A0A077ZB03_TRITR Loading...

Piezo TM1-24 domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZB03, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 510 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
1M51Low79.5Confident181 Ų18177.1 Ų77.189%0.89236%0.36SS*.  0132.70-85.7172.8170.300108.1E5M1-E5 HydrophobicContact CB-CB 4.27Å; M1-E5 HydrophobicContact CG-CB 4.41Å
2Q69.5Low80.4Confident70 Ų7070.8 Ų70.833%0.32733%0.331SS..  trans-59.2146.6169.5-78.5167.8-48.200108.9F4 E5 F6 S137Q2-F4 PolarHBondContact O-N 3.42Å; Q2-F4 VanDerWaalsContact O-N 3.07Å; Q2-E5 HydrophobicContact CB-CG 4.18Å; Q2-E5 WeakPolarHBondContact O-CB 3.4Å; Q2-E5 PolarHBondContact O-N 3.49Å; Q2-F6 PolarHBondContact O-N 3.21Å; Q2-S137 PolarHBondContact NE2-OG 2.88Å
3R80.7Confident81.2Confident199 Ų19966.2 Ų66.275%0.75131%0.311SS*.Hα-helixtrans-51.9-34.4-178.3-67.6-180179173.9-0.9112.5C7 L133R3-C7 PolarHBondContact O-N 3.19Å; R3-L133 HydrophobicContact CB-CD2 4.23Å
4F82.2Confident82Confident22 Ų2267.1 Ų67.110%0.09632%0.323CS..Hα-helixtrans-62.1-47.8174.2175.7-105.1000112.9Q2 F6 C7 Y8 T53 S130 A134Q2-F4 PolarHBondContact O-N 3.42Å; Q2-F4 VanDerWaalsContact O-N 3.07Å; F4-F6 VanDerWaalsContact C-N 3.29Å; F4-F6 PolarHBondContact O-N 3.22Å; F4-C7 PolarHBondContact O-N 2.84Å; F4-Y8 WeakPolarHBondContact O-CB 3.36Å; F4-Y8 PolarHBondContact O-N 3.29Å; F4-T53 HydrophobicContact CE1-CG2 4.38Å; F4-T53 HydrophobicContact CZ-CG2 4.31Å; F4-S130 WeakPolarHBondContact CD2-O 3.39Å; F4-A134 HydrophobicContact CD2-CB 3.64Å; F4-A134 HydrophobicContact CE2-CB 3.74Å; F4-A134 HydrophobicContact CG-CB 4.25Å; F4-A134 HydrophobicContact CZ-CB 4.42Å
5E78.9Confident82.7Confident44 Ų4463.5 Ų63.521%0.20631%0.309CS..Hα-helixtrans-58.7-41.5-179.9-64.8-65.5145.200111.4M1 Q2 A9 C45M1-E5 HydrophobicContact CB-CB 4.27Å; M1-E5 HydrophobicContact CG-CB 4.41Å; Q2-E5 HydrophobicContact CB-CG 4.18Å; Q2-E5 WeakPolarHBondContact O-CB 3.4Å; Q2-E5 PolarHBondContact O-N 3.49Å; E5-A9 WeakPolarHBondContact O-CA 3.3Å; E5-A9 WeakPolarHBondContact O-CB 3.49Å; E5-A9 PolarHBondContact O-N 3.18Å; E5-C45 WeakPolarHBondContact OE1-CB 3.46Å; E5-C45 PolarHBondContact OE1-SG 3.37Å; E5-C45 PolarHBondContact OE2-SG 2.86Å
6F81.9Confident83.4Confident115 Ų11559.6 Ų59.650%0.50429%0.289SS..Hα-helixtrans-66.2-44.9177.4179.8-95.7000112.3Q2 F4 A9 F10 V11Q2-F6 PolarHBondContact O-N 3.21Å; F4-F6 VanDerWaalsContact C-N 3.29Å; F4-F6 PolarHBondContact O-N 3.22Å; F6-A9 PolarHBondContact O-N 2.97Å; F6-F10 AromaticContact CD2-CD2 3.56Å; F6-F10 HydrophobicContact CD2-CD2 3.56Å; F6-F10 AromaticContact CD2-CE2 3.96Å; F6-F10 HydrophobicContact CD2-CE2 3.96Å; F6-F10 AromaticContact CE2-CD2 3.67Å; F6-F10 HydrophobicContact CE2-CD2 3.67Å; F6-F10 HydrophobicContact CE2-CE2 4.17Å; F6-F10 HydrophobicContact CE2-CG 4.33Å; F6-F10 HydrophobicContact CG-CD2 4.29Å; F6-F10 HydrophobicContact CZ-CD2 4.48Å; F6-F10 PolarHBondContact O-N 3.31Å; F6-V11 HydrophobicContact CE1-CG2 4.2Å
7C85.7Confident84Confident13 Ų1359.1 Ų59.19%0.08829%0.288CS..Iπ-helixtrans-62.9-45.4179.2-1690000111.1R3 F4 V11 F12 S130 L133R3-C7 PolarHBondContact O-N 3.19Å; F4-C7 PolarHBondContact O-N 2.84Å; C7-V11 WeakPolarHBondContact O-CB 3.41Å; C7-V11 PolarHBondContact O-N 3.39Å; C7-V11 VanDerWaalsContact O-N 3.12Å; C7-F12 WeakPolarHBondContact O-CB 3.44Å; C7-F12 PolarHBondContact O-N 2.96Å; C7-S130 PolarHBondContact SG-OG 3.22Å; C7-S130 VanDerWaalsContact SG-OG 3.33Å; C7-L133 HydrophobicContact CB-CD1 4Å
8Y86Confident84.4Confident5 Ų560.4 Ų60.42%0.0230%0.296CS..Iπ-helixtrans-68-38176.6-177.7-102.1000112.8F4 F12 P13 W38 A42 T53 F56 V57F4-Y8 WeakPolarHBondContact O-CB 3.36Å; F4-Y8 PolarHBondContact O-N 3.29Å; Y8-F12 HydrophobicContact CD2-CD1 4.49Å; Y8-F12 HydrophobicContact CE2-CD1 4.48Å; Y8-P13 WeakPolarHBondContact O-CD 3.2Å; Y8-W38 AromaticContact CD1-NE1 3.91Å; Y8-W38 AromaticContact CE1-NE1 3.56Å; Y8-W38 AromaticContact CE2-CD1 3.64Å; Y8-W38 AromaticContact CE2-NE1 3.77Å; Y8-W38 AromaticContact CZ-CD1 3.46Å; Y8-W38 VanDerWaalsContact CZ-CD1 3.46Å; Y8-W38 AromaticContact CZ-NE1 3.48Å; Y8-W38 PolarHBondContact O-NE1 3.05Å; Y8-W38 PolarHBondContact OH-O 2.73Å; Y8-W38 VanDerWaalsContact OH-O 3.07Å; Y8-A42 HydrophobicContact CE1-CB 3.86Å; Y8-A42 PolarHBondContact OH-N 2.95Å; Y8-T53 HydrophobicContact CD1-CG2 3.89Å; Y8-T53 HydrophobicContact CD2-CG2 3.98Å; Y8-T53 HydrophobicContact CE1-CG2 3.49Å; Y8-T53 VanDerWaalsContact CE1-CG2 3.49Å; Y8-T53 HydrophobicContact CE2-CG2 3.59Å; Y8-T53 HydrophobicContact CG-CG2 4.11Å; Y8-F56 HydrophobicContact CE2-CD1 4.15Å; Y8-F56 HydrophobicContact CE2-CE1 4.46Å; Y8-V57 HydrophobicContact CD2-CG2 3.66Å; Y8-V57 HydrophobicContact CE2-CG2 3.75Å
9A82.6Confident84.8Confident28 Ų2857.3 Ų57.323%0.23128%0.281CS..Iπ-helixtrans-73.7-34.7-175.600000113.6E5 F6 P13 W38E5-A9 WeakPolarHBondContact O-CA 3.3Å; E5-A9 WeakPolarHBondContact O-CB 3.49Å; E5-A9 PolarHBondContact O-N 3.18Å; F6-A9 PolarHBondContact O-N 2.97Å; A9-P13 WeakPolarHBondContact O-CG 3.24Å; A9-W38 WeakPolarHBondContact O-CH2 3.11Å; A9-W38 VanDerWaalsContact O-CZ2 3.22Å; A9-W38 WeakPolarHBondContact O-CZ2 3.44Å
10F85.1Confident85.1Confident113 Ų11354.9 Ų54.950%0.49627%0.27SS..Iπ-helixtrans-124.5-50.8-169.4-62.6-77000113.4F6 P13 V14F6-F10 AromaticContact CD2-CD2 3.56Å; F6-F10 HydrophobicContact CD2-CD2 3.56Å; F6-F10 AromaticContact CD2-CE2 3.96Å; F6-F10 HydrophobicContact CD2-CE2 3.96Å; F6-F10 AromaticContact CE2-CD2 3.67Å; F6-F10 HydrophobicContact CE2-CD2 3.67Å; F6-F10 HydrophobicContact CE2-CE2 4.17Å; F6-F10 HydrophobicContact CE2-CG 4.33Å; F6-F10 HydrophobicContact CG-CD2 4.29Å; F6-F10 HydrophobicContact CZ-CD2 4.48Å; F6-F10 PolarHBondContact O-N 3.31Å; F10-P13 WeakPolarHBondContact O-CG 3.41Å; F10-V14 WeakPolarHBondContact O-CB 3.48Å; F10-V14 WeakPolarHBondContact O-CG2 3.47Å; F10-V14 PolarHBondContact O-N 3.16Å
11V90.5Very high85.2Confident58 Ų5857.9 Ų57.935%0.35229%0.286SS..Iπ-helixtrans-72-43.8-172.6-175.80000110.7F6 C7 V14 A15 V126F6-V11 HydrophobicContact CE1-CG2 4.2Å; C7-V11 WeakPolarHBondContact O-CB 3.41Å; C7-V11 PolarHBondContact O-N 3.39Å; C7-V11 VanDerWaalsContact O-N 3.12Å; V11-V14 PolarHBondContact O-N 3.14Å; V11-A15 WeakPolarHBondContact O-CB 3.41Å; V11-A15 PolarHBondContact O-N 3.21Å; V11-V126 HydrophobicContact CG1-CG1 3.94Å; V11-V126 HydrophobicContact CG1-CG2 4.16Å
12F90.2Very high86.8Confident2 Ų251.9 Ų51.91%0.00926%0.258CS..Hα-helixtrans-61.1-53.4-178.4-168.7-96.3000113.8C7 Y8 V14 A15 L16 W38 F56 V57 C60 V126C7-F12 WeakPolarHBondContact O-CB 3.44Å; C7-F12 PolarHBondContact O-N 2.96Å; Y8-F12 HydrophobicContact CD2-CD1 4.49Å; Y8-F12 HydrophobicContact CE2-CD1 4.48Å; F12-V14 VanDerWaalsContact C-N 3.32Å; F12-V14 PolarHBondContact O-N 2.97Å; F12-A15 PolarHBondContact O-N 3.12Å; F12-L16 HydrophobicContact CD1-CD1 3.84Å; F12-L16 HydrophobicContact CD1-CG 4.47Å; F12-L16 HydrophobicContact CE1-CD1 3.35Å; F12-L16 HydrophobicContact CE1-CG 4.15Å; F12-L16 HydrophobicContact CZ-CD1 3.95Å; F12-L16 HydrophobicContact CZ-CG 4.41Å; F12-L16 PolarHBondContact O-N 3.31Å; F12-W38 AromaticContact CD1-CD1 3.8Å; F12-F56 AromaticContact CE1-CE1 3.75Å; F12-F56 HydrophobicContact CE1-CE1 3.75Å; F12-F56 HydrophobicContact CE1-CZ 4.49Å; F12-F56 HydrophobicContact CZ-CE1 4.35Å; F12-V57 HydrophobicContact CE2-CG1 4.49Å; F12-C60 HydrophobicContact CE2-CB 4.35Å; F12-C60 HydrophobicContact CZ-CB 3.8Å; F12-V126 HydrophobicContact CB-CG1 4.41Å; F12-V126 HydrophobicContact CD2-CG1 4.07Å
13P91.2Very high87.5Confident11 Ų1149 Ų497%0.07124%0.244CC..Hα-helixtrans-64.5-34.3177.825.4-35.9000112.9Y8 A9 F10 L16 L17 L35 W38Y8-P13 WeakPolarHBondContact O-CD 3.2Å; A9-P13 WeakPolarHBondContact O-CG 3.24Å; F10-P13 WeakPolarHBondContact O-CG 3.41Å; P13-L16 PolarHBondContact O-N 3.37Å; P13-L17 WeakPolarHBondContact O-CB 3.4Å; P13-L17 PolarHBondContact O-N 3.5Å; P13-L35 HydrophobicContact CB-CD1 3.74Å; P13-L35 WeakPolarHBondContact O-CD1 3.24Å; P13-W38 HydrophobicContact CB-CD2 3.98Å; P13-W38 HydrophobicContact CB-CE3 4.04Å; P13-W38 HydrophobicContact CB-CH2 4.33Å; P13-W38 HydrophobicContact CB-CZ2 4.24Å; P13-W38 HydrophobicContact CB-CZ3 4.23Å; P13-W38 HydrophobicContact CG-CD2 4.3Å; P13-W38 HydrophobicContact CG-CE3 4.5Å; P13-W38 HydrophobicContact CG-CH2 3.95Å; P13-W38 HydrophobicContact CG-CZ2 3.69Å; P13-W38 HydrophobicContact CG-CZ3 4.35Å
14V92Very high87.5Confident79 Ų7941.7 Ų41.748%0.47922%0.222SC..Hα-helixtrans-64.7-42.8175.6171.50000111.1F10 V11 F12 L17 I18F10-V14 WeakPolarHBondContact O-CB 3.48Å; F10-V14 WeakPolarHBondContact O-CG2 3.47Å; F10-V14 PolarHBondContact O-N 3.16Å; V11-V14 PolarHBondContact O-N 3.14Å; F12-V14 VanDerWaalsContact C-N 3.32Å; F12-V14 PolarHBondContact O-N 2.97Å; V14-L17 PolarHBondContact O-N 3.09Å; V14-I18 HydrophobicContact CG1-CD1 3.78Å; V14-I18 HydrophobicContact CG1-CG1 4.45Å; V14-I18 VanDerWaalsContact O-CG1 3.31Å; V14-I18 WeakPolarHBondContact O-CG1 3.45Å; V14-I18 PolarHBondContact O-N 3.47Å
15A93Very high87.7Confident13 Ų1340.8 Ų40.811%0.10722%0.218CC..Hα-helixtrans-62-44176.200000112V11 F12 A19 V126V11-A15 WeakPolarHBondContact O-CB 3.41Å; V11-A15 PolarHBondContact O-N 3.21Å; F12-A15 PolarHBondContact O-N 3.12Å; A15-A19 VanDerWaalsContact O-CB 3.28Å; A15-A19 WeakPolarHBondContact O-CB 3.35Å; A15-A19 PolarHBondContact O-N 3.39Å; A15-V126 HydrophobicContact CB-CB 4.17Å; A15-V126 HydrophobicContact CB-CG1 4.11Å; A15-V126 HydrophobicContact CB-CG2 3.97Å
