A0A077ZHE4_TRITR Loading...

Signal recognition particle subunit SRP68

AlphaFold DB , UniProt , Accession A0A077ZHE4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 477 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
1M36.6Very low41.6Very low191 Ų19198.1 Ų98.194%0.94158%0.575SS**  0-66.30-87.5174.969.200111.7L3 A4 D5M1-L3 VanDerWaalsContact C-N 3.29Å; M1-L3 PolarHBondContact O-N 2.92Å; M1-L3 VanDerWaalsContact O-N 3.08Å; M1-A4 PolarHBondContact O-N 3.1Å; M1-D5 PolarHBondContact O-N 3.35Å
2L35.1Very low44.5Very low145 Ų14595.5 Ų95.576%0.75956%0.562SS**Hα-helixtrans-54.1-35.4-176.5-71167.7000115.6M6L2-M6 WeakPolarHBondContact O-CB 3.38Å; L2-M6 WeakPolarHBondContact O-CG 3.48Å; L2-M6 PolarHBondContact O-N 3.23Å
3L37.4Very low47.3Very low122 Ų12289 Ų8964%0.63952%0.523SS*.Hα-helixtrans-73-30.4176.2-85.1169.4000114M1 A7 F81M1-L3 VanDerWaalsContact C-N 3.29Å; M1-L3 PolarHBondContact O-N 2.92Å; M1-L3 VanDerWaalsContact O-N 3.08Å; L3-A7 PolarHBondContact O-N 2.95Å; L3-F81 HydrophobicContact CD2-CE1 3.68Å; L3-F81 HydrophobicContact CD2-CZ 4.3Å; L3-F81 HydrophobicContact CG-CE1 4.5Å
4A40Very low50.4Low65 Ų6585.9 Ų85.954%0.53750%0.501SS..Hα-helixtrans-77.9-37.5176.600000110.8M1 M6 A7 S8M1-A4 PolarHBondContact O-N 3.1Å; A4-M6 VanDerWaalsContact C-N 3.31Å; A4-M6 PolarHBondContact O-N 3.49Å; A4-A7 PolarHBondContact O-N 3.42Å; A4-S8 PolarHBondContact O-N 3.25Å
5D37.6Very low53.1Low81 Ų8180.3 Ų80.343%0.43347%0.468SS..Hα-helixtrans-72.4-21.8175.1-62-33.8000112.9M1 S8 L9M1-D5 PolarHBondContact O-N 3.35Å; D5-S8 WeakPolarHBondContact CA-OG 3.36Å; D5-S8 PolarHBondContact O-OG 3.12Å; D5-L9 WeakPolarHBondContact O-CD1 3.3Å
6M36.4Very low55.6Low102 Ų10275.3 Ų75.350%0.50244%0.439SS..Hα-helixtrans-85.2-26.6173.1-69.2-87.799.900112.5L2 A4 L9L2-M6 WeakPolarHBondContact O-CB 3.38Å; L2-M6 WeakPolarHBondContact O-CG 3.48Å; L2-M6 PolarHBondContact O-N 3.23Å; A4-M6 VanDerWaalsContact C-N 3.31Å; A4-M6 PolarHBondContact O-N 3.49Å; M6-L9 HydrophobicContact CE-CD1 4.09Å; M6-L9 PolarHBondContact O-N 3.5Å
7A39.6Very low57.9Low78 Ų7873.9 Ų73.965%0.64543%0.427SS*.Hα-helixtrans-74.6-28.8173.200000112.3L3 A4 L9L3-A7 PolarHBondContact O-N 2.95Å; A4-A7 PolarHBondContact O-N 3.42Å; A7-L9 VanDerWaalsContact C-N 3.29Å
8S39.9Very low59.8Low82 Ų8271.8 Ų71.857%0.57341%0.414SS*.SBendtrans-76.8-12.5169.861.60000113.6A4 D5 S10A4-S8 PolarHBondContact O-N 3.25Å; D5-S8 WeakPolarHBondContact CA-OG 3.36Å; D5-S8 PolarHBondContact O-OG 3.12Å; S8-S10 PolarHBondContact O-N 2.92Å
9L39.4Very low61.6Low108 Ų10868.1 Ų68.157%0.56539%0.392SS*.  trans-80.239167.5-108.8104000111.8D5 M6 A7 S11D5-L9 WeakPolarHBondContact O-CD1 3.3Å; M6-L9 HydrophobicContact CE-CD1 4.09Å; M6-L9 PolarHBondContact O-N 3.5Å; A7-L9 VanDerWaalsContact C-N 3.29Å; L9-S11 VanDerWaalsContact C-N 3.25Å; L9-S11 PolarHBondContact O-N 3.43Å
10S52.5Low63.2Low44 Ų4465.2 Ų65.231%0.30838%0.375SS..  trans-57.699159.257.30000106.5S8 T12S8-S10 PolarHBondContact O-N 2.92Å; S10-T12 PolarHBondContact O-N 2.93Å
11S63.1Low64.7Low61 Ų6166.2 Ų66.243%0.42738%0.376SS..  trans-60.9103177.955.10000106.9L9 I13L9-S11 VanDerWaalsContact C-N 3.25Å; L9-S11 PolarHBondContact O-N 3.43Å; S11-I13 WeakPolarHBondContact O-CG1 3.38Å; S11-I13 PolarHBondContact O-N 3.03Å
12T76.5Confident67.4Low67 Ų6757.3 Ų57.341%0.41133%0.333SS..  trans-62.2128.1173570000106.9S10 H14 D152S10-T12 PolarHBondContact O-N 2.93Å; T12-H14 PolarHBondContact OG1-NE2 2.91Å; T12-D152 HydrophobicContact CG2-CB 4.07Å; T12-D152 VanDerWaalsContact CG2-OD2 3.25Å; T12-D152 WeakPolarHBondContact CG2-OD2 3.32Å
13I81.5Confident70.2Confident11 Ų1150.7 Ų50.76%0.05630%0.298CS..  trans-111.5105.7-179.5-57.2176.9000106.8S11 I15 H93 L96 T155S11-I13 WeakPolarHBondContact O-CG1 3.38Å; S11-I13 PolarHBondContact O-N 3.03Å; I13-I15 HydrophobicContact CG2-CG1 4.29Å; I13-I15 PolarHBondContact O-N 2.85Å; I13-H93 HydrophobicContact CD1-CB 3.8Å; I13-L96 HydrophobicContact CD1-CD1 3.78Å; I13-T155 HydrophobicContact CB-CG2 4.05Å; I13-T155 PolarHBondContact N-OG1 3.35Å
14H89.8Confident72.8Confident46 Ų4649.9 Ų49.921%0.21329%0.291CS..  trans-79.889.8176.3-58-58.8000109.6T12 L16 Q17 L18 E158 L203T12-H14 PolarHBondContact OG1-NE2 2.91Å; H14-L16 VanDerWaalsContact C-N 3.31Å; H14-L16 PolarHBondContact O-N 3.29Å; H14-Q17 HydrophobicContact CB-CB 3.92Å; H14-Q17 PolarHBondContact O-N 3.48Å; H14-L18 WeakPolarHBondContact O-CB 3.46Å; H14-L18 PolarHBondContact O-N 2.82Å; H14-E158 VanDerWaalsContact C-OE2 3.29Å; H14-E158 WeakPolarHBondContact CA-OE1 3.47Å; H14-E158 VanDerWaalsContact CA-OE2 3.31Å; H14-E158 WeakPolarHBondContact CA-OE2 3.29Å; H14-E158 IonicContact CE1-OE1 3.94Å; H14-E158 IonicContact CG-OE1 3.68Å; H14-E158 IonicContact ND1-OE1 2.86Å; H14-E158 PolarHBondContact ND1-OE1 3.06Å; H14-L203 HydrophobicContact CB-CD1 3.94Å; H14-L203 WeakPolarHBondContact CE1-CD2 3.43Å; H14-L203 VanDerWaalsContact ND1-CD2 3.31Å; H14-L203 WeakPolarHBondContact ND1-CD2 3.25Å
15I91.5Very high75.3Confident1 Ų152.8 Ų52.81%0.00529%0.294CS..Hα-helixtrans-62.8-42-177.6-66.1177000110I13 L18 V19 V100 E158 V159 Y162I13-I15 HydrophobicContact CG2-CG1 4.29Å; I13-I15 PolarHBondContact O-N 2.85Å; I15-L18 PolarHBondContact O-N 3.37Å; I15-V19 HydrophobicContact CG2-CG2 4.34Å; I15-V19 WeakPolarHBondContact O-CB 3.41Å; I15-V19 VanDerWaalsContact O-CG2 3.27Å; I15-V19 WeakPolarHBondContact O-CG2 3.48Å; I15-V19 PolarHBondContact O-N 2.76Å; I15-V100 HydrophobicContact CD1-CG2 4.4Å; I15-V100 HydrophobicContact CG2-CG1 4.05Å; I15-V100 HydrophobicContact CG2-CG2 3.84Å; I15-E158 PolarHBondContact N-OE2 3.37Å; I15-V159 HydrophobicContact CD1-CB 4.2Å; I15-V159 HydrophobicContact CD1-CG2 3.14Å; I15-Y162 HydrophobicContact CG2-CG 4.34Å
16L93.4Very high77.9Confident1 Ų151 Ų511%0.00528%0.282CS..Hα-helixtrans-65-44.7-178.4-178.364.4000111.1H14 V19 K20 E158 Y191 V206 Y207 R210H14-L16 VanDerWaalsContact C-N 3.31Å; H14-L16 PolarHBondContact O-N 3.29Å; L16-V19 PolarHBondContact O-N 3.32Å; L16-K20 HydrophobicContact CD1-CG 4.03Å; L16-K20 HydrophobicContact CG-CG 4.25Å; L16-K20 WeakPolarHBondContact O-CB 3.42Å; L16-K20 WeakPolarHBondContact O-CG 2.95Å; L16-K20 PolarHBondContact O-N 3.43Å; L16-E158 PolarHBondContact N-OE2 2.73Å; L16-Y191 HydrophobicContact CB-CE1 4.22Å; L16-Y191 HydrophobicContact CD2-CD1 4.11Å; L16-Y191 HydrophobicContact CD2-CE1 3.72Å; L16-Y191 HydrophobicContact CG-CE1 4.44Å; L16-V206 HydrophobicContact CB-CG1 4.41Å; L16-V206 HydrophobicContact CD2-CG1 3.77Å; L16-V206 WeakPolarHBondContact CD2-O 3.49Å; L16-V206 HydrophobicContact CG-CG1 3.7Å; L16-Y207 HydrophobicContact CB-CE1 4.39Å; L16-Y207 HydrophobicContact CD2-CD1 3.6Å; L16-Y207 HydrophobicContact CD2-CE1 4.18Å; L16-R210 HydrophobicContact CD1-CB 4.32Å; L16-R210 HydrophobicContact CD1-CG 4.3Å; L16-R210 HydrophobicContact CD2-CB 3.7Å; L16-R210 HydrophobicContact CD2-CG 4.21Å
17Q93.7Very high80.4Confident51 Ų5146.3 Ų46.324%0.23826%0.261CS..Hα-helixtrans-59.3-49.2175-176.4179.84.100111.2H14 V19 K20 E21 L203H14-Q17 HydrophobicContact CB-CB 3.92Å; H14-Q17 PolarHBondContact O-N 3.48Å; Q17-V19 VanDerWaalsContact C-N 3.27Å; Q17-V19 PolarHBondContact O-N 3.46Å; Q17-K20 PolarHBondContact O-N 3.15Å; Q17-E21 HydrophobicContact CG-CG 4.24Å; Q17-E21 VanDerWaalsContact CG-OE1 3.3Å; Q17-E21 WeakPolarHBondContact CG-OE1 3.49Å; Q17-E21 PolarHBondContact NE2-OE1 2.83Å; Q17-E21 WeakPolarHBondContact O-CB 3.15Å; Q17-E21 WeakPolarHBondContact O-CG 3.11Å; Q17-E21 PolarHBondContact O-N 2.9Å; Q17-L203 HydrophobicContact CB-CD1 4.13Å
18L92.5Very high82.8Confident37 Ų3743.7 Ų43.719%0.19424%0.236CC..Hα-helixtrans-55.3-41.6177.5176.966.9000112.5H14 I15 A22 F101H14-L18 WeakPolarHBondContact O-CB 3.46Å; H14-L18 PolarHBondContact O-N 2.82Å; I15-L18 PolarHBondContact O-N 3.37Å; L18-A22 WeakPolarHBondContact O-CB 3.47Å; L18-A22 PolarHBondContact O-N 3.24Å; L18-F101 HydrophobicContact CD1-CE2 4.31Å; L18-F101 HydrophobicContact CD1-CZ 4.1Å; L18-F101 HydrophobicContact CD2-CE2 4.11Å; L18-F101 HydrophobicContact CD2-CZ 4.38Å; L18-F101 HydrophobicContact CG-CE2 4.21Å; L18-F101 HydrophobicContact CG-CZ 4Å
19V94.1Very high85Confident0 Ų046.6 Ų46.60%023%0.234CC..Hα-helixtrans-70.8-47.5178.2170.50000110.5I15 L16 Q17 A22 Q23 V100 Y162I15-V19 HydrophobicContact CG2-CG2 4.34Å; I15-V19 WeakPolarHBondContact O-CB 3.41Å; I15-V19 VanDerWaalsContact O-CG2 3.27Å; I15-V19 WeakPolarHBondContact O-CG2 3.48Å; I15-V19 PolarHBondContact O-N 2.76Å; L16-V19 PolarHBondContact O-N 3.32Å; Q17-V19 VanDerWaalsContact C-N 3.27Å; Q17-V19 PolarHBondContact O-N 3.46Å; V19-A22 PolarHBondContact O-N 3.3Å; V19-Q23 HydrophobicContact CG1-CG 4.13Å; V19-Q23 VanDerWaalsContact CG1-NE2 3.25Å; V19-Q23 WeakPolarHBondContact O-CB 3.46Å; V19-Q23 VanDerWaalsContact O-CG 3.23Å; V19-Q23 WeakPolarHBondContact O-CG 3.41Å; V19-Q23 PolarHBondContact O-N 3.38Å; V19-V100 HydrophobicContact CG2-CG1 3.33Å; V19-Y162 HydrophobicContact CG2-CE2 4.33Å
20K93.7Very high87.2Confident11 Ų1148.6 Ų48.65%0.04824%0.24CC..Hα-helixtrans-64.1-45.9-176.4-78.2-70.5-175.2-170.90112.9L16 Q17 A22 Q23 Q24 V206 E213L16-K20 HydrophobicContact CD1-CG 4.03Å; L16-K20 HydrophobicContact CG-CG 4.25Å; L16-K20 WeakPolarHBondContact O-CB 3.42Å; L16-K20 WeakPolarHBondContact O-CG 2.95Å; L16-K20 PolarHBondContact O-N 3.43Å; Q17-K20 PolarHBondContact O-N 3.15Å; K20-A22 VanDerWaalsContact C-N 3.3Å; K20-A22 PolarHBondContact O-N 3.2Å; K20-Q23 PolarHBondContact O-N 3.32Å; K20-Q24 WeakPolarHBondContact O-CG 3.45Å; K20-Q24 PolarHBondContact O-N 3.27Å; K20-V206 HydrophobicContact CB-CG1 4.39Å; K20-V206 HydrophobicContact CG-CG1 4.1Å; K20-E213 IonicContact NZ-OE1 2.61Å; K20-E213 PolarHBondContact NZ-OE1 3.1Å; K20-E213 IonicContact NZ-OE2 3.7Å; K20-E213 PolarHBondContact NZ-OE2 3.16Å
21E93.6Very high88.9Confident86 Ų8647.4 Ų47.440%0.40224%0.236SC..Hα-helixtrans-58.5-45.1175.3-71.5176.6-179.500111Q17 Q23 Q24 Q25Q17-E21 HydrophobicContact CG-CG 4.24Å; Q17-E21 VanDerWaalsContact CG-OE1 3.3Å; Q17-E21 WeakPolarHBondContact CG-OE1 3.49Å; Q17-E21 PolarHBondContact NE2-OE1 2.83Å; Q17-E21 WeakPolarHBondContact O-CB 3.15Å; Q17-E21 WeakPolarHBondContact O-CG 3.11Å; Q17-E21 PolarHBondContact O-N 2.9Å; E21-Q23 PolarHBondContact O-N 2.84Å; E21-Q24 PolarHBondContact O-N 3.21Å; E21-Q25 WeakPolarHBondContact O-CB 3.49Å; E21-Q25 VanDerWaalsContact O-CG 3.25Å; E21-Q25 WeakPolarHBondContact O-CG 3.45Å; E21-Q25 PolarHBondContact O-N 3.34Å
22A93.9Very high90.3Very high4 Ų447.7 Ų47.73%0.03323%0.232CC..Hα-helixtrans-64.1-41.1177.100000112.3L18 V19 K20 H26 Y36 Y39 F101L18-A22 WeakPolarHBondContact O-CB 3.47Å; L18-A22 PolarHBondContact O-N 3.24Å; V19-A22 PolarHBondContact O-N 3.3Å; K20-A22 VanDerWaalsContact C-N 3.3Å; K20-A22 PolarHBondContact O-N 3.2Å; A22-H26 WeakPolarHBondContact O-CB 3.49Å; A22-H26 PolarHBondContact O-CD2 3.43Å; A22-H26 PolarHBondContact O-N 3.05Å; A22-Y36 HydrophobicContact CB-CE2 4.14Å; A22-Y36 WeakPolarHBondContact O-CE2 3.37Å; A22-Y39 HydrophobicContact CB-CE1 3.89Å; A22-F101 HydrophobicContact CB-CE1 3.81Å; A22-F101 HydrophobicContact CB-CZ 4.23Å
23Q93.7Very high91.1Very high6 Ų646 Ų463%0.02822%0.219CC..Hα-helixtrans-63.3-48.1178.7-76178.7-6.400111.1V19 K20 E21 H26 L28 Y36 D104V19-Q23 HydrophobicContact CG1-CG 4.13Å; V19-Q23 VanDerWaalsContact CG1-NE2 3.25Å; V19-Q23 WeakPolarHBondContact O-CB 3.46Å; V19-Q23 VanDerWaalsContact O-CG 3.23Å; V19-Q23 WeakPolarHBondContact O-CG 3.41Å; V19-Q23 PolarHBondContact O-N 3.38Å; K20-Q23 PolarHBondContact O-N 3.32Å; E21-Q23 PolarHBondContact O-N 2.84Å; Q23-H26 PolarHBondContact O-N 3.39Å; Q23-L28 HydrophobicContact CB-CB 4.01Å; Q23-L28 HydrophobicContact CB-CD2 3.68Å; Q23-L28 HydrophobicContact CB-CG 4.5Å; Q23-L28 HydrophobicContact CG-CD2 3.66Å; Q23-L28 WeakPolarHBondContact O-CB 3.44Å; Q23-L28 PolarHBondContact O-N 2.96Å; Q23-L28 VanDerWaalsContact O-N 3.1Å; Q23-Y36 HydrophobicContact CB-CE2 4.29Å; Q23-Y36 HydrophobicContact CG-CD2 4.47Å; Q23-Y36 HydrophobicContact CG-CE1 4Å; Q23-Y36 HydrophobicContact CG-CE2 3.81Å; Q23-D104 PolarHBondContact NE2-OD2 2.88Å
24Q91.5Very high91.8Very high106 Ų10649.5 Ų49.550%0.49524%0.235SC..Hα-helixtrans-63.8-43.4179.8-69177.88.400112.2K20 E21 H26K20-Q24 WeakPolarHBondContact O-CG 3.45Å; K20-Q24 PolarHBondContact O-N 3.27Å; E21-Q24 PolarHBondContact O-N 3.21Å; Q24-H26 PolarHBondContact O-N 3.36Å
25Q92.7Very high92.1Very high126 Ų12653.4 Ų53.459%0.58925%0.248SC*.Hα-helixtrans-72.4-23.3-177.9-70.8177.38.300114.5E21E21-Q25 WeakPolarHBondContact O-CB 3.49Å; E21-Q25 VanDerWaalsContact O-CG 3.25Å; E21-Q25 WeakPolarHBondContact O-CG 3.45Å; E21-Q25 PolarHBondContact O-N 3.34Å
26H93.7Very high92.4Very high42 Ų4253.4 Ų53.419%0.19425%0.247CC..THydrogen-bonded Turntrans-121.331.1-165.5-58.7-48.7000115.4A22 Q23 Q24 R35 Y36 Y39A22-H26 WeakPolarHBondContact O-CB 3.49Å; A22-H26 PolarHBondContact O-CD2 3.43Å; A22-H26 PolarHBondContact O-N 3.05Å; Q23-H26 PolarHBondContact O-N 3.39Å; Q24-H26 PolarHBondContact O-N 3.36Å; H26-R35 CarbonylContact O-C 3.47Å; H26-R35 WeakPolarHBondContact O-CG 3.11Å; H26-Y36 HydrophobicContact CB-CD2 3.96Å; H26-Y36 VanDerWaalsContact O-CA 3.3Å; H26-Y36 WeakPolarHBondContact O-CA 3.12Å; H26-Y36 PolarHBondContact O-N 2.99Å; H26-Y36 VanDerWaalsContact O-N 3.14Å; H26-Y39 HydrophobicContact CB-CD1 4.18Å; H26-Y39 HydrophobicContact CB-CD2 4.31Å; H26-Y39 HydrophobicContact CB-CG 3.83Å; H26-Y39 AromaticContact CD2-CD1 3.49Å; H26-Y39 VanDerWaalsContact CD2-CD1 3.49Å; H26-Y39 WeakPolarHBondContact CD2-CD1 3.4Å; H26-Y39 AromaticContact CD2-CD2 3.25Å; H26-Y39 WeakPolarHBondContact CD2-CD2 3.28Å; H26-Y39 AromaticContact CD2-CE1 3.45Å; H26-Y39 VanDerWaalsContact CD2-CE1 3.45Å; H26-Y39 WeakPolarHBondContact CD2-CE1 2.91Å; H26-Y39 AromaticContact CD2-CE2 3.18Å; H26-Y39 WeakPolarHBondContact CD2-CE2 3.41Å; H26-Y39 AromaticContact CD2-CG 3.38Å; H26-Y39 AromaticContact CD2-CZ 3.25Å; H26-Y39 AromaticContact CE1-CD2 3.73Å; H26-Y39 AromaticContact CE1-CE2 3.65Å; H26-Y39 AromaticContact CG-CD1 3.99Å; H26-Y39 AromaticContact CG-CD2 3.53Å; H26-Y39 AromaticContact CG-CE2 3.93Å; H26-Y39 AromaticContact CG-CG 3.53Å; H26-Y39 AromaticContact ND1-CD2 3.83Å; H26-Y39 AromaticContact NE2-CD2 3.35Å; H26-Y39 VanDerWaalsContact NE2-CD2 3.35Å; H26-Y39 WeakPolarHBondContact NE2-CD2 3.33Å; H26-Y39 AromaticContact NE2-CE2 2.92Å; H26-Y39 WeakPolarHBondContact NE2-CE2 3.42Å; H26-Y39 AromaticContact NE2-CG 4Å; H26-Y39 AromaticContact NE2-CZ 3.27Å; H26-Y39 VanDerWaalsContact NE2-CZ 3.27Å
27G87.8Confident92.5Very high5 Ų555.5 Ų55.55%0.05226%0.255CS..THydrogen-bonded Turntrans117.7-19.1165.100000114.8R29 H30 G31 D32G27-R29 VanDerWaalsContact C-N 3.25Å; G27-R29 PolarHBondContact O-N 3.28Å; G27-H30 PolarHBondContact O-N 3.21Å; G27-G31 PolarHBondContact O-N 3.29Å; G27-D32 PolarHBondContact O-N 3.42Å; G27-D32 VanDerWaalsContact O-N 3.08Å
28L89.3Confident92.7Very high23 Ų2357.3 Ų57.312%0.1226%0.264CS..G310 helixtrans-70.5-22.4-173.6-138.472.5000113.4Q23 H30 G31 Y33 Y36 W107Q23-L28 HydrophobicContact CB-CB 4.01Å; Q23-L28 HydrophobicContact CB-CD2 3.68Å; Q23-L28 HydrophobicContact CB-CG 4.5Å; Q23-L28 HydrophobicContact CG-CD2 3.66Å; Q23-L28 WeakPolarHBondContact O-CB 3.44Å; Q23-L28 PolarHBondContact O-N 2.96Å; Q23-L28 VanDerWaalsContact O-N 3.1Å; L28-H30 PolarHBondContact O-N 3.26Å; L28-H30 VanDerWaalsContact O-N 3.13Å; L28-G31 PolarHBondContact O-N 2.69Å; L28-Y33 HydrophobicContact CD1-CD1 3.42Å; L28-Y33 VanDerWaalsContact CD1-CD1 3.42Å; L28-Y33 HydrophobicContact CD1-CE1 3.49Å; L28-Y33 VanDerWaalsContact CD1-CE1 3.49Å; L28-Y33 HydrophobicContact CD1-CG 4.08Å; L28-Y33 HydrophobicContact CG-CE1 4.35Å; L28-Y36 HydrophobicContact CD1-CD1 4.49Å; L28-Y36 HydrophobicContact CD1-CG 4.42Å; L28-W107 HydrophobicContact CD2-CH2 3.82Å; L28-W107 HydrophobicContact CD2-CZ3 3.92Å
29R86.9Confident92.9Very high142 Ų14256.5 Ų56.554%0.53626%0.258SS..G310 helixtrans-54.1-29.3169.5-171.9177.9-179.7-164.3-0.7112.7G27 E246G27-R29 VanDerWaalsContact C-N 3.25Å; G27-R29 PolarHBondContact O-N 3.28Å; R29-E246 IonicContact CZ-OE2 3.4Å; R29-E246 IonicContact NH2-OE1 2.95Å; R29-E246 IonicContact NH2-OE2 3.49Å; R29-E246 PolarHBondContact NH2-OE2 3.04Å
30H86.6Confident92.9Very high150 Ų15056.5 Ų56.569%0.69426%0.258SS*.G310 helixtrans-112.214.4179-52.6-59.2000112.8G27 L28 D32G27-H30 PolarHBondContact O-N 3.21Å; L28-H30 PolarHBondContact O-N 3.26Å; L28-H30 VanDerWaalsContact O-N 3.13Å; H30-D32 VanDerWaalsContact C-N 3.27Å; H30-D32 PolarHBondContact O-N 2.82Å
31G86.7Confident92.9Very high20 Ų2057.6 Ų57.621%0.20627%0.268CS..THydrogen-bonded Turntrans69.917.1-178.400000115.2G27 L28 Y33 Q115G27-G31 PolarHBondContact O-N 3.29Å; L28-G31 PolarHBondContact O-N 2.69Å; G31-Y33 VanDerWaalsContact O-CD2 3.27Å; G31-Y33 WeakPolarHBondContact O-CD2 3.44Å; G31-Y33 PolarHBondContact O-N 2.81Å; G31-Q115 PolarHBondContact O-NE2 3.01Å; G31-Q115 PolarHBondContact O-OE1 3.49Å
32D92.7Very high93Very high67 Ų6759.7 Ų59.736%0.35827%0.272SS..  trans-8686.9177.5-176.1-8.4000111.3G27 H30 Q34 R35 Y36G27-D32 PolarHBondContact O-N 3.42Å; G27-D32 VanDerWaalsContact O-N 3.08Å; H30-D32 VanDerWaalsContact C-N 3.27Å; H30-D32 PolarHBondContact O-N 2.82Å; D32-Q34 VanDerWaalsContact C-N 3.29Å; D32-Q34 PolarHBondContact O-N 3.27Å; D32-Q34 WeakPolarHBondContact OD1-CB 3.43Å; D32-Q34 PolarHBondContact OD1-N 3.16Å; D32-Q34 VanDerWaalsContact OD1-N 3.08Å; D32-R35 HydrophobicContact CB-CB 4.33Å; D32-R35 VanDerWaalsContact CG-CB 3.45Å; D32-R35 PolarHBondContact OD1-N 3.46Å; D32-R35 WeakPolarHBondContact OD2-CB 3.35Å; D32-Y36 PolarHBondContact O-N 3.05Å
33Y94.7Very high92.8Very high31 Ų3162.2 Ų62.212%0.12228%0.282CS..Hα-helixtrans-69-26.1177.1-67.1-82.5000113.2L28 G31 R37 W107 A108 M111 Q115L28-Y33 HydrophobicContact CD1-CD1 3.42Å; L28-Y33 VanDerWaalsContact CD1-CD1 3.42Å; L28-Y33 HydrophobicContact CD1-CE1 3.49Å; L28-Y33 VanDerWaalsContact CD1-CE1 3.49Å; L28-Y33 HydrophobicContact CD1-CG 4.08Å; L28-Y33 HydrophobicContact CG-CE1 4.35Å; G31-Y33 VanDerWaalsContact O-CD2 3.27Å; G31-Y33 WeakPolarHBondContact O-CD2 3.44Å; G31-Y33 PolarHBondContact O-N 2.81Å; Y33-R37 VanDerWaalsContact O-CB 3.28Å; Y33-R37 WeakPolarHBondContact O-CB 3.44Å; Y33-R37 PolarHBondContact O-N 3.28Å; Y33-W107 AromaticContact CE1-CH2 3.87Å; Y33-W107 HydrophobicContact CE1-CH2 3.87Å; Y33-W107 HydrophobicContact CE1-CZ2 4.3Å; Y33-W107 HydrophobicContact CE1-CZ3 4.22Å; Y33-A108 WeakPolarHBondContact CB-O 3.33Å; Y33-M111 HydrophobicContact CD1-CB 3.32Å; Y33-M111 HydrophobicContact CD1-CG 4.15Å; Y33-M111 HydrophobicContact CD2-CB 4.06Å; Y33-M111 HydrophobicContact CE1-CB 3.3Å; Y33-M111 HydrophobicContact CE1-CG 3.72Å; Y33-M111 HydrophobicContact CE2-CB 4.05Å; Y33-M111 HydrophobicContact CG-CB 3.71Å; Y33-Q115 VanDerWaalsContact CD2-CD 3.45Å; Y33-Q115 HydrophobicContact CD2-CG 4.33Å; Y33-Q115 HydrophobicContact CE2-CG 4.37Å
34Q95.3Very high92.6Very high85 Ų8562 Ų6240%0.39728%0.281SS..Hα-helixtrans-67.1-48179.7169.6163.9-52.800110.9D32 Y36 R37 Q38D32-Q34 VanDerWaalsContact C-N 3.29Å; D32-Q34 PolarHBondContact O-N 3.27Å; D32-Q34 WeakPolarHBondContact OD1-CB 3.43Å; D32-Q34 PolarHBondContact OD1-N 3.16Å; D32-Q34 VanDerWaalsContact OD1-N 3.08Å; Q34-Y36 VanDerWaalsContact C-N 3.32Å; Q34-Y36 PolarHBondContact O-N 3.3Å; Q34-R37 PolarHBondContact O-N 3.17Å; Q34-Q38 WeakPolarHBondContact O-CG 3.09Å; Q34-Q38 PolarHBondContact O-N 2.87Å
35R95.9Very high92.4Very high128 Ų12864.4 Ų64.448%0.48329%0.285SS..Hα-helixtrans-61-43176.8-176.3-180178.9176.6-1.2111.2H26 D32 Q38 Y39H26-R35 CarbonylContact O-C 3.47Å; H26-R35 WeakPolarHBondContact O-CG 3.11Å; D32-R35 HydrophobicContact CB-CB 4.33Å; D32-R35 VanDerWaalsContact CG-CB 3.45Å; D32-R35 PolarHBondContact OD1-N 3.46Å; D32-R35 WeakPolarHBondContact OD2-CB 3.35Å; R35-Q38 PolarHBondContact O-N 3.1Å; R35-Y39 PolarHBondContact O-N 3.21Å
36Y97.6Very high92.1Very high0 Ų065.6 Ų65.60%029%0.285CS..Hα-helixtrans-64.5-42.9177.9-174.8-108.8000112.4A22 Q23 H26 L28 D32 Q34 Q38 Y39 C40 D104 A108A22-Y36 HydrophobicContact CB-CE2 4.14Å; A22-Y36 WeakPolarHBondContact O-CE2 3.37Å; Q23-Y36 HydrophobicContact CB-CE2 4.29Å; Q23-Y36 HydrophobicContact CG-CD2 4.47Å; Q23-Y36 HydrophobicContact CG-CE1 4Å; Q23-Y36 HydrophobicContact CG-CE2 3.81Å; H26-Y36 HydrophobicContact CB-CD2 3.96Å; H26-Y36 VanDerWaalsContact O-CA 3.3Å; H26-Y36 WeakPolarHBondContact O-CA 3.12Å; H26-Y36 PolarHBondContact O-N 2.99Å; H26-Y36 VanDerWaalsContact O-N 3.14Å; L28-Y36 HydrophobicContact CD1-CD1 4.49Å; L28-Y36 HydrophobicContact CD1-CG 4.42Å; D32-Y36 PolarHBondContact O-N 3.05Å; Q34-Y36 VanDerWaalsContact C-N 3.32Å; Q34-Y36 PolarHBondContact O-N 3.3Å; Y36-Q38 VanDerWaalsContact C-N 3.34Å; Y36-Q38 PolarHBondContact O-N 2.92Å; Y36-Y39 HydrophobicContact CD2-CD1 4.39Å; Y36-Y39 HydrophobicContact CE2-CD1 4.11Å; Y36-Y39 WeakPolarHBondContact O-CB 3.16Å; Y36-Y39 PolarHBondContact O-N 3.26Å; Y36-C40 VanDerWaalsContact CE1-SG 3.52Å; Y36-C40 PolarHBondContact O-N 3.18Å; Y36-C40 PolarHBondContact O-SG 3.15Å; Y36-C40 VanDerWaalsContact O-SG 3.34Å; Y36-D104 HydrophobicContact CE1-CB 4.25Å; Y36-D104 WeakPolarHBondContact CE1-OD2 3.43Å; Y36-D104 VanDerWaalsContact CZ-OD2 3.28Å; Y36-D104 PolarHBondContact OH-OD2 3.44Å; Y36-A108 HydrophobicContact CD1-CB 3.65Å; Y36-A108 HydrophobicContact CE1-CB 4.25Å
37R96Very high91.7Very high45 Ų4564.2 Ų64.217%0.1728%0.279CS..Hα-helixtrans-59.6-41.7174-177.5-169.869.1-178.9-7.7112.5Y33 Q34 C40 S41 R105 A108 Q112Y33-R37 VanDerWaalsContact O-CB 3.28Å; Y33-R37 WeakPolarHBondContact O-CB 3.44Å; Y33-R37 PolarHBondContact O-N 3.28Å; Q34-R37 PolarHBondContact O-N 3.17Å; R37-C40 PolarHBondContact O-N 2.94Å; R37-S41 PolarHBondContact O-N 3.38Å; R37-S41 PolarHBondContact O-OG 3.27Å; R37-R105 HydrophobicContact CG-CG 3.94Å; R37-A108 HydrophobicContact CB-CB 4.21Å; R37-Q112 VanDerWaalsContact NH2-OE1 3.16Å
38Q96.7Very high91.5Very high89 Ų8967.3 Ų67.342%0.41629%0.289SS..Hα-helixtrans-66.6-39176.2-71.7177.11.500111.6Q34 R35 Y36 S41 R42Q34-Q38 WeakPolarHBondContact O-CG 3.09Å; Q34-Q38 PolarHBondContact O-N 2.87Å; R35-Q38 PolarHBondContact O-N 3.1Å; Y36-Q38 VanDerWaalsContact C-N 3.34Å; Y36-Q38 PolarHBondContact O-N 2.92Å; Q38-S41 PolarHBondContact O-N 3.49Å; Q38-R42 WeakPolarHBondContact O-CG 3.26Å; Q38-R42 PolarHBondContact O-N 2.93Å
39Y97.1Very high91Very high20 Ų2072.7 Ų72.78%0.07831%0.311CS..Hα-helixtrans-58.1-52.7171.3165.9-97.5000111.3A22 H26 R35 Y36 S41 R42 K43 F101A22-Y39 HydrophobicContact CB-CE1 3.89Å; H26-Y39 HydrophobicContact CB-CD1 4.18Å; H26-Y39 HydrophobicContact CB-CD2 4.31Å; H26-Y39 HydrophobicContact CB-CG 3.83Å; H26-Y39 AromaticContact CD2-CD1 3.49Å; H26-Y39 VanDerWaalsContact CD2-CD1 3.49Å; H26-Y39 WeakPolarHBondContact CD2-CD1 3.4Å; H26-Y39 AromaticContact CD2-CD2 3.25Å; H26-Y39 WeakPolarHBondContact CD2-CD2 3.28Å; H26-Y39 AromaticContact CD2-CE1 3.45Å; H26-Y39 VanDerWaalsContact CD2-CE1 3.45Å; H26-Y39 WeakPolarHBondContact CD2-CE1 2.91Å; H26-Y39 AromaticContact CD2-CE2 3.18Å; H26-Y39 WeakPolarHBondContact CD2-CE2 3.41Å; H26-Y39 AromaticContact CD2-CG 3.38Å; H26-Y39 AromaticContact CD2-CZ 3.25Å; H26-Y39 AromaticContact CE1-CD2 3.73Å; H26-Y39 AromaticContact CE1-CE2 3.65Å; H26-Y39 AromaticContact CG-CD1 3.99Å; H26-Y39 AromaticContact CG-CD2 3.53Å; H26-Y39 AromaticContact CG-CE2 3.93Å; H26-Y39 AromaticContact CG-CG 3.53Å; H26-Y39 AromaticContact ND1-CD2 3.83Å; H26-Y39 AromaticContact NE2-CD2 3.35Å; H26-Y39 VanDerWaalsContact NE2-CD2 3.35Å; H26-Y39 WeakPolarHBondContact NE2-CD2 3.33Å; H26-Y39 AromaticContact NE2-CE2 2.92Å; H26-Y39 WeakPolarHBondContact NE2-CE2 3.42Å; H26-Y39 AromaticContact NE2-CG 4Å; H26-Y39 AromaticContact NE2-CZ 3.27Å; H26-Y39 VanDerWaalsContact NE2-CZ 3.27Å; R35-Y39 PolarHBondContact O-N 3.21Å; Y36-Y39 HydrophobicContact CD2-CD1 4.39Å; Y36-Y39 HydrophobicContact CE2-CD1 4.11Å; Y36-Y39 WeakPolarHBondContact O-CB 3.16Å; Y36-Y39 PolarHBondContact O-N 3.26Å; Y39-S41 VanDerWaalsContact C-N 3.26Å; Y39-S41 PolarHBondContact O-N 3.3Å; Y39-R42 CarbonylContact O-C 3.56Å; Y39-R42 WeakPolarHBondContact O-CA 3.34Å; Y39-R42 WeakPolarHBondContact O-CB 3.37Å; Y39-R42 PolarHBondContact O-N 2.88Å; Y39-K43 HydrophobicContact CE1-CB 4.27Å; Y39-K43 PolarHBondContact O-N 2.81Å; Y39-F101 HydrophobicContact CE1-CD1 4.49Å; Y39-F101 HydrophobicContact CE1-CE1 4.04Å
40C94.9Very high90.6Very high0 Ų068.5 Ų68.50%030%0.304CS..Hα-helixtrans-57.5-41.9-179.9-65.10000111.2Y36 R37 R42 K43 L44 R105Y36-C40 VanDerWaalsContact CE1-SG 3.52Å; Y36-C40 PolarHBondContact O-N 3.18Å; Y36-C40 PolarHBondContact O-SG 3.15Å; Y36-C40 VanDerWaalsContact O-SG 3.34Å; R37-C40 PolarHBondContact O-N 2.94Å; C40-R42 VanDerWaalsContact C-N 3.34Å; C40-R42 PolarHBondContact O-N 3.46Å; C40-K43 PolarHBondContact O-N 3.42Å; C40-L44 WeakPolarHBondContact O-CB 2.88Å; C40-L44 WeakPolarHBondContact O-CD1 3.17Å; C40-L44 WeakPolarHBondContact O-CG 3.38Å; C40-L44 PolarHBondContact O-N 3.47Å; C40-R105 HydrophobicContact CB-CB 3.69Å; C40-R105 HydrophobicContact CB-CG 4.15Å
41S93.8Very high90Very high35 Ų3562.5 Ų62.525%0.24528%0.277CS..Hα-helixtrans-59.2-41.9175-600000112.9R37 Q38 Y39 R45 R105R37-S41 PolarHBondContact O-N 3.38Å; R37-S41 PolarHBondContact O-OG 3.27Å; Q38-S41 PolarHBondContact O-N 3.49Å; Y39-S41 VanDerWaalsContact C-N 3.26Å; Y39-S41 PolarHBondContact O-N 3.3Å; S41-R45 WeakPolarHBondContact O-CB 3.5Å; S41-R45 PolarHBondContact O-N 2.93Å; S41-R45 VanDerWaalsContact O-N 3.13Å; S41-R105 WeakPolarHBondContact OG-CD 3.27Å
42R94.6Very high89.4Confident130 Ų13070.7 Ų70.749%0.49131%0.307SS..Hα-helixtrans-71.1-40.5176.2-71.8-176.5-72.2172.1-3.9112.1Q38 Y39 C40 R45 R46Q38-R42 WeakPolarHBondContact O-CG 3.26Å; Q38-R42 PolarHBondContact O-N 2.93Å; Y39-R42 CarbonylContact O-C 3.56Å; Y39-R42 WeakPolarHBondContact O-CA 3.34Å; Y39-R42 WeakPolarHBondContact O-CB 3.37Å; Y39-R42 PolarHBondContact O-N 2.88Å; C40-R42 VanDerWaalsContact C-N 3.34Å; C40-R42 PolarHBondContact O-N 3.46Å; R42-R45 PolarHBondContact O-N 3.3Å; R42-R46 WeakPolarHBondContact O-CG 3.37Å; R42-R46 PolarHBondContact O-N 3.12Å
43K91.4Very high88Confident57 Ų5770.9 Ų70.925%0.24831%0.308CS..Hα-helixtrans-59.8-52175.5-178.273.6172.9-161.20110.3Y39 C40 R45 R46 V47 F101Y39-K43 HydrophobicContact CE1-CB 4.27Å; Y39-K43 PolarHBondContact O-N 2.81Å; C40-K43 PolarHBondContact O-N 3.42Å; K43-R45 VanDerWaalsContact C-N 3.31Å; K43-R45 PolarHBondContact O-N 3.02Å; K43-R46 PolarHBondContact O-N 3.17Å; K43-V47 HydrophobicContact CD-CG2 4.46Å; K43-V47 HydrophobicContact CG-CG2 4.45Å; K43-V47 WeakPolarHBondContact O-CG2 3.39Å; K43-V47 PolarHBondContact O-N 3.21Å; K43-F101 HydrophobicContact CD-CE2 4.4Å; K43-F101 HydrophobicContact CG-CD1 4.48Å; K43-F101 HydrophobicContact CG-CD2 3.77Å; K43-F101 HydrophobicContact CG-CE2 3.95Å; K43-F101 HydrophobicContact CG-CG 4.09Å; K43-F101 HydrophobicContact CG-CZ 4.38Å
44L88.9Confident86Confident0 Ų073.2 Ų73.20%033%0.329CS..Hα-helixtrans-55.7-44175.8-71166.9000112.1C40 R46 V47 R48 L98 F101 E102C40-L44 WeakPolarHBondContact O-CB 2.88Å; C40-L44 WeakPolarHBondContact O-CD1 3.17Å; C40-L44 WeakPolarHBondContact O-CG 3.38Å; C40-L44 PolarHBondContact O-N 3.47Å; L44-R46 PolarHBondContact O-N 3.15Å; L44-V47 PolarHBondContact O-N 3.11Å; L44-R48 WeakPolarHBondContact O-CB 3.27Å; L44-R48 VanDerWaalsContact O-CG 3.3Å; L44-R48 WeakPolarHBondContact O-CG 3.49Å; L44-R48 PolarHBondContact O-N 3.49Å; L44-L98 HydrophobicContact CD2-CB 4.48Å; L44-L98 HydrophobicContact CD2-CD2 3.86Å; L44-L98 VanDerWaalsContact CD2-O 3.29Å; L44-L98 WeakPolarHBondContact CD2-O 3.21Å; L44-F101 HydrophobicContact CD2-CB 3.91Å; L44-F101 HydrophobicContact CG-CB 4.08Å; L44-E102 HydrophobicContact CD1-CB 4.25Å; L44-E102 WeakPolarHBondContact CD1-OE2 3.1Å; L44-E102 HydrophobicContact CD2-CB 4.16Å
45R86.5Confident84Confident158 Ų15873.7 Ų73.760%0.59633%0.333SS*.Hα-helixtrans-60.7-44.1176-172.2-174.1-63.6155-1.1111.8S41 R42 K43 K49S41-R45 WeakPolarHBondContact O-CB 3.5Å; S41-R45 PolarHBondContact O-N 2.93Å; S41-R45 VanDerWaalsContact O-N 3.13Å; R42-R45 PolarHBondContact O-N 3.3Å; K43-R45 VanDerWaalsContact C-N 3.31Å; K43-R45 PolarHBondContact O-N 3.02Å; R45-K49 WeakPolarHBondContact O-CG 3.23Å; R45-K49 PolarHBondContact O-N 2.98Å; R45-K49 VanDerWaalsContact O-N 3.07Å
46R87.6Confident81.6Confident151 Ų15169.8 Ų69.857%0.5733%0.333SS*.Hα-helixtrans-64.7-44.1178-74.5-174.1-76.1171.8-3.6111.9R42 K43 L44 K49 S50R42-R46 WeakPolarHBondContact O-CG 3.37Å; R42-R46 PolarHBondContact O-N 3.12Å; K43-R46 PolarHBondContact O-N 3.17Å; L44-R46 PolarHBondContact O-N 3.15Å; R46-K49 PolarHBondContact O-N 3.41Å; R46-S50 PolarHBondContact O-N 3.18Å
47V84.2Confident79Confident13 Ų1379.3 Ų79.38%0.07938%0.377CS..Hα-helixtrans-66.8-42.2178.6178.70000111.5K43 L44 K49 S50 L51 R94 L98K43-V47 HydrophobicContact CD-CG2 4.46Å; K43-V47 HydrophobicContact CG-CG2 4.45Å; K43-V47 WeakPolarHBondContact O-CG2 3.39Å; K43-V47 PolarHBondContact O-N 3.21Å; L44-V47 PolarHBondContact O-N 3.11Å; V47-K49 VanDerWaalsContact C-N 3.33Å; V47-K49 PolarHBondContact O-N 3.47Å; V47-S50 PolarHBondContact O-N 3.18Å; V47-S50 PolarHBondContact O-OG 3.09Å; V47-L51 HydrophobicContact CG1-CD1 3.96Å; V47-L51 HydrophobicContact CG1-CG 4.49Å; V47-L51 WeakPolarHBondContact O-CG 3.48Å; V47-L51 PolarHBondContact O-N 3.14Å; V47-R94 HydrophobicContact CG1-CB 3.95Å; V47-R94 WeakPolarHBondContact CG1-O 3.48Å; V47-L98 HydrophobicContact CB-CD2 3.74Å; V47-L98 HydrophobicContact CB-CG 4.48Å; V47-L98 HydrophobicContact CG1-CD1 4.46Å; V47-L98 HydrophobicContact CG1-CD2 3.5Å; V47-L98 VanDerWaalsContact CG1-CD2 3.5Å; V47-L98 HydrophobicContact CG1-CG 3.7Å
48R82.9Confident76.3Confident69 Ų6983.7 Ų83.726%0.2640%0.404SS..Hα-helixtrans-61.3-40.5174.4-72.6179.4-175125.55.3112.1L44 L51 K52 L53 L98 E102L44-R48 WeakPolarHBondContact O-CB 3.27Å; L44-R48 VanDerWaalsContact O-CG 3.3Å; L44-R48 WeakPolarHBondContact O-CG 3.49Å; L44-R48 PolarHBondContact O-N 3.49Å; R48-L51 PolarHBondContact O-N 3.14Å; R48-K52 PolarHBondContact O-N 2.75Å; R48-L53 HydrophobicContact CB-CB 4.41Å; R48-L53 PolarHBondContact O-N 2.79Å; R48-L98 HydrophobicContact CG-CD1 4.45Å; R48-L98 HydrophobicContact CG-CD2 3.79Å; R48-E102 IonicContact NH2-OE2 3.23Å; R48-E102 PolarHBondContact NH2-OE2 2.9Å
49K79.8Confident73.9Confident136 Ų13683.2 Ų83.259%0.59141%0.41SS*.Hα-helixtrans-62.6-43.4174.1-76.3-176176.3-1650112R45 R46 V47 L51 K52R45-K49 WeakPolarHBondContact O-CG 3.23Å; R45-K49 PolarHBondContact O-N 2.98Å; R45-K49 VanDerWaalsContact O-N 3.07Å; R46-K49 PolarHBondContact O-N 3.41Å; V47-K49 VanDerWaalsContact C-N 3.33Å; V47-K49 PolarHBondContact O-N 3.47Å; K49-L51 VanDerWaalsContact C-N 3.3Å; K49-L51 PolarHBondContact O-N 3.45Å; K49-K52 PolarHBondContact O-N 3.19Å; K49-K52 VanDerWaalsContact O-N 3.11Å
50S78Confident71.2Confident55 Ų5593.7 Ų93.739%0.38545%0.45SS..Hα-helixtrans-69.5-27.9-179.8730000113.3R46 V47 K52R46-S50 PolarHBondContact O-N 3.18Å; V47-S50 PolarHBondContact O-N 3.18Å; V47-S50 PolarHBondContact O-OG 3.09Å; S50-K52 VanDerWaalsContact C-N 3.29Å
51L74.6Confident68.4Low23 Ų2398.1 Ų98.112%0.1248%0.481CS..THydrogen-bonded Turntrans-84.53.8172.4-68.5172.7000113.6V47 R48 K49 L53 A91 R94 Y95 L98V47-L51 HydrophobicContact CG1-CD1 3.96Å; V47-L51 HydrophobicContact CG1-CG 4.49Å; V47-L51 WeakPolarHBondContact O-CG 3.48Å; V47-L51 PolarHBondContact O-N 3.14Å; R48-L51 PolarHBondContact O-N 3.14Å; K49-L51 VanDerWaalsContact C-N 3.3Å; K49-L51 PolarHBondContact O-N 3.45Å; L51-L53 HydrophobicContact CB-CD1 4Å; L51-L53 HydrophobicContact CB-CG 3.99Å; L51-L53 HydrophobicContact CD1-CD1 4.19Å; L51-L53 PolarHBondContact O-N 3.36Å; L51-L53 VanDerWaalsContact O-N 3.09Å; L51-A91 HydrophobicContact CD2-CB 4.13Å; L51-R94 HydrophobicContact CD1-CB 4.08Å; L51-R94 HydrophobicContact CD2-CB 3.94Å; L51-R94 HydrophobicContact CG-CB 4.13Å; L51-Y95 HydrophobicContact CD1-CD1 3.96Å; L51-Y95 HydrophobicContact CD1-CD2 4.33Å; L51-Y95 HydrophobicContact CD1-CE1 3.96Å; L51-Y95 HydrophobicContact CD1-CE2 4.3Å; L51-Y95 HydrophobicContact CD1-CG 4.14Å; L51-Y95 HydrophobicContact CD2-CD2 4.14Å; L51-Y95 HydrophobicContact CD2-CE2 3.78Å; L51-L98 HydrophobicContact CD1-CD1 3.66Å; L51-L98 HydrophobicContact CD1-CG 4.3Å
