hα-helixtrans-109.1-37-174.2-63.8-179.3-178.700112R132 G201 E202R132-E204 IonicContact CZ-OE2 3.42Å; R132-E204 VanDerWaalsContact CZ-OE2 3.24Å; R132-E204 IonicContact NH1-OE2 2.61Å; R132-E204 PolarHBondContact NH1-OE2 2.89Å; R132-E204 IonicContact NH2-OE2 3.81Å; R132-E204 PolarHBondContact NH2-OE2 2.92Å; G201-E204 PolarHBondContact O-N 3.38Å; E202-E204 VanDerWaalsContact C-N 3.33Å; E202-E204 PolarHBondContact O-N 3.4Å
205L64.2Low75Confident7 Ų733.9 Ų33.94%0.03719%0.185CC..Hα-helixtrans-129.29.3-168.6-60.6175.2000113.5Y125 I128 G201 S207 G208 I211Y125-L205 HydrophobicContact CD1-CD2 4.11Å; I128-L205 HydrophobicContact CG2-CD2 4.15Å; G201-L205 PolarHBondContact O-N 3.17Å; L205-S207 PolarHBondContact O-N 2.9Å; L205-G208 PolarHBondContact O-N 3.32Å; L205-I211 WeakPolarHBondContact O-CD1 3.4Å
206V71.8Confident75.4Confident112 Ų11234.2 Ų34.268%0.67919%0.19SC*.THydrogen-bonded Turntrans64.2-57-174.9-174.20000113.1E202E202-V206 WeakPolarHBondContact CA-O 3.34Å; E202-V206 WeakPolarHBondContact O-CA 3.35Å; E202-V206 PolarHBondContact O-N 2.89Å
207S70.9Confident75.5Confident25 Ų2535.4 Ų35.418%0.17520%0.199CC..THydrogen-bonded Turntrans-153.89.3166.277.70000113.8L205 F209 N210 I211L205-S207 PolarHBondContact O-N 2.9Å; S207-F209 PolarHBondContact O-N 2.85Å; S207-N210 VanDerWaalsContact CB-OD1 3.22Å; S207-N210 WeakPolarHBondContact CB-OD1 3.43Å; S207-N210 PolarHBondContact O-OD1 3.35Å; S207-N210 PolarHBondContact OG-OD1 3.42Å; S207-I211 WeakPolarHBondContact OG-CA 3.35Å; S207-I211 WeakPolarHBondContact OG-CG1 3.49Å; S207-I211 PolarHBondContact OG-N 3.49Å
208G83.4Confident75.9Confident0 Ų037.5 Ų37.50%021%0.207CC..G310 helixtrans68.9-125.3171.900000115.9A126 A199 L205 N210 I211A126-G208 VanDerWaalsContact CA-O 3.25Å; A126-G208 WeakPolarHBondContact CA-O 3.28Å; A126-G208 WeakPolarHBondContact CB-O 3.36Å; A199-G208 VanDerWaalsContact O-CA 3.3Å; A199-G208 WeakPolarHBondContact O-CA 3.14Å; L205-G208 PolarHBondContact O-N 3.32Å; G208-N210 PolarHBondContact O-N 2.68Å; G208-I211 WeakPolarHBondContact O-CD1 3.37Å; G208-I211 WeakPolarHBondContact O-CG1 3.48Å
209F78.7Confident76.7Confident18 Ų1837.6 Ų37.68%0.07921%0.209CC..G310 helixtrans-70.5-18.1-171.268.9-93000114.1I114 S117 A130 A199 S207 F221I114-F209 HydrophobicContact CG1-CZ 4.5Å; I114-F209 HydrophobicContact CG2-CB 4.11Å; I114-F209 HydrophobicContact CG2-CD1 3.76Å; I114-F209 HydrophobicContact CG2-CD2 4.11Å; I114-F209 HydrophobicContact CG2-CE1 4.17Å; I114-F209 HydrophobicContact CG2-CE2 4.47Å; I114-F209 HydrophobicContact CG2-CG 3.72Å; I114-F209 HydrophobicContact CG2-CZ 4.5Å; S117-F209 VanDerWaalsContact OG-CD2 3.26Å; S117-F209 WeakPolarHBondContact OG-CD2 3.02Å; A130-F209 HydrophobicContact CB-CB 4.13Å; A199-F209 HydrophobicContact CB-CD1 4.1Å; A199-F209 HydrophobicContact CB-CE1 4.06Å; S207-F209 PolarHBondContact O-N 2.85Å; F209-F221 HydrophobicContact CE2-CD1 4.05Å; F209-F221 HydrophobicContact CE2-CE1 4.28Å; F209-F221 HydrophobicContact CE2-CG 4.26Å
210N84Confident78Confident4 Ų439.4 Ų39.42%0.02122%0.218CC..G310 helixtrans-102.37.7-175.470.512.2000113.8E200 S207 G208 E212 Y213E200-N210 PolarHBondContact OE1-ND2 2.87Å; S207-N210 VanDerWaalsContact CB-OD1 3.22Å; S207-N210 WeakPolarHBondContact CB-OD1 3.43Å; S207-N210 PolarHBondContact O-OD1 3.35Å; S207-N210 PolarHBondContact OG-OD1 3.42Å; G208-N210 PolarHBondContact O-N 2.68Å; N210-E212 VanDerWaalsContact C-N 3.27Å; N210-E212 PolarHBondContact O-N 3.39Å; N210-Y213 WeakPolarHBondContact O-CB 3.47Å; N210-Y213 PolarHBondContact O-N 3.02Å
211I82.7Confident79Confident53 Ų5338.5 Ų38.527%0.27221%0.214SC..THydrogen-bonded Turntrans-51.2-44-174-65.6158.7000113L205 S207 G208 Y213L205-I211 WeakPolarHBondContact O-CD1 3.4Å; S207-I211 WeakPolarHBondContact OG-CA 3.35Å; S207-I211 WeakPolarHBondContact OG-CG1 3.49Å; S207-I211 PolarHBondContact OG-N 3.49Å; G208-I211 WeakPolarHBondContact O-CD1 3.37Å; G208-I211 WeakPolarHBondContact O-CG1 3.48Å; I211-Y213 VanDerWaalsContact C-N 3.31Å
212E85.6Confident80.1Confident69 Ų6940.2 Ų40.232%0.32222%0.22SC..THydrogen-bonded Turntrans-86.2-2.3-176.3-65.2-64.8163.900113.1P61 Y69 N210P61-E212 HydrophobicContact CG-CB 4.17Å; Y69-E212 HydrophobicContact CE2-CB 4.45Å; Y69-E212 PolarHBondContact OH-O 3.33Å; N210-E212 VanDerWaalsContact C-N 3.27Å; N210-E212 PolarHBondContact O-N 3.39Å
213Y86.4Confident81.6Confident9 Ų935.4 Ų35.44%0.03520%0.198CC..  trans-88.8120.2179.9-71.2-92.9000110.7Y69 P73 S117 N210 I211 P217 F221Y69-Y213 WeakPolarHBondContact CA-OH 3.2Å; Y69-Y213 HydrophobicContact CD1-CE1 4.01Å; Y69-Y213 HydrophobicContact CD2-CD1 4.36Å; Y69-Y213 AromaticContact CD2-CE1 3.62Å; Y69-Y213 HydrophobicContact CD2-CE1 3.62Å; Y69-Y213 HydrophobicContact CD2-CE2 4.04Å; Y69-Y213 AromaticContact CD2-CZ 3.43Å; Y69-Y213 VanDerWaalsContact CD2-CZ 3.43Å; Y69-Y213 WeakPolarHBondContact CD2-OH 3.34Å; Y69-Y213 HydrophobicContact CE1-CD1 4.01Å; Y69-Y213 AromaticContact CE1-CE1 3.86Å; Y69-Y213 HydrophobicContact CE1-CE1 3.86Å; Y69-Y213 AromaticContact CE2-CD1 3.74Å; Y69-Y213 HydrophobicContact CE2-CD1 3.74Å; Y69-Y213 HydrophobicContact CE2-CD2 4.04Å; Y69-Y213 AromaticContact CE2-CE1 3.46Å; Y69-Y213 HydrophobicContact CE2-CE1 3.46Å; Y69-Y213 VanDerWaalsContact CE2-CE1 3.46Å; Y69-Y213 AromaticContact CE2-CE2 3.79Å; Y69-Y213 HydrophobicContact CE2-CE2 3.79Å; Y69-Y213 HydrophobicContact CE2-CG 4.03Å; Y69-Y213 AromaticContact CE2-CZ 3.49Å; Y69-Y213 VanDerWaalsContact CE2-CZ 3.49Å; Y69-Y213 AromaticContact CG-CE1 3.9Å; Y69-Y213 HydrophobicContact CG-CE1 3.9Å; Y69-Y213 AromaticContact CZ-CD1 3.54Å; Y69-Y213 AromaticContact CZ-CE1 3.59Å; Y69-Y213 WeakPolarHBondContact O-CE1 3.19Å; Y69-Y213 WeakPolarHBondContact OH-CA 3.46Å; P73-Y213 HydrophobicContact CG-CD1 4.09Å; P73-Y213 HydrophobicContact CG-CE1 3.66Å; S117-Y213 VanDerWaalsContact CA-OH 3.31Å; S117-Y213 WeakPolarHBondContact CA-OH 3.35Å; N210-Y213 WeakPolarHBondContact O-CB 3.47Å; N210-Y213 PolarHBondContact O-N 3.02Å; I211-Y213 VanDerWaalsContact C-N 3.31Å; Y213-P217 HydrophobicContact CD1-CB 3.7Å; Y213-P217 HydrophobicContact CE1-CB 4.4Å; Y213-F221 HydrophobicContact CD1-CD2 4.49Å; Y213-F221 AromaticContact CD1-CE2 3.97Å; Y213-F221 HydrophobicContact CD1-CE2 3.97Å; Y213-F221 HydrophobicContact CD2-CE2 4.26Å; Y213-F221 AromaticContact CE1-CE2 3.9Å; Y213-F221 HydrophobicContact CE1-CE2 3.9Å; Y213-F221 HydrophobicContact CE2-CE2 4.2Å; Y213-F221 HydrophobicContact CG-CD2 4.47Å; Y213-F221 HydrophobicContact CG-CE2 4.14Å
214A85.3Confident83.5Confident14 Ų1430.9 Ų30.912%0.11617%0.167CC..  trans-109.9157.3175.700000111.9L59 G216 P217L59-A214 HydrophobicContact CB-CB 3.73Å; L59-A214 HydrophobicContact CD1-CB 3.93Å; L59-A214 HydrophobicContact CG-CB 3.95Å; A214-G216 PolarHBondContact O-N 3.21Å; A214-P217 VanDerWaalsContact O-CD 3.3Å; A214-P217 WeakPolarHBondContact O-CD 3.41Å
215A87.4Confident85.3Confident4 Ų427.7 Ų27.73%0.03315%0.152CC..Hα-helixtrans55.3-118.4162.800000113.9L53 K56 A219L53-A215 CarbonylContact O-C 3.22Å; L53-A215 WeakPolarHBondContact O-CA 3.38Å; L53-A215 WeakPolarHBondContact O-CB 3.46Å; K56-A215 HydrophobicContact CB-CB 3.82Å; K56-A215 HydrophobicContact CD-CB 4.46Å; K56-A215 HydrophobicContact CG-CB 4.17Å; K56-A215 WeakPolarHBondContact O-CB 3.39Å; A215-A219 PolarHBondContact O-N 3.29Å
216G89.1Confident86.7Confident14 Ų1428.1 Ų28.114%0.14415%0.153CC..Hα-helixtrans-63.1-55.2-175.800000114.6L53 A214 F218 A219 L220L53-G216 PolarHBondContact O-N 3.4Å; A214-G216 PolarHBondContact O-N 3.21Å; G216-F218 VanDerWaalsContact C-N 3.25Å; G216-F218 PolarHBondContact O-N 2.88Å; G216-A219 WeakPolarHBondContact O-CA 3.41Å; G216-A219 VanDerWaalsContact O-CB 3.28Å; G216-A219 WeakPolarHBondContact O-CB 3.01Å; G216-A219 PolarHBondContact O-N 3.23Å; G216-L220 PolarHBondContact O-N 3.46Å; G216-L220 VanDerWaalsContact O-N 3.08Å
217P90Very high87.8Confident33 Ų3322.8 Ų22.821%0.21412%0.121CC..Hα-helixtrans-53.7-39.1175.5-32.237.1000114.2P73 Y213 A214 L220P73-P217 WeakPolarHBondContact CB-O 3.21Å; P73-P217 HydrophobicContact CG-CB 4.1Å; Y213-P217 HydrophobicContact CD1-CB 3.7Å; Y213-P217 HydrophobicContact CE1-CB 4.4Å; A214-P217 VanDerWaalsContact O-CD 3.3Å; A214-P217 WeakPolarHBondContact O-CD 3.41Å; P217-L220 PolarHBondContact O-N 3.06Å
218F89.4Confident88.9Confident56 Ų5623 Ų2325%0.24612%0.12CC..Hα-helixtrans-62-47.2172174.8-93.5000111.4L53 G216 L220 F221 F222L53-F218 HydrophobicContact CD2-CD1 4.25Å; G216-F218 VanDerWaalsContact C-N 3.25Å; G216-F218 PolarHBondContact O-N 2.88Å; F218-L220 PolarHBondContact O-N 3.43Å; F218-F221 PolarHBondContact O-N 3.43Å; F218-F221 VanDerWaalsContact O-N 3.08Å; F218-F222 AromaticContact CD1-CD2 3.64Å; F218-F222 HydrophobicContact CD1-CD2 3.64Å; F218-F222 AromaticContact CD1-CE2 3.86Å; F218-F222 HydrophobicContact CD1-CE2 3.86Å; F218-F222 HydrophobicContact CD2-CD2 4.09Å; F218-F222 AromaticContact CD2-CE2 3.66Å; F218-F222 HydrophobicContact CD2-CE2 3.66Å; F218-F222 AromaticContact CE1-CD2 3.36Å; F218-F222 HydrophobicContact CE1-CD2 3.36Å; F218-F222 AromaticContact CE1-CE2 3.28Å; F218-F222 HydrophobicContact CE1-CE2 3.28Å; F218-F222 HydrophobicContact CE1-CG 4.25Å; F218-F222 AromaticContact CE1-CZ 3.98Å; F218-F222 HydrophobicContact CE1-CZ 3.98Å; F218-F222 AromaticContact CE2-CD2 3.88Å; F218-F222 HydrophobicContact CE2-CD2 3.88Å; F218-F222 AromaticContact CE2-CE2 3.08Å; F218-F222 HydrophobicContact CE2-CE2 3.08Å; F218-F222 AromaticContact CE2-CZ 3.82Å; F218-F222 HydrophobicContact CE2-CZ 3.82Å; F218-F222 HydrophobicContact CG-CD2 4.01Å; F218-F222 HydrophobicContact CG-CE2 4.04Å; F218-F222 AromaticContact CZ-CD2 3.52Å; F218-F222 HydrophobicContact CZ-CD2 3.52Å; F218-F222 HydrophobicContact CZ-CE1 4.42Å; F218-F222 AromaticContact CZ-CE2 2.86Å; F218-F222 HydrophobicContact CZ-CE2 2.86Å; F218-F222 AromaticContact CZ-CZ 3.37Å; F218-F222 HydrophobicContact CZ-CZ 3.37Å; F218-F222 WeakPolarHBondContact O-CD2 3.37Å; F218-F222 PolarHBondContact O-N 3.17Å