16L93.8Very high88.1Confident0 Ų041.7 Ų41.70%022%0.224CC..Hα-helixtrans-64.5-39.7175.8-70.8177.4000112.5F12 P13 A19 S20 Y31 F34 L35 V123F12-L16 HydrophobicContact CD1-CD1 3.84Å; F12-L16 HydrophobicContact CD1-CG 4.47Å; F12-L16 HydrophobicContact CE1-CD1 3.35Å; F12-L16 HydrophobicContact CE1-CG 4.15Å; F12-L16 HydrophobicContact CZ-CD1 3.95Å; F12-L16 HydrophobicContact CZ-CG 4.41Å; F12-L16 PolarHBondContact O-N 3.31Å; P13-L16 PolarHBondContact O-N 3.37Å; L16-A19 PolarHBondContact O-N 3.21Å; L16-S20 WeakPolarHBondContact O-CB 3.44Å; L16-S20 PolarHBondContact O-N 3.42Å; L16-S20 PolarHBondContact O-OG 3.27Å; L16-Y31 HydrophobicContact CD2-CD1 3.93Å; L16-Y31 HydrophobicContact CD2-CG 4.35Å; L16-F34 HydrophobicContact CD1-CB 3.95Å; L16-F34 HydrophobicContact CD2-CB 4.28Å; L16-L35 HydrophobicContact CB-CB 4.05Å; L16-L35 HydrophobicContact CB-CD1 4.25Å; L16-L35 HydrophobicContact CD1-CB 4.41Å; L16-V123 HydrophobicContact CD2-CG1 3.96Å; L16-V123 HydrophobicContact CD2-CG2 4.25Å
17L93.1Very high88.5Confident51 Ų5137.3 Ų37.327%0.26721%0.206SC..Hα-helixtrans-61.9-51.6176.6179.363000111P13 V14 A19 S20 L21 L35 F309P13-L17 WeakPolarHBondContact O-CB 3.4Å; P13-L17 PolarHBondContact O-N 3.5Å; V14-L17 PolarHBondContact O-N 3.09Å; L17-A19 VanDerWaalsContact C-N 3.3Å; L17-A19 PolarHBondContact O-N 3.08Å; L17-S20 PolarHBondContact O-N 3.41Å; L17-S20 PolarHBondContact O-OG 2.87Å; L17-L21 HydrophobicContact CD1-CD1 3.78Å; L17-L21 HydrophobicContact CD1-CG 4.16Å; L17-L21 HydrophobicContact CG-CD1 4.06Å; L17-L21 WeakPolarHBondContact O-CG 3.43Å; L17-L21 PolarHBondContact O-N 3.25Å; L17-L35 HydrophobicContact CB-CD2 3.84Å; L17-L35 HydrophobicContact CD1-CD2 3.79Å; L17-L35 HydrophobicContact CG-CD2 4.42Å; L17-F309 HydrophobicContact CD1-CE1 4.05Å; L17-F309 HydrophobicContact CD1-CE2 4.25Å; L17-F309 HydrophobicContact CD1-CZ 3.78Å; L17-F309 HydrophobicContact CD2-CE1 4.08Å; L17-F309 HydrophobicContact CD2-CZ 4.23Å
18I91.4Very high88.7Confident84 Ų8436.8 Ų36.843%0.43120%0.202SC..Hα-helixtrans-58.6-45.3177.8-67.6168.7000110.2V14 S20 L21 L22V14-I18 HydrophobicContact CG1-CD1 3.78Å; V14-I18 HydrophobicContact CG1-CG1 4.45Å; V14-I18 VanDerWaalsContact O-CG1 3.31Å; V14-I18 WeakPolarHBondContact O-CG1 3.45Å; V14-I18 PolarHBondContact O-N 3.47Å; I18-S20 VanDerWaalsContact C-N 3.33Å; I18-S20 PolarHBondContact O-N 3.01Å; I18-L21 PolarHBondContact O-N 3.17Å; I18-L22 HydrophobicContact CG2-CD1 3.43Å; I18-L22 VanDerWaalsContact CG2-CD1 3.43Å; I18-L22 HydrophobicContact CG2-CG 3.97Å; I18-L22 WeakPolarHBondContact O-CB 3.39Å; I18-L22 VanDerWaalsContact O-CG 3.28Å; I18-L22 WeakPolarHBondContact O-CG 2.97Å; I18-L22 PolarHBondContact O-N 3.46Å
19A92.2Very high89Confident1 Ų137.4 Ų37.41%0.00821%0.206CC..Hα-helixtrans-63.6-38.4179.800000112.9A15 L16 L17 S28 Y31 P119 V123A15-A19 VanDerWaalsContact O-CB 3.28Å; A15-A19 WeakPolarHBondContact O-CB 3.35Å; A15-A19 PolarHBondContact O-N 3.39Å; L16-A19 PolarHBondContact O-N 3.21Å; L17-A19 VanDerWaalsContact C-N 3.3Å; L17-A19 PolarHBondContact O-N 3.08Å; A19-S28 PolarHBondContact O-OG 3.45Å; A19-Y31 HydrophobicContact CB-CD2 3.76Å; A19-Y31 HydrophobicContact CB-CE2 4.36Å; A19-Y31 HydrophobicContact CB-CG 4.17Å; A19-P119 HydrophobicContact CB-CB 3.84Å; A19-V123 HydrophobicContact CB-CG2 3.47Å; A19-V123 VanDerWaalsContact CB-CG2 3.47Å
20S91.5Very high89.6Confident9 Ų938.7 Ų38.76%0.06321%0.209CC..Hα-helixtrans-66.8-36.9176.4720000112.9L16 L17 I18 Y254L16-S20 WeakPolarHBondContact O-CB 3.44Å; L16-S20 PolarHBondContact O-N 3.42Å; L16-S20 PolarHBondContact O-OG 3.27Å; L17-S20 PolarHBondContact O-N 3.41Å; L17-S20 PolarHBondContact O-OG 2.87Å; I18-S20 VanDerWaalsContact C-N 3.33Å; I18-S20 PolarHBondContact O-N 3.01Å; S20-Y254 WeakPolarHBondContact O-CE2 3.25Å
21L87.8Confident90Very high118 Ų11833.3 Ų33.362%0.61819%0.185SC*.Hα-helixtrans-87.6-30.9-172.4-66.7178000114.3L17 I18 R23L17-L21 HydrophobicContact CD1-CD1 3.78Å; L17-L21 HydrophobicContact CD1-CG 4.16Å; L17-L21 HydrophobicContact CG-CD1 4.06Å; L17-L21 WeakPolarHBondContact O-CG 3.43Å; L17-L21 PolarHBondContact O-N 3.25Å; I18-L21 PolarHBondContact O-N 3.17Å; L21-R23 VanDerWaalsContact C-N 3.27Å; L21-R23 PolarHBondContact O-N 3.4Å
22L84.4Confident90.1Very high55 Ų5531.1 Ų31.129%0.28818%0.175SC..Hα-helixtrans-66.8-27.7-173.5-78.9175.5000113.6I18 R115 L118 P119I18-L22 HydrophobicContact CG2-CD1 3.43Å; I18-L22 VanDerWaalsContact CG2-CD1 3.43Å; I18-L22 HydrophobicContact CG2-CG 3.97Å; I18-L22 WeakPolarHBondContact O-CB 3.39Å; I18-L22 VanDerWaalsContact O-CG 3.28Å; I18-L22 WeakPolarHBondContact O-CG 2.97Å; I18-L22 PolarHBondContact O-N 3.46Å; L22-R115 HydrophobicContact CB-CG 4.37Å; L22-R115 HydrophobicContact CD2-CG 4.48Å; L22-R115 WeakPolarHBondContact O-CD 3.41Å; L22-R115 WeakPolarHBondContact O-CG 3.34Å; L22-L118 HydrophobicContact CD1-CD2 4.49Å; L22-P119 HydrophobicContact CB-CG 3.84Å; L22-P119 HydrophobicContact CD1-CG 3.9Å
23R83.2Confident90.3Very high10 Ų1033.6 Ų33.64%0.03819%0.187CC..SBendtrans-142.1109.9-175.3-177-170-171.715315.4110.9L21 C25 S28 G101 F116 Y254L21-R23 VanDerWaalsContact C-N 3.27Å; L21-R23 PolarHBondContact O-N 3.4Å; R23-C25 VanDerWaalsContact CD-SG 3.59Å; R23-C25 HydrophobicContact CG-CB 4.41Å; R23-C25 PolarHBondContact O-N 3.43Å; R23-S28 WeakPolarHBondContact O-CB 3.47Å; R23-S28 PolarHBondContact O-OG 2.69Å; R23-G101 VanDerWaalsContact CZ-CA 3.47Å; R23-G101 PolarHBondContact NH1-O 3.07Å; R23-G101 VanDerWaalsContact NH2-CA 3.32Å; R23-G101 PolarHBondContact NH2-O 3.42Å; R23-F116 HydrophobicContact CG-CD1 3.97Å; R23-F116 HydrophobicContact CG-CE1 4.03Å; R23-F116 VanDerWaalsContact NE-CD1 3.33Å; R23-Y254 PolarHBondContact O-OH 3.21Å
24P79.9Confident90.4Very high45 Ų4534 Ų3429%0.29219%0.188SC..  trans-74.789.8174.630.8-34.2000110.9Y254 Q257 I281P24-Y254 WeakPolarHBondContact CA-OH 3.43Å; P24-Q257 HydrophobicContact CB-CB 4.48Å; P24-I281 HydrophobicContact CG-CD1 4.1Å
25C86.5Confident90.5Very high3 Ų330.5 Ų30.52%0.0217%0.167CC..SBendtrans-143174.517067.70000111.1R23 L27 S28 L29 Y254R23-C25 VanDerWaalsContact CD-SG 3.59Å; R23-C25 HydrophobicContact CG-CB 4.41Å; R23-C25 PolarHBondContact O-N 3.43Å; C25-L27 VanDerWaalsContact C-N 3.34Å; C25-L27 PolarHBondContact O-N 3.16Å; C25-S28 PolarHBondContact O-N 2.84Å; C25-S28 PolarHBondContact SG-N 2.94Å; C25-S28 PolarHBondContact SG-OG 3.12Å; C25-L29 PolarHBondContact O-N 3.39Å; C25-Y254 PolarHBondContact N-OH 2.87Å; C25-Y254 VanDerWaalsContact N-OH 3.14Å; C25-Y254 WeakPolarHBondContact O-CE1 3.37Å; C25-Y254 PolarHBondContact O-OH 3.36Å
26L88.5Confident90.5Very high62 Ų6230.7 Ų30.733%0.32517%0.166SC..Hα-helixtrans-66.3-32.5177.4-69.5179000113.4L29 L30 L99 L255 L258L26-L29 HydrophobicContact CD2-CD2 4.02Å; L26-L29 WeakPolarHBondContact O-CB 3.3Å; L26-L29 PolarHBondContact O-N 3.05Å; L26-L30 PolarHBondContact O-N 3.21Å; L26-L99 WeakPolarHBondContact CB-O 3.45Å; L26-L99 HydrophobicContact CD1-CD1 4.44Å; L26-L99 HydrophobicContact CD1-CD2 3.76Å; L26-L99 HydrophobicContact CD1-CG 3.6Å; L26-L99 HydrophobicContact CG-CD1 4.26Å; L26-L99 HydrophobicContact CG-CD2 4.46Å; L26-L99 HydrophobicContact CG-CG 3.86Å; L26-L99 WeakPolarHBondContact CG-O 3.37Å; L26-L99 PolarHBondContact N-O 2.73Å; L26-L255 HydrophobicContact CD2-CD2 4.36Å; L26-L258 HydrophobicContact CD2-CD1 4.04Å
27L89Confident90.3Very high23 Ų2334 Ų3412%0.1218%0.183CC..Hα-helixtrans-61.3-49.7174.9-75.3169.1000110.9C25 L29 L30 Y31 Y63 A67 L100C25-L27 VanDerWaalsContact C-N 3.34Å; C25-L27 PolarHBondContact O-N 3.16Å; L27-L29 VanDerWaalsContact C-N 3.3Å; L27-L29 PolarHBondContact O-N 3.05Å; L27-L30 PolarHBondContact O-N 2.99Å; L27-L30 VanDerWaalsContact O-N 3.13Å; L27-Y31 PolarHBondContact O-N 3.35Å; L27-Y63 VanDerWaalsContact CA-OH 3.22Å; L27-Y63 WeakPolarHBondContact CA-OH 3.19Å; L27-Y63 HydrophobicContact CD2-CE2 4.33Å; L27-Y63 WeakPolarHBondContact CD2-OH 3.29Å; L27-Y63 PolarHBondContact O-OH 3.41Å; L27-Y63 VanDerWaalsContact O-OH 3.04Å; L27-A67 HydrophobicContact CD2-CB 4.25Å; L27-L100 VanDerWaalsContact CD1-O 3.23Å; L27-L100 WeakPolarHBondContact CD1-O 3.39Å; L27-L100 WeakPolarHBondContact CG-O 3.35Å; L27-L100 PolarHBondContact N-O 3.38Å
28S91.1Very high90.1Very high2 Ų233 Ų331%0.01418%0.175CC..Hα-helixtrans-66.7-29.9177-61.80000113.5A19 R23 C25 L30 Y31 G32 Y254A19-S28 PolarHBondContact O-OG 3.45Å; R23-S28 WeakPolarHBondContact O-CB 3.47Å; R23-S28 PolarHBondContact O-OG 2.69Å; C25-S28 PolarHBondContact O-N 2.84Å; C25-S28 PolarHBondContact SG-N 2.94Å; C25-S28 PolarHBondContact SG-OG 3.12Å; S28-L30 VanDerWaalsContact C-N 3.25Å; S28-L30 PolarHBondContact O-N 3.39Å; S28-Y31 WeakPolarHBondContact O-CB 3.41Å; S28-Y31 PolarHBondContact O-N 3.07Å; S28-G32 PolarHBondContact O-N 2.99Å; S28-Y254 WeakPolarHBondContact CB-OH 3.45Å