52K73Confident65.8Low192 Ų19299.3 Ų99.384%0.83549%0.486SS*.THydrogen-bonded Turntrans5719-174-55.3-179.6-179.7178.70114.3R48 K49 S50 S54R48-K52 PolarHBondContact O-N 2.75Å; K49-K52 PolarHBondContact O-N 3.19Å; K49-K52 VanDerWaalsContact O-N 3.11Å; S50-K52 VanDerWaalsContact C-N 3.29Å; K52-S54 PolarHBondContact O-N 3.23Å; K52-S54 VanDerWaalsContact O-N 3.12Å
53L63.6Low63Low72 Ų72104 Ų10438%0.37750%0.504SS..  trans-83.732.8171.5-59.9173.4000111.2R48 L51 I55 Y95 L98R48-L53 HydrophobicContact CB-CB 4.41Å; R48-L53 PolarHBondContact O-N 2.79Å; L51-L53 HydrophobicContact CB-CD1 4Å; L51-L53 HydrophobicContact CB-CG 3.99Å; L51-L53 HydrophobicContact CD1-CD1 4.19Å; L51-L53 PolarHBondContact O-N 3.36Å; L51-L53 VanDerWaalsContact O-N 3.09Å; L53-I55 PolarHBondContact O-N 3.34Å; L53-Y95 HydrophobicContact CD1-CE1 3.81Å; L53-L98 HydrophobicContact CD1-CD1 4.23Å
54S53.3Low60.3Low80 Ų80110.1 Ų110.156%0.55953%0.531SS*.  trans-61.1130.5-177.4-171.70000109.4K52 G56K52-S54 PolarHBondContact O-N 3.23Å; K52-S54 VanDerWaalsContact O-N 3.12Å; S54-G56 PolarHBondContact O-N 3.49Å
55I53.6Low57.8Low94 Ų94113.9 Ų113.948%0.48256%0.557SS.*  trans-61.5104.6173.8-61.8161.3000106.2L53 V62L53-I55 PolarHBondContact O-N 3.34Å; I55-V62 HydrophobicContact CG1-CG1 4.48Å
56G45.8Very low55.3Low47 Ų47111.2 Ų111.249%0.48556%0.558SS.*  trans-53.8151.1161.800000108.8S54 D58S54-G56 PolarHBondContact O-N 3.49Å; G56-D58 PolarHBondContact O-N 3.01Å
57Q43.6Very low53.2Low200 Ų200106 Ų10694%0.93554%0.543SS*.SBendtrans-54.3-11.8-172.3-76.9170.2-65.800115S59Q57-S59 PolarHBondContact O-N 3.45Å
58D39.3Very low50.9Low136 Ų136109.3 Ų109.373%0.72756%0.56SS**  trans-74.370.9169.2-71.4-26000113.5G56 R60 S61G56-D58 PolarHBondContact O-N 3.01Å; D58-R60 PolarHBondContact O-N 3.4Å; D58-S61 PolarHBondContact O-N 3.14Å
59S45.5Very low48.9Very low79 Ų79107.4 Ų107.455%0.55256%0.556SS**THydrogen-bonded Turntrans-48.8-19.6177.1172.20000116Q57Q57-S59 PolarHBondContact O-N 3.45Å
60R41Very low46.9Very low240 Ų240104.4 Ų104.491%0.90656%0.557SS**THydrogen-bonded Turntrans-87.9-27.2-174.5-74.2-177.9-176.21632.1115D58D58-R60 PolarHBondContact O-N 3.4Å
61S34.5Very low45.2Very low93 Ų93109 Ų10965%0.6557%0.57SS**THydrogen-bonded Turntrans-87.3-31.9-172.8-173.80000113.6D58 R63 K64D58-S61 PolarHBondContact O-N 3.14Å; S61-R63 PolarHBondContact O-N 3.27Å; S61-K64 PolarHBondContact O-N 3.07Å
62V39.3Very low43.8Very low60 Ų60110.1 Ų110.136%0.36458%0.576SS.*G310 helixtrans-80-9.9-168.1-173.60000114.4I55 K64 S65I55-V62 HydrophobicContact CG1-CG1 4.48Å; V62-K64 PolarHBondContact O-N 3.13Å; V62-S65 PolarHBondContact O-N 3.14Å
63R36.3Very low42.1Very low229 Ų229107.6 Ų107.686%0.86457%0.567SS**G310 helixtrans-60-11.4171.1-73-174.1-177.4159.22.6113.2S61S61-R63 PolarHBondContact O-N 3.27Å
64K35.5Very low41Very low186 Ų186109.8 Ų109.881%0.80958%0.579SS**G310 helixtrans-115.47.7-179.2-70.6-175.1178.4-1790114.9S61 V62 T66S61-K64 PolarHBondContact O-N 3.07Å; V62-K64 PolarHBondContact O-N 3.13Å; K64-T66 PolarHBondContact O-N 3.12Å
65S35.6Very low40.4Very low78 Ų78111 Ų11155%0.54559%0.585SS.*  trans-71.783.8164.8710000107.4V62 V67V62-S65 PolarHBondContact O-N 3.14Å; S65-V67 PolarHBondContact O-N 2.92Å; S65-V67 VanDerWaalsContact O-N 3.17Å
66T33.7Very low39.8Very low102 Ų102116.3 Ų116.363%0.62661%0.605SS**  trans-40.8122.5141.843.40000105.1K64 D68K64-T66 PolarHBondContact O-N 3.12Å; T66-D68 PolarHBondContact O-N 3.31Å; T66-D68 PolarHBondContact OG1-OD1 3.43Å
67V44.3Very low39.5Very low43 Ų43121 Ų12126%0.26162%0.618SS.*  trans-64.493.9168.9176.70000103.3S65 V69 I72 Y95 F99S65-V67 PolarHBondContact O-N 2.92Å; S65-V67 VanDerWaalsContact O-N 3.17Å; V67-V69 PolarHBondContact O-N 2.93Å; V67-I72 HydrophobicContact CG1-CD1 4.41Å; V67-Y95 HydrophobicContact CG1-CD1 3.97Å; V67-Y95 HydrophobicContact CG1-CE1 3.87Å; V67-F99 HydrophobicContact CB-CZ 4.17Å; V67-F99 HydrophobicContact CG2-CZ 4.31Å
68D35.8Very low39.1Very low81 Ų81115 Ų11543%0.43360%0.602SS.*  trans-62.1111.1176.7-65.3-27.6000105.4T66 A70 K71T66-D68 PolarHBondContact O-N 3.31Å; T66-D68 PolarHBondContact OG1-OD1 3.43Å; D68-A70 PolarHBondContact O-N 3.3Å; D68-K71 PolarHBondContact O-N 2.86Å
69V41.2Very low38.8Very low29 Ų29116.8 Ų116.818%0.17661%0.611CS.*G310 helixtrans-50.2-30.7177.3178.10000110.5V67 K71 I72 I144 M148V67-V69 PolarHBondContact O-N 2.93Å; V69-K71 VanDerWaalsContact C-N 3.25Å; V69-K71 PolarHBondContact O-N 3.42Å; V69-I72 WeakPolarHBondContact O-CB 3.46Å; V69-I72 PolarHBondContact O-N 2.92Å; V69-I144 HydrophobicContact CG2-CD1 4.23Å; V69-I144 HydrophobicContact CG2-CG1 3.72Å; V69-I144 HydrophobicContact CG2-CG2 4.49Å; V69-M148 HydrophobicContact CG1-CE 3.36Å
70A36.9Very low38.4Very low73 Ų73117.2 Ų117.260%0.60361%0.61SS**G310 helixtrans-54.1-32.3174.300000114.7D68 I72 Q73D68-A70 PolarHBondContact O-N 3.3Å; A70-I72 VanDerWaalsContact C-N 3.33Å; A70-I72 PolarHBondContact O-N 3.35Å; A70-Q73 PolarHBondContact O-N 3.36Å
71K42.1Very low38.2Very low151 Ų151112.4 Ų112.466%0.65760%0.596SS**G310 helixtrans-77.9-15.9178.2-68.5-173.2-178.7179.20113.9D68 V69D68-K71 PolarHBondContact O-N 2.86Å; V69-K71 VanDerWaalsContact C-N 3.25Å; V69-K71 PolarHBondContact O-N 3.42Å
72I45.3Very low38.6Very low47 Ų47114 Ų11424%0.24160%0.598CS.*G310 helixtrans-75.4-22.4172.6-60.5174.5000109.7V67 V69 A70 Y95V67-I72 HydrophobicContact CG1-CD1 4.41Å; V69-I72 WeakPolarHBondContact O-CB 3.46Å; V69-I72 PolarHBondContact O-N 2.92Å; A70-I72 VanDerWaalsContact C-N 3.33Å; A70-I72 PolarHBondContact O-N 3.35Å; I72-Y95 HydrophobicContact CD1-CD1 4.33Å; I72-Y95 HydrophobicContact CD1-CD2 4.16Å; I72-Y95 HydrophobicContact CD1-CE2 4.42Å; I72-Y95 HydrophobicContact CD1-CG 4.15Å; I72-Y95 HydrophobicContact CG1-CD2 4.43Å; I72-Y95 HydrophobicContact CG1-CE2 4.22Å
73Q38.6Very low38.4Very low139 Ų139119.5 Ų119.565%0.6561%0.613SS**G310 helixtrans-96.611.1-172.8-143.31473.400113.9A70 P75A70-Q73 PolarHBondContact O-N 3.36Å; Q73-P75 WeakPolarHBondContact O-CD 3.31Å; Q73-P75 WeakPolarHBondContact O-CG 3.35Å
74D39.1Very low38.8Very low119 Ų119110 Ų11064%0.63658%0.583SS**  trans-61.1104.5174.4-78.4-29.8000110.1K76D74-K76 PolarHBondContact O-N 3.16Å; D74-K76 VanDerWaalsContact O-N 3.14Å
75P41.5Very low39.2Very low106 Ų106104.7 Ų104.769%0.68857%0.566SS**THydrogen-bonded Turntrans-81.28.5-173.9-6.225.7000112.8Q73 L77Q73-P75 WeakPolarHBondContact O-CD 3.31Å; Q73-P75 WeakPolarHBondContact O-CG 3.35Å; P75-L77 PolarHBondContact O-N 2.85Å
76K42Very low39.3Very low205 Ų205105.5 Ų105.589%0.89156%0.564SS**THydrogen-bonded Turntrans-79.15.2-172.4-79.6-172.3177.3179.50115D74D74-K76 PolarHBondContact O-N 3.16Å; D74-K76 VanDerWaalsContact O-N 3.14Å
77L37.6Very low40Very low145 Ų145107.3 Ų107.376%0.75956%0.563SS**  trans-109.152167.5-10291.4000111.6P75 A84P75-L77 PolarHBondContact O-N 2.85Å; L77-A84 WeakPolarHBondContact O-CB 3.44Å
78A36.1Very low40.8Very low73 Ų73108.3 Ų108.360%0.60357%0.572SS**  trans-92.93.1-176.400000115.8
79L33.8Very low41.8Very low174 Ų174107.4 Ų107.491%0.91157%0.567SS**SBendtrans-102.821.1-174.1-77.8166.6000115.9
80T36.6Very low42.8Very low89 Ų89110 Ų11055%0.54658%0.58SS.*  trans-141.579.3166.5-38.60000109.9N82 Y83 A84T80-N82 VanDerWaalsContact C-N 3.33Å; T80-N82 PolarHBondContact O-N 3.06Å; T80-N82 VanDerWaalsContact O-N 3.14Å; T80-Y83 HydrophobicContact CG2-CD2 4.4Å; T80-Y83 PolarHBondContact O-N 2.87Å; T80-A84 VanDerWaalsContact O-CB 3.28Å; T80-A84 WeakPolarHBondContact O-CB 3.33Å; T80-A84 PolarHBondContact O-N 2.91Å
81F35.7Very low44.3Very low138 Ų138107.2 Ų107.261%0.60556%0.557SS**Hα-helixtrans-54.1-36.4-160.3-148.8-103.8000115.3L3 V85L3-F81 HydrophobicContact CD2-CE1 3.68Å; L3-F81 HydrophobicContact CD2-CZ 4.3Å; L3-F81 HydrophobicContact CG-CE1 4.5Å; F81-V85 WeakPolarHBondContact O-CG2 3.19Å
82N42.8Very low45.6Very low128 Ų128101 Ų10168%0.68453%0.529SS*.Hα-helixtrans-87.9-33.9-178.9-67.7-13000113.6T80T80-N82 VanDerWaalsContact C-N 3.33Å; T80-N82 PolarHBondContact O-N 3.06Å; T80-N82 VanDerWaalsContact O-N 3.14Å
83Y36Very low47.2Very low175 Ų175102 Ų10269%0.68653%0.533SS*.Hα-helixtrans-81.4-32178.5-85.3-86.7000112.6T80 F87T80-Y83 HydrophobicContact CG2-CD2 4.4Å; T80-Y83 PolarHBondContact O-N 2.87Å; Y83-F87 WeakPolarHBondContact O-CA 3.25Å; Y83-F87 WeakPolarHBondContact O-CB 3.47Å; Y83-F87 PolarHBondContact O-N 2.82Å
84A44.5Very low49.3Very low29 Ų2999.9 Ų99.924%0.2452%0.519CS..Hα-helixtrans-68.6-39.4179.900000112.4L77 T80 S88L77-A84 WeakPolarHBondContact O-CB 3.44Å; T80-A84 VanDerWaalsContact O-CB 3.28Å; T80-A84 WeakPolarHBondContact O-CB 3.33Å; T80-A84 PolarHBondContact O-N 2.91Å; A84-S88 WeakPolarHBondContact O-CB 3.36Å; A84-S88 PolarHBondContact O-N 3.06Å
85V43.3Very low51.3Low74 Ų7496 Ų9645%0.44850%0.496SS..Hα-helixtrans-68.9-48.2176.5177.30000110.7F81 F87 S88 L89F81-V85 WeakPolarHBondContact O-CG2 3.19Å; V85-F87 VanDerWaalsContact C-N 3.33Å; V85-F87 PolarHBondContact O-N 2.8Å; V85-S88 WeakPolarHBondContact O-CB 3.35Å; V85-S88 PolarHBondContact O-N 3.18Å; V85-L89 HydrophobicContact CG1-CD1 4.06Å; V85-L89 HydrophobicContact CG1-CG 4.44Å; V85-L89 WeakPolarHBondContact O-CG 3.47Å; V85-L89 PolarHBondContact O-N 3.05Å
86L38.1Very low53.4Low96 Ų9691 Ų9150%0.50346%0.464SS..Hα-helixtrans-61.9-41.3175.8-17665.3000111.7L90L86-L90 HydrophobicContact CD1-CD1 4.18Å; L86-L90 HydrophobicContact CD1-CG 4.29Å; L86-L90 HydrophobicContact CG-CD1 3.9Å; L86-L90 HydrophobicContact CG-CG 4.41Å; L86-L90 VanDerWaalsContact O-CB 3.23Å; L86-L90 WeakPolarHBondContact O-CB 3.43Å; L86-L90 WeakPolarHBondContact O-CG 3.49Å; L86-L90 PolarHBondContact O-N 3.33Å
87F48.8Very low55.5Low139 Ų13981.6 Ų81.661%0.6142%0.423SS*.Hα-helixtrans-64.9-39.5174.5-177.4-96.3000111.7Y83 V85 A91Y83-F87 WeakPolarHBondContact O-CA 3.25Å; Y83-F87 WeakPolarHBondContact O-CB 3.47Å; Y83-F87 PolarHBondContact O-N 2.82Å; V85-F87 VanDerWaalsContact C-N 3.33Å; V85-F87 PolarHBondContact O-N 2.8Å; F87-A91 WeakPolarHBondContact O-CA 3.29Å; F87-A91 WeakPolarHBondContact O-CB 3.46Å; F87-A91 PolarHBondContact O-N 3.24Å
88S61.1Low57.9Low64 Ų6475.2 Ų75.245%0.44839%0.39SS..Hα-helixtrans-64-47.8175.7-1750000111.5A84 V85 A91 F92A84-S88 WeakPolarHBondContact O-CB 3.36Å; A84-S88 PolarHBondContact O-N 3.06Å; V85-S88 WeakPolarHBondContact O-CB 3.35Å; V85-S88 PolarHBondContact O-N 3.18Å; S88-A91 PolarHBondContact O-N 3.43Å; S88-F92 VanDerWaalsContact O-CB 3.27Å; S88-F92 WeakPolarHBondContact O-CB 3.4Å; S88-F92 PolarHBondContact O-N 3.46Å
89L57.4Low60.5Low63 Ų6373 Ų7333%0.3337%0.367SS..Hα-helixtrans-64.2-45.2176.6-69.1173.1000112.1V85 F92 H93V85-L89 HydrophobicContact CG1-CD1 4.06Å; V85-L89 HydrophobicContact CG1-CG 4.44Å; V85-L89 WeakPolarHBondContact O-CG 3.47Å; V85-L89 PolarHBondContact O-N 3.05Å; L89-F92 WeakPolarHBondContact O-CB 3.26Å; L89-F92 PolarHBondContact O-N 3.02Å; L89-H93 PolarHBondContact O-N 3.08Å
90L60.9Low63.3Low84 Ų8464.8 Ų64.844%0.4432%0.324SS..Hα-helixtrans-66.4-38.4176.1-73.6172.8000112.3L86 F92 R94L86-L90 HydrophobicContact CD1-CD1 4.18Å; L86-L90 HydrophobicContact CD1-CG 4.29Å; L86-L90 HydrophobicContact CG-CD1 3.9Å; L86-L90 HydrophobicContact CG-CG 4.41Å; L86-L90 VanDerWaalsContact O-CB 3.23Å; L86-L90 WeakPolarHBondContact O-CB 3.43Å; L86-L90 WeakPolarHBondContact O-CG 3.49Å; L86-L90 PolarHBondContact O-N 3.33Å; L90-F92 VanDerWaalsContact C-N 3.29Å; L90-R94 WeakPolarHBondContact O-CD 3.46Å; L90-R94 WeakPolarHBondContact O-CG 3.4Å; L90-R94 PolarHBondContact O-N 3.41Å; L90-R94 VanDerWaalsContact O-N 3.16Å
91A68.4Low66Low14 Ų1460.7 Ų60.712%0.11630%0.298CS..Hα-helixtrans-62.7-41.317200000109.9L51 F87 S88 R94 Y95L51-A91 HydrophobicContact CD2-CB 4.13Å; F87-A91 WeakPolarHBondContact O-CA 3.29Å; F87-A91 WeakPolarHBondContact O-CB 3.46Å; F87-A91 PolarHBondContact O-N 3.24Å; S88-A91 PolarHBondContact O-N 3.43Å; A91-R94 CarbonylContact O-C 3.53Å; A91-R94 WeakPolarHBondContact O-CA 3.48Å; A91-R94 WeakPolarHBondContact O-CB 3.47Å; A91-R94 PolarHBondContact O-N 3.04Å; A91-Y95 HydrophobicContact CB-CD2 4.42Å; A91-Y95 HydrophobicContact CB-CE2 4.3Å; A91-Y95 WeakPolarHBondContact O-CD2 3.42Å; A91-Y95 PolarHBondContact O-N 2.94Å
92F71Confident68.8Low19 Ų1955.3 Ų55.38%0.08328%0.275CS..Hα-helixtrans-64.8-47.8179.5-174-95.6000112.9S88 L89 L90 R94 Y95 L96 M148 L151S88-F92 VanDerWaalsContact O-CB 3.27Å; S88-F92 WeakPolarHBondContact O-CB 3.4Å; S88-F92 PolarHBondContact O-N 3.46Å; L89-F92 WeakPolarHBondContact O-CB 3.26Å; L89-F92 PolarHBondContact O-N 3.02Å; L90-F92 VanDerWaalsContact C-N 3.29Å; F92-R94 PolarHBondContact O-N 2.93Å; F92-Y95 CarbonylContact O-C 3.6Å; F92-Y95 WeakPolarHBondContact O-CA 3.46Å; F92-Y95 WeakPolarHBondContact O-CB 3.44Å; F92-Y95 PolarHBondContact O-N 3.1Å; F92-L96 HydrophobicContact CD1-CD1 4.01Å; F92-L96 HydrophobicContact CD1-CG 4.13Å; F92-L96 HydrophobicContact CE1-CD1 3.25Å; F92-L96 HydrophobicContact CE1-CD2 3.96Å; F92-L96 HydrophobicContact CE1-CG 3.48Å; F92-L96 VanDerWaalsContact CE1-CG 3.48Å; F92-L96 HydrophobicContact CE2-CD2 4.42Å; F92-L96 HydrophobicContact CE2-CG 4.49Å; F92-L96 HydrophobicContact CZ-CD1 3.84Å; F92-L96 HydrophobicContact CZ-CD2 3.64Å; F92-L96 HydrophobicContact CZ-CG 3.68Å; F92-L96 PolarHBondContact O-N 3.1Å; F92-M148 HydrophobicContact CE2-CE 4.39Å; F92-M148 HydrophobicContact CE2-CG 4.13Å; F92-M148 HydrophobicContact CE2-SD 4.37Å; F92-M148 HydrophobicContact CZ-CG 4.39Å; F92-L151 HydrophobicContact CD1-CD2 3.86Å; F92-L151 HydrophobicContact CE1-CD1 3.89Å; F92-L151 HydrophobicContact CE1-CD2 3.14Å; F92-L151 HydrophobicContact CE1-CG 4.11Å; F92-L151 HydrophobicContact CE2-CD2 4.49Å; F92-L151 HydrophobicContact CZ-CD1 3.58Å; F92-L151 HydrophobicContact CZ-CD2 3.55Å; F92-L151 HydrophobicContact CZ-CG 4.09Å
93H78.2Confident71.2Confident70 Ų7049.3 Ų49.332%0.32424%0.243SC..Hα-helixtrans-53.9-42.2171.6176-79.1000111.2I13 L89 S97I13-H93 HydrophobicContact CD1-CB 3.8Å; L89-H93 PolarHBondContact O-N 3.08Å; H93-S97 WeakPolarHBondContact O-CB 3.48Å; H93-S97 PolarHBondContact O-N 3.31Å
94R82.1Confident74.1Confident94 Ų9441 Ų4136%0.35521%0.21SC..Hα-helixtrans-64.6-39.7175.2-70.6168.5-173.4-168.75.5111.8V47 L51 L90 A91 F92 S97 L98V47-R94 HydrophobicContact CG1-CB 3.95Å; V47-R94 WeakPolarHBondContact CG1-O 3.48Å; L51-R94 HydrophobicContact CD1-CB 4.08Å; L51-R94 HydrophobicContact CD2-CB 3.94Å; L51-R94 HydrophobicContact CG-CB 4.13Å; L90-R94 WeakPolarHBondContact O-CD 3.46Å; L90-R94 WeakPolarHBondContact O-CG 3.4Å; L90-R94 PolarHBondContact O-N 3.41Å; L90-R94 VanDerWaalsContact O-N 3.16Å; A91-R94 CarbonylContact O-C 3.53Å; A91-R94 WeakPolarHBondContact O-CA 3.48Å; A91-R94 WeakPolarHBondContact O-CB 3.47Å; A91-R94 PolarHBondContact O-N 3.04Å; F92-R94 PolarHBondContact O-N 2.93Å; R94-S97 PolarHBondContact O-N 3.16Å; R94-S97 PolarHBondContact O-OG 2.99Å; R94-L98 PolarHBondContact O-N 3.43Å; R94-L98 VanDerWaalsContact O-N 3.16Å
95Y81.1Confident76.6Confident36 Ų3642.7 Ų42.714%0.14121%0.211CC..Hα-helixtrans-63.8-48.1175.3-82.4-71.7000112.5L51 L53 V67 I72 A91 F92 S97 L98 F99L51-Y95 HydrophobicContact CD1-CD1 3.96Å; L51-Y95 HydrophobicContact CD1-CD2 4.33Å; L51-Y95 HydrophobicContact CD1-CE1 3.96Å; L51-Y95 HydrophobicContact CD1-CE2 4.3Å; L51-Y95 HydrophobicContact CD1-CG 4.14Å; L51-Y95 HydrophobicContact CD2-CD2 4.14Å; L51-Y95 HydrophobicContact CD2-CE2 3.78Å; L53-Y95 HydrophobicContact CD1-CE1 3.81Å; V67-Y95 HydrophobicContact CG1-CD1 3.97Å; V67-Y95 HydrophobicContact CG1-CE1 3.87Å; I72-Y95 HydrophobicContact CD1-CD1 4.33Å; I72-Y95 HydrophobicContact CD1-CD2 4.16Å; I72-Y95 HydrophobicContact CD1-CE2 4.42Å; I72-Y95 HydrophobicContact CD1-CG 4.15Å; I72-Y95 HydrophobicContact CG1-CD2 4.43Å; I72-Y95 HydrophobicContact CG1-CE2 4.22Å; A91-Y95 HydrophobicContact CB-CD2 4.42Å; A91-Y95 HydrophobicContact CB-CE2 4.3Å; A91-Y95 WeakPolarHBondContact O-CD2 3.42Å; A91-Y95 PolarHBondContact O-N 2.94Å; F92-Y95 CarbonylContact O-C 3.6Å; F92-Y95 WeakPolarHBondContact O-CA 3.46Å; F92-Y95 WeakPolarHBondContact O-CB 3.44Å; F92-Y95 PolarHBondContact O-N 3.1Å; Y95-S97 VanDerWaalsContact C-N 3.28Å; Y95-S97 PolarHBondContact O-N 2.89Å; Y95-L98 HydrophobicContact CD1-CD1 4.28Å; Y95-L98 VanDerWaalsContact O-CB 3.3Å; Y95-L98 WeakPolarHBondContact O-CB 3.39Å; Y95-L98 PolarHBondContact O-N 3.4Å; Y95-F99 WeakPolarHBondContact O-CD2 3.49Å
96L85.3Confident79.1Confident3 Ų339.4 Ų39.42%0.01619%0.191CC..Hα-helixtrans-58.5-42.8174.8-68.3-175.9000111.3I13 F92 L98 F99 V100 L141 C145I13-L96 HydrophobicContact CD1-CD1 3.78Å; F92-L96 HydrophobicContact CD1-CD1 4.01Å; F92-L96 HydrophobicContact CD1-CG 4.13Å; F92-L96 HydrophobicContact CE1-CD1 3.25Å; F92-L96 HydrophobicContact CE1-CD2 3.96Å; F92-L96 HydrophobicContact CE1-CG 3.48Å; F92-L96 VanDerWaalsContact CE1-CG 3.48Å; F92-L96 HydrophobicContact CE2-CD2 4.42Å; F92-L96 HydrophobicContact CE2-CG 4.49Å; F92-L96 HydrophobicContact CZ-CD1 3.84Å; F92-L96 HydrophobicContact CZ-CD2 3.64Å; F92-L96 HydrophobicContact CZ-CG 3.68Å; F92-L96 PolarHBondContact O-N 3.1Å; L96-L98 PolarHBondContact O-N 3.09Å; L96-L98 VanDerWaalsContact O-N 3.17Å; L96-F99 PolarHBondContact O-N 3.1Å; L96-V100 WeakPolarHBondContact O-CG2 3.32Å; L96-V100 PolarHBondContact O-N 3.5Å; L96-L141 HydrophobicContact CB-CD1 4.38Å; L96-L141 HydrophobicContact CD2-CD1 3.32Å; L96-L141 HydrophobicContact CG-CD1 4.41Å; L96-C145 VanDerWaalsContact CD2-SG 3.54Å
97S87.3Confident82Confident6 Ų635.6 Ų35.64%0.04217%0.17CC..Hα-helixtrans-59.3-29.2176.783.20000112.9H93 R94 Y95 F101H93-S97 WeakPolarHBondContact O-CB 3.48Å; H93-S97 PolarHBondContact O-N 3.31Å; R94-S97 PolarHBondContact O-N 3.16Å; R94-S97 PolarHBondContact O-OG 2.99Å; Y95-S97 VanDerWaalsContact C-N 3.28Å; Y95-S97 PolarHBondContact O-N 2.89Å; S97-F101 WeakPolarHBondContact O-CB 3.4Å; S97-F101 WeakPolarHBondContact O-CD2 3.03Å; S97-F101 PolarHBondContact O-N 3.07Å
98L87.7Confident84.2Confident12 Ų1229 Ų296%0.06314%0.141CC..Hα-helixtrans-64.1-44.9174.7-71.1177.2000111.7L44 V47 R48 L51 L53 R94 Y95 L96 E102L44-L98 HydrophobicContact CD2-CB 4.48Å; L44-L98 HydrophobicContact CD2-CD2 3.86Å; L44-L98 VanDerWaalsContact CD2-O 3.29Å; L44-L98 WeakPolarHBondContact CD2-O 3.21Å; V47-L98 HydrophobicContact CB-CD2 3.74Å; V47-L98 HydrophobicContact CB-CG 4.48Å; V47-L98 HydrophobicContact CG1-CD1 4.46Å; V47-L98 HydrophobicContact CG1-CD2 3.5Å; V47-L98 VanDerWaalsContact CG1-CD2 3.5Å; V47-L98 HydrophobicContact CG1-CG 3.7Å; R48-L98 HydrophobicContact CG-CD1 4.45Å; R48-L98 HydrophobicContact CG-CD2 3.79Å; L51-L98 HydrophobicContact CD1-CD1 3.66Å; L51-L98 HydrophobicContact CD1-CG 4.3Å; L53-L98 HydrophobicContact CD1-CD1 4.23Å; R94-L98 PolarHBondContact O-N 3.43Å; R94-L98 VanDerWaalsContact O-N 3.16Å; Y95-L98 HydrophobicContact CD1-CD1 4.28Å; Y95-L98 VanDerWaalsContact O-CB 3.3Å; Y95-L98 WeakPolarHBondContact O-CB 3.39Å; Y95-L98 PolarHBondContact O-N 3.4Å; L96-L98 PolarHBondContact O-N 3.09Å; L96-L98 VanDerWaalsContact O-N 3.17Å; L98-E102 WeakPolarHBondContact O-CB 3.09Å; L98-E102 PolarHBondContact O-N 3.18Å
99F89.9Confident85.9Confident27 Ų2728.9 Ų28.912%0.11813%0.131CC..Hα-helixtrans-69.7-44.4179.6-72.8-82000111.6V67 Y95 L96 E102 A103 N140 L141 I144V67-F99 HydrophobicContact CB-CZ 4.17Å; V67-F99 HydrophobicContact CG2-CZ 4.31Å; Y95-F99 WeakPolarHBondContact O-CD2 3.49Å; L96-F99 PolarHBondContact O-N 3.1Å; F99-E102 PolarHBondContact O-N 3.29Å; F99-A103 WeakPolarHBondContact O-CB 3.37Å; F99-A103 PolarHBondContact O-N 2.86Å; F99-N140 HydrophobicContact CD1-CB 4.25Å; F99-N140 HydrophobicContact CE1-CB 3.97Å; F99-L141 HydrophobicContact CB-CB 3.95Å; F99-L141 HydrophobicContact CB-CD1 3.86Å; F99-L141 HydrophobicContact CB-CD2 4.38Å; F99-L141 HydrophobicContact CB-CG 4.28Å; F99-L141 HydrophobicContact CD2-CD1 4.42Å; F99-L141 HydrophobicContact CG-CB 4.39Å; F99-L141 HydrophobicContact CG-CD1 4.35Å; F99-I144 HydrophobicContact CD2-CD1 4.21Å; F99-I144 HydrophobicContact CE1-CD1 4.01Å; F99-I144 HydrophobicContact CE2-CD1 3.38Å; F99-I144 HydrophobicContact CZ-CD1 3.27Å
100V92.5Very high87.7Confident1 Ų125.9 Ų25.91%0.00612%0.115CC..Hα-helixtrans-59.2-54.9178.1175.20000110.6I15 V19 L96 E102 A103 D104 L141I15-V100 HydrophobicContact CD1-CG2 4.4Å; I15-V100 HydrophobicContact CG2-CG1 4.05Å; I15-V100 HydrophobicContact CG2-CG2 3.84Å; V19-V100 HydrophobicContact CG2-CG1 3.33Å; L96-V100 WeakPolarHBondContact O-CG2 3.32Å; L96-V100 PolarHBondContact O-N 3.5Å; V100-E102 VanDerWaalsContact C-N 3.31Å; V100-E102 PolarHBondContact O-N 3.46Å; V100-A103 WeakPolarHBondContact O-CB 3.49Å; V100-A103 PolarHBondContact O-N 3.18Å; V100-D104 PolarHBondContact O-N 3.4Å; V100-L141 HydrophobicContact CG2-CD2 3.58Å
101F94.8Very high89.3Confident2 Ų222.7 Ų22.71%0.00910%0.098CC..Hα-helixtrans-71.9-21.9-178.9-73-64.9000113.6L18 A22 Y39 K43 L44 S97 R105L18-F101 HydrophobicContact CD1-CE2 4.31Å; L18-F101 HydrophobicContact CD1-CZ 4.1Å; L18-F101 HydrophobicContact CD2-CE2 4.11Å; L18-F101 HydrophobicContact CD2-CZ 4.38Å; L18-F101 HydrophobicContact CG-CE2 4.21Å; L18-F101 HydrophobicContact CG-CZ 4Å; A22-F101 HydrophobicContact CB-CE1 3.81Å; A22-F101 HydrophobicContact CB-CZ 4.23Å; Y39-F101 HydrophobicContact CE1-CD1 4.49Å; Y39-F101 HydrophobicContact CE1-CE1 4.04Å; K43-F101 HydrophobicContact CD-CE2 4.4Å; K43-F101 HydrophobicContact CG-CD1 4.48Å; K43-F101 HydrophobicContact CG-CD2 3.77Å; K43-F101 HydrophobicContact CG-CE2 3.95Å; K43-F101 HydrophobicContact CG-CG 4.09Å; K43-F101 HydrophobicContact CG-CZ 4.38Å; L44-F101 HydrophobicContact CD2-CB 3.91Å; L44-F101 HydrophobicContact CG-CB 4.08Å; S97-F101 WeakPolarHBondContact O-CB 3.4Å; S97-F101 WeakPolarHBondContact O-CD2 3.03Å; S97-F101 PolarHBondContact O-N 3.07Å; F101-R105 WeakPolarHBondContact O-CB 3.42Å; F101-R105 PolarHBondContact O-N 3.47Å
102E92.8Very high90.6Very high26 Ų2622.5 Ų22.512%0.12110%0.095CC..Hα-helixtrans-74.9-39.4171.7-17667.5-128.800110.7L44 R48 L98 F99 V100 R105 N106 N137L44-E102 HydrophobicContact CD1-CB 4.25Å; L44-E102 WeakPolarHBondContact CD1-OE2 3.1Å; L44-E102 HydrophobicContact CD2-CB 4.16Å; R48-E102 IonicContact NH2-OE2 3.23Å; R48-E102 PolarHBondContact NH2-OE2 2.9Å; L98-E102 WeakPolarHBondContact O-CB 3.09Å; L98-E102 PolarHBondContact O-N 3.18Å; F99-E102 PolarHBondContact O-N 3.29Å; V100-E102 VanDerWaalsContact C-N 3.31Å; V100-E102 PolarHBondContact O-N 3.46Å; E102-R105 IonicContact OE1-CZ 3.52Å; E102-R105 IonicContact OE1-NE 3.69Å; E102-R105 PolarHBondContact OE1-NE 3.4Å; E102-R105 IonicContact OE1-NH2 3.23Å; E102-R105 PolarHBondContact OE1-NH2 3.2Å; E102-R105 IonicContact OE2-CZ 2.65Å; E102-R105 IonicContact OE2-NE 2.61Å; E102-R105 IonicContact OE2-NH2 2.71Å; E102-R105 PolarHBondContact OE2-NH2 3.3Å; E102-N106 PolarHBondContact O-N 3.03Å; E102-N106 PolarHBondContact O-ND2 2.92Å; E102-N106 PolarHBondContact OE1-ND2 3.34Å; E102-N106 VanDerWaalsContact OE1-ND2 3.13Å; E102-N137 WeakPolarHBondContact CG-ND2 3.41Å
103A94.9Very high91.6Very high1 Ų122.1 Ų22.11%0.0089%0.094CC..Hα-helixtrans-61-53.8169.900000110.9F99 V100 R105 N106 W107 A134 N137 C138 Y162F99-A103 WeakPolarHBondContact O-CB 3.37Å; F99-A103 PolarHBondContact O-N 2.86Å; V100-A103 WeakPolarHBondContact O-CB 3.49Å; V100-A103 PolarHBondContact O-N 3.18Å; A103-R105 VanDerWaalsContact C-N 3.31Å; A103-R105 PolarHBondContact O-N 3.4Å; A103-N106 PolarHBondContact O-N 2.69Å; A103-W107 PolarHBondContact O-N 3.21Å; A103-A134 WeakPolarHBondContact O-CB 3.33Å; A103-N137 HydrophobicContact CB-CB 4.07Å; A103-C138 VanDerWaalsContact CB-SG 3.56Å; A103-Y162 HydrophobicContact CB-CE1 4.26Å
104D95.7Very high92.2Very high0 Ų023.1 Ų23.10%010%0.097CC..Hα-helixtrans-64.1-34.1-177.4-126.456.6000112.5Q23 Y36 V100 N106 W107 A108 Y162Q23-D104 PolarHBondContact NE2-OD2 2.88Å; Y36-D104 HydrophobicContact CE1-CB 4.25Å; Y36-D104 WeakPolarHBondContact CE1-OD2 3.43Å; Y36-D104 VanDerWaalsContact CZ-OD2 3.28Å; Y36-D104 PolarHBondContact OH-OD2 3.44Å; V100-D104 PolarHBondContact O-N 3.4Å; D104-N106 VanDerWaalsContact C-N 3.34Å; D104-N106 PolarHBondContact O-N 2.96Å; D104-W107 PolarHBondContact O-N 2.75Å; D104-A108 WeakPolarHBondContact O-CB 2.94Å; D104-A108 PolarHBondContact O-N 3.23Å; D104-Y162 PolarHBondContact OD1-OH 2.98Å
105R96.9Very high92.5Very high65 Ų6524.3 Ų24.325%0.24511%0.107CC..Hα-helixtrans-60.2-44.1171.4-176.7178.469.6163.81.5112.2R37 C40 S41 F101 E102 A103 Y109R37-R105 HydrophobicContact CG-CG 3.94Å; C40-R105 HydrophobicContact CB-CB 3.69Å; C40-R105 HydrophobicContact CB-CG 4.15Å; S41-R105 WeakPolarHBondContact OG-CD 3.27Å; F101-R105 WeakPolarHBondContact O-CB 3.42Å; F101-R105 PolarHBondContact O-N 3.47Å; E102-R105 IonicContact OE1-CZ 3.52Å; E102-R105 IonicContact OE1-NE 3.69Å; E102-R105 PolarHBondContact OE1-NE 3.4Å; E102-R105 IonicContact OE1-NH2 3.23Å; E102-R105 PolarHBondContact OE1-NH2 3.2Å; E102-R105 IonicContact OE2-CZ 2.65Å; E102-R105 IonicContact OE2-NE 2.61Å; E102-R105 IonicContact OE2-NH2 2.71Å; E102-R105 PolarHBondContact OE2-NH2 3.3Å; A103-R105 VanDerWaalsContact C-N 3.31Å; A103-R105 PolarHBondContact O-N 3.4Å; R105-Y109 WeakPolarHBondContact O-CB 3.47Å; R105-Y109 PolarHBondContact O-N 3.02Å
106N97.1Very high92.8Very high5 Ų526.3 Ų26.33%0.02712%0.118CC..Hα-helixtrans-71.6-38.1-179-76-66.5000110.8E102 A103 D104 Y109 A110 A134E102-N106 PolarHBondContact O-N 3.03Å; E102-N106 PolarHBondContact O-ND2 2.92Å; E102-N106 PolarHBondContact OE1-ND2 3.34Å; E102-N106 VanDerWaalsContact OE1-ND2 3.13Å; A103-N106 PolarHBondContact O-N 2.69Å; D104-N106 VanDerWaalsContact C-N 3.34Å; D104-N106 PolarHBondContact O-N 2.96Å; N106-Y109 PolarHBondContact O-N 2.76Å; N106-A110 PolarHBondContact O-N 3.05Å; N106-A134 HydrophobicContact CB-CB 3.88Å
107W97.3Very high92.5Very high16 Ų1628.3 Ų28.36%0.06113%0.134CC..Hα-helixtrans-60.6-51.2171.4172.780.7000112.1L28 Y33 A103 D104 Y109 A110 M111 A134 W165 M166L28-W107 HydrophobicContact CD2-CH2 3.82Å; L28-W107 HydrophobicContact CD2-CZ3 3.92Å; Y33-W107 AromaticContact CE1-CH2 3.87Å; Y33-W107 HydrophobicContact CE1-CH2 3.87Å; Y33-W107 HydrophobicContact CE1-CZ2 4.3Å; Y33-W107 HydrophobicContact CE1-CZ3 4.22Å; A103-W107 PolarHBondContact O-N 3.21Å; D104-W107 PolarHBondContact O-N 2.75Å; W107-Y109 VanDerWaalsContact C-N 3.25Å; W107-Y109 PolarHBondContact O-N 2.84Å; W107-A110 CarbonylContact O-C 3.43Å; W107-A110 WeakPolarHBondContact O-CA 3.45Å; W107-A110 WeakPolarHBondContact O-CB 3.35Å; W107-A110 PolarHBondContact O-N 3.12Å; W107-M111 HydrophobicContact CD2-CG 4.31Å; W107-M111 HydrophobicContact CZ2-CG 4.02Å; W107-M111 PolarHBondContact O-N 2.93Å; W107-A134 HydrophobicContact CB-CB 4.42Å; W107-W165 HydrophobicContact CD2-CH2 4.45Å; W107-W165 AromaticContact CE2-CH2 3.88Å; W107-W165 AromaticContact CZ2-CH2 3.94Å; W107-W165 HydrophobicContact CZ2-CH2 3.94Å; W107-W165 HydrophobicContact CZ2-CZ2 4.45Å; W107-W165 AromaticContact NE1-CH2 3.98Å; W107-M166 HydrophobicContact CB-CE 3.96Å; W107-M166 HydrophobicContact CB-SD 3.83Å; W107-M166 HydrophobicContact CG-CE 4.17Å; W107-M166 HydrophobicContact CG-SD 3.99Å
108A96.6Very high91.1Very high0 Ų031 Ų310%016%0.157CC..Hα-helixtrans-59.2-37.4177.300000112.1Y33 Y36 R37 D104 M111 Q112Y33-A108 WeakPolarHBondContact CB-O 3.33Å; Y36-A108 HydrophobicContact CD1-CB 3.65Å; Y36-A108 HydrophobicContact CE1-CB 4.25Å; R37-A108 HydrophobicContact CB-CB 4.21Å; D104-A108 WeakPolarHBondContact O-CB 2.94Å; D104-A108 PolarHBondContact O-N 3.23Å; A108-M111 PolarHBondContact O-N 2.85Å; A108-Q112 WeakPolarHBondContact O-CB 3.5Å; A108-Q112 PolarHBondContact O-N 3.38Å
109Y96.9Very high89.8Confident62 Ų6236.8 Ų36.824%0.24320%0.195CC..Hα-helixtrans-67.1-41173.5-163.8177.1000111.7R105 N106 W107 M111 Q112 L113 H126 K130R105-Y109 WeakPolarHBondContact O-CB 3.47Å; R105-Y109 PolarHBondContact O-N 3.02Å; N106-Y109 PolarHBondContact O-N 2.76Å; W107-Y109 VanDerWaalsContact C-N 3.25Å; W107-Y109 PolarHBondContact O-N 2.84Å; Y109-M111 VanDerWaalsContact C-N 3.3Å; Y109-M111 PolarHBondContact O-N 3.4Å; Y109-Q112 PolarHBondContact O-N 3.28Å; Y109-L113 HydrophobicContact CD2-CD1 3.89Å; Y109-L113 HydrophobicContact CD2-CG 3.86Å; Y109-L113 HydrophobicContact CE2-CD1 3.83Å; Y109-L113 HydrophobicContact CE2-CD2 3.97Å; Y109-L113 HydrophobicContact CE2-CG 3.77Å; Y109-L113 VanDerWaalsContact O-CG 3.29Å; Y109-L113 WeakPolarHBondContact O-CG 3.39Å; Y109-L113 PolarHBondContact O-N 3.48Å; Y109-H126 AromaticContact CZ-CE1 3.7Å; Y109-H126 PolarHBondContact OH-CE1 3.02Å; Y109-K130 HydrophobicContact CD1-CD 3.82Å; Y109-K130 VanDerWaalsContact CD1-CE 3.41Å; Y109-K130 HydrophobicContact CD1-CG 4.2Å; Y109-K130 HydrophobicContact CE1-CD 4.37Å; Y109-K130 VanDerWaalsContact CE1-CE 3.49Å; Y109-K130 HydrophobicContact CG-CD 4.38Å; Y109-K130 HydrophobicContact CG-CG 4.36Å
110A95.5Very high88.7Confident0 Ų039.9 Ų39.90%021%0.213CC..Hα-helixtrans-60.2-42.1174.500000111.6N106 W107 L113 K114 L127 K130 M131N106-A110 PolarHBondContact O-N 3.05Å; W107-A110 CarbonylContact O-C 3.43Å; W107-A110 WeakPolarHBondContact O-CA 3.45Å; W107-A110 WeakPolarHBondContact O-CB 3.35Å; W107-A110 PolarHBondContact O-N 3.12Å; A110-L113 WeakPolarHBondContact O-CB 3.48Å; A110-L113 PolarHBondContact O-N 2.99Å; A110-K114 PolarHBondContact O-N 3.02Å; A110-L127 HydrophobicContact CB-CG 4.12Å; A110-L127 WeakPolarHBondContact O-CD1 3.41Å; A110-L127 WeakPolarHBondContact O-CG 3.49Å; A110-K130 HydrophobicContact CB-CB 3.94Å; A110-M131 HydrophobicContact CB-CE 3.57Å; A110-M131 HydrophobicContact CB-CG 3.68Å; A110-M131 HydrophobicContact CB-SD 3.66Å
111M94.2Very high88.1Confident18 Ų1845.3 Ų45.39%0.08924%0.242CC..Hα-helixtrans-69.6-38.1177.6-70.4-65.112700113.5Y33 W107 A108 Y109 L113 K114 Q115 M131 E173Y33-M111 HydrophobicContact CD1-CB 3.32Å; Y33-M111 HydrophobicContact CD1-CG 4.15Å; Y33-M111 HydrophobicContact CD2-CB 4.06Å; Y33-M111 HydrophobicContact CE1-CB 3.3Å; Y33-M111 HydrophobicContact CE1-CG 3.72Å; Y33-M111 HydrophobicContact CE2-CB 4.05Å; Y33-M111 HydrophobicContact CG-CB 3.71Å; W107-M111 HydrophobicContact CD2-CG 4.31Å; W107-M111 HydrophobicContact CZ2-CG 4.02Å; W107-M111 PolarHBondContact O-N 2.93Å; A108-M111 PolarHBondContact O-N 2.85Å; Y109-M111 VanDerWaalsContact C-N 3.3Å; Y109-M111 PolarHBondContact O-N 3.4Å; M111-L113 VanDerWaalsContact C-N 3.33Å; M111-L113 PolarHBondContact O-N 3.39Å; M111-K114 HydrophobicContact CE-CD 4.17Å; M111-K114 VanDerWaalsContact O-CB 3.29Å; M111-K114 WeakPolarHBondContact O-CB 3.25Å; M111-K114 PolarHBondContact O-N 3.38Å; M111-K114 VanDerWaalsContact O-N 3.13Å; M111-K114 HydrophobicContact SD-CD 4.08Å; M111-Q115 PolarHBondContact O-N 2.88Å; M111-M131 HydrophobicContact CE-CE 3.02Å; M111-E173 HydrophobicContact CE-CG 4.42Å
112Q94Very high87.6Confident10 Ų1055.6 Ų55.65%0.04728%0.281CS..Hα-helixtrans-56.9-48.2168.8173.3178.2-0.800110.7R37 A108 Y109 K114 Q115 E116R37-Q112 VanDerWaalsContact NH2-OE1 3.16Å; A108-Q112 WeakPolarHBondContact O-CB 3.5Å; A108-Q112 PolarHBondContact O-N 3.38Å; Y109-Q112 PolarHBondContact O-N 3.28Å; Q112-K114 PolarHBondContact O-N 3.46Å; Q112-Q115 PolarHBondContact O-N 3.22Å; Q112-E116 WeakPolarHBondContact CG-OE1 3.34Å; Q112-E116 PolarHBondContact NE2-OE1 3.43Å; Q112-E116 WeakPolarHBondContact O-CG 3.01Å; Q112-E116 PolarHBondContact O-N 3.39Å
113L93.4Very high87.3Confident10 Ų1057.2 Ų57.25%0.05229%0.288CS..Hα-helixtrans-63.2-30.2178.1-70.2166.9000112Y109 A110 M111 A117 H126 L127 K130Y109-L113 HydrophobicContact CD2-CD1 3.89Å; Y109-L113 HydrophobicContact CD2-CG 3.86Å; Y109-L113 HydrophobicContact CE2-CD1 3.83Å; Y109-L113 HydrophobicContact CE2-CD2 3.97Å; Y109-L113 HydrophobicContact CE2-CG 3.77Å; Y109-L113 VanDerWaalsContact O-CG 3.29Å; Y109-L113 WeakPolarHBondContact O-CG 3.39Å; Y109-L113 PolarHBondContact O-N 3.48Å; A110-L113 WeakPolarHBondContact O-CB 3.48Å; A110-L113 PolarHBondContact O-N 2.99Å; M111-L113 VanDerWaalsContact C-N 3.33Å; M111-L113 PolarHBondContact O-N 3.39Å; L113-A117 WeakPolarHBondContact O-CB 3.47Å; L113-A117 PolarHBondContact O-N 3.17Å; L113-H126 HydrophobicContact CD1-CB 3.92Å; L113-L127 HydrophobicContact CB-CB 4.23Å; L113-K130 HydrophobicContact CD1-CG 4.36Å