219A91.3Very high89.5Confident6 Ų623.3 Ų23.35%0.0512%0.121CC..Hα-helixtrans-55.5-37177.800000112.3L53 A215 G216 F221 F222 M223L53-A219 HydrophobicContact CB-CB 4.18Å; L53-A219 HydrophobicContact CD1-CB 3.89Å; A215-A219 PolarHBondContact O-N 3.29Å; G216-A219 WeakPolarHBondContact O-CA 3.41Å; G216-A219 VanDerWaalsContact O-CB 3.28Å; G216-A219 WeakPolarHBondContact O-CB 3.01Å; G216-A219 PolarHBondContact O-N 3.23Å; A219-F221 PolarHBondContact O-N 3.3Å; A219-F222 PolarHBondContact O-N 2.91Å; A219-M223 HydrophobicContact CB-CE 4.23Å; A219-M223 WeakPolarHBondContact O-CB 3.28Å; A219-M223 WeakPolarHBondContact O-CE 3.48Å; A219-M223 WeakPolarHBondContact O-CG 3.33Å; A219-M223 PolarHBondContact O-N 3.35Å
220L92.7Very high90.3Very high39 Ų3923.2 Ų23.220%0.20412%0.122CC..Hα-helixtrans-62.2-40.8177.4-68.4168.9000112.9P73 T74 L77 G216 P217 F218 M223 A224P73-L220 HydrophobicContact CB-CB 3.71Å; P73-L220 HydrophobicContact CB-CD1 3.93Å; P73-L220 HydrophobicContact CB-CG 4.48Å; T74-L220 HydrophobicContact CG2-CD1 4.2Å; L77-L220 HydrophobicContact CB-CD2 4.48Å; L77-L220 HydrophobicContact CD2-CD2 3.79Å; G216-L220 PolarHBondContact O-N 3.46Å; G216-L220 VanDerWaalsContact O-N 3.08Å; P217-L220 PolarHBondContact O-N 3.06Å; F218-L220 PolarHBondContact O-N 3.43Å; L220-M223 HydrophobicContact CD2-CE 3.74Å; L220-M223 HydrophobicContact CG-CE 4.28Å; L220-A224 WeakPolarHBondContact O-CB 3.38Å; L220-A224 PolarHBondContact O-N 3.17Å
221F91.4Very high90.8Very high12 Ų1223 Ų235%0.05312%0.121CC..Hα-helixtrans-65.1-44.8174.2-77.8-62.2000112.2A72 P73 A76 F209 Y213 F218 A219 M223 A224 E225A72-F221 HydrophobicContact CB-CZ 4.15Å; P73-F221 HydrophobicContact CB-CD2 4.05Å; P73-F221 HydrophobicContact CB-CE2 3.75Å; P73-F221 HydrophobicContact CB-CZ 3.97Å; P73-F221 HydrophobicContact CG-CD2 4.22Å; P73-F221 HydrophobicContact CG-CE2 3.54Å; P73-F221 HydrophobicContact CG-CZ 3.88Å; A76-F221 HydrophobicContact CB-CD1 3.84Å; A76-F221 HydrophobicContact CB-CE1 3.8Å; F209-F221 HydrophobicContact CE2-CD1 4.05Å; F209-F221 HydrophobicContact CE2-CE1 4.28Å; F209-F221 HydrophobicContact CE2-CG 4.26Å; Y213-F221 HydrophobicContact CD1-CD2 4.49Å; Y213-F221 AromaticContact CD1-CE2 3.97Å; Y213-F221 HydrophobicContact CD1-CE2 3.97Å; Y213-F221 HydrophobicContact CD2-CE2 4.26Å; Y213-F221 AromaticContact CE1-CE2 3.9Å; Y213-F221 HydrophobicContact CE1-CE2 3.9Å; Y213-F221 HydrophobicContact CE2-CE2 4.2Å; Y213-F221 HydrophobicContact CG-CD2 4.47Å; Y213-F221 HydrophobicContact CG-CE2 4.14Å; F218-F221 PolarHBondContact O-N 3.43Å; F218-F221 VanDerWaalsContact O-N 3.08Å; A219-F221 PolarHBondContact O-N 3.3Å; F221-M223 PolarHBondContact O-N 3.22Å; F221-A224 PolarHBondContact O-N 3.19Å; F221-E225 PolarHBondContact O-N 3.11Å
222F89.8Confident91.4Very high38 Ų3820.9 Ų20.917%0.16711%0.11CC..Hα-helixtrans-61.7-45.5177.1-85.2-86.8000111.6E200 F218 A219 A224 E225 Y226E200-F222 WeakPolarHBondContact OE1-CZ 3.5Å; F218-F222 AromaticContact CD1-CD2 3.64Å; F218-F222 HydrophobicContact CD1-CD2 3.64Å; F218-F222 AromaticContact CD1-CE2 3.86Å; F218-F222 HydrophobicContact CD1-CE2 3.86Å; F218-F222 HydrophobicContact CD2-CD2 4.09Å; F218-F222 AromaticContact CD2-CE2 3.66Å; F218-F222 HydrophobicContact CD2-CE2 3.66Å; F218-F222 AromaticContact CE1-CD2 3.36Å; F218-F222 HydrophobicContact CE1-CD2 3.36Å; F218-F222 AromaticContact CE1-CE2 3.28Å; F218-F222 HydrophobicContact CE1-CE2 3.28Å; F218-F222 HydrophobicContact CE1-CG 4.25Å; F218-F222 AromaticContact CE1-CZ 3.98Å; F218-F222 HydrophobicContact CE1-CZ 3.98Å; F218-F222 AromaticContact CE2-CD2 3.88Å; F218-F222 HydrophobicContact CE2-CD2 3.88Å; F218-F222 AromaticContact CE2-CE2 3.08Å; F218-F222 HydrophobicContact CE2-CE2 3.08Å; F218-F222 AromaticContact CE2-CZ 3.82Å; F218-F222 HydrophobicContact CE2-CZ 3.82Å; F218-F222 HydrophobicContact CG-CD2 4.01Å; F218-F222 HydrophobicContact CG-CE2 4.04Å; F218-F222 AromaticContact CZ-CD2 3.52Å; F218-F222 HydrophobicContact CZ-CD2 3.52Å; F218-F222 HydrophobicContact CZ-CE1 4.42Å; F218-F222 AromaticContact CZ-CE2 2.86Å; F218-F222 HydrophobicContact CZ-CE2 2.86Å; F218-F222 AromaticContact CZ-CZ 3.37Å; F218-F222 HydrophobicContact CZ-CZ 3.37Å; F218-F222 WeakPolarHBondContact O-CD2 3.37Å; F218-F222 PolarHBondContact O-N 3.17Å; A219-F222 PolarHBondContact O-N 2.91Å; F222-A224 VanDerWaalsContact C-N 3.31Å; F222-A224 PolarHBondContact O-N 3.49Å; F222-E225 PolarHBondContact O-N 2.83Å; F222-Y226 AromaticContact CD1-CE2 3.94Å; F222-Y226 HydrophobicContact CD1-CE2 3.94Å; F222-Y226 WeakPolarHBondContact O-CB 3.31Å; F222-Y226 WeakPolarHBondContact O-CD2 3.28Å; F222-Y226 PolarHBondContact O-N 3.44Å
223M92.3Very high91.9Very high34 Ų3417.6 Ų17.617%0.1679%0.094CC..Hα-helixtrans-58.1-46.1175.9-71.4-170.2-75.400110.6M15 F54 L77 A219 L220 F221 T227M15-M223 HydrophobicContact CE-CB 3.74Å; M15-M223 HydrophobicContact CE-CG 3.33Å; M15-M223 HydrophobicContact CE-SD 3.71Å; M15-M223 HydrophobicContact SD-CB 4.3Å; M15-M223 HydrophobicContact SD-CG 3.85Å; F54-M223 HydrophobicContact CZ-CE 4.07Å; L77-M223 HydrophobicContact CD1-CB 3.77Å; A219-M223 HydrophobicContact CB-CE 4.23Å; A219-M223 WeakPolarHBondContact O-CB 3.28Å; A219-M223 WeakPolarHBondContact O-CE 3.48Å; A219-M223 WeakPolarHBondContact O-CG 3.33Å; A219-M223 PolarHBondContact O-N 3.35Å; L220-M223 HydrophobicContact CD2-CE 3.74Å; L220-M223 HydrophobicContact CG-CE 4.28Å; F221-M223 PolarHBondContact O-N 3.22Å; M223-T227 WeakPolarHBondContact O-CB 3.44Å; M223-T227 VanDerWaalsContact O-CG2 3.29Å; M223-T227 WeakPolarHBondContact O-CG2 3.49Å; M223-T227 PolarHBondContact O-N 3.31Å; M223-T227 PolarHBondContact O-OG1 3.07Å
224A93.8Very high92.3Very high4 Ų417.4 Ų17.43%0.0339%0.094CC..Hα-helixtrans-60.8-4917800000112.7A76 A80 L220 F221 F222 Y226 T227 N228A76-A224 HydrophobicContact CB-CB 3.93Å; A80-A224 HydrophobicContact CB-CB 4.08Å; L220-A224 WeakPolarHBondContact O-CB 3.38Å; L220-A224 PolarHBondContact O-N 3.17Å; F221-A224 PolarHBondContact O-N 3.19Å; F222-A224 VanDerWaalsContact C-N 3.31Å; F222-A224 PolarHBondContact O-N 3.49Å; A224-Y226 PolarHBondContact O-N 2.89Å; A224-T227 VanDerWaalsContact CA-OG1 3.32Å; A224-T227 WeakPolarHBondContact CA-OG1 3.39Å; A224-T227 PolarHBondContact O-N 3.31Å; A224-T227 PolarHBondContact O-OG1 3.21Å; A224-N228 WeakPolarHBondContact O-CB 3.28Å; A224-N228 VanDerWaalsContact O-CG 3.31Å; A224-N228 PolarHBondContact O-N 2.77Å; A224-N228 PolarHBondContact O-ND2 3.38Å
225E92Very high92.8Very high30 Ų3016.8 Ų16.814%0.149%0.089CC..Hα-helixtrans-59.7-48.7179.3-169.9-168.2161.600111.4R193 F221 F222 T227 N228 I229R193-E225 WeakPolarHBondContact CD-OE1 3.39Å; R193-E225 IonicContact CZ-OE1 3.2Å; R193-E225 IonicContact NE-OE1 3.64Å; R193-E225 IonicContact NH1-OE1 2.84Å; R193-E225 PolarHBondContact NH1-OE1 2.73Å; R193-E225 IonicContact NH1-OE2 2.68Å; F221-E225 PolarHBondContact O-N 3.11Å; F222-E225 PolarHBondContact O-N 2.83Å; E225-T227 PolarHBondContact O-N 3.32Å; E225-N228 WeakPolarHBondContact O-CB 3.06Å; E225-N228 PolarHBondContact O-N 2.83Å; E225-N228 VanDerWaalsContact O-N 3.1Å; E225-I229 WeakPolarHBondContact O-CG1 3.34Å; E225-I229 PolarHBondContact O-N 3.17Å
226Y93Very high93.3Very high17 Ų1716.9 Ų16.97%0.0679%0.089CC..Hα-helixtrans-65.6-36.9178.4-78.9-67.3000113M15 L18 M19 E22 R193 F222 A224 N228 I229 I230M15-Y226 VanDerWaalsContact CG-CB 3.5Å; M15-Y226 HydrophobicContact CG-CG 4.49Å; L18-Y226 HydrophobicContact CD2-CD1 3.21Å; L18-Y226 HydrophobicContact CD2-CE1 3.54Å; L18-Y226 HydrophobicContact CD2-CG 4.27Å; M19-Y226 HydrophobicContact CG-CD1 4.49Å; M19-Y226 HydrophobicContact CG-CD2 3.78Å; M19-Y226 HydrophobicContact CG-CE1 4.22Å; M19-Y226 HydrophobicContact CG-CE2 3.59Å; M19-Y226 HydrophobicContact CG-CG 4.26Å; M19-Y226 HydrophobicContact SD-CD2 4.13Å; M19-Y226 HydrophobicContact SD-CE2 3.95Å; E22-Y226 PolarHBondContact OE1-OH 3.16Å; E22-Y226 VanDerWaalsContact OE2-CE1 3.28Å; E22-Y226 WeakPolarHBondContact OE2-CE1 3.42Å; E22-Y226 PolarHBondContact OE2-OH 3.06Å; R193-Y226 PolarHBondContact NH2-OH 3.37Å; R193-Y226 VanDerWaalsContact NH2-OH 3.11Å; F222-Y226 AromaticContact CD1-CE2 3.94Å; F222-Y226 HydrophobicContact CD1-CE2 3.94Å; F222-Y226 WeakPolarHBondContact O-CB 3.31Å; F222-Y226 WeakPolarHBondContact O-CD2 3.28Å; F222-Y226 PolarHBondContact O-N 3.44Å; A224-Y226 PolarHBondContact O-N 2.89Å; Y226-N228 VanDerWaalsContact C-N 3.3Å; Y226-N228 PolarHBondContact O-N 3.43Å; Y226-I229 HydrophobicContact CD1-CD1 3.9Å; Y226-I229 HydrophobicContact CE1-CD1 4.42Å; Y226-I229 PolarHBondContact O-N 3.27Å; Y226-I230 PolarHBondContact O-N 2.99Å
227T95Very high93.6Very high0 Ų016.2 Ų16.20%08%0.082CC..Hα-helixtrans-64.3-37172.150.90000111.8I11 M15 A80 M223 A224 E225 I229 I230 M231I11-T227 HydrophobicContact CG2-CG2 3.93Å; M15-T227 HydrophobicContact CB-CG2 3.95Å; M15-T227 HydrophobicContact CG-CG2 4.09Å; A80-T227 VanDerWaalsContact CB-OG1 3.22Å; A80-T227 WeakPolarHBondContact CB-OG1 3.43Å; M223-T227 WeakPolarHBondContact O-CB 3.44Å; M223-T227 VanDerWaalsContact O-CG2 3.29Å; M223-T227 WeakPolarHBondContact O-CG2 3.49Å; M223-T227 PolarHBondContact O-N 3.31Å; M223-T227 PolarHBondContact O-OG1 3.07Å; A224-T227 VanDerWaalsContact CA-OG1 3.32Å; A224-T227 WeakPolarHBondContact CA-OG1 3.39Å; A224-T227 PolarHBondContact O-N 3.31Å; A224-T227 PolarHBondContact O-OG1 3.21Å; E225-T227 PolarHBondContact O-N 3.32Å; T227-I229 VanDerWaalsContact C-N 3.35Å; T227-I230 PolarHBondContact O-N 3.02Å; T227-M231 WeakPolarHBondContact O-CB 3.4Å; T227-M231 PolarHBondContact O-N 3.02Å