29L92.6Very high89.7Confident19 Ų1929.4 Ų29.410%0.09916%0.158CC..Hα-helixtrans-58.9-40.7172.1177.964000110.7C25 L26 L27 Y31 G32 I33 V251 Y254 L255C25-L29 PolarHBondContact O-N 3.39Å; L26-L29 HydrophobicContact CD2-CD2 4.02Å; L26-L29 WeakPolarHBondContact O-CB 3.3Å; L26-L29 PolarHBondContact O-N 3.05Å; L27-L29 VanDerWaalsContact C-N 3.3Å; L27-L29 PolarHBondContact O-N 3.05Å; L29-Y31 VanDerWaalsContact C-N 3.34Å; L29-Y31 PolarHBondContact O-N 3.35Å; L29-G32 CarbonylContact O-C 3.57Å; L29-G32 WeakPolarHBondContact O-CA 3.37Å; L29-G32 PolarHBondContact O-N 3.38Å; L29-G32 VanDerWaalsContact O-N 3.09Å; L29-I33 HydrophobicContact CG-CD1 4.18Å; L29-I33 WeakPolarHBondContact O-CG1 3.29Å; L29-I33 PolarHBondContact O-N 3.09Å; L29-V251 HydrophobicContact CD1-CG1 4.13Å; L29-Y254 HydrophobicContact CB-CD1 3.96Å; L29-Y254 HydrophobicContact CB-CE1 3.53Å; L29-Y254 HydrophobicContact CD1-CD1 3.37Å; L29-Y254 HydrophobicContact CD1-CE1 3.9Å; L29-Y254 HydrophobicContact CD1-CG 3.82Å; L29-Y254 HydrophobicContact CG-CD1 4.12Å; L29-Y254 HydrophobicContact CG-CE1 4.22Å; L29-Y254 PolarHBondContact N-OH 3.2Å; L29-L255 HydrophobicContact CD2-CD2 3.56Å; L29-L255 HydrophobicContact CD2-CG 4.15Å
30L93.8Very high89.1Confident54 Ų5433.1 Ų33.128%0.28318%0.18SC..Hα-helixtrans-67.4-35.3179.2-160.371.9000111.9L26 L27 S28 G32 I33 F34 Y63L26-L30 PolarHBondContact O-N 3.21Å; L27-L30 PolarHBondContact O-N 2.99Å; L27-L30 VanDerWaalsContact O-N 3.13Å; S28-L30 VanDerWaalsContact C-N 3.25Å; S28-L30 PolarHBondContact O-N 3.39Å; L30-G32 VanDerWaalsContact C-N 3.29Å; L30-G32 PolarHBondContact O-N 2.92Å; L30-I33 HydrophobicContact CD1-CB 4.49Å; L30-I33 HydrophobicContact CD1-CD1 4.15Å; L30-I33 PolarHBondContact O-N 2.98Å; L30-F34 HydrophobicContact CD2-CE1 4.46Å; L30-F34 HydrophobicContact CD2-CE2 3.98Å; L30-F34 HydrophobicContact CD2-CZ 3.67Å; L30-F34 HydrophobicContact CG-CE1 4.26Å; L30-F34 HydrophobicContact CG-CE2 4Å; L30-F34 HydrophobicContact CG-CZ 3.82Å; L30-F34 WeakPolarHBondContact O-CD2 3.28Å; L30-F34 WeakPolarHBondContact O-CG 3.27Å; L30-F34 PolarHBondContact O-N 3.23Å; L30-Y63 HydrophobicContact CB-CE1 4Å; L30-Y63 HydrophobicContact CB-CE2 4.45Å; L30-Y63 WeakPolarHBondContact CB-OH 3.37Å; L30-Y63 HydrophobicContact CD2-CD1 4.04Å; L30-Y63 HydrophobicContact CD2-CD2 3.45Å; L30-Y63 VanDerWaalsContact CD2-CD2 3.45Å; L30-Y63 HydrophobicContact CD2-CE1 3.75Å; L30-Y63 HydrophobicContact CD2-CE2 3.14Å; L30-Y63 HydrophobicContact CD2-CG 3.86Å; L30-Y63 HydrophobicContact CG-CE1 4.3Å; L30-Y63 HydrophobicContact CG-CE2 4.36Å
31Y94.1Very high88.7Confident0 Ų036.1 Ų36.10%019%0.192CC..Hα-helixtrans-60.9-39.4169.1-63.3-47.2000111.9L16 A19 L27 S28 L29 F34 L35 Y63 A67 D120 V123L16-Y31 HydrophobicContact CD2-CD1 3.93Å; L16-Y31 HydrophobicContact CD2-CG 4.35Å; A19-Y31 HydrophobicContact CB-CD2 3.76Å; A19-Y31 HydrophobicContact CB-CE2 4.36Å; A19-Y31 HydrophobicContact CB-CG 4.17Å; L27-Y31 PolarHBondContact O-N 3.35Å; S28-Y31 WeakPolarHBondContact O-CB 3.41Å; S28-Y31 PolarHBondContact O-N 3.07Å; L29-Y31 VanDerWaalsContact C-N 3.34Å; L29-Y31 PolarHBondContact O-N 3.35Å; Y31-F34 HydrophobicContact CD1-CD2 4.27Å; Y31-F34 PolarHBondContact O-N 2.82Å; Y31-L35 PolarHBondContact O-N 3.4Å; Y31-Y63 HydrophobicContact CD1-CD1 4.08Å; Y31-Y63 AromaticContact CD1-CE1 3.93Å; Y31-Y63 HydrophobicContact CD1-CE1 3.93Å; Y31-Y63 AromaticContact CE1-CD1 3.52Å; Y31-Y63 HydrophobicContact CE1-CD1 3.52Å; Y31-Y63 AromaticContact CE1-CE1 3.51Å; Y31-Y63 HydrophobicContact CE1-CE1 3.51Å; Y31-Y63 HydrophobicContact CE2-CE1 4.47Å; Y31-Y63 AromaticContact CZ-CE1 3.8Å; Y31-A67 WeakPolarHBondContact OH-CB 3.37Å; Y31-D120 WeakPolarHBondContact CE2-OD1 3.2Å; Y31-D120 PolarHBondContact OH-OD1 2.92Å; Y31-V123 HydrophobicContact CD1-CG1 4.03Å; Y31-V123 HydrophobicContact CD1-CG2 4.29Å; Y31-V123 HydrophobicContact CE1-CB 4.08Å; Y31-V123 HydrophobicContact CE1-CG1 3.69Å; Y31-V123 HydrophobicContact CE1-CG2 4.25Å
32G93.2Very high87.9Confident13 Ų1330.9 Ų30.913%0.13417%0.166CC..Hα-helixtrans-61.1-42.4171.600000112.8S28 L29 L30 F34 L35 L36S28-G32 PolarHBondContact O-N 2.99Å; L29-G32 CarbonylContact O-C 3.57Å; L29-G32 WeakPolarHBondContact O-CA 3.37Å; L29-G32 PolarHBondContact O-N 3.38Å; L29-G32 VanDerWaalsContact O-N 3.09Å; L30-G32 VanDerWaalsContact C-N 3.29Å; L30-G32 PolarHBondContact O-N 2.92Å; G32-F34 VanDerWaalsContact C-N 3.35Å; G32-F34 PolarHBondContact O-N 2.96Å; G32-L35 WeakPolarHBondContact O-CB 3.2Å; G32-L35 PolarHBondContact O-N 3.47Å; G32-L35 VanDerWaalsContact O-N 3.17Å; G32-L36 WeakPolarHBondContact O-CG 3.37Å; G32-L36 PolarHBondContact O-N 3.04Å
33I94Very high86.7Confident54 Ų5432.3 Ų32.328%0.27718%0.177SC..Hα-helixtrans-63.8-41.1174.8-67.6167.3000110.7L29 L30 L35 L36 L37 V251L29-I33 HydrophobicContact CG-CD1 4.18Å; L29-I33 WeakPolarHBondContact O-CG1 3.29Å; L29-I33 PolarHBondContact O-N 3.09Å; L30-I33 HydrophobicContact CD1-CB 4.49Å; L30-I33 HydrophobicContact CD1-CD1 4.15Å; L30-I33 PolarHBondContact O-N 2.98Å; I33-L35 VanDerWaalsContact C-N 3.31Å; I33-L35 PolarHBondContact O-N 3.17Å; I33-L36 CarbonylContact O-C 3.57Å; I33-L36 PolarHBondContact O-N 3.4Å; I33-L37 HydrophobicContact CG2-CD1 3.86Å; I33-L37 HydrophobicContact CG2-CG 4.41Å; I33-L37 WeakPolarHBondContact O-CG 3.48Å; I33-L37 PolarHBondContact O-N 2.63Å; I33-V251 HydrophobicContact CG1-CG2 4.25Å
34F93.8Very high85.3Confident20 Ų2033 Ų339%0.08819%0.187CC..Hα-helixtrans-62.3-38.6173.3-64.9-31.3000112L16 L30 Y31 G32 L36 L37 W38 F56 I59 C60 Y63L16-F34 HydrophobicContact CD1-CB 3.95Å; L16-F34 HydrophobicContact CD2-CB 4.28Å; L30-F34 HydrophobicContact CD2-CE1 4.46Å; L30-F34 HydrophobicContact CD2-CE2 3.98Å; L30-F34 HydrophobicContact CD2-CZ 3.67Å; L30-F34 HydrophobicContact CG-CE1 4.26Å; L30-F34 HydrophobicContact CG-CE2 4Å; L30-F34 HydrophobicContact CG-CZ 3.82Å; L30-F34 WeakPolarHBondContact O-CD2 3.28Å; L30-F34 WeakPolarHBondContact O-CG 3.27Å; L30-F34 PolarHBondContact O-N 3.23Å; Y31-F34 HydrophobicContact CD1-CD2 4.27Å; Y31-F34 PolarHBondContact O-N 2.82Å; G32-F34 VanDerWaalsContact C-N 3.35Å; G32-F34 PolarHBondContact O-N 2.96Å; F34-L36 VanDerWaalsContact C-N 3.31Å; F34-L36 PolarHBondContact O-N 3.36Å; F34-L37 PolarHBondContact O-N 2.95Å; F34-L37 VanDerWaalsContact O-N 3.14Å; F34-W38 WeakPolarHBondContact O-CB 3.37Å; F34-W38 PolarHBondContact O-N 3.47Å; F34-F56 HydrophobicContact CB-CZ 4.14Å; F34-F56 HydrophobicContact CD1-CE2 4.26Å; F34-F56 WeakPolarHBondContact O-CZ 3.46Å; F34-I59 HydrophobicContact CZ-CG2 4.44Å; F34-C60 HydrophobicContact CD2-CB 4.49Å; F34-Y63 HydrophobicContact CD2-CD1 4.46Å; F34-Y63 AromaticContact CE2-CD1 3.56Å; F34-Y63 HydrophobicContact CE2-CD1 3.56Å; F34-Y63 HydrophobicContact CE2-CE1 4.24Å; F34-Y63 AromaticContact CE2-CG 3.83Å; F34-Y63 HydrophobicContact CE2-CG 3.83Å; F34-Y63 HydrophobicContact CZ-CD1 4.36Å; F34-Y63 HydrophobicContact CZ-CG 4.22Å
35L93.5Very high84Confident5 Ų533.2 Ų33.23%0.02619%0.189CC..Hα-helixtrans-61.3-39.9173.9-179.764.4000111.9P13 L16 L17 Y31 G32 I33 L37 W38 F309P13-L35 HydrophobicContact CB-CD1 3.74Å; P13-L35 WeakPolarHBondContact O-CD1 3.24Å; L16-L35 HydrophobicContact CB-CB 4.05Å; L16-L35 HydrophobicContact CB-CD1 4.25Å; L16-L35 HydrophobicContact CD1-CB 4.41Å; L17-L35 HydrophobicContact CB-CD2 3.84Å; L17-L35 HydrophobicContact CD1-CD2 3.79Å; L17-L35 HydrophobicContact CG-CD2 4.42Å; Y31-L35 PolarHBondContact O-N 3.4Å; G32-L35 WeakPolarHBondContact O-CB 3.2Å; G32-L35 PolarHBondContact O-N 3.47Å; G32-L35 VanDerWaalsContact O-N 3.17Å; I33-L35 VanDerWaalsContact C-N 3.31Å; I33-L35 PolarHBondContact O-N 3.17Å; L35-L37 VanDerWaalsContact C-N 3.29Å; L35-L37 PolarHBondContact O-N 3.12Å; L35-W38 WeakPolarHBondContact O-CB 3.46Å; L35-F309 HydrophobicContact CD2-CE2 3.63Å; L35-F309 HydrophobicContact CD2-CZ 3.83Å; L35-F309 HydrophobicContact CG-CE2 4.24Å
36L92.5Very high82.3Confident17 Ų1741.5 Ų41.59%0.08923%0.225CC..Hα-helixtrans-76.3-11.7176.2-62.7173000113.9G32 I33 F34 L250 V251 Y312G32-L36 WeakPolarHBondContact O-CG 3.37Å; G32-L36 PolarHBondContact O-N 3.04Å; I33-L36 CarbonylContact O-C 3.57Å; I33-L36 PolarHBondContact O-N 3.4Å; F34-L36 VanDerWaalsContact C-N 3.31Å; F34-L36 PolarHBondContact O-N 3.36Å; L36-L250 HydrophobicContact CD1-CB 4.49Å; L36-L250 HydrophobicContact CD2-CD1 3.81Å; L36-V251 HydrophobicContact CD1-CG2 3.96Å; L36-Y312 VanDerWaalsContact C-OH 3.22Å; L36-Y312 WeakPolarHBondContact CA-OH 3.43Å; L36-Y312 HydrophobicContact CD2-CD1 3.76Å; L36-Y312 HydrophobicContact CD2-CD2 4.25Å; L36-Y312 HydrophobicContact CD2-CE1 3.6Å; L36-Y312 HydrophobicContact CD2-CE2 4.05Å; L36-Y312 HydrophobicContact CD2-CG 4.13Å; L36-Y312 PolarHBondContact O-OH 3.47Å
37L90.3Very high80.7Confident68 Ų6845.4 Ų45.436%0.35624%0.242SC..Hα-helixtrans-100.3-23.4174.6-73.3172.6000112.1I33 F34 L35 P39 V40 F41 F56I33-L37 HydrophobicContact CG2-CD1 3.86Å; I33-L37 HydrophobicContact CG2-CG 4.41Å; I33-L37 WeakPolarHBondContact O-CG 3.48Å; I33-L37 PolarHBondContact O-N 2.63Å; F34-L37 PolarHBondContact O-N 2.95Å; F34-L37 VanDerWaalsContact O-N 3.14Å; L35-L37 VanDerWaalsContact C-N 3.29Å; L35-L37 PolarHBondContact O-N 3.12Å; L37-P39 VanDerWaalsContact C-CD 3.43Å; L37-V40 WeakPolarHBondContact O-CB 3.23Å; L37-V40 PolarHBondContact O-N 3.35Å; L37-V40 VanDerWaalsContact O-N 3.09Å; L37-F41 HydrophobicContact CB-CD2 4.29Å; L37-F41 HydrophobicContact CB-CE2 4.07Å; L37-F41 WeakPolarHBondContact O-CD2 3.47Å; L37-F41 PolarHBondContact O-N 3.13Å; L37-F56 HydrophobicContact CB-CE2 4.04Å; L37-F56 HydrophobicContact CB-CZ 4.44Å