114K90.9Very high86.9Confident91 Ų9162.4 Ų62.440%0.39631%0.307SS..Hα-helixtrans-66.6-46174.7-166.8179.2177.3178.60111.4A110 M111 Q112 E116 A117 L127 E173A110-K114 PolarHBondContact O-N 3.02Å; M111-K114 HydrophobicContact CE-CD 4.17Å; M111-K114 VanDerWaalsContact O-CB 3.29Å; M111-K114 WeakPolarHBondContact O-CB 3.25Å; M111-K114 PolarHBondContact O-N 3.38Å; M111-K114 VanDerWaalsContact O-N 3.13Å; M111-K114 HydrophobicContact SD-CD 4.08Å; Q112-K114 PolarHBondContact O-N 3.46Å; K114-E116 VanDerWaalsContact C-N 3.32Å; K114-E116 PolarHBondContact O-N 3.36Å; K114-A117 PolarHBondContact O-N 3.34Å; K114-L127 HydrophobicContact CB-CD1 3.59Å; K114-L127 HydrophobicContact CG-CD1 4.03Å; K114-E173 WeakPolarHBondContact CE-OE1 3.33Å; K114-E173 IonicContact NZ-OE1 2.67Å; K114-E173 PolarHBondContact NZ-OE1 3.43Å; K114-E173 IonicContact NZ-OE2 3.9Å
115Q88.7Confident86.7Confident120 Ų12069.9 Ų69.956%0.56134%0.34SS*.Hα-helixtrans-64.5-37.7175.7-72.4-179.5-26.100112.1G31 Y33 M111 Q112 A117G31-Q115 PolarHBondContact O-NE2 3.01Å; G31-Q115 PolarHBondContact O-OE1 3.49Å; Y33-Q115 VanDerWaalsContact CD2-CD 3.45Å; Y33-Q115 HydrophobicContact CD2-CG 4.33Å; Y33-Q115 HydrophobicContact CE2-CG 4.37Å; M111-Q115 PolarHBondContact O-N 2.88Å; Q112-Q115 PolarHBondContact O-N 3.22Å; Q115-A117 VanDerWaalsContact C-N 3.29Å; Q115-A117 PolarHBondContact O-N 3.1Å
116E87.3Confident86.5Confident78 Ų7868.9 Ų68.936%0.36434%0.338SS..THydrogen-bonded Turntrans-78.9-10.3177.8-68.2172.4-16700113.4Q112 K114 A118 K123Q112-E116 WeakPolarHBondContact CG-OE1 3.34Å; Q112-E116 PolarHBondContact NE2-OE1 3.43Å; Q112-E116 WeakPolarHBondContact O-CG 3.01Å; Q112-E116 PolarHBondContact O-N 3.39Å; K114-E116 VanDerWaalsContact C-N 3.32Å; K114-E116 PolarHBondContact O-N 3.36Å; E116-A118 VanDerWaalsContact C-N 3.29Å; E116-A118 PolarHBondContact O-N 3.18Å; E116-K123 HydrophobicContact CB-CD 4.33Å; E116-K123 WeakPolarHBondContact O-CD 3.14Å; E116-K123 PolarHBondContact O-NZ 2.84Å
117A77.9Confident86.3Confident44 Ų4469 Ų6936%0.36434%0.338SS..  trans-79.173.1-179.700000111.4L113 K114 Q115 K123L113-A117 WeakPolarHBondContact O-CB 3.47Å; L113-A117 PolarHBondContact O-N 3.17Å; K114-A117 PolarHBondContact O-N 3.34Å; Q115-A117 VanDerWaalsContact C-N 3.29Å; Q115-A117 PolarHBondContact O-N 3.1Å; A117-K123 HydrophobicContact CB-CB 4.23Å
118A59.1Low86.2Confident64 Ų6469.1 Ų69.153%0.52934%0.34SS..SBendtrans-65.4163.4142.400000108.2E116 D120E116-A118 VanDerWaalsContact C-N 3.29Å; E116-A118 PolarHBondContact O-N 3.18Å; A118-D120 PolarHBondContact O-N 2.83Å
119P59.3Low86.2Confident133 Ų13376 Ų7686%0.86437%0.366SS*.SBendtrans-62.120.6-143.627-36.3000119N121P119-N121 PolarHBondContact O-N 3.32Å
120D67.9Low86.1Confident92 Ų9275 Ų7549%0.49236%0.362SS..  trans-66.7101.5170.6-63.4-27000112.9A118 R122 K123A118-D120 PolarHBondContact O-N 2.83Å; D120-R122 PolarHBondContact O-N 3.35Å; D120-K123 HydrophobicContact CB-CD 4.48Å; D120-K123 HydrophobicContact CB-CG 4.25Å; D120-K123 PolarHBondContact O-N 3.22Å; D120-K123 VanDerWaalsContact O-N 3.1Å
121N78.5Confident86.2Confident114 Ų11475 Ų7561%0.6136%0.362SS*.Hα-helixtrans-51.6-28.4170.2-75.2-28.6000113.5P119 K123 R124 F125P119-N121 PolarHBondContact O-N 3.32Å; N121-K123 PolarHBondContact O-N 2.71Å; N121-R124 WeakPolarHBondContact O-CB 3.12Å; N121-R124 PolarHBondContact O-N 3.12Å; N121-F125 HydrophobicContact CB-CE2 4.35Å; N121-F125 WeakPolarHBondContact O-CD2 3.5Å; N121-F125 PolarHBondContact O-N 3.23Å; N121-F125 VanDerWaalsContact O-N 3.15Å
122R84.6Confident86.3Confident218 Ų21881 Ų8182%0.82338%0.384SS*.Hα-helixtrans-61.6-40.8178.8-170.5176.9-178.5-174.71.4112.8D120 R124 F125 H126D120-R122 PolarHBondContact O-N 3.35Å; R122-R124 VanDerWaalsContact C-N 3.31Å; R122-F125 PolarHBondContact O-N 2.99Å; R122-H126 PolarHBondContact O-N 2.97Å
123K86.3Confident86.3Confident61 Ų6182.2 Ų82.227%0.26539%0.392SS..Hα-helixtrans-67.6-35.8178.5-65.8-174.6-169.6-179.10110.7E116 A117 D120 N121 H126 L127E116-K123 HydrophobicContact CB-CD 4.33Å; E116-K123 WeakPolarHBondContact O-CD 3.14Å; E116-K123 PolarHBondContact O-NZ 2.84Å; A117-K123 HydrophobicContact CB-CB 4.23Å; D120-K123 HydrophobicContact CB-CD 4.48Å; D120-K123 HydrophobicContact CB-CG 4.25Å; D120-K123 PolarHBondContact O-N 3.22Å; D120-K123 VanDerWaalsContact O-N 3.1Å; N121-K123 PolarHBondContact O-N 2.71Å; K123-H126 PolarHBondContact O-N 2.89Å; K123-H126 VanDerWaalsContact O-N 3.17Å; K123-L127 WeakPolarHBondContact O-CB 3.44Å; K123-L127 PolarHBondContact O-N 3.47Å
124R87.5Confident86.4Confident109 Ų10981.7 Ų81.741%0.41139%0.39SS..Hα-helixtrans-61.2-44.8174.3-172.9176.5177.3-122.3-3.8112.8N121 R122 H126 L127 M128N121-R124 WeakPolarHBondContact O-CB 3.12Å; N121-R124 PolarHBondContact O-N 3.12Å; R122-R124 VanDerWaalsContact C-N 3.31Å; R124-H126 VanDerWaalsContact C-N 3.26Å; R124-H126 PolarHBondContact O-N 3.32Å; R124-L127 WeakPolarHBondContact O-CB 3.4Å; R124-L127 PolarHBondContact O-N 3.4Å; R124-M128 WeakPolarHBondContact O-CG 3.46Å; R124-M128 PolarHBondContact O-N 3.18Å
125F90.9Very high86.7Confident157 Ų15778 Ų7869%0.68937%0.374SS*.Hα-helixtrans-60.2-39.1174.6-71-67.9000112.1N121 R122 R129N121-F125 HydrophobicContact CB-CE2 4.35Å; N121-F125 WeakPolarHBondContact O-CD2 3.5Å; N121-F125 PolarHBondContact O-N 3.23Å; N121-F125 VanDerWaalsContact O-N 3.15Å; R122-F125 PolarHBondContact O-N 2.99Å; F125-R129 PolarHBondContact O-N 2.96Å
126H92.9Very high86.9Confident45 Ų4579 Ų7921%0.20837%0.373CS..Hα-helixtrans-68.8-42.2177.8-165.7-173.3000112.1Y109 L113 R122 K123 R124 M128 R129 K130Y109-H126 AromaticContact CZ-CE1 3.7Å; Y109-H126 PolarHBondContact OH-CE1 3.02Å; L113-H126 HydrophobicContact CD1-CB 3.92Å; R122-H126 PolarHBondContact O-N 2.97Å; K123-H126 PolarHBondContact O-N 2.89Å; K123-H126 VanDerWaalsContact O-N 3.17Å; R124-H126 VanDerWaalsContact C-N 3.26Å; R124-H126 PolarHBondContact O-N 3.32Å; H126-M128 PolarHBondContact O-N 3.05Å; H126-R129 PolarHBondContact CD2-NH2 3.15Å; H126-R129 PolarHBondContact NE2-NH2 3.21Å; H126-R129 WeakPolarHBondContact O-CB 3.47Å; H126-R129 PolarHBondContact O-N 3.01Å; H126-K130 VanDerWaalsContact NE2-CE 3.31Å; H126-K130 WeakPolarHBondContact NE2-CE 3.39Å; H126-K130 WeakPolarHBondContact O-CG 3.44Å; H126-K130 PolarHBondContact O-N 3.1Å
127L93.8Very high87.1Confident7 Ų776.4 Ų76.44%0.03736%0.362CS..Hα-helixtrans-53.6-52.6173178.5164.9000110.4A110 L113 K114 K123 R124 R129 K130 M131 E173A110-L127 HydrophobicContact CB-CG 4.12Å; A110-L127 WeakPolarHBondContact O-CD1 3.41Å; A110-L127 WeakPolarHBondContact O-CG 3.49Å; L113-L127 HydrophobicContact CB-CB 4.23Å; K114-L127 HydrophobicContact CB-CD1 3.59Å; K114-L127 HydrophobicContact CG-CD1 4.03Å; K123-L127 WeakPolarHBondContact O-CB 3.44Å; K123-L127 PolarHBondContact O-N 3.47Å; R124-L127 WeakPolarHBondContact O-CB 3.4Å; R124-L127 PolarHBondContact O-N 3.4Å; L127-R129 VanDerWaalsContact C-N 3.32Å; L127-R129 PolarHBondContact O-N 3.24Å; L127-K130 PolarHBondContact O-N 2.59Å; L127-M131 HydrophobicContact CD2-CG 4.07Å; L127-M131 PolarHBondContact O-N 3.13Å; L127-E173 HydrophobicContact CD2-CB 4.08Å; L127-E173 HydrophobicContact CD2-CG 4.15Å
128M94.7Very high87.8Confident19 Ų1974.4 Ų74.49%0.09435%0.345CS..Hα-helixtrans-61-40179.7-69.5-53.7-64.300112.4R124 H126 K130 M131 R132 L170 E173 A174R124-M128 WeakPolarHBondContact O-CG 3.46Å; R124-M128 PolarHBondContact O-N 3.18Å; H126-M128 PolarHBondContact O-N 3.05Å; M128-K130 VanDerWaalsContact C-N 3.29Å; M128-K130 PolarHBondContact O-N 2.9Å; M128-M131 PolarHBondContact O-N 3.06Å; M128-R132 WeakPolarHBondContact O-CG 3.31Å; M128-R132 PolarHBondContact O-N 2.9Å; M128-L170 HydrophobicContact CE-CD1 3.57Å; M128-E173 HydrophobicContact SD-CB 3.96Å; M128-A174 HydrophobicContact CE-CB 3.73Å
129R95.4Very high89.5Confident145 Ų14575 Ų7555%0.54734%0.339SS..Hα-helixtrans-60.8-40.3174.8-173.4178.774.3162.8-1.1111.6F125 H126 L127 T133F125-R129 PolarHBondContact O-N 2.96Å; H126-R129 PolarHBondContact CD2-NH2 3.15Å; H126-R129 PolarHBondContact NE2-NH2 3.21Å; H126-R129 WeakPolarHBondContact O-CB 3.47Å; H126-R129 PolarHBondContact O-N 3.01Å; L127-R129 VanDerWaalsContact C-N 3.32Å; L127-R129 PolarHBondContact O-N 3.24Å; R129-T133 PolarHBondContact O-N 3.44Å; R129-T133 PolarHBondContact O-OG1 3.03Å
130K96.2Very high90.9Very high39 Ų3971.8 Ų71.817%0.1732%0.315CS..Hα-helixtrans-70.3-42.4179-70.3-64.9177.4-178.50112.1Y109 A110 L113 H126 L127 M128 R132 T133 A134Y109-K130 HydrophobicContact CD1-CD 3.82Å; Y109-K130 VanDerWaalsContact CD1-CE 3.41Å; Y109-K130 HydrophobicContact CD1-CG 4.2Å; Y109-K130 HydrophobicContact CE1-CD 4.37Å; Y109-K130 VanDerWaalsContact CE1-CE 3.49Å; Y109-K130 HydrophobicContact CG-CD 4.38Å; Y109-K130 HydrophobicContact CG-CG 4.36Å; A110-K130 HydrophobicContact CB-CB 3.94Å; L113-K130 HydrophobicContact CD1-CG 4.36Å; H126-K130 VanDerWaalsContact NE2-CE 3.31Å; H126-K130 WeakPolarHBondContact NE2-CE 3.39Å; H126-K130 WeakPolarHBondContact O-CG 3.44Å; H126-K130 PolarHBondContact O-N 3.1Å; L127-K130 PolarHBondContact O-N 2.59Å; M128-K130 VanDerWaalsContact C-N 3.29Å; M128-K130 PolarHBondContact O-N 2.9Å; K130-R132 PolarHBondContact O-N 3.39Å; K130-T133 WeakPolarHBondContact O-CB 3.39Å; K130-T133 PolarHBondContact O-N 2.7Å; K130-T133 VanDerWaalsContact O-N 3.11Å; K130-A134 PolarHBondContact O-N 2.87Å
131M96.6Very high91.9Very high0 Ų067.5 Ų67.50%029%0.291CS..Hα-helixtrans-59-47.3173.2-73.9-55.4-167.700112.9A110 M111 L127 M128 T133 A134 V135 L170 E173A110-M131 HydrophobicContact CB-CE 3.57Å; A110-M131 HydrophobicContact CB-CG 3.68Å; A110-M131 HydrophobicContact CB-SD 3.66Å; M111-M131 HydrophobicContact CE-CE 3.02Å; L127-M131 HydrophobicContact CD2-CG 4.07Å; L127-M131 PolarHBondContact O-N 3.13Å; M128-M131 PolarHBondContact O-N 3.06Å; M131-T133 PolarHBondContact O-N 2.7Å; M131-A134 WeakPolarHBondContact O-CB 3.2Å; M131-A134 PolarHBondContact O-N 3.09Å; M131-V135 PolarHBondContact O-N 2.7Å; M131-L170 HydrophobicContact CB-CB 4.29Å; M131-L170 HydrophobicContact CB-CD1 3.5Å; M131-L170 VanDerWaalsContact CB-CD1 3.5Å; M131-L170 HydrophobicContact CB-CG 4.45Å; M131-E173 HydrophobicContact CE-CG 4.33Å
132R97.2Very high92.5Very high146 Ų14663.9 Ų63.955%0.55127%0.271SS*.Hα-helixtrans-59.6-33.9175.9-69175.4-165.7150.82.5112.7M128 K130 R136 L170M128-R132 WeakPolarHBondContact O-CG 3.31Å; M128-R132 PolarHBondContact O-N 2.9Å; K130-R132 PolarHBondContact O-N 3.39Å; R132-R136 WeakPolarHBondContact O-CB 3.47Å; R132-R136 PolarHBondContact O-N 3.36Å; R132-L170 HydrophobicContact CG-CD1 3.89Å; R132-L170 HydrophobicContact CG-CD2 4.13Å
133T93.9Very high92.7Very high34 Ų3459.4 Ų59.421%0.20926%0.257CS..Hα-helixtrans-71.1-39.2176.4-53.50000111R129 K130 M131 R136 N137R129-T133 PolarHBondContact O-N 3.44Å; R129-T133 PolarHBondContact O-OG1 3.03Å; K130-T133 WeakPolarHBondContact O-CB 3.39Å; K130-T133 PolarHBondContact O-N 2.7Å; K130-T133 VanDerWaalsContact O-N 3.11Å; M131-T133 PolarHBondContact O-N 2.7Å; T133-R136 PolarHBondContact O-N 3.28Å; T133-N137 PolarHBondContact O-N 3.2Å; T133-N137 PolarHBondContact O-ND2 3.3Å; T133-N137 VanDerWaalsContact O-ND2 3.09Å
134A95.2Very high92.6Very high0 Ų057.1 Ų57.10%025%0.248CC..Hα-helixtrans-60.4-51.6174.400000111.2A103 N106 W107 K130 M131 R136 N137 C138 M166A103-A134 WeakPolarHBondContact O-CB 3.33Å; N106-A134 HydrophobicContact CB-CB 3.88Å; W107-A134 HydrophobicContact CB-CB 4.42Å; K130-A134 PolarHBondContact O-N 2.87Å; M131-A134 WeakPolarHBondContact O-CB 3.2Å; M131-A134 PolarHBondContact O-N 3.09Å; A134-R136 VanDerWaalsContact C-N 3.34Å; A134-R136 PolarHBondContact O-N 3.44Å; A134-N137 WeakPolarHBondContact O-CB 3.49Å; A134-N137 PolarHBondContact O-N 3.22Å; A134-C138 PolarHBondContact O-N 3.41Å; A134-C138 PolarHBondContact O-SG 3.2Å; A134-M166 HydrophobicContact CB-CG 4.13Å; A134-M166 HydrophobicContact CB-SD 3.87Å
135V97.4Very high92.5Very high13 Ų1352.1 Ų52.18%0.07923%0.23CC..Hα-helixtrans-58-43.3177.2170.90000112M131 N137 C138 L139 M166 Q167 L170M131-V135 PolarHBondContact O-N 2.7Å; V135-N137 VanDerWaalsContact C-N 3.25Å; V135-N137 PolarHBondContact O-N 3.13Å; V135-C138 PolarHBondContact O-N 2.98Å; V135-C138 VanDerWaalsContact O-N 3.12Å; V135-L139 HydrophobicContact CG1-CD1 3.99Å; V135-L139 HydrophobicContact CG1-CG 4.24Å; V135-L139 WeakPolarHBondContact O-CG 3.4Å; V135-L139 PolarHBondContact O-N 2.87Å; V135-M166 HydrophobicContact CG2-CB 4.49Å; V135-M166 HydrophobicContact CG2-CG 3.91Å; V135-M166 WeakPolarHBondContact CG2-O 3.39Å; V135-Q167 HydrophobicContact CG1-CG 3.61Å; V135-Q167 HydrophobicContact CG2-CG 4.22Å; V135-L170 HydrophobicContact CB-CD2 4.27Å; V135-L170 HydrophobicContact CG2-CB 3.84Å; V135-L170 HydrophobicContact CG2-CD2 3.8Å; V135-L170 HydrophobicContact CG2-CG 4.45Å
136R93.6Very high92.3Very high141 Ų14151.3 Ų51.353%0.53223%0.226SC..Hα-helixtrans-57.5-40176.3-172.2-174.2-60.7123.10.7112.1R132 T133 A134 N140R132-R136 WeakPolarHBondContact O-CB 3.47Å; R132-R136 PolarHBondContact O-N 3.36Å; T133-R136 PolarHBondContact O-N 3.28Å; A134-R136 VanDerWaalsContact C-N 3.34Å; A134-R136 PolarHBondContact O-N 3.44Å; R136-N140 WeakPolarHBondContact O-CB 3.25Å; R136-N140 PolarHBondContact O-N 3.35Å; R136-N140 PolarHBondContact O-ND2 2.92Å
137N90.6Very high91.8Very high24 Ų2454.3 Ų54.313%0.12824%0.24CC..Hα-helixtrans-69.5-37.7177.9-66-37.8000111.9E102 A103 T133 A134 V135 N140 L141E102-N137 WeakPolarHBondContact CG-ND2 3.41Å; A103-N137 HydrophobicContact CB-CB 4.07Å; T133-N137 PolarHBondContact O-N 3.2Å; T133-N137 PolarHBondContact O-ND2 3.3Å; T133-N137 VanDerWaalsContact O-ND2 3.09Å; A134-N137 WeakPolarHBondContact O-CB 3.49Å; A134-N137 PolarHBondContact O-N 3.22Å; V135-N137 VanDerWaalsContact C-N 3.25Å; V135-N137 PolarHBondContact O-N 3.13Å; N137-N140 PolarHBondContact O-N 3.02Å; N137-L141 WeakPolarHBondContact O-CB 3.5Å; N137-L141 PolarHBondContact O-N 3.37Å
138C93.5Very high90.9Very high1 Ų155.6 Ų55.61%0.00725%0.246CC..Hα-helixtrans-64.3-42.9173.6-64.10000112.2A103 A134 V135 N140 L141 E142 Y162A103-C138 VanDerWaalsContact CB-SG 3.56Å; A134-C138 PolarHBondContact O-N 3.41Å; A134-C138 PolarHBondContact O-SG 3.2Å; V135-C138 PolarHBondContact O-N 2.98Å; V135-C138 VanDerWaalsContact O-N 3.12Å; C138-N140 VanDerWaalsContact C-N 3.34Å; C138-N140 PolarHBondContact O-N 3.24Å; C138-L141 VanDerWaalsContact O-CB 3.31Å; C138-L141 WeakPolarHBondContact O-CB 3.47Å; C138-L141 PolarHBondContact O-N 3.25Å; C138-E142 WeakPolarHBondContact O-CB 3.39Å; C138-E142 PolarHBondContact O-N 2.87Å; C138-Y162 VanDerWaalsContact SG-CE1 3.52Å
139L93.7Very high89.8Confident78 Ų7857.7 Ų57.741%0.40827%0.273SS..Hα-helixtrans-64.1-38.9175.8-72175000112.2V135 L141 E142 K143V135-L139 HydrophobicContact CG1-CD1 3.99Å; V135-L139 HydrophobicContact CG1-CG 4.24Å; V135-L139 WeakPolarHBondContact O-CG 3.4Å; V135-L139 PolarHBondContact O-N 2.87Å; L139-L141 VanDerWaalsContact C-N 3.35Å; L139-E142 PolarHBondContact O-N 3.36Å; L139-K143 WeakPolarHBondContact O-CB 3.44Å; L139-K143 PolarHBondContact O-N 3.14Å
140N89Confident88.8Confident65 Ų6558.3 Ų58.335%0.34829%0.287SS..Hα-helixtrans-64.6-40.8173.2-71.5-16.8000111.5F99 R136 N137 C138 K143 I144F99-N140 HydrophobicContact CD1-CB 4.25Å; F99-N140 HydrophobicContact CE1-CB 3.97Å; R136-N140 WeakPolarHBondContact O-CB 3.25Å; R136-N140 PolarHBondContact O-N 3.35Å; R136-N140 PolarHBondContact O-ND2 2.92Å; N137-N140 PolarHBondContact O-N 3.02Å; C138-N140 VanDerWaalsContact C-N 3.34Å; C138-N140 PolarHBondContact O-N 3.24Å; N140-K143 PolarHBondContact O-N 3.4Å; N140-I144 WeakPolarHBondContact O-CD1 3.36Å; N140-I144 WeakPolarHBondContact O-CG1 3.48Å; N140-I144 PolarHBondContact O-N 3.05Å
141L88.4Confident87.8Confident1 Ų158 Ų581%0.00529%0.287CS..Hα-helixtrans-59.5-48.4174.7178.959.7000111L96 F99 V100 N137 C138 L139 K143 I144 C145 V159L96-L141 HydrophobicContact CB-CD1 4.38Å; L96-L141 HydrophobicContact CD2-CD1 3.32Å; L96-L141 HydrophobicContact CG-CD1 4.41Å; F99-L141 HydrophobicContact CB-CB 3.95Å; F99-L141 HydrophobicContact CB-CD1 3.86Å; F99-L141 HydrophobicContact CB-CD2 4.38Å; F99-L141 HydrophobicContact CB-CG 4.28Å; F99-L141 HydrophobicContact CD2-CD1 4.42Å; F99-L141 HydrophobicContact CG-CB 4.39Å; F99-L141 HydrophobicContact CG-CD1 4.35Å; V100-L141 HydrophobicContact CG2-CD2 3.58Å; N137-L141 WeakPolarHBondContact O-CB 3.5Å; N137-L141 PolarHBondContact O-N 3.37Å; C138-L141 VanDerWaalsContact O-CB 3.31Å; C138-L141 WeakPolarHBondContact O-CB 3.47Å; C138-L141 PolarHBondContact O-N 3.25Å; L139-L141 VanDerWaalsContact C-N 3.35Å; L141-K143 PolarHBondContact O-N 3.23Å; L141-I144 PolarHBondContact O-N 3.11Å; L141-C145 PolarHBondContact O-N 2.68Å; L141-C145 PolarHBondContact O-SG 3.36Å; L141-V159 HydrophobicContact CB-CG1 4.45Å; L141-V159 HydrophobicContact CD2-CG1 4.09Å; L141-V159 HydrophobicContact CD2-CG2 4.47Å; L141-V159 HydrophobicContact CG-CG1 3.76Å; L141-V159 HydrophobicContact CG-CG2 4.37Å
142E91.6Very high87.2Confident39 Ų3960 Ų6018%0.18230%0.297CS..Hα-helixtrans-61-43.9177.9-169.1-173.815400112C138 L139 I144 C145 K146 V159 S163C138-E142 WeakPolarHBondContact O-CB 3.39Å; C138-E142 PolarHBondContact O-N 2.87Å; L139-E142 PolarHBondContact O-N 3.36Å; E142-I144 PolarHBondContact O-N 3.38Å; E142-C145 PolarHBondContact O-N 3.3Å; E142-K146 HydrophobicContact CG-CD 4.46Å; E142-K146 WeakPolarHBondContact O-CG 3.47Å; E142-K146 PolarHBondContact O-N 3.34Å; E142-K146 VanDerWaalsContact OE1-CE 3.26Å; E142-K146 WeakPolarHBondContact OE1-CE 3.31Å; E142-K146 IonicContact OE1-NZ 2.85Å; E142-K146 PolarHBondContact OE1-NZ 3.08Å; E142-V159 HydrophobicContact CB-CG1 4Å; E142-V159 HydrophobicContact CG-CG1 4.42Å; E142-S163 WeakPolarHBondContact OE2-CB 3.25Å; E142-S163 PolarHBondContact OE2-OG 3.3Å
143K88.6Confident86.8Confident123 Ų12356.1 Ų56.154%0.53530%0.297SS..Hα-helixtrans-58.1-48.7174.9-179176.9174.1177.90111.5L139 N140 L141 C145 K146 E147L139-K143 WeakPolarHBondContact O-CB 3.44Å; L139-K143 PolarHBondContact O-N 3.14Å; N140-K143 PolarHBondContact O-N 3.4Å; L141-K143 PolarHBondContact O-N 3.23Å; K143-C145 VanDerWaalsContact C-N 3.33Å; K143-C145 PolarHBondContact O-N 2.95Å; K143-K146 PolarHBondContact O-N 3.39Å; K143-E147 WeakPolarHBondContact CE-OE1 3.37Å; K143-E147 IonicContact NZ-OE1 3.8Å; K143-E147 WeakPolarHBondContact O-CG 3.31Å; K143-E147 PolarHBondContact O-N 3.38Å
144I84.2Confident86.5Confident14 Ų1455.9 Ų55.97%0.07230%0.298CS..Hα-helixtrans-61.7-43.7178.3-66.8167000110.3V69 F99 N140 L141 E142 K146 E147 M148V69-I144 HydrophobicContact CG2-CD1 4.23Å; V69-I144 HydrophobicContact CG2-CG1 3.72Å; V69-I144 HydrophobicContact CG2-CG2 4.49Å; F99-I144 HydrophobicContact CD2-CD1 4.21Å; F99-I144 HydrophobicContact CE1-CD1 4.01Å; F99-I144 HydrophobicContact CE2-CD1 3.38Å; F99-I144 HydrophobicContact CZ-CD1 3.27Å; N140-I144 WeakPolarHBondContact O-CD1 3.36Å; N140-I144 WeakPolarHBondContact O-CG1 3.48Å; N140-I144 PolarHBondContact O-N 3.05Å; L141-I144 PolarHBondContact O-N 3.11Å; E142-I144 PolarHBondContact O-N 3.38Å; I144-K146 VanDerWaalsContact C-N 3.3Å; I144-K146 PolarHBondContact O-N 2.9Å; I144-E147 PolarHBondContact O-N 3.43Å; I144-M148 HydrophobicContact CG2-CE 4.27Å; I144-M148 HydrophobicContact CG2-CG 4.34Å; I144-M148 WeakPolarHBondContact O-CG 3.42Å; I144-M148 PolarHBondContact O-N 3.46Å; I144-M148 VanDerWaalsContact O-N 3.1Å
145C86.4Confident86.2Confident3 Ų356.1 Ų56.12%0.0230%0.3CS..Hα-helixtrans-67-29.6179.3-68.50000113.5L96 L141 E142 K143 L151 K156 V159L96-C145 VanDerWaalsContact CD2-SG 3.54Å; L141-C145 PolarHBondContact O-N 2.68Å; L141-C145 PolarHBondContact O-SG 3.36Å; E142-C145 PolarHBondContact O-N 3.3Å; K143-C145 VanDerWaalsContact C-N 3.33Å; K143-C145 PolarHBondContact O-N 2.95Å; C145-L151 HydrophobicContact CB-CD1 3.97Å; C145-K156 VanDerWaalsContact O-CE 3.25Å; C145-K156 WeakPolarHBondContact O-CE 3.46Å; C145-V159 HydrophobicContact CB-CG1 4.49Å; C145-V159 HydrophobicContact CB-CG2 4.37Å
146K85.6Confident86Confident141 Ų14158.8 Ų58.861%0.61331%0.31SS*.Hα-helixtrans-72.9-41.8173.7-74.5176.9-176.5172.30112.5E142 K143 I144 M148E142-K146 HydrophobicContact CG-CD 4.46Å; E142-K146 WeakPolarHBondContact O-CG 3.47Å; E142-K146 PolarHBondContact O-N 3.34Å; E142-K146 VanDerWaalsContact OE1-CE 3.26Å; E142-K146 WeakPolarHBondContact OE1-CE 3.31Å; E142-K146 IonicContact OE1-NZ 2.85Å; E142-K146 PolarHBondContact OE1-NZ 3.08Å; K143-K146 PolarHBondContact O-N 3.39Å; I144-K146 VanDerWaalsContact C-N 3.3Å; I144-K146 PolarHBondContact O-N 2.9Å; K146-M148 PolarHBondContact O-N 3.05Å
147E82.5Confident85.9Confident108 Ų10856 Ų5651%0.50531%0.305SS..Hα-helixtrans-66.7-25.3177.7-72172.3179.100112.2K143 I144 G149K143-E147 WeakPolarHBondContact CE-OE1 3.37Å; K143-E147 IonicContact NZ-OE1 3.8Å; K143-E147 WeakPolarHBondContact O-CG 3.31Å; K143-E147 PolarHBondContact O-N 3.38Å; I144-E147 PolarHBondContact O-N 3.43Å; E147-G149 PolarHBondContact O-N 2.65Å
148M75.8Confident86.1Confident34 Ų3454.9 Ų54.917%0.16730%0.299CS..  trans-83.5107.9177.7-64.9-71.6170.600111.5V69 F92 I144 K146 N150 L151 K156V69-M148 HydrophobicContact CG1-CE 3.36Å; F92-M148 HydrophobicContact CE2-CE 4.39Å; F92-M148 HydrophobicContact CE2-CG 4.13Å; F92-M148 HydrophobicContact CE2-SD 4.37Å; F92-M148 HydrophobicContact CZ-CG 4.39Å; I144-M148 HydrophobicContact CG2-CE 4.27Å; I144-M148 HydrophobicContact CG2-CG 4.34Å; I144-M148 WeakPolarHBondContact O-CG 3.42Å; I144-M148 PolarHBondContact O-N 3.46Å; I144-M148 VanDerWaalsContact O-N 3.1Å; K146-M148 PolarHBondContact O-N 3.05Å; M148-N150 VanDerWaalsContact C-N 3.35Å; M148-N150 PolarHBondContact O-N 3.17Å; M148-L151 HydrophobicContact CB-CD1 3.66Å; M148-L151 HydrophobicContact CB-CG 3.76Å; M148-L151 HydrophobicContact CG-CD1 4.33Å; M148-K156 VanDerWaalsContact O-CE 3.3Å; M148-K156 WeakPolarHBondContact O-CE 3.49Å; M148-K156 PolarHBondContact O-NZ 3.17Å
149G70.9Confident86.1Confident63 Ų6354.9 Ų54.965%0.64930%0.299SS*.THydrogen-bonded Turntrans-64.7-34.4176.400000113.9E147 L151E147-G149 PolarHBondContact O-N 2.65Å; G149-L151 VanDerWaalsContact C-N 3.32Å; G149-L151 PolarHBondContact O-N 3.45Å
150N73.2Confident86.2Confident157 Ų15751.7 Ų51.784%0.8429%0.286SS*.THydrogen-bonded Turntrans-87.311.2-168.5-60.91.6000114.8M148M148-N150 VanDerWaalsContact C-N 3.35Å; M148-N150 PolarHBondContact O-N 3.17Å
151L75.9Confident86.5Confident33 Ų3348.6 Ų48.617%0.17327%0.269CS..SBendtrans-91140.6177.4-56.9177.6000111F92 C145 M148 G149 K156F92-L151 HydrophobicContact CD1-CD2 3.86Å; F92-L151 HydrophobicContact CE1-CD1 3.89Å; F92-L151 HydrophobicContact CE1-CD2 3.14Å; F92-L151 HydrophobicContact CE1-CG 4.11Å; F92-L151 HydrophobicContact CE2-CD2 4.49Å; F92-L151 HydrophobicContact CZ-CD1 3.58Å; F92-L151 HydrophobicContact CZ-CD2 3.55Å; F92-L151 HydrophobicContact CZ-CG 4.09Å; C145-L151 HydrophobicContact CB-CD1 3.97Å; M148-L151 HydrophobicContact CB-CD1 3.66Å; M148-L151 HydrophobicContact CB-CG 3.76Å; M148-L151 HydrophobicContact CG-CD1 4.33Å; G149-L151 VanDerWaalsContact C-N 3.32Å; G149-L151 PolarHBondContact O-N 3.45Å; L151-K156 HydrophobicContact CB-CG 4.29Å; L151-K156 WeakPolarHBondContact O-CE 3.41Å
152D84.8Confident86.9Confident41 Ų4148.6 Ų48.622%0.21927%0.269CS..  trans-54.5141.3171.6169.549.4000111.6T12 A154 T155 K156T12-D152 HydrophobicContact CG2-CB 4.07Å; T12-D152 VanDerWaalsContact CG2-OD2 3.25Å; T12-D152 WeakPolarHBondContact CG2-OD2 3.32Å; D152-A154 VanDerWaalsContact C-N 3.31Å; D152-A154 PolarHBondContact O-N 3.06Å; D152-A154 PolarHBondContact OD1-N 3.26Å; D152-A154 WeakPolarHBondContact OD2-CB 3.45Å; D152-A154 PolarHBondContact OD2-N 2.98Å; D152-A154 VanDerWaalsContact OD2-N 3.15Å; D152-T155 PolarHBondContact O-N 2.92Å; D152-T155 PolarHBondContact OD2-N 2.89Å; D152-K156 PolarHBondContact O-N 3.41Å; D152-K156 VanDerWaalsContact O-N 3.16Å
153A87.5Confident87.2Confident65 Ų6546.7 Ų46.754%0.53726%0.26SS..Hα-helixtrans-63-38.1-178.300000111.4T155 K156 L157A153-T155 PolarHBondContact O-N 3.2Å; A153-K156 PolarHBondContact O-N 3.01Å; A153-L157 WeakPolarHBondContact O-CG 3.48Å; A153-L157 PolarHBondContact O-N 3.06Å
154A88.9Confident87.6Confident30 Ų3041.9 Ų41.925%0.24824%0.242CC..Hα-helixtrans-65.1-41178.700000111.2D152 K156 L157 E158 L194D152-A154 VanDerWaalsContact C-N 3.31Å; D152-A154 PolarHBondContact O-N 3.06Å; D152-A154 PolarHBondContact OD1-N 3.26Å; D152-A154 WeakPolarHBondContact OD2-CB 3.45Å; D152-A154 PolarHBondContact OD2-N 2.98Å; D152-A154 VanDerWaalsContact OD2-N 3.15Å; A154-K156 VanDerWaalsContact C-N 3.33Å; A154-K156 PolarHBondContact O-N 3.36Å; A154-L157 PolarHBondContact O-N 3.41Å; A154-E158 PolarHBondContact O-N 3.29Å; A154-L194 HydrophobicContact CB-CD2 4.19Å
155T89.1Confident88.3Confident4 Ų442 Ų423%0.02524%0.241CC..Hα-helixtrans-61.3-40.4174.2-560000111.8I13 D152 A153 E158 V159I13-T155 HydrophobicContact CB-CG2 4.05Å; I13-T155 PolarHBondContact N-OG1 3.35Å; D152-T155 PolarHBondContact O-N 2.92Å; D152-T155 PolarHBondContact OD2-N 2.89Å; A153-T155 PolarHBondContact O-N 3.2Å; T155-E158 PolarHBondContact O-N 2.85Å; T155-V159 WeakPolarHBondContact O-CG2 3.29Å; T155-V159 PolarHBondContact O-N 2.97Å
156K91.6Very high88.8Confident69 Ų6941.8 Ų41.830%0.324%0.24SC..Hα-helixtrans-64.4-41.6176.1-68.4-179.7-174.7-1760111.9C145 M148 L151 D152 A153 A154 V159 G160C145-K156 VanDerWaalsContact O-CE 3.25Å; C145-K156 WeakPolarHBondContact O-CE 3.46Å; M148-K156 VanDerWaalsContact O-CE 3.3Å; M148-K156 WeakPolarHBondContact O-CE 3.49Å; M148-K156 PolarHBondContact O-NZ 3.17Å; L151-K156 HydrophobicContact CB-CG 4.29Å; L151-K156 WeakPolarHBondContact O-CE 3.41Å; D152-K156 PolarHBondContact O-N 3.41Å; D152-K156 VanDerWaalsContact O-N 3.16Å; A153-K156 PolarHBondContact O-N 3.01Å; A154-K156 VanDerWaalsContact C-N 3.33Å; A154-K156 PolarHBondContact O-N 3.36Å; K156-V159 PolarHBondContact O-N 3.26Å; K156-G160 PolarHBondContact O-N 3.25Å
157L93.1Very high89.4Confident82 Ų8237.2 Ų37.243%0.42922%0.221SC..Hα-helixtrans-64.3-44.6175.9-71.5175.1000111.4A153 A154 V159 G160 A161 I190 L194A153-L157 WeakPolarHBondContact O-CG 3.48Å; A153-L157 PolarHBondContact O-N 3.06Å; A154-L157 PolarHBondContact O-N 3.41Å; L157-V159 VanDerWaalsContact C-N 3.35Å; L157-V159 PolarHBondContact O-N 2.99Å; L157-G160 CarbonylContact O-C 3.6Å; L157-G160 WeakPolarHBondContact O-CA 3.49Å; L157-G160 PolarHBondContact O-N 2.99Å; L157-G160 VanDerWaalsContact O-N 3.1Å; L157-A161 PolarHBondContact O-N 2.91Å; L157-I190 HydrophobicContact CB-CG2 4.01Å; L157-L194 HydrophobicContact CB-CD1 4.43Å; L157-L194 HydrophobicContact CB-CD2 4.2Å; L157-L194 HydrophobicContact CD1-CD2 4.34Å
158E93.4Very high90.1Very high1 Ų132 Ų321%0.00520%0.197CC..Hα-helixtrans-60.2-41.7176-84-162.6-142.600113H14 I15 L16 A154 T155 G160 A161 Y162 L194 Y207H14-E158 VanDerWaalsContact C-OE2 3.29Å; H14-E158 WeakPolarHBondContact CA-OE1 3.47Å; H14-E158 VanDerWaalsContact CA-OE2 3.31Å; H14-E158 WeakPolarHBondContact CA-OE2 3.29Å; H14-E158 IonicContact CE1-OE1 3.94Å; H14-E158 IonicContact CG-OE1 3.68Å; H14-E158 IonicContact ND1-OE1 2.86Å; H14-E158 PolarHBondContact ND1-OE1 3.06Å; I15-E158 PolarHBondContact N-OE2 3.37Å; L16-E158 PolarHBondContact N-OE2 2.73Å; A154-E158 PolarHBondContact O-N 3.29Å; T155-E158 PolarHBondContact O-N 2.85Å; E158-G160 VanDerWaalsContact C-N 3.31Å; E158-A161 PolarHBondContact O-N 3.24Å; E158-Y162 WeakPolarHBondContact O-CB 3.4Å; E158-Y162 PolarHBondContact O-N 2.9Å; E158-L194 HydrophobicContact CB-CD1 4.46Å; E158-L194 HydrophobicContact CG-CD1 3.56Å; E158-Y207 HydrophobicContact CG-CE1 4.22Å; E158-Y207 PolarHBondContact OE1-OH 3.49Å
159V94.2Very high91.1Very high1 Ų131.2 Ų31.21%0.00619%0.194CC..Hα-helixtrans-60.3-45.1173.8173.60000110.4I15 L141 E142 C145 T155 K156 L157 Y162 S163I15-V159 HydrophobicContact CD1-CB 4.2Å; I15-V159 HydrophobicContact CD1-CG2 3.14Å; L141-V159 HydrophobicContact CB-CG1 4.45Å; L141-V159 HydrophobicContact CD2-CG1 4.09Å; L141-V159 HydrophobicContact CD2-CG2 4.47Å; L141-V159 HydrophobicContact CG-CG1 3.76Å; L141-V159 HydrophobicContact CG-CG2 4.37Å; E142-V159 HydrophobicContact CB-CG1 4Å; E142-V159 HydrophobicContact CG-CG1 4.42Å; C145-V159 HydrophobicContact CB-CG1 4.49Å; C145-V159 HydrophobicContact CB-CG2 4.37Å; T155-V159 WeakPolarHBondContact O-CG2 3.29Å; T155-V159 PolarHBondContact O-N 2.97Å; K156-V159 PolarHBondContact O-N 3.26Å; L157-V159 VanDerWaalsContact C-N 3.35Å; L157-V159 PolarHBondContact O-N 2.99Å; V159-Y162 PolarHBondContact O-N 3.49Å; V159-S163 VanDerWaalsContact O-CB 3.23Å; V159-S163 WeakPolarHBondContact O-CB 3.2Å; V159-S163 PolarHBondContact O-N 3.29Å
160G95.3Very high92.4Very high12 Ų1229.2 Ų29.212%0.12417%0.169CC..Hα-helixtrans-58.9-48.3176.300000111.8K156 L157 E158 Y162 S163 S164K156-G160 PolarHBondContact O-N 3.25Å; L157-G160 CarbonylContact O-C 3.6Å; L157-G160 WeakPolarHBondContact O-CA 3.49Å; L157-G160 PolarHBondContact O-N 2.99Å; L157-G160 VanDerWaalsContact O-N 3.1Å; E158-G160 VanDerWaalsContact C-N 3.31Å; G160-Y162 PolarHBondContact O-N 2.94Å; G160-S163 WeakPolarHBondContact O-CB 3.4Å; G160-S163 PolarHBondContact O-N 3.12Å; G160-S164 WeakPolarHBondContact O-CB 3.38Å; G160-S164 PolarHBondContact O-N 2.91Å; G160-S164 PolarHBondContact O-OG 3.45Å
161A96.4Very high93.5Very high0 Ų023.6 Ų23.60%014%0.137CC..Hα-helixtrans-61.3-44.1177.200000112.5L157 E158 S164 W165 I190 Y191L157-A161 PolarHBondContact O-N 2.91Å; E158-A161 PolarHBondContact O-N 3.24Å; A161-S164 PolarHBondContact O-N 3.35Å; A161-W165 VanDerWaalsContact O-CB 3.31Å; A161-W165 WeakPolarHBondContact O-CB 3.35Å; A161-W165 PolarHBondContact O-N 2.87Å; A161-I190 HydrophobicContact CB-CB 3.89Å; A161-I190 HydrophobicContact CB-CD1 4.37Å; A161-I190 HydrophobicContact CB-CG2 3.74Å; A161-Y191 HydrophobicContact CB-CD1 4.06Å; A161-Y191 HydrophobicContact CB-CD2 4.09Å; A161-Y191 HydrophobicContact CB-CE1 3.64Å; A161-Y191 HydrophobicContact CB-CE2 3.68Å; A161-Y191 HydrophobicContact CB-CG 4.26Å; A161-Y191 VanDerWaalsContact CB-CZ 3.44Å
162Y96.9Very high94.5Very high0 Ų023.3 Ų23.30%014%0.135CC..Hα-helixtrans-64.9-39.6176.5-179.7-108.4000111.9I15 V19 A103 D104 C138 E158 V159 G160 W165 M166 Y191I15-Y162 HydrophobicContact CG2-CG 4.34Å; V19-Y162 HydrophobicContact CG2-CE2 4.33Å; A103-Y162 HydrophobicContact CB-CE1 4.26Å; D104-Y162 PolarHBondContact OD1-OH 2.98Å; C138-Y162 VanDerWaalsContact SG-CE1 3.52Å; E158-Y162 WeakPolarHBondContact O-CB 3.4Å; E158-Y162 PolarHBondContact O-N 2.9Å; V159-Y162 PolarHBondContact O-N 3.49Å; G160-Y162 PolarHBondContact O-N 2.94Å; Y162-W165 HydrophobicContact CD2-CE3 4.14Å; Y162-W165 HydrophobicContact CE2-CE3 4.1Å; Y162-W165 HydrophobicContact CE2-CZ3 4.04Å; Y162-M166 HydrophobicContact CE1-CE 4.37Å; Y162-M166 HydrophobicContact CE2-CE 4.07Å; Y162-M166 WeakPolarHBondContact O-CB 3.49Å; Y162-M166 PolarHBondContact O-N 3.47Å; Y162-M166 WeakPolarHBondContact OH-CE 3.45Å; Y162-Y191 PolarHBondContact N-OH 3.13Å
163S97Very high94.8Very high0 Ų022.9 Ų22.90%013%0.132CC..Hα-helixtrans-62.7-50.7175.5-174.60000111.1E142 V159 G160 W165 M166 Q167E142-S163 WeakPolarHBondContact OE2-CB 3.25Å; E142-S163 PolarHBondContact OE2-OG 3.3Å; V159-S163 VanDerWaalsContact O-CB 3.23Å; V159-S163 WeakPolarHBondContact O-CB 3.2Å; V159-S163 PolarHBondContact O-N 3.29Å; G160-S163 WeakPolarHBondContact O-CB 3.4Å; G160-S163 PolarHBondContact O-N 3.12Å; S163-W165 PolarHBondContact O-N 2.91Å; S163-M166 PolarHBondContact O-N 3.39Å; S163-Q167 VanDerWaalsContact O-CG 3.32Å; S163-Q167 WeakPolarHBondContact O-CG 3.5Å; S163-Q167 PolarHBondContact O-N 2.88Å; S163-Q167 PolarHBondContact OG-NE2 3.39Å
164S97.6Very high95.1Very high22 Ų2221.1 Ų21.115%0.15412%0.117CC..Hα-helixtrans-60.5-43.2176.1-65.90000112G160 A161 M166 Q167 G168 C183G160-S164 WeakPolarHBondContact O-CB 3.38Å; G160-S164 PolarHBondContact O-N 2.91Å; G160-S164 PolarHBondContact O-OG 3.45Å; A161-S164 PolarHBondContact O-N 3.35Å; S164-M166 PolarHBondContact O-N 3.23Å; S164-Q167 WeakPolarHBondContact O-CB 3.49Å; S164-Q167 PolarHBondContact O-N 3.27Å; S164-G168 PolarHBondContact O-N 3.01Å; S164-C183 WeakPolarHBondContact O-CB 3.37Å