228N94.3Very high93.8Very high29 Ų2914.7 Ų14.716%0.1557%0.072CC..Hα-helixtrans-66.7-34.6175.4-73.6-19.1000112.1A80 T191 A224 E225 Y226 M231 M232A80-N228 WeakPolarHBondContact CA-OD1 3.4Å; A80-N228 VanDerWaalsContact CB-OD1 3.25Å; A80-N228 WeakPolarHBondContact CB-OD1 3.5Å; T191-N228 HydrophobicContact CG2-CB 4.44Å; A224-N228 WeakPolarHBondContact O-CB 3.28Å; A224-N228 VanDerWaalsContact O-CG 3.31Å; A224-N228 PolarHBondContact O-N 2.77Å; A224-N228 PolarHBondContact O-ND2 3.38Å; E225-N228 WeakPolarHBondContact O-CB 3.06Å; E225-N228 PolarHBondContact O-N 2.83Å; E225-N228 VanDerWaalsContact O-N 3.1Å; Y226-N228 VanDerWaalsContact C-N 3.3Å; Y226-N228 PolarHBondContact O-N 3.43Å; N228-M231 PolarHBondContact O-N 3.48Å; N228-M232 WeakPolarHBondContact O-CB 3.35Å; N228-M232 VanDerWaalsContact O-CG 3.3Å; N228-M232 WeakPolarHBondContact O-CG 3.28Å; N228-M232 PolarHBondContact O-N 3.46Å
229I94.6Very high94.1Very high6 Ų612 Ų123%0.0316%0.061CC..Hα-helixtrans-61.4-48.2174.5-66.3165.4000111.1T191 R193 E225 Y226 T227 M231 N233 F268T191-I229 HydrophobicContact CG2-CG1 4.19Å; R193-I229 HydrophobicContact CG-CD1 3.92Å; R193-I229 HydrophobicContact CG-CG1 4.25Å; E225-I229 WeakPolarHBondContact O-CG1 3.34Å; E225-I229 PolarHBondContact O-N 3.17Å; Y226-I229 HydrophobicContact CD1-CD1 3.9Å; Y226-I229 HydrophobicContact CE1-CD1 4.42Å; Y226-I229 PolarHBondContact O-N 3.27Å; T227-I229 VanDerWaalsContact C-N 3.35Å; I229-M231 VanDerWaalsContact C-N 3.34Å; I229-N233 WeakPolarHBondContact O-CB 3.34Å; I229-N233 PolarHBondContact O-N 2.99Å; I229-N233 VanDerWaalsContact O-N 3.16Å; I229-N233 PolarHBondContact O-ND2 3.3Å; I229-F268 HydrophobicContact CG2-CD2 3.85Å; I229-F268 HydrophobicContact CG2-CE2 4.36Å
230I95.7Very high94.3Very high17 Ų1712 Ų129%0.0876%0.059CC..Hα-helixtrans-67.4-42.9179.3-51.4169.8000109.1A14 M15 L18 W84 Y226 T227 M232 N233 T234A14-I230 HydrophobicContact CB-CD1 4.25Å; M15-I230 HydrophobicContact CB-CD1 4.39Å; L18-I230 HydrophobicContact CB-CD1 4.33Å; L18-I230 HydrophobicContact CD1-CD1 3.89Å; L18-I230 HydrophobicContact CD1-CG1 3.49Å; L18-I230 VanDerWaalsContact CD1-CG1 3.49Å; W84-I230 HydrophobicContact CH2-CB 3.92Å; W84-I230 HydrophobicContact CH2-CG2 3.56Å; W84-I230 HydrophobicContact CZ2-CB 3.93Å; W84-I230 HydrophobicContact CZ2-CG2 4.11Å; Y226-I230 PolarHBondContact O-N 2.99Å; T227-I230 PolarHBondContact O-N 3.02Å; I230-M232 PolarHBondContact O-N 2.87Å; I230-N233 CarbonylContact O-C 3.42Å; I230-N233 PolarHBondContact O-N 2.92Å; I230-T234 HydrophobicContact CG2-CG2 4.22Å; I230-T234 VanDerWaalsContact O-CG2 3.24Å; I230-T234 WeakPolarHBondContact O-CG2 3.29Å; I230-T234 PolarHBondContact O-N 2.94Å; I230-T234 PolarHBondContact O-OG1 3.42Å
231M95.6Very high94.4Very high0 Ų011.7 Ų11.70%06%0.057CC..Hα-helixtrans-59.3-49179.7-173.8-81.6-62.500111.9L83 W84 L87 T227 N228 I229 N233 T234 L235L83-M231 HydrophobicContact CB-CE 3.82Å; L83-M231 HydrophobicContact CB-CG 3.84Å; L83-M231 HydrophobicContact CB-SD 3.92Å; L83-M231 HydrophobicContact CD1-CE 3.46Å; L83-M231 VanDerWaalsContact CD1-CE 3.46Å; L83-M231 HydrophobicContact CD2-CE 4.13Å; L83-M231 HydrophobicContact CD2-SD 4.46Å; L83-M231 HydrophobicContact CG-CE 3.99Å; W84-M231 HydrophobicContact CD2-CB 4.46Å; W84-M231 HydrophobicContact CD2-CG 4.43Å; W84-M231 HydrophobicContact CZ2-CB 3.76Å; L87-M231 HydrophobicContact CD1-CG 4.17Å; T227-M231 WeakPolarHBondContact O-CB 3.4Å; T227-M231 PolarHBondContact O-N 3.02Å; N228-M231 PolarHBondContact O-N 3.48Å; I229-M231 VanDerWaalsContact C-N 3.34Å; M231-N233 VanDerWaalsContact C-N 3.31Å; M231-N233 PolarHBondContact O-N 2.84Å; M231-T234 VanDerWaalsContact C-OG1 3.32Å; M231-T234 WeakPolarHBondContact CA-OG1 3.48Å; M231-T234 PolarHBondContact O-N 3.47Å; M231-T234 VanDerWaalsContact O-N 3.08Å; M231-T234 PolarHBondContact O-OG1 3.03Å; M231-L235 PolarHBondContact O-N 3.48Å
232M94.9Very high94.2Very high8 Ų811.1 Ų11.14%0.0396%0.055CC..Hα-helixtrans-62.3-39.4177.5-70.4-54.9-179.500111.9T187 E190 T191 N228 I230 T234 L235 T236T187-M232 HydrophobicContact CG2-CB 4.44Å; E190-M232 HydrophobicContact CG-CE 4.02Å; E190-M232 WeakPolarHBondContact OE1-CE 3.23Å; E190-M232 VanDerWaalsContact OE2-CE 3.28Å; E190-M232 WeakPolarHBondContact OE2-CE 3.34Å; T191-M232 HydrophobicContact CG2-CB 4.27Å; T191-M232 HydrophobicContact CG2-CG 3.82Å; N228-M232 WeakPolarHBondContact O-CB 3.35Å; N228-M232 VanDerWaalsContact O-CG 3.3Å; N228-M232 WeakPolarHBondContact O-CG 3.28Å; N228-M232 PolarHBondContact O-N 3.46Å; I230-M232 PolarHBondContact O-N 2.87Å; M232-T234 VanDerWaalsContact C-N 3.33Å; M232-T234 PolarHBondContact O-N 3.1Å; M232-L235 PolarHBondContact O-N 3.35Å; M232-T236 WeakPolarHBondContact O-CG2 3.47Å; M232-T236 PolarHBondContact O-N 3.03Å
233N95.8Very high94.2Very high0 Ų09.7 Ų9.70%05%0.05CC..Hα-helixtrans-69.4-29.4174.9-75.9-58.3000113.4I229 I230 M231 T236 T237 L264 T265 F268I229-N233 WeakPolarHBondContact O-CB 3.34Å; I229-N233 PolarHBondContact O-N 2.99Å; I229-N233 VanDerWaalsContact O-N 3.16Å; I229-N233 PolarHBondContact O-ND2 3.3Å; I230-N233 CarbonylContact O-C 3.42Å; I230-N233 PolarHBondContact O-N 2.92Å; M231-N233 VanDerWaalsContact C-N 3.31Å; M231-N233 PolarHBondContact O-N 2.84Å; N233-T236 WeakPolarHBondContact CA-OG1 3.46Å; N233-T236 PolarHBondContact O-OG1 3.09Å; N233-T237 WeakPolarHBondContact O-CG2 3.39Å; N233-T237 PolarHBondContact O-N 3.5Å; N233-T237 PolarHBondContact O-OG1 3.41Å; N233-L264 HydrophobicContact CB-CB 4.3Å; N233-T265 HydrophobicContact CB-CG2 3.67Å; N233-F268 WeakPolarHBondContact OD1-CD1 3.43Å; N233-F268 WeakPolarHBondContact OD1-CE1 3.4Å
234T95.3Very high93.8Very high4 Ų412.4 Ų12.43%0.0257%0.068CC..Hα-helixtrans-68.5-42.6169.960.60000110.6W84 L87 I230 M231 M232 T237 T238 F257 T261W84-T234 HydrophobicContact CH2-CG2 3.99Å; W84-T234 HydrophobicContact CZ3-CG2 3.9Å; L87-T234 WeakPolarHBondContact CD1-OG1 3.43Å; I230-T234 HydrophobicContact CG2-CG2 4.22Å; I230-T234 VanDerWaalsContact O-CG2 3.24Å; I230-T234 WeakPolarHBondContact O-CG2 3.29Å; I230-T234 PolarHBondContact O-N 2.94Å; I230-T234 PolarHBondContact O-OG1 3.42Å; M231-T234 VanDerWaalsContact C-OG1 3.32Å; M231-T234 WeakPolarHBondContact CA-OG1 3.48Å; M231-T234 PolarHBondContact O-N 3.47Å; M231-T234 VanDerWaalsContact O-N 3.08Å; M231-T234 PolarHBondContact O-OG1 3.03Å; M232-T234 VanDerWaalsContact C-N 3.33Å; M232-T234 PolarHBondContact O-N 3.1Å; T234-T237 WeakPolarHBondContact CA-OG1 3.38Å; T234-T237 PolarHBondContact O-N 3.29Å; T234-T237 PolarHBondContact O-OG1 2.99Å; T234-T238 WeakPolarHBondContact O-CG2 3.25Å; T234-T238 PolarHBondContact O-N 3.27Å; T234-F257 HydrophobicContact CG2-CE1 4.3Å; T234-T261 HydrophobicContact CG2-CG2 3.73Å
235L95.9Very high93.5Very high2 Ų216.4 Ų16.41%0.018%0.083CC..Hα-helixtrans-65.4-43.5177.7-169.6141000112L87 I103 W183 M231 M232 T237 T238 I239L87-L235 HydrophobicContact CD2-CB 4.37Å; L87-L235 HydrophobicContact CD2-CD1 4.47Å; I103-L235 HydrophobicContact CB-CD1 4.3Å; I103-L235 HydrophobicContact CD1-CD1 3.66Å; I103-L235 HydrophobicContact CG1-CD1 4.33Å; I103-L235 HydrophobicContact CG2-CD1 3.53Å; W183-L235 HydrophobicContact CH2-CD2 3.48Å; W183-L235 VanDerWaalsContact CH2-CD2 3.48Å; W183-L235 HydrophobicContact CZ2-CD2 3.08Å; M231-L235 PolarHBondContact O-N 3.48Å; M232-L235 PolarHBondContact O-N 3.35Å; L235-T237 VanDerWaalsContact C-N 3.27Å; L235-T237 PolarHBondContact O-N 3.31Å; L235-T238 WeakPolarHBondContact CA-OG1 3.27Å; L235-T238 PolarHBondContact O-N 3.47Å; L235-T238 VanDerWaalsContact O-N 3.11Å; L235-T238 PolarHBondContact O-OG1 2.93Å; L235-I239 HydrophobicContact CD2-CD1 3.38Å; L235-I239 HydrophobicContact CD2-CG1 4.35Å; L235-I239 HydrophobicContact CG-CD1 4.05Å; L235-I239 WeakPolarHBondContact O-CG1 3.44Å; L235-I239 PolarHBondContact O-N 3.25Å
236T96.6Very high93.1Very high5 Ų518.9 Ų18.93%0.03110%0.097CC..Hα-helixtrans-57.4-40.9174.365.50000111.2T187 M232 N233 I239 F240 L264T187-T236 HydrophobicContact CG2-CG2 4.03Å; M232-T236 WeakPolarHBondContact O-CG2 3.47Å; M232-T236 PolarHBondContact O-N 3.03Å; N233-T236 WeakPolarHBondContact CA-OG1 3.46Å; N233-T236 PolarHBondContact O-OG1 3.09Å; T236-I239 PolarHBondContact O-N 2.84Å; T236-F240 PolarHBondContact O-N 3.46Å; T236-L264 WeakPolarHBondContact OG1-CD1 3.41Å
237T96.1Very high92.6Very high0 Ų021.5 Ų21.50%012%0.123CC..Hα-helixtrans-68.2-38.4175.555.40000113.3N233 T234 L235 I239 L241 G242 F257 K260 T261 L264N233-T237 WeakPolarHBondContact O-CG2 3.39Å; N233-T237 PolarHBondContact O-N 3.5Å; N233-T237 PolarHBondContact O-OG1 3.41Å; T234-T237 WeakPolarHBondContact CA-OG1 3.38Å; T234-T237 PolarHBondContact O-N 3.29Å; T234-T237 PolarHBondContact O-OG1 2.99Å; L235-T237 VanDerWaalsContact C-N 3.27Å; L235-T237 PolarHBondContact O-N 3.31Å; T237-I239 VanDerWaalsContact C-N 3.29Å; T237-I239 PolarHBondContact O-N 3.2Å; T237-L241 CarbonylContact O-C 3.32Å; T237-L241 WeakPolarHBondContact O-CA 3.29Å; T237-L241 PolarHBondContact O-N 3.05Å; T237-G242 PolarHBondContact O-N 3.48Å; T237-G242 VanDerWaalsContact O-N 3.12Å; T237-F257 WeakPolarHBondContact OG1-CE2 3.27Å; T237-F257 WeakPolarHBondContact OG1-CZ 3.24Å; T237-K260 HydrophobicContact CG2-CB 4Å; T237-T261 HydrophobicContact CG2-CG2 3.72Å; T237-T261 WeakPolarHBondContact OG1-CG2 3.46Å; T237-L264 HydrophobicContact CG2-CD1 3.55Å; T237-L264 HydrophobicContact CG2-CG 4.27Å
238T94.8Very high92.2Very high2 Ų229.2 Ų29.21%0.01216%0.163CC..Hα-helixtrans-63.3-37.3176.158.70000112.1P88 Q167 T234 L235 F257P88-T238 HydrophobicContact CG-CG2 4.1Å; Q167-T238 PolarHBondContact NE2-O 2.95Å; T234-T238 WeakPolarHBondContact O-CG2 3.25Å; T234-T238 PolarHBondContact O-N 3.27Å; L235-T238 WeakPolarHBondContact CA-OG1 3.27Å; L235-T238 PolarHBondContact O-N 3.47Å; L235-T238 VanDerWaalsContact O-N 3.11Å; L235-T238 PolarHBondContact O-OG1 2.93Å; T238-F257 HydrophobicContact CG2-CE2 3.46Å; T238-F257 VanDerWaalsContact CG2-CE2 3.46Å; T238-F257 HydrophobicContact CG2-CZ 3.6Å