38W88.1Confident79.2Confident30 Ų3046.1 Ų46.111%0.11426%0.255CS..Hα-helixtrans-45.9-51.4-178.6169.175.3000114.6Y8 A9 F12 P13 F34 L35 V40 F41 A42 F56 M313Y8-W38 AromaticContact CD1-NE1 3.91Å; Y8-W38 AromaticContact CE1-NE1 3.56Å; Y8-W38 AromaticContact CE2-CD1 3.64Å; Y8-W38 AromaticContact CE2-NE1 3.77Å; Y8-W38 AromaticContact CZ-CD1 3.46Å; Y8-W38 VanDerWaalsContact CZ-CD1 3.46Å; Y8-W38 AromaticContact CZ-NE1 3.48Å; Y8-W38 PolarHBondContact O-NE1 3.05Å; Y8-W38 PolarHBondContact OH-O 2.73Å; Y8-W38 VanDerWaalsContact OH-O 3.07Å; A9-W38 WeakPolarHBondContact O-CH2 3.11Å; A9-W38 VanDerWaalsContact O-CZ2 3.22Å; A9-W38 WeakPolarHBondContact O-CZ2 3.44Å; F12-W38 AromaticContact CD1-CD1 3.8Å; P13-W38 HydrophobicContact CB-CD2 3.98Å; P13-W38 HydrophobicContact CB-CE3 4.04Å; P13-W38 HydrophobicContact CB-CH2 4.33Å; P13-W38 HydrophobicContact CB-CZ2 4.24Å; P13-W38 HydrophobicContact CB-CZ3 4.23Å; P13-W38 HydrophobicContact CG-CD2 4.3Å; P13-W38 HydrophobicContact CG-CE3 4.5Å; P13-W38 HydrophobicContact CG-CH2 3.95Å; P13-W38 HydrophobicContact CG-CZ2 3.69Å; P13-W38 HydrophobicContact CG-CZ3 4.35Å; F34-W38 WeakPolarHBondContact O-CB 3.37Å; F34-W38 PolarHBondContact O-N 3.47Å; L35-W38 WeakPolarHBondContact O-CB 3.46Å; W38-V40 PolarHBondContact O-N 3.33Å; W38-F41 PolarHBondContact O-N 3.28Å; W38-A42 PolarHBondContact O-N 3.28Å; W38-F56 HydrophobicContact CB-CE1 4.27Å; W38-F56 HydrophobicContact CB-CZ 4.37Å; W38-M313 HydrophobicContact CE3-CE 4.19Å; W38-M313 HydrophobicContact CZ3-CE 3.68Å
39P83.1Confident77.9Confident9 Ų949.7 Ų49.76%0.05828%0.277CS..Hα-helixtrans-69.8-24.2-175.127.5-32000112.8L37 A42 Y312 A316L37-P39 VanDerWaalsContact C-CD 3.43Å; P39-A42 PolarHBondContact O-N 3.41Å; P39-Y312 HydrophobicContact CG-CE1 4.31Å; P39-Y312 VanDerWaalsContact CG-OH 3.24Å; P39-Y312 WeakPolarHBondContact CG-OH 3.37Å; P39-A316 HydrophobicContact CB-CB 3.66Å; P39-A316 HydrophobicContact CG-CB 3.54Å
40V81.3Confident76.7Confident80 Ų8053.1 Ų53.149%0.48530%0.302SS..Hα-helixtrans-67.3-40.5177.4-176.40000110.7L37 W38 T43L37-V40 WeakPolarHBondContact O-CB 3.23Å; L37-V40 PolarHBondContact O-N 3.35Å; L37-V40 VanDerWaalsContact O-N 3.09Å; W38-V40 PolarHBondContact O-N 3.33Å; V40-T43 PolarHBondContact O-OG1 2.76Å
41F81.7Confident76Confident71 Ų7151 Ų5131%0.31129%0.294SS..Hα-helixtrans-83.1-9-178.9-68.2-70.7000114.2L37 W38 T43 A52 T53 F56L37-F41 HydrophobicContact CB-CD2 4.29Å; L37-F41 HydrophobicContact CB-CE2 4.07Å; L37-F41 WeakPolarHBondContact O-CD2 3.47Å; L37-F41 PolarHBondContact O-N 3.13Å; W38-F41 PolarHBondContact O-N 3.28Å; F41-T43 PolarHBondContact O-N 3.43Å; F41-A52 HydrophobicContact CD1-CB 4.33Å; F41-T53 PolarHBondContact O-OG1 2.98Å; F41-F56 HydrophobicContact CB-CB 4.13Å; F41-F56 HydrophobicContact CB-CD1 4.37Å; F41-F56 HydrophobicContact CB-CG 4.12Å; F41-F56 HydrophobicContact CD1-CB 4.44Å; F41-F56 HydrophobicContact CD2-CB 4.22Å; F41-F56 HydrophobicContact CD2-CD1 4.48Å; F41-F56 AromaticContact CD2-CD2 3.4Å; F41-F56 HydrophobicContact CD2-CD2 3.4Å; F41-F56 VanDerWaalsContact CD2-CD2 3.4Å; F41-F56 AromaticContact CD2-CE2 3.83Å; F41-F56 HydrophobicContact CD2-CE2 3.83Å; F41-F56 AromaticContact CD2-CG 3.78Å; F41-F56 HydrophobicContact CD2-CG 3.78Å; F41-F56 AromaticContact CE2-CD2 3.69Å; F41-F56 HydrophobicContact CE2-CD2 3.69Å; F41-F56 HydrophobicContact CE2-CE2 4.09Å; F41-F56 HydrophobicContact CE2-CG 4.44Å; F41-F56 HydrophobicContact CG-CB 4.01Å; F41-F56 HydrophobicContact CG-CD2 4.07Å; F41-F56 HydrophobicContact CG-CG 4.01Å
42A71.8Confident75.5Confident8 Ų853.3 Ų53.37%0.06631%0.313CS..G310 helixtrans-65.9-27.2174.800000112.3Y8 W38 P39 G44 F320Y8-A42 HydrophobicContact CE1-CB 3.86Å; Y8-A42 PolarHBondContact OH-N 2.95Å; W38-A42 PolarHBondContact O-N 3.28Å; P39-A42 PolarHBondContact O-N 3.41Å; A42-G44 PolarHBondContact O-N 2.8Å; A42-F320 HydrophobicContact CB-CD2 3.56Å; A42-F320 HydrophobicContact CB-CE2 3.4Å; A42-F320 VanDerWaalsContact CB-CE2 3.4Å; A42-F320 HydrophobicContact CB-CG 4.28Å; A42-F320 HydrophobicContact CB-CZ 3.95Å; A42-F320 VanDerWaalsContact O-CE2 3.25Å; A42-F320 WeakPolarHBondContact O-CE2 3.31Å
43T58.3Low75.1Confident85 Ų8552.9 Ų52.952%0.52131%0.308SS..G310 helixtrans-61.3-9.9-176.860.80000114.7V40 F41 F320 S323V40-T43 PolarHBondContact O-OG1 2.76Å; F41-T43 PolarHBondContact O-N 3.43Å; T43-F320 HydrophobicContact CG2-CD2 3.96Å; T43-S323 WeakPolarHBondContact CG2-OG 3.4Å
44G53.9Low74.7Confident25 Ų2551.7 Ų51.726%0.25830%0.3SS..G310 helixtrans-111.621.5-16900000116.5A42 K46A42-G44 PolarHBondContact O-N 2.8Å; G44-K46 PolarHBondContact O-N 3.33Å
45C52.3Low74.4Confident49 Ų4958.1 Ų58.133%0.33132%0.324SS..  trans-66.664177.8-67.70000113.1E5E5-C45 WeakPolarHBondContact OE1-CB 3.46Å; E5-C45 PolarHBondContact OE1-SG 3.37Å; E5-C45 PolarHBondContact OE2-SG 2.86Å
46K52.2Low74.3Confident177 Ų17758.3 Ų58.377%0.7733%0.325SS*.  trans-74.1117.8152-69.4-173.2179.9-178.40106G44 G48G44-K46 PolarHBondContact O-N 3.33Å; K46-G48 PolarHBondContact O-N 3.19Å
47Q53.6Low74.3Confident144 Ų14457.5 Ų57.567%0.67332%0.321SS*.SBendtrans-50.9113.5176.6-71164.8-25.200109.4
48G57.7Low74.4Confident39 Ų3956.3 Ų56.340%0.40232%0.316SS..SBendtrans142165.2175.700000115.1K46 S50 G51K46-G48 PolarHBondContact O-N 3.19Å; G48-S50 PolarHBondContact O-N 2.94Å; G48-G51 PolarHBondContact O-N 3.26Å
49T64.9Low74.7Confident77 Ų7759.4 Ų59.447%0.47233%0.334SS..THydrogen-bonded Turntrans-66.3-2.6-178.6510000114.7F54 A138T49-F54 HydrophobicContact CG2-CZ 4.46Å; T49-F54 WeakPolarHBondContact O-CD1 3.47Å; T49-A138 HydrophobicContact CG2-CB 4.38Å
50S67.2Low75.2Confident90 Ų9059 Ų5963%0.62933%0.331SS*.THydrogen-bonded Turntrans-98.8-10-177.8-1650000113.6G48G48-S50 PolarHBondContact O-N 2.94Å
51G77.9Confident75.9Confident10 Ų1056.5 Ų56.510%0.10332%0.315CS..SBendtrans-65.9148.4-176.200000114.1G48 T53 F54 R55G48-G51 PolarHBondContact O-N 3.26Å; G51-T53 PolarHBondContact O-N 2.94Å; G51-F54 PolarHBondContact O-N 2.9Å; G51-F54 VanDerWaalsContact O-N 3.12Å; G51-R55 PolarHBondContact O-N 3.38Å; G51-R55 VanDerWaalsContact O-N 3.13Å
52A83.8Confident76.5Confident49 Ų4958 Ų5841%0.40533%0.325SS..Hα-helixtrans-58.5-37.417500000111.8F41 F54 R55 F56F41-A52 HydrophobicContact CD1-CB 4.33Å; A52-F54 PolarHBondContact O-N 3.22Å; A52-R55 PolarHBondContact O-N 2.83Å; A52-F56 WeakPolarHBondContact O-CB 3.32Å; A52-F56 PolarHBondContact O-N 3.35Å
53T84.8Confident77.7Confident4 Ų459.5 Ų59.53%0.02533%0.33CS..Hα-helixtrans-57.1-45.8173.7-41.10000112F4 Y8 F41 G51 F56 V57F4-T53 HydrophobicContact CE1-CG2 4.38Å; F4-T53 HydrophobicContact CZ-CG2 4.31Å; Y8-T53 HydrophobicContact CD1-CG2 3.89Å; Y8-T53 HydrophobicContact CD2-CG2 3.98Å; Y8-T53 HydrophobicContact CE1-CG2 3.49Å; Y8-T53 VanDerWaalsContact CE1-CG2 3.49Å; Y8-T53 HydrophobicContact CE2-CG2 3.59Å; Y8-T53 HydrophobicContact CG-CG2 4.11Å; F41-T53 PolarHBondContact O-OG1 2.98Å; G51-T53 PolarHBondContact O-N 2.94Å; T53-F56 PolarHBondContact O-N 3.48Å; T53-V57 WeakPolarHBondContact O-CG2 3.39Å; T53-V57 PolarHBondContact O-N 3.24Å
54F86.1Confident79.4Confident28 Ų2855.5 Ų55.512%0.12331%0.305CS..Hα-helixtrans-64.8-44.2177.6178.5-99000111.4T49 G51 A52 F56 V57 V58 V131 A134T49-F54 HydrophobicContact CG2-CZ 4.46Å; T49-F54 WeakPolarHBondContact O-CD1 3.47Å; G51-F54 PolarHBondContact O-N 2.9Å; G51-F54 VanDerWaalsContact O-N 3.12Å; A52-F54 PolarHBondContact O-N 3.22Å; F54-F56 VanDerWaalsContact C-N 3.31Å; F54-F56 PolarHBondContact O-N 3.06Å; F54-V57 PolarHBondContact O-N 3.4Å; F54-V58 HydrophobicContact CD1-CG2 4.1Å; F54-V58 HydrophobicContact CE1-CG2 3.67Å; F54-V58 HydrophobicContact CE2-CG2 4.18Å; F54-V58 HydrophobicContact CZ-CG2 3.71Å; F54-V58 WeakPolarHBondContact O-CG2 3.38Å; F54-V58 PolarHBondContact O-N 2.99Å; F54-V131 HydrophobicContact CE2-CG1 4.08Å; F54-V131 HydrophobicContact CZ-CG1 4.29Å; F54-A134 HydrophobicContact CD2-CB 3.75Å; F54-A134 HydrophobicContact CE2-CB 3.93Å
55R88.6Confident81.3Confident156 Ų15655.8 Ų55.859%0.58930%0.303SS*.Hα-helixtrans-59.6-42.2176-63.6-177.1-168.3-154.80.8111.7G51 A52 V58 I59G51-R55 PolarHBondContact O-N 3.38Å; G51-R55 VanDerWaalsContact O-N 3.13Å; A52-R55 PolarHBondContact O-N 2.83Å; R55-V58 PolarHBondContact O-N 2.91Å; R55-I59 VanDerWaalsContact O-CG1 3.27Å; R55-I59 WeakPolarHBondContact O-CG1 3.49Å; R55-I59 PolarHBondContact O-N 3.42Å
56F91.1Very high83.3Confident9 Ų958.8 Ų58.84%0.03932%0.315CS..Hα-helixtrans-60-48.6176.3175-103.4000111.9Y8 F12 F34 L37 W38 F41 A52 T53 F54 V58 I59 C60Y8-F56 HydrophobicContact CE2-CD1 4.15Å; Y8-F56 HydrophobicContact CE2-CE1 4.46Å; F12-F56 AromaticContact CE1-CE1 3.75Å; F12-F56 HydrophobicContact CE1-CE1 3.75Å; F12-F56 HydrophobicContact CE1-CZ 4.49Å; F12-F56 HydrophobicContact CZ-CE1 4.35Å; F34-F56 HydrophobicContact CB-CZ 4.14Å; F34-F56 HydrophobicContact CD1-CE2 4.26Å; F34-F56 WeakPolarHBondContact O-CZ 3.46Å; L37-F56 HydrophobicContact CB-CE2 4.04Å; L37-F56 HydrophobicContact CB-CZ 4.44Å; W38-F56 HydrophobicContact CB-CE1 4.27Å; W38-F56 HydrophobicContact CB-CZ 4.37Å; F41-F56 HydrophobicContact CB-CB 4.13Å; F41-F56 HydrophobicContact CB-CD1 4.37Å; F41-F56 HydrophobicContact CB-CG 4.12Å; F41-F56 HydrophobicContact CD1-CB 4.44Å; F41-F56 HydrophobicContact CD2-CB 4.22Å; F41-F56 HydrophobicContact CD2-CD1 4.48Å; F41-F56 AromaticContact CD2-CD2 3.4Å; F41-F56 HydrophobicContact CD2-CD2 3.4Å; F41-F56 VanDerWaalsContact CD2-CD2 3.4Å; F41-F56 AromaticContact CD2-CE2 3.83Å; F41-F56 HydrophobicContact CD2-CE2 3.83Å; F41-F56 AromaticContact CD2-CG 3.78Å; F41-F56 HydrophobicContact CD2-CG 3.78Å; F41-F56 AromaticContact CE2-CD2 3.69Å; F41-F56 HydrophobicContact CE2-CD2 3.69Å; F41-F56 HydrophobicContact CE2-CE2 4.09Å; F41-F56 HydrophobicContact CE2-CG 4.44Å; F41-F56 HydrophobicContact CG-CB 4.01Å; F41-F56 HydrophobicContact CG-CD2 4.07Å; F41-F56 HydrophobicContact CG-CG 4.01Å; A52-F56 WeakPolarHBondContact O-CB 3.32Å; A52-F56 PolarHBondContact O-N 3.35Å; T53-F56 PolarHBondContact O-N 3.48Å; F54-F56 VanDerWaalsContact C-N 3.31Å; F54-F56 PolarHBondContact O-N 3.06Å; F56-V58 VanDerWaalsContact C-N 3.32Å; F56-V58 PolarHBondContact O-N 3.45Å; F56-I59 PolarHBondContact O-N 3.03Å; F56-C60 PolarHBondContact O-N 3.48Å; F56-C60 PolarHBondContact O-SG 3.3Å; F56-C60 VanDerWaalsContact O-SG 3.38Å