165W97.9Very high95.2Very high15 Ų1528 Ų286%0.05714%0.136CC..Hα-helixtrans-60.3-46.1176.8175.773.8000112W107 A161 Y162 S163 Q167 G168 C169 A187W107-W165 HydrophobicContact CD2-CH2 4.45Å; W107-W165 AromaticContact CE2-CH2 3.88Å; W107-W165 AromaticContact CZ2-CH2 3.94Å; W107-W165 HydrophobicContact CZ2-CH2 3.94Å; W107-W165 HydrophobicContact CZ2-CZ2 4.45Å; W107-W165 AromaticContact NE1-CH2 3.98Å; A161-W165 VanDerWaalsContact O-CB 3.31Å; A161-W165 WeakPolarHBondContact O-CB 3.35Å; A161-W165 PolarHBondContact O-N 2.87Å; Y162-W165 HydrophobicContact CD2-CE3 4.14Å; Y162-W165 HydrophobicContact CE2-CE3 4.1Å; Y162-W165 HydrophobicContact CE2-CZ3 4.04Å; S163-W165 PolarHBondContact O-N 2.91Å; W165-Q167 VanDerWaalsContact C-N 3.32Å; W165-Q167 PolarHBondContact O-N 3.35Å; W165-G168 PolarHBondContact O-N 3.11Å; W165-C169 PolarHBondContact O-N 3.43Å; W165-C169 PolarHBondContact O-SG 2.97Å; W165-A187 HydrophobicContact CB-CB 3.95Å
166M97.6Very high95.5Very high0 Ų032.4 Ų32.40%016%0.158CC..Hα-helixtrans-64.1-36.9178.3-167.36664.800112.2W107 A134 V135 Y162 S163 S164 C169 L170W107-M166 HydrophobicContact CB-CE 3.96Å; W107-M166 HydrophobicContact CB-SD 3.83Å; W107-M166 HydrophobicContact CG-CE 4.17Å; W107-M166 HydrophobicContact CG-SD 3.99Å; A134-M166 HydrophobicContact CB-CG 4.13Å; A134-M166 HydrophobicContact CB-SD 3.87Å; V135-M166 HydrophobicContact CG2-CB 4.49Å; V135-M166 HydrophobicContact CG2-CG 3.91Å; V135-M166 WeakPolarHBondContact CG2-O 3.39Å; Y162-M166 HydrophobicContact CE1-CE 4.37Å; Y162-M166 HydrophobicContact CE2-CE 4.07Å; Y162-M166 WeakPolarHBondContact O-CB 3.49Å; Y162-M166 PolarHBondContact O-N 3.47Å; Y162-M166 WeakPolarHBondContact OH-CE 3.45Å; S163-M166 PolarHBondContact O-N 3.39Å; S164-M166 PolarHBondContact O-N 3.23Å; M166-C169 PolarHBondContact O-N 2.84Å; M166-L170 PolarHBondContact O-N 3.33Å; M166-L170 VanDerWaalsContact O-N 3.1Å
167Q98Very high95.6Very high44 Ų4431.6 Ų31.621%0.20615%0.153CC..Hα-helixtrans-64.9-43.8173-71.4177.15500111.4V135 S163 S164 W165 C169 L170 H171 C183V135-Q167 HydrophobicContact CG1-CG 3.61Å; V135-Q167 HydrophobicContact CG2-CG 4.22Å; S163-Q167 VanDerWaalsContact O-CG 3.32Å; S163-Q167 WeakPolarHBondContact O-CG 3.5Å; S163-Q167 PolarHBondContact O-N 2.88Å; S163-Q167 PolarHBondContact OG-NE2 3.39Å; S164-Q167 WeakPolarHBondContact O-CB 3.49Å; S164-Q167 PolarHBondContact O-N 3.27Å; W165-Q167 VanDerWaalsContact C-N 3.32Å; W165-Q167 PolarHBondContact O-N 3.35Å; Q167-C169 VanDerWaalsContact C-N 3.33Å; Q167-C169 PolarHBondContact O-N 3.37Å; Q167-L170 WeakPolarHBondContact O-CB 3.4Å; Q167-L170 PolarHBondContact O-N 2.94Å; Q167-L170 VanDerWaalsContact O-N 3.11Å; Q167-H171 PolarHBondContact O-CD2 3.32Å; Q167-H171 PolarHBondContact O-N 2.9Å; Q167-C183 HydrophobicContact CB-CB 4.4Å
168G97.6Very high95.7Very high0 Ų030.5 Ų30.50%016%0.156CC..Hα-helixtrans-55.6-46.7172.900000111.8S164 W165 L170 H171 F172S164-G168 PolarHBondContact O-N 3.01Å; W165-G168 PolarHBondContact O-N 3.11Å; G168-L170 PolarHBondContact O-N 3.41Å; G168-H171 PolarHBondContact O-N 2.9Å; G168-F172 VanDerWaalsContact O-CB 3.27Å; G168-F172 WeakPolarHBondContact O-CB 3.36Å; G168-F172 PolarHBondContact O-N 3.15Å
169C96.3Very high95.8Very high16 Ų1634 Ų3411%0.10817%0.174CC..Hα-helixtrans-58.8-42174.6-67.50000112.9W165 M166 Q167 E173W165-C169 PolarHBondContact O-N 3.43Å; W165-C169 PolarHBondContact O-SG 2.97Å; M166-C169 PolarHBondContact O-N 2.84Å; Q167-C169 VanDerWaalsContact C-N 3.33Å; Q167-C169 PolarHBondContact O-N 3.37Å; C169-E173 WeakPolarHBondContact O-CG 3.32Å; C169-E173 PolarHBondContact O-N 3.16Å; C169-E173 VanDerWaalsContact O-N 3.16Å
170L97.3Very high95.9Very high22 Ų2234 Ų3412%0.11517%0.174CC..Hα-helixtrans-63.4-46.9176.2169.666000111.8M128 M131 R132 V135 M166 Q167 G168 F172 E173 A174M128-L170 HydrophobicContact CE-CD1 3.57Å; M131-L170 HydrophobicContact CB-CB 4.29Å; M131-L170 HydrophobicContact CB-CD1 3.5Å; M131-L170 VanDerWaalsContact CB-CD1 3.5Å; M131-L170 HydrophobicContact CB-CG 4.45Å; R132-L170 HydrophobicContact CG-CD1 3.89Å; R132-L170 HydrophobicContact CG-CD2 4.13Å; V135-L170 HydrophobicContact CB-CD2 4.27Å; V135-L170 HydrophobicContact CG2-CB 3.84Å; V135-L170 HydrophobicContact CG2-CD2 3.8Å; V135-L170 HydrophobicContact CG2-CG 4.45Å; M166-L170 PolarHBondContact O-N 3.33Å; M166-L170 VanDerWaalsContact O-N 3.1Å; Q167-L170 WeakPolarHBondContact O-CB 3.4Å; Q167-L170 PolarHBondContact O-N 2.94Å; Q167-L170 VanDerWaalsContact O-N 3.11Å; G168-L170 PolarHBondContact O-N 3.41Å; L170-F172 VanDerWaalsContact C-N 3.33Å; L170-E173 PolarHBondContact O-N 3.21Å; L170-A174 WeakPolarHBondContact O-CB 3.46Å; L170-A174 PolarHBondContact O-N 3.42Å
171H97.7Very high96Very high39 Ų3933.9 Ų33.918%0.18117%0.173CC..Hα-helixtrans-67-35.9-179.6-74.5-59.9000112.3Q167 G168 A174 R175 M176 N179 A180Q167-H171 PolarHBondContact O-CD2 3.32Å; Q167-H171 PolarHBondContact O-N 2.9Å; G168-H171 PolarHBondContact O-N 2.9Å; H171-A174 CarbonylContact O-C 3.56Å; H171-A174 WeakPolarHBondContact O-CB 2.73Å; H171-A174 PolarHBondContact O-N 3Å; H171-R175 PolarHBondContact O-N 2.99Å; H171-R175 VanDerWaalsContact O-N 3.11Å; H171-M176 HydrophobicContact CB-CB 4.33Å; H171-M176 PolarHBondContact O-N 2.98Å; H171-N179 HydrophobicContact CB-CB 4.28Å; H171-A180 HydrophobicContact CB-CB 3.73Å
172F95.8Very high96Very high27 Ų2740.2 Ų40.212%0.11820%0.202CC..Hα-helixtrans-58.7-51.6173.5-170.6-90000111.1G168 L170 A174 R175 W177 A180 F184 P217 F220 C221 L256G168-F172 VanDerWaalsContact O-CB 3.27Å; G168-F172 WeakPolarHBondContact O-CB 3.36Å; G168-F172 PolarHBondContact O-N 3.15Å; L170-F172 VanDerWaalsContact C-N 3.33Å; F172-A174 VanDerWaalsContact C-N 3.25Å; F172-A174 PolarHBondContact O-N 3.42Å; F172-R175 PolarHBondContact O-N 2.81Å; F172-W177 HydrophobicContact CD2-CE3 4.48Å; F172-W177 HydrophobicContact CD2-CZ3 4.1Å; F172-W177 HydrophobicContact CE2-CZ3 4.04Å; F172-W177 HydrophobicContact CG-CZ3 4.5Å; F172-W177 HydrophobicContact CZ-CZ3 4.36Å; F172-A180 HydrophobicContact CB-CB 4.32Å; F172-F184 HydrophobicContact CB-CE2 4.15Å; F172-F184 HydrophobicContact CB-CZ 4.23Å; F172-F184 AromaticContact CD2-CE2 3.98Å; F172-F184 HydrophobicContact CD2-CE2 3.98Å; F172-F184 HydrophobicContact CG-CE2 4.4Å; F172-P217 HydrophobicContact CD2-CB 4.13Å; F172-P217 HydrophobicContact CE2-CB 3.81Å; F172-P217 HydrophobicContact CZ-CB 4.34Å; F172-F220 AromaticContact CE2-CD1 3.65Å; F172-F220 HydrophobicContact CE2-CD1 3.65Å; F172-F220 HydrophobicContact CE2-CE1 4.31Å; F172-F220 HydrophobicContact CE2-CG 4.44Å; F172-F220 AromaticContact CZ-CD1 3.76Å; F172-F220 HydrophobicContact CZ-CD1 3.76Å; F172-F220 HydrophobicContact CZ-CE1 4.11Å; F172-F220 HydrophobicContact CZ-CG 4.5Å; F172-C221 VanDerWaalsContact CD2-SG 3.58Å; F172-L256 HydrophobicContact CZ-CD2 3.8Å
173E92Very high96.1Very high32 Ų3240.9 Ų40.915%0.1521%0.207CC..Hα-helixtrans-66.9-27.1176.8-63.1-58.6151.900112.9M111 K114 L127 M128 M131 C169 L170 R175M111-E173 HydrophobicContact CE-CG 4.42Å; K114-E173 WeakPolarHBondContact CE-OE1 3.33Å; K114-E173 IonicContact NZ-OE1 2.67Å; K114-E173 PolarHBondContact NZ-OE1 3.43Å; K114-E173 IonicContact NZ-OE2 3.9Å; L127-E173 HydrophobicContact CD2-CB 4.08Å; L127-E173 HydrophobicContact CD2-CG 4.15Å; M128-E173 HydrophobicContact SD-CB 3.96Å; M131-E173 HydrophobicContact CE-CG 4.33Å; C169-E173 WeakPolarHBondContact O-CG 3.32Å; C169-E173 PolarHBondContact O-N 3.16Å; C169-E173 VanDerWaalsContact O-N 3.16Å; L170-E173 PolarHBondContact O-N 3.21Å; E173-R175 PolarHBondContact O-N 3.03Å
174A93.3Very high96.1Very high27 Ų2741.1 Ų41.122%0.22321%0.208CC..THydrogen-bonded Turntrans-74.7-7.6172.800000113.7M128 L170 H171 F172 M176M128-A174 HydrophobicContact CE-CB 3.73Å; L170-A174 WeakPolarHBondContact O-CB 3.46Å; L170-A174 PolarHBondContact O-N 3.42Å; H171-A174 CarbonylContact O-C 3.56Å; H171-A174 WeakPolarHBondContact O-CB 2.73Å; H171-A174 PolarHBondContact O-N 3Å; F172-A174 VanDerWaalsContact C-N 3.25Å; F172-A174 PolarHBondContact O-N 3.42Å; A174-M176 HydrophobicContact CB-CG 4.1Å; A174-M176 HydrophobicContact CB-SD 4.09Å; A174-M176 PolarHBondContact O-N 3.18Å
175R91.7Very high96.1Very high174 Ų17442.9 Ų42.966%0.65722%0.217SC*.THydrogen-bonded Turntrans61.428.2-172.3-53.6-179.1175.2-177.2-4.1113.8H171 F172 E173 W177H171-R175 PolarHBondContact O-N 2.99Å; H171-R175 VanDerWaalsContact O-N 3.11Å; F172-R175 PolarHBondContact O-N 2.81Å; E173-R175 PolarHBondContact O-N 3.03Å; R175-W177 HydrophobicContact CB-CH2 4.13Å; R175-W177 HydrophobicContact CB-CZ2 3.72Å; R175-W177 HydrophobicContact CG-CH2 4.05Å; R175-W177 HydrophobicContact CG-CZ2 3.93Å; R175-W177 PolarHBondContact O-N 2.89Å
176M93.9Very high96.1Very high98 Ų9844.6 Ų44.648%0.48323%0.23SC..  trans-96.176.9175.2-67.5172.917400109H171 A174 A178 N179 A180H171-M176 HydrophobicContact CB-CB 4.33Å; H171-M176 PolarHBondContact O-N 2.98Å; A174-M176 HydrophobicContact CB-CG 4.1Å; A174-M176 HydrophobicContact CB-SD 4.09Å; A174-M176 PolarHBondContact O-N 3.18Å; M176-A178 PolarHBondContact O-N 3.34Å; M176-N179 HydrophobicContact CB-CB 4.48Å; M176-N179 PolarHBondContact O-N 3.24Å; M176-A180 WeakPolarHBondContact O-CB 3.28Å; M176-A180 PolarHBondContact O-N 3.47Å
177W94.3Very high96.1Very high51 Ų5144.6 Ų44.619%0.19323%0.23CC..Hα-helixtrans-61.9-40.8-167.1-47.1119.2000114.1F172 R175 A180 A181 F220 C221 I225F172-W177 HydrophobicContact CD2-CE3 4.48Å; F172-W177 HydrophobicContact CD2-CZ3 4.1Å; F172-W177 HydrophobicContact CE2-CZ3 4.04Å; F172-W177 HydrophobicContact CG-CZ3 4.5Å; F172-W177 HydrophobicContact CZ-CZ3 4.36Å; R175-W177 HydrophobicContact CB-CH2 4.13Å; R175-W177 HydrophobicContact CB-CZ2 3.72Å; R175-W177 HydrophobicContact CG-CH2 4.05Å; R175-W177 HydrophobicContact CG-CZ2 3.93Å; R175-W177 PolarHBondContact O-N 2.89Å; W177-A180 PolarHBondContact O-N 2.98Å; W177-A181 WeakPolarHBondContact O-CB 3.32Å; W177-A181 PolarHBondContact O-N 2.94Å; W177-F220 HydrophobicContact CE3-CD1 4.4Å; W177-F220 HydrophobicContact CE3-CE1 4.3Å; W177-F220 HydrophobicContact CH2-CD1 4.47Å; W177-F220 AromaticContact CH2-CE1 3.65Å; W177-F220 HydrophobicContact CH2-CE1 3.65Å; W177-F220 HydrophobicContact CZ2-CE1 4.35Å; W177-F220 AromaticContact CZ3-CD1 3.99Å; W177-F220 HydrophobicContact CZ3-CD1 3.99Å; W177-F220 AromaticContact CZ3-CE1 3.62Å; W177-F220 HydrophobicContact CZ3-CE1 3.62Å; W177-C221 HydrophobicContact CB-CB 4.34Å; W177-I225 HydrophobicContact CB-CD1 4.35Å; W177-I225 HydrophobicContact CB-CG1 3.91Å
178A94.9Very high96.1Very high59 Ų5945.2 Ų45.249%0.48823%0.232SC..Hα-helixtrans-60.3-53.4179.100000111.6M176 A180 A181 E182 I225M176-A178 PolarHBondContact O-N 3.34Å; A178-A180 VanDerWaalsContact C-N 3.31Å; A178-A180 PolarHBondContact O-N 3.3Å; A178-A181 PolarHBondContact O-N 3.13Å; A178-E182 PolarHBondContact O-N 2.94Å; A178-I225 HydrophobicContact CB-CD1 4.42Å
179N96.7Very high96.1Very high75 Ų7548.1 Ų48.140%0.40125%0.25SC..Hα-helixtrans-64.2-37.9178.9-58.214000111.5H171 M176 E182 C183H171-N179 HydrophobicContact CB-CB 4.28Å; M176-N179 HydrophobicContact CB-CB 4.48Å; M176-N179 PolarHBondContact O-N 3.24Å; N179-E182 PolarHBondContact O-N 3.41Å; N179-C183 WeakPolarHBondContact O-CB 3.03Å; N179-C183 PolarHBondContact O-N 3.41Å; N179-C183 PolarHBondContact O-SG 3.44Å
180A96.9Very high96.1Very high0 Ų049.2 Ų49.20%025%0.254CS..Hα-helixtrans-62.1-45.1175.800000111.3H171 F172 M176 W177 A178 C183 F184H171-A180 HydrophobicContact CB-CB 3.73Å; F172-A180 HydrophobicContact CB-CB 4.32Å; M176-A180 WeakPolarHBondContact O-CB 3.28Å; M176-A180 PolarHBondContact O-N 3.47Å; W177-A180 PolarHBondContact O-N 2.98Å; A178-A180 VanDerWaalsContact C-N 3.31Å; A178-A180 PolarHBondContact O-N 3.3Å; A180-C183 PolarHBondContact O-N 3.37Å; A180-F184 HydrophobicContact CB-CD2 4.42Å; A180-F184 HydrophobicContact CB-CE2 4.22Å; A180-F184 WeakPolarHBondContact O-CB 3.5Å; A180-F184 WeakPolarHBondContact O-CD2 3.46Å; A180-F184 VanDerWaalsContact O-CG 3.31Å; A180-F184 WeakPolarHBondContact O-CG 3.45Å; A180-F184 PolarHBondContact O-N 2.8Å
181A96.2Very high96.1Very high11 Ų1148.1 Ų48.19%0.09125%0.248CC..Hα-helixtrans-63.3-40.2178.400000112.4W177 A178 F184 T185 L218 C221 I225W177-A181 WeakPolarHBondContact O-CB 3.32Å; W177-A181 PolarHBondContact O-N 2.94Å; A178-A181 PolarHBondContact O-N 3.13Å; A181-F184 PolarHBondContact O-N 3.29Å; A181-T185 VanDerWaalsContact O-CB 3.29Å; A181-T185 WeakPolarHBondContact O-CB 3.24Å; A181-T185 PolarHBondContact O-N 3.47Å; A181-T185 PolarHBondContact O-OG1 2.98Å; A181-L218 HydrophobicContact CB-CD1 3.99Å; A181-C221 HydrophobicContact CB-CB 3.92Å; A181-I225 HydrophobicContact CB-CD1 4.26Å
182E97.5Very high96.1Very high132 Ų13250 Ų5062%0.61726%0.257SS*.Hα-helixtrans-63.4-49.5175.4-173.5-177.2178.300111.4A178 N179 F184 T185 T186A178-E182 PolarHBondContact O-N 2.94Å; N179-E182 PolarHBondContact O-N 3.41Å; E182-F184 VanDerWaalsContact C-N 3.32Å; E182-F184 PolarHBondContact O-N 3.23Å; E182-T185 PolarHBondContact O-N 3.5Å; E182-T186 WeakPolarHBondContact O-CG2 3.44Å; E182-T186 PolarHBondContact O-N 3.01Å; E182-T186 PolarHBondContact O-OG1 3.29Å
183C97.8Very high96.1Very high15 Ų1554.3 Ų54.310%0.10128%0.278CS..Hα-helixtrans-62.5-36.8177.1-690000112.8S164 Q167 N179 A180 T186 A187S164-C183 WeakPolarHBondContact O-CB 3.37Å; Q167-C183 HydrophobicContact CB-CB 4.4Å; N179-C183 WeakPolarHBondContact O-CB 3.03Å; N179-C183 PolarHBondContact O-N 3.41Å; N179-C183 PolarHBondContact O-SG 3.44Å; A180-C183 PolarHBondContact O-N 3.37Å; C183-T186 WeakPolarHBondContact CA-OG1 3.39Å; C183-T186 PolarHBondContact O-OG1 2.76Å; C183-A187 WeakPolarHBondContact O-CB 3.49Å; C183-A187 PolarHBondContact O-N 2.87Å; C183-A187 VanDerWaalsContact O-N 3.09Å
184F98.1Very high96.2Very high4 Ų453 Ų532%0.01827%0.272CS..Hα-helixtrans-72.2-40.5175.6-74.5-41.5000112.6F172 A180 A181 E182 A187 K188 I214 P217 L218F172-F184 HydrophobicContact CB-CE2 4.15Å; F172-F184 HydrophobicContact CB-CZ 4.23Å; F172-F184 AromaticContact CD2-CE2 3.98Å; F172-F184 HydrophobicContact CD2-CE2 3.98Å; F172-F184 HydrophobicContact CG-CE2 4.4Å; A180-F184 HydrophobicContact CB-CD2 4.42Å; A180-F184 HydrophobicContact CB-CE2 4.22Å; A180-F184 WeakPolarHBondContact O-CB 3.5Å; A180-F184 WeakPolarHBondContact O-CD2 3.46Å; A180-F184 VanDerWaalsContact O-CG 3.31Å; A180-F184 WeakPolarHBondContact O-CG 3.45Å; A180-F184 PolarHBondContact O-N 2.8Å; A181-F184 PolarHBondContact O-N 3.29Å; E182-F184 VanDerWaalsContact C-N 3.32Å; E182-F184 PolarHBondContact O-N 3.23Å; F184-A187 PolarHBondContact O-N 2.95Å; F184-K188 VanDerWaalsContact O-CB 3.24Å; F184-K188 WeakPolarHBondContact O-CB 3.33Å; F184-K188 PolarHBondContact O-N 2.78Å; F184-I214 HydrophobicContact CB-CG2 3.76Å; F184-I214 HydrophobicContact CD1-CG2 4.1Å; F184-I214 HydrophobicContact CG-CG2 4.12Å; F184-P217 HydrophobicContact CE2-CB 4.06Å; F184-P217 HydrophobicContact CZ-CB 4.34Å; F184-L218 HydrophobicContact CB-CB 4.37Å; F184-L218 HydrophobicContact CB-CD1 4.06Å
185T97.5Very high96.2Very high59 Ų5952.8 Ų52.836%0.36227%0.269SS..Hα-helixtrans-60.7-49175.4-57.90000110.2A181 E182 A187 K188 T189A181-T185 VanDerWaalsContact O-CB 3.29Å; A181-T185 WeakPolarHBondContact O-CB 3.24Å; A181-T185 PolarHBondContact O-N 3.47Å; A181-T185 PolarHBondContact O-OG1 2.98Å; E182-T185 PolarHBondContact O-N 3.5Å; T185-A187 PolarHBondContact O-N 3.45Å; T185-K188 PolarHBondContact O-N 2.86Å; T185-T189 HydrophobicContact CG2-CG2 4.29Å; T185-T189 WeakPolarHBondContact O-CG2 3.34Å; T185-T189 PolarHBondContact O-N 3.44Å; T185-T189 PolarHBondContact O-OG1 2.98Å
186T97.9Very high96.2Very high52 Ų5248.5 Ų48.532%0.31927%0.265SS..Hα-helixtrans-61.4-41.417851.70000112.9E182 C183 T189 I190E182-T186 WeakPolarHBondContact O-CG2 3.44Å; E182-T186 PolarHBondContact O-N 3.01Å; E182-T186 PolarHBondContact O-OG1 3.29Å; C183-T186 WeakPolarHBondContact CA-OG1 3.39Å; C183-T186 PolarHBondContact O-OG1 2.76Å; T186-T189 PolarHBondContact O-OG1 3.43Å; T186-I190 WeakPolarHBondContact O-CD1 3.48Å; T186-I190 VanDerWaalsContact O-CG1 3.23Å; T186-I190 WeakPolarHBondContact O-CG1 3.42Å; T186-I190 PolarHBondContact O-N 3.39Å
187A97.6Very high96.1Very high0 Ų049.6 Ų49.60%027%0.272CS..Hα-helixtrans-63.7-44174.600000111.8W165 C183 F184 T185 I190 Y191 I214W165-A187 HydrophobicContact CB-CB 3.95Å; C183-A187 WeakPolarHBondContact O-CB 3.49Å; C183-A187 PolarHBondContact O-N 2.87Å; C183-A187 VanDerWaalsContact O-N 3.09Å; F184-A187 PolarHBondContact O-N 2.95Å; T185-A187 PolarHBondContact O-N 3.45Å; A187-I190 PolarHBondContact O-N 3.16Å; A187-Y191 WeakPolarHBondContact O-CD2 3.39Å; A187-Y191 PolarHBondContact O-N 2.77Å; A187-Y191 VanDerWaalsContact O-N 3.1Å; A187-I214 HydrophobicContact CB-CD1 4.19Å
188K97.5Very high95.9Very high57 Ų5748.6 Ų48.625%0.24827%0.272CS..Hα-helixtrans-62.7-48.9179.6-175.2-175.5166-169.80111.4F184 T185 I190 Y191 E192 I214 L218F184-K188 VanDerWaalsContact O-CB 3.24Å; F184-K188 WeakPolarHBondContact O-CB 3.33Å; F184-K188 PolarHBondContact O-N 2.78Å; T185-K188 PolarHBondContact O-N 2.86Å; K188-I190 VanDerWaalsContact C-N 3.33Å; K188-I190 PolarHBondContact O-N 3.08Å; K188-Y191 PolarHBondContact O-N 3.41Å; K188-Y191 VanDerWaalsContact O-N 3.15Å; K188-E192 VanDerWaalsContact CE-CD 3.49Å; K188-E192 WeakPolarHBondContact CE-OE1 3.44Å; K188-E192 HydrophobicContact CG-CG 4.43Å; K188-E192 IonicContact NZ-OE1 3.47Å; K188-E192 PolarHBondContact NZ-OE1 3.28Å; K188-E192 WeakPolarHBondContact O-CG 3.27Å; K188-E192 PolarHBondContact O-N 2.64Å; K188-I214 HydrophobicContact CB-CG2 4.31Å; K188-L218 HydrophobicContact CD-CD2 4.29Å
189T97.5Very high95.6Very high61 Ų6153.8 Ų53.837%0.37429%0.291SS..Hα-helixtrans-60.2-43.2179.654.40000111.2T185 T186 Y191 E192 E193T185-T189 HydrophobicContact CG2-CG2 4.29Å; T185-T189 WeakPolarHBondContact O-CG2 3.34Å; T185-T189 PolarHBondContact O-N 3.44Å; T185-T189 PolarHBondContact O-OG1 2.98Å; T186-T189 PolarHBondContact O-OG1 3.43Å; T189-Y191 VanDerWaalsContact C-N 3.33Å; T189-Y191 PolarHBondContact O-N 2.79Å; T189-E192 PolarHBondContact O-N 2.72Å; T189-E193 WeakPolarHBondContact O-CG 3.48Å; T189-E193 PolarHBondContact O-N 2.89Å
190I96.9Very high95.2Very high38 Ų3854.9 Ų54.920%0.19530%0.296CS..Hα-helixtrans-64.3-39.8178.4-62.2164.3000110.9L157 A161 T186 A187 K188 E193 L194L157-I190 HydrophobicContact CB-CG2 4.01Å; A161-I190 HydrophobicContact CB-CB 3.89Å; A161-I190 HydrophobicContact CB-CD1 4.37Å; A161-I190 HydrophobicContact CB-CG2 3.74Å; T186-I190 WeakPolarHBondContact O-CD1 3.48Å; T186-I190 VanDerWaalsContact O-CG1 3.23Å; T186-I190 WeakPolarHBondContact O-CG1 3.42Å; T186-I190 PolarHBondContact O-N 3.39Å; A187-I190 PolarHBondContact O-N 3.16Å; K188-I190 VanDerWaalsContact C-N 3.33Å; K188-I190 PolarHBondContact O-N 3.08Å; I190-E193 PolarHBondContact O-N 3.42Å; I190-L194 HydrophobicContact CG2-CD1 3.98Å; I190-L194 HydrophobicContact CG2-CG 4.36Å; I190-L194 WeakPolarHBondContact O-CB 3.43Å; I190-L194 VanDerWaalsContact O-CG 3.23Å; I190-L194 WeakPolarHBondContact O-CG 3.42Å; I190-L194 PolarHBondContact O-N 3.42Å
191Y97.5Very high94.9Very high0 Ų058.7 Ų58.70%032%0.323CS..Hα-helixtrans-69.3-33.5176.9-73.5-50.6000113.3L16 A161 Y162 A187 K188 T189 L194 S195 Y207 R210 I214L16-Y191 HydrophobicContact CB-CE1 4.22Å; L16-Y191 HydrophobicContact CD2-CD1 4.11Å; L16-Y191 HydrophobicContact CD2-CE1 3.72Å; L16-Y191 HydrophobicContact CG-CE1 4.44Å; A161-Y191 HydrophobicContact CB-CD1 4.06Å; A161-Y191 HydrophobicContact CB-CD2 4.09Å; A161-Y191 HydrophobicContact CB-CE1 3.64Å; A161-Y191 HydrophobicContact CB-CE2 3.68Å; A161-Y191 HydrophobicContact CB-CG 4.26Å; A161-Y191 VanDerWaalsContact CB-CZ 3.44Å; Y162-Y191 PolarHBondContact N-OH 3.13Å; A187-Y191 WeakPolarHBondContact O-CD2 3.39Å; A187-Y191 PolarHBondContact O-N 2.77Å; A187-Y191 VanDerWaalsContact O-N 3.1Å; K188-Y191 PolarHBondContact O-N 3.41Å; K188-Y191 VanDerWaalsContact O-N 3.15Å; T189-Y191 VanDerWaalsContact C-N 3.33Å; T189-Y191 PolarHBondContact O-N 2.79Å; Y191-L194 HydrophobicContact CD1-CD1 4.17Å; Y191-L194 PolarHBondContact O-N 3.01Å; Y191-S195 WeakPolarHBondContact O-CB 3.44Å; Y191-S195 PolarHBondContact O-N 2.98Å; Y191-S195 PolarHBondContact O-OG 3.26Å; Y191-Y207 AromaticContact CD1-CD1 3.52Å; Y191-Y207 HydrophobicContact CD1-CD1 3.52Å; Y191-Y207 HydrophobicContact CD1-CE1 4.04Å; Y191-Y207 HydrophobicContact CD1-CG 4.39Å; Y191-Y207 HydrophobicContact CE1-CD1 4.02Å; Y191-Y207 HydrophobicContact CE1-CE1 4.25Å; Y191-Y207 HydrophobicContact CG-CD1 4.46Å; Y191-R210 HydrophobicContact CD2-CB 4.46Å; Y191-R210 HydrophobicContact CD2-CG 3.7Å; Y191-R210 HydrophobicContact CE2-CG 3.55Å; Y191-R210 HydrophobicContact CG-CG 4.5Å; Y191-I214 HydrophobicContact CD2-CD1 4.39Å
192E96.5Very high94.7Very high77 Ų7760.9 Ų60.936%0.3634%0.341SS..Hα-helixtrans-68.1-39.4172.9-72.1173.4150.800112K188 T189 S195 S196K188-E192 VanDerWaalsContact CE-CD 3.49Å; K188-E192 WeakPolarHBondContact CE-OE1 3.44Å; K188-E192 HydrophobicContact CG-CG 4.43Å; K188-E192 IonicContact NZ-OE1 3.47Å; K188-E192 PolarHBondContact NZ-OE1 3.28Å; K188-E192 WeakPolarHBondContact O-CG 3.27Å; K188-E192 PolarHBondContact O-N 2.64Å; T189-E192 PolarHBondContact O-N 2.72Å; E192-S195 PolarHBondContact O-N 3.2Å; E192-S195 PolarHBondContact O-OG 2.96Å; E192-S196 PolarHBondContact O-N 2.84Å; E192-S196 VanDerWaalsContact O-N 3.09Å
193E95.4Very high94.4Very high118 Ų11854.7 Ų54.755%0.55131%0.312SS*.Hα-helixtrans-67.9-37.3172.8-65.5-55.9150.300111.8T189 I190 S195 S196 I197T189-E193 WeakPolarHBondContact O-CG 3.48Å; T189-E193 PolarHBondContact O-N 2.89Å; I190-E193 PolarHBondContact O-N 3.42Å; E193-S195 VanDerWaalsContact C-N 3.34Å; E193-S196 PolarHBondContact O-N 3.43Å; E193-S196 PolarHBondContact O-OG 3.38Å; E193-I197 WeakPolarHBondContact O-CD1 3.28Å; E193-I197 VanDerWaalsContact O-CG1 3.28Å; E193-I197 WeakPolarHBondContact O-CG1 3.18Å; E193-I197 PolarHBondContact O-N 2.94Å
194L94Very high94.2Very high5 Ų555.4 Ų55.43%0.02632%0.316CS..Hα-helixtrans-67.5-35.9174.7-74.1169.8000111.8A154 L157 E158 I190 Y191 S196 T198 Y207A154-L194 HydrophobicContact CB-CD2 4.19Å; L157-L194 HydrophobicContact CB-CD1 4.43Å; L157-L194 HydrophobicContact CB-CD2 4.2Å; L157-L194 HydrophobicContact CD1-CD2 4.34Å; E158-L194 HydrophobicContact CB-CD1 4.46Å; E158-L194 HydrophobicContact CG-CD1 3.56Å; I190-L194 HydrophobicContact CG2-CD1 3.98Å; I190-L194 HydrophobicContact CG2-CG 4.36Å; I190-L194 WeakPolarHBondContact O-CB 3.43Å; I190-L194 VanDerWaalsContact O-CG 3.23Å; I190-L194 WeakPolarHBondContact O-CG 3.42Å; I190-L194 PolarHBondContact O-N 3.42Å; Y191-L194 HydrophobicContact CD1-CD1 4.17Å; Y191-L194 PolarHBondContact O-N 3.01Å; L194-S196 VanDerWaalsContact C-N 3.34Å; L194-T198 WeakPolarHBondContact O-CB 3.35Å; L194-T198 PolarHBondContact O-N 3.27Å; L194-T198 VanDerWaalsContact O-N 3.13Å; L194-T198 PolarHBondContact O-OG1 3.33Å; L194-Y207 HydrophobicContact CB-CD2 4.14Å; L194-Y207 HydrophobicContact CB-CE1 4.43Å; L194-Y207 HydrophobicContact CB-CE2 3.86Å; L194-Y207 HydrophobicContact CD1-CE1 4.28Å
195S94Very high93.9Very high23 Ų2359.8 Ų59.816%0.16134%0.34CS..Hα-helixtrans-70-31.1177.1710000112.5Y191 E192 E193Y191-S195 WeakPolarHBondContact O-CB 3.44Å; Y191-S195 PolarHBondContact O-N 2.98Å; Y191-S195 PolarHBondContact O-OG 3.26Å; E192-S195 PolarHBondContact O-N 3.2Å; E192-S195 PolarHBondContact O-OG 2.96Å; E193-S195 VanDerWaalsContact C-N 3.34Å
196S92.7Very high93.8Very high84 Ų8458 Ų5859%0.58733%0.329SS*.Hα-helixtrans-73.6-31.7176.575.20000113.7E192 E193 L194E192-S196 PolarHBondContact O-N 2.84Å; E192-S196 VanDerWaalsContact O-N 3.09Å; E193-S196 PolarHBondContact O-N 3.43Å; E193-S196 PolarHBondContact O-OG 3.38Å; L194-S196 VanDerWaalsContact C-N 3.34Å
197I90.9Very high93.7Very high120 Ų12055.6 Ų55.662%0.61531%0.314SS*.Hα-helixtrans-87.2-22.3-178.3-62.3165.7000112.1E193E193-I197 WeakPolarHBondContact O-CD1 3.28Å; E193-I197 VanDerWaalsContact O-CG1 3.28Å; E193-I197 WeakPolarHBondContact O-CG1 3.18Å; E193-I197 PolarHBondContact O-N 2.94Å
198T90.6Very high93.6Very high31 Ų3158 Ų5819%0.1933%0.327CS..  trans-86.4120.5-172.6-63.90000112.2L194 L200 L203 V204 Y207L194-T198 WeakPolarHBondContact O-CB 3.35Å; L194-T198 PolarHBondContact O-N 3.27Å; L194-T198 VanDerWaalsContact O-N 3.13Å; L194-T198 PolarHBondContact O-OG1 3.33Å; T198-L200 HydrophobicContact CG2-CB 4.07Å; T198-L203 HydrophobicContact CG2-CB 4.03Å; T198-L203 HydrophobicContact CG2-CD2 3.7Å; T198-L203 HydrophobicContact CG2-CG 4.02Å; T198-V204 HydrophobicContact CG2-CG2 4.02Å; T198-V204 WeakPolarHBondContact O-CG2 3.21Å; T198-Y207 HydrophobicContact CG2-CE2 4.47Å
199D87.3Confident93.3Very high168 Ų16858.5 Ų58.590%0.89833%0.33SS*.  trans-77.2-20.1176.1-61.8-42.9000113.8S201D199-S201 PolarHBondContact O-N 2.95Å
200L89.4Confident93.2Very high97 Ų9755.8 Ų55.851%0.50831%0.313SS..  trans-79103.6-176.1-177.164.5000111.4T198 A202 L203 V204T198-L200 HydrophobicContact CG2-CB 4.07Å; L200-A202 VanDerWaalsContact C-N 3.31Å; L200-A202 PolarHBondContact O-N 2.82Å; L200-L203 HydrophobicContact CB-CB 4.2Å; L200-L203 HydrophobicContact CD2-CB 4.01Å; L200-L203 HydrophobicContact CG-CB 4.16Å; L200-L203 WeakPolarHBondContact O-CB 3.46Å; L200-L203 PolarHBondContact O-N 3.28Å; L200-V204 PolarHBondContact O-N 3.16Å
201S91.2Very high93.2Very high81 Ų8154.5 Ų54.557%0.56631%0.307SS*.Hα-helixtrans-49.3-44.6179.9163.90000114D199 L203 V204 D205D199-S201 PolarHBondContact O-N 2.95Å; S201-L203 PolarHBondContact O-N 3.26Å; S201-V204 PolarHBondContact O-N 3.06Å; S201-D205 VanDerWaalsContact O-CG 3.3Å; S201-D205 PolarHBondContact O-N 3.33Å
202A90.8Very high93Very high57 Ų5762.8 Ų62.847%0.47134%0.338SS..Hα-helixtrans-62.6-28.3-179.900000113.5L200 V206L200-A202 VanDerWaalsContact C-N 3.31Å; L200-A202 PolarHBondContact O-N 2.82Å; A202-V206 VanDerWaalsContact O-CG2 3.32Å; A202-V206 WeakPolarHBondContact O-CG2 3.4Å
203L90.7Very high92.8Very high2 Ų261.4 Ų61.41%0.0133%0.332CS..Hα-helixtrans-85.7-37.1178.8-178.761.1000111.4H14 Q17 T198 L200 S201 D205 V206 Y207H14-L203 HydrophobicContact CB-CD1 3.94Å; H14-L203 WeakPolarHBondContact CE1-CD2 3.43Å; H14-L203 VanDerWaalsContact ND1-CD2 3.31Å; H14-L203 WeakPolarHBondContact ND1-CD2 3.25Å; Q17-L203 HydrophobicContact CB-CD1 4.13Å; T198-L203 HydrophobicContact CG2-CB 4.03Å; T198-L203 HydrophobicContact CG2-CD2 3.7Å; T198-L203 HydrophobicContact CG2-CG 4.02Å; L200-L203 HydrophobicContact CB-CB 4.2Å; L200-L203 HydrophobicContact CD2-CB 4.01Å; L200-L203 HydrophobicContact CG-CB 4.16Å; L200-L203 WeakPolarHBondContact O-CB 3.46Å; L200-L203 PolarHBondContact O-N 3.28Å; S201-L203 PolarHBondContact O-N 3.26Å; L203-D205 VanDerWaalsContact C-N 3.3Å; L203-D205 PolarHBondContact O-N 3.48Å; L203-V206 WeakPolarHBondContact O-CB 3.24Å; L203-V206 PolarHBondContact O-N 3.42Å; L203-V206 VanDerWaalsContact O-N 3.1Å; L203-Y207 HydrophobicContact CD1-CE1 4.17Å; L203-Y207 HydrophobicContact CD1-CE2 4.05Å; L203-Y207 HydrophobicContact CD2-CE2 4.04Å; L203-Y207 WeakPolarHBondContact CD2-OH 3.48Å; L203-Y207 HydrophobicContact CG-CD2 4.28Å; L203-Y207 HydrophobicContact CG-CE2 3.54Å; L203-Y207 WeakPolarHBondContact O-CD2 3.42Å; L203-Y207 PolarHBondContact O-N 2.67Å
204V93.6Very high92.7Very high30 Ų3055.8 Ų55.818%0.18231%0.306CS..Hα-helixtrans-55-47.2169.8173.60000110.5T198 L200 S201 V206 Y207 D208T198-V204 HydrophobicContact CG2-CG2 4.02Å; T198-V204 WeakPolarHBondContact O-CG2 3.21Å; L200-V204 PolarHBondContact O-N 3.16Å; S201-V204 PolarHBondContact O-N 3.06Å; V204-V206 PolarHBondContact O-N 3.48Å; V204-Y207 PolarHBondContact O-N 3.16Å; V204-Y207 VanDerWaalsContact O-N 3.13Å; V204-D208 PolarHBondContact O-N 3.19Å
205D93.4Very high92.7Very high96 Ų9656.5 Ų56.551%0.51331%0.313SS..Hα-helixtrans-57.8-36.6177.2-69.7-27.4000112.4S201 L203 Q209S201-D205 VanDerWaalsContact O-CG 3.3Å; S201-D205 PolarHBondContact O-N 3.33Å; L203-D205 VanDerWaalsContact C-N 3.3Å; L203-D205 PolarHBondContact O-N 3.48Å; D205-Q209 VanDerWaalsContact O-CB 3.22Å; D205-Q209 WeakPolarHBondContact O-CB 3.47Å; D205-Q209 PolarHBondContact O-N 2.98Å
206V94Very high92.7Very high22 Ų2255.7 Ų55.713%0.13331%0.307CS..Hα-helixtrans-71.4-39.5179.2170.30000111.5L16 K20 A202 L203 V204 R210L16-V206 HydrophobicContact CB-CG1 4.41Å; L16-V206 HydrophobicContact CD2-CG1 3.77Å; L16-V206 WeakPolarHBondContact CD2-O 3.49Å; L16-V206 HydrophobicContact CG-CG1 3.7Å; K20-V206 HydrophobicContact CB-CG1 4.39Å; K20-V206 HydrophobicContact CG-CG1 4.1Å; A202-V206 VanDerWaalsContact O-CG2 3.32Å; A202-V206 WeakPolarHBondContact O-CG2 3.4Å; L203-V206 WeakPolarHBondContact O-CB 3.24Å; L203-V206 PolarHBondContact O-N 3.42Å; L203-V206 VanDerWaalsContact O-N 3.1Å; V204-V206 PolarHBondContact O-N 3.48Å; V206-R210 PolarHBondContact O-N 3.22Å; V206-R210 VanDerWaalsContact O-N 3.16Å
207Y96.1Very high92.7Very high1 Ų153 Ų530%0.00429%0.287CS..Hα-helixtrans-66.4-47173.6-62-45.6000111.2L16 E158 Y191 L194 T198 L203 V204 Q209 R210 C211L16-Y207 HydrophobicContact CB-CE1 4.39Å; L16-Y207 HydrophobicContact CD2-CD1 3.6Å; L16-Y207 HydrophobicContact CD2-CE1 4.18Å; E158-Y207 HydrophobicContact CG-CE1 4.22Å; E158-Y207 PolarHBondContact OE1-OH 3.49Å; Y191-Y207 AromaticContact CD1-CD1 3.52Å; Y191-Y207 HydrophobicContact CD1-CD1 3.52Å; Y191-Y207 HydrophobicContact CD1-CE1 4.04Å; Y191-Y207 HydrophobicContact CD1-CG 4.39Å; Y191-Y207 HydrophobicContact CE1-CD1 4.02Å; Y191-Y207 HydrophobicContact CE1-CE1 4.25Å; Y191-Y207 HydrophobicContact CG-CD1 4.46Å; L194-Y207 HydrophobicContact CB-CD2 4.14Å; L194-Y207 HydrophobicContact CB-CE1 4.43Å; L194-Y207 HydrophobicContact CB-CE2 3.86Å; L194-Y207 HydrophobicContact CD1-CE1 4.28Å; T198-Y207 HydrophobicContact CG2-CE2 4.47Å; L203-Y207 HydrophobicContact CD1-CE1 4.17Å; L203-Y207 HydrophobicContact CD1-CE2 4.05Å; L203-Y207 HydrophobicContact CD2-CE2 4.04Å; L203-Y207 WeakPolarHBondContact CD2-OH 3.48Å; L203-Y207 HydrophobicContact CG-CD2 4.28Å; L203-Y207 HydrophobicContact CG-CE2 3.54Å; L203-Y207 WeakPolarHBondContact O-CD2 3.42Å; L203-Y207 PolarHBondContact O-N 2.67Å; V204-Y207 PolarHBondContact O-N 3.16Å; V204-Y207 VanDerWaalsContact O-N 3.13Å; Y207-Q209 VanDerWaalsContact C-N 3.3Å; Y207-Q209 PolarHBondContact O-N 2.91Å; Y207-R210 WeakPolarHBondContact O-CA 3.38Å; Y207-R210 WeakPolarHBondContact O-CB 3.41Å; Y207-R210 PolarHBondContact O-N 3.01Å; Y207-C211 PolarHBondContact O-N 3.21Å; Y207-C211 PolarHBondContact O-SG 2.93Å
208D94.6Very high92.9Very high50 Ų5047.8 Ų47.827%0.26726%0.26SS..Hα-helixtrans-61.2-40.4177.8-78.3-5.3000111.6V204 R210 C211 R212V204-D208 PolarHBondContact O-N 3.19Å; D208-R210 VanDerWaalsContact C-N 3.29Å; D208-R210 PolarHBondContact O-N 3.43Å; D208-C211 PolarHBondContact O-N 3.09Å; D208-R212 VanDerWaalsContact O-CG 3.31Å; D208-R212 WeakPolarHBondContact O-CG 3.35Å; D208-R212 PolarHBondContact O-N 3.22Å
209Q93Very high92.9Very high67 Ų6749.7 Ų49.731%0.31326%0.264SS..Hα-helixtrans-57.2-44.2172.4-177.8178.129.400111D205 Y207 R212 E213D205-Q209 VanDerWaalsContact O-CB 3.22Å; D205-Q209 WeakPolarHBondContact O-CB 3.47Å; D205-Q209 PolarHBondContact O-N 2.98Å; Y207-Q209 VanDerWaalsContact C-N 3.3Å; Y207-Q209 PolarHBondContact O-N 2.91Å; Q209-R212 PolarHBondContact O-N 3.11Å; Q209-E213 WeakPolarHBondContact O-CG 3.45Å; Q209-E213 PolarHBondContact O-N 2.85Å
210R95.1Very high93.1Very high4 Ų441.7 Ų41.72%0.01522%0.221CC..Hα-helixtrans-66.5-40.1177.6178.961.272.3-176.916.6112L16 Y191 V206 Y207 D208 R212 E213 I214L16-R210 HydrophobicContact CD1-CB 4.32Å; L16-R210 HydrophobicContact CD1-CG 4.3Å; L16-R210 HydrophobicContact CD2-CB 3.7Å; L16-R210 HydrophobicContact CD2-CG 4.21Å; Y191-R210 HydrophobicContact CD2-CB 4.46Å; Y191-R210 HydrophobicContact CD2-CG 3.7Å; Y191-R210 HydrophobicContact CE2-CG 3.55Å; Y191-R210 HydrophobicContact CG-CG 4.5Å; V206-R210 PolarHBondContact O-N 3.22Å; V206-R210 VanDerWaalsContact O-N 3.16Å; Y207-R210 WeakPolarHBondContact O-CA 3.38Å; Y207-R210 WeakPolarHBondContact O-CB 3.41Å; Y207-R210 PolarHBondContact O-N 3.01Å; D208-R210 VanDerWaalsContact C-N 3.29Å; D208-R210 PolarHBondContact O-N 3.43Å; R210-R212 VanDerWaalsContact C-N 3.34Å; R210-R212 PolarHBondContact O-N 2.96Å; R210-E213 IonicContact CZ-OE2 3.09Å; R210-E213 IonicContact NE-OE2 2.76Å; R210-E213 IonicContact NH1-OE2 3.52Å; R210-E213 PolarHBondContact NH1-OE2 2.95Å; R210-E213 PolarHBondContact O-N 2.77Å; R210-I214 HydrophobicContact CG-CD1 3.88Å; R210-I214 HydrophobicContact CG-CG1 4.45Å; R210-I214 VanDerWaalsContact O-CG1 3.31Å; R210-I214 WeakPolarHBondContact O-CG1 3.41Å; R210-I214 PolarHBondContact O-N 3.26Å