239I95.3Very high91.9Very high0 Ų029.4 Ų29.40%017%0.167CC..Hα-helixtrans-82.1-43.6-174.8-63.5175.1000111.9L100 L148 T151 L163 Q167 L172 W183 L235 T236 T237L100-I239 HydrophobicContact CD1-CD1 4.29Å; L148-I239 HydrophobicContact CD2-CD1 3.29Å; T151-I239 HydrophobicContact CG2-CG2 4.31Å; L163-I239 HydrophobicContact CD1-CG1 4.2Å; Q167-I239 PolarHBondContact NE2-O 3.45Å; Q167-I239 PolarHBondContact OE1-O 2.93Å; L172-I239 VanDerWaalsContact CB-O 3.27Å; L172-I239 WeakPolarHBondContact CB-O 3.33Å; L172-I239 HydrophobicContact CD2-CG2 4.24Å; L172-I239 VanDerWaalsContact CD2-O 3.25Å; L172-I239 WeakPolarHBondContact CD2-O 3.01Å; W183-I239 HydrophobicContact CH2-CD1 4.48Å; W183-I239 HydrophobicContact CZ2-CD1 4.32Å; L235-I239 HydrophobicContact CD2-CD1 3.38Å; L235-I239 HydrophobicContact CD2-CG1 4.35Å; L235-I239 HydrophobicContact CG-CD1 4.05Å; L235-I239 WeakPolarHBondContact O-CG1 3.44Å; L235-I239 PolarHBondContact O-N 3.25Å; T236-I239 PolarHBondContact O-N 2.84Å; T237-I239 VanDerWaalsContact C-N 3.29Å; T237-I239 PolarHBondContact O-N 3.2Å
240F95.8Very high91.5Very high5 Ų531.5 Ų31.52%0.02218%0.181CC..Hα-helixtrans-110.2-27.6-169.7-66.4-74000114.7T151 Q167 L172 L173 S176 A180 W183 T236T151-F240 HydrophobicContact CG2-CE1 3.7Å; T151-F240 HydrophobicContact CG2-CZ 3.66Å; Q167-F240 PolarHBondContact OE1-O 2.98Å; L172-F240 PolarHBondContact N-O 3.27Å; L173-F240 HydrophobicContact CB-CB 4.15Å; L173-F240 WeakPolarHBondContact CB-O 3.19Å; L173-F240 HydrophobicContact CD1-CB 4.49Å; L173-F240 PolarHBondContact N-O 2.86Å; L173-F240 VanDerWaalsContact N-O 3.09Å; S176-F240 VanDerWaalsContact OG-CE1 3.3Å; S176-F240 WeakPolarHBondContact OG-CE1 3.41Å; A180-F240 HydrophobicContact CB-CD1 3.55Å; A180-F240 HydrophobicContact CB-CD2 4.36Å; A180-F240 HydrophobicContact CB-CE1 3.61Å; A180-F240 HydrophobicContact CB-CE2 4.45Å; A180-F240 HydrophobicContact CB-CG 3.93Å; A180-F240 HydrophobicContact CB-CZ 4.08Å; W183-F240 HydrophobicContact CB-CE2 3.79Å; W183-F240 HydrophobicContact CB-CZ 4.01Å; W183-F240 AromaticContact CD1-CD2 3.85Å; W183-F240 AromaticContact CD1-CE2 3.35Å; W183-F240 AromaticContact CD2-CE2 3.96Å; W183-F240 HydrophobicContact CD2-CE2 3.96Å; W183-F240 HydrophobicContact CG-CD2 4.31Å; W183-F240 AromaticContact CG-CE2 3.38Å; W183-F240 HydrophobicContact CG-CE2 3.38Å; W183-F240 HydrophobicContact CG-CZ 4.05Å; W183-F240 AromaticContact NE1-CE2 3.89Å; T236-F240 PolarHBondContact O-N 3.46Å
241L94.1Very high91.2Very high32 Ų3237.8 Ų37.817%0.16821%0.21CC..SBendtrans-12640.7-170.4-65.3175.3000111.8W171 L173 T237 K260 L264W171-L241 HydrophobicContact CD2-CD2 4.36Å; W171-L241 HydrophobicContact CE3-CD2 4.09Å; L173-L241 HydrophobicContact CB-CD2 4.23Å; L173-L241 HydrophobicContact CD1-CD2 3.93Å; L173-L241 HydrophobicContact CD1-CG 4.33Å; T237-L241 CarbonylContact O-C 3.32Å; T237-L241 WeakPolarHBondContact O-CA 3.29Å; T237-L241 PolarHBondContact O-N 3.05Å; L241-K260 HydrophobicContact CB-CD 4.13Å; L241-K260 VanDerWaalsContact O-CD 3.28Å; L241-K260 WeakPolarHBondContact O-CD 2.99Å; L241-K260 PolarHBondContact O-NZ 3.12Å; L241-L264 HydrophobicContact CD1-CD1 4.26Å; L241-L264 HydrophobicContact CD1-CD2 4.45Å
242G88.5Confident91Very high1 Ų141.9 Ų41.91%0.0123%0.231CC..  trans-49.5149.4176.200000112.5Q167 W171 T237 K260Q167-G242 VanDerWaalsContact OE1-CA 3.31Å; W171-G242 PolarHBondContact NE1-O 3.33Å; T237-G242 PolarHBondContact O-N 3.48Å; T237-G242 VanDerWaalsContact O-N 3.12Å; G242-K260 PolarHBondContact O-NZ 2.6Å
243T87.9Confident90.9Very high7 Ų741.6 Ų41.64%0.04323%0.23CC..  trans-108.8146.4176.841.80000109.3Y245 Y253 K260T243-Y245 PolarHBondContact O-N 3.11Å; T243-Y253 WeakPolarHBondContact O-CD2 3.28Å; T243-Y253 WeakPolarHBondContact O-CE2 3.25Å; T243-Y253 WeakPolarHBondContact OG1-CD2 3.12Å; T243-Y253 WeakPolarHBondContact OG1-CE2 3.44Å; T243-K260 HydrophobicContact CG2-CD 3.99Å
244T84.3Confident90.7Very high91 Ų9143.9 Ų43.956%0.55824%0.243SC*.  trans-64131.4175.849.70000109.7
245Y87.1Confident90.6Very high88 Ų8847 Ų4735%0.34526%0.263SS..  trans-92.6118.5176.5176.5-105.4000109.9P90 T243 A247 P250 Y253P90-Y245 HydrophobicContact CB-CD2 3.57Å; P90-Y245 HydrophobicContact CB-CE2 3.56Å; P90-Y245 HydrophobicContact CG-CD2 4.14Å; P90-Y245 HydrophobicContact CG-CE2 3.73Å; T243-Y245 PolarHBondContact O-N 3.11Å; Y245-A247 HydrophobicContact CE1-CB 4.1Å; Y245-P250 HydrophobicContact CE2-CB 4.33Å; Y245-Y253 HydrophobicContact CD2-CD2 4.42Å
246D84.3Confident90.5Very high82 Ų8253.2 Ų53.244%0.43929%0.287SS..  trans-105.3122167.7-170.7-7.5000108.9L248 S249D246-L248 PolarHBondContact O-N 2.86Å; D246-L248 PolarHBondContact OD1-N 3.23Å; D246-S249 CarbonylContact O-C 3Å; D246-S249 PolarHBondContact O-N 3.33Å
247A83.2Confident90.4Very high73 Ų7353 Ų5360%0.60329%0.286SS*.THydrogen-bonded Turntrans-65.9-25.8-177.300000112.8Y245Y245-A247 HydrophobicContact CE1-CB 4.1Å
248L85.8Confident90.3Very high161 Ų16156.1 Ų56.184%0.84330%0.304SS*.THydrogen-bonded Turntrans-75.1-27.9179.5-67.9170.4000112.5D246D246-L248 PolarHBondContact O-N 2.86Å; D246-L248 PolarHBondContact OD1-N 3.23Å
249S87.9Confident90.3Very high33 Ų3360 Ų6023%0.23133%0.328CS..  trans-139.574.3-17657.80000111.4D246 E251 L252D246-S249 CarbonylContact O-C 3Å; D246-S249 PolarHBondContact O-N 3.33Å; S249-E251 PolarHBondContact O-N 2.85Å; S249-E251 VanDerWaalsContact O-N 3.15Å; S249-L252 PolarHBondContact O-N 2.68Å; S249-L252 VanDerWaalsContact O-N 3.14Å; S249-L252 VanDerWaalsContact OG-CD1 3.3Å; S249-L252 WeakPolarHBondContact OG-CD1 3.43Å
250P87.2Confident90.3Very high51 Ų5161.9 Ų61.933%0.33134%0.336SS..Hα-helixtrans-62.8-23179.926-35.1000112.7P90 Y245 L252 Y253 T254P90-P250 HydrophobicContact CG-CB 3.93Å; Y245-P250 HydrophobicContact CE2-CB 4.33Å; P250-L252 VanDerWaalsContact C-N 3.31Å; P250-L252 PolarHBondContact O-N 3.44Å; P250-Y253 WeakPolarHBondContact O-CB 3.39Å; P250-Y253 PolarHBondContact O-N 2.8Å; P250-T254 PolarHBondContact O-N 3.03Å
251E89.9Confident90.3Very high149 Ų14962 Ų6270%0.69634%0.338SS*.Hα-helixtrans-62.2-37.5176.6-63.5176.6-177.200111.8S249 Y253 T254 T255S249-E251 PolarHBondContact O-N 2.85Å; S249-E251 VanDerWaalsContact O-N 3.15Å; E251-Y253 VanDerWaalsContact C-N 3.32Å; E251-Y253 PolarHBondContact O-N 3.26Å; E251-T254 PolarHBondContact O-N 3.01Å; E251-T254 VanDerWaalsContact O-N 3.09Å; E251-T254 PolarHBondContact O-OG1 2.78Å; E251-T255 WeakPolarHBondContact O-CG2 3.34Å; E251-T255 PolarHBondContact O-N 2.8Å
252L90.8Very high90.4Very high86 Ų8665.5 Ų65.545%0.4536%0.356SS..Hα-helixtrans-60.8-43.4178-67.9-176.8000111.1S249 P250 T254 T255 Y256S249-L252 PolarHBondContact O-N 2.68Å; S249-L252 VanDerWaalsContact O-N 3.14Å; S249-L252 VanDerWaalsContact OG-CD1 3.3Å; S249-L252 WeakPolarHBondContact OG-CD1 3.43Å; P250-L252 VanDerWaalsContact C-N 3.31Å; P250-L252 PolarHBondContact O-N 3.44Å; L252-T254 VanDerWaalsContact C-N 3.32Å; L252-T254 PolarHBondContact O-N 2.99Å; L252-T255 PolarHBondContact O-N 3.14Å; L252-T255 PolarHBondContact O-OG1 3.32Å; L252-Y256 HydrophobicContact CB-CD2 4.48Å; L252-Y256 HydrophobicContact CB-CE2 4.28Å; L252-Y256 WeakPolarHBondContact O-CD2 3.46Å; L252-Y256 PolarHBondContact O-N 2.81Å
253Y91.7Very high90.7Very high2 Ų270.6 Ų70.61%0.00838%0.383CS..Hα-helixtrans-54.9-50173.6178.6-80.7000110.8P90 I164 T243 Y245 P250 E251 T255 Y256 F257P90-Y253 HydrophobicContact CB-CD1 3.54Å; P90-Y253 HydrophobicContact CB-CD2 4.44Å; P90-Y253 HydrophobicContact CB-CE1 3.92Å; P90-Y253 HydrophobicContact CB-CG 3.86Å; P90-Y253 HydrophobicContact CG-CD1 4.15Å; P90-Y253 HydrophobicContact CG-CG 4.49Å; I164-Y253 HydrophobicContact CD1-CE1 4.47Å; I164-Y253 HydrophobicContact CD1-CE2 3.95Å; I164-Y253 WeakPolarHBondContact CD1-OH 3.32Å; I164-Y253 HydrophobicContact CG1-CE2 4.18Å; I164-Y253 WeakPolarHBondContact CG1-OH 3.46Å; I164-Y253 HydrophobicContact CG2-CE2 3.74Å; T243-Y253 WeakPolarHBondContact O-CD2 3.28Å; T243-Y253 WeakPolarHBondContact O-CE2 3.25Å; T243-Y253 WeakPolarHBondContact OG1-CD2 3.12Å; T243-Y253 WeakPolarHBondContact OG1-CE2 3.44Å; Y245-Y253 HydrophobicContact CD2-CD2 4.42Å; P250-Y253 WeakPolarHBondContact O-CB 3.39Å; P250-Y253 PolarHBondContact O-N 2.8Å; E251-Y253 VanDerWaalsContact C-N 3.32Å; E251-Y253 PolarHBondContact O-N 3.26Å; Y253-T255 VanDerWaalsContact C-N 3.33Å; Y253-T255 PolarHBondContact O-N 3.45Å; Y253-Y256 PolarHBondContact O-N 3.11Å; Y253-F257 HydrophobicContact CD1-CB 4.36Å; Y253-F257 HydrophobicContact CE1-CB 4.08Å; Y253-F257 HydrophobicContact CE1-CD2 4.39Å; Y253-F257 HydrophobicContact CE1-CG 4.24Å; Y253-F257 WeakPolarHBondContact O-CB 3.14Å; Y253-F257 PolarHBondContact O-N 3.35Å
254T92.4Very high91.1Very high47 Ų4771.2 Ų71.229%0.28839%0.385SS..Hα-helixtrans-61-40.3-17964.70000112.4P250 E251 L252 F257 V258P250-T254 PolarHBondContact O-N 3.03Å; E251-T254 PolarHBondContact O-N 3.01Å; E251-T254 VanDerWaalsContact O-N 3.09Å; E251-T254 PolarHBondContact O-OG1 2.78Å; L252-T254 VanDerWaalsContact C-N 3.32Å; L252-T254 PolarHBondContact O-N 2.99Å; T254-F257 PolarHBondContact O-N 3.21Å; T254-V258 WeakPolarHBondContact O-CB 3.35Å; T254-V258 WeakPolarHBondContact O-CG2 3.4Å; T254-V258 PolarHBondContact O-N 3.2Å
255T92.5Very high91.6Very high70 Ų7067.4 Ų67.443%0.42936%0.362SS..Hα-helixtrans-67.4-44.7179.861.60000112.4E251 L252 Y253 V258 T259E251-T255 WeakPolarHBondContact O-CG2 3.34Å; E251-T255 PolarHBondContact O-N 2.8Å; L252-T255 PolarHBondContact O-N 3.14Å; L252-T255 PolarHBondContact O-OG1 3.32Å; Y253-T255 VanDerWaalsContact C-N 3.33Å; Y253-T255 PolarHBondContact O-N 3.45Å; T255-V258 PolarHBondContact O-N 2.67Å; T255-T259 WeakPolarHBondContact O-CB 3.25Å; T255-T259 VanDerWaalsContact O-CG2 3.27Å; T255-T259 WeakPolarHBondContact O-CG2 3.4Å; T255-T259 PolarHBondContact O-N 3.15Å; T255-T259 PolarHBondContact O-OG1 3.44Å
256Y93.9Very high91.9Very high133 Ų13365.6 Ų65.652%0.52236%0.362SS..Hα-helixtrans-67.2-39.4176.3-69.2-57.2000111.8L252 Y253 T259 K260L252-Y256 HydrophobicContact CB-CD2 4.48Å; L252-Y256 HydrophobicContact CB-CE2 4.28Å; L252-Y256 WeakPolarHBondContact O-CD2 3.46Å; L252-Y256 PolarHBondContact O-N 2.81Å; Y253-Y256 PolarHBondContact O-N 3.11Å; Y256-T259 WeakPolarHBondContact CA-OG1 3.14Å; Y256-T259 PolarHBondContact O-N 3.13Å; Y256-T259 PolarHBondContact O-OG1 3.42Å; Y256-K260 VanDerWaalsContact O-CG 3.31Å; Y256-K260 WeakPolarHBondContact O-CG 3.17Å; Y256-K260 PolarHBondContact O-N 3.15Å; Y256-K260 VanDerWaalsContact O-N 3.1Å