57V91.4Very high85.2Confident0 Ų050.4 Ų50.40%028%0.279CS..Hα-helixtrans-62-39.4176.8177.10000111.7Y8 F12 T53 F54 C60 L61 V131Y8-V57 HydrophobicContact CD2-CG2 3.66Å; Y8-V57 HydrophobicContact CE2-CG2 3.75Å; F12-V57 HydrophobicContact CE2-CG1 4.49Å; T53-V57 WeakPolarHBondContact O-CG2 3.39Å; T53-V57 PolarHBondContact O-N 3.24Å; F54-V57 PolarHBondContact O-N 3.4Å; V57-C60 PolarHBondContact O-N 3.46Å; V57-L61 PolarHBondContact O-N 3.1Å; V57-V131 HydrophobicContact CG1-CG2 3.8Å
58V92.7Very high87Confident43 Ų4344.9 Ų44.926%0.26126%0.255SS..Hα-helixtrans-63.8-41.3175.6170.90000111.5F54 R55 F56 C60 L61 L62 V131F54-V58 HydrophobicContact CD1-CG2 4.1Å; F54-V58 HydrophobicContact CE1-CG2 3.67Å; F54-V58 HydrophobicContact CE2-CG2 4.18Å; F54-V58 HydrophobicContact CZ-CG2 3.71Å; F54-V58 WeakPolarHBondContact O-CG2 3.38Å; F54-V58 PolarHBondContact O-N 2.99Å; R55-V58 PolarHBondContact O-N 2.91Å; F56-V58 VanDerWaalsContact C-N 3.32Å; F56-V58 PolarHBondContact O-N 3.45Å; V58-C60 VanDerWaalsContact C-N 3.32Å; V58-C60 PolarHBondContact O-N 3.5Å; V58-L61 WeakPolarHBondContact O-CB 3.23Å; V58-L61 PolarHBondContact O-N 3.45Å; V58-L62 HydrophobicContact CG1-CD1 4.29Å; V58-L62 HydrophobicContact CG1-CG 4.44Å; V58-L62 WeakPolarHBondContact O-CG 3.22Å; V58-L62 PolarHBondContact O-N 2.96Å; V58-V131 HydrophobicContact CG2-CG2 4.04Å
59I94.4Very high88.7Confident94 Ų9447.6 Ų47.648%0.48226%0.26SS..Hα-helixtrans-60.1-44.1174.7-69.2162.8000110.4F34 R55 F56 L61 L62 Y63F34-I59 HydrophobicContact CZ-CG2 4.44Å; R55-I59 VanDerWaalsContact O-CG1 3.27Å; R55-I59 WeakPolarHBondContact O-CG1 3.49Å; R55-I59 PolarHBondContact O-N 3.42Å; F56-I59 PolarHBondContact O-N 3.03Å; I59-L61 VanDerWaalsContact C-N 3.33Å; I59-L61 PolarHBondContact O-N 3.44Å; I59-L62 PolarHBondContact O-N 3.11Å; I59-Y63 WeakPolarHBondContact O-CB 3.46Å; I59-Y63 PolarHBondContact O-N 3.25Å
60C93.7Very high89.9Confident1 Ų145.7 Ų45.71%0.00725%0.25CC..Hα-helixtrans-64.1-36.3175.9-63.40000112.7F12 F34 F56 V57 V58 S64F12-C60 HydrophobicContact CE2-CB 4.35Å; F12-C60 HydrophobicContact CZ-CB 3.8Å; F34-C60 HydrophobicContact CD2-CB 4.49Å; F56-C60 PolarHBondContact O-N 3.48Å; F56-C60 PolarHBondContact O-SG 3.3Å; F56-C60 VanDerWaalsContact O-SG 3.38Å; V57-C60 PolarHBondContact O-N 3.46Å; V58-C60 VanDerWaalsContact C-N 3.32Å; V58-C60 PolarHBondContact O-N 3.5Å; C60-S64 WeakPolarHBondContact O-CB 3.21Å; C60-S64 PolarHBondContact O-N 2.92Å; C60-S64 PolarHBondContact O-OG 3.47Å
61L95.2Very high90.9Very high27 Ų2741.6 Ų41.614%0.14122%0.221CC..Hα-helixtrans-64.9-46.1174.1176.962000111.6V57 V58 I59 Y63 S64 S65 F124 S127 L128 V131V57-L61 PolarHBondContact O-N 3.1Å; V58-L61 WeakPolarHBondContact O-CB 3.23Å; V58-L61 PolarHBondContact O-N 3.45Å; I59-L61 VanDerWaalsContact C-N 3.33Å; I59-L61 PolarHBondContact O-N 3.44Å; L61-Y63 VanDerWaalsContact C-N 3.34Å; L61-Y63 PolarHBondContact O-N 3.21Å; L61-S64 WeakPolarHBondContact CA-OG 3.42Å; L61-S64 PolarHBondContact O-N 3.38Å; L61-S64 PolarHBondContact O-OG 3.46Å; L61-S64 VanDerWaalsContact O-OG 3.07Å; L61-S65 WeakPolarHBondContact O-CB 3.49Å; L61-S65 PolarHBondContact O-N 2.92Å; L61-S65 PolarHBondContact O-OG 3.38Å; L61-F124 HydrophobicContact CD1-CD2 3.81Å; L61-F124 HydrophobicContact CD1-CE2 3.8Å; L61-S127 WeakPolarHBondContact CA-OG 3.45Å; L61-S127 VanDerWaalsContact CD1-OG 3.31Å; L61-S127 WeakPolarHBondContact CD1-OG 3.32Å; L61-L128 HydrophobicContact CD1-CB 3.99Å; L61-L128 HydrophobicContact CD2-CD1 4.43Å; L61-V131 HydrophobicContact CD2-CB 4.42Å; L61-V131 HydrophobicContact CD2-CG2 3.97Å
62L96.1Very high91.4Very high102 Ų10245.7 Ų45.753%0.53424%0.239SC..Hα-helixtrans-60.6-46176.7-68.8175.2000110.7V58 I59 S65 L66V58-L62 HydrophobicContact CG1-CD1 4.29Å; V58-L62 HydrophobicContact CG1-CG 4.44Å; V58-L62 WeakPolarHBondContact O-CG 3.22Å; V58-L62 PolarHBondContact O-N 2.96Å; I59-L62 PolarHBondContact O-N 3.11Å; L62-S65 PolarHBondContact O-N 3.31Å; L62-S65 PolarHBondContact O-OG 2.64Å; L62-L66 WeakPolarHBondContact O-CG 3.3Å; L62-L66 PolarHBondContact O-N 3Å
63Y95.3Very high91.7Very high41 Ų4147.2 Ų47.216%0.16125%0.246CC..Hα-helixtrans-62.5-49.5177.9178.5-103.8000112.9L27 L30 Y31 F34 I59 L61 S65 L66 A67L27-Y63 VanDerWaalsContact CA-OH 3.22Å; L27-Y63 WeakPolarHBondContact CA-OH 3.19Å; L27-Y63 HydrophobicContact CD2-CE2 4.33Å; L27-Y63 WeakPolarHBondContact CD2-OH 3.29Å; L27-Y63 PolarHBondContact O-OH 3.41Å; L27-Y63 VanDerWaalsContact O-OH 3.04Å; L30-Y63 HydrophobicContact CB-CE1 4Å; L30-Y63 HydrophobicContact CB-CE2 4.45Å; L30-Y63 WeakPolarHBondContact CB-OH 3.37Å; L30-Y63 HydrophobicContact CD2-CD1 4.04Å; L30-Y63 HydrophobicContact CD2-CD2 3.45Å; L30-Y63 VanDerWaalsContact CD2-CD2 3.45Å; L30-Y63 HydrophobicContact CD2-CE1 3.75Å; L30-Y63 HydrophobicContact CD2-CE2 3.14Å; L30-Y63 HydrophobicContact CD2-CG 3.86Å; L30-Y63 HydrophobicContact CG-CE1 4.3Å; L30-Y63 HydrophobicContact CG-CE2 4.36Å; Y31-Y63 HydrophobicContact CD1-CD1 4.08Å; Y31-Y63 AromaticContact CD1-CE1 3.93Å; Y31-Y63 HydrophobicContact CD1-CE1 3.93Å; Y31-Y63 AromaticContact CE1-CD1 3.52Å; Y31-Y63 HydrophobicContact CE1-CD1 3.52Å; Y31-Y63 AromaticContact CE1-CE1 3.51Å; Y31-Y63 HydrophobicContact CE1-CE1 3.51Å; Y31-Y63 HydrophobicContact CE2-CE1 4.47Å; Y31-Y63 AromaticContact CZ-CE1 3.8Å; F34-Y63 HydrophobicContact CD2-CD1 4.46Å; F34-Y63 AromaticContact CE2-CD1 3.56Å; F34-Y63 HydrophobicContact CE2-CD1 3.56Å; F34-Y63 HydrophobicContact CE2-CE1 4.24Å; F34-Y63 AromaticContact CE2-CG 3.83Å; F34-Y63 HydrophobicContact CE2-CG 3.83Å; F34-Y63 HydrophobicContact CZ-CD1 4.36Å; F34-Y63 HydrophobicContact CZ-CG 4.22Å; I59-Y63 WeakPolarHBondContact O-CB 3.46Å; I59-Y63 PolarHBondContact O-N 3.25Å; L61-Y63 VanDerWaalsContact C-N 3.34Å; L61-Y63 PolarHBondContact O-N 3.21Å; Y63-S65 VanDerWaalsContact C-N 3.27Å; Y63-S65 PolarHBondContact O-N 3.39Å; Y63-L66 WeakPolarHBondContact O-CB 3.31Å; Y63-L66 PolarHBondContact O-N 3.04Å; Y63-L66 VanDerWaalsContact O-N 3.09Å; Y63-A67 PolarHBondContact O-N 3.33Å
64S94.5Very high91.7Very high0 Ų048.1 Ų48.10%025%0.249CC..Hα-helixtrans-62.9-33.917853.40000112.3C60 L61 A67 V68 F124 S127C60-S64 WeakPolarHBondContact O-CB 3.21Å; C60-S64 PolarHBondContact O-N 2.92Å; C60-S64 PolarHBondContact O-OG 3.47Å; L61-S64 WeakPolarHBondContact CA-OG 3.42Å; L61-S64 PolarHBondContact O-N 3.38Å; L61-S64 PolarHBondContact O-OG 3.46Å; L61-S64 VanDerWaalsContact O-OG 3.07Å; S64-A67 PolarHBondContact O-N 3.47Å; S64-V68 WeakPolarHBondContact O-CB 3.3Å; S64-V68 VanDerWaalsContact O-CG2 3.3Å; S64-V68 WeakPolarHBondContact O-CG2 3.45Å; S64-V68 PolarHBondContact O-N 3.31Å; S64-F124 WeakPolarHBondContact OG-CA 3.31Å; S64-S127 PolarHBondContact OG-OG 3.24Å
65S94.3Very high91.6Very high31 Ų3148.9 Ų48.922%0.21725%0.253CS..Hα-helixtrans-63.4-42.1172.275.60000112.2L61 L62 Y63 L69L61-S65 WeakPolarHBondContact O-CB 3.49Å; L61-S65 PolarHBondContact O-N 2.92Å; L61-S65 PolarHBondContact O-OG 3.38Å; L62-S65 PolarHBondContact O-N 3.31Å; L62-S65 PolarHBondContact O-OG 2.64Å; Y63-S65 VanDerWaalsContact C-N 3.27Å; Y63-S65 PolarHBondContact O-N 3.39Å; S65-L69 VanDerWaalsContact O-CB 3.32Å; S65-L69 WeakPolarHBondContact O-CB 3.47Å; S65-L69 WeakPolarHBondContact O-CD1 3.32Å; S65-L69 WeakPolarHBondContact O-CG 3.26Å; S65-L69 PolarHBondContact O-N 3.32Å
66L94.2Very high91.5Very high112 Ų11245.4 Ų45.459%0.58625%0.249SC*.Hα-helixtrans-66.1-39.5175.1-69.7172000111.7L62 Y63 L69 S70L62-L66 WeakPolarHBondContact O-CG 3.3Å; L62-L66 PolarHBondContact O-N 3Å; Y63-L66 WeakPolarHBondContact O-CB 3.31Å; Y63-L66 PolarHBondContact O-N 3.04Å; Y63-L66 VanDerWaalsContact O-N 3.09Å; L66-L69 PolarHBondContact O-N 3.19Å; L66-S70 VanDerWaalsContact O-CB 3.32Å; L66-S70 WeakPolarHBondContact O-CB 3.22Å; L66-S70 PolarHBondContact O-N 2.93Å; L66-S70 PolarHBondContact O-OG 2.91Å
67A92.1Very high91.2Very high1 Ų147 Ų471%0.00826%0.264CS..Hα-helixtrans-63.3-50.8176.700000111.2L27 Y31 Y63 S64 L69 S70 Q71 D120L27-A67 HydrophobicContact CD2-CB 4.25Å; Y31-A67 WeakPolarHBondContact OH-CB 3.37Å; Y63-A67 PolarHBondContact O-N 3.33Å; S64-A67 PolarHBondContact O-N 3.47Å; A67-L69 VanDerWaalsContact C-N 3.35Å; A67-L69 PolarHBondContact O-N 3.46Å; A67-S70 PolarHBondContact O-N 3.2Å; A67-S70 VanDerWaalsContact O-N 3.13Å; A67-S70 PolarHBondContact O-OG 3.24Å; A67-Q71 WeakPolarHBondContact O-CG 3.23Å; A67-Q71 PolarHBondContact O-N 3.13Å; A67-D120 WeakPolarHBondContact CB-OD1 3.31Å