211C95.8Very high93.2Very high12 Ų1237 Ų378%0.08120%0.197CC..Hα-helixtrans-61-42.4175.5-70.60000111.9Y207 D208 E213 I214 A215Y207-C211 PolarHBondContact O-N 3.21Å; Y207-C211 PolarHBondContact O-SG 2.93Å; D208-C211 PolarHBondContact O-N 3.09Å; C211-E213 VanDerWaalsContact C-N 3.33Å; C211-E213 PolarHBondContact O-N 3.05Å; C211-I214 PolarHBondContact O-N 2.76Å; C211-A215 PolarHBondContact O-N 3.19Å; C211-A215 VanDerWaalsContact O-N 3.11Å
212R93.1Very high93.3Very high173 Ų17335.5 Ų35.565%0.65318%0.181SC*.Hα-helixtrans-62.6-37.2174.3-68.7173.2-166.8175.47.7112.5D208 Q209 R210 P216D208-R212 VanDerWaalsContact O-CG 3.31Å; D208-R212 WeakPolarHBondContact O-CG 3.35Å; D208-R212 PolarHBondContact O-N 3.22Å; Q209-R212 PolarHBondContact O-N 3.11Å; R210-R212 VanDerWaalsContact C-N 3.34Å; R210-R212 PolarHBondContact O-N 2.96Å; R212-P216 WeakPolarHBondContact O-CD 3.35Å
213E92.5Very high93.2Very high49 Ų4934.1 Ų34.123%0.22916%0.164CC..Hα-helixtrans-71.7-30.8175.8-72.7172.1-171.900113.8K20 Q209 R210 C211 P217 I249K20-E213 IonicContact NZ-OE1 2.61Å; K20-E213 PolarHBondContact NZ-OE1 3.1Å; K20-E213 IonicContact NZ-OE2 3.7Å; K20-E213 PolarHBondContact NZ-OE2 3.16Å; Q209-E213 WeakPolarHBondContact O-CG 3.45Å; Q209-E213 PolarHBondContact O-N 2.85Å; R210-E213 IonicContact CZ-OE2 3.09Å; R210-E213 IonicContact NE-OE2 2.76Å; R210-E213 IonicContact NH1-OE2 3.52Å; R210-E213 PolarHBondContact NH1-OE2 2.95Å; R210-E213 PolarHBondContact O-N 2.77Å; C211-E213 VanDerWaalsContact C-N 3.33Å; C211-E213 PolarHBondContact O-N 3.05Å; E213-P217 VanDerWaalsContact O-CD 3.24Å; E213-P217 WeakPolarHBondContact O-CD 3.47Å; E213-I249 HydrophobicContact CG-CD1 4.09Å; E213-I249 HydrophobicContact CG-CG1 4.46Å
214I94.9Very high93Very high0 Ų035.5 Ų35.50%017%0.174CC..Hα-helixtrans-75.8-28.5177.4-68.9169.3000111.1F184 A187 K188 Y191 R210 C211 P217 L218F184-I214 HydrophobicContact CB-CG2 3.76Å; F184-I214 HydrophobicContact CD1-CG2 4.1Å; F184-I214 HydrophobicContact CG-CG2 4.12Å; A187-I214 HydrophobicContact CB-CD1 4.19Å; K188-I214 HydrophobicContact CB-CG2 4.31Å; Y191-I214 HydrophobicContact CD2-CD1 4.39Å; R210-I214 HydrophobicContact CG-CD1 3.88Å; R210-I214 HydrophobicContact CG-CG1 4.45Å; R210-I214 VanDerWaalsContact O-CG1 3.31Å; R210-I214 WeakPolarHBondContact O-CG1 3.41Å; R210-I214 PolarHBondContact O-N 3.26Å; C211-I214 PolarHBondContact O-N 2.76Å; I214-P217 WeakPolarHBondContact O-CD 3.5Å; I214-P217 VanDerWaalsContact O-CG 3.27Å; I214-P217 WeakPolarHBondContact O-CG 3.32Å; I214-L218 HydrophobicContact CG2-CB 4.39Å; I214-L218 VanDerWaalsContact O-CB 3.22Å; I214-L218 WeakPolarHBondContact O-CB 3.27Å; I214-L218 PolarHBondContact O-N 3.49Å
215A93.7Very high92.8Very high20 Ų2039 Ų3917%0.16519%0.191CC..Hα-helixtrans-58.7-48.6-173.900000114.2C211 L218 R219 M237C211-A215 PolarHBondContact O-N 3.19Å; C211-A215 VanDerWaalsContact O-N 3.11Å; A215-L218 PolarHBondContact O-N 3.13Å; A215-R219 WeakPolarHBondContact O-CG 3.43Å; A215-R219 PolarHBondContact O-N 3Å; A215-M237 HydrophobicContact CB-CE 4.38Å; A215-M237 HydrophobicContact CB-SD 4.32Å
216P92.4Very high92.3Very high6 Ų637.1 Ų37.14%0.03919%0.194CC..Hα-helixtrans-60.5-51.8177.2-24.333.4000115.3R212 L218 R219 F220 L234 M237 I249 L253 L256R212-P216 WeakPolarHBondContact O-CD 3.35Å; P216-L218 VanDerWaalsContact C-N 3.28Å; P216-L218 PolarHBondContact O-N 2.73Å; P216-R219 PolarHBondContact O-N 3.25Å; P216-F220 WeakPolarHBondContact O-CB 3.47Å; P216-F220 PolarHBondContact O-N 2.94Å; P216-L234 HydrophobicContact CB-CD2 4.23Å; P216-M237 HydrophobicContact CG-SD 4.38Å; P216-I249 HydrophobicContact CG-CG2 4.19Å; P216-L253 HydrophobicContact CB-CD1 3.98Å; P216-L253 HydrophobicContact CG-CD1 4.36Å; P216-L256 HydrophobicContact CB-CD1 4.04Å
217P93.2Very high91.7Very high26 Ų2638.8 Ų38.817%0.16920%0.202CC..Hα-helixtrans-65-31.5177.824.5-32.8000112.5F172 F184 E213 I214 F220 C221F172-P217 HydrophobicContact CD2-CB 4.13Å; F172-P217 HydrophobicContact CE2-CB 3.81Å; F172-P217 HydrophobicContact CZ-CB 4.34Å; F184-P217 HydrophobicContact CE2-CB 4.06Å; F184-P217 HydrophobicContact CZ-CB 4.34Å; E213-P217 VanDerWaalsContact O-CD 3.24Å; E213-P217 WeakPolarHBondContact O-CD 3.47Å; I214-P217 WeakPolarHBondContact O-CD 3.5Å; I214-P217 VanDerWaalsContact O-CG 3.27Å; I214-P217 WeakPolarHBondContact O-CG 3.32Å; P217-F220 PolarHBondContact O-N 2.61Å; P217-C221 PolarHBondContact O-N 3.4Å; P217-C221 PolarHBondContact O-SG 2.88Å
218L94.9Very high90.9Very high11 Ų1143.6 Ų43.66%0.05824%0.236CC..Hα-helixtrans-64.1-49.6174.2177.559.8000111.6A181 F184 K188 I214 A215 P216 F220 C221 Q222A181-L218 HydrophobicContact CB-CD1 3.99Å; F184-L218 HydrophobicContact CB-CB 4.37Å; F184-L218 HydrophobicContact CB-CD1 4.06Å; K188-L218 HydrophobicContact CD-CD2 4.29Å; I214-L218 HydrophobicContact CG2-CB 4.39Å; I214-L218 VanDerWaalsContact O-CB 3.22Å; I214-L218 WeakPolarHBondContact O-CB 3.27Å; I214-L218 PolarHBondContact O-N 3.49Å; A215-L218 PolarHBondContact O-N 3.13Å; P216-L218 VanDerWaalsContact C-N 3.28Å; P216-L218 PolarHBondContact O-N 2.73Å; L218-F220 VanDerWaalsContact C-N 3.32Å; L218-F220 PolarHBondContact O-N 3.26Å; L218-C221 WeakPolarHBondContact O-CB 3.46Å; L218-C221 PolarHBondContact O-N 3.03Å; L218-C221 VanDerWaalsContact O-N 3.12Å; L218-Q222 PolarHBondContact O-N 3.4Å
219R92.3Very high90.4Very high71 Ų7144.1 Ų44.127%0.26824%0.244SC..Hα-helixtrans-63.1-38.3176.3-68.7-72.3168-160.117.1112A215 P216 C221 Q222 F223 A230 D233 L234 M237A215-R219 WeakPolarHBondContact O-CG 3.43Å; A215-R219 PolarHBondContact O-N 3Å; P216-R219 PolarHBondContact O-N 3.25Å; R219-C221 VanDerWaalsContact C-N 3.31Å; R219-C221 PolarHBondContact O-N 3.45Å; R219-Q222 VanDerWaalsContact CD-OE1 3.27Å; R219-Q222 PolarHBondContact O-N 2.9Å; R219-F223 WeakPolarHBondContact O-CB 3.42Å; R219-F223 PolarHBondContact O-N 3.4Å; R219-A230 HydrophobicContact CB-CB 4.47Å; R219-A230 WeakPolarHBondContact O-CB 3.4Å; R219-D233 WeakPolarHBondContact CD-OD2 3.45Å; R219-D233 HydrophobicContact CG-CB 4.46Å; R219-D233 IonicContact CZ-OD2 2.64Å; R219-D233 VanDerWaalsContact CZ-OD2 3.23Å; R219-D233 IonicContact NE-OD2 2.67Å; R219-D233 PolarHBondContact NE-OD2 2.97Å; R219-D233 IonicContact NH1-OD2 3.69Å; R219-D233 IonicContact NH2-OD2 2.79Å; R219-L234 HydrophobicContact CB-CD1 4.35Å; R219-L234 HydrophobicContact CB-CD2 3.76Å; R219-L234 HydrophobicContact CB-CG 3.82Å; R219-M237 HydrophobicContact CG-CE 3.7Å
220F90.3Very high89.8Confident0 Ų041 Ų410%023%0.229CC..Hα-helixtrans-61.4-38.9172.9-177.3-93.2000112.8F172 W177 P216 P217 L218 S224 L234 L256 E259 C260F172-F220 AromaticContact CE2-CD1 3.65Å; F172-F220 HydrophobicContact CE2-CD1 3.65Å; F172-F220 HydrophobicContact CE2-CE1 4.31Å; F172-F220 HydrophobicContact CE2-CG 4.44Å; F172-F220 AromaticContact CZ-CD1 3.76Å; F172-F220 HydrophobicContact CZ-CD1 3.76Å; F172-F220 HydrophobicContact CZ-CE1 4.11Å; F172-F220 HydrophobicContact CZ-CG 4.5Å; W177-F220 HydrophobicContact CE3-CD1 4.4Å; W177-F220 HydrophobicContact CE3-CE1 4.3Å; W177-F220 HydrophobicContact CH2-CD1 4.47Å; W177-F220 AromaticContact CH2-CE1 3.65Å; W177-F220 HydrophobicContact CH2-CE1 3.65Å; W177-F220 HydrophobicContact CZ2-CE1 4.35Å; W177-F220 AromaticContact CZ3-CD1 3.99Å; W177-F220 HydrophobicContact CZ3-CD1 3.99Å; W177-F220 AromaticContact CZ3-CE1 3.62Å; W177-F220 HydrophobicContact CZ3-CE1 3.62Å; P216-F220 WeakPolarHBondContact O-CB 3.47Å; P216-F220 PolarHBondContact O-N 2.94Å; P217-F220 PolarHBondContact O-N 2.61Å; L218-F220 VanDerWaalsContact C-N 3.32Å; L218-F220 PolarHBondContact O-N 3.26Å; F220-S224 WeakPolarHBondContact O-CB 3.49Å; F220-S224 PolarHBondContact O-N 2.97Å; F220-S224 PolarHBondContact O-OG 2.95Å; F220-L234 HydrophobicContact CB-CD1 4.48Å; F220-L256 HydrophobicContact CB-CD1 4.19Å; F220-L256 HydrophobicContact CB-CD2 4.27Å; F220-L256 HydrophobicContact CD1-CD2 4.15Å; F220-L256 HydrophobicContact CD2-CB 3.88Å; F220-L256 HydrophobicContact CD2-CD2 3.78Å; F220-L256 HydrophobicContact CD2-CG 4.31Å; F220-L256 HydrophobicContact CE1-CD2 4.39Å; F220-L256 HydrophobicContact CE2-CB 4.4Å; F220-L256 HydrophobicContact CE2-CD2 4.06Å; F220-L256 HydrophobicContact CG-CB 4.5Å; F220-L256 HydrophobicContact CG-CD2 3.8Å; F220-L256 HydrophobicContact CZ-CD2 4.34Å; F220-E259 HydrophobicContact CE2-CB 3.77Å; F220-E259 HydrophobicContact CZ-CB 3.97Å; F220-E259 VanDerWaalsContact CZ-OE2 3.28Å; F220-E259 WeakPolarHBondContact CZ-OE2 3.4Å; F220-C260 WeakPolarHBondContact CD2-SG 3.44Å; F220-C260 VanDerWaalsContact CE2-SG 3.59Å
221C92.8Very high89.2Confident0 Ų042 Ų420%024%0.235CC..Hα-helixtrans-63.5-46.2173.6-670000111.1F172 W177 A181 P217 L218 R219 S224 I225F172-C221 VanDerWaalsContact CD2-SG 3.58Å; W177-C221 HydrophobicContact CB-CB 4.34Å; A181-C221 HydrophobicContact CB-CB 3.92Å; P217-C221 PolarHBondContact O-N 3.4Å; P217-C221 PolarHBondContact O-SG 2.88Å; L218-C221 WeakPolarHBondContact O-CB 3.46Å; L218-C221 PolarHBondContact O-N 3.03Å; L218-C221 VanDerWaalsContact O-N 3.12Å; R219-C221 VanDerWaalsContact C-N 3.31Å; R219-C221 PolarHBondContact O-N 3.45Å; C221-S224 CarbonylContact O-C 3.59Å; C221-S224 WeakPolarHBondContact O-CB 3.48Å; C221-S224 PolarHBondContact O-N 2.79Å; C221-S224 VanDerWaalsContact O-N 3.12Å; C221-I225 WeakPolarHBondContact O-CD1 3.45Å; C221-I225 VanDerWaalsContact O-CG1 3.24Å; C221-I225 WeakPolarHBondContact O-CG1 3.36Å; C221-I225 PolarHBondContact O-N 3.46Å
222Q92.2Very high88.5Confident49 Ų4944.5 Ų44.523%0.22926%0.256CS..Hα-helixtrans-60.9-45.2177.8-70.8170.1-28.500112.1L218 R219 S224 I225 G226 D227 A230L218-Q222 PolarHBondContact O-N 3.4Å; R219-Q222 VanDerWaalsContact CD-OE1 3.27Å; R219-Q222 PolarHBondContact O-N 2.9Å; Q222-S224 VanDerWaalsContact C-N 3.29Å; Q222-S224 PolarHBondContact O-N 2.87Å; Q222-I225 WeakPolarHBondContact O-CB 3.39Å; Q222-I225 PolarHBondContact O-N 3.08Å; Q222-I225 VanDerWaalsContact O-N 3.09Å; Q222-G226 PolarHBondContact O-N 3.21Å; Q222-G226 VanDerWaalsContact O-N 3.12Å; Q222-D227 HydrophobicContact CB-CB 4.12Å; Q222-D227 WeakPolarHBondContact O-CB 3.47Å; Q222-D227 PolarHBondContact O-N 3.28Å; Q222-A230 HydrophobicContact CB-CB 4.03Å
223F89.6Confident88.2Confident28 Ų2838.8 Ų38.812%0.12324%0.238CC..Hα-helixtrans-56.2-44.7172173-99.7000111.7R219 I225 G226 D227 A230 L231 C260 K263 Q264R219-F223 WeakPolarHBondContact O-CB 3.42Å; R219-F223 PolarHBondContact O-N 3.4Å; F223-I225 PolarHBondContact O-N 2.91Å; F223-G226 PolarHBondContact O-N 3.44Å; F223-G226 VanDerWaalsContact O-N 3.09Å; F223-D227 WeakPolarHBondContact CA-O 3.02Å; F223-A230 HydrophobicContact CB-CB 3.95Å; F223-L231 HydrophobicContact CD2-CB 3.9Å; F223-L231 HydrophobicContact CE2-CB 4.13Å; F223-L231 HydrophobicContact CE2-CD2 4.39Å; F223-C260 HydrophobicContact CD1-CB 4.09Å; F223-C260 WeakPolarHBondContact CD1-SG 3.47Å; F223-C260 HydrophobicContact CE1-CB 3.77Å; F223-C260 HydrophobicContact CZ-CB 4.21Å; F223-K263 HydrophobicContact CE1-CB 4.16Å; F223-K263 HydrophobicContact CE1-CD 4.28Å; F223-Q264 HydrophobicContact CE2-CG 4.18Å; F223-Q264 HydrophobicContact CZ-CG 3.67Å
224S86.4Confident87.8Confident30 Ų3036.5 Ų36.521%0.2123%0.227CC..Hα-helixtrans-70.1-18.1179.6-57.90000114F220 C221 Q222 K263F220-S224 WeakPolarHBondContact O-CB 3.49Å; F220-S224 PolarHBondContact O-N 2.97Å; F220-S224 PolarHBondContact O-OG 2.95Å; C221-S224 CarbonylContact O-C 3.59Å; C221-S224 WeakPolarHBondContact O-CB 3.48Å; C221-S224 PolarHBondContact O-N 2.79Å; C221-S224 VanDerWaalsContact O-N 3.12Å; Q222-S224 VanDerWaalsContact C-N 3.29Å; Q222-S224 PolarHBondContact O-N 2.87Å; S224-K263 PolarHBondContact OG-NZ 2.98Å
225I88.9Confident87.3Confident104 Ų10439.2 Ų39.253%0.53324%0.244SC..Hα-helixtrans-83.5-25.6172.6-67.1161.5000110.7W177 A178 A181 C221 Q222 F223W177-I225 HydrophobicContact CB-CD1 4.35Å; W177-I225 HydrophobicContact CB-CG1 3.91Å; A178-I225 HydrophobicContact CB-CD1 4.42Å; A181-I225 HydrophobicContact CB-CD1 4.26Å; C221-I225 WeakPolarHBondContact O-CD1 3.45Å; C221-I225 VanDerWaalsContact O-CG1 3.24Å; C221-I225 WeakPolarHBondContact O-CG1 3.36Å; C221-I225 PolarHBondContact O-N 3.46Å; Q222-I225 WeakPolarHBondContact O-CB 3.39Å; Q222-I225 PolarHBondContact O-N 3.08Å; Q222-I225 VanDerWaalsContact O-N 3.09Å; F223-I225 PolarHBondContact O-N 2.91Å
226G82.4Confident86.9Confident56 Ų5642.8 Ų42.858%0.57726%0.257SS*.THydrogen-bonded Turntrans131.53.1176.900000114.8Q222 F223 S228Q222-G226 PolarHBondContact O-N 3.21Å; Q222-G226 VanDerWaalsContact O-N 3.12Å; F223-G226 PolarHBondContact O-N 3.44Å; F223-G226 VanDerWaalsContact O-N 3.09Å; G226-S228 PolarHBondContact O-N 2.95Å; G226-S228 VanDerWaalsContact O-N 3.17Å
227D82.4Confident86.6Confident57 Ų5744.3 Ų44.331%0.30526%0.264SS..  trans-72109.3176.6-173.80.2000110.5Q222 F223 S229 A230Q222-D227 HydrophobicContact CB-CB 4.12Å; Q222-D227 WeakPolarHBondContact O-CB 3.47Å; Q222-D227 PolarHBondContact O-N 3.28Å; F223-D227 WeakPolarHBondContact CA-O 3.02Å; D227-S229 VanDerWaalsContact C-N 3.3Å; D227-S229 VanDerWaalsContact CG-OG 3.25Å; D227-S229 PolarHBondContact O-N 2.93Å; D227-S229 WeakPolarHBondContact OD1-CB 3.29Å; D227-S229 PolarHBondContact OD1-N 3.29Å; D227-S229 PolarHBondContact OD1-OG 3.02Å; D227-S229 PolarHBondContact OD2-OG 3.45Å; D227-A230 HydrophobicContact CB-CB 4.18Å
228S77.9Confident86.1Confident103 Ų10347.9 Ų47.972%0.7227%0.274SS*.SBendtrans-71.9-26.7-179.8-62.90000112.3G226 A230G226-S228 PolarHBondContact O-N 2.95Å; G226-S228 VanDerWaalsContact O-N 3.17Å; S228-A230 VanDerWaalsContact C-N 3.32Å; S228-A230 PolarHBondContact O-N 3.03Å
229S84.6Confident85.5Confident61 Ų6152.2 Ų52.243%0.42730%0.297SS..Hα-helixtrans-69.6-31.5-179.972.80000112.2D227 L231 A232 D233D227-S229 VanDerWaalsContact C-N 3.3Å; D227-S229 VanDerWaalsContact CG-OG 3.25Å; D227-S229 PolarHBondContact O-N 2.93Å; D227-S229 WeakPolarHBondContact OD1-CB 3.29Å; D227-S229 PolarHBondContact OD1-N 3.29Å; D227-S229 PolarHBondContact OD1-OG 3.02Å; D227-S229 PolarHBondContact OD2-OG 3.45Å; S229-L231 PolarHBondContact O-N 3.49Å; S229-L231 VanDerWaalsContact O-N 3.12Å; S229-A232 WeakPolarHBondContact O-CB 3.22Å; S229-A232 PolarHBondContact O-N 3.31Å; S229-D233 PolarHBondContact O-N 3.09Å; S229-D233 VanDerWaalsContact O-N 3.13Å
230A81.2Confident84.9Confident0 Ų054.3 Ų54.30%031%0.31CS..Hα-helixtrans-59.9-26.8-178.700000114R219 Q222 F223 D227 S228 L234R219-A230 HydrophobicContact CB-CB 4.47Å; R219-A230 WeakPolarHBondContact O-CB 3.4Å; Q222-A230 HydrophobicContact CB-CB 4.03Å; F223-A230 HydrophobicContact CB-CB 3.95Å; D227-A230 HydrophobicContact CB-CB 4.18Å; S228-A230 VanDerWaalsContact C-N 3.32Å; S228-A230 PolarHBondContact O-N 3.03Å; A230-L234 VanDerWaalsContact O-CG 3.3Å; A230-L234 WeakPolarHBondContact O-CG 3.47Å; A230-L234 PolarHBondContact O-N 2.88Å; A230-L234 VanDerWaalsContact O-N 3.11Å
231L81.3Confident84.2Confident27 Ų2755.7 Ų55.714%0.14132%0.317CS..Hα-helixtrans-71.3-42173.7-179.962.2000112.1F223 S229 D233 L234 V235 L257 C260 Q264F223-L231 HydrophobicContact CD2-CB 3.9Å; F223-L231 HydrophobicContact CE2-CB 4.13Å; F223-L231 HydrophobicContact CE2-CD2 4.39Å; S229-L231 PolarHBondContact O-N 3.49Å; S229-L231 VanDerWaalsContact O-N 3.12Å; L231-D233 VanDerWaalsContact C-N 3.28Å; L231-D233 PolarHBondContact O-N 3Å; L231-L234 PolarHBondContact O-N 3.37Å; L231-V235 WeakPolarHBondContact O-CG2 3.48Å; L231-V235 PolarHBondContact O-N 2.97Å; L231-L257 HydrophobicContact CD1-CD2 3.9Å; L231-C260 HydrophobicContact CD1-CB 3.75Å; L231-Q264 VanDerWaalsContact CD2-CD 3.41Å; L231-Q264 VanDerWaalsContact CD2-OE1 3.31Å
232A82.9Confident83.2Confident63 Ų6359.3 Ų59.352%0.52134%0.342SS..Hα-helixtrans-60.8-42.7176.700000110.1S229 L234 V235 Q236S229-A232 WeakPolarHBondContact O-CB 3.22Å; S229-A232 PolarHBondContact O-N 3.31Å; A232-L234 PolarHBondContact O-N 3.49Å; A232-V235 PolarHBondContact O-N 3.04Å; A232-Q236 WeakPolarHBondContact O-CB 3.49Å; A232-Q236 PolarHBondContact O-N 3.45Å
233D86.7Confident82Confident54 Ų5463.8 Ų63.829%0.28937%0.368SS..Hα-helixtrans-59.1-43.6174.2-71.61.2000112.4R219 S229 L231 V235 Q236 M237R219-D233 WeakPolarHBondContact CD-OD2 3.45Å; R219-D233 HydrophobicContact CG-CB 4.46Å; R219-D233 IonicContact CZ-OD2 2.64Å; R219-D233 VanDerWaalsContact CZ-OD2 3.23Å; R219-D233 IonicContact NE-OD2 2.67Å; R219-D233 PolarHBondContact NE-OD2 2.97Å; R219-D233 IonicContact NH1-OD2 3.69Å; R219-D233 IonicContact NH2-OD2 2.79Å; S229-D233 PolarHBondContact O-N 3.09Å; S229-D233 VanDerWaalsContact O-N 3.13Å; L231-D233 VanDerWaalsContact C-N 3.28Å; L231-D233 PolarHBondContact O-N 3Å; D233-V235 VanDerWaalsContact C-N 3.33Å; D233-V235 PolarHBondContact O-N 3.17Å; D233-Q236 PolarHBondContact O-N 3.12Å; D233-M237 HydrophobicContact CB-CE 4.25Å; D233-M237 VanDerWaalsContact O-CG 3.31Å; D233-M237 WeakPolarHBondContact O-CG 3.2Å; D233-M237 PolarHBondContact O-N 3.09Å
234L83.7Confident80.8Confident0 Ų067.5 Ų67.50%039%0.386CS..Hα-helixtrans-65.2-36.6177.3-74171.3000112.4P216 R219 F220 A230 L231 A232 R238 L253 L257P216-L234 HydrophobicContact CB-CD2 4.23Å; R219-L234 HydrophobicContact CB-CD1 4.35Å; R219-L234 HydrophobicContact CB-CD2 3.76Å; R219-L234 HydrophobicContact CB-CG 3.82Å; F220-L234 HydrophobicContact CB-CD1 4.48Å; A230-L234 VanDerWaalsContact O-CG 3.3Å; A230-L234 WeakPolarHBondContact O-CG 3.47Å; A230-L234 PolarHBondContact O-N 2.88Å; A230-L234 VanDerWaalsContact O-N 3.11Å; L231-L234 PolarHBondContact O-N 3.37Å; A232-L234 PolarHBondContact O-N 3.49Å; L234-R238 PolarHBondContact O-N 3.38Å; L234-L253 HydrophobicContact CD2-CD1 3.74Å; L234-L257 HydrophobicContact CB-CD2 3.67Å; L234-L257 HydrophobicContact CB-CG 4.47Å
235V84Confident79.3Confident58 Ų5872.5 Ų72.535%0.35242%0.417SS..Hα-helixtrans-67.8-43174.7172.90000110.2L231 A232 D233 R238 L239 L257L231-V235 WeakPolarHBondContact O-CG2 3.48Å; L231-V235 PolarHBondContact O-N 2.97Å; A232-V235 PolarHBondContact O-N 3.04Å; D233-V235 VanDerWaalsContact C-N 3.33Å; D233-V235 PolarHBondContact O-N 3.17Å; V235-R238 WeakPolarHBondContact O-CB 3.41Å; V235-R238 PolarHBondContact O-N 3.03Å; V235-L239 PolarHBondContact O-N 3.3Å; V235-L257 HydrophobicContact CG2-CD2 3.9Å
236Q85.6Confident77.9Confident95 Ų9574.1 Ų74.144%0.44442%0.423SS..Hα-helixtrans-60.9-47.4176.6-179.258.828.600111.7A232 D233 R238 L239 E240A232-Q236 WeakPolarHBondContact O-CB 3.49Å; A232-Q236 PolarHBondContact O-N 3.45Å; D233-Q236 PolarHBondContact O-N 3.12Å; Q236-R238 PolarHBondContact O-N 2.99Å; Q236-L239 WeakPolarHBondContact O-CB 3.37Å; Q236-L239 PolarHBondContact O-N 2.97Å; Q236-E240 WeakPolarHBondContact CG-OE1 3.36Å; Q236-E240 PolarHBondContact NE2-OE1 3.21Å; Q236-E240 PolarHBondContact O-N 2.85Å; Q236-E240 VanDerWaalsContact O-N 3.09Å
237M84.9Confident77Confident37 Ų3773.6 Ų73.618%0.18241%0.407CS..Hα-helixtrans-57.8-35.6175.1-72.5179.2-148.800112.4A215 P216 R219 D233 L239 E240 I241 L253A215-M237 HydrophobicContact CB-CE 4.38Å; A215-M237 HydrophobicContact CB-SD 4.32Å; P216-M237 HydrophobicContact CG-SD 4.38Å; R219-M237 HydrophobicContact CG-CE 3.7Å; D233-M237 HydrophobicContact CB-CE 4.25Å; D233-M237 VanDerWaalsContact O-CG 3.31Å; D233-M237 WeakPolarHBondContact O-CG 3.2Å; D233-M237 PolarHBondContact O-N 3.09Å; M237-L239 VanDerWaalsContact C-N 3.33Å; M237-E240 PolarHBondContact O-N 2.89Å; M237-I241 WeakPolarHBondContact O-CB 3.15Å; M237-I241 WeakPolarHBondContact O-CD1 3.3Å; M237-I241 WeakPolarHBondContact O-CG1 3.36Å; M237-I241 PolarHBondContact O-N 3.39Å; M237-I241 VanDerWaalsContact O-N 3.08Å; M237-L253 HydrophobicContact CB-CD2 4.33Å
238R83.1Confident76.2Confident101 Ų10174.8 Ų74.838%0.38142%0.416SS..Hα-helixtrans-65.1-39.2176.7-177.3-170.7177.3-141.3-4111.4L234 V235 Q236 S242 L250 L253 N254 L257L234-R238 PolarHBondContact O-N 3.38Å; V235-R238 WeakPolarHBondContact O-CB 3.41Å; V235-R238 PolarHBondContact O-N 3.03Å; Q236-R238 PolarHBondContact O-N 2.99Å; R238-S242 WeakPolarHBondContact O-CB 3.43Å; R238-S242 PolarHBondContact O-N 3.22Å; R238-L250 HydrophobicContact CG-CD1 4.18Å; R238-L253 VanDerWaalsContact CA-CD2 3.47Å; R238-L253 HydrophobicContact CB-CD2 3.67Å; R238-L253 HydrophobicContact CB-CG 4.42Å; R238-L253 HydrophobicContact CG-CD2 4.33Å; R238-N254 PolarHBondContact NE-OD1 3.12Å; R238-L257 HydrophobicContact CB-CD1 4.03Å; R238-L257 HydrophobicContact CG-CD1 4.26Å
239L81.6Confident76Confident103 Ų10371.9 Ų71.954%0.53939%0.392SS..Hα-helixtrans-65.2-46.2178.1-64.5172.4000110.6V235 Q236 M237 I241 S242V235-L239 PolarHBondContact O-N 3.3Å; Q236-L239 WeakPolarHBondContact O-CB 3.37Å; Q236-L239 PolarHBondContact O-N 2.97Å; M237-L239 VanDerWaalsContact C-N 3.33Å; L239-I241 VanDerWaalsContact C-N 3.3Å; L239-I241 PolarHBondContact O-N 3.41Å; L239-S242 PolarHBondContact O-N 3.19Å
240E80.6Confident75.7Confident115 Ų11571.2 Ų71.254%0.53738%0.383SS..Hα-helixtrans-63.1-33.5178.5-68.4168.4-168.800113.4Q236 M237Q236-E240 WeakPolarHBondContact CG-OE1 3.36Å; Q236-E240 PolarHBondContact NE2-OE1 3.21Å; Q236-E240 PolarHBondContact O-N 2.85Å; Q236-E240 VanDerWaalsContact O-N 3.09Å; M237-E240 PolarHBondContact O-N 2.89Å
241I76.2Confident75.7Confident28 Ų2874.2 Ų74.214%0.14440%0.403CS..Hα-helixtrans-83.1-25.5-178.3-70.6171.8000112M237 L239 D243 Q244 N247 I249 L250 L253M237-I241 WeakPolarHBondContact O-CB 3.15Å; M237-I241 WeakPolarHBondContact O-CD1 3.3Å; M237-I241 WeakPolarHBondContact O-CG1 3.36Å; M237-I241 PolarHBondContact O-N 3.39Å; M237-I241 VanDerWaalsContact O-N 3.08Å; L239-I241 VanDerWaalsContact C-N 3.3Å; L239-I241 PolarHBondContact O-N 3.41Å; I241-D243 PolarHBondContact O-N 2.86Å; I241-D243 VanDerWaalsContact O-N 3.16Å; I241-Q244 PolarHBondContact O-N 3.2Å; I241-Q244 VanDerWaalsContact O-N 3.13Å; I241-N247 HydrophobicContact CG2-CB 3.93Å; I241-N247 WeakPolarHBondContact CG2-ND2 3.48Å; I241-I249 HydrophobicContact CD1-CG2 4.23Å; I241-L250 HydrophobicContact CG2-CB 3.96Å; I241-L250 HydrophobicContact CG2-CD1 4.05Å; I241-L250 HydrophobicContact CG2-CG 4.5Å; I241-L253 HydrophobicContact CD1-CD2 4.12Å
242S70.9Confident75.7Confident77 Ų7776.5 Ų76.554%0.53842%0.416SS..Hα-helixtrans-60.5-26.4-173.8-168.80000113.3R238 L239 Q244R238-S242 WeakPolarHBondContact O-CB 3.43Å; R238-S242 PolarHBondContact O-N 3.22Å; L239-S242 PolarHBondContact O-N 3.19Å; S242-Q244 PolarHBondContact O-N 3.11Å
243D67.3Low75.7Confident143 Ų14373.6 Ų73.677%0.76539%0.391SS*.THydrogen-bonded Turntrans-80.60.1-178-65.1-23.5000113.5I241I241-D243 PolarHBondContact O-N 2.86Å; I241-D243 VanDerWaalsContact O-N 3.16Å
244Q64.9Low75.4Confident106 Ų10673.5 Ų73.550%0.49539%0.391SS..  trans-112.8115.8-176.2-70.1-174.911.200112I241 S242 E246 N247I241-Q244 PolarHBondContact O-N 3.2Å; I241-Q244 VanDerWaalsContact O-N 3.13Å; S242-Q244 PolarHBondContact O-N 3.11Å; Q244-E246 PolarHBondContact O-N 3.42Å; Q244-N247 WeakPolarHBondContact CB-ND2 3.48Å; Q244-N247 PolarHBondContact OE1-ND2 3.39Å; Q244-N247 PolarHBondContact OE1-OD1 3.12Å
245P54.1Low75.5Confident135 Ų13579.2 Ų79.288%0.87742%0.415SS*.THydrogen-bonded Turntrans-73.1-18-168.426.1-33.7000115.4
246E59.5Low75.5Confident137 Ų13777.4 Ų77.464%0.6440%0.404SS*.THydrogen-bonded Turntrans-114.335.6-176.8-67.8-157.8-174.600114.1R29 Q244 T248R29-E246 IonicContact CZ-OE2 3.4Å; R29-E246 IonicContact NH2-OE1 2.95Å; R29-E246 IonicContact NH2-OE2 3.49Å; R29-E246 PolarHBondContact NH2-OE2 3.04Å; Q244-E246 PolarHBondContact O-N 3.42Å; E246-T248 PolarHBondContact O-N 2.97Å
247N62.8Low75.3Confident45 Ų4573.1 Ų73.124%0.24138%0.384CS..  trans-89.1108.2-175.5-85.9-14.8000114.6I241 Q244 I249 L250I241-N247 HydrophobicContact CG2-CB 3.93Å; I241-N247 WeakPolarHBondContact CG2-ND2 3.48Å; Q244-N247 WeakPolarHBondContact CB-ND2 3.48Å; Q244-N247 PolarHBondContact OE1-ND2 3.39Å; Q244-N247 PolarHBondContact OE1-OD1 3.12Å; N247-I249 PolarHBondContact O-N 3.12Å; N247-L250 HydrophobicContact CB-CB 4.49Å; N247-L250 PolarHBondContact O-N 3.49Å
248T67.4Low75.1Confident83 Ų8374.5 Ų74.551%0.50940%0.395SS..THydrogen-bonded Turntrans-62.5-19.3172.4-41.40000113E246 P251E246-T248 PolarHBondContact O-N 2.97Å; T248-P251 WeakPolarHBondContact O-CD 3.43Å; T248-P251 WeakPolarHBondContact O-CG 3.49Å
249I73.2Confident75.1Confident42 Ų4273.7 Ų73.722%0.21540%0.395CS..THydrogen-bonded Turntrans-82-34.8-175.7-56.7174000112.2E213 P216 I241 N247 D252 L253E213-I249 HydrophobicContact CG-CD1 4.09Å; E213-I249 HydrophobicContact CG-CG1 4.46Å; P216-I249 HydrophobicContact CG-CG2 4.19Å; I241-I249 HydrophobicContact CD1-CG2 4.23Å; N247-I249 PolarHBondContact O-N 3.12Å; I249-D252 PolarHBondContact O-N 3.44Å; I249-D252 VanDerWaalsContact O-N 3.13Å; I249-L253 PolarHBondContact O-N 3.42Å
250L78.7Confident75Confident46 Ų4668.8 Ų68.824%0.24137%0.369CS..Hα-helixtrans-53.3-45.3-175.1-174.360.7000114.9R238 I241 N247 D252 L253 N254R238-L250 HydrophobicContact CG-CD1 4.18Å; I241-L250 HydrophobicContact CG2-CB 3.96Å; I241-L250 HydrophobicContact CG2-CD1 4.05Å; I241-L250 HydrophobicContact CG2-CG 4.5Å; N247-L250 HydrophobicContact CB-CB 4.49Å; N247-L250 PolarHBondContact O-N 3.49Å; L250-D252 VanDerWaalsContact C-N 3.34Å; L250-D252 PolarHBondContact O-N 3.46Å; L250-L253 PolarHBondContact O-N 3.01Å; L250-N254 PolarHBondContact O-N 3.45Å; L250-N254 PolarHBondContact O-ND2 2.92Å
251P80.8Confident74.9Confident64 Ų6470 Ų7042%0.41637%0.369SS..Hα-helixtrans-65.2-36.8179.124.6-34.8000112.7T248 K255T248-P251 WeakPolarHBondContact O-CD 3.43Å; T248-P251 WeakPolarHBondContact O-CG 3.49Å; P251-K255 WeakPolarHBondContact O-CG 3.41Å; P251-K255 PolarHBondContact O-N 3.12Å; P251-K255 VanDerWaalsContact O-N 3.16Å
252D80.8Confident74.7Confident75 Ų7573 Ų7340%0.40138%0.382SS..Hα-helixtrans-73.9-36.7178.6-72.7-16.3000111.1I249 L250 K255 L256I249-D252 PolarHBondContact O-N 3.44Å; I249-D252 VanDerWaalsContact O-N 3.13Å; L250-D252 VanDerWaalsContact C-N 3.34Å; L250-D252 PolarHBondContact O-N 3.46Å; D252-K255 WeakPolarHBondContact O-CB 3.3Å; D252-K255 PolarHBondContact O-N 3.29Å; D252-K255 IonicContact OD1-NZ 3.28Å; D252-K255 PolarHBondContact OD1-NZ 3.42Å; D252-L256 WeakPolarHBondContact O-CG 3.39Å; D252-L256 PolarHBondContact O-N 3.25Å
253L82.7Confident74.8Confident1 Ų171.9 Ų71.91%0.00537%0.368CS..Hα-helixtrans-61.3-44.4171.8-177.164.7000112.2P216 L234 M237 R238 I241 I249 L250 K255 L256 L257P216-L253 HydrophobicContact CB-CD1 3.98Å; P216-L253 HydrophobicContact CG-CD1 4.36Å; L234-L253 HydrophobicContact CD2-CD1 3.74Å; M237-L253 HydrophobicContact CB-CD2 4.33Å; R238-L253 VanDerWaalsContact CA-CD2 3.47Å; R238-L253 HydrophobicContact CB-CD2 3.67Å; R238-L253 HydrophobicContact CB-CG 4.42Å; R238-L253 HydrophobicContact CG-CD2 4.33Å; I241-L253 HydrophobicContact CD1-CD2 4.12Å; I249-L253 PolarHBondContact O-N 3.42Å; L250-L253 PolarHBondContact O-N 3.01Å; L253-K255 VanDerWaalsContact C-N 3.3Å; L253-K255 PolarHBondContact O-N 2.87Å; L253-L256 PolarHBondContact O-N 3Å; L253-L257 HydrophobicContact CG-CD1 4.28Å; L253-L257 WeakPolarHBondContact O-CG 3.29Å; L253-L257 PolarHBondContact O-N 2.89Å
254N81.5Confident74.9Confident53 Ų5369.5 Ų69.528%0.28335%0.352SS..Hα-helixtrans-62-36.9176.2-75.5-33.5000112.3R238 L250 T258R238-N254 PolarHBondContact NE-OD1 3.12Å; L250-N254 PolarHBondContact O-N 3.45Å; L250-N254 PolarHBondContact O-ND2 2.92Å; N254-T258 WeakPolarHBondContact O-CB 3.48Å; N254-T258 PolarHBondContact O-N 3.4Å; N254-T258 PolarHBondContact O-OG1 3.36Å
255K84.5Confident74.8Confident119 Ų11965.4 Ų65.452%0.51734%0.336SS..Hα-helixtrans-63.6-47.6173.2-69.6169.4-161.8157.40111.1P251 D252 L253 L257 T258 E259P251-K255 WeakPolarHBondContact O-CG 3.41Å; P251-K255 PolarHBondContact O-N 3.12Å; P251-K255 VanDerWaalsContact O-N 3.16Å; D252-K255 WeakPolarHBondContact O-CB 3.3Å; D252-K255 PolarHBondContact O-N 3.29Å; D252-K255 IonicContact OD1-NZ 3.28Å; D252-K255 PolarHBondContact OD1-NZ 3.42Å; L253-K255 VanDerWaalsContact C-N 3.3Å; L253-K255 PolarHBondContact O-N 2.87Å; K255-L257 VanDerWaalsContact C-N 3.34Å; K255-L257 PolarHBondContact O-N 3.1Å; K255-T258 WeakPolarHBondContact O-CB 3.3Å; K255-T258 PolarHBondContact O-N 2.98Å; K255-E259 WeakPolarHBondContact O-CG 3.43Å; K255-E259 PolarHBondContact O-N 3Å
256L83.8Confident75Confident20 Ų2062.5 Ų62.511%0.10531%0.314CS..Hα-helixtrans-60.4-42.7177.5-66.4179.1000111.9F172 P216 F220 D252 L253 T258 E259 C260F172-L256 HydrophobicContact CZ-CD2 3.8Å; P216-L256 HydrophobicContact CB-CD1 4.04Å; F220-L256 HydrophobicContact CB-CD1 4.19Å; F220-L256 HydrophobicContact CB-CD2 4.27Å; F220-L256 HydrophobicContact CD1-CD2 4.15Å; F220-L256 HydrophobicContact CD2-CB 3.88Å; F220-L256 HydrophobicContact CD2-CD2 3.78Å; F220-L256 HydrophobicContact CD2-CG 4.31Å; F220-L256 HydrophobicContact CE1-CD2 4.39Å; F220-L256 HydrophobicContact CE2-CB 4.4Å; F220-L256 HydrophobicContact CE2-CD2 4.06Å; F220-L256 HydrophobicContact CG-CB 4.5Å; F220-L256 HydrophobicContact CG-CD2 3.8Å; F220-L256 HydrophobicContact CZ-CD2 4.34Å; D252-L256 WeakPolarHBondContact O-CG 3.39Å; D252-L256 PolarHBondContact O-N 3.25Å; L253-L256 PolarHBondContact O-N 3Å; L256-T258 VanDerWaalsContact C-N 3.34Å; L256-T258 PolarHBondContact O-N 3.44Å; L256-E259 PolarHBondContact O-N 3.42Å; L256-C260 PolarHBondContact O-N 3.37Å; L256-C260 PolarHBondContact O-SG 2.94Å
257L82.9Confident74.6Confident5 Ų561.6 Ų61.63%0.02632%0.317CS..Hα-helixtrans-63.7-39.2176-76.3171.7000112.5L231 L234 V235 R238 L253 K255 C260 R261L231-L257 HydrophobicContact CD1-CD2 3.9Å; L234-L257 HydrophobicContact CB-CD2 3.67Å; L234-L257 HydrophobicContact CB-CG 4.47Å; V235-L257 HydrophobicContact CG2-CD2 3.9Å; R238-L257 HydrophobicContact CB-CD1 4.03Å; R238-L257 HydrophobicContact CG-CD1 4.26Å; L253-L257 HydrophobicContact CG-CD1 4.28Å; L253-L257 WeakPolarHBondContact O-CG 3.29Å; L253-L257 PolarHBondContact O-N 2.89Å; K255-L257 VanDerWaalsContact C-N 3.34Å; K255-L257 PolarHBondContact O-N 3.1Å; L257-C260 PolarHBondContact O-N 3.07Å; L257-R261 VanDerWaalsContact O-CG 3.32Å; L257-R261 WeakPolarHBondContact O-CG 3.36Å; L257-R261 PolarHBondContact O-N 3.05Å
258T80.1Confident73.9Confident67 Ų6761.7 Ų61.741%0.41132%0.324SS..Hα-helixtrans-64.2-43.2174.7-55.10000110.7N254 K255 L256 R261 Q262N254-T258 WeakPolarHBondContact O-CB 3.48Å; N254-T258 PolarHBondContact O-N 3.4Å; N254-T258 PolarHBondContact O-OG1 3.36Å; K255-T258 WeakPolarHBondContact O-CB 3.3Å; K255-T258 PolarHBondContact O-N 2.98Å; L256-T258 VanDerWaalsContact C-N 3.34Å; L256-T258 PolarHBondContact O-N 3.44Å; T258-R261 PolarHBondContact O-N 3.5Å; T258-Q262 VanDerWaalsContact O-CG 3.31Å; T258-Q262 WeakPolarHBondContact O-CG 3.46Å; T258-Q262 PolarHBondContact O-N 3.39Å
259E82.2Confident72.9Confident83 Ų8364.9 Ų64.939%0.38833%0.333SS..Hα-helixtrans-63.5-38.8174-73.2-175-154.600112.4F220 K255 L256 Q262 K263F220-E259 HydrophobicContact CE2-CB 3.77Å; F220-E259 HydrophobicContact CZ-CB 3.97Å; F220-E259 VanDerWaalsContact CZ-OE2 3.28Å; F220-E259 WeakPolarHBondContact CZ-OE2 3.4Å; K255-E259 WeakPolarHBondContact O-CG 3.43Å; K255-E259 PolarHBondContact O-N 3Å; L256-E259 PolarHBondContact O-N 3.42Å; E259-Q262 PolarHBondContact O-N 3.13Å; E259-K263 WeakPolarHBondContact O-CB 3.38Å; E259-K263 WeakPolarHBondContact O-CG 3.07Å; E259-K263 PolarHBondContact O-N 2.96Å
260C80.8Confident71.7Confident0 Ų063.4 Ų63.40%033%0.327CS..Hα-helixtrans-62-48.3174.4-720000111.4F220 F223 L231 L256 L257 Q262 K263 Q264F220-C260 WeakPolarHBondContact CD2-SG 3.44Å; F220-C260 VanDerWaalsContact CE2-SG 3.59Å; F223-C260 HydrophobicContact CD1-CB 4.09Å; F223-C260 WeakPolarHBondContact CD1-SG 3.47Å; F223-C260 HydrophobicContact CE1-CB 3.77Å; F223-C260 HydrophobicContact CZ-CB 4.21Å; L231-C260 HydrophobicContact CD1-CB 3.75Å; L256-C260 PolarHBondContact O-N 3.37Å; L256-C260 PolarHBondContact O-SG 2.94Å; L257-C260 PolarHBondContact O-N 3.07Å; C260-Q262 VanDerWaalsContact C-N 3.31Å; C260-Q262 PolarHBondContact O-N 2.92Å; C260-K263 WeakPolarHBondContact O-CB 3.48Å; C260-K263 PolarHBondContact O-N 3.26Å; C260-K263 VanDerWaalsContact O-N 3.12Å; C260-Q264 WeakPolarHBondContact O-CG 3.39Å; C260-Q264 PolarHBondContact O-N 2.76Å