257F94.9Very high92.3Very high1 Ų164.2 Ų64.20%0.00436%0.355CS..Hα-helixtrans-61.1-51.4176-177.8-101.4000110.9M89 T234 T237 T238 Y253 T254 T259 K260 T261M89-F257 HydrophobicContact CE-CE1 4.45Å; M89-F257 HydrophobicContact CG-CD1 4.18Å; M89-F257 HydrophobicContact CG-CE1 3.91Å; M89-F257 HydrophobicContact SD-CE1 4.34Å; T234-F257 HydrophobicContact CG2-CE1 4.3Å; T237-F257 WeakPolarHBondContact OG1-CE2 3.27Å; T237-F257 WeakPolarHBondContact OG1-CZ 3.24Å; T238-F257 HydrophobicContact CG2-CE2 3.46Å; T238-F257 VanDerWaalsContact CG2-CE2 3.46Å; T238-F257 HydrophobicContact CG2-CZ 3.6Å; Y253-F257 HydrophobicContact CD1-CB 4.36Å; Y253-F257 HydrophobicContact CE1-CB 4.08Å; Y253-F257 HydrophobicContact CE1-CD2 4.39Å; Y253-F257 HydrophobicContact CE1-CG 4.24Å; Y253-F257 WeakPolarHBondContact O-CB 3.14Å; Y253-F257 PolarHBondContact O-N 3.35Å; T254-F257 PolarHBondContact O-N 3.21Å; F257-T259 PolarHBondContact O-N 3.4Å; F257-K260 PolarHBondContact O-N 3.11Å; F257-T261 HydrophobicContact CD1-CG2 4.26Å; F257-T261 HydrophobicContact CE1-CG2 3.93Å; F257-T261 HydrophobicContact CE2-CG2 4.45Å; F257-T261 HydrophobicContact CZ-CG2 4.03Å; F257-T261 WeakPolarHBondContact O-CG2 3.36Å; F257-T261 PolarHBondContact O-N 3.1Å
258V94.4Very high92.8Very high64 Ų6461.2 Ų61.239%0.38833%0.328SS..Hα-helixtrans-63.8-38.1-179.9171.70000112.2T254 T255 T261 L262T254-V258 WeakPolarHBondContact O-CB 3.35Å; T254-V258 WeakPolarHBondContact O-CG2 3.4Å; T254-V258 PolarHBondContact O-N 3.2Å; T255-V258 PolarHBondContact O-N 2.67Å; V258-T261 WeakPolarHBondContact CA-OG1 3.45Å; V258-T261 PolarHBondContact O-N 3.3Å; V258-T261 PolarHBondContact O-OG1 2.9Å; V258-L262 HydrophobicContact CG1-CD1 3.92Å; V258-L262 HydrophobicContact CG1-CG 4.27Å; V258-L262 WeakPolarHBondContact O-CB 3.43Å; V258-L262 VanDerWaalsContact O-CG 3.23Å; V258-L262 WeakPolarHBondContact O-CG 3.3Å; V258-L262 PolarHBondContact O-N 3.19Å
259T95Very high93.1Very high83 Ų8354 Ų5451%0.50929%0.29SS..Hα-helixtrans-65.8-39.4176.650.30000112.1T255 Y256 F257 L262 L263T255-T259 WeakPolarHBondContact O-CB 3.25Å; T255-T259 VanDerWaalsContact O-CG2 3.27Å; T255-T259 WeakPolarHBondContact O-CG2 3.4Å; T255-T259 PolarHBondContact O-N 3.15Å; T255-T259 PolarHBondContact O-OG1 3.44Å; Y256-T259 WeakPolarHBondContact CA-OG1 3.14Å; Y256-T259 PolarHBondContact O-N 3.13Å; Y256-T259 PolarHBondContact O-OG1 3.42Å; F257-T259 PolarHBondContact O-N 3.4Å; T259-L262 PolarHBondContact O-N 3.32Å; T259-L263 PolarHBondContact O-N 3.31Å
260K95.7Very high93.3Very high40 Ų4059.2 Ų59.217%0.17431%0.305CS..Hα-helixtrans-66.3-40.4174.5-68.3-179.1-175-171.90112.2T237 L241 G242 T243 Y256 F257 L263 L264T237-K260 HydrophobicContact CG2-CB 4Å; L241-K260 HydrophobicContact CB-CD 4.13Å; L241-K260 VanDerWaalsContact O-CD 3.28Å; L241-K260 WeakPolarHBondContact O-CD 2.99Å; L241-K260 PolarHBondContact O-NZ 3.12Å; G242-K260 PolarHBondContact O-NZ 2.6Å; T243-K260 HydrophobicContact CG2-CD 3.99Å; Y256-K260 VanDerWaalsContact O-CG 3.31Å; Y256-K260 WeakPolarHBondContact O-CG 3.17Å; Y256-K260 PolarHBondContact O-N 3.15Å; Y256-K260 VanDerWaalsContact O-N 3.1Å; F257-K260 PolarHBondContact O-N 3.11Å; K260-L263 WeakPolarHBondContact O-CB 3.07Å; K260-L263 PolarHBondContact O-N 3Å; K260-L264 PolarHBondContact O-N 3.37Å
261T95.6Very high93.6Very high9 Ų957.7 Ų57.76%0.05529%0.294CS..Hα-helixtrans-65.7-40.2176.161.30000111.9T234 T237 F257 V258 L263 L264 T265T234-T261 HydrophobicContact CG2-CG2 3.73Å; T237-T261 HydrophobicContact CG2-CG2 3.72Å; T237-T261 WeakPolarHBondContact OG1-CG2 3.46Å; F257-T261 HydrophobicContact CD1-CG2 4.26Å; F257-T261 HydrophobicContact CE1-CG2 3.93Å; F257-T261 HydrophobicContact CE2-CG2 4.45Å; F257-T261 HydrophobicContact CZ-CG2 4.03Å; F257-T261 WeakPolarHBondContact O-CG2 3.36Å; F257-T261 PolarHBondContact O-N 3.1Å; V258-T261 WeakPolarHBondContact CA-OG1 3.45Å; V258-T261 PolarHBondContact O-N 3.3Å; V258-T261 PolarHBondContact O-OG1 2.9Å; T261-L263 VanDerWaalsContact C-N 3.3Å; T261-L263 PolarHBondContact O-N 2.97Å; T261-L264 PolarHBondContact O-N 2.78Å; T261-T265 WeakPolarHBondContact O-CG2 3.38Å; T261-T265 PolarHBondContact O-N 3.26Å; T261-T265 PolarHBondContact O-OG1 2.88Å; T261-T265 VanDerWaalsContact O-OG1 3.08Å
262L95.4Very high93.6Very high105 Ų10554.3 Ų54.355%0.5528%0.275SS..Hα-helixtrans-63-37173.7-72.3173.6000112V258 T259 T265 S266V258-L262 HydrophobicContact CG1-CD1 3.92Å; V258-L262 HydrophobicContact CG1-CG 4.27Å; V258-L262 WeakPolarHBondContact O-CB 3.43Å; V258-L262 VanDerWaalsContact O-CG 3.23Å; V258-L262 WeakPolarHBondContact O-CG 3.3Å; V258-L262 PolarHBondContact O-N 3.19Å; T259-L262 PolarHBondContact O-N 3.32Å; L262-T265 VanDerWaalsContact CA-OG1 3.28Å; L262-T265 WeakPolarHBondContact CA-OG1 3.44Å; L262-T265 PolarHBondContact O-OG1 3.34Å; L262-S266 WeakPolarHBondContact O-CB 3.25Å; L262-S266 PolarHBondContact O-N 2.87Å
263L95.7Very high93.4Very high108 Ų10852.3 Ų52.357%0.56527%0.266SS*.Hα-helixtrans-64.3-47.7174.2-169.4153.2000111.2T259 K260 T261 S266 L267T259-L263 PolarHBondContact O-N 3.31Å; K260-L263 WeakPolarHBondContact O-CB 3.07Å; K260-L263 PolarHBondContact O-N 3Å; T261-L263 VanDerWaalsContact C-N 3.3Å; T261-L263 PolarHBondContact O-N 2.97Å; L263-S266 PolarHBondContact O-N 3.3Å; L263-S266 PolarHBondContact O-OG 3.38Å; L263-L267 PolarHBondContact O-N 3.12Å
264L95.5Very high93.4Very high20 Ų2054.8 Ų54.811%0.10529%0.287CS..Hα-helixtrans-65-40.1177.9-70.8-172.3000113.1F184 N233 T236 T237 L241 K260 T261 S266 L267 F268F184-L264 HydrophobicContact CE2-CD2 4.32Å; N233-L264 HydrophobicContact CB-CB 4.3Å; T236-L264 WeakPolarHBondContact OG1-CD1 3.41Å; T237-L264 HydrophobicContact CG2-CD1 3.55Å; T237-L264 HydrophobicContact CG2-CG 4.27Å; L241-L264 HydrophobicContact CD1-CD1 4.26Å; L241-L264 HydrophobicContact CD1-CD2 4.45Å; K260-L264 PolarHBondContact O-N 3.37Å; T261-L264 PolarHBondContact O-N 2.78Å; L264-S266 VanDerWaalsContact C-N 3.31Å; L264-S266 PolarHBondContact O-N 3.36Å; L264-L267 WeakPolarHBondContact O-CA 3.5Å; L264-L267 WeakPolarHBondContact O-CB 3.4Å; L264-L267 PolarHBondContact O-N 2.84Å; L264-F268 PolarHBondContact O-N 3.48Å
265T94.6Very high93.2Very high10 Ų1059.5 Ų59.56%0.06130%0.3CS..Hα-helixtrans-63.2-37.9173.654.30000111.4L18 N233 T261 L262 L267 F268 L269L18-T265 HydrophobicContact CD1-CG2 4.36Å; N233-T265 HydrophobicContact CB-CG2 3.67Å; T261-T265 WeakPolarHBondContact O-CG2 3.38Å; T261-T265 PolarHBondContact O-N 3.26Å; T261-T265 PolarHBondContact O-OG1 2.88Å; T261-T265 VanDerWaalsContact O-OG1 3.08Å; L262-T265 VanDerWaalsContact CA-OG1 3.28Å; L262-T265 WeakPolarHBondContact CA-OG1 3.44Å; L262-T265 PolarHBondContact O-OG1 3.34Å; T265-L267 VanDerWaalsContact C-N 3.26Å; T265-L267 PolarHBondContact O-N 3.48Å; T265-F268 WeakPolarHBondContact O-CB 3.44Å; T265-F268 PolarHBondContact O-N 3.11Å; T265-L269 WeakPolarHBondContact O-CG 3.38Å; T265-L269 PolarHBondContact O-N 3.16Å; T265-L269 VanDerWaalsContact O-N 3.1Å
266S93Very high93Very high51 Ų5161.2 Ų61.236%0.35731%0.313SS..Hα-helixtrans-63.9-32.7172.479.30000112.6L262 L263 L264 L269 W270L262-S266 WeakPolarHBondContact O-CB 3.25Å; L262-S266 PolarHBondContact O-N 2.87Å; L263-S266 PolarHBondContact O-N 3.3Å; L263-S266 PolarHBondContact O-OG 3.38Å; L264-S266 VanDerWaalsContact C-N 3.31Å; L264-S266 PolarHBondContact O-N 3.36Å; S266-L269 PolarHBondContact O-N 2.81Å; S266-W270 PolarHBondContact O-N 2.98Å
267L94.1Very high92.7Very high53 Ų5359.2 Ų59.228%0.27730%0.304SS..Hα-helixtrans-70.3-38.6175.2-163.8147.1000111.7F184 L263 L264 T265 L269 W270 I271F184-L267 HydrophobicContact CE1-CD2 3.47Å; F184-L267 VanDerWaalsContact CE1-CD2 3.47Å; F184-L267 HydrophobicContact CE2-CD2 4.04Å; F184-L267 HydrophobicContact CZ-CD2 3.14Å; F184-L267 HydrophobicContact CZ-CG 4.44Å; L263-L267 PolarHBondContact O-N 3.12Å; L264-L267 WeakPolarHBondContact O-CA 3.5Å; L264-L267 WeakPolarHBondContact O-CB 3.4Å; L264-L267 PolarHBondContact O-N 2.84Å; T265-L267 VanDerWaalsContact C-N 3.26Å; T265-L267 PolarHBondContact O-N 3.48Å; L267-L269 VanDerWaalsContact C-N 3.32Å; L267-L269 PolarHBondContact O-N 3.16Å; L267-W270 HydrophobicContact CG-CE3 4.38Å; L267-W270 PolarHBondContact O-N 2.9Å; L267-I271 HydrophobicContact CD2-CD1 3.49Å; L267-I271 VanDerWaalsContact CD2-CD1 3.49Å; L267-I271 HydrophobicContact CD2-CG1 4.16Å; L267-I271 WeakPolarHBondContact O-CG1 3.18Å; L267-I271 PolarHBondContact O-N 3.04Å
268F92.8Very high92.3Very high9 Ų962.8 Ų62.84%0.03932%0.32CS..Hα-helixtrans-55-47.9168.7-95.347.8000111.3F184 L188 I229 N233 L264 T265 W270 I271 R272F184-F268 HydrophobicContact CD2-CE1 4.05Å; F184-F268 HydrophobicContact CE1-CD1 4.44Å; F184-F268 HydrophobicContact CE1-CE1 4.29Å; F184-F268 AromaticContact CE2-CD1 3.61Å; F184-F268 HydrophobicContact CE2-CD1 3.61Å; F184-F268 AromaticContact CE2-CE1 3.3Å; F184-F268 HydrophobicContact CE2-CE1 3.3Å; F184-F268 AromaticContact CZ-CD1 3.4Å; F184-F268 HydrophobicContact CZ-CD1 3.4Å; F184-F268 AromaticContact CZ-CE1 3.41Å; F184-F268 HydrophobicContact CZ-CE1 3.41Å; F184-F268 VanDerWaalsContact CZ-CE1 3.41Å; L188-F268 HydrophobicContact CD2-CB 4.43Å; L188-F268 HydrophobicContact CD2-CD1 3.86Å; L188-F268 HydrophobicContact CD2-CD2 3.68Å; L188-F268 HydrophobicContact CD2-CE1 3.91Å; L188-F268 HydrophobicContact CD2-CE2 3.77Å; L188-F268 HydrophobicContact CD2-CG 3.71Å; L188-F268 HydrophobicContact CD2-CZ 3.87Å; L188-F268 HydrophobicContact CG-CD1 4.27Å; L188-F268 HydrophobicContact CG-CE1 3.87Å; L188-F268 HydrophobicContact CG-CE2 4.19Å; L188-F268 HydrophobicContact CG-CZ 3.82Å; I229-F268 HydrophobicContact CG2-CD2 3.85Å; I229-F268 HydrophobicContact CG2-CE2 4.36Å; N233-F268 WeakPolarHBondContact OD1-CD1 3.43Å; N233-F268 WeakPolarHBondContact OD1-CE1 3.4Å; L264-F268 PolarHBondContact O-N 3.48Å; T265-F268 WeakPolarHBondContact O-CB 3.44Å; T265-F268 PolarHBondContact O-N 3.11Å; F268-W270 VanDerWaalsContact C-N 3.32Å; F268-W270 PolarHBondContact O-N 3.42Å; F268-I271 PolarHBondContact O-N 3.33Å; F268-R272 PolarHBondContact O-N 2.92Å