68V92.2Very high90.7Very high29 Ų2948.5 Ų48.518%0.17627%0.272CS..Hα-helixtrans-57.7-46.5175.3172.30000111.1S64 S70 Q71 I72 D120 F124S64-V68 WeakPolarHBondContact O-CB 3.3Å; S64-V68 VanDerWaalsContact O-CG2 3.3Å; S64-V68 WeakPolarHBondContact O-CG2 3.45Å; S64-V68 PolarHBondContact O-N 3.31Å; V68-S70 VanDerWaalsContact C-N 3.32Å; V68-S70 PolarHBondContact O-N 3.29Å; V68-Q71 PolarHBondContact O-N 3.32Å; V68-I72 HydrophobicContact CG1-CD1 3.76Å; V68-I72 HydrophobicContact CG1-CG1 4.48Å; V68-I72 VanDerWaalsContact O-CG1 3.31Å; V68-I72 WeakPolarHBondContact O-CG1 3.36Å; V68-I72 PolarHBondContact O-N 3.07Å; V68-D120 HydrophobicContact CG2-CB 3.74Å; V68-F124 HydrophobicContact CG2-CB 4.2Å
69L93Very high90.1Very high96 Ų9650.7 Ų50.750%0.50329%0.294SS..Hα-helixtrans-60.5-41.8176.5-73.9169.9000111.8S65 L66 A67 Q71 I72 C73S65-L69 VanDerWaalsContact O-CB 3.32Å; S65-L69 WeakPolarHBondContact O-CB 3.47Å; S65-L69 WeakPolarHBondContact O-CD1 3.32Å; S65-L69 WeakPolarHBondContact O-CG 3.26Å; S65-L69 PolarHBondContact O-N 3.32Å; L66-L69 PolarHBondContact O-N 3.19Å; A67-L69 VanDerWaalsContact C-N 3.35Å; A67-L69 PolarHBondContact O-N 3.46Å; L69-Q71 PolarHBondContact O-N 2.67Å; L69-I72 PolarHBondContact O-N 3.22Å; L69-C73 WeakPolarHBondContact O-CB 3.4Å; L69-C73 PolarHBondContact O-N 3.26Å; L69-C73 PolarHBondContact O-SG 3.17Å
70S89.7Confident89.7Confident37 Ų3752 Ų5226%0.25931%0.306SS..Hα-helixtrans-63.2-40.1178.475.20000112.5L66 A67 V68 Y74L66-S70 VanDerWaalsContact O-CB 3.32Å; L66-S70 WeakPolarHBondContact O-CB 3.22Å; L66-S70 PolarHBondContact O-N 2.93Å; L66-S70 PolarHBondContact O-OG 2.91Å; A67-S70 PolarHBondContact O-N 3.2Å; A67-S70 VanDerWaalsContact O-N 3.13Å; A67-S70 PolarHBondContact O-OG 3.24Å; V68-S70 VanDerWaalsContact C-N 3.32Å; V68-S70 PolarHBondContact O-N 3.29Å; S70-Y74 VanDerWaalsContact O-CB 3.26Å; S70-Y74 WeakPolarHBondContact O-CB 3.43Å; S70-Y74 PolarHBondContact O-N 2.92Å
71Q88Confident88.6Confident4 Ų454.1 Ų54.12%0.01932%0.321CS..Hα-helixtrans-63.6-47.3174.3-64.7-64.1-14.900111A67 V68 L69 Y74 H75 G101 F117 D120A67-Q71 WeakPolarHBondContact O-CG 3.23Å; A67-Q71 PolarHBondContact O-N 3.13Å; V68-Q71 PolarHBondContact O-N 3.32Å; L69-Q71 PolarHBondContact O-N 2.67Å; Q71-Y74 PolarHBondContact O-N 2.92Å; Q71-H75 PolarHBondContact O-CD2 3.37Å; Q71-H75 VanDerWaalsContact O-CD2 3.27Å; Q71-H75 PolarHBondContact O-N 3.27Å; Q71-G101 PolarHBondContact NE2-O 2.89Å; Q71-F117 HydrophobicContact CB-CD1 4.31Å; Q71-F117 HydrophobicContact CB-CE1 4.11Å; Q71-D120 WeakPolarHBondContact CG-OD2 3.37Å
72I88.4Confident87.3Confident95 Ų9557.4 Ų57.449%0.48735%0.347SS..Hα-helixtrans-60.8-50179.1-66.1166.8000110.2V68 L69 Y74 H75 V76V68-I72 HydrophobicContact CG1-CD1 3.76Å; V68-I72 HydrophobicContact CG1-CG1 4.48Å; V68-I72 VanDerWaalsContact O-CG1 3.31Å; V68-I72 WeakPolarHBondContact O-CG1 3.36Å; V68-I72 PolarHBondContact O-N 3.07Å; L69-I72 PolarHBondContact O-N 3.22Å; I72-Y74 VanDerWaalsContact C-N 3.32Å; I72-Y74 PolarHBondContact O-N 2.77Å; I72-H75 PolarHBondContact O-N 3.39Å; I72-V76 HydrophobicContact CG2-CG2 4.25Å; I72-V76 WeakPolarHBondContact O-CB 3.43Å; I72-V76 VanDerWaalsContact O-CG2 3.23Å; I72-V76 WeakPolarHBondContact O-CG2 2.72Å; I72-V76 PolarHBondContact O-N 2.9Å
73C89.6Confident85.8Confident82 Ų8255.1 Ų55.155%0.55433%0.334SS*.Hα-helixtrans-59.1-42.2178.7-72.30000112L69 A77L69-C73 WeakPolarHBondContact O-CB 3.4Å; L69-C73 PolarHBondContact O-N 3.26Å; L69-C73 PolarHBondContact O-SG 3.17Å; C73-A77 VanDerWaalsContact O-CB 3.27Å; C73-A77 WeakPolarHBondContact O-CB 3.35Å; C73-A77 PolarHBondContact O-N 2.88Å
74Y86Confident84.3Confident23 Ų2357.8 Ų57.89%0.0935%0.348CS..Hα-helixtrans-63.8-47.4178.5177.9-104.1000112.4S70 Q71 I72 A77 L78 L97 L102S70-Y74 VanDerWaalsContact O-CB 3.26Å; S70-Y74 WeakPolarHBondContact O-CB 3.43Å; S70-Y74 PolarHBondContact O-N 2.92Å; Q71-Y74 PolarHBondContact O-N 2.92Å; I72-Y74 VanDerWaalsContact C-N 3.32Å; I72-Y74 PolarHBondContact O-N 2.77Å; Y74-A77 PolarHBondContact O-N 3.47Å; Y74-L78 WeakPolarHBondContact O-CB 2.77Å; Y74-L78 PolarHBondContact O-N 2.96Å; Y74-L97 HydrophobicContact CD2-CD2 4.5Å; Y74-L97 HydrophobicContact CE2-CD1 4.11Å; Y74-L97 HydrophobicContact CE2-CD2 4.36Å; Y74-L102 HydrophobicContact CD1-CB 3.99Å; Y74-L102 HydrophobicContact CD1-CD2 4.36Å; Y74-L102 HydrophobicContact CD2-CB 3.81Å; Y74-L102 HydrophobicContact CD2-CD1 4.18Å; Y74-L102 HydrophobicContact CD2-CG 4.43Å; Y74-L102 HydrophobicContact CE1-CB 4.15Å; Y74-L102 HydrophobicContact CE2-CB 3.98Å; Y74-L102 HydrophobicContact CG-CB 3.82Å; Y74-L102 HydrophobicContact CG-CD1 4.34Å; Y74-L102 HydrophobicContact CG-CD2 4.03Å; Y74-L102 HydrophobicContact CG-CG 4.27Å
75H83.1Confident82.7Confident44 Ų4466 Ų6620%0.20439%0.387CS..Hα-helixtrans-70.5-33.5179.6-79.7-78.4000113Q71 I72 A79 F117Q71-H75 PolarHBondContact O-CD2 3.37Å; Q71-H75 VanDerWaalsContact O-CD2 3.27Å; Q71-H75 PolarHBondContact O-N 3.27Å; I72-H75 PolarHBondContact O-N 3.39Å; H75-A79 WeakPolarHBondContact O-CB 3.37Å; H75-A79 PolarHBondContact O-N 2.85Å; H75-F117 AromaticContact CD2-CE1 3.59Å; H75-F117 AromaticContact CD2-CZ 3.33Å; H75-F117 WeakPolarHBondContact CD2-CZ 3.33Å; H75-F117 AromaticContact CE1-CZ 3.76Å; H75-F117 AromaticContact CG-CZ 3.94Å; H75-F117 AromaticContact NE2-CE1 3.82Å; H75-F117 AromaticContact NE2-CZ 3.22Å; H75-F117 WeakPolarHBondContact NE2-CZ 3.39Å
76V86.3Confident81.1Confident82 Ų8271.9 Ų71.950%0.49741%0.411SS..Hα-helixtrans-65.5-44.2170.9171.80000110.5I72 L78 A79 V80I72-V76 HydrophobicContact CG2-CG2 4.25Å; I72-V76 WeakPolarHBondContact O-CB 3.43Å; I72-V76 VanDerWaalsContact O-CG2 3.23Å; I72-V76 WeakPolarHBondContact O-CG2 2.72Å; I72-V76 PolarHBondContact O-N 2.9Å; V76-L78 PolarHBondContact O-N 3.12Å; V76-A79 PolarHBondContact O-N 2.77Å; V76-V80 HydrophobicContact CG1-CG2 4.24Å; V76-V80 WeakPolarHBondContact O-CB 3.47Å; V76-V80 VanDerWaalsContact O-CG2 3.31Å; V76-V80 WeakPolarHBondContact O-CG2 3.4Å; V76-V80 PolarHBondContact O-N 3.33Å
77A85.3Confident79.6Confident43 Ų4367.6 Ų67.636%0.35539%0.388SS..Hα-helixtrans-60.9-45.1176.500000111.4C73 Y74 A79 V80 S81C73-A77 VanDerWaalsContact O-CB 3.27Å; C73-A77 WeakPolarHBondContact O-CB 3.35Å; C73-A77 PolarHBondContact O-N 2.88Å; Y74-A77 PolarHBondContact O-N 3.47Å; A77-A79 VanDerWaalsContact C-N 3.28Å; A77-A79 PolarHBondContact O-N 2.9Å; A77-V80 PolarHBondContact O-N 2.98Å; A77-S81 WeakPolarHBondContact O-CB 3.37Å; A77-S81 PolarHBondContact O-N 2.76Å; A77-S81 PolarHBondContact O-OG 2.88Å
78L80.5Confident78.1Confident32 Ų3271.9 Ų71.917%0.16841%0.414CS..Hα-helixtrans-63.7-31.1176.9-173.668.8000113Y74 V76 S81 K104Y74-L78 WeakPolarHBondContact O-CB 2.77Å; Y74-L78 PolarHBondContact O-N 2.96Å; V76-L78 PolarHBondContact O-N 3.12Å; L78-S81 CarbonylContact C-O 3.54Å; L78-K104 HydrophobicContact CD2-CB 4.48Å; L78-K104 HydrophobicContact CD2-CG 3.94Å
79A81.1Confident76.8Confident88 Ų8875.5 Ų75.573%0.72744%0.436SS*.Hα-helixtrans-79.4-34.1177.600000113.2H75 V76 A77H75-A79 WeakPolarHBondContact O-CB 3.37Å; H75-A79 PolarHBondContact O-N 2.85Å; V76-A79 PolarHBondContact O-N 2.77Å; A77-A79 VanDerWaalsContact C-N 3.28Å; A77-A79 PolarHBondContact O-N 2.9Å
80V84.6Confident75.6Confident122 Ų12273.1 Ų73.174%0.73943%0.427SS*.Hα-helixtrans-88.2-46.4-175.7172.70000111.9V76 A77V76-V80 HydrophobicContact CG1-CG2 4.24Å; V76-V80 WeakPolarHBondContact O-CB 3.47Å; V76-V80 VanDerWaalsContact O-CG2 3.31Å; V76-V80 WeakPolarHBondContact O-CG2 3.4Å; V76-V80 PolarHBondContact O-N 3.33Å; A77-V80 PolarHBondContact O-N 2.98Å
81S70.9Confident74.7Confident46 Ų4678.2 Ų78.232%0.32245%0.447SS..SBendtrans-93.3125172.860.40000106.8A77 L78 L83A77-S81 WeakPolarHBondContact O-CB 3.37Å; A77-S81 PolarHBondContact O-N 2.76Å; A77-S81 PolarHBondContact O-OG 2.88Å; L78-S81 CarbonylContact C-O 3.54Å; S81-L83 PolarHBondContact O-N 3.49Å
82S67.6Low74.1Confident96 Ų9680.6 Ų80.667%0.67147%0.472SS*.  trans-65.842.416958.30000111.8E84 E85S82-E84 PolarHBondContact O-N 3.36Å; S82-E85 PolarHBondContact O-N 3.49Å
83L64.7Low73.4Confident53 Ų5385.4 Ų85.428%0.27748%0.484SS..G310 helixtrans-57.5-14.9176.5-138.480.3000111.6S81 E85 Q86 L87S81-L83 PolarHBondContact O-N 3.49Å; L83-E85 PolarHBondContact O-N 3.48Å; L83-E85 VanDerWaalsContact O-N 3.14Å; L83-Q86 PolarHBondContact O-N 2.96Å; L83-L87 HydrophobicContact CB-CD1 4.18Å; L83-L87 HydrophobicContact CD2-CD1 3.63Å; L83-L87 HydrophobicContact CG-CD1 3.77Å; L83-L87 WeakPolarHBondContact O-CD1 3.16Å; L83-L87 PolarHBondContact O-N 3.24Å; L83-L87 VanDerWaalsContact O-N 3.12Å
84E64.9Low72.7Confident98 Ų9883.1 Ų83.146%0.45847%0.466SS..G310 helixtrans-45.8-33.8167.7165.1144.4-134.200113.3S82 K104 L106S82-E84 PolarHBondContact O-N 3.36Å; E84-K104 VanDerWaalsContact CD-CE 3.41Å; E84-K104 WeakPolarHBondContact OE1-CE 3.36Å; E84-K104 IonicContact OE1-NZ 2.63Å; E84-K104 PolarHBondContact OE1-NZ 3.43Å; E84-L106 WeakPolarHBondContact OE1-CD1 3.41Å
85E61.2Low72.1Confident173 Ų17385.1 Ų85.181%0.80848%0.477SS*.G310 helixtrans-83.4-21.9176.5-66.8-173.1173.300114.2S82 L83S82-E85 PolarHBondContact O-N 3.49Å; L83-E85 PolarHBondContact O-N 3.48Å; L83-E85 VanDerWaalsContact O-N 3.14Å
86Q60.1Low72Confident153 Ų15386.9 Ų86.972%0.71549%0.488SS*.THydrogen-bonded Turntrans-89.6-19.3-179.5-77.8-175.5-36.500113.5L83 V88L83-Q86 PolarHBondContact O-N 2.96Å; Q86-V88 PolarHBondContact O-N 2.94Å