261R78.2Confident70.5Confident140 Ų14065.3 Ų65.353%0.52833%0.334SS..Hα-helixtrans-59.7-41.9177.3-72170.4179.2179.8-3.2111.7L257 T258 Q264 A265L257-R261 VanDerWaalsContact O-CG 3.32Å; L257-R261 WeakPolarHBondContact O-CG 3.36Å; L257-R261 PolarHBondContact O-N 3.05Å; T258-R261 PolarHBondContact O-N 3.5Å; R261-Q264 PolarHBondContact O-N 2.95Å; R261-A265 WeakPolarHBondContact O-CB 3.31Å; R261-A265 PolarHBondContact O-N 3.17Å
262Q71.7Confident69.2Low91 Ų9163.3 Ų63.343%0.42532%0.321SS..Hα-helixtrans-63.6-40.6174.4-73.4175.1-0.400112.2T258 E259 C260 A265 N266T258-Q262 VanDerWaalsContact O-CG 3.31Å; T258-Q262 WeakPolarHBondContact O-CG 3.46Å; T258-Q262 PolarHBondContact O-N 3.39Å; E259-Q262 PolarHBondContact O-N 3.13Å; C260-Q262 VanDerWaalsContact C-N 3.31Å; C260-Q262 PolarHBondContact O-N 2.92Å; Q262-A265 PolarHBondContact O-N 3.44Å; Q262-N266 VanDerWaalsContact O-CG 3.24Å; Q262-N266 PolarHBondContact O-N 3.01Å; Q262-N266 PolarHBondContact O-ND2 2.87Å
263K72.8Confident67.6Low55 Ų5566 Ų6624%0.23933%0.332CS..Hα-helixtrans-65.3-41.5174.7-77.1176.1176.9172.70112.1F223 S224 E259 C260 A265 N266 V267F223-K263 HydrophobicContact CE1-CB 4.16Å; F223-K263 HydrophobicContact CE1-CD 4.28Å; S224-K263 PolarHBondContact OG-NZ 2.98Å; E259-K263 WeakPolarHBondContact O-CB 3.38Å; E259-K263 WeakPolarHBondContact O-CG 3.07Å; E259-K263 PolarHBondContact O-N 2.96Å; C260-K263 WeakPolarHBondContact O-CB 3.48Å; C260-K263 PolarHBondContact O-N 3.26Å; C260-K263 VanDerWaalsContact O-N 3.12Å; K263-A265 VanDerWaalsContact C-N 3.34Å; K263-N266 WeakPolarHBondContact O-CB 3.22Å; K263-N266 PolarHBondContact O-N 3.31Å; K263-N266 VanDerWaalsContact O-N 3.13Å; K263-V267 WeakPolarHBondContact O-CG2 3.37Å; K263-V267 PolarHBondContact O-N 3.35Å
264Q68.6Low65.7Low93 Ų9368.6 Ų68.644%0.43534%0.342SS..Hα-helixtrans-61.4-43.8173.6-69.3-175.2-47.900111.5F223 L231 C260 R261 N266 V267 A268F223-Q264 HydrophobicContact CE2-CG 4.18Å; F223-Q264 HydrophobicContact CZ-CG 3.67Å; L231-Q264 VanDerWaalsContact CD2-CD 3.41Å; L231-Q264 VanDerWaalsContact CD2-OE1 3.31Å; C260-Q264 WeakPolarHBondContact O-CG 3.39Å; C260-Q264 PolarHBondContact O-N 2.76Å; R261-Q264 PolarHBondContact O-N 2.95Å; Q264-N266 PolarHBondContact O-N 2.98Å; Q264-V267 PolarHBondContact O-N 3.35Å; Q264-A268 PolarHBondContact O-N 3.34Å
265A62.9Low63.5Low19 Ų1971 Ų7116%0.15736%0.362CS..Hα-helixtrans-62.7-27175.100000113.1R261 Q262 K263 N292R261-A265 WeakPolarHBondContact O-CB 3.31Å; R261-A265 PolarHBondContact O-N 3.17Å; Q262-A265 PolarHBondContact O-N 3.44Å; K263-A265 VanDerWaalsContact C-N 3.34Å; A265-N292 WeakPolarHBondContact CB-ND2 3.38Å
266N58.7Low61.5Low75 Ų7568.8 Ų68.840%0.40137%0.373SS..Hα-helixtrans-81.4-34.8174.7-73.8-31.2000113.6Q262 K263 Q264 Q288Q262-N266 VanDerWaalsContact O-CG 3.24Å; Q262-N266 PolarHBondContact O-N 3.01Å; Q262-N266 PolarHBondContact O-ND2 2.87Å; K263-N266 WeakPolarHBondContact O-CB 3.22Å; K263-N266 PolarHBondContact O-N 3.31Å; K263-N266 VanDerWaalsContact O-N 3.13Å; Q264-N266 PolarHBondContact O-N 2.98Å; N266-Q288 PolarHBondContact OD1-NE2 3.23Å; N266-Q288 VanDerWaalsContact OD1-NE2 3.09Å; N266-Q288 PolarHBondContact OD1-OE1 2.86Å
267V50.8Low59.3Low118 Ų11872.9 Ų72.972%0.71539%0.388SS*.Hα-helixtrans-83.1-25.2-178.5174.40000112.1K263 Q264 E269K263-V267 WeakPolarHBondContact O-CG2 3.37Å; K263-V267 PolarHBondContact O-N 3.35Å; Q264-V267 PolarHBondContact O-N 3.35Å; V267-E269 PolarHBondContact O-N 3.36Å
268A49.1Very low57.8Low47 Ų4778.6 Ų78.639%0.38841%0.412SS..SBendtrans-62.480.6148.900000106.2Q264 S270Q264-A268 PolarHBondContact O-N 3.34Å; A268-S270 PolarHBondContact O-N 2.93Å; A268-S270 PolarHBondContact O-OG 3.17Å
269E45.7Very low56.4Low149 Ų14975.7 Ų75.770%0.69639%0.394SS*.  trans-51.692.1154-65.4179.4156.700103.9V267 E271V267-E269 PolarHBondContact O-N 3.36Å; E269-E271 HydrophobicContact CB-CG 4.05Å; E269-E271 PolarHBondContact O-N 3.39Å
270S48.8Very low54.9Low12 Ų1277 Ų778%0.08440%0.403CS..  trans-66.862.4166-52.40000106.1A268 V272 F281 Y291A268-S270 PolarHBondContact O-N 2.93Å; A268-S270 PolarHBondContact O-OG 3.17Å; S270-V272 PolarHBondContact O-N 3.4Å; S270-F281 VanDerWaalsContact O-CD2 3.29Å; S270-F281 WeakPolarHBondContact O-CD2 3.31Å; S270-F281 WeakPolarHBondContact O-CE2 3.4Å; S270-Y291 VanDerWaalsContact OG-CD1 3.27Å; S270-Y291 WeakPolarHBondContact OG-CD1 3.42Å; S270-Y291 WeakPolarHBondContact OG-CE1 2.84Å
271E52.8Low53.8Low85 Ų8577.6 Ų77.640%0.39741%0.406SS..  trans-65.480.1164-68.6-156.5158.600105.4E269 M273 K278E269-E271 HydrophobicContact CB-CG 4.05Å; E269-E271 PolarHBondContact O-N 3.39Å; E271-M273 PolarHBondContact O-N 3.08Å; E271-M273 VanDerWaalsContact O-N 3.12Å; E271-K278 IonicContact OE1-NZ 3.99Å; E271-K278 IonicContact OE2-NZ 3.8Å; E271-K278 PolarHBondContact OE2-NZ 3.05Å
272V53.8Low52.5Low22 Ų2275.4 Ų75.413%0.13341%0.412CS..EExtended strand (participates in β ladder)trans-75.2109.4171.4176.40000106.1S270 W274 L279 F281 Y291S270-V272 PolarHBondContact O-N 3.4Å; V272-W274 PolarHBondContact O-N 3.34Å; V272-L279 PolarHBondContact N-O 3.12Å; V272-L279 PolarHBondContact O-N 3.1Å; V272-F281 HydrophobicContact CB-CE2 3.85Å; V272-F281 HydrophobicContact CB-CZ 4.34Å; V272-F281 HydrophobicContact CG2-CE2 3.58Å; V272-F281 HydrophobicContact CG2-CZ 4.3Å; V272-Y291 HydrophobicContact CG2-CD2 4.44Å; V272-Y291 HydrophobicContact CG2-CE1 4.46Å; V272-Y291 HydrophobicContact CG2-CE2 3.57Å; V272-Y291 WeakPolarHBondContact CG2-OH 3.39Å
273M47.8Very low51.6Low131 Ų13179.2 Ų79.265%0.64542%0.423SS*.EExtended strand (participates in β ladder)trans-74.6113.1165.8-75.4-128.4-66.500108.8E271 R277 K278E271-M273 PolarHBondContact O-N 3.08Å; E271-M273 VanDerWaalsContact O-N 3.12Å; M273-R277 CarbonylContact C-O 3.58Å; M273-R277 WeakPolarHBondContact CA-O 3.42Å; M273-K278 HydrophobicContact CG-CG 4.42Å; M273-K278 HydrophobicContact SD-CG 4.45Å
274W42.3Very low51.2Low57 Ų5777.1 Ų77.122%0.21642%0.415CS..EExtended strand (participates in β ladder)trans-122.5124.1176.1-17571.3000112V272 G276 R277 L279 Q380 I384V272-W274 PolarHBondContact O-N 3.34Å; W274-G276 PolarHBondContact O-N 3.03Å; W274-R277 PolarHBondContact N-O 3.13Å; W274-R277 PolarHBondContact O-N 3.42Å; W274-L279 HydrophobicContact CB-CD1 4.27Å; W274-Q380 VanDerWaalsContact CD1-NE2 3.27Å; W274-Q380 VanDerWaalsContact CD1-OE1 3.28Å; W274-Q380 HydrophobicContact CG-CG 4.41Å; W274-I384 HydrophobicContact CB-CD1 4.47Å; W274-I384 HydrophobicContact CB-CG1 4.14Å; W274-I384 HydrophobicContact CD2-CD1 2.94Å; W274-I384 HydrophobicContact CD2-CG1 3.34Å; W274-I384 HydrophobicContact CE3-CB 4.17Å; W274-I384 HydrophobicContact CE3-CD1 3.2Å; W274-I384 HydrophobicContact CE3-CG1 3.29Å; W274-I384 HydrophobicContact CE3-CG2 3.87Å; W274-I384 HydrophobicContact CG-CD1 3.5Å; W274-I384 HydrophobicContact CG-CG1 3.66Å; W274-I384 HydrophobicContact CH2-CD1 3.44Å; W274-I384 VanDerWaalsContact CH2-CD1 3.44Å; W274-I384 HydrophobicContact CH2-CG1 4.32Å; W274-I384 HydrophobicContact CZ2-CD1 3.24Å; W274-I384 HydrophobicContact CZ2-CG1 4.4Å; W274-I384 HydrophobicContact CZ3-CB 4.27Å; W274-I384 HydrophobicContact CZ3-CD1 3.43Å; W274-I384 VanDerWaalsContact CZ3-CD1 3.43Å; W274-I384 HydrophobicContact CZ3-CG1 3.81Å; W274-I384 HydrophobicContact CZ3-CG2 3.77Å
275C35.6Very low51Low102 Ų10276.3 Ų76.369%0.68942%0.416SS*.THydrogen-bonded Turntrans41.344.7-176.7-69.70000112.9
276G41.4Very low51.3Low74 Ų7482.6 Ų82.676%0.76344%0.436SS*.THydrogen-bonded Turntrans78.813.4-179.700000115.9W274W274-G276 PolarHBondContact O-N 3.03Å
277R38Very low51.7Low106 Ų10679.9 Ų79.940%0.442%0.422SS..EExtended strand (participates in β ladder)trans-124.4140.9179.7-61.8-173.5178.11772.3112.5M273 W274 F388M273-R277 CarbonylContact C-O 3.58Å; M273-R277 WeakPolarHBondContact CA-O 3.42Å; W274-R277 PolarHBondContact N-O 3.13Å; W274-R277 PolarHBondContact O-N 3.42Å; R277-F388 HydrophobicContact CB-CE2 4.47Å
278K51.1Low52.4Low125 Ų12574.6 Ų74.654%0.54339%0.39SS..EExtended strand (participates in β ladder)trans-88.2124.8179.8-60-173.1167.6-140.10111.5E271 M273E271-K278 IonicContact OE1-NZ 3.99Å; E271-K278 IonicContact OE2-NZ 3.8Å; E271-K278 PolarHBondContact OE2-NZ 3.05Å; M273-K278 HydrophobicContact CG-CG 4.42Å; M273-K278 HydrophobicContact SD-CG 4.45Å
279L51.6Low53.4Low5 Ų575.6 Ų75.63%0.02639%0.394CS..EExtended strand (participates in β ladder)trans-108.2132.4175.8-61.1174.7000110.6V272 W274 F281 I384 V387 F388V272-L279 PolarHBondContact N-O 3.12Å; V272-L279 PolarHBondContact O-N 3.1Å; W274-L279 HydrophobicContact CB-CD1 4.27Å; L279-F281 HydrophobicContact CB-CE2 4.12Å; L279-F281 HydrophobicContact CB-CZ 3.91Å; L279-F281 HydrophobicContact CD1-CZ 4.21Å; L279-I384 HydrophobicContact CD1-CG1 3.9Å; L279-V387 HydrophobicContact CD2-CB 4.26Å; L279-V387 HydrophobicContact CD2-CG1 4.01Å; L279-F388 HydrophobicContact CD2-CD2 4.02Å
280N51.3Low54.6Low110 Ų11069.5 Ų69.559%0.58837%0.365SS*.  trans-113.4109.7-179.5-66.33.1000110.4S282N280-S282 VanDerWaalsContact C-N 3.28Å; N280-S282 PolarHBondContact O-N 3.09Å
281F56.7Low55.6Low14 Ų1471.4 Ų71.46%0.06137%0.371CS..  trans-86.211.9-180-54.8-77.3000114.5S270 V272 L279 R283 S284 T287 Q288 L383 V387S270-F281 VanDerWaalsContact O-CD2 3.29Å; S270-F281 WeakPolarHBondContact O-CD2 3.31Å; S270-F281 WeakPolarHBondContact O-CE2 3.4Å; V272-F281 HydrophobicContact CB-CE2 3.85Å; V272-F281 HydrophobicContact CB-CZ 4.34Å; V272-F281 HydrophobicContact CG2-CE2 3.58Å; V272-F281 HydrophobicContact CG2-CZ 4.3Å; L279-F281 HydrophobicContact CB-CE2 4.12Å; L279-F281 HydrophobicContact CB-CZ 3.91Å; L279-F281 HydrophobicContact CD1-CZ 4.21Å; F281-R283 PolarHBondContact O-N 2.91Å; F281-S284 PolarHBondContact O-N 3.07Å; F281-T287 HydrophobicContact CD1-CG2 4.02Å; F281-Q288 HydrophobicContact CB-CG 4.19Å; F281-L383 HydrophobicContact CD1-CD2 4.18Å; F281-L383 HydrophobicContact CE1-CB 4.36Å; F281-L383 HydrophobicContact CE1-CD2 3.34Å; F281-L383 HydrophobicContact CE1-CG 4.41Å; F281-L383 HydrophobicContact CZ-CB 4.34Å; F281-L383 HydrophobicContact CZ-CD2 3.71Å; F281-L383 HydrophobicContact CZ-CG 4.48Å; F281-V387 HydrophobicContact CD1-CG2 4.07Å; F281-V387 HydrophobicContact CE1-CG2 3.76Å
282S51.1Low56.4Low93 Ų9369.7 Ų69.765%0.6536%0.364SS*.THydrogen-bonded Turntrans-55.3-17-170.9175.20000115.9N280N280-S282 VanDerWaalsContact C-N 3.28Å; N280-S282 PolarHBondContact O-N 3.09Å
283R53.9Low57.3Low171 Ų17170 Ų7065%0.64537%0.367SS*.THydrogen-bonded Turntrans-83.6-31.9-172-68-174.7177.1-173.2-2.5114.9F281F281-R283 PolarHBondContact O-N 2.91Å
284S62.6Low58.5Low11 Ų1165.4 Ų65.48%0.07735%0.345CS..  trans-122.8111.3-175-168.20000111.4F281 R286 T287 Q288 E331F281-S284 PolarHBondContact O-N 3.07Å; S284-R286 PolarHBondContact O-N 3.35Å; S284-T287 WeakPolarHBondContact CB-OG1 3.46Å; S284-T287 PolarHBondContact O-N 3.32Å; S284-T287 VanDerWaalsContact O-N 3.12Å; S284-Q288 PolarHBondContact O-N 3.48Å; S284-Q288 VanDerWaalsContact O-N 3.13Å; S284-E331 PolarHBondContact OG-OE1 3.47Å
285V65.3Low59.9Low77 Ų7766.6 Ų66.647%0.46736%0.355SS..Hα-helixtrans-57.3-34.3179179.30000111.4S289V285-S289 WeakPolarHBondContact O-CB 3.47Å; V285-S289 PolarHBondContact O-N 3.41Å
286R68.9Low61.8Low150 Ų15063.9 Ų63.957%0.56633%0.334SS*.Hα-helixtrans-69.5-40.4178.9-65-170.9-175.4-163.5-1.6111.7S284 S289 F290 V324 N327S284-R286 PolarHBondContact O-N 3.35Å; R286-S289 PolarHBondContact O-N 2.99Å; R286-F290 PolarHBondContact O-N 2.8Å; R286-V324 HydrophobicContact CB-CG2 4.33Å; R286-V324 WeakPolarHBondContact O-CG2 3.17Å; R286-N327 WeakPolarHBondContact CD-ND2 3.31Å; R286-N327 PolarHBondContact NH1-ND2 3.36Å; R286-N327 PolarHBondContact NH1-OD1 2.83Å
287T67.9Low63.5Low19 Ų1961.1 Ų61.112%0.11730%0.302CS..Hα-helixtrans-64.7-40.7175.7-520000111.8F281 S284 F290 Y291 V324F281-T287 HydrophobicContact CD1-CG2 4.02Å; S284-T287 WeakPolarHBondContact CB-OG1 3.46Å; S284-T287 PolarHBondContact O-N 3.32Å; S284-T287 VanDerWaalsContact O-N 3.12Å; T287-F290 PolarHBondContact O-N 3.13Å; T287-Y291 PolarHBondContact O-N 3.41Å; T287-V324 HydrophobicContact CG2-CG1 4.45Å
288Q64.2Low65Low6 Ų660.2 Ų60.23%0.02830%0.302CS..Hα-helixtrans-65.2-43.5174.4-69.7169.5-38.800112.3N266 F281 S284 F290 Y291 N292N266-Q288 PolarHBondContact OD1-NE2 3.23Å; N266-Q288 VanDerWaalsContact OD1-NE2 3.09Å; N266-Q288 PolarHBondContact OD1-OE1 2.86Å; F281-Q288 HydrophobicContact CB-CG 4.19Å; S284-Q288 PolarHBondContact O-N 3.48Å; S284-Q288 VanDerWaalsContact O-N 3.13Å; Q288-F290 VanDerWaalsContact C-N 3.31Å; Q288-F290 PolarHBondContact O-N 2.88Å; Q288-Y291 PolarHBondContact O-N 2.98Å; Q288-N292 PolarHBondContact O-N 3.26Å; Q288-N292 PolarHBondContact O-ND2 2.86Å
289S70.2Confident66.2Low68 Ų6861 Ų6148%0.47630%0.302SS..Hα-helixtrans-57-46.7176.7-171.10000111V285 R286 N292 S293V285-S289 WeakPolarHBondContact O-CB 3.47Å; V285-S289 PolarHBondContact O-N 3.41Å; R286-S289 PolarHBondContact O-N 2.99Å; S289-N292 PolarHBondContact O-N 3.44Å; S289-S293 PolarHBondContact O-N 3.14Å; S289-S293 PolarHBondContact O-OG 3.28Å; S289-S293 VanDerWaalsContact O-OG 3.11Å
290F72.1Confident67.4Low21 Ų2163.6 Ų63.69%0.09231%0.314CS..Hα-helixtrans-65.3-38.9177.5171.9-110.5000113.1R286 T287 Q288 N292 S293 L294 V317 E320 C321 V324R286-F290 PolarHBondContact O-N 2.8Å; T287-F290 PolarHBondContact O-N 3.13Å; Q288-F290 VanDerWaalsContact C-N 3.31Å; Q288-F290 PolarHBondContact O-N 2.88Å; F290-N292 VanDerWaalsContact C-N 3.3Å; F290-N292 PolarHBondContact O-N 2.93Å; F290-S293 WeakPolarHBondContact O-CB 3.23Å; F290-S293 PolarHBondContact O-N 3.39Å; F290-L294 HydrophobicContact CD1-CD1 3.97Å; F290-L294 HydrophobicContact CE1-CD1 3.42Å; F290-L294 VanDerWaalsContact CE1-CD1 3.42Å; F290-L294 HydrophobicContact CE1-CG 4.16Å; F290-L294 HydrophobicContact CE2-CD1 4.21Å; F290-L294 HydrophobicContact CE2-CD2 4.38Å; F290-L294 HydrophobicContact CE2-CG 4.04Å; F290-L294 HydrophobicContact CZ-CD1 3.55Å; F290-L294 HydrophobicContact CZ-CD2 4.13Å; F290-L294 HydrophobicContact CZ-CG 3.85Å; F290-L294 WeakPolarHBondContact O-CG 3.27Å; F290-L294 PolarHBondContact O-N 2.63Å; F290-V317 HydrophobicContact CE2-CG1 3.82Å; F290-V317 WeakPolarHBondContact CE2-O 3.31Å; F290-E320 HydrophobicContact CD2-CB 3.89Å; F290-E320 HydrophobicContact CE2-CB 4.42Å; F290-C321 HydrophobicContact CD2-CB 4.47Å; F290-C321 HydrophobicContact CE1-CB 4.4Å; F290-C321 HydrophobicContact CE2-CB 3.53Å; F290-C321 HydrophobicContact CZ-CB 3.48Å; F290-C321 VanDerWaalsContact CZ-CB 3.48Å; F290-V324 HydrophobicContact CB-CB 4.45Å; F290-V324 HydrophobicContact CB-CG2 3.59Å; F290-V324 HydrophobicContact CG-CG2 4.1Å
291Y69.7Low68.7Low53 Ų5359.9 Ų59.921%0.20829%0.293CS..Hα-helixtrans-60.5-41.6174.1179.1-102.8000111.8S270 V272 T287 Q288 L294 L295S270-Y291 VanDerWaalsContact OG-CD1 3.27Å; S270-Y291 WeakPolarHBondContact OG-CD1 3.42Å; S270-Y291 WeakPolarHBondContact OG-CE1 2.84Å; V272-Y291 HydrophobicContact CG2-CD2 4.44Å; V272-Y291 HydrophobicContact CG2-CE1 4.46Å; V272-Y291 HydrophobicContact CG2-CE2 3.57Å; V272-Y291 WeakPolarHBondContact CG2-OH 3.39Å; T287-Y291 PolarHBondContact O-N 3.41Å; Q288-Y291 PolarHBondContact O-N 2.98Å; Y291-L294 WeakPolarHBondContact O-CB 3.24Å; Y291-L294 PolarHBondContact O-N 2.98Å; Y291-L295 HydrophobicContact CD1-CD1 4.08Å; Y291-L295 HydrophobicContact CD1-CG 4.49Å; Y291-L295 HydrophobicContact CE1-CD1 3.49Å; Y291-L295 VanDerWaalsContact CE1-CD1 3.49Å; Y291-L295 HydrophobicContact CE1-CG 4.05Å; Y291-L295 PolarHBondContact O-N 3.06Å
292N70Confident69.8Low48 Ų4869.3 Ų69.326%0.25733%0.329SS..Hα-helixtrans-68-39.9174.6-68.2-30.7000112.1A265 Q288 S289 F290 L294 L295 D296A265-N292 WeakPolarHBondContact CB-ND2 3.38Å; Q288-N292 PolarHBondContact O-N 3.26Å; Q288-N292 PolarHBondContact O-ND2 2.86Å; S289-N292 PolarHBondContact O-N 3.44Å; F290-N292 VanDerWaalsContact C-N 3.3Å; F290-N292 PolarHBondContact O-N 2.93Å; N292-L294 PolarHBondContact O-N 3.48Å; N292-L295 PolarHBondContact O-N 3.01Å; N292-D296 WeakPolarHBondContact O-CB 3.13Å; N292-D296 PolarHBondContact O-N 2.91Å
293S72.2Confident71.2Confident29 Ų2971.4 Ų71.420%0.20333%0.328CS..Hα-helixtrans-57.8-37.5171.6-59.80000111.6S289 F290 D296 L297 E320S289-S293 PolarHBondContact O-N 3.14Å; S289-S293 PolarHBondContact O-OG 3.28Å; S289-S293 VanDerWaalsContact O-OG 3.11Å; F290-S293 WeakPolarHBondContact O-CB 3.23Å; F290-S293 PolarHBondContact O-N 3.39Å; S293-D296 PolarHBondContact O-N 3.29Å; S293-L297 VanDerWaalsContact O-CB 3.25Å; S293-L297 WeakPolarHBondContact O-CB 3.2Å; S293-L297 PolarHBondContact O-N 3.2Å; S293-E320 WeakPolarHBondContact CB-OE2 3.37Å; S293-E320 PolarHBondContact OG-OE2 3.23Å
294L71.5Confident72.4Confident34 Ų3465 Ų6518%0.17831%0.308CS..Hα-helixtrans-67.1-44.4175.5-79.1169.2000112.5F290 Y291 N292 D296 L297 V317F290-L294 HydrophobicContact CD1-CD1 3.97Å; F290-L294 HydrophobicContact CE1-CD1 3.42Å; F290-L294 VanDerWaalsContact CE1-CD1 3.42Å; F290-L294 HydrophobicContact CE1-CG 4.16Å; F290-L294 HydrophobicContact CE2-CD1 4.21Å; F290-L294 HydrophobicContact CE2-CD2 4.38Å; F290-L294 HydrophobicContact CE2-CG 4.04Å; F290-L294 HydrophobicContact CZ-CD1 3.55Å; F290-L294 HydrophobicContact CZ-CD2 4.13Å; F290-L294 HydrophobicContact CZ-CG 3.85Å; F290-L294 WeakPolarHBondContact O-CG 3.27Å; F290-L294 PolarHBondContact O-N 2.63Å; Y291-L294 WeakPolarHBondContact O-CB 3.24Å; Y291-L294 PolarHBondContact O-N 2.98Å; N292-L294 PolarHBondContact O-N 3.48Å; L294-D296 VanDerWaalsContact C-N 3.28Å; L294-D296 PolarHBondContact O-N 3.38Å; L294-L297 WeakPolarHBondContact O-CB 3.5Å; L294-L297 PolarHBondContact O-N 2.84Å; L294-V317 HydrophobicContact CD2-CG1 3.65Å; L294-V317 HydrophobicContact CG-CG1 4.32Å
295L73.1Confident73.2Confident82 Ų8269.9 Ų69.943%0.42934%0.339SS..Hα-helixtrans-62.4-39.1174.9-70.3179.4000111.4Y291 N292Y291-L295 HydrophobicContact CD1-CD1 4.08Å; Y291-L295 HydrophobicContact CD1-CG 4.49Å; Y291-L295 HydrophobicContact CE1-CD1 3.49Å; Y291-L295 VanDerWaalsContact CE1-CD1 3.49Å; Y291-L295 HydrophobicContact CE1-CG 4.05Å; Y291-L295 PolarHBondContact O-N 3.06Å; N292-L295 PolarHBondContact O-N 3.01Å
296D75.5Confident73.9Confident46 Ų4671.7 Ų71.725%0.24634%0.343CS..Hα-helixtrans-74.6-31.9179.7-16128.5000112.5N292 S293 L294 E298 R299 Q300N292-D296 WeakPolarHBondContact O-CB 3.13Å; N292-D296 PolarHBondContact O-N 2.91Å; S293-D296 PolarHBondContact O-N 3.29Å; L294-D296 VanDerWaalsContact C-N 3.28Å; L294-D296 PolarHBondContact O-N 3.38Å; D296-E298 PolarHBondContact O-N 3Å; D296-R299 WeakPolarHBondContact O-CA 3.3Å; D296-R299 WeakPolarHBondContact O-CB 3.41Å; D296-R299 PolarHBondContact O-N 3.12Å; D296-R299 IonicContact OD1-CZ 3.18Å; D296-R299 IonicContact OD1-NE 3.67Å; D296-R299 PolarHBondContact OD1-NE 3.09Å; D296-R299 IonicContact OD1-NH2 3.59Å; D296-R299 PolarHBondContact OD1-NH2 2.91Å; D296-R299 IonicContact OD2-NH2 2.84Å; D296-Q300 VanDerWaalsContact CG-NE2 3.35Å; D296-Q300 WeakPolarHBondContact O-CG 3.38Å; D296-Q300 PolarHBondContact O-N 3.41Å; D296-Q300 PolarHBondContact OD2-NE2 2.7Å
297L76.9Confident74.4Confident16 Ų1667.5 Ų67.58%0.08433%0.333CS..Hα-helixtrans-56.1-40.3176.1179.867.7000111.4S293 L294 R299 Q300 I301 L313 Y314 V317S293-L297 VanDerWaalsContact O-CB 3.25Å; S293-L297 WeakPolarHBondContact O-CB 3.2Å; S293-L297 PolarHBondContact O-N 3.2Å; L294-L297 WeakPolarHBondContact O-CB 3.5Å; L294-L297 PolarHBondContact O-N 2.84Å; L297-R299 VanDerWaalsContact C-N 3.27Å; L297-R299 PolarHBondContact O-N 3.46Å; L297-Q300 PolarHBondContact O-N 3.13Å; L297-I301 HydrophobicContact CD1-CD1 3.65Å; L297-I301 HydrophobicContact CD1-CG1 3.89Å; L297-I301 HydrophobicContact CD2-CD1 4.07Å; L297-I301 HydrophobicContact CG-CD1 3.5Å; L297-I301 VanDerWaalsContact CG-CD1 3.5Å; L297-I301 HydrophobicContact CG-CG1 4.2Å; L297-I301 WeakPolarHBondContact O-CB 3.22Å; L297-I301 WeakPolarHBondContact O-CD1 3.44Å; L297-I301 VanDerWaalsContact O-CG1 3.25Å; L297-I301 WeakPolarHBondContact O-CG1 3.39Å; L297-I301 PolarHBondContact O-N 3.46Å; L297-L313 HydrophobicContact CD1-CB 3.78Å; L297-Y314 HydrophobicContact CD2-CD1 4.07Å; L297-Y314 HydrophobicContact CD2-CE1 4.17Å; L297-V317 HydrophobicContact CB-CG2 4.15Å; L297-V317 HydrophobicContact CD1-CG2 3.9Å; L297-V317 HydrophobicContact CD2-CB 4.03Å; L297-V317 HydrophobicContact CD2-CG1 3.98Å; L297-V317 HydrophobicContact CD2-CG2 3.85Å; L297-V317 HydrophobicContact CG-CG2 4.15Å
298E69.6Low74.9Confident86 Ų8672 Ų7240%0.40236%0.357SS..Hα-helixtrans-59.2-39176.1-70.8-176.3-161.700112.7D296 W372D296-E298 PolarHBondContact O-N 3Å; E298-W372 HydrophobicContact CG-CH2 3.91Å; E298-W372 HydrophobicContact CG-CZ2 4.08Å; E298-W372 WeakPolarHBondContact OE1-CH2 3.45Å
299R76.3Confident75.6Confident143 Ų14373.1 Ų73.154%0.5437%0.365SS..Hα-helixtrans-70.9-49.8177-179.8177.463.9149.64.9110.5D296 L297 I301 R302 E303D296-R299 WeakPolarHBondContact O-CA 3.3Å; D296-R299 WeakPolarHBondContact O-CB 3.41Å; D296-R299 PolarHBondContact O-N 3.12Å; D296-R299 IonicContact OD1-CZ 3.18Å; D296-R299 IonicContact OD1-NE 3.67Å; D296-R299 PolarHBondContact OD1-NE 3.09Å; D296-R299 IonicContact OD1-NH2 3.59Å; D296-R299 PolarHBondContact OD1-NH2 2.91Å; D296-R299 IonicContact OD2-NH2 2.84Å; L297-R299 VanDerWaalsContact C-N 3.27Å; L297-R299 PolarHBondContact O-N 3.46Å; R299-I301 PolarHBondContact O-N 3.11Å; R299-R302 WeakPolarHBondContact O-CB 3.38Å; R299-R302 PolarHBondContact O-N 3.26Å; R299-R302 VanDerWaalsContact O-N 3.08Å; R299-E303 WeakPolarHBondContact CG-OE1 3.06Å; R299-E303 PolarHBondContact O-N 3.2Å; R299-E303 VanDerWaalsContact O-N 3.16Å
300Q76.9Confident76.1Confident59 Ų5972.1 Ų72.128%0.27635%0.352SS..Hα-helixtrans-62.8-40.8-176.7-66178.22100112.7D296 L297 R302 E303 V304 L313D296-Q300 VanDerWaalsContact CG-NE2 3.35Å; D296-Q300 WeakPolarHBondContact O-CG 3.38Å; D296-Q300 PolarHBondContact O-N 3.41Å; D296-Q300 PolarHBondContact OD2-NE2 2.7Å; L297-Q300 PolarHBondContact O-N 3.13Å; Q300-R302 PolarHBondContact O-N 2.89Å; Q300-E303 PolarHBondContact O-N 3.03Å; Q300-V304 WeakPolarHBondContact O-CB 3.27Å; Q300-V304 WeakPolarHBondContact O-CG2 3.36Å; Q300-V304 PolarHBondContact O-N 3.37Å; Q300-L313 HydrophobicContact CB-CD1 3.74Å
301I78.1Confident76.3Confident31 Ų3172.7 Ų72.716%0.15936%0.356CS..Hα-helixtrans-63.6-29.4176.6-69.5162000111.9L297 R299 K310 Y314L297-I301 HydrophobicContact CD1-CD1 3.65Å; L297-I301 HydrophobicContact CD1-CG1 3.89Å; L297-I301 HydrophobicContact CD2-CD1 4.07Å; L297-I301 HydrophobicContact CG-CD1 3.5Å; L297-I301 VanDerWaalsContact CG-CD1 3.5Å; L297-I301 HydrophobicContact CG-CG1 4.2Å; L297-I301 WeakPolarHBondContact O-CB 3.22Å; L297-I301 WeakPolarHBondContact O-CD1 3.44Å; L297-I301 VanDerWaalsContact O-CG1 3.25Å; L297-I301 WeakPolarHBondContact O-CG1 3.39Å; L297-I301 PolarHBondContact O-N 3.46Å; R299-I301 PolarHBondContact O-N 3.11Å; I301-K310 HydrophobicContact CG2-CD 4.27Å; I301-K310 HydrophobicContact CG2-CG 4.38Å; I301-K310 VanDerWaalsContact O-CE 3.32Å; I301-K310 WeakPolarHBondContact O-CE 3.16Å; I301-Y314 HydrophobicContact CD1-CD1 4.31Å; I301-Y314 HydrophobicContact CD1-CE1 3.52Å; I301-Y314 HydrophobicContact CD1-CE2 4.01Å; I301-Y314 WeakPolarHBondContact CD1-OH 3.35Å; I301-Y314 HydrophobicContact CG1-CE2 4.47Å
302R79.9Confident76.8Confident213 Ų21373.1 Ų73.180%0.80437%0.367SS*.Hα-helixtrans-77.2-34.6179.4-159.7-176.2-60.7-152.51.7111.8R299 Q300R299-R302 WeakPolarHBondContact O-CB 3.38Å; R299-R302 PolarHBondContact O-N 3.26Å; R299-R302 VanDerWaalsContact O-N 3.08Å; Q300-R302 PolarHBondContact O-N 2.89Å
303E80.3Confident77.2Confident136 Ų13671.9 Ų71.964%0.63636%0.36SS*.Hα-helixtrans-79.4-36.1-179.4-70.8175.7-177.900112.7R299 Q300 P305R299-E303 WeakPolarHBondContact CG-OE1 3.06Å; R299-E303 PolarHBondContact O-N 3.2Å; R299-E303 VanDerWaalsContact O-N 3.16Å; Q300-E303 PolarHBondContact O-N 3.03Å; E303-P305 WeakPolarHBondContact O-CD 3.36Å
304V79.8Confident77.6Confident38 Ų3871.3 Ų71.323%0.2335%0.354CS..  trans-81.2120.4179.5176.30000109.4Q300 S309 K310 L313Q300-V304 WeakPolarHBondContact O-CB 3.27Å; Q300-V304 WeakPolarHBondContact O-CG2 3.36Å; Q300-V304 PolarHBondContact O-N 3.37Å; V304-S309 WeakPolarHBondContact CG1-OG 3.38Å; V304-K310 HydrophobicContact CG1-CG 4.29Å; V304-K310 WeakPolarHBondContact O-CE 3.36Å; V304-K310 PolarHBondContact O-NZ 2.99Å; V304-L313 HydrophobicContact CG2-CD1 4.22Å
305P78.6Confident78Confident113 Ų11375.7 Ų75.773%0.73437%0.373SS*.  trans-82.7-35.7177.729.6-32.1000112.7E303 K310E303-P305 WeakPolarHBondContact O-CD 3.36Å; P305-K310 PolarHBondContact O-NZ 2.86Å
306E80.3Confident78.3Confident115 Ų11576.8 Ų76.854%0.53738%0.376SS..  trans-71.1138.3-172.1172-172.7-136.100112.1D308 S309 K310E306-D308 HydrophobicContact CG-CB 4.48Å; E306-S309 VanDerWaalsContact CB-OG 3.24Å; E306-S309 WeakPolarHBondContact CB-OG 3.09Å; E306-S309 WeakPolarHBondContact CG-OG 3.23Å; E306-S309 PolarHBondContact O-OG 3.37Å; E306-S309 PolarHBondContact OE2-OG 3.44Å; E306-K310 WeakPolarHBondContact O-CG 3.44Å; E306-K310 PolarHBondContact O-N 2.88Å; E306-K310 VanDerWaalsContact O-N 3.16Å
307V79.4Confident78.5Confident61 Ų6175.2 Ų75.237%0.3737%0.368SS..Hα-helixtrans-72.2-41.9-173.2171.30000111.6S309 K310 L311 V362V307-S309 VanDerWaalsContact C-N 3.33Å; V307-S309 PolarHBondContact O-N 3.35Å; V307-K310 WeakPolarHBondContact O-CB 3.43Å; V307-K310 PolarHBondContact O-N 3.31Å; V307-K310 VanDerWaalsContact O-N 3.15Å; V307-L311 HydrophobicContact CG1-CD1 4.14Å; V307-L311 HydrophobicContact CG1-CG 4.42Å; V307-L311 WeakPolarHBondContact O-CG 2.92Å; V307-L311 PolarHBondContact O-N 3.2Å; V307-V362 HydrophobicContact CG1-CG1 4.01Å
308D78.7Confident78.6Confident115 Ų11575.8 Ų75.862%0.61537%0.371SS*.Hα-helixtrans-64.6-38.1-179-67.6-26.2000112E306 L311 S312E306-D308 HydrophobicContact CG-CB 4.48Å; D308-L311 PolarHBondContact O-N 3.49Å; D308-S312 PolarHBondContact O-N 2.99Å
309S79.6Confident79Confident28 Ų2874 Ų7420%0.19637%0.368CS..Hα-helixtrans-72.7-30.6174.3410000112.6V304 E306 V307 S312 L313V304-S309 WeakPolarHBondContact CG1-OG 3.38Å; E306-S309 VanDerWaalsContact CB-OG 3.24Å; E306-S309 WeakPolarHBondContact CB-OG 3.09Å; E306-S309 WeakPolarHBondContact CG-OG 3.23Å; E306-S309 PolarHBondContact O-OG 3.37Å; E306-S309 PolarHBondContact OE2-OG 3.44Å; V307-S309 VanDerWaalsContact C-N 3.33Å; V307-S309 PolarHBondContact O-N 3.35Å; S309-S312 PolarHBondContact O-OG 2.95Å; S309-L313 VanDerWaalsContact O-CG 3.31Å; S309-L313 WeakPolarHBondContact O-CG 3.18Å; S309-L313 PolarHBondContact O-N 3.21Å
310K80.2Confident79Confident47 Ų4769.3 Ų69.320%0.20435%0.352CS..Hα-helixtrans-64.7-42.2167-72.7173-172.4174.20112.1I301 V304 P305 E306 V307 S312 L313 Y314I301-K310 HydrophobicContact CG2-CD 4.27Å; I301-K310 HydrophobicContact CG2-CG 4.38Å; I301-K310 VanDerWaalsContact O-CE 3.32Å; I301-K310 WeakPolarHBondContact O-CE 3.16Å; V304-K310 HydrophobicContact CG1-CG 4.29Å; V304-K310 WeakPolarHBondContact O-CE 3.36Å; V304-K310 PolarHBondContact O-NZ 2.99Å; P305-K310 PolarHBondContact O-NZ 2.86Å; E306-K310 WeakPolarHBondContact O-CG 3.44Å; E306-K310 PolarHBondContact O-N 2.88Å; E306-K310 VanDerWaalsContact O-N 3.16Å; V307-K310 WeakPolarHBondContact O-CB 3.43Å; V307-K310 PolarHBondContact O-N 3.31Å; V307-K310 VanDerWaalsContact O-N 3.15Å; K310-S312 VanDerWaalsContact C-N 3.35Å; K310-L313 PolarHBondContact O-N 3.47Å; K310-Y314 WeakPolarHBondContact O-CD2 3.45Å; K310-Y314 PolarHBondContact O-N 3.41Å
311L76.4Confident79Confident34 Ų3468.1 Ų68.118%0.17835%0.35CS..Hα-helixtrans-61.6-43.9178.5-73.2170.9000110.9V307 D308 L313 Y314 E315 C359V307-L311 HydrophobicContact CG1-CD1 4.14Å; V307-L311 HydrophobicContact CG1-CG 4.42Å; V307-L311 WeakPolarHBondContact O-CG 2.92Å; V307-L311 PolarHBondContact O-N 3.2Å; D308-L311 PolarHBondContact O-N 3.49Å; L311-L313 VanDerWaalsContact C-N 3.33Å; L311-L313 PolarHBondContact O-N 3.28Å; L311-Y314 PolarHBondContact O-N 2.91Å; L311-E315 WeakPolarHBondContact O-CG 3.34Å; L311-E315 PolarHBondContact O-N 3.43Å; L311-C359 HydrophobicContact CD2-CB 3.61Å
312S79.9Confident78.9Confident61 Ų6172.2 Ų72.243%0.42736%0.363SS..Hα-helixtrans-63.3-37.2177.369.80000112.8D308 S309 K310 E315 Q316D308-S312 PolarHBondContact O-N 2.99Å; S309-S312 PolarHBondContact O-OG 2.95Å; K310-S312 VanDerWaalsContact C-N 3.35Å; S312-E315 PolarHBondContact O-N 2.87Å; S312-Q316 WeakPolarHBondContact O-CB 3.26Å; S312-Q316 PolarHBondContact O-N 3.18Å
313L78.1Confident78.7Confident22 Ų2266.5 Ų66.512%0.11535%0.349CS..Hα-helixtrans-62.8-43.2172.4-69.9177.9000112.4L297 Q300 V304 S309 K310 L311 Q316 V317L297-L313 HydrophobicContact CD1-CB 3.78Å; Q300-L313 HydrophobicContact CB-CD1 3.74Å; V304-L313 HydrophobicContact CG2-CD1 4.22Å; S309-L313 VanDerWaalsContact O-CG 3.31Å; S309-L313 WeakPolarHBondContact O-CG 3.18Å; S309-L313 PolarHBondContact O-N 3.21Å; K310-L313 PolarHBondContact O-N 3.47Å; L311-L313 VanDerWaalsContact C-N 3.33Å; L311-L313 PolarHBondContact O-N 3.28Å; L313-Q316 PolarHBondContact O-N 3.48Å; L313-V317 PolarHBondContact O-N 2.86Å; L313-V317 VanDerWaalsContact O-N 3.08Å
314Y80.6Confident78.3Confident17 Ų1760.8 Ų60.87%0.06732%0.323CS..Hα-helixtrans-63.1-43.5174.3-76.6-62000111.9L297 I301 K310 L311 Q316 V317 L318 K358 V362L297-Y314 HydrophobicContact CD2-CD1 4.07Å; L297-Y314 HydrophobicContact CD2-CE1 4.17Å; I301-Y314 HydrophobicContact CD1-CD1 4.31Å; I301-Y314 HydrophobicContact CD1-CE1 3.52Å; I301-Y314 HydrophobicContact CD1-CE2 4.01Å; I301-Y314 WeakPolarHBondContact CD1-OH 3.35Å; I301-Y314 HydrophobicContact CG1-CE2 4.47Å; K310-Y314 WeakPolarHBondContact O-CD2 3.45Å; K310-Y314 PolarHBondContact O-N 3.41Å; L311-Y314 PolarHBondContact O-N 2.91Å; Y314-Q316 VanDerWaalsContact C-N 3.33Å; Y314-Q316 PolarHBondContact O-N 2.85Å; Y314-V317 PolarHBondContact O-N 3.46Å; Y314-L318 WeakPolarHBondContact O-CB 3.39Å; Y314-L318 WeakPolarHBondContact O-CG 3.23Å; Y314-L318 PolarHBondContact O-N 3.47Å; Y314-K358 HydrophobicContact CE1-CD 3.79Å; Y314-K358 WeakPolarHBondContact OH-CD 3.25Å; Y314-K358 WeakPolarHBondContact OH-CE 3.49Å; Y314-K358 PolarHBondContact OH-NZ 2.9Å; Y314-V362 HydrophobicContact CE2-CG2 4.3Å
315E79.2Confident77.8Confident127 Ų12761.6 Ų61.659%0.59333%0.325SS*.Hα-helixtrans-61.8-40.7177.5-73.8-179.1170.300112.2L311 S312 L318 S319L311-E315 WeakPolarHBondContact O-CG 3.34Å; L311-E315 PolarHBondContact O-N 3.43Å; S312-E315 PolarHBondContact O-N 2.87Å; E315-L318 PolarHBondContact O-N 3.25Å; E315-S319 PolarHBondContact O-N 3.45Å
316Q80.1Confident77.5Confident104 Ų10459.8 Ų59.849%0.48631%0.307SS..Hα-helixtrans-60.2-52.8175.3-177-175.8-2200111S312 L313 Y314 L318 S319 E320S312-Q316 WeakPolarHBondContact O-CB 3.26Å; S312-Q316 PolarHBondContact O-N 3.18Å; L313-Q316 PolarHBondContact O-N 3.48Å; Y314-Q316 VanDerWaalsContact C-N 3.33Å; Y314-Q316 PolarHBondContact O-N 2.85Å; Q316-L318 VanDerWaalsContact C-N 3.27Å; Q316-L318 PolarHBondContact O-N 2.84Å; Q316-S319 WeakPolarHBondContact O-CA 3.24Å; Q316-S319 WeakPolarHBondContact O-CB 3.48Å; Q316-S319 PolarHBondContact O-N 3.02Å; Q316-E320 PolarHBondContact NE2-OE1 3.2Å; Q316-E320 WeakPolarHBondContact O-CG 3.41Å; Q316-E320 PolarHBondContact O-N 2.86Å
317V79.1Confident76.9Confident13 Ų1355.4 Ų55.48%0.07929%0.287CS..Hα-helixtrans-63.8-34.8-180171.80000111.6F290 L294 L297 L313 Y314 S319 E320 C321F290-V317 HydrophobicContact CE2-CG1 3.82Å; F290-V317 WeakPolarHBondContact CE2-O 3.31Å; L294-V317 HydrophobicContact CD2-CG1 3.65Å; L294-V317 HydrophobicContact CG-CG1 4.32Å; L297-V317 HydrophobicContact CB-CG2 4.15Å; L297-V317 HydrophobicContact CD1-CG2 3.9Å; L297-V317 HydrophobicContact CD2-CB 4.03Å; L297-V317 HydrophobicContact CD2-CG1 3.98Å; L297-V317 HydrophobicContact CD2-CG2 3.85Å; L297-V317 HydrophobicContact CG-CG2 4.15Å; L313-V317 PolarHBondContact O-N 2.86Å; L313-V317 VanDerWaalsContact O-N 3.08Å; Y314-V317 PolarHBondContact O-N 3.46Å; V317-S319 VanDerWaalsContact C-N 3.35Å; V317-E320 PolarHBondContact O-N 3.3Å; V317-C321 VanDerWaalsContact O-CB 3.32Å; V317-C321 WeakPolarHBondContact O-CB 3.46Å; V317-C321 PolarHBondContact O-N 3.17Å