269L92.4Very high91.9Very high11 Ų1166.2 Ų66.26%0.05833%0.326CS..Hα-helixtrans-65.7-36.2179.3-63.7176.1000112.2E22 I25 T265 S266 L267 T273E22-L269 HydrophobicContact CB-CD1 4.29Å; E22-L269 HydrophobicContact CB-CD2 3.67Å; E22-L269 HydrophobicContact CG-CD2 3.69Å; E22-L269 WeakPolarHBondContact OE2-CD2 3.37Å; I25-L269 HydrophobicContact CD1-CD1 3.65Å; I25-L269 HydrophobicContact CG2-CB 4.25Å; T265-L269 WeakPolarHBondContact O-CG 3.38Å; T265-L269 PolarHBondContact O-N 3.16Å; T265-L269 VanDerWaalsContact O-N 3.1Å; S266-L269 PolarHBondContact O-N 2.81Å; L267-L269 VanDerWaalsContact C-N 3.32Å; L267-L269 PolarHBondContact O-N 3.16Å; L269-T273 PolarHBondContact O-N 3.35Å
270W92.9Very high91.4Very high142 Ų14265 Ų6554%0.53831%0.312SS..Hα-helixtrans-66.6-45.8175.8179.941.8000112.1M29 S266 L267 F268 R272 T273 A274M29-W270 HydrophobicContact CE-CB 3.81Å; M29-W270 HydrophobicContact CE-CG 3.82Å; S266-W270 PolarHBondContact O-N 2.98Å; L267-W270 HydrophobicContact CG-CE3 4.38Å; L267-W270 PolarHBondContact O-N 2.9Å; F268-W270 VanDerWaalsContact C-N 3.32Å; F268-W270 PolarHBondContact O-N 3.42Å; W270-R272 PolarHBondContact O-N 2.89Å; W270-T273 PolarHBondContact O-N 3.09Å; W270-T273 PolarHBondContact O-OG1 2.91Å; W270-A274 PolarHBondContact O-N 3.15Å; W270-A274 VanDerWaalsContact O-N 3.15Å
271I92.4Very high91Very high19 Ų1967.3 Ų67.310%0.09733%0.327CS..Hα-helixtrans-56.6-40.8178.2-75.3174.6000111.3F184 L188 L267 F268 T273 A274 Y275F184-I271 HydrophobicContact CE1-CD1 3.45Å; F184-I271 VanDerWaalsContact CE1-CD1 3.45Å; F184-I271 HydrophobicContact CZ-CD1 4.03Å; L188-I271 HydrophobicContact CD1-CD1 3.81Å; L188-I271 HydrophobicContact CD1-CG2 4.2Å; L188-I271 HydrophobicContact CD2-CG2 4.48Å; L267-I271 HydrophobicContact CD2-CD1 3.49Å; L267-I271 VanDerWaalsContact CD2-CD1 3.49Å; L267-I271 HydrophobicContact CD2-CG1 4.16Å; L267-I271 WeakPolarHBondContact O-CG1 3.18Å; L267-I271 PolarHBondContact O-N 3.04Å; F268-I271 PolarHBondContact O-N 3.33Å; I271-T273 PolarHBondContact O-N 3.21Å; I271-A274 PolarHBondContact O-N 3.43Å; I271-A274 VanDerWaalsContact O-N 3.12Å; I271-Y275 HydrophobicContact CB-CD2 4.38Å; I271-Y275 HydrophobicContact CG1-CE2 4.31Å; I271-Y275 HydrophobicContact CG2-CD2 3.84Å; I271-Y275 HydrophobicContact CG2-CE2 4.35Å; I271-Y275 WeakPolarHBondContact O-CD2 3.46Å; I271-Y275 PolarHBondContact O-N 3Å; I271-Y275 VanDerWaalsContact O-N 3.17Å
272R89Confident90.8Very high78 Ų7871.5 Ų71.529%0.29435%0.346SS..Hα-helixtrans-56.6-35.8174.1166.8159.6-169.5-172.7-1.7113.6E22 L26 T194 F268 W270E22-R272 VanDerWaalsContact CD-NH1 3.28Å; E22-R272 IonicContact OE1-CZ 2.78Å; E22-R272 IonicContact OE1-NH1 2.84Å; E22-R272 PolarHBondContact OE1-NH1 3.16Å; E22-R272 IonicContact OE1-NH2 2.73Å; E22-R272 IonicContact OE2-NH1 2.85Å; L26-R272 HydrophobicContact CD2-CG 4.1Å; T194-R272 WeakPolarHBondContact OG1-CA 3.45Å; T194-R272 WeakPolarHBondContact OG1-CB 3.41Å; T194-R272 VanDerWaalsContact OG1-CD 3.3Å; T194-R272 WeakPolarHBondContact OG1-CD 3.24Å; T194-R272 WeakPolarHBondContact OG1-CG 3.4Å; F268-R272 PolarHBondContact O-N 2.92Å; W270-R272 PolarHBondContact O-N 2.89Å
273T88.2Confident90.5Very high44 Ų4466.5 Ų66.527%0.2732%0.32SS..Hα-helixtrans-79.1-26.3177.761.80000113.9L26 M29 L269 W270 I271L26-T273 HydrophobicContact CD2-CG2 3.29Å; L26-T273 HydrophobicContact CG-CG2 4.22Å; M29-T273 HydrophobicContact CB-CG2 3.94Å; M29-T273 HydrophobicContact CG-CG2 4.36Å; M29-T273 HydrophobicContact SD-CG2 3.5Å; M29-T273 VanDerWaalsContact SD-CG2 3.5Å; M29-T273 PolarHBondContact SD-OG1 3.21Å; L269-T273 PolarHBondContact O-N 3.35Å; W270-T273 PolarHBondContact O-N 3.09Å; W270-T273 PolarHBondContact O-OG1 2.91Å; I271-T273 PolarHBondContact O-N 3.21Å
274A90Very high90.2Very high54 Ų5463.5 Ų63.545%0.44630%0.303SS..Hα-helixtrans-90.5-34.4-168.400000113.2W270 I271W270-A274 PolarHBondContact O-N 3.15Å; W270-A274 VanDerWaalsContact O-N 3.15Å; I271-A274 PolarHBondContact O-N 3.43Å; I271-A274 VanDerWaalsContact O-N 3.12Å
275Y90.2Very high90.1Very high145 Ų14566.5 Ų66.557%0.56932%0.316SS*.  trans-110.4143.5-168.5-65.3-73.7000113.9I271I271-Y275 HydrophobicContact CB-CD2 4.38Å; I271-Y275 HydrophobicContact CG1-CE2 4.31Å; I271-Y275 HydrophobicContact CG2-CD2 3.84Å; I271-Y275 HydrophobicContact CG2-CE2 4.35Å; I271-Y275 WeakPolarHBondContact O-CD2 3.46Å; I271-Y275 PolarHBondContact O-N 3Å; I271-Y275 VanDerWaalsContact O-N 3.17Å
276P88Confident90Very high106 Ų10667.7 Ų67.769%0.68832%0.322SS*.PPolyproline II helixtrans-72161.8169.432.4-34.8000111.2P195P195-P276 WeakPolarHBondContact CB-O 3.45Å
277R87.1Confident90Very high91 Ų9165.3 Ų65.334%0.34331%0.306SS..PPolyproline II helixtrans-66.4141.2174.9-69.7-179168.5154.3-4.6111.2T194 P195 D197T194-R277 HydrophobicContact CG2-CG 4.3Å; P195-R277 WeakPolarHBondContact O-CA 3.49Å; D197-R277 IonicContact OD2-CZ 2.81Å; D197-R277 IonicContact OD2-NE 3.52Å; D197-R277 IonicContact OD2-NH2 3.93Å; D197-R277 PolarHBondContact OD2-NH2 2.73Å
278F85.8Confident90Very high76 Ų7668.9 Ų68.933%0.33332%0.316SS..PPolyproline II helixtrans-77154.3169-81.4-79.8000111.2P195 F196 L198 Q282P195-F278 HydrophobicContact CB-CD2 3.67Å; P195-F278 HydrophobicContact CB-CE2 3.91Å; P195-F278 HydrophobicContact CG-CD2 3.88Å; P195-F278 HydrophobicContact CG-CE2 3.79Å; P195-F278 PolarHBondContact O-N 3.43Å; F196-F278 HydrophobicContact CD1-CB 4.45Å; F196-F278 AromaticContact CD1-CD2 3.79Å; F196-F278 HydrophobicContact CD1-CD2 3.79Å; F196-F278 HydrophobicContact CD1-CG 4.38Å; F196-F278 AromaticContact CE1-CD2 3.39Å; F196-F278 HydrophobicContact CE1-CD2 3.39Å; F196-F278 AromaticContact CE1-CE2 3.73Å; F196-F278 HydrophobicContact CE1-CE2 3.73Å; F196-F278 HydrophobicContact CE1-CG 4.1Å; F196-F278 HydrophobicContact CZ-CD2 4.11Å; F196-F278 HydrophobicContact CZ-CE2 4.03Å; L198-F278 WeakPolarHBondContact CD2-O 3.33Å; F278-Q282 HydrophobicContact CD1-CB 4.09Å
279R86.3Confident90Very high137 Ų13774.8 Ų74.852%0.51734%0.341SS..PPolyproline II helixtrans-79.4149.5163.3-164.4173.978.9-1543.7110.1D281 Q282 L283R279-D281 VanDerWaalsContact C-N 3.31Å; R279-D281 IonicContact CZ-OD2 3.58Å; R279-D281 IonicContact NE-OD2 3.8Å; R279-D281 PolarHBondContact NE-OD2 3.42Å; R279-D281 IonicContact NH2-OD2 3.35Å; R279-D281 PolarHBondContact NH2-OD2 3.43Å; R279-D281 PolarHBondContact O-N 3.15Å; R279-Q282 HydrophobicContact CB-CG 4.19Å; R279-Q282 WeakPolarHBondContact O-CB 3.39Å; R279-Q282 PolarHBondContact O-N 2.91Å; R279-L283 PolarHBondContact O-N 2.99Å
280Y85.3Confident90.1Very high57 Ų5778.2 Ų78.222%0.22436%0.359CS..Hα-helixtrans-49.8-46.5176.7-179.9-95.2000113.5R132 A135 L198 Q282 L283 M284R132-Y280 HydrophobicContact CB-CD2 4.4Å; R132-Y280 HydrophobicContact CB-CE2 4.33Å; R132-Y280 HydrophobicContact CG-CD2 4.3Å; R132-Y280 HydrophobicContact CG-CE2 4.34Å; A135-Y280 HydrophobicContact CB-CE2 4.37Å; A135-Y280 WeakPolarHBondContact CB-OH 3.21Å; L198-Y280 HydrophobicContact CD1-CD2 3.78Å; L198-Y280 HydrophobicContact CD1-CG 4.32Å; Y280-Q282 VanDerWaalsContact C-N 3.31Å; Y280-Q282 PolarHBondContact O-N 3.33Å; Y280-L283 WeakPolarHBondContact O-CB 3.47Å; Y280-L283 PolarHBondContact O-N 3.39Å; Y280-M284 HydrophobicContact CD1-CG 4.31Å; Y280-M284 HydrophobicContact CE1-CG 3.87Å; Y280-M284 HydrophobicContact CE2-CG 4.32Å; Y280-M284 HydrophobicContact CE2-SD 4.48Å; Y280-M284 WeakPolarHBondContact O-CG 3.31Å; Y280-M284 PolarHBondContact O-N 3.37Å
281D87.4Confident90.1Very high89 Ų8972.2 Ų72.248%0.47634%0.337SS..Hα-helixtrans-65.1-35.8-180-42.5-34.8000112.9R279 L283 M284 H285R279-D281 VanDerWaalsContact C-N 3.31Å; R279-D281 IonicContact CZ-OD2 3.58Å; R279-D281 IonicContact NE-OD2 3.8Å; R279-D281 PolarHBondContact NE-OD2 3.42Å; R279-D281 IonicContact NH2-OD2 3.35Å; R279-D281 PolarHBondContact NH2-OD2 3.43Å; R279-D281 PolarHBondContact O-N 3.15Å; D281-L283 VanDerWaalsContact C-N 3.33Å; D281-M284 PolarHBondContact O-N 2.91Å; D281-H285 WeakPolarHBondContact O-CB 3.42Å; D281-H285 PolarHBondContact O-N 2.93Å
282Q90.4Very high90.2Very high97 Ų9773.1 Ų73.145%0.45334%0.342SS..Hα-helixtrans-68.8-38.5179.7-67.2173.7-22.200110.4F278 R279 Y280 H285 L286F278-Q282 HydrophobicContact CD1-CB 4.09Å; R279-Q282 HydrophobicContact CB-CG 4.19Å; R279-Q282 WeakPolarHBondContact O-CB 3.39Å; R279-Q282 PolarHBondContact O-N 2.91Å; Y280-Q282 VanDerWaalsContact C-N 3.31Å; Y280-Q282 PolarHBondContact O-N 3.33Å; Q282-H285 PolarHBondContact O-N 2.9Å; Q282-L286 WeakPolarHBondContact O-CB 3.44Å; Q282-L286 PolarHBondContact O-N 3.17Å
283L88.8Confident90.6Very high0 Ų072.6 Ų72.60%035%0.349CS..Hα-helixtrans-60.3-50.8173.5-174.9160.3000110.6Q136 Y140 F196 L198 R279 Y280 D281 H285 L286 L287Q136-L283 HydrophobicContact CG-CD1 4.11Å; Q136-L283 HydrophobicContact CG-CD2 4.35Å; Y140-L283 HydrophobicContact CE2-CD1 4.07Å; Y140-L283 HydrophobicContact CE2-CD2 3.59Å; Y140-L283 HydrophobicContact CE2-CG 4.17Å; Y140-L283 VanDerWaalsContact OH-CD1 3.29Å; Y140-L283 WeakPolarHBondContact OH-CD1 3.42Å; Y140-L283 WeakPolarHBondContact OH-CD2 3.47Å; Y140-L283 WeakPolarHBondContact OH-CG 3.39Å; F196-L283 HydrophobicContact CB-CD1 3.97Å; F196-L283 HydrophobicContact CD1-CD1 3.64Å; F196-L283 HydrophobicContact CD1-CG 4.05Å; F196-L283 HydrophobicContact CG-CD1 4.2Å; L198-L283 HydrophobicContact CD1-CB 4.25Å; L198-L283 HydrophobicContact CD1-CD1 3.5Å; L198-L283 HydrophobicContact CD1-CG 4.41Å; L198-L283 HydrophobicContact CG-CD1 4.23Å; R279-L283 PolarHBondContact O-N 2.99Å; Y280-L283 WeakPolarHBondContact O-CB 3.47Å; Y280-L283 PolarHBondContact O-N 3.39Å; D281-L283 VanDerWaalsContact C-N 3.33Å; L283-H285 VanDerWaalsContact C-N 3.28Å; L283-H285 PolarHBondContact O-N 3.5Å; L283-L286 WeakPolarHBondContact O-CB 3.39Å; L283-L286 PolarHBondContact O-N 3.49Å; L283-L286 VanDerWaalsContact O-N 3.16Å; L283-L287 HydrophobicContact CD2-CD1 3.95Å; L283-L287 PolarHBondContact O-N 3.08Å; L283-L287 VanDerWaalsContact O-N 3.11Å