87L62Low71.6Confident23 Ų2384.9 Ų84.912%0.1247%0.474CS..  trans-84.290.2175.3-84.776.4000109.2L83 T89 E94 L97L83-L87 HydrophobicContact CB-CD1 4.18Å; L83-L87 HydrophobicContact CD2-CD1 3.63Å; L83-L87 HydrophobicContact CG-CD1 3.77Å; L83-L87 WeakPolarHBondContact O-CD1 3.16Å; L83-L87 PolarHBondContact O-N 3.24Å; L83-L87 VanDerWaalsContact O-N 3.12Å; L87-T89 PolarHBondContact O-N 2.96Å; L87-E94 HydrophobicContact CD2-CB 4.31Å; L87-E94 HydrophobicContact CD2-CG 4.28Å; L87-E94 HydrophobicContact CG-CB 4.37Å; L87-L97 HydrophobicContact CD2-CD1 4.41Å
88V61Low71.1Confident91 Ų9184.1 Ų84.155%0.55247%0.466SS*.  trans-72.5120170.5-1790000108.4Q86 C90 H91 E94Q86-V88 PolarHBondContact O-N 2.94Å; V88-C90 PolarHBondContact O-N 3.2Å; V88-H91 HydrophobicContact CB-CB 4.47Å; V88-H91 HydrophobicContact CG1-CB 4.29Å; V88-H91 PolarHBondContact O-N 3.01Å; V88-H91 VanDerWaalsContact O-O 3.13Å; V88-E94 VanDerWaalsContact C-OE2 3.25Å; V88-E94 VanDerWaalsContact O-OE2 3.12Å
89T65Low71.1Confident104 Ų10484.9 Ų84.964%0.63847%0.47SS*.THydrogen-bonded Turntrans-49.2127.2176.946.90000110.5L87 H91 E94L87-T89 PolarHBondContact O-N 2.96Å; T89-H91 VanDerWaalsContact C-N 3.29Å; T89-H91 PolarHBondContact O-N 3.47Å; T89-E94 VanDerWaalsContact CA-OE2 3.22Å; T89-E94 WeakPolarHBondContact CA-OE2 3.44Å; T89-E94 PolarHBondContact N-OE2 2.9Å
90C66.8Low71.2Confident46 Ų4684.1 Ų84.131%0.31145%0.453SS..THydrogen-bonded Turntrans70.29.8179.2-49.30000117.3V88 C285V88-C90 PolarHBondContact O-N 3.2Å; C90-C285 WeakPolarHBondContact CA-SG 3.45Å; C90-C285 HydrophobicContact CB-CB 3.98Å; C90-C285 WeakPolarHBondContact CB-SG 3.48Å; C90-C285 WeakPolarHBondContact SG-CB 3.14Å; C90-C285 PolarHBondContact SG-O 3.26Å; C90-C285 CovalentContact SG-SG 2Å; C90-C285 PolarHBondContact SG-SG 3.37Å
91H72.1Confident70.8Confident145 Ų14578.3 Ų78.367%0.67142%0.418SS*.SBendtrans-139.1157.8178.8-135.948.5000114.3V88 T89V88-H91 HydrophobicContact CB-CB 4.47Å; V88-H91 HydrophobicContact CG1-CB 4.29Å; V88-H91 PolarHBondContact O-N 3.01Å; V88-H91 VanDerWaalsContact O-O 3.13Å; T89-H91 VanDerWaalsContact C-N 3.29Å; T89-H91 PolarHBondContact O-N 3.47Å
92G74.3Confident71.1Confident53 Ų5377 Ų7755%0.54641%0.407SS..THydrogen-bonded Turntrans65-136.7176.900000114.3E94G92-E94 VanDerWaalsContact C-N 3.29Å; G92-E94 PolarHBondContact O-N 3.2Å
93W75.2Confident71.4Confident196 Ų19674.7 Ų74.774%0.74239%0.386SS*.Hα-helixtrans-70.6-20.5-174.3-69.4102.6000114L95 I96 L97W93-L95 VanDerWaalsContact C-N 3.26Å; W93-L95 PolarHBondContact O-N 3.3Å; W93-I96 HydrophobicContact CE3-CD1 3.93Å; W93-I96 HydrophobicContact CZ3-CD1 3.99Å; W93-I96 PolarHBondContact O-N 3.33Å; W93-L97 HydrophobicContact CB-CD1 4.32Å; W93-L97 WeakPolarHBondContact O-CB 3.24Å; W93-L97 VanDerWaalsContact O-CG 3.31Å; W93-L97 WeakPolarHBondContact O-CG 3.44Å; W93-L97 PolarHBondContact O-N 3.44Å
94E74.3Confident71.5Confident35 Ų3573.9 Ų73.916%0.16438%0.38CS..Hα-helixtrans-62.4-34.4178.9-172176.1170.300111.8L87 V88 T89 G92 I96 L97 S98L87-E94 HydrophobicContact CD2-CB 4.31Å; L87-E94 HydrophobicContact CD2-CG 4.28Å; L87-E94 HydrophobicContact CG-CB 4.37Å; V88-E94 VanDerWaalsContact C-OE2 3.25Å; V88-E94 VanDerWaalsContact O-OE2 3.12Å; T89-E94 VanDerWaalsContact CA-OE2 3.22Å; T89-E94 WeakPolarHBondContact CA-OE2 3.44Å; T89-E94 PolarHBondContact N-OE2 2.9Å; G92-E94 VanDerWaalsContact C-N 3.29Å; G92-E94 PolarHBondContact O-N 3.2Å; E94-I96 PolarHBondContact O-N 3.27Å; E94-L97 PolarHBondContact O-N 2.89Å; E94-S98 WeakPolarHBondContact O-CA 3.47Å; E94-S98 WeakPolarHBondContact O-CB 3.41Å; E94-S98 PolarHBondContact O-N 2.87Å
95L72.9Confident71.4Confident64 Ų6470.1 Ų70.134%0.33537%0.365SS..Hα-helixtrans-56.8-50.1174166.366000111.4W93 L99 W259 P260W93-L95 VanDerWaalsContact C-N 3.26Å; W93-L95 PolarHBondContact O-N 3.3Å; L95-L99 VanDerWaalsContact O-CB 3.28Å; L95-L99 WeakPolarHBondContact O-CB 3.32Å; L95-L99 PolarHBondContact O-N 2.79Å; L95-W259 HydrophobicContact CB-CZ2 4.3Å; L95-W259 HydrophobicContact CD1-CH2 3.48Å; L95-W259 VanDerWaalsContact CD1-CH2 3.48Å; L95-W259 HydrophobicContact CD1-CZ2 3.07Å; L95-W259 HydrophobicContact CD1-CZ3 4.45Å; L95-W259 HydrophobicContact CG-CZ2 4.23Å; L95-P260 HydrophobicContact CD1-CB 4.43Å; L95-P260 HydrophobicContact CD1-CG 3.81Å
96I80.6Confident71.1Confident82 Ų8266.7 Ų66.742%0.42135%0.352SS..Hα-helixtrans-69.3-46.3-176.4-63170.8000109.6W93 E94 L99 L100W93-I96 HydrophobicContact CE3-CD1 3.93Å; W93-I96 HydrophobicContact CZ3-CD1 3.99Å; W93-I96 PolarHBondContact O-N 3.33Å; E94-I96 PolarHBondContact O-N 3.27Å; I96-L99 PolarHBondContact O-N 2.81Å; I96-L100 HydrophobicContact CG2-CD1 3.93Å; I96-L100 WeakPolarHBondContact O-CD1 3.49Å; I96-L100 PolarHBondContact O-N 2.88Å
97L78.3Confident70.9Confident39 Ų3962.8 Ų62.820%0.20435%0.352CS..Hα-helixtrans-61.7-46.3178.5-68.6167.8000111Y74 L87 W93 E94 L99 L100 G101 L102Y74-L97 HydrophobicContact CD2-CD2 4.5Å; Y74-L97 HydrophobicContact CE2-CD1 4.11Å; Y74-L97 HydrophobicContact CE2-CD2 4.36Å; L87-L97 HydrophobicContact CD2-CD1 4.41Å; W93-L97 HydrophobicContact CB-CD1 4.32Å; W93-L97 WeakPolarHBondContact O-CB 3.24Å; W93-L97 VanDerWaalsContact O-CG 3.31Å; W93-L97 WeakPolarHBondContact O-CG 3.44Å; W93-L97 PolarHBondContact O-N 3.44Å; E94-L97 PolarHBondContact O-N 2.89Å; L97-L99 VanDerWaalsContact C-N 3.34Å; L97-L99 PolarHBondContact O-N 3.35Å; L97-L100 PolarHBondContact O-N 2.9Å; L97-G101 PolarHBondContact O-N 3.49Å; L97-L102 CarbonylContact C-O 3.54Å; L97-L102 VanDerWaalsContact C-O 3.24Å; L97-L102 HydrophobicContact CB-CB 4.2Å; L97-L102 HydrophobicContact CD2-CB 4.22Å; L97-L102 HydrophobicContact CD2-CD1 3.8Å; L97-L102 PolarHBondContact O-N 3.19Å
98S74.5Confident70.7Confident28 Ų2862.2 Ų62.220%0.19635%0.352CS..Hα-helixtrans-59.7-43176-178.40000111.8E94 L100 G101E94-S98 WeakPolarHBondContact O-CA 3.47Å; E94-S98 WeakPolarHBondContact O-CB 3.41Å; E94-S98 PolarHBondContact O-N 2.87Å; S98-L100 PolarHBondContact O-N 2.94Å; S98-G101 WeakPolarHBondContact O-CA 3.16Å; S98-G101 PolarHBondContact O-N 2.9Å
99L80.4Confident71Confident47 Ų4760.2 Ų60.225%0.24635%0.35CS..Hα-helixtrans-64.1-40.4177-172.666.4000112.6L26 L95 I96 L97 G101 L258 P260L26-L99 WeakPolarHBondContact CB-O 3.45Å; L26-L99 HydrophobicContact CD1-CD1 4.44Å; L26-L99 HydrophobicContact CD1-CD2 3.76Å; L26-L99 HydrophobicContact CD1-CG 3.6Å; L26-L99 HydrophobicContact CG-CD1 4.26Å; L26-L99 HydrophobicContact CG-CD2 4.46Å; L26-L99 HydrophobicContact CG-CG 3.86Å; L26-L99 WeakPolarHBondContact CG-O 3.37Å; L26-L99 PolarHBondContact N-O 2.73Å; L95-L99 VanDerWaalsContact O-CB 3.28Å; L95-L99 WeakPolarHBondContact O-CB 3.32Å; L95-L99 PolarHBondContact O-N 2.79Å; I96-L99 PolarHBondContact O-N 2.81Å; L97-L99 VanDerWaalsContact C-N 3.34Å; L97-L99 PolarHBondContact O-N 3.35Å; L99-G101 PolarHBondContact O-N 3.46Å; L99-L258 HydrophobicContact CD1-CB 4.18Å; L99-L258 HydrophobicContact CD1-CD1 3.83Å; L99-L258 HydrophobicContact CD1-CD2 4.24Å; L99-L258 HydrophobicContact CD1-CG 4.31Å; L99-P260 HydrophobicContact CD1-CG 4.16Å
100L83.3Confident71.5Confident72 Ų7259.1 Ų59.138%0.37735%0.351SS..Hα-helixtrans-63.2-28.7172.1-93.372.4000111L27 I96 L97 S98L27-L100 VanDerWaalsContact CD1-O 3.23Å; L27-L100 WeakPolarHBondContact CD1-O 3.39Å; L27-L100 WeakPolarHBondContact CG-O 3.35Å; L27-L100 PolarHBondContact N-O 3.38Å; I96-L100 HydrophobicContact CG2-CD1 3.93Å; I96-L100 WeakPolarHBondContact O-CD1 3.49Å; I96-L100 PolarHBondContact O-N 2.88Å; L97-L100 PolarHBondContact O-N 2.9Å; S98-L100 PolarHBondContact O-N 2.94Å
101G77.5Confident72.1Confident0 Ų062.6 Ų62.60%037%0.371CS..THydrogen-bonded Turntrans91.240.6-169.800000111.4R23 Q71 L97 S98 L99R23-G101 VanDerWaalsContact CZ-CA 3.47Å; R23-G101 PolarHBondContact NH1-O 3.07Å; R23-G101 VanDerWaalsContact NH2-CA 3.32Å; R23-G101 PolarHBondContact NH2-O 3.42Å; Q71-G101 PolarHBondContact NE2-O 2.89Å; L97-G101 PolarHBondContact O-N 3.49Å; S98-G101 WeakPolarHBondContact O-CA 3.16Å; S98-G101 PolarHBondContact O-N 2.9Å; L99-G101 PolarHBondContact O-N 3.46Å
102L77.4Confident72.1Confident18 Ų1857.5 Ų57.59%0.09435%0.347CS..  trans-114.592.8165.2-62.4177.5000105.8Y74 L97Y74-L102 HydrophobicContact CD1-CB 3.99Å; Y74-L102 HydrophobicContact CD1-CD2 4.36Å; Y74-L102 HydrophobicContact CD2-CB 3.81Å; Y74-L102 HydrophobicContact CD2-CD1 4.18Å; Y74-L102 HydrophobicContact CD2-CG 4.43Å; Y74-L102 HydrophobicContact CE1-CB 4.15Å; Y74-L102 HydrophobicContact CE2-CB 3.98Å; Y74-L102 HydrophobicContact CG-CB 3.82Å; Y74-L102 HydrophobicContact CG-CD1 4.34Å; Y74-L102 HydrophobicContact CG-CD2 4.03Å; Y74-L102 HydrophobicContact CG-CG 4.27Å; L97-L102 CarbonylContact C-O 3.54Å; L97-L102 VanDerWaalsContact C-O 3.24Å; L97-L102 HydrophobicContact CB-CB 4.2Å; L97-L102 HydrophobicContact CD2-CB 4.22Å; L97-L102 HydrophobicContact CD2-CD1 3.8Å; L97-L102 PolarHBondContact O-N 3.19Å
103Q72.3Confident72.2Confident49 Ų4959.9 Ų59.923%0.22934%0.34CS..  trans-116.8139.8-173.6-174.4167.37.400109.9S105 P289Q103-S105 PolarHBondContact O-N 3.03Å; Q103-P289 VanDerWaalsContact NE2-CB 3.28Å