318L79Confident76.3Confident29 Ų2954.1 Ų54.115%0.15228%0.28CS..Hα-helixtrans-67.7-35.2173.6-70.8172.3000112.8Y314 E315 Q316 C321 R322 S355Y314-L318 WeakPolarHBondContact O-CB 3.39Å; Y314-L318 WeakPolarHBondContact O-CG 3.23Å; Y314-L318 PolarHBondContact O-N 3.47Å; E315-L318 PolarHBondContact O-N 3.25Å; Q316-L318 VanDerWaalsContact C-N 3.27Å; Q316-L318 PolarHBondContact O-N 2.84Å; L318-C321 WeakPolarHBondContact O-CB 3.09Å; L318-C321 PolarHBondContact O-N 3.19Å; L318-R322 WeakPolarHBondContact O-CG 3.4Å; L318-R322 PolarHBondContact O-N 2.67Å; L318-S355 WeakPolarHBondContact CD2-OG 3.39Å
319S79.3Confident75.5Confident47 Ų4751.7 Ų51.733%0.32926%0.262SS..Hα-helixtrans-65.1-47.3172-159.90000111.4E315 Q316 V317 C321 R322 D323E315-S319 PolarHBondContact O-N 3.45Å; Q316-S319 WeakPolarHBondContact O-CA 3.24Å; Q316-S319 WeakPolarHBondContact O-CB 3.48Å; Q316-S319 PolarHBondContact O-N 3.02Å; V317-S319 VanDerWaalsContact C-N 3.35Å; S319-C321 VanDerWaalsContact C-N 3.27Å; S319-C321 PolarHBondContact O-N 3.03Å; S319-R322 WeakPolarHBondContact O-CB 3.31Å; S319-R322 PolarHBondContact O-N 3.47Å; S319-R322 VanDerWaalsContact O-N 3.13Å; S319-D323 PolarHBondContact O-N 3.06Å
320E76.1Confident74.7Confident46 Ų4655 Ų5522%0.21527%0.274CS..Hα-helixtrans-59.7-39175.6-69178.4-158.600111.6F290 S293 Q316 V317 D323 V324F290-E320 HydrophobicContact CD2-CB 3.89Å; F290-E320 HydrophobicContact CE2-CB 4.42Å; S293-E320 WeakPolarHBondContact CB-OE2 3.37Å; S293-E320 PolarHBondContact OG-OE2 3.23Å; Q316-E320 PolarHBondContact NE2-OE1 3.2Å; Q316-E320 WeakPolarHBondContact O-CG 3.41Å; Q316-E320 PolarHBondContact O-N 2.86Å; V317-E320 PolarHBondContact O-N 3.3Å; E320-D323 PolarHBondContact O-N 2.91Å; E320-V324 WeakPolarHBondContact O-CG2 3.32Å; E320-V324 PolarHBondContact O-N 3.28Å
321C75.5Confident73.7Confident33 Ų3358.2 Ų58.222%0.22329%0.29CS..Hα-helixtrans-59.7-48174.2-172.90000111.4F290 V317 L318 S319 D323 V324 M325F290-C321 HydrophobicContact CD2-CB 4.47Å; F290-C321 HydrophobicContact CE1-CB 4.4Å; F290-C321 HydrophobicContact CE2-CB 3.53Å; F290-C321 HydrophobicContact CZ-CB 3.48Å; F290-C321 VanDerWaalsContact CZ-CB 3.48Å; V317-C321 VanDerWaalsContact O-CB 3.32Å; V317-C321 WeakPolarHBondContact O-CB 3.46Å; V317-C321 PolarHBondContact O-N 3.17Å; L318-C321 WeakPolarHBondContact O-CB 3.09Å; L318-C321 PolarHBondContact O-N 3.19Å; S319-C321 VanDerWaalsContact C-N 3.27Å; S319-C321 PolarHBondContact O-N 3.03Å; C321-D323 VanDerWaalsContact C-N 3.31Å; C321-D323 PolarHBondContact O-N 2.98Å; C321-V324 PolarHBondContact O-N 2.81Å; C321-M325 WeakPolarHBondContact O-CB 3.42Å; C321-M325 VanDerWaalsContact O-CG 3.25Å; C321-M325 WeakPolarHBondContact O-CG 3.21Å; C321-M325 PolarHBondContact O-N 3.02Å
322R76.9Confident72.6Confident117 Ų11756.8 Ų56.844%0.44228%0.283SS..Hα-helixtrans-58.2-43.6176.5-73.7-174.2-63.1-110.50.1112L318 S319 M325 Q326L318-R322 WeakPolarHBondContact O-CG 3.4Å; L318-R322 PolarHBondContact O-N 2.67Å; S319-R322 WeakPolarHBondContact O-CB 3.31Å; S319-R322 PolarHBondContact O-N 3.47Å; S319-R322 VanDerWaalsContact O-N 3.13Å; R322-M325 HydrophobicContact CB-CE 4.34Å; R322-M325 HydrophobicContact CG-CE 4.01Å; R322-M325 PolarHBondContact O-N 3.03Å; R322-Q326 PolarHBondContact O-N 3.17Å
323D76.3Confident71.5Confident93 Ų9360.1 Ų60.150%0.49729%0.29SS..Hα-helixtrans-65.6-45.7178.8-67.5-20.7000111.2S319 E320 C321 M325 Q326 N327S319-D323 PolarHBondContact O-N 3.06Å; E320-D323 PolarHBondContact O-N 2.91Å; C321-D323 VanDerWaalsContact C-N 3.31Å; C321-D323 PolarHBondContact O-N 2.98Å; D323-M325 PolarHBondContact O-N 3.06Å; D323-Q326 PolarHBondContact O-N 2.73Å; D323-N327 VanDerWaalsContact O-CG 3.25Å; D323-N327 PolarHBondContact O-N 2.8Å; D323-N327 PolarHBondContact O-ND2 3.19Å
324V72.2Confident70.1Confident16 Ų1662.5 Ų62.510%0.09732%0.319CS..Hα-helixtrans-62.4-42.4176.9171.10000111.7R286 T287 F290 E320 C321 Q326 N327 V328R286-V324 HydrophobicContact CB-CG2 4.33Å; R286-V324 WeakPolarHBondContact O-CG2 3.17Å; T287-V324 HydrophobicContact CG2-CG1 4.45Å; F290-V324 HydrophobicContact CB-CB 4.45Å; F290-V324 HydrophobicContact CB-CG2 3.59Å; F290-V324 HydrophobicContact CG-CG2 4.1Å; E320-V324 WeakPolarHBondContact O-CG2 3.32Å; E320-V324 PolarHBondContact O-N 3.28Å; C321-V324 PolarHBondContact O-N 2.81Å; V324-Q326 VanDerWaalsContact C-N 3.3Å; V324-Q326 PolarHBondContact O-N 3.5Å; V324-N327 PolarHBondContact O-N 3.37Å; V324-V328 HydrophobicContact CG1-CG2 4.17Å; V324-V328 WeakPolarHBondContact O-CG2 3.37Å; V324-V328 PolarHBondContact O-N 3.19Å
325M68.9Low68.4Low56 Ų5667.9 Ų67.928%0.27635%0.345SS..Hα-helixtrans-58.9-42.6174.8-72.8-173.1-64.500112C321 R322 D323 R329 A348C321-M325 WeakPolarHBondContact O-CB 3.42Å; C321-M325 VanDerWaalsContact O-CG 3.25Å; C321-M325 WeakPolarHBondContact O-CG 3.21Å; C321-M325 PolarHBondContact O-N 3.02Å; R322-M325 HydrophobicContact CB-CE 4.34Å; R322-M325 HydrophobicContact CG-CE 4.01Å; R322-M325 PolarHBondContact O-N 3.03Å; D323-M325 PolarHBondContact O-N 3.06Å; M325-R329 WeakPolarHBondContact O-CB 3.09Å; M325-R329 PolarHBondContact O-N 3.39Å; M325-A348 HydrophobicContact SD-CB 3.28Å; M325-A348 WeakPolarHBondContact SD-CB 3.4Å
326Q72.3Confident66.7Low74 Ų7463.2 Ų63.235%0.34632%0.324SS..Hα-helixtrans-64.9-40.2176.5-178.563.120.900111.7R322 D323 V324 R329 E330R322-Q326 PolarHBondContact O-N 3.17Å; D323-Q326 PolarHBondContact O-N 2.73Å; V324-Q326 VanDerWaalsContact C-N 3.3Å; V324-Q326 PolarHBondContact O-N 3.5Å; Q326-R329 CarbonylContact O-C 3.51Å; Q326-R329 WeakPolarHBondContact O-CB 3.4Å; Q326-R329 PolarHBondContact O-N 2.66Å; Q326-E330 PolarHBondContact NE2-OE1 2.95Å; Q326-E330 WeakPolarHBondContact O-CG 3.45Å; Q326-E330 PolarHBondContact O-N 3.16Å
327N67.6Low65.2Low24 Ų2459.7 Ų59.713%0.12831%0.31CS..Hα-helixtrans-67.1-46177.6-67.6-52.5000112.4R286 D323 V324 R329 E330 E331R286-N327 WeakPolarHBondContact CD-ND2 3.31Å; R286-N327 PolarHBondContact NH1-ND2 3.36Å; R286-N327 PolarHBondContact NH1-OD1 2.83Å; D323-N327 VanDerWaalsContact O-CG 3.25Å; D323-N327 PolarHBondContact O-N 2.8Å; D323-N327 PolarHBondContact O-ND2 3.19Å; V324-N327 PolarHBondContact O-N 3.37Å; N327-R329 PolarHBondContact O-N 3.4Å; N327-E330 PolarHBondContact O-N 2.92Å; N327-E331 WeakPolarHBondContact O-CG 3.36Å; N327-E331 PolarHBondContact O-N 3.49Å
328V66.2Low63.7Low34 Ų3464.1 Ų64.121%0.20634%0.337CS..Hα-helixtrans-59.9-38.6174172.50000109.9V324 A332V324-V328 HydrophobicContact CG1-CG2 4.17Å; V324-V328 WeakPolarHBondContact O-CG2 3.37Å; V324-V328 PolarHBondContact O-N 3.19Å; V328-A332 WeakPolarHBondContact O-CB 2.9Å; V328-A332 PolarHBondContact O-N 3.18Å
329R61.1Low62.1Low64 Ų6467.6 Ų67.624%0.24236%0.356CS..Hα-helixtrans-63.4-38.4172.8157.5179.1-81.6-148.7-19.6112.9M325 Q326 N327 A332 K333 L341M325-R329 WeakPolarHBondContact O-CB 3.09Å; M325-R329 PolarHBondContact O-N 3.39Å; Q326-R329 CarbonylContact O-C 3.51Å; Q326-R329 WeakPolarHBondContact O-CB 3.4Å; Q326-R329 PolarHBondContact O-N 2.66Å; N327-R329 PolarHBondContact O-N 3.4Å; R329-A332 WeakPolarHBondContact O-CB 3.22Å; R329-A332 PolarHBondContact O-N 3.48Å; R329-K333 WeakPolarHBondContact O-CG 3.43Å; R329-K333 PolarHBondContact O-N 3.11Å; R329-K333 VanDerWaalsContact O-N 3.09Å; R329-L341 HydrophobicContact CB-CD2 4.1Å; R329-L341 HydrophobicContact CG-CD2 3.69Å
330E64.6Low60.5Low98 Ų9867.5 Ų67.546%0.45835%0.348SS..Hα-helixtrans-73.7-42177.9-76.7176.4-171.100112.4Q326 N327 A332 K333Q326-E330 PolarHBondContact NE2-OE1 2.95Å; Q326-E330 WeakPolarHBondContact O-CG 3.45Å; Q326-E330 PolarHBondContact O-N 3.16Å; N327-E330 PolarHBondContact O-N 2.92Å; E330-A332 PolarHBondContact O-N 2.86Å; E330-K333 PolarHBondContact O-N 3.26Å
331E58Low59Low113 Ų11366.6 Ų66.653%0.52835%0.345SS..Hα-helixtrans-56.8-36.8168.9-70.9177.9-171.800110.6S284 N327S284-E331 PolarHBondContact OG-OE1 3.47Å; N327-E331 WeakPolarHBondContact O-CG 3.36Å; N327-E331 PolarHBondContact O-N 3.49Å
332A53.3Low57.6Low5 Ų570.6 Ų70.64%0.04136%0.358CS..Hα-helixtrans-72.9-25.9177.100000115.8V328 R329 E330 G334 E335 L336 F390V328-A332 WeakPolarHBondContact O-CB 2.9Å; V328-A332 PolarHBondContact O-N 3.18Å; R329-A332 WeakPolarHBondContact O-CB 3.22Å; R329-A332 PolarHBondContact O-N 3.48Å; E330-A332 PolarHBondContact O-N 2.86Å; A332-G334 PolarHBondContact O-N 3.27Å; A332-E335 PolarHBondContact O-N 3.43Å; A332-L336 PolarHBondContact O-N 2.98Å; A332-F390 HydrophobicContact CB-CE1 3.57Å; A332-F390 HydrophobicContact CB-CE2 4.04Å; A332-F390 HydrophobicContact CB-CZ 3.15Å
333K56.2Low56.1Low131 Ų13170.2 Ų70.257%0.5736%0.364SS*.THydrogen-bonded Turntrans-60.7-16.5-176.3-82.9173.4-174.2171.90113.4R329 E330 E335R329-K333 WeakPolarHBondContact O-CG 3.43Å; R329-K333 PolarHBondContact O-N 3.11Å; R329-K333 VanDerWaalsContact O-N 3.09Å; E330-K333 PolarHBondContact O-N 3.26Å; K333-E335 VanDerWaalsContact C-N 3.33Å
334G49.4Very low54.6Low71 Ų7166.7 Ų66.773%0.73235%0.346SS*.THydrogen-bonded Turntrans-73.8-16.8172.300000114.9A332A332-G334 PolarHBondContact O-N 3.27Å
335E46.2Very low53.4Low131 Ų13169 Ų6961%0.61236%0.357SS*.THydrogen-bonded Turntrans-1397.5-167.2-69.3-176.216300115.3A332 K333 F390A332-E335 PolarHBondContact O-N 3.43Å; K333-E335 VanDerWaalsContact C-N 3.33Å; E335-F390 HydrophobicContact CB-CE1 4.46Å
336L43.6Very low52.3Low28 Ų2872.7 Ų72.715%0.14738%0.375CS..  trans-125.9137.2-167.8-141.276.5000117.5A332 R340 L341 L344 F390A332-L336 PolarHBondContact O-N 2.98Å; L336-R340 HydrophobicContact CD2-CB 3.89Å; L336-R340 HydrophobicContact CD2-CG 4.23Å; L336-R340 HydrophobicContact CG-CB 4.2Å; L336-L341 HydrophobicContact CB-CD1 4.44Å; L336-L341 HydrophobicContact CD2-CB 4.18Å; L336-L341 HydrophobicContact CD2-CD1 4.06Å; L336-L341 HydrophobicContact CD2-CG 3.56Å; L336-L344 HydrophobicContact CD2-CD1 4.46Å; L336-F390 HydrophobicContact CB-CZ 4.03Å; L336-F390 HydrophobicContact CD1-CD2 4.35Å; L336-F390 HydrophobicContact CD1-CE1 3.84Å; L336-F390 HydrophobicContact CD1-CE2 3.43Å; L336-F390 VanDerWaalsContact CD1-CE2 3.43Å; L336-F390 HydrophobicContact CD1-CZ 3.1Å; L336-F390 HydrophobicContact CD2-CE2 3.99Å; L336-F390 HydrophobicContact CD2-CZ 3.86Å; L336-F390 HydrophobicContact CG-CE2 4.25Å; L336-F390 HydrophobicContact CG-CZ 3.8Å
337T47.8Very low51.1Low31 Ų3173.1 Ų73.119%0.1938%0.377CS..  trans-72.8142.9164.555.60000112.9D339 R340 E411T337-D339 VanDerWaalsContact C-N 3.27Å; T337-D339 PolarHBondContact O-N 2.94Å; T337-D339 VanDerWaalsContact O-N 3.15Å; T337-R340 PolarHBondContact O-N 3.2Å; T337-E411 WeakPolarHBondContact CG2-OE2 3.41Å
338T46.6Very low50.1Low106 Ų10672.4 Ų72.465%0.6538%0.375SS*.Hα-helixtrans-55.3-31.8-172.6-3.80000114.8K342T338-K342 WeakPolarHBondContact O-CG 3.44Å; T338-K342 PolarHBondContact O-N 3.44Å
339D45.7Very low49.2Very low101 Ų10173.9 Ų73.954%0.5438%0.381SS..Hα-helixtrans-79.6-27.1-175.6-68.7-29.3000113.1T337 K342 L343T337-D339 VanDerWaalsContact C-N 3.27Å; T337-D339 PolarHBondContact O-N 2.94Å; T337-D339 VanDerWaalsContact O-N 3.15Å; D339-K342 WeakPolarHBondContact O-CB 3.32Å; D339-K342 PolarHBondContact O-N 3.21Å; D339-K342 IonicContact OD1-NZ 2.98Å; D339-K342 PolarHBondContact OD1-NZ 3.06Å; D339-L343 PolarHBondContact O-N 2.89Å
340R45.4Very low48.6Very low46 Ų4677.1 Ų77.117%0.17440%0.397CS..Hα-helixtrans-74.4-34.1176.3-163.5161.5-176-163.6-3.5112.2L336 T337 K342 L344 F389L336-R340 HydrophobicContact CD2-CB 3.89Å; L336-R340 HydrophobicContact CD2-CG 4.23Å; L336-R340 HydrophobicContact CG-CB 4.2Å; T337-R340 PolarHBondContact O-N 3.2Å; R340-K342 VanDerWaalsContact C-N 3.25Å; R340-K342 PolarHBondContact O-N 3.21Å; R340-L344 WeakPolarHBondContact O-CB 3.02Å; R340-L344 WeakPolarHBondContact O-CG 3.32Å; R340-L344 PolarHBondContact O-N 2.65Å; R340-F389 PolarHBondContact NH2-O 3.48Å
341L45.9Very low47.9Very low27 Ų2772.8 Ų72.814%0.14138%0.379CS..Hα-helixtrans-61.4-30.9169.3-100157.2000112.8R329 L336 L345R329-L341 HydrophobicContact CB-CD2 4.1Å; R329-L341 HydrophobicContact CG-CD2 3.69Å; L336-L341 HydrophobicContact CB-CD1 4.44Å; L336-L341 HydrophobicContact CD2-CB 4.18Å; L336-L341 HydrophobicContact CD2-CD1 4.06Å; L336-L341 HydrophobicContact CD2-CG 3.56Å; L341-L345 WeakPolarHBondContact O-CG 3.46Å; L341-L345 PolarHBondContact O-N 3.41Å
342K45.1Very low47.5Very low116 Ų11669.4 Ų69.450%0.50436%0.364SS..Hα-helixtrans-73.4-47.5178.1-68.7172.5-169.7160.30111.9T338 D339 R340 L344 L345 M346T338-K342 WeakPolarHBondContact O-CG 3.44Å; T338-K342 PolarHBondContact O-N 3.44Å; D339-K342 WeakPolarHBondContact O-CB 3.32Å; D339-K342 PolarHBondContact O-N 3.21Å; D339-K342 IonicContact OD1-NZ 2.98Å; D339-K342 PolarHBondContact OD1-NZ 3.06Å; R340-K342 VanDerWaalsContact C-N 3.25Å; R340-K342 PolarHBondContact O-N 3.21Å; K342-L344 VanDerWaalsContact C-N 3.3Å; K342-L344 PolarHBondContact O-N 3.42Å; K342-L345 PolarHBondContact O-N 3.2Å; K342-M346 WeakPolarHBondContact O-CG 3.34Å; K342-M346 PolarHBondContact O-N 3.43Å
343L45.3Very low47.4Very low109 Ų10975.8 Ų75.857%0.57139%0.388SS*.Hα-helixtrans-58.7-43.9176.7-79.4163.4000111.5D339 L345 M346 E347D339-L343 PolarHBondContact O-N 2.89Å; L343-L345 PolarHBondContact O-N 3.04Å; L343-M346 WeakPolarHBondContact O-CB 3.11Å; L343-M346 PolarHBondContact O-N 2.98Å; L343-M346 VanDerWaalsContact O-N 3.15Å; L343-E347 PolarHBondContact O-N 3.23Å; L343-E347 VanDerWaalsContact O-N 3.11Å
344L44.4Very low47Very low20 Ų2071 Ų7111%0.10537%0.371CS..Hα-helixtrans-56.9-46.8174.1-86169.6000113L336 R340 K342 M346 E347 A348 F385 F390L336-L344 HydrophobicContact CD2-CD1 4.46Å; R340-L344 WeakPolarHBondContact O-CB 3.02Å; R340-L344 WeakPolarHBondContact O-CG 3.32Å; R340-L344 PolarHBondContact O-N 2.65Å; K342-L344 VanDerWaalsContact C-N 3.3Å; K342-L344 PolarHBondContact O-N 3.42Å; L344-M346 VanDerWaalsContact C-N 3.32Å; L344-M346 PolarHBondContact O-N 3Å; L344-E347 PolarHBondContact O-N 2.88Å; L344-A348 WeakPolarHBondContact O-CB 3.05Å; L344-A348 PolarHBondContact O-N 2.97Å; L344-A348 VanDerWaalsContact O-N 3.07Å; L344-F385 HydrophobicContact CD1-CE1 4.36Å; L344-F385 HydrophobicContact CD2-CB 4.5Å; L344-F385 HydrophobicContact CD2-CD1 3.26Å; L344-F385 HydrophobicContact CD2-CE1 3.74Å; L344-F385 HydrophobicContact CD2-CG 4.23Å; L344-F385 HydrophobicContact CG-CD1 3.91Å; L344-F385 HydrophobicContact CG-CE1 3.84Å; L344-F390 HydrophobicContact CD1-CE2 4.38Å
345L47.6Very low47.2Very low64 Ų6468.3 Ų68.334%0.33534%0.34SS..Hα-helixtrans-62.7-38.8175-81.4-178000112.6L341 K342 L343 A348 N349L341-L345 WeakPolarHBondContact O-CG 3.46Å; L341-L345 PolarHBondContact O-N 3.41Å; K342-L345 PolarHBondContact O-N 3.2Å; L343-L345 PolarHBondContact O-N 3.04Å; L345-A348 PolarHBondContact O-N 3.35Å; L345-N349 WeakPolarHBondContact O-CB 3.48Å; L345-N349 PolarHBondContact O-N 3.24Å; L345-N349 PolarHBondContact O-ND2 3.45Å
346M46.1Very low47.4Very low133 Ų13366.4 Ų66.466%0.65533%0.331SS*.Hα-helixtrans-63.6-43.2-178.9-71.8177.6102.700111.3K342 L343 L344 A348 K350K342-M346 WeakPolarHBondContact O-CG 3.34Å; K342-M346 PolarHBondContact O-N 3.43Å; L343-M346 WeakPolarHBondContact O-CB 3.11Å; L343-M346 PolarHBondContact O-N 2.98Å; L343-M346 VanDerWaalsContact O-N 3.15Å; L344-M346 VanDerWaalsContact C-N 3.32Å; L344-M346 PolarHBondContact O-N 3Å; M346-A348 VanDerWaalsContact C-N 3.34Å; M346-K350 PolarHBondContact O-N 3.19Å; M346-K350 VanDerWaalsContact O-N 3.12Å
347E47.1Very low47.8Very low83 Ų8368.7 Ų68.739%0.38835%0.346SS..Hα-helixtrans-66.2-38.4174.8-70.8-174.7163.300111.8L343 L344 K350 G351 L382L343-E347 PolarHBondContact O-N 3.23Å; L343-E347 VanDerWaalsContact O-N 3.11Å; L344-E347 PolarHBondContact O-N 2.88Å; E347-K350 VanDerWaalsContact O-CB 3.26Å; E347-K350 WeakPolarHBondContact O-CB 3.49Å; E347-K350 PolarHBondContact O-N 2.86Å; E347-K350 VanDerWaalsContact O-N 3.14Å; E347-G351 PolarHBondContact O-N 3.22Å; E347-G351 VanDerWaalsContact O-N 3.13Å; E347-L382 HydrophobicContact CB-CD2 3.8Å
348A46.5Very low47.9Very low10 Ų1068.2 Ų68.28%0.08334%0.342CS..Hα-helixtrans-71.5-37.6-177.300000112.2M325 L344 L345 M346 K350 G351 M352 L382M325-A348 HydrophobicContact SD-CB 3.28Å; M325-A348 WeakPolarHBondContact SD-CB 3.4Å; L344-A348 WeakPolarHBondContact O-CB 3.05Å; L344-A348 PolarHBondContact O-N 2.97Å; L344-A348 VanDerWaalsContact O-N 3.07Å; L345-A348 PolarHBondContact O-N 3.35Å; M346-A348 VanDerWaalsContact C-N 3.34Å; A348-K350 VanDerWaalsContact C-N 3.28Å; A348-K350 PolarHBondContact O-N 3.28Å; A348-G351 PolarHBondContact O-N 3.37Å; A348-M352 PolarHBondContact O-N 3.01Å; A348-L382 VanDerWaalsContact CA-CD2 3.44Å; A348-L382 HydrophobicContact CB-CD1 4.48Å; A348-L382 HydrophobicContact CB-CD2 3.71Å
349N47.8Very low48.1Very low64 Ų6464.2 Ų64.234%0.34232%0.318SS..Hα-helixtrans-59.1-40.5168.6-74.1-19.2000111L345 G351 M352 Y353L345-N349 WeakPolarHBondContact O-CB 3.48Å; L345-N349 PolarHBondContact O-N 3.24Å; L345-N349 PolarHBondContact O-ND2 3.45Å; N349-G351 VanDerWaalsContact C-N 3.33Å; N349-G351 PolarHBondContact O-N 3.47Å; N349-M352 WeakPolarHBondContact O-CB 3.47Å; N349-M352 PolarHBondContact O-N 2.93Å; N349-M352 VanDerWaalsContact O-N 3.16Å; N349-Y353 HydrophobicContact CB-CE2 4.11Å; N349-Y353 WeakPolarHBondContact O-CD2 3.25Å; N349-Y353 PolarHBondContact O-N 3.39Å
350K48.7Very low48.4Very low132 Ų13261.6 Ų61.657%0.57431%0.31SS*.Hα-helixtrans-58.1-43.4175-167.4-179.9178.9-179.20112.2M346 E347 A348 Y353 C354M346-K350 PolarHBondContact O-N 3.19Å; M346-K350 VanDerWaalsContact O-N 3.12Å; E347-K350 VanDerWaalsContact O-CB 3.26Å; E347-K350 WeakPolarHBondContact O-CB 3.49Å; E347-K350 PolarHBondContact O-N 2.86Å; E347-K350 VanDerWaalsContact O-N 3.14Å; A348-K350 VanDerWaalsContact C-N 3.28Å; A348-K350 PolarHBondContact O-N 3.28Å; K350-Y353 PolarHBondContact O-N 2.84Å; K350-C354 PolarHBondContact O-N 3.26Å; K350-C354 VanDerWaalsContact O-N 3.1Å; K350-C354 PolarHBondContact O-SG 2.92Å
351G49.5Very low48.7Very low8 Ų860.7 Ų60.78%0.08231%0.311CS..Hα-helixtrans-61.4-43173.700000113.1E347 A348 N349 Y353 C354 S355E347-G351 PolarHBondContact O-N 3.22Å; E347-G351 VanDerWaalsContact O-N 3.13Å; A348-G351 PolarHBondContact O-N 3.37Å; N349-G351 VanDerWaalsContact C-N 3.33Å; N349-G351 PolarHBondContact O-N 3.47Å; G351-Y353 VanDerWaalsContact C-N 3.35Å; G351-Y353 PolarHBondContact O-N 3.1Å; G351-C354 PolarHBondContact O-N 2.99Å; G351-S355 PolarHBondContact O-N 3.06Å; G351-S355 PolarHBondContact O-OG 3.39Å
352M50.2Low49.1Very low41 Ų4160.1 Ų60.120%0.20231%0.308CS..Hα-helixtrans-60.6-41.5175.2-171.7-177.870.500112.1A348 N349 C354 S355 Q356A348-M352 PolarHBondContact O-N 3.01Å; N349-M352 WeakPolarHBondContact O-CB 3.47Å; N349-M352 PolarHBondContact O-N 2.93Å; N349-M352 VanDerWaalsContact O-N 3.16Å; M352-C354 PolarHBondContact O-N 3.49Å; M352-S355 WeakPolarHBondContact CA-OG 3.38Å; M352-S355 PolarHBondContact O-N 3.41Å; M352-S355 PolarHBondContact O-OG 3.1Å; M352-Q356 WeakPolarHBondContact O-CG 3.36Å; M352-Q356 PolarHBondContact O-N 3.42Å
353Y49.3Very low49.6Very low139 Ų13958.2 Ų58.255%0.54531%0.31SS..Hα-helixtrans-62.4-41.8174.2-71.2-65.7000111.7N349 K350 G351 S355 Q356 V357N349-Y353 HydrophobicContact CB-CE2 4.11Å; N349-Y353 WeakPolarHBondContact O-CD2 3.25Å; N349-Y353 PolarHBondContact O-N 3.39Å; K350-Y353 PolarHBondContact O-N 2.84Å; G351-Y353 VanDerWaalsContact C-N 3.35Å; G351-Y353 PolarHBondContact O-N 3.1Å; Y353-S355 VanDerWaalsContact C-N 3.35Å; Y353-S355 PolarHBondContact O-N 3.45Å; Y353-Q356 PolarHBondContact O-N 2.88Å; Y353-V357 VanDerWaalsContact O-CG2 3.31Å; Y353-V357 WeakPolarHBondContact O-CG2 3.32Å; Y353-V357 PolarHBondContact O-N 3.11Å
354C49.1Very low50.3Low31 Ų3158.7 Ų58.721%0.20931%0.309CS..Hα-helixtrans-64.4-36.5177.7-63.90000112.8K350 G351 M352 K358 V375K350-C354 PolarHBondContact O-N 3.26Å; K350-C354 VanDerWaalsContact O-N 3.1Å; K350-C354 PolarHBondContact O-SG 2.92Å; G351-C354 PolarHBondContact O-N 2.99Å; M352-C354 PolarHBondContact O-N 3.49Å; C354-K358 PolarHBondContact O-N 3.22Å; C354-K358 VanDerWaalsContact O-N 3.17Å; C354-V375 HydrophobicContact CB-CG2 3.82Å
355S52.5Low50.5Low14 Ų1461 Ų6110%0.09834%0.338CS..Hα-helixtrans-70.5-35172.148.20000113.6L318 G351 M352 Y353 V357 K358 C359L318-S355 WeakPolarHBondContact CD2-OG 3.39Å; G351-S355 PolarHBondContact O-N 3.06Å; G351-S355 PolarHBondContact O-OG 3.39Å; M352-S355 WeakPolarHBondContact CA-OG 3.38Å; M352-S355 PolarHBondContact O-N 3.41Å; M352-S355 PolarHBondContact O-OG 3.1Å; Y353-S355 VanDerWaalsContact C-N 3.35Å; Y353-S355 PolarHBondContact O-N 3.45Å; S355-V357 VanDerWaalsContact C-N 3.34Å; S355-K358 WeakPolarHBondContact O-CA 3.42Å; S355-K358 VanDerWaalsContact O-CB 3.26Å; S355-K358 WeakPolarHBondContact O-CB 2.84Å; S355-K358 PolarHBondContact O-N 3.08Å; S355-K358 VanDerWaalsContact O-N 3.1Å; S355-C359 PolarHBondContact O-N 3.31Å
356Q51.4Low50.6Low91 Ų9163.9 Ų63.943%0.42535%0.348SS..Hα-helixtrans-64.3-40.4173-75.4174.9-13.100111.3M352 Y353 K358 C359 A360M352-Q356 WeakPolarHBondContact O-CG 3.36Å; M352-Q356 PolarHBondContact O-N 3.42Å; Y353-Q356 PolarHBondContact O-N 2.88Å; Q356-K358 PolarHBondContact O-N 3.48Å; Q356-C359 PolarHBondContact O-N 3.02Å; Q356-A360 PolarHBondContact O-N 3.22Å
357V52Low50.6Low76 Ų7665.2 Ų65.246%0.46136%0.358SS..Hα-helixtrans-58-37.5171.4172.10000110.5Y353 S355 A360 C361Y353-V357 VanDerWaalsContact O-CG2 3.31Å; Y353-V357 WeakPolarHBondContact O-CG2 3.32Å; Y353-V357 PolarHBondContact O-N 3.11Å; S355-V357 VanDerWaalsContact C-N 3.34Å; V357-A360 WeakPolarHBondContact O-CB 3.37Å; V357-A360 PolarHBondContact O-N 2.9Å; V357-C361 PolarHBondContact O-N 3.39Å; V357-C361 PolarHBondContact O-SG 3.13Å
358K50.3Low50.7Low21 Ų2164.2 Ų64.29%0.09135%0.353CS..Hα-helixtrans-65.7-45.4174.3-159-177.5-167.4-168.10112.8Y314 C354 S355 Q356 A360 C361 V362Y314-K358 HydrophobicContact CE1-CD 3.79Å; Y314-K358 WeakPolarHBondContact OH-CD 3.25Å; Y314-K358 WeakPolarHBondContact OH-CE 3.49Å; Y314-K358 PolarHBondContact OH-NZ 2.9Å; C354-K358 PolarHBondContact O-N 3.22Å; C354-K358 VanDerWaalsContact O-N 3.17Å; S355-K358 WeakPolarHBondContact O-CA 3.42Å; S355-K358 VanDerWaalsContact O-CB 3.26Å; S355-K358 WeakPolarHBondContact O-CB 2.84Å; S355-K358 PolarHBondContact O-N 3.08Å; S355-K358 VanDerWaalsContact O-N 3.1Å; Q356-K358 PolarHBondContact O-N 3.48Å; K358-A360 PolarHBondContact O-N 3.09Å; K358-C361 PolarHBondContact O-N 2.99Å; K358-V362 HydrophobicContact CG-CG2 4.49Å; K358-V362 WeakPolarHBondContact O-CB 3.3Å; K358-V362 VanDerWaalsContact O-CG2 3.25Å; K358-V362 WeakPolarHBondContact O-CG2 3.42Å; K358-V362 PolarHBondContact O-N 3.02Å
359C49.2Very low50.9Low23 Ų2369.1 Ų69.116%0.15538%0.382CS..Hα-helixtrans-55.6-42.4172.5-76.50000111.1L311 S355 Q356 S363L311-C359 HydrophobicContact CD2-CB 3.61Å; S355-C359 PolarHBondContact O-N 3.31Å; Q356-C359 PolarHBondContact O-N 3.02Å; C359-S363 WeakPolarHBondContact O-CB 3.41Å; C359-S363 PolarHBondContact O-N 3.02Å; C359-S363 PolarHBondContact O-OG 2.96Å
360A53.1Low50.8Low45 Ų4573.9 Ų73.937%0.37240%0.402SS..Hα-helixtrans-64.4-47.8175.500000112.1Q356 V357 K358 V362 S363 E364Q356-A360 PolarHBondContact O-N 3.22Å; V357-A360 WeakPolarHBondContact O-CB 3.37Å; V357-A360 PolarHBondContact O-N 2.9Å; K358-A360 PolarHBondContact O-N 3.09Å; A360-V362 VanDerWaalsContact C-N 3.32Å; A360-V362 PolarHBondContact O-N 3.34Å; A360-S363 WeakPolarHBondContact CA-OG 3.25Å; A360-S363 PolarHBondContact O-N 2.88Å; A360-S363 PolarHBondContact O-OG 3.24Å; A360-E364 WeakPolarHBondContact O-CG 3.38Å; A360-E364 PolarHBondContact O-N 3.06Å
361C51Low50.7Low28 Ų2869.8 Ų69.819%0.18939%0.388CS..Hα-helixtrans-63.8-35.4178.8-660000113.1V357 K358 E364 G365 K366V357-C361 PolarHBondContact O-N 3.39Å; V357-C361 PolarHBondContact O-SG 3.13Å; K358-C361 PolarHBondContact O-N 2.99Å; C361-E364 CarbonylContact O-C 3.51Å; C361-E364 PolarHBondContact O-N 3.16Å; C361-G365 PolarHBondContact O-N 3.16Å; C361-G365 VanDerWaalsContact O-N 3.14Å; C361-K366 PolarHBondContact O-N 3.31Å
362V55.6Low50.5Low14 Ų1473.4 Ų73.49%0.08540%0.399CS..Hα-helixtrans-68.2-41.6175.6173.30000110.1V307 Y314 K358 A360 E364 G365 H368V307-V362 HydrophobicContact CG1-CG1 4.01Å; Y314-V362 HydrophobicContact CE2-CG2 4.3Å; K358-V362 HydrophobicContact CG-CG2 4.49Å; K358-V362 WeakPolarHBondContact O-CB 3.3Å; K358-V362 VanDerWaalsContact O-CG2 3.25Å; K358-V362 WeakPolarHBondContact O-CG2 3.42Å; K358-V362 PolarHBondContact O-N 3.02Å; A360-V362 VanDerWaalsContact C-N 3.32Å; A360-V362 PolarHBondContact O-N 3.34Å; V362-E364 PolarHBondContact O-N 2.85Å; V362-G365 PolarHBondContact O-N 3.17Å; V362-H368 WeakPolarHBondContact CG2-CE1 3.23Å
363S54.3Low50.4Low77 Ų7777 Ų7754%0.53842%0.415SS..Hα-helixtrans-62.9-24.5173.7720000113.3C359 A360C359-S363 WeakPolarHBondContact O-CB 3.41Å; C359-S363 PolarHBondContact O-N 3.02Å; C359-S363 PolarHBondContact O-OG 2.96Å; A360-S363 WeakPolarHBondContact CA-OG 3.25Å; A360-S363 PolarHBondContact O-N 2.88Å; A360-S363 PolarHBondContact O-OG 3.24Å
364E61Low50.2Low118 Ų11875.9 Ų75.955%0.55142%0.416SS*.THydrogen-bonded Turntrans-96-1.8178.7-69.3-175.4178.700114.4A360 C361 V362 K366A360-E364 WeakPolarHBondContact O-CG 3.38Å; A360-E364 PolarHBondContact O-N 3.06Å; C361-E364 CarbonylContact O-C 3.51Å; C361-E364 PolarHBondContact O-N 3.16Å; V362-E364 PolarHBondContact O-N 2.85Å; E364-K366 HydrophobicContact CB-CD 4.45Å; E364-K366 HydrophobicContact CB-CG 4.49Å; E364-K366 PolarHBondContact O-N 3.29Å; E364-K366 WeakPolarHBondContact OE2-CE 3.46Å; E364-K366 IonicContact OE2-NZ 2.75Å; E364-K366 PolarHBondContact OE2-NZ 3.48Å
365G47.7Very low50Low70 Ų7075 Ų7572%0.72241%0.409SS*.THydrogen-bonded Turntrans67.125.6176.600000116C361 V362C361-G365 PolarHBondContact O-N 3.16Å; C361-G365 VanDerWaalsContact O-N 3.14Å; V362-G365 PolarHBondContact O-N 3.17Å
366K50Low49.9Very low123 Ų12377.4 Ų77.454%0.53542%0.421SS..  trans-95.3142.8-177.9-69173.6-178.1158.70112.7C361 E364 H368C361-K366 PolarHBondContact O-N 3.31Å; E364-K366 HydrophobicContact CB-CD 4.45Å; E364-K366 HydrophobicContact CB-CG 4.49Å; E364-K366 PolarHBondContact O-N 3.29Å; E364-K366 WeakPolarHBondContact OE2-CE 3.46Å; E364-K366 IonicContact OE2-NZ 2.75Å; E364-K366 PolarHBondContact OE2-NZ 3.48Å; K366-H368 PolarHBondContact O-CE1 2.94Å; K366-H368 PolarHBondContact O-ND1 3.38Å; K366-H368 PolarHBondContact O-NE2 3.26Å
367D47.2Very low49.8Very low162 Ų16279 Ų7987%0.86642%0.423SS*.  trans-59.7134.1-177.1-108.5-29.4000113.7
368H48Very low49.6Very low62 Ų6276.7 Ų76.729%0.28741%0.409SS..  trans-102.53.1-156.2-66-61.7000116.3V362 K366 W372V362-H368 WeakPolarHBondContact CG2-CE1 3.23Å; K366-H368 PolarHBondContact O-CE1 2.94Å; K366-H368 PolarHBondContact O-ND1 3.38Å; K366-H368 PolarHBondContact O-NE2 3.26Å; H368-W372 WeakPolarHBondContact O-CB 3.47Å; H368-W372 PolarHBondContact O-N 3.28Å
369T50.2Low49.7Very low112 Ų11278 Ų7869%0.68742%0.416SS*.Hα-helixtrans-70.3-44.8-165.149.40000114W372T369-W372 WeakPolarHBondContact O-CB 3.31Å; T369-W372 PolarHBondContact O-N 2.61Å
370E46.8Very low49.6Very low165 Ų16580.1 Ų80.177%0.77142%0.424SS*.Hα-helixtrans-70.7-35.6-175-126.6175.3-174.500113.2W372E370-W372 VanDerWaalsContact C-N 3.34Å
371V45.3Very low49.2Very low46 Ų4680.9 Ų80.928%0.27943%0.426SS..Hα-helixtrans-72.5-30.9178.9-175.80000111Q374 V375V371-Q374 PolarHBondContact O-N 3.31Å; V371-V375 HydrophobicContact CG1-CG2 4.28Å; V371-V375 WeakPolarHBondContact O-CG2 3.5Å; V371-V375 PolarHBondContact O-N 3.14Å
372W45.4Very low49.1Very low83 Ų8380.9 Ų80.931%0.31442%0.424SS..Hα-helixtrans-61.8-44.3-179.9-129.898.1000112.7E298 H368 T369 E370 Q374 V375 N376E298-W372 HydrophobicContact CG-CH2 3.91Å; E298-W372 HydrophobicContact CG-CZ2 4.08Å; E298-W372 WeakPolarHBondContact OE1-CH2 3.45Å; H368-W372 WeakPolarHBondContact O-CB 3.47Å; H368-W372 PolarHBondContact O-N 3.28Å; T369-W372 WeakPolarHBondContact O-CB 3.31Å; T369-W372 PolarHBondContact O-N 2.61Å; E370-W372 VanDerWaalsContact C-N 3.34Å; W372-Q374 VanDerWaalsContact C-N 3.28Å; W372-Q374 PolarHBondContact O-N 3.34Å; W372-V375 PolarHBondContact O-N 2.82Å; W372-N376 VanDerWaalsContact CE3-ND2 3.32Å; W372-N376 WeakPolarHBondContact CZ3-ND2 3.41Å; W372-N376 WeakPolarHBondContact O-CB 3.31Å; W372-N376 PolarHBondContact O-N 3.19Å
373E48.8Very low48.7Very low116 Ų11681.8 Ų81.854%0.54243%0.428SS..Hα-helixtrans-63-36.2176.5-67.9-168.8171.600112.2R377E373-R377 VanDerWaalsContact CB-NH2 3.29Å; E373-R377 WeakPolarHBondContact O-CB 3.27Å; E373-R377 VanDerWaalsContact O-CG 3.23Å; E373-R377 WeakPolarHBondContact O-CG 3.44Å; E373-R377 PolarHBondContact O-N 3.16Å; E373-R377 PolarHBondContact O-NE 2.99Å; E373-R377 IonicContact OE2-CZ 3.55Å; E373-R377 IonicContact OE2-NH1 2.82Å; E373-R377 PolarHBondContact OE2-NH1 3.29Å; E373-R377 IonicContact OE2-NH2 2.81Å; E373-R377 PolarHBondContact OE2-NH2 2.84Å
374Q44.5Very low48.4Very low117 Ų11779 Ų7955%0.54741%0.407SS..Hα-helixtrans-70.3-43.3178-75-177.7-6.500112.2V371 W372 R377 V378V371-Q374 PolarHBondContact O-N 3.31Å; W372-Q374 VanDerWaalsContact C-N 3.28Å; W372-Q374 PolarHBondContact O-N 3.34Å; Q374-R377 PolarHBondContact O-N 3.17Å; Q374-V378 WeakPolarHBondContact O-CG2 3.32Å; Q374-V378 PolarHBondContact O-N 3.42Å; Q374-V378 VanDerWaalsContact O-N 3.09Å
375V46.8Very low47.6Very low11 Ų1175.8 Ų75.87%0.06739%0.391CS..Hα-helixtrans-62-46.1176.4173.80000110.7C354 V371 W372 R377 V378 I379C354-V375 HydrophobicContact CB-CG2 3.82Å; V371-V375 HydrophobicContact CG1-CG2 4.28Å; V371-V375 WeakPolarHBondContact O-CG2 3.5Å; V371-V375 PolarHBondContact O-N 3.14Å; W372-V375 PolarHBondContact O-N 2.82Å; V375-R377 VanDerWaalsContact C-N 3.33Å; V375-R377 PolarHBondContact O-N 2.82Å; V375-V378 PolarHBondContact O-N 3.4Å; V375-V378 VanDerWaalsContact O-N 3.1Å; V375-I379 HydrophobicContact CG1-CD1 3.69Å; V375-I379 HydrophobicContact CG1-CG1 4.25Å; V375-I379 PolarHBondContact O-N 2.76Å
376N49Very low47.5Very low66 Ų6674.4 Ų74.435%0.35337%0.37SS..Hα-helixtrans-62.1-40.1177.3-93.34.4000112.7W372 V378 Q380W372-N376 VanDerWaalsContact CE3-ND2 3.32Å; W372-N376 WeakPolarHBondContact CZ3-ND2 3.41Å; W372-N376 WeakPolarHBondContact O-CB 3.31Å; W372-N376 PolarHBondContact O-N 3.19Å; N376-V378 VanDerWaalsContact C-N 3.28Å; N376-V378 PolarHBondContact O-N 2.92Å; N376-Q380 WeakPolarHBondContact O-CB 3.43Å; N376-Q380 WeakPolarHBondContact O-CG 3.45Å; N376-Q380 PolarHBondContact O-N 3.48Å
377R49.1Very low47.3Very low125 Ų12570.4 Ų70.447%0.47236%0.356SS..Hα-helixtrans-59.1-39.7173.2-79.7-177.5-76.5-115.90.9111.7E373 Q374 V375 Q380 C381E373-R377 VanDerWaalsContact CB-NH2 3.29Å; E373-R377 WeakPolarHBondContact O-CB 3.27Å; E373-R377 VanDerWaalsContact O-CG 3.23Å; E373-R377 WeakPolarHBondContact O-CG 3.44Å; E373-R377 PolarHBondContact O-N 3.16Å; E373-R377 PolarHBondContact O-NE 2.99Å; E373-R377 IonicContact OE2-CZ 3.55Å; E373-R377 IonicContact OE2-NH1 2.82Å; E373-R377 PolarHBondContact OE2-NH1 3.29Å; E373-R377 IonicContact OE2-NH2 2.81Å; E373-R377 PolarHBondContact OE2-NH2 2.84Å; Q374-R377 PolarHBondContact O-N 3.17Å; V375-R377 VanDerWaalsContact C-N 3.33Å; V375-R377 PolarHBondContact O-N 2.82Å; R377-Q380 WeakPolarHBondContact O-CB 3.22Å; R377-C381 PolarHBondContact O-N 3.42Å; R377-C381 PolarHBondContact O-SG 2.9Å
378V48.6Very low47.1Very low27 Ų2765.2 Ų65.216%0.16433%0.326CS..Hα-helixtrans-77.6-44.1-177.7176.20000112.9Q374 V375 N376 Q380 C381 L382Q374-V378 WeakPolarHBondContact O-CG2 3.32Å; Q374-V378 PolarHBondContact O-N 3.42Å; Q374-V378 VanDerWaalsContact O-N 3.09Å; V375-V378 PolarHBondContact O-N 3.4Å; V375-V378 VanDerWaalsContact O-N 3.1Å; N376-V378 VanDerWaalsContact C-N 3.28Å; N376-V378 PolarHBondContact O-N 2.92Å; V378-Q380 VanDerWaalsContact C-N 3.25Å; V378-Q380 PolarHBondContact O-N 3.38Å; V378-C381 WeakPolarHBondContact O-CB 3.13Å; V378-C381 PolarHBondContact O-N 2.93Å; V378-C381 VanDerWaalsContact O-N 3.16Å; V378-L382 HydrophobicContact CG1-CD1 4.35Å; V378-L382 WeakPolarHBondContact O-CG 3.4Å; V378-L382 PolarHBondContact O-N 3.15Å