284M90.8Very high91Very high44 Ų4474.6 Ų74.622%0.21736%0.357CS..Hα-helixtrans-62.3-38.1178.3-65.1-60.4-81.800111.6Y280 D281 L287 W288Y280-M284 HydrophobicContact CD1-CG 4.31Å; Y280-M284 HydrophobicContact CE1-CG 3.87Å; Y280-M284 HydrophobicContact CE2-CG 4.32Å; Y280-M284 HydrophobicContact CE2-SD 4.48Å; Y280-M284 WeakPolarHBondContact O-CG 3.31Å; Y280-M284 PolarHBondContact O-N 3.37Å; D281-M284 PolarHBondContact O-N 2.91Å; M284-L287 PolarHBondContact O-N 3.46Å; M284-W288 WeakPolarHBondContact O-CB 3.31Å; M284-W288 VanDerWaalsContact O-CD1 3.26Å; M284-W288 PolarHBondContact O-N 3.27Å
285H93Very high91.3Very high83 Ų8372 Ų7238%0.38434%0.336SS..Hα-helixtrans-64.4-41.7174.7-169.3-63.5000112.5D281 Q282 L283 L287 K289 N290D281-H285 WeakPolarHBondContact O-CB 3.42Å; D281-H285 PolarHBondContact O-N 2.93Å; Q282-H285 PolarHBondContact O-N 2.9Å; L283-H285 VanDerWaalsContact C-N 3.28Å; L283-H285 PolarHBondContact O-N 3.5Å; H285-L287 VanDerWaalsContact C-N 3.33Å; H285-L287 PolarHBondContact O-N 3.24Å; H285-K289 PolarHBondContact CD2-NZ 3.34Å; H285-K289 WeakPolarHBondContact NE2-CD 3.23Å; H285-K289 PolarHBondContact NE2-NZ 3.26Å; H285-K289 WeakPolarHBondContact O-CB 3.05Å; H285-K289 PolarHBondContact O-N 2.81Å; H285-N290 PolarHBondContact O-N 3.46Å
286L93.1Very high91.5Very high36 Ų3668.9 Ų68.919%0.18833%0.328CS..Iπ-helixtrans-57.2-49.6177.3-179.474.3000110.2I185 F196 Q282 L283 N290 F291I185-L286 HydrophobicContact CG2-CD2 4.37Å; F196-L286 HydrophobicContact CE1-CD2 4Å; F196-L286 HydrophobicContact CZ-CD2 4.02Å; Q282-L286 WeakPolarHBondContact O-CB 3.44Å; Q282-L286 PolarHBondContact O-N 3.17Å; L283-L286 WeakPolarHBondContact O-CB 3.39Å; L283-L286 PolarHBondContact O-N 3.49Å; L283-L286 VanDerWaalsContact O-N 3.16Å; L286-N290 WeakPolarHBondContact O-CA 3.37Å; L286-N290 VanDerWaalsContact O-CB 3.23Å; L286-N290 WeakPolarHBondContact O-CB 3.33Å; L286-N290 PolarHBondContact O-N 2.88Å; L286-N290 VanDerWaalsContact O-N 3.16Å; L286-F291 HydrophobicContact CD1-CE1 4.07Å; L286-F291 HydrophobicContact CD1-CZ 4.26Å; L286-F291 HydrophobicContact CD2-CE2 4.24Å; L286-F291 HydrophobicContact CD2-CZ 4.11Å; L286-F291 HydrophobicContact CG-CE1 4.25Å; L286-F291 HydrophobicContact CG-CE2 4.33Å; L286-F291 HydrophobicContact CG-CZ 4.11Å; L286-F291 PolarHBondContact O-N 3.38Å
287L91.6Very high92Very high1 Ų166.7 Ų66.71%0.00532%0.319CS..Iπ-helixtrans-68.8-55.7-178.2-79.1175.3000113.4S139 Y140 T143 L283 M284 H285 F291 L292S139-L287 WeakPolarHBondContact OG-CD1 3.05Å; Y140-L287 HydrophobicContact CD1-CD1 3.55Å; Y140-L287 HydrophobicContact CD1-CD2 3.17Å; Y140-L287 HydrophobicContact CD1-CG 3.75Å; Y140-L287 HydrophobicContact CD2-CD1 3.79Å; Y140-L287 HydrophobicContact CE1-CD1 3.39Å; Y140-L287 HydrophobicContact CE1-CD2 3.13Å; Y140-L287 HydrophobicContact CE1-CG 3.36Å; Y140-L287 HydrophobicContact CE2-CD1 3.63Å; Y140-L287 HydrophobicContact CE2-CG 4.44Å; Y140-L287 HydrophobicContact CG-CD1 3.71Å; Y140-L287 HydrophobicContact CG-CD2 4.09Å; Y140-L287 HydrophobicContact CG-CG 4.41Å; T143-L287 HydrophobicContact CG2-CD2 4.08Å; L283-L287 HydrophobicContact CD2-CD1 3.95Å; L283-L287 PolarHBondContact O-N 3.08Å; L283-L287 VanDerWaalsContact O-N 3.11Å; M284-L287 PolarHBondContact O-N 3.46Å; H285-L287 VanDerWaalsContact C-N 3.33Å; H285-L287 PolarHBondContact O-N 3.24Å; L287-F291 HydrophobicContact CD2-CD2 3.76Å; L287-F291 PolarHBondContact O-N 3.36Å; L287-L292 WeakPolarHBondContact O-CB 3.42Å; L287-L292 PolarHBondContact O-N 2.66Å
288W94.1Very high92.4Very high128 Ų12863.5 Ų63.549%0.48531%0.309SS..Iπ-helixtrans-76.4-34.4-169.1-75.192.2000112.8M284M284-W288 WeakPolarHBondContact O-CB 3.31Å; M284-W288 VanDerWaalsContact O-CD1 3.26Å; M284-W288 PolarHBondContact O-N 3.27Å
289K93.4Very high92.9Very high133 Ų13361.3 Ų61.358%0.57830%0.301SS*.Iπ-helixtrans-102.4-25.7-175.7-53.5-156.7-155.6161.10114.1H285 P293H285-K289 PolarHBondContact CD2-NZ 3.34Å; H285-K289 WeakPolarHBondContact NE2-CD 3.23Å; H285-K289 PolarHBondContact NE2-NZ 3.26Å; H285-K289 WeakPolarHBondContact O-CB 3.05Å; H285-K289 PolarHBondContact O-N 2.81Å; K289-P293 WeakPolarHBondContact O-CG 3.45Å
290N94.4Very high93.4Very high82 Ų8261.1 Ų61.144%0.43931%0.307SS..Iπ-helixtrans-102.9-58.1179.3-53.5-10.9000111.1H285 L286 L294H285-N290 PolarHBondContact O-N 3.46Å; L286-N290 WeakPolarHBondContact O-CA 3.37Å; L286-N290 VanDerWaalsContact O-CB 3.23Å; L286-N290 WeakPolarHBondContact O-CB 3.33Å; L286-N290 PolarHBondContact O-N 2.88Å; L286-N290 VanDerWaalsContact O-N 3.16Å; N290-L294 WeakPolarHBondContact O-CB 3.38Å; N290-L294 PolarHBondContact O-N 2.89Å
291F93.9Very high93.9Very high17 Ų1765.3 Ų65.38%0.07532%0.323CS..Iπ-helixtrans-71.2-48-174.1-71.7-1.4000112.6T143 M182 I185 L286 L287 L294 T295T143-F291 HydrophobicContact CG2-CB 4.1Å; M182-F291 HydrophobicContact CG-CD1 4.16Å; M182-F291 HydrophobicContact CG-CE1 4.16Å; M182-F291 HydrophobicContact SD-CD1 4.14Å; M182-F291 HydrophobicContact SD-CG 4.39Å; I185-F291 HydrophobicContact CB-CE2 3.94Å; I185-F291 HydrophobicContact CB-CZ 3.9Å; I185-F291 HydrophobicContact CD1-CZ 3.74Å; I185-F291 HydrophobicContact CG1-CZ 4.43Å; I185-F291 HydrophobicContact CG2-CE2 3.68Å; I185-F291 HydrophobicContact CG2-CZ 3.7Å; L286-F291 HydrophobicContact CD1-CE1 4.07Å; L286-F291 HydrophobicContact CD1-CZ 4.26Å; L286-F291 HydrophobicContact CD2-CE2 4.24Å; L286-F291 HydrophobicContact CD2-CZ 4.11Å; L286-F291 HydrophobicContact CG-CE1 4.25Å; L286-F291 HydrophobicContact CG-CE2 4.33Å; L286-F291 HydrophobicContact CG-CZ 4.11Å; L286-F291 PolarHBondContact O-N 3.38Å; L287-F291 HydrophobicContact CD2-CD2 3.76Å; L287-F291 PolarHBondContact O-N 3.36Å; F291-L294 PolarHBondContact O-N 3.31Å; F291-L294 VanDerWaalsContact O-N 3.17Å; F291-T295 WeakPolarHBondContact O-CB 3.44Å; F291-T295 VanDerWaalsContact O-CG2 3.25Å; F291-T295 WeakPolarHBondContact O-CG2 3.44Å; F291-T295 PolarHBondContact O-N 3.44Å; F291-T295 PolarHBondContact O-OG1 3.49Å
292L94.3Very high94.2Very high38 Ų3861.3 Ų61.320%0.19930%0.301CS..Hα-helixtrans-58.5-48.6-175.3-173.6117000112.8V142 T143 L287 L294 T295 L296V142-L292 HydrophobicContact CG1-CD1 3.71Å; T143-L292 HydrophobicContact CG2-CB 4.42Å; L287-L292 WeakPolarHBondContact O-CB 3.42Å; L287-L292 PolarHBondContact O-N 2.66Å; L292-L294 VanDerWaalsContact C-N 3.34Å; L292-L294 PolarHBondContact O-N 3.48Å; L292-T295 WeakPolarHBondContact CA-OG1 3.36Å; L292-T295 PolarHBondContact O-N 2.77Å; L292-T295 PolarHBondContact O-OG1 2.99Å; L292-L296 HydrophobicContact CD2-CD1 4.11Å; L292-L296 HydrophobicContact CG-CD1 4.24Å; L292-L296 WeakPolarHBondContact O-CG 3.45Å; L292-L296 PolarHBondContact O-N 3.15Å
293P96.3Very high94.4Very high67 Ų6759.9 Ų59.944%0.43530%0.299SS..Hα-helixtrans-62.7-39.1176.4-24.136.7000113.2K289 A297K289-P293 WeakPolarHBondContact O-CG 3.45Å; P293-A297 WeakPolarHBondContact O-CB 3.46Å; P293-A297 PolarHBondContact O-N 2.85Å
294L96.5Very high94.8Very high86 Ų8662.4 Ų62.445%0.4532%0.316SS..Hα-helixtrans-69.5-42.5180-17561.2000112M182 N290 F291 L292 L296 A297 L298M182-L294 HydrophobicContact CE-CD2 4.21Å; M182-L294 HydrophobicContact CE-CG 4.14Å; M182-L294 HydrophobicContact SD-CB 4.18Å; M182-L294 HydrophobicContact SD-CD2 3.63Å; M182-L294 HydrophobicContact SD-CG 3.96Å; N290-L294 WeakPolarHBondContact O-CB 3.38Å; N290-L294 PolarHBondContact O-N 2.89Å; F291-L294 PolarHBondContact O-N 3.31Å; F291-L294 VanDerWaalsContact O-N 3.17Å; L292-L294 VanDerWaalsContact C-N 3.34Å; L292-L294 PolarHBondContact O-N 3.48Å; L294-L296 VanDerWaalsContact C-N 3.34Å; L294-L296 PolarHBondContact O-N 3.06Å; L294-A297 PolarHBondContact O-N 2.89Å; L294-L298 HydrophobicContact CG-CD1 4.21Å; L294-L298 WeakPolarHBondContact O-CB 3.25Å; L294-L298 WeakPolarHBondContact O-CG 3.46Å; L294-L298 PolarHBondContact O-N 3.02Å
295T96Very high94.9Very high0 Ų062.2 Ų62.20%032%0.316CS..Hα-helixtrans-63.6-38176.356.80000111.8I147 M182 F291 L292 L298 L299I147-T295 HydrophobicContact CD1-CG2 3.87Å; I147-T295 HydrophobicContact CG1-CG2 3.55Å; M182-T295 HydrophobicContact CE-CG2 3.6Å; M182-T295 HydrophobicContact SD-CG2 3.76Å; F291-T295 WeakPolarHBondContact O-CB 3.44Å; F291-T295 VanDerWaalsContact O-CG2 3.25Å; F291-T295 WeakPolarHBondContact O-CG2 3.44Å; F291-T295 PolarHBondContact O-N 3.44Å; F291-T295 PolarHBondContact O-OG1 3.49Å; L292-T295 WeakPolarHBondContact CA-OG1 3.36Å; L292-T295 PolarHBondContact O-N 2.77Å; L292-T295 PolarHBondContact O-OG1 2.99Å; T295-L298 PolarHBondContact O-N 3.39Å; T295-L299 WeakPolarHBondContact O-CB 3.25Å; T295-L299 PolarHBondContact O-N 3.17Å
296L96Very high94.9Very high78 Ų7858.8 Ų58.841%0.40830%0.301SS..Hα-helixtrans-67.3-43.2173.8-72.3170.2000112.2I146 L292 L294 L298 L299 M300I146-L296 HydrophobicContact CD1-CD2 4.16Å; L292-L296 HydrophobicContact CD2-CD1 4.11Å; L292-L296 HydrophobicContact CG-CD1 4.24Å; L292-L296 WeakPolarHBondContact O-CG 3.45Å; L292-L296 PolarHBondContact O-N 3.15Å; L294-L296 VanDerWaalsContact C-N 3.34Å; L294-L296 PolarHBondContact O-N 3.06Å; L296-L298 VanDerWaalsContact C-N 3.31Å; L296-L298 PolarHBondContact O-N 3.09Å; L296-L299 WeakPolarHBondContact O-CB 3.4Å; L296-L299 PolarHBondContact O-N 3.33Å; L296-M300 WeakPolarHBondContact O-CG 3.36Å; L296-M300 PolarHBondContact O-N 3.28Å; L296-M300 VanDerWaalsContact O-N 3.09Å
297A96.8Very high95Very high60 Ų6062.3 Ų62.350%0.49632%0.318SS..Hα-helixtrans-60.7-42.9175.100000111.4P293 L294 M300 W301P293-A297 WeakPolarHBondContact O-CB 3.46Å; P293-A297 PolarHBondContact O-N 2.85Å; L294-A297 PolarHBondContact O-N 2.89Å; A297-M300 PolarHBondContact O-N 3.19Å; A297-W301 PolarHBondContact O-N 3.18Å; A297-W301 VanDerWaalsContact O-N 3.11Å
298L95.9Very high95.1Very high24 Ų2467.5 Ų67.513%0.12635%0.35CS..Hα-helixtrans-67.6-38.8175.6-71.1172.5000111.9P178 L179 M182 L294 T295 L296 M300 W301 Y302P178-L298 HydrophobicContact CB-CD1 3.95Å; L179-L298 HydrophobicContact CD2-CB 3.96Å; L179-L298 HydrophobicContact CD2-CD1 3.66Å; L179-L298 HydrophobicContact CD2-CG 4.47Å; L179-L298 HydrophobicContact CG-CD1 4.07Å; M182-L298 HydrophobicContact CE-CD1 3.42Å; M182-L298 VanDerWaalsContact CE-CD1 3.42Å; L294-L298 HydrophobicContact CG-CD1 4.21Å; L294-L298 WeakPolarHBondContact O-CB 3.25Å; L294-L298 WeakPolarHBondContact O-CG 3.46Å; L294-L298 PolarHBondContact O-N 3.02Å; T295-L298 PolarHBondContact O-N 3.39Å; L296-L298 VanDerWaalsContact C-N 3.31Å; L296-L298 PolarHBondContact O-N 3.09Å; L298-M300 VanDerWaalsContact C-N 3.3Å; L298-M300 PolarHBondContact O-N 3.03Å; L298-W301 CarbonylContact O-C 3.56Å; L298-W301 WeakPolarHBondContact O-CA 2.96Å; L298-W301 VanDerWaalsContact O-CB 3.31Å; L298-W301 WeakPolarHBondContact O-CB 3.25Å; L298-W301 PolarHBondContact O-N 3.12Å; L298-Y302 HydrophobicContact CB-CD2 4.25Å; L298-Y302 HydrophobicContact CB-CE2 4.1Å; L298-Y302 HydrophobicContact CD2-CE2 4.25Å; L298-Y302 WeakPolarHBondContact O-CD2 3.23Å; L298-Y302 PolarHBondContact O-N 3.35Å
299L96.7Very high95.1Very high30 Ų3066.2 Ų66.216%0.15735%0.352CS..Hα-helixtrans-55-48.2173.9-176.977.8000110.8I146 L149 L153 T295 L296 W301 Y302 V303I146-L299 HydrophobicContact CG2-CB 4.18Å; I146-L299 HydrophobicContact CG2-CD1 4.39Å; I146-L299 HydrophobicContact CG2-CD2 4.37Å; L149-L299 HydrophobicContact CB-CD1 4.34Å; L149-L299 HydrophobicContact CD2-CD1 3.83Å; L149-L299 HydrophobicContact CG-CD1 4Å; L153-L299 HydrophobicContact CD1-CD1 4.44Å; T295-L299 WeakPolarHBondContact O-CB 3.25Å; T295-L299 PolarHBondContact O-N 3.17Å; L296-L299 WeakPolarHBondContact O-CB 3.4Å; L296-L299 PolarHBondContact O-N 3.33Å; L299-W301 VanDerWaalsContact C-N 3.27Å; L299-W301 PolarHBondContact O-N 3.35Å; L299-Y302 PolarHBondContact O-N 3.11Å; L299-V303 VanDerWaalsContact O-CG2 3.3Å; L299-V303 WeakPolarHBondContact O-CG2 3.48Å; L299-V303 PolarHBondContact O-N 2.85Å
300M96.3Very high95.1Very high134 Ų13465.3 Ų65.366%0.6636%0.362SS*.Hα-helixtrans-60.9-37.4176.8-65.2-59.8-70.300112.2L296 A297 L298 S304L296-M300 WeakPolarHBondContact O-CG 3.36Å; L296-M300 PolarHBondContact O-N 3.28Å; L296-M300 VanDerWaalsContact O-N 3.09Å; A297-M300 PolarHBondContact O-N 3.19Å; L298-M300 VanDerWaalsContact C-N 3.3Å; L298-M300 PolarHBondContact O-N 3.03Å; M300-S304 WeakPolarHBondContact O-CB 3.49Å; M300-S304 PolarHBondContact O-N 3.3Å; M300-S304 VanDerWaalsContact O-N 3.09Å; M300-S304 PolarHBondContact O-OG 2.84Å
301W95.4Very high95Very high144 Ų14464.3 Ų64.355%0.54536%0.362SS..Hα-helixtrans-63.1-50.1173.3177.5-97.6000112.2A297 L298 L299 V303 S304 M305A297-W301 PolarHBondContact O-N 3.18Å; A297-W301 VanDerWaalsContact O-N 3.11Å; L298-W301 CarbonylContact O-C 3.56Å; L298-W301 WeakPolarHBondContact O-CA 2.96Å; L298-W301 VanDerWaalsContact O-CB 3.31Å; L298-W301 WeakPolarHBondContact O-CB 3.25Å; L298-W301 PolarHBondContact O-N 3.12Å; L299-W301 VanDerWaalsContact C-N 3.27Å; L299-W301 PolarHBondContact O-N 3.35Å; W301-V303 VanDerWaalsContact C-N 3.27Å; W301-V303 PolarHBondContact O-N 2.83Å; W301-S304 PolarHBondContact O-N 3.22Å; W301-S304 PolarHBondContact O-OG 3.05Å; W301-S304 VanDerWaalsContact O-OG 3.12Å; W301-M305 HydrophobicContact CZ2-CB 4.43Å; W301-M305 HydrophobicContact CZ2-CG 4.07Å; W301-M305 VanDerWaalsContact O-CB 3.23Å; W301-M305 WeakPolarHBondContact O-CB 3.46Å; W301-M305 PolarHBondContact O-N 3.36Å
302Y94.7Very high94.9Very high6 Ų669.1 Ų69.12%0.02439%0.387CS..Hα-helixtrans-70.9-20-179.5-72.3-74.4000113.7M154 P175 S176 L179 L298 L299 P306M154-Y302 HydrophobicContact CG-CD1 4.22Å; M154-Y302 HydrophobicContact SD-CD1 4.05Å; M154-Y302 HydrophobicContact SD-CE1 3.84Å; P175-Y302 PolarHBondContact O-OH 3.14Å; P175-Y302 VanDerWaalsContact O-OH 3.08Å; S176-Y302 VanDerWaalsContact CA-OH 3.25Å; S176-Y302 WeakPolarHBondContact CA-OH 3.24Å; L179-Y302 HydrophobicContact CD1-CD2 3.6Å; L179-Y302 HydrophobicContact CD1-CE1 4.44Å; L179-Y302 HydrophobicContact CD1-CE2 3.15Å; L179-Y302 HydrophobicContact CD1-CG 4.46Å; L179-Y302 HydrophobicContact CD2-CE2 4.48Å; L179-Y302 HydrophobicContact CG-CD2 4.48Å; L179-Y302 HydrophobicContact CG-CE2 3.77Å; L298-Y302 HydrophobicContact CB-CD2 4.25Å; L298-Y302 HydrophobicContact CB-CE2 4.1Å; L298-Y302 HydrophobicContact CD2-CE2 4.25Å; L298-Y302 WeakPolarHBondContact O-CD2 3.23Å; L298-Y302 PolarHBondContact O-N 3.35Å; L299-Y302 PolarHBondContact O-N 3.11Å; Y302-P306 WeakPolarHBondContact O-CD 3.46Å; Y302-P306 VanDerWaalsContact O-CG 3.25Å; Y302-P306 WeakPolarHBondContact O-CG 3.28Å
303V95.3Very high94.8Very high67 Ų6768.6 Ų68.641%0.40639%0.386SS..Hα-helixtrans-73.7-45.9168171.90000110.9L153 L299 W301 I307L153-V303 HydrophobicContact CD1-CB 4.38Å; L153-V303 HydrophobicContact CD1-CG2 3.46Å; L153-V303 VanDerWaalsContact CD1-CG2 3.46Å; L299-V303 VanDerWaalsContact O-CG2 3.3Å; L299-V303 WeakPolarHBondContact O-CG2 3.48Å; L299-V303 PolarHBondContact O-N 2.85Å; W301-V303 VanDerWaalsContact C-N 3.27Å; W301-V303 PolarHBondContact O-N 2.83Å; V303-I307 VanDerWaalsContact O-CD1 3.28Å; V303-I307 WeakPolarHBondContact O-CD1 3.43Å; V303-I307 WeakPolarHBondContact O-CG1 3.31Å
304S95.6Very high94.6Very high52 Ų5269.8 Ų69.836%0.36439%0.394SS..Hα-helixtrans-79-37.8-173.554.50000113.7M300 W301 I307 T308M300-S304 WeakPolarHBondContact O-CB 3.49Å; M300-S304 PolarHBondContact O-N 3.3Å; M300-S304 VanDerWaalsContact O-N 3.09Å; M300-S304 PolarHBondContact O-OG 2.84Å; W301-S304 PolarHBondContact O-N 3.22Å; W301-S304 PolarHBondContact O-OG 3.05Å; W301-S304 VanDerWaalsContact O-OG 3.12Å; S304-I307 WeakPolarHBondContact O-CB 3.47Å; S304-I307 PolarHBondContact O-N 3.09Å; S304-T308 WeakPolarHBondContact O-CG2 3.3Å; S304-T308 PolarHBondContact O-N 2.92Å; S304-T308 PolarHBondContact O-OG1 3.32Å
305M93.9Very high94.1Very high41 Ų4173.9 Ų73.920%0.20241%0.41CS..Hα-helixtrans-63.6-44.4-172-172.2-90.4-103.200113.9W301 I307 T308 I309W301-M305 HydrophobicContact CZ2-CB 4.43Å; W301-M305 HydrophobicContact CZ2-CG 4.07Å; W301-M305 VanDerWaalsContact O-CB 3.23Å; W301-M305 WeakPolarHBondContact O-CB 3.46Å; W301-M305 PolarHBondContact O-N 3.36Å; M305-I307 PolarHBondContact O-N 3.26Å; M305-T308 PolarHBondContact O-N 3.45Å; M305-T308 PolarHBondContact O-OG1 3.4Å; M305-I309 HydrophobicContact CG-CD1 3.81Å; M305-I309 WeakPolarHBondContact O-CG1 3.48Å; M305-I309 PolarHBondContact O-N 3.01Å; M305-I309 VanDerWaalsContact O-N 3.09Å; M305-I309 HydrophobicContact SD-CD1 3.58Å; M305-I309 VanDerWaalsContact SD-CD1 3.58Å; M305-I309 HydrophobicContact SD-CG1 4.47Å
306P92.6Very high93.3Very high11 Ų1182.3 Ų82.37%0.07146%0.462CS..Hα-helixtrans-62.7-31.2174.8-23.735.2000113.3Y302 S310 S311 I312Y302-P306 WeakPolarHBondContact O-CD 3.46Å; Y302-P306 VanDerWaalsContact O-CG 3.25Å; Y302-P306 WeakPolarHBondContact O-CG 3.28Å; P306-S310 CarbonylContact O-C 3.57Å; P306-S310 WeakPolarHBondContact O-CA 3.45Å; P306-S310 PolarHBondContact O-N 3.09Å; P306-S311 PolarHBondContact O-N 3.01Å; P306-I312 HydrophobicContact CB-CG1 4.35Å
307I94.4Very high93.2Very high109 Ų10982.5 Ų82.556%0.55947%0.465SS*.Hα-helixtrans-72.2-45.1178.6-58.7171.1000110.2V303 S304 M305 S310 I312V303-I307 VanDerWaalsContact O-CD1 3.28Å; V303-I307 WeakPolarHBondContact O-CD1 3.43Å; V303-I307 WeakPolarHBondContact O-CG1 3.31Å; S304-I307 WeakPolarHBondContact O-CB 3.47Å; S304-I307 PolarHBondContact O-N 3.09Å; M305-I307 PolarHBondContact O-N 3.26Å; I307-S310 PolarHBondContact O-N 3.41Å; I307-I312 HydrophobicContact CG1-CD1 4.31Å
308T95Very high93Very high111 Ų11183.7 Ų83.768%0.68146%0.463SS*.Hα-helixtrans-70.1-34.3-177.556.30000112.9S304 M305 S310S304-T308 WeakPolarHBondContact O-CG2 3.3Å; S304-T308 PolarHBondContact O-N 2.92Å; S304-T308 PolarHBondContact O-OG1 3.32Å; M305-T308 PolarHBondContact O-N 3.45Å; M305-T308 PolarHBondContact O-OG1 3.4Å; T308-S310 VanDerWaalsContact C-N 3.31Å
309I94.1Very high92.8Very high101 Ų10187 Ų8752%0.51848%0.482SS..THydrogen-bonded Turntrans-89.1-0.6179.2-55.3179.9000111.4M305 S311M305-I309 HydrophobicContact CG-CD1 3.81Å; M305-I309 WeakPolarHBondContact O-CG1 3.48Å; M305-I309 PolarHBondContact O-N 3.01Å; M305-I309 VanDerWaalsContact O-N 3.09Å; M305-I309 HydrophobicContact SD-CD1 3.58Å; M305-I309 VanDerWaalsContact SD-CD1 3.58Å; M305-I309 HydrophobicContact SD-CG1 4.47Å; I309-S311 PolarHBondContact O-N 3.17Å
310S92.3Very high92.6Very high113 Ų11390.4 Ų90.479%0.7950%0.501SS*.THydrogen-bonded Turntrans54.234.5-173.863.30000113.3P306 I307 T308P306-S310 CarbonylContact O-C 3.57Å; P306-S310 WeakPolarHBondContact O-CA 3.45Å; P306-S310 PolarHBondContact O-N 3.09Å; I307-S310 PolarHBondContact O-N 3.41Å; T308-S310 VanDerWaalsContact C-N 3.31Å
311S92.4Very high92.3Very high62 Ų6287.6 Ų87.643%0.43449%0.491SS..  trans-110.239.2-177.570.10000112P306 I309P306-S311 PolarHBondContact O-N 3.01Å; I309-S311 PolarHBondContact O-N 3.17Å
312I93.1Very high92.1Very high118 Ų11883.9 Ų83.961%0.60549%0.487SS*.PPolyproline II helixtrans-67.4123177.1-60.6172.7000108.2P306 I307P306-I312 HydrophobicContact CB-CG1 4.35Å; I307-I312 HydrophobicContact CG1-CD1 4.31Å
313P92.3Very high91.9Very high26 Ų2689.4 Ų89.417%0.16952%0.521CS..PPolyproline II helixtrans-68.8153-179.629.5-36.6000111.8L153 M154L153-P313 WeakPolarHBondContact O-CD 3.48Å; L153-P313 VanDerWaalsContact O-CG 3.25Å; L153-P313 WeakPolarHBondContact O-CG 3.46Å; M154-P313 WeakPolarHBondContact O-CB 3.42Å
314P91.8Very high91.7Very high93 Ų9391.2 Ų91.260%0.60453%0.529SS*.PPolyproline II helixtrans-67.3150.5175.830.2-35000111.3
315Q85.8Confident91.4Very high171 Ų17194.4 Ų94.480%0.79954%0.543SS*.  trans-80.9-19.9174.2-70.4-177-10.300113.2
316T78.8Confident91.1Very high177 Ų17799.3 Ų99.3100%1.08657%0.574SS**  trans-125.60-175.457.10000111.3

Retrieved 316 of 316 residues in 145.5 ms (Link to these results)

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