379I51.8Low46.9Very low48 Ų4866.8 Ų66.825%0.24633%0.332CS..Hα-helixtrans-62.4-38.5174.5-66175.4000110.1V375 L382 L383V375-I379 HydrophobicContact CG1-CD1 3.69Å; V375-I379 HydrophobicContact CG1-CG1 4.25Å; V375-I379 PolarHBondContact O-N 2.76Å; I379-L382 PolarHBondContact O-N 3.47Å; I379-L383 HydrophobicContact CG2-CD1 4.1Å; I379-L383 PolarHBondContact O-N 3.1Å; I379-L383 VanDerWaalsContact O-N 3.1Å
380Q48.3Very low46.9Very low68 Ų6863 Ų6332%0.31831%0.306SS..Hα-helixtrans-56-58.9168.4-91.8177-15.400110.8W274 N376 R377 V378 L382 L383 I384W274-Q380 VanDerWaalsContact CD1-NE2 3.27Å; W274-Q380 VanDerWaalsContact CD1-OE1 3.28Å; W274-Q380 HydrophobicContact CG-CG 4.41Å; N376-Q380 WeakPolarHBondContact O-CB 3.43Å; N376-Q380 WeakPolarHBondContact O-CG 3.45Å; N376-Q380 PolarHBondContact O-N 3.48Å; R377-Q380 WeakPolarHBondContact O-CB 3.22Å; V378-Q380 VanDerWaalsContact C-N 3.25Å; V378-Q380 PolarHBondContact O-N 3.38Å; Q380-L382 PolarHBondContact O-N 3.4Å; Q380-L382 VanDerWaalsContact O-N 3.08Å; Q380-L383 WeakPolarHBondContact O-CB 3.4Å; Q380-L383 PolarHBondContact O-N 3.37Å; Q380-I384 HydrophobicContact CB-CD1 4.25Å; Q380-I384 WeakPolarHBondContact O-CD1 3.3Å; Q380-I384 WeakPolarHBondContact O-CG1 3.2Å; Q380-I384 PolarHBondContact O-N 2.89Å
381C44.5Very low46.8Very low60 Ų6059.4 Ų59.441%0.40529%0.288SS..Hα-helixtrans-43.8-44.8178.3-76.80000112.4R377 V378 I384 F385R377-C381 PolarHBondContact O-N 3.42Å; R377-C381 PolarHBondContact O-SG 2.9Å; V378-C381 WeakPolarHBondContact O-CB 3.13Å; V378-C381 PolarHBondContact O-N 2.93Å; V378-C381 VanDerWaalsContact O-N 3.16Å; C381-I384 PolarHBondContact O-N 3.29Å; C381-F385 PolarHBondContact O-N 2.86Å
382L48.1Very low47Very low29 Ų2962.7 Ų62.715%0.15230%0.298CS..Hα-helixtrans-65.1-44.9178.6-73.2164.5000113.8E347 A348 V378 I379 Q380 I384 F385 C386E347-L382 HydrophobicContact CB-CD2 3.8Å; A348-L382 VanDerWaalsContact CA-CD2 3.44Å; A348-L382 HydrophobicContact CB-CD1 4.48Å; A348-L382 HydrophobicContact CB-CD2 3.71Å; V378-L382 HydrophobicContact CG1-CD1 4.35Å; V378-L382 WeakPolarHBondContact O-CG 3.4Å; V378-L382 PolarHBondContact O-N 3.15Å; I379-L382 PolarHBondContact O-N 3.47Å; Q380-L382 PolarHBondContact O-N 3.4Å; Q380-L382 VanDerWaalsContact O-N 3.08Å; L382-I384 VanDerWaalsContact C-N 3.31Å; L382-I384 PolarHBondContact O-N 3.48Å; L382-F385 PolarHBondContact O-N 3.44Å; L382-C386 WeakPolarHBondContact O-CB 3.5Å; L382-C386 PolarHBondContact O-N 3.41Å; L382-C386 VanDerWaalsContact O-N 3.14Å
383L47.5Very low47.8Very low32 Ų3258.7 Ų58.717%0.16828%0.283CS..Hα-helixtrans-63.9-36.5176.6-80.5157.7000111.7F281 I379 Q380 V387F281-L383 HydrophobicContact CD1-CD2 4.18Å; F281-L383 HydrophobicContact CE1-CB 4.36Å; F281-L383 HydrophobicContact CE1-CD2 3.34Å; F281-L383 HydrophobicContact CE1-CG 4.41Å; F281-L383 HydrophobicContact CZ-CB 4.34Å; F281-L383 HydrophobicContact CZ-CD2 3.71Å; F281-L383 HydrophobicContact CZ-CG 4.48Å; I379-L383 HydrophobicContact CG2-CD1 4.1Å; I379-L383 PolarHBondContact O-N 3.1Å; I379-L383 VanDerWaalsContact O-N 3.1Å; Q380-L383 WeakPolarHBondContact O-CB 3.4Å; Q380-L383 PolarHBondContact O-N 3.37Å; L383-V387 WeakPolarHBondContact O-CB 3.01Å; L383-V387 VanDerWaalsContact O-CG2 3.27Å; L383-V387 WeakPolarHBondContact O-CG2 3.49Å; L383-V387 PolarHBondContact O-N 3.23Å
384I47.1Very low48.6Very low20 Ų2055 Ų5510%0.10327%0.267CS..Hα-helixtrans-71.5-46.5178.9-56.8129000110.3W274 L279 Q380 C381 L382 C386 V387 F388W274-I384 HydrophobicContact CB-CD1 4.47Å; W274-I384 HydrophobicContact CB-CG1 4.14Å; W274-I384 HydrophobicContact CD2-CD1 2.94Å; W274-I384 HydrophobicContact CD2-CG1 3.34Å; W274-I384 HydrophobicContact CE3-CB 4.17Å; W274-I384 HydrophobicContact CE3-CD1 3.2Å; W274-I384 HydrophobicContact CE3-CG1 3.29Å; W274-I384 HydrophobicContact CE3-CG2 3.87Å; W274-I384 HydrophobicContact CG-CD1 3.5Å; W274-I384 HydrophobicContact CG-CG1 3.66Å; W274-I384 HydrophobicContact CH2-CD1 3.44Å; W274-I384 VanDerWaalsContact CH2-CD1 3.44Å; W274-I384 HydrophobicContact CH2-CG1 4.32Å; W274-I384 HydrophobicContact CZ2-CD1 3.24Å; W274-I384 HydrophobicContact CZ2-CG1 4.4Å; W274-I384 HydrophobicContact CZ3-CB 4.27Å; W274-I384 HydrophobicContact CZ3-CD1 3.43Å; W274-I384 VanDerWaalsContact CZ3-CD1 3.43Å; W274-I384 HydrophobicContact CZ3-CG1 3.81Å; W274-I384 HydrophobicContact CZ3-CG2 3.77Å; L279-I384 HydrophobicContact CD1-CG1 3.9Å; Q380-I384 HydrophobicContact CB-CD1 4.25Å; Q380-I384 WeakPolarHBondContact O-CD1 3.3Å; Q380-I384 WeakPolarHBondContact O-CG1 3.2Å; Q380-I384 PolarHBondContact O-N 2.89Å; C381-I384 PolarHBondContact O-N 3.29Å; L382-I384 VanDerWaalsContact C-N 3.31Å; L382-I384 PolarHBondContact O-N 3.48Å; I384-C386 PolarHBondContact O-N 3.45Å; I384-V387 PolarHBondContact O-N 2.97Å; I384-F388 HydrophobicContact CG2-CB 4.2Å; I384-F388 HydrophobicContact CG2-CD2 4.34Å; I384-F388 HydrophobicContact CG2-CG 4.47Å; I384-F388 WeakPolarHBondContact O-CB 3.2Å; I384-F388 PolarHBondContact O-N 3.49Å
385F44.5Very low49.6Very low49 Ų4952.8 Ų52.822%0.21526%0.261CS..Hα-helixtrans-68.4-39.2-174.2-162.9-78.5000111.4L344 C381 L382 V387 F389L344-F385 HydrophobicContact CD1-CE1 4.36Å; L344-F385 HydrophobicContact CD2-CB 4.5Å; L344-F385 HydrophobicContact CD2-CD1 3.26Å; L344-F385 HydrophobicContact CD2-CE1 3.74Å; L344-F385 HydrophobicContact CD2-CG 4.23Å; L344-F385 HydrophobicContact CG-CD1 3.91Å; L344-F385 HydrophobicContact CG-CE1 3.84Å; C381-F385 PolarHBondContact O-N 2.86Å; L382-F385 PolarHBondContact O-N 3.44Å; F385-V387 VanDerWaalsContact C-N 3.29Å; F385-V387 PolarHBondContact O-N 2.91Å; F385-F389 HydrophobicContact CD1-CB 4.45Å; F385-F389 HydrophobicContact CD1-CD2 4.35Å; F385-F389 AromaticContact CD2-CD2 3.48Å; F385-F389 HydrophobicContact CD2-CD2 3.48Å; F385-F389 VanDerWaalsContact CD2-CD2 3.48Å; F385-F389 AromaticContact CD2-CE2 3.82Å; F385-F389 HydrophobicContact CD2-CE2 3.82Å; F385-F389 HydrophobicContact CE1-CB 4.36Å; F385-F389 HydrophobicContact CE1-CD2 4.26Å; F385-F389 AromaticContact CE2-CD2 3.3Å; F385-F389 HydrophobicContact CE2-CD2 3.3Å; F385-F389 AromaticContact CE2-CE2 3.44Å; F385-F389 HydrophobicContact CE2-CE2 3.44Å; F385-F389 VanDerWaalsContact CE2-CE2 3.44Å; F385-F389 HydrophobicContact CE2-CG 4.19Å; F385-F389 HydrophobicContact CE2-CZ 4.39Å; F385-F389 HydrophobicContact CG-CD2 4.04Å; F385-F389 AromaticContact CZ-CD2 3.75Å; F385-F389 HydrophobicContact CZ-CD2 3.75Å; F385-F389 HydrophobicContact CZ-CE2 4.16Å; F385-F389 HydrophobicContact CZ-CG 4.21Å; F385-F389 WeakPolarHBondContact O-CB 3.23Å
386C45.9Very low50.3Low42 Ų4255.4 Ų55.428%0.28427%0.273SS..Hα-helixtrans-60.1-36174.4-78.70000112.9L382 I384L382-C386 WeakPolarHBondContact O-CB 3.5Å; L382-C386 PolarHBondContact O-N 3.41Å; L382-C386 VanDerWaalsContact O-N 3.14Å; I384-C386 PolarHBondContact O-N 3.45Å
387V45.4Very low50.6Low39 Ų3953.9 Ų53.924%0.23626%0.264CS..Hα-helixtrans-92.1-42.9-175.2177.70000112.9L279 F281 L383 I384 F385L279-V387 HydrophobicContact CD2-CB 4.26Å; L279-V387 HydrophobicContact CD2-CG1 4.01Å; F281-V387 HydrophobicContact CD1-CG2 4.07Å; F281-V387 HydrophobicContact CE1-CG2 3.76Å; L383-V387 WeakPolarHBondContact O-CB 3.01Å; L383-V387 VanDerWaalsContact O-CG2 3.27Å; L383-V387 WeakPolarHBondContact O-CG2 3.49Å; L383-V387 PolarHBondContact O-N 3.23Å; I384-V387 PolarHBondContact O-N 2.97Å; F385-V387 VanDerWaalsContact C-N 3.29Å; F385-V387 PolarHBondContact O-N 2.91Å
388F43.9Very low51.1Low53 Ų5354.4 Ų54.423%0.23228%0.276CS..Hα-helixtrans-75.1-34.1-168.4-135.4-91000113.2R277 L279 I384R277-F388 HydrophobicContact CB-CE2 4.47Å; L279-F388 HydrophobicContact CD2-CD2 4.02Å; I384-F388 HydrophobicContact CG2-CB 4.2Å; I384-F388 HydrophobicContact CG2-CD2 4.34Å; I384-F388 HydrophobicContact CG2-CG 4.47Å; I384-F388 WeakPolarHBondContact O-CB 3.2Å; I384-F388 PolarHBondContact O-N 3.49Å
389F44.2Very low51.6Low94 Ų9458.8 Ų58.841%0.41229%0.294SS..THydrogen-bonded Turntrans-95.5-10.4-168.2-105.9-56.1000113.4R340 F385R340-F389 PolarHBondContact NH2-O 3.48Å; F385-F389 HydrophobicContact CD1-CB 4.45Å; F385-F389 HydrophobicContact CD1-CD2 4.35Å; F385-F389 AromaticContact CD2-CD2 3.48Å; F385-F389 HydrophobicContact CD2-CD2 3.48Å; F385-F389 VanDerWaalsContact CD2-CD2 3.48Å; F385-F389 AromaticContact CD2-CE2 3.82Å; F385-F389 HydrophobicContact CD2-CE2 3.82Å; F385-F389 HydrophobicContact CE1-CB 4.36Å; F385-F389 HydrophobicContact CE1-CD2 4.26Å; F385-F389 AromaticContact CE2-CD2 3.3Å; F385-F389 HydrophobicContact CE2-CD2 3.3Å; F385-F389 AromaticContact CE2-CE2 3.44Å; F385-F389 HydrophobicContact CE2-CE2 3.44Å; F385-F389 VanDerWaalsContact CE2-CE2 3.44Å; F385-F389 HydrophobicContact CE2-CG 4.19Å; F385-F389 HydrophobicContact CE2-CZ 4.39Å; F385-F389 HydrophobicContact CG-CD2 4.04Å; F385-F389 AromaticContact CZ-CD2 3.75Å; F385-F389 HydrophobicContact CZ-CD2 3.75Å; F385-F389 HydrophobicContact CZ-CE2 4.16Å; F385-F389 HydrophobicContact CZ-CG 4.21Å; F385-F389 WeakPolarHBondContact O-CB 3.23Å
390F48.4Very low51.5Low33 Ų3359.6 Ų59.615%0.14530%0.303CS..THydrogen-bonded Turntrans-95.8-34.9-174.2-116.4-87000114.1A332 E335 L336 L344A332-F390 HydrophobicContact CB-CE1 3.57Å; A332-F390 HydrophobicContact CB-CE2 4.04Å; A332-F390 HydrophobicContact CB-CZ 3.15Å; E335-F390 HydrophobicContact CB-CE1 4.46Å; L336-F390 HydrophobicContact CB-CZ 4.03Å; L336-F390 HydrophobicContact CD1-CD2 4.35Å; L336-F390 HydrophobicContact CD1-CE1 3.84Å; L336-F390 HydrophobicContact CD1-CE2 3.43Å; L336-F390 VanDerWaalsContact CD1-CE2 3.43Å; L336-F390 HydrophobicContact CD1-CZ 3.1Å; L336-F390 HydrophobicContact CD2-CE2 3.99Å; L336-F390 HydrophobicContact CD2-CZ 3.86Å; L336-F390 HydrophobicContact CG-CE2 4.25Å; L336-F390 HydrophobicContact CG-CZ 3.8Å; L344-F390 HydrophobicContact CD1-CE2 4.38Å
391F44.6Very low51.5Low89 Ų8965.8 Ų65.839%0.3933%0.33SS..SBendtrans-1165.1-160-74.6-60.5000117.4
392K50.5Low51.9Low115 Ų11567.2 Ų67.250%0.533%0.327SS..SBendtrans-125.5142.7-178.1-77-176161.3-140.20113.6E396K392-E396 WeakPolarHBondContact CD-OE2 3.39Å; K392-E396 WeakPolarHBondContact CE-OE2 3.28Å; K392-E396 IonicContact NZ-OE2 3.88Å; K392-E396 PolarHBondContact NZ-OE2 3.17Å
393A62.2Low52.3Low0 Ų074.7 Ų74.70%036%0.358CS..  trans-63.3151.2177.200000111.2V395 E396 Q414 R417A393-V395 PolarHBondContact O-N 3.16Å; A393-E396 PolarHBondContact O-N 3.01Å; A393-E396 VanDerWaalsContact O-N 3.12Å; A393-Q414 CarbonylContact C-O 3.59Å; A393-Q414 WeakPolarHBondContact CA-O 3.31Å; A393-Q414 HydrophobicContact CB-CG 4.22Å; A393-Q414 WeakPolarHBondContact CB-O 3.2Å; A393-R417 HydrophobicContact CB-CG 4.41Å
394I64.9Low52.8Low39 Ų3976.4 Ų76.420%0.237%0.367CS..G310 helixtrans-56.1-37-176.5-71.6-170.5000112.4E396 N397 L398 L404 V413 Q414 L415I394-E396 PolarHBondContact O-N 3.44Å; I394-E396 VanDerWaalsContact O-N 3.17Å; I394-N397 CarbonylContact O-C 3.58Å; I394-N397 WeakPolarHBondContact O-CA 3.25Å; I394-N397 PolarHBondContact O-N 2.86Å; I394-L398 PolarHBondContact O-N 3.38Å; I394-L404 HydrophobicContact CD1-CD1 4.01Å; I394-L404 HydrophobicContact CD1-CD2 4.39Å; I394-V413 HydrophobicContact CD1-CG1 3.2Å; I394-V413 HydrophobicContact CG1-CG1 3.8Å; I394-Q414 PolarHBondContact N-O 2.9Å; I394-L415 HydrophobicContact CD1-CD2 4.17Å; I394-L415 PolarHBondContact N-O 2.78Å
395V65.7Low53.6Low69 Ų6977 Ų7742%0.41838%0.378SS..G310 helixtrans-57.6-31.5-178.579.90000113A393 N397 L398 L415 V416A393-V395 PolarHBondContact O-N 3.16Å; V395-N397 PolarHBondContact O-N 3.4Å; V395-L398 HydrophobicContact CG2-CD1 3.94Å; V395-L398 WeakPolarHBondContact O-CD1 3.2Å; V395-L415 WeakPolarHBondContact CB-O 3.31Å; V395-L415 PolarHBondContact N-O 2.87Å; V395-V416 HydrophobicContact CB-CG2 4.12Å; V395-V416 HydrophobicContact CG1-CG1 4.31Å; V395-V416 HydrophobicContact CG1-CG2 4.31Å; V395-V416 HydrophobicContact CG2-CG2 4.47Å
396E61.5Low54.5Low67 Ų6781.3 Ų81.331%0.31340%0.402SS..G310 helixtrans-75.7-5.7178-66-177.7-142.900112.9K392 A393 I394 H399K392-E396 WeakPolarHBondContact CD-OE2 3.39Å; K392-E396 WeakPolarHBondContact CE-OE2 3.28Å; K392-E396 IonicContact NZ-OE2 3.88Å; K392-E396 PolarHBondContact NZ-OE2 3.17Å; A393-E396 PolarHBondContact O-N 3.01Å; A393-E396 VanDerWaalsContact O-N 3.12Å; I394-E396 PolarHBondContact O-N 3.44Å; I394-E396 VanDerWaalsContact O-N 3.17Å; E396-H399 PolarHBondContact O-CE1 2.73Å
397N56.1Low55.1Low33 Ų3382.5 Ų82.518%0.17642%0.416CS..G310 helixtrans-128.522.3-173.4-65.8-56.9000113.5I394 V395 H399 C400I394-N397 CarbonylContact O-C 3.58Å; I394-N397 WeakPolarHBondContact O-CA 3.25Å; I394-N397 PolarHBondContact O-N 2.86Å; V395-N397 PolarHBondContact O-N 3.4Å; N397-H399 PolarHBondContact O-N 3.05Å; N397-H399 VanDerWaalsContact O-N 3.16Å; N397-C400 PolarHBondContact O-N 2.53Å
398L59.9Low55.5Low136 Ų13682.5 Ų82.571%0.71241%0.414SS*.THydrogen-bonded Turntrans-58-25.8178.8-82.6154.9000113.7I394 V395 C400I394-L398 PolarHBondContact O-N 3.38Å; V395-L398 HydrophobicContact CG2-CD1 3.94Å; V395-L398 WeakPolarHBondContact O-CD1 3.2Å; L398-C400 PolarHBondContact O-N 3.13Å
399H58.4Low56.1Low120 Ų12085.4 Ų85.456%0.55643%0.432SS*.THydrogen-bonded Turntrans-70.1-10.6175.558.8-78.5000113.7E396 N397E396-H399 PolarHBondContact O-CE1 2.73Å; N397-H399 PolarHBondContact O-N 3.05Å; N397-H399 VanDerWaalsContact O-N 3.16Å
400C48.9Very low56.7Low64 Ų6489.3 Ų89.343%0.43245%0.448SS..SBendtrans-108.3121.6177.1-69.60000110.3N397 L398 R402N397-C400 PolarHBondContact O-N 2.53Å; L398-C400 PolarHBondContact O-N 3.13Å; C400-R402 PolarHBondContact O-N 2.87Å
401F49.4Very low56.8Low199 Ų19992.4 Ų92.487%0.87346%0.463SS*.  trans-66.4121.6173.8-178.8-100.3000110.7
402R52.4Low57.2Low90 Ų90100.3 Ų100.334%0.3449%0.49SS..  trans-123.2120.1176.8-178.5-179176.7-174.6-6109.4C400 L404C400-R402 PolarHBondContact O-N 2.87Å; R402-L404 HydrophobicContact CG-CD2 4.33Å; R402-L404 HydrophobicContact CG-CG 4.23Å; R402-L404 VanDerWaalsContact CZ-CD2 3.42Å; R402-L404 VanDerWaalsContact NE-CD2 3.3Å; R402-L404 PolarHBondContact O-N 2.89Å
403K56.4Low57.7Low186 Ų18696.7 Ų96.781%0.80948%0.478SS*.  trans-79.2102.7170.3-167.8176.9-176.7179.70108.7
404L58.7Low57.4Low67 Ų67101.9 Ų101.935%0.35150%0.502SS..  trans-86.4122.7174.6-72.1163.5000109.5I394 R402 D408I394-L404 HydrophobicContact CD1-CD1 4.01Å; I394-L404 HydrophobicContact CD1-CD2 4.39Å; R402-L404 HydrophobicContact CG-CD2 4.33Å; R402-L404 HydrophobicContact CG-CG 4.23Å; R402-L404 VanDerWaalsContact CZ-CD2 3.42Å; R402-L404 VanDerWaalsContact NE-CD2 3.3Å; R402-L404 PolarHBondContact O-N 2.89Å; L404-D408 HydrophobicContact CD2-CB 3.82Å
405G62.7Low57.5Low33 Ų33105.3 Ų105.334%0.3452%0.52SS..  trans-86.6168.3171.300000112.5A407 D408 L409G405-A407 PolarHBondContact O-N 3.1Å; G405-D408 PolarHBondContact N-OD2 3.06Å; G405-D408 WeakPolarHBondContact O-CB 3.48Å; G405-D408 PolarHBondContact O-N 3Å; G405-L409 PolarHBondContact O-N 3.45Å
406L65.2Low57.4Low139 Ų139105.4 Ų105.473%0.72852%0.521SS*.THydrogen-bonded Turntrans-60.9-27.8177-161.574.5000112.7
407A58.4Low57.6Low68 Ų68106.6 Ų106.656%0.56252%0.523SS*.THydrogen-bonded Turntrans-70.5-37.2174.400000112.3G405 L409 K410G405-A407 PolarHBondContact O-N 3.1Å; A407-L409 VanDerWaalsContact C-N 3.29Å; A407-L409 PolarHBondContact O-N 3.22Å; A407-K410 PolarHBondContact O-N 2.85Å
408D52.4Low58Low38 Ų38112 Ų11220%0.20355%0.55CS.*G310 helixtrans-63.8-37.8176.6-63-52.3000110.8L404 G405 K410 V413L404-D408 HydrophobicContact CD2-CB 3.82Å; G405-D408 PolarHBondContact N-OD2 3.06Å; G405-D408 WeakPolarHBondContact O-CB 3.48Å; G405-D408 PolarHBondContact O-N 3Å; D408-K410 VanDerWaalsContact C-N 3.29Å; D408-K410 PolarHBondContact O-N 3.38Å; D408-V413 WeakPolarHBondContact O-CG2 3.33Å
409L57.9Low58.2Low115 Ų115110.7 Ų110.760%0.60255%0.55SS*.G310 helixtrans-72.2-16.8179.9-66.4171.2000114.3G405 A407G405-L409 PolarHBondContact O-N 3.45Å; A407-L409 VanDerWaalsContact C-N 3.29Å; A407-L409 PolarHBondContact O-N 3.22Å
410K55.6Low58.7Low175 Ų175109.5 Ų109.576%0.76155%0.552SS**G310 helixtrans-78.9-30178.5-78.5-177.3178-176.60112.5A407 D408A407-K410 PolarHBondContact O-N 2.85Å; D408-K410 VanDerWaalsContact C-N 3.29Å; D408-K410 PolarHBondContact O-N 3.38Å
411E50.1Low59.7Low98 Ų98111.6 Ų111.646%0.45856%0.559SS.*SBendtrans-88.4152.3172-73.8-179.6-175.400109.7T337 V413T337-E411 WeakPolarHBondContact CG2-OE2 3.41Å; E411-V413 PolarHBondContact O-N 3.17Å
412R53.2Low60.8Low255 Ų255110.9 Ų110.996%0.96256%0.564SS**  trans-6975.4-173.6-67.3-179.2-179.7-1350.7110.7Q414R412-Q414 PolarHBondContact O-N 2.8Å; R412-Q414 VanDerWaalsContact O-N 3.1Å
413V61.5Low61.8Low40 Ų40114 Ų11424%0.24258%0.582CS.*  trans-61.9116.5171.6-174.50000107.5I394 D408 E411 L415I394-V413 HydrophobicContact CD1-CG1 3.2Å; I394-V413 HydrophobicContact CG1-CG1 3.8Å; D408-V413 WeakPolarHBondContact O-CG2 3.33Å; E411-V413 PolarHBondContact O-N 3.17Å; V413-L415 VanDerWaalsContact C-N 3.33Å; V413-L415 PolarHBondContact O-N 2.91Å
414Q56.9Low62.5Low108 Ų108111.7 Ų111.751%0.50559%0.586SS.*  trans-70.893.7176.5-161.6170.32600108.4A393 I394 R412 V416A393-Q414 CarbonylContact C-O 3.59Å; A393-Q414 WeakPolarHBondContact CA-O 3.31Å; A393-Q414 HydrophobicContact CB-CG 4.22Å; A393-Q414 WeakPolarHBondContact CB-O 3.2Å; I394-Q414 PolarHBondContact N-O 2.9Å; R412-Q414 PolarHBondContact O-N 2.8Å; R412-Q414 VanDerWaalsContact O-N 3.1Å; Q414-V416 WeakPolarHBondContact CG-O 3.49Å
415L65.2Low63.1Low111 Ų111113.8 Ų113.858%0.58160%0.601SS**SBendtrans-65-45179.5-70167.2000110.7I394 V395 V413I394-L415 HydrophobicContact CD1-CD2 4.17Å; I394-L415 PolarHBondContact N-O 2.78Å; V395-L415 WeakPolarHBondContact CB-O 3.31Å; V395-L415 PolarHBondContact N-O 2.87Å; V413-L415 VanDerWaalsContact C-N 3.33Å; V413-L415 PolarHBondContact O-N 2.91Å
416V65.1Low63.7Low72 Ų72117.2 Ų117.244%0.43663%0.626SS.*SBendtrans-139.9148.5-179.5-175.10000107.5V395 Q414 I418V395-V416 HydrophobicContact CB-CG2 4.12Å; V395-V416 HydrophobicContact CG1-CG1 4.31Å; V395-V416 HydrophobicContact CG1-CG2 4.31Å; V395-V416 HydrophobicContact CG2-CG2 4.47Å; Q414-V416 WeakPolarHBondContact CG-O 3.49Å; V416-I418 PolarHBondContact O-N 2.86Å
417R66.1Low63.9Low92 Ų92115.8 Ų115.835%0.34763%0.627SS.*  trans-64.8125.1167.6-82.7-173.8172.9-155.6-0.4109.5A393 P419 D421A393-R417 HydrophobicContact CB-CG 4.41Å; R417-P419 CarbonylContact O-C 3.56Å; R417-D421 IonicContact NH1-OD1 3.9Å; R417-D421 IonicContact NH1-OD2 3.51Å
418I64.4Low64.5Low147 Ų147121.9 Ų121.975%0.75464%0.641SS**SBendtrans-123.4124.1175.1-59.7177.6000108.4V416V416-I418 PolarHBondContact O-N 2.86Å
419P64.3Low65.3Low108 Ų108125.4 Ų125.470%0.70167%0.666SS**SBendcis-69153.4-7.430.3-33.8000111.7R417R417-P419 CarbonylContact O-C 3.56Å
420P67.9Low65.8Low94 Ų94126.8 Ų126.861%0.6167%0.673SS**PPolyproline II helixtrans-63.5152.8172.926.7-33.3000110.8L422P420-L422 PolarHBondContact O-N 3.46Å
421D68.9Low66.4Low108 Ų108126.8 Ų126.858%0.57867%0.674SS**PPolyproline II helixtrans-60.9135.5173.5-64.7-36.8000109.4R417 Q423R417-D421 IonicContact NH1-OD1 3.9Å; R417-D421 IonicContact NH1-OD2 3.51Å; D421-Q423 PolarHBondContact O-N 3.29Å; D421-Q423 VanDerWaalsContact O-N 3.14Å
422L73.9Confident67.2Low184 Ų184129.5 Ų129.596%0.96368%0.684SS**  trans-65115.3-179-70.1169.1000109.5P420P420-L422 PolarHBondContact O-N 3.46Å
423Q72Confident68.2Low156 Ų156121 Ų12173%0.72966%0.658SS**  trans-112.8137.7174-67.7-173.8-12.100110D421 V425D421-Q423 PolarHBondContact O-N 3.29Å; D421-Q423 VanDerWaalsContact O-N 3.14Å; Q423-V425 PolarHBondContact O-N 3.15Å; Q423-V425 VanDerWaalsContact O-N 3.14Å
424P72.5Confident69Low138 Ų138125.5 Ų125.590%0.89668%0.68SS**  trans-67113171.327.8-31.5000108.6
425V71.6Confident70.1Confident110 Ų110123 Ų12367%0.66768%0.678SS**  trans-108134.3174.8-178.40000108.3Q423 C427Q423-V425 PolarHBondContact O-N 3.15Å; Q423-V425 VanDerWaalsContact O-N 3.14Å; V425-C427 PolarHBondContact O-N 3.5Å
426A75.3Confident70.6Confident105 Ų105124.5 Ų124.587%0.86868%0.68SS**  trans-65.497.7169.200000108.8
427C69.5Low71Confident110 Ų110127.4 Ų127.474%0.74369%0.693SS**PPolyproline II helixtrans-68.2137.5171.7-61.90000108.7V425V425-C427 PolarHBondContact O-N 3.5Å
428K69.7Low71.7Confident195 Ų195128.2 Ų128.285%0.84871%0.711SS**PPolyproline II helixtrans-51135.7167.4-155.9169.5-173.1173.40107.5L430K428-L430 PolarHBondContact O-N 3.45Å
429P68.6Low72.4Confident113 Ų113125.9 Ų125.973%0.73470%0.704SS**PPolyproline II helixtrans-51.9136-178.720.6-32.6000109F431P429-F431 VanDerWaalsContact C-N 3.32Å; P429-F431 PolarHBondContact O-N 3.47Å
430L68.9Low72.9Confident144 Ų144131.8 Ų131.875%0.75471%0.712SS**  trans-62.396.2179.1-16968.5000107.8K428 F432K428-L430 PolarHBondContact O-N 3.45Å; L430-F432 HydrophobicContact CD2-CD2 3.95Å; L430-F432 HydrophobicContact CD2-CE2 3.33Å; L430-F432 HydrophobicContact CD2-CZ 4.04Å; L430-F432 HydrophobicContact CG-CD2 4.07Å; L430-F432 HydrophobicContact CG-CE2 3.94Å; L430-F432 PolarHBondContact O-N 3.2Å
431F68.5Low73.1Confident175 Ų175135.4 Ų135.477%0.76872%0.718SS**  trans-74.196.7175.8-176.4-100000107.5P429 D433P429-F431 VanDerWaalsContact C-N 3.32Å; P429-F431 PolarHBondContact O-N 3.47Å; F431-D433 HydrophobicContact CD1-CB 4.14Å; F431-D433 HydrophobicContact CE1-CB 3.76Å; F431-D433 PolarHBondContact O-N 3.13Å
432F67Low73.2Confident155 Ų155135.1 Ų135.168%0.6872%0.723SS**  trans-74.2101.9166.8-92.2-81.6000108.2L430 L434L430-F432 HydrophobicContact CD2-CD2 3.95Å; L430-F432 HydrophobicContact CD2-CE2 3.33Å; L430-F432 HydrophobicContact CD2-CZ 4.04Å; L430-F432 HydrophobicContact CG-CD2 4.07Å; L430-F432 HydrophobicContact CG-CE2 3.94Å; L430-F432 PolarHBondContact O-N 3.2Å; F432-L434 PolarHBondContact O-N 2.65Å
433D74.1Confident72.8Confident77 Ų77135.8 Ų135.841%0.41272%0.718SS.*  trans-73.793.2167-167.5-14.8000108.9F431 A435 F436F431-D433 HydrophobicContact CD1-CB 4.14Å; F431-D433 HydrophobicContact CE1-CB 3.76Å; F431-D433 PolarHBondContact O-N 3.13Å; D433-A435 PolarHBondContact O-N 3.43Å; D433-A435 WeakPolarHBondContact OD1-CA 3.37Å; D433-A435 VanDerWaalsContact OD1-CB 3.25Å; D433-A435 WeakPolarHBondContact OD1-CB 3.28Å; D433-A435 PolarHBondContact OD1-N 3.09Å; D433-F436 HydrophobicContact CB-CB 4.03Å; D433-F436 WeakPolarHBondContact O-CB 3.42Å; D433-F436 PolarHBondContact O-N 3.31Å; D433-F436 PolarHBondContact OD1-N 3.22Å
434L79Confident72.4Confident134 Ų134132.9 Ų132.970%0.70271%0.706SS**THydrogen-bonded Turntrans-59.5-29.5175.3-66.8174.6000111.6F432 F436 N437F432-L434 PolarHBondContact O-N 2.65Å; L434-F436 VanDerWaalsContact C-N 3.32Å; L434-N437 PolarHBondContact O-N 3.24Å
435A79.5Confident72Confident56 Ų56128.5 Ų128.546%0.46368%0.679SS.*THydrogen-bonded Turntrans-72.1-28.2-179.400000111.7D433 N437 C438 V439D433-A435 PolarHBondContact O-N 3.43Å; D433-A435 WeakPolarHBondContact OD1-CA 3.37Å; D433-A435 VanDerWaalsContact OD1-CB 3.25Å; D433-A435 WeakPolarHBondContact OD1-CB 3.28Å; D433-A435 PolarHBondContact OD1-N 3.09Å; A435-N437 PolarHBondContact O-N 2.93Å; A435-C438 CarbonylContact O-C 3.51Å; A435-C438 WeakPolarHBondContact O-CA 3.22Å; A435-C438 WeakPolarHBondContact O-CB 3.34Å; A435-C438 PolarHBondContact O-N 3.38Å; A435-V439 PolarHBondContact O-N 3.23Å; A435-V439 VanDerWaalsContact O-N 3.1Å
436F75.2Confident71.6Confident141 Ų141129.7 Ų129.762%0.61868%0.682SS**THydrogen-bonded Turntrans-58.1-34.4176.2-170.4-98000112.3D433 L434 C438 V439D433-F436 HydrophobicContact CB-CB 4.03Å; D433-F436 WeakPolarHBondContact O-CB 3.42Å; D433-F436 PolarHBondContact O-N 3.31Å; D433-F436 PolarHBondContact OD1-N 3.22Å; L434-F436 VanDerWaalsContact C-N 3.32Å; F436-C438 PolarHBondContact O-N 3.37Å; F436-V439 PolarHBondContact O-N 2.81Å
437N74.8Confident70.8Confident133 Ų133131.9 Ų131.971%0.71167%0.674SS**THydrogen-bonded Turntrans-67.4-22173.7-67.2-32.9000113.2L434 A435L434-N437 PolarHBondContact O-N 3.24Å; A435-N437 PolarHBondContact O-N 2.93Å
438C79.8Confident70.2Confident109 Ų109128.7 Ų128.774%0.73666%0.656SS**THydrogen-bonded Turntrans-93.5-16.1-179.6-58.80000112.9A435 F436 R440A435-C438 CarbonylContact O-C 3.51Å; A435-C438 WeakPolarHBondContact O-CA 3.22Å; A435-C438 WeakPolarHBondContact O-CB 3.34Å; A435-C438 PolarHBondContact O-N 3.38Å; F436-C438 PolarHBondContact O-N 3.37Å; C438-R440 PolarHBondContact O-N 2.83Å; C438-R440 VanDerWaalsContact O-N 3.15Å
439V78.9Confident69.6Low98 Ų98123.2 Ų123.259%0.59464%0.635SS**  trans-8195.5175-177.10000108.7A435 F436 F441A435-V439 PolarHBondContact O-N 3.23Å; A435-V439 VanDerWaalsContact O-N 3.1Å; F436-V439 PolarHBondContact O-N 2.81Å; V439-F441 PolarHBondContact O-N 3.29Å
440R74.7Confident69Low232 Ų232119.2 Ų119.288%0.87561%0.614SS**PPolyproline II helixtrans-71.9122161.8-89.6-177.2178.2170.20.1108.3C438C438-R440 PolarHBondContact O-N 2.83Å; C438-R440 VanDerWaalsContact O-N 3.15Å
441F73.7Confident68.4Low171 Ų171119 Ų11975%0.7561%0.61SS**PPolyproline II helixtrans-54.3127164.3-99.8-89.4000108.3V439 F443V439-F441 PolarHBondContact O-N 3.29Å; F441-F443 PolarHBondContact O-N 3.25Å
442P70.1Confident67.7Low102 Ų102113.2 Ų113.266%0.66259%0.593SS**PPolyproline II helixtrans-58.2133.9169.923.9-30.3000107.7I444P442-I444 PolarHBondContact O-N 3.45Å
443F65.1Low67Low197 Ų197110.1 Ų110.186%0.86458%0.584SS**  trans-64.2100.4176.6-173.3-95.4000107.9F441 S445F441-F443 PolarHBondContact O-N 3.25Å; F443-S445 PolarHBondContact O-N 3.05Å
444I65.1Low65.8Low95 Ų95116.1 Ų116.149%0.48760%0.601SS.*  trans-78.2105.5170.3-56.8175.6000104.5P442 A448 I449P442-I444 PolarHBondContact O-N 3.45Å; I444-A448 HydrophobicContact CG2-CB 3.63Å; I444-I449 HydrophobicContact CG2-CD1 4.39Å; I444-I449 HydrophobicContact CG2-CG1 3.68Å
445S63.3Low64.3Low46 Ų46116.7 Ų116.732%0.32261%0.605SS.*  trans-56.5143170.856.30000108.8F443 E447 A448F443-S445 PolarHBondContact O-N 3.05Å; S445-E447 PolarHBondContact O-N 2.97Å; S445-A448 WeakPolarHBondContact O-CB 3.44Å; S445-A448 PolarHBondContact O-N 3.21Å
446D63.5Low62.7Low136 Ų136120.8 Ų120.873%0.72761%0.612SS**Hα-helixtrans-54.6-20.2-180-71.3-36.7000112.6I449 G450D446-I449 PolarHBondContact O-N 3.2Å; D446-G450 PolarHBondContact O-N 2.93Å
447E58.7Low61.1Low151 Ų151121.1 Ų121.171%0.70662%0.62SS**Hα-helixtrans-64.5-37172.4-66.9165.7164.400113S445 G450 Q451S445-E447 PolarHBondContact O-N 2.97Å; E447-G450 PolarHBondContact O-N 3.43Å; E447-Q451 WeakPolarHBondContact O-CG 3.38Å; E447-Q451 PolarHBondContact O-N 2.89Å
448A57.5Low59.6Low43 Ų43122.3 Ų122.336%0.35563%0.627SS.*Hα-helixtrans-74.6-32.4175.300000112I444 S445 A452I444-A448 HydrophobicContact CG2-CB 3.63Å; S445-A448 WeakPolarHBondContact O-CB 3.44Å; S445-A448 PolarHBondContact O-N 3.21Å; A448-A452 PolarHBondContact O-N 2.91Å; A448-A452 VanDerWaalsContact O-N 3.1Å
449I56Low57.4Low79 Ų79125.6 Ų125.641%0.40563%0.631SS.*Hα-helixtrans-67.1-44.4171.2-55.8179.9000109.5I444 D446 Q451 A452 D453I444-I449 HydrophobicContact CG2-CD1 4.39Å; I444-I449 HydrophobicContact CG2-CG1 3.68Å; D446-I449 PolarHBondContact O-N 3.2Å; I449-Q451 VanDerWaalsContact C-N 3.34Å; I449-Q451 PolarHBondContact O-N 2.81Å; I449-A452 PolarHBondContact O-N 3.35Å; I449-D453 PolarHBondContact O-N 3.37Å
450G56.2Low55.1Low30 Ų30130.5 Ų130.531%0.30964%0.644SS.*Hα-helixtrans-64.1-33.4176.700000113.9D446 E447 R454D446-G450 PolarHBondContact O-N 2.93Å; E447-G450 PolarHBondContact O-N 3.43Å; G450-R454 VanDerWaalsContact O-CG 3.3Å; G450-R454 WeakPolarHBondContact O-CG 2.99Å; G450-R454 PolarHBondContact O-N 3.14Å; G450-R454 VanDerWaalsContact O-N 3.12Å
451Q55.5Low53.1Low140 Ų140126.3 Ų126.365%0.65464%0.644SS**Hα-helixtrans-73.2-36173.9-77.8179.67.600112.7E447 I449E447-Q451 WeakPolarHBondContact O-CG 3.38Å; E447-Q451 PolarHBondContact O-N 2.89Å; I449-Q451 VanDerWaalsContact C-N 3.34Å; I449-Q451 PolarHBondContact O-N 2.81Å
452A53.7Low51Low52 Ų52122 Ų12243%0.4365%0.648SS.*Hα-helixtrans-70-36.9175.100000112.2A448 I449 N455 K456A448-A452 PolarHBondContact O-N 2.91Å; A448-A452 VanDerWaalsContact O-N 3.1Å; I449-A452 PolarHBondContact O-N 3.35Å; A452-N455 PolarHBondContact O-N 3.18Å; A452-K456 PolarHBondContact O-N 3.23Å
453D52.9Low49.2Very low90 Ų90120.6 Ų120.648%0.48165%0.652SS.*Hα-helixtrans-73.2-32.6177.7-86.5-14.1000112.8I449 N455 K456 D457I449-D453 PolarHBondContact O-N 3.37Å; D453-N455 PolarHBondContact O-N 3.2Å; D453-K456 PolarHBondContact O-N 3.47Å; D453-D457 PolarHBondContact O-N 3.06Å
454R48Very low48Very low204 Ų204118.9 Ų118.977%0.7765%0.651SS**Hα-helixtrans-62.2-26.3171.6-76.4-179.6-164-164.86113.3G450 K456G450-R454 VanDerWaalsContact O-CG 3.3Å; G450-R454 WeakPolarHBondContact O-CG 2.99Å; G450-R454 PolarHBondContact O-N 3.14Å; G450-R454 VanDerWaalsContact O-N 3.12Å; R454-K456 VanDerWaalsContact C-N 3.35Å
455N47.6Very low46.6Very low145 Ų145117.1 Ų117.178%0.77566%0.657SS**THydrogen-bonded Turntrans-82.6-10.9172.9-84.3-9.4000113.4A452 D453A452-N455 PolarHBondContact O-N 3.18Å; D453-N455 PolarHBondContact O-N 3.2Å
456K46.1Very low45.3Very low143 Ų143122.6 Ų122.662%0.62268%0.682SS**THydrogen-bonded Turntrans-97.3-9.5-179-79.6-176.1178.7173.10115A452 D453 R454 N458 Q459A452-K456 PolarHBondContact O-N 3.23Å; D453-K456 PolarHBondContact O-N 3.47Å; R454-K456 VanDerWaalsContact C-N 3.35Å; K456-N458 PolarHBondContact O-N 3.07Å; K456-Q459 PolarHBondContact O-N 3Å
457D42.2Very low44.2Very low147 Ų147123 Ų12379%0.78668%0.683SS**THydrogen-bonded Turntrans-61.1-7.4173.2-81.7-25000113.6D453D453-D457 PolarHBondContact O-N 3.06Å
458N42.6Very low43.4Very low158 Ų158121.1 Ų121.185%0.84568%0.682SS**THydrogen-bonded Turntrans-97.87.5172.8-101.8-6.7000116.6K456K456-N458 PolarHBondContact O-N 3.07Å
459Q35Very low42.5Very low178 Ų178130.5 Ų130.583%0.83271%0.708SS**  trans-130.892.6170.5-89.6-178.6-12.800113.4K456 V461K456-Q459 PolarHBondContact O-N 3Å; Q459-V461 PolarHBondContact O-N 3.19Å
460K29.8Very low41.8Very low201 Ų201129.9 Ų129.987%0.87472%0.722SS**  trans-41.6130.5147-66.4172.9171.6173.70110
461V32.8Very low40.8Very low144 Ų144140.3 Ų140.387%0.87375%0.752SS**  173.7134.1121.8171.20000107.9Q459Q459-V461 PolarHBondContact O-N 3.19Å
462G30.6Very low40.4Very low80 Ų80140 Ų14083%0.82575%0.754SS**  trans-62.9146.6-166.900000116.7
463G32.2Very low39.5Very low73 Ų73148.6 Ų148.675%0.75378%0.775SS**  trans-141.4128.1165.500000109G465G463-G465 PolarHBondContact O-N 2.92Å
464L37.9Very low38.4Very low162 Ų162148.3 Ų148.385%0.84879%0.793SS**  trans-63.743-177.5-92.7116.7000114.8N466L464-N466 PolarHBondContact O-N 2.93Å
465G36Very low37.7Very low58 Ų58143.8 Ų143.860%0.59879%0.793SS**THydrogen-bonded Turntrans-75-16.8-178.700000115.3G463G463-G465 PolarHBondContact O-N 2.92Å
466N36.6Very low36.8Very low160 Ų160146.1 Ų146.186%0.85680%0.796SS**THydrogen-bonded Turntrans-93.5-2.2-171.7-75.5-12.3000115.3L464L464-N466 PolarHBondContact O-N 2.93Å
467L40.5Very low36.5Very low144 Ų144151.7 Ų151.775%0.75482%0.824SS**SBendtrans-90.4-10.4-178.9-131.4114.3000114.5
468V42.2Very low36.2Very low112 Ų112151.9 Ų151.968%0.67983%0.826SS**SBendtrans-95.6-14.2-175.3-177.60000113.5
469R38.4Very low35.9Very low240 Ų240151.6 Ų151.691%0.90683%0.825SS**SBendtrans-78.1-18.5176.9-90.9-173.3180173.21.3114.7
470G40.1Very low35.9Very low67 Ų67150.1 Ų150.169%0.69182%0.824SS**SBendtrans-86.8-15.8-17200000116.2
471W37.2Very low36.3Very low249 Ų249147.1 Ų147.194%0.94382%0.821SS**SBendtrans-109.2-0.1-161.9-138.222.4000116.7
472I45.6Very low36.5Very low134 Ų134147.3 Ų147.369%0.68782%0.818SS**SBendtrans-108.5-1.4-176.1-68.4177.1000114.4
473W34.4Very low36.9Very low232 Ų232151.8 Ų151.888%0.87982%0.818SS**  trans-124.198.6176.1-68.180.9000111.8S475W473-S475 PolarHBondContact O-N 3.08Å
474G30.2Very low37.2Very low84 Ų84157.4 Ų157.487%0.86682%0.822SS**  trans-61121.7168.800000111
475S33.6Very low37.2Very low109 Ų109157.1 Ų157.176%0.76282%0.82SS**  trans-93.8115.4165.6-168.80000108.9W473W473-S475 PolarHBondContact O-N 3.08Å
476K29.4Very low37.3Very low194 Ų194165.3 Ų165.384%0.84384%0.839SS**  trans-54.3138.2161.2-69.7171.8171.8175.60109.7
477H38.9Very low37.3Very low259 Ų259165.8 Ų165.8100%1.19984%0.837SS**  trans-141.40140.1-91.8-61.7000108.5

Retrieved 477 of 477 residues in 294.6 ms (Link to these results)

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