104K67.5Low72.5Confident35 Ų3554.4 Ų54.415%0.15233%0.329CS..  trans-65.5118.3171.8-170.4-178-174-156.50109L78 E84 L106L78-K104 HydrophobicContact CD2-CB 4.48Å; L78-K104 HydrophobicContact CD2-CG 3.94Å; E84-K104 VanDerWaalsContact CD-CE 3.41Å; E84-K104 WeakPolarHBondContact OE1-CE 3.36Å; E84-K104 IonicContact OE1-NZ 2.63Å; E84-K104 PolarHBondContact OE1-NZ 3.43Å; K104-L106 HydrophobicContact CD-CD1 4.39Å; K104-L106 HydrophobicContact CG-CB 4.37Å; K104-L106 PolarHBondContact O-N 3.48Å
105S62.8Low72.8Confident20 Ų2054.9 Ų54.914%0.1433%0.329CS..  trans-81.770.1177.3-172.90000110.1Q103 Y113Q103-S105 PolarHBondContact O-N 3.03Å; S105-Y113 VanDerWaalsContact CB-CZ 3.5Å; S105-Y113 WeakPolarHBondContact CB-OH 3.3Å; S105-Y113 PolarHBondContact O-OH 2.97Å; S105-Y113 WeakPolarHBondContact OG-CD2 3.49Å; S105-Y113 WeakPolarHBondContact OG-CE2 3.49Å; S105-Y113 PolarHBondContact OG-OH 3.22Å
106L54.3Low73Confident101 Ų10152.8 Ų52.853%0.52932%0.317SS..  trans-90.4109.6179.1-153.978.9000109.9E84 K104 G108E84-L106 WeakPolarHBondContact OE1-CD1 3.41Å; K104-L106 HydrophobicContact CD-CD1 4.39Å; K104-L106 HydrophobicContact CG-CB 4.37Å; K104-L106 PolarHBondContact O-N 3.48Å; L106-G108 PolarHBondContact O-N 3.09Å
107G56.3Low73.2Confident70 Ų7051.4 Ų51.472%0.72231%0.308SS*.SBendtrans84.3-1.3166.900000117.5
108G58.3Low73.6Confident12 Ų1253.6 Ų53.612%0.12432%0.32CS..  trans-73.5135.4176.200000113.7L106 E112L106-G108 PolarHBondContact O-N 3.09Å; G108-E112 WeakPolarHBondContact CA-OE2 3.23Å
109G67.4Low74.3Confident49 Ų4952.4 Ų52.451%0.50531%0.311SS..  trans-59.9170.7171.400000112.7V111 E112G109-V111 PolarHBondContact O-N 3.41Å; G109-E112 PolarHBondContact O-N 3.47Å
110A75.8Confident74.8Confident80 Ų8050.4 Ų50.466%0.66130%0.301SS*.Hα-helixtrans-51-27.4-18000000113.8V114A110-V114 VanDerWaalsContact O-CG2 3.27Å; A110-V114 WeakPolarHBondContact O-CG2 3.47Å; A110-V114 PolarHBondContact O-N 3.17Å
111V77.8Confident75.3Confident120 Ų12050.9 Ų50.973%0.72730%0.303SS*.Hα-helixtrans-64.4-40.4177.1-178.40000112.5G109 V114 R115G109-V111 PolarHBondContact O-N 3.41Å; V111-V114 PolarHBondContact O-N 3.09Å; V111-R115 WeakPolarHBondContact O-CB 3.38Å; V111-R115 PolarHBondContact O-N 3.48Å
112E73.7Confident76Confident38 Ų3852.5 Ų52.518%0.17832%0.316CS..Hα-helixtrans-70.9-41.8179.7-68.6-175.1-173.800110.9G108 G109 V114 R115 F116G108-E112 WeakPolarHBondContact CA-OE2 3.23Å; G109-E112 PolarHBondContact O-N 3.47Å; E112-V114 PolarHBondContact O-N 3.06Å; E112-R115 WeakPolarHBondContact O-CB 3.35Å; E112-R115 PolarHBondContact O-N 2.74Å; E112-F116 HydrophobicContact CB-CD2 4.48Å; E112-F116 WeakPolarHBondContact O-CD2 3.31Å; E112-F116 PolarHBondContact O-N 3.25Å
113Y75.1Confident76.7Confident102 Ų10251.7 Ų51.740%0.431%0.312SS..Hα-helixtrans-53.8-53.5170.2-88.5-86.1000110.8S105 R115 F116 F117S105-Y113 VanDerWaalsContact CB-CZ 3.5Å; S105-Y113 WeakPolarHBondContact CB-OH 3.3Å; S105-Y113 PolarHBondContact O-OH 2.97Å; S105-Y113 WeakPolarHBondContact OG-CD2 3.49Å; S105-Y113 WeakPolarHBondContact OG-CE2 3.49Å; S105-Y113 PolarHBondContact OG-OH 3.22Å; Y113-R115 VanDerWaalsContact C-N 3.33Å; Y113-R115 PolarHBondContact O-N 3.09Å; Y113-F116 PolarHBondContact O-N 2.93Å; Y113-F117 HydrophobicContact CD1-CD2 4.27Å; Y113-F117 AromaticContact CD1-CE2 3.7Å; Y113-F117 HydrophobicContact CD1-CE2 3.7Å; Y113-F117 HydrophobicContact CE1-CE2 4.22Å; Y113-F117 VanDerWaalsContact O-CD2 3.22Å; Y113-F117 WeakPolarHBondContact O-CD2 3.08Å; Y113-F117 PolarHBondContact O-N 3.29Å; Y113-F117 VanDerWaalsContact O-N 3.13Å
114V81.2Confident77.8Confident82 Ų8252.3 Ų52.350%0.49731%0.314SS..Hα-helixtrans-58.4-45.7177.9172.70000110.9A110 V111 E112 F116 F117 L118A110-V114 VanDerWaalsContact O-CG2 3.27Å; A110-V114 WeakPolarHBondContact O-CG2 3.47Å; A110-V114 PolarHBondContact O-N 3.17Å; V111-V114 PolarHBondContact O-N 3.09Å; E112-V114 PolarHBondContact O-N 3.06Å; V114-F116 VanDerWaalsContact C-N 3.27Å; V114-F116 PolarHBondContact O-N 3.48Å; V114-F117 PolarHBondContact O-N 3.46Å; V114-L118 HydrophobicContact CG1-CB 4.09Å; V114-L118 HydrophobicContact CG1-CD2 3.94Å; V114-L118 HydrophobicContact CG1-CG 4.49Å; V114-L118 WeakPolarHBondContact O-CB 3.39Å; V114-L118 PolarHBondContact O-N 3.04Å
115R81.1Confident79.1Confident44 Ų4455.1 Ų55.117%0.16633%0.33CS..Hα-helixtrans-57.9-37.4179-174.4-17668.3-165.1-1.8112.9L22 V111 E112 Y113 P119 P289L22-R115 HydrophobicContact CB-CG 4.37Å; L22-R115 HydrophobicContact CD2-CG 4.48Å; L22-R115 WeakPolarHBondContact O-CD 3.41Å; L22-R115 WeakPolarHBondContact O-CG 3.34Å; V111-R115 WeakPolarHBondContact O-CB 3.38Å; V111-R115 PolarHBondContact O-N 3.48Å; E112-R115 WeakPolarHBondContact O-CB 3.35Å; E112-R115 PolarHBondContact O-N 2.74Å; Y113-R115 VanDerWaalsContact C-N 3.33Å; Y113-R115 PolarHBondContact O-N 3.09Å; R115-P119 WeakPolarHBondContact O-CD 3.45Å; R115-P119 WeakPolarHBondContact O-CG 3.39Å; R115-P289 PolarHBondContact NH2-O 2.97Å
116F78.5Confident80.6Confident20 Ų2055.4 Ų55.49%0.08833%0.331CS..Hα-helixtrans-78.3-39.5-177.1-80.3-62.2000113.8R23 E112 Y113 V114 P289R23-F116 HydrophobicContact CG-CD1 3.97Å; R23-F116 HydrophobicContact CG-CE1 4.03Å; R23-F116 VanDerWaalsContact NE-CD1 3.33Å; E112-F116 HydrophobicContact CB-CD2 4.48Å; E112-F116 WeakPolarHBondContact O-CD2 3.31Å; E112-F116 PolarHBondContact O-N 3.25Å; Y113-F116 PolarHBondContact O-N 2.93Å; V114-F116 VanDerWaalsContact C-N 3.27Å; V114-F116 PolarHBondContact O-N 3.48Å; F116-P289 HydrophobicContact CE2-CB 4.48Å; F116-P289 HydrophobicContact CZ-CB 4.24Å
117F83.8Confident82.5Confident53 Ų5350.6 Ų50.623%0.23231%0.306CS..Hα-helixtrans-95.4-31.3-175.6-68.2-79.6000114.5Q71 H75 Y113 V114 P119 D120 I121Q71-F117 HydrophobicContact CB-CD1 4.31Å; Q71-F117 HydrophobicContact CB-CE1 4.11Å; H75-F117 AromaticContact CD2-CE1 3.59Å; H75-F117 AromaticContact CD2-CZ 3.33Å; H75-F117 WeakPolarHBondContact CD2-CZ 3.33Å; H75-F117 AromaticContact CE1-CZ 3.76Å; H75-F117 AromaticContact CG-CZ 3.94Å; H75-F117 AromaticContact NE2-CE1 3.82Å; H75-F117 AromaticContact NE2-CZ 3.22Å; H75-F117 WeakPolarHBondContact NE2-CZ 3.39Å; Y113-F117 HydrophobicContact CD1-CD2 4.27Å; Y113-F117 AromaticContact CD1-CE2 3.7Å; Y113-F117 HydrophobicContact CD1-CE2 3.7Å; Y113-F117 HydrophobicContact CE1-CE2 4.22Å; Y113-F117 VanDerWaalsContact O-CD2 3.22Å; Y113-F117 WeakPolarHBondContact O-CD2 3.08Å; Y113-F117 PolarHBondContact O-N 3.29Å; Y113-F117 VanDerWaalsContact O-N 3.13Å; V114-F117 PolarHBondContact O-N 3.46Å; F117-P119 VanDerWaalsContact C-CD 3.44Å; F117-D120 PolarHBondContact O-N 3.36Å; F117-I121 HydrophobicContact CB-CD1 4.3Å; F117-I121 WeakPolarHBondContact O-CG1 2.96Å; F117-I121 PolarHBondContact O-N 3.34Å
118L87.4Confident84.3Confident86 Ų8650.2 Ų50.245%0.4529%0.287SS..Hα-helixtrans-56.8-41.5-175.5-175.471.5000113.5L22 V114 D120 A122L22-L118 HydrophobicContact CD1-CD2 4.49Å; V114-L118 HydrophobicContact CG1-CB 4.09Å; V114-L118 HydrophobicContact CG1-CD2 3.94Å; V114-L118 HydrophobicContact CG1-CG 4.49Å; V114-L118 WeakPolarHBondContact O-CB 3.39Å; V114-L118 PolarHBondContact O-N 3.04Å; L118-D120 PolarHBondContact O-N 2.94Å; L118-A122 WeakPolarHBondContact O-CB 3.47Å; L118-A122 PolarHBondContact O-N 3.39Å
119P89.2Confident85.9Confident2 Ų252.7 Ų52.71%0.01330%0.302CS..Hα-helixtrans-51.6-53.2177.4-32.640.1000114A19 L22 R115 F117 A122 V123A19-P119 HydrophobicContact CB-CB 3.84Å; L22-P119 HydrophobicContact CB-CG 3.84Å; L22-P119 HydrophobicContact CD1-CG 3.9Å; R115-P119 WeakPolarHBondContact O-CD 3.45Å; R115-P119 WeakPolarHBondContact O-CG 3.39Å; F117-P119 VanDerWaalsContact C-CD 3.44Å; P119-A122 PolarHBondContact O-N 2.67Å; P119-V123 WeakPolarHBondContact O-CG2 3.31Å; P119-V123 PolarHBondContact O-N 3.04Å
120D90.9Very high87Confident6 Ų650.4 Ų50.43%0.03228%0.278CS..Hα-helixtrans-67.7-45.1-173.9-70.1-42.3000111.2Y31 A67 V68 Q71 F117 L118 F124Y31-D120 WeakPolarHBondContact CE2-OD1 3.2Å; Y31-D120 PolarHBondContact OH-OD1 2.92Å; A67-D120 WeakPolarHBondContact CB-OD1 3.31Å; V68-D120 HydrophobicContact CG2-CB 3.74Å; Q71-D120 WeakPolarHBondContact CG-OD2 3.37Å; F117-D120 PolarHBondContact O-N 3.36Å; L118-D120 PolarHBondContact O-N 2.94Å; D120-F124 VanDerWaalsContact O-CB 3.31Å; D120-F124 WeakPolarHBondContact O-CB 3.49Å; D120-F124 PolarHBondContact O-N 3.47Å
121I92Very high87.6Confident81 Ų8147.3 Ų47.342%0.41525%0.251SS..Hα-helixtrans-64.4-42.9178.4-61.4171.3000110.4F117 F124 L125F117-I121 HydrophobicContact CB-CD1 4.3Å; F117-I121 WeakPolarHBondContact O-CG1 2.96Å; F117-I121 PolarHBondContact O-N 3.34Å; I121-F124 PolarHBondContact O-N 2.83Å; I121-L125 HydrophobicContact CG2-CD1 3.99Å; I121-L125 HydrophobicContact CG2-CG 4.34Å; I121-L125 VanDerWaalsContact O-CG 3.31Å; I121-L125 WeakPolarHBondContact O-CG 3.49Å; I121-L125 PolarHBondContact O-N 2.86Å
122A92.5Very high88.2Confident34 Ų3445.5 Ų45.528%0.28124%0.236SC..Hα-helixtrans-63.5-47.1-179.800000111.8L118 P119 F124 L125 V126L118-A122 WeakPolarHBondContact O-CB 3.47Å; L118-A122 PolarHBondContact O-N 3.39Å; P119-A122 PolarHBondContact O-N 2.67Å; A122-F124 VanDerWaalsContact C-N 3.34Å; A122-F124 PolarHBondContact O-N 2.9Å; A122-L125 PolarHBondContact O-N 3.43Å; A122-V126 WeakPolarHBondContact O-CB 3.45Å; A122-V126 VanDerWaalsContact O-CG2 3.3Å; A122-V126 WeakPolarHBondContact O-CG2 3.13Å; A122-V126 PolarHBondContact O-N 3.47Å
123V93.9Very high88.9Confident2 Ų245.9 Ų45.91%0.01224%0.239CC..Hα-helixtrans-65.5-39.2178.1177.90000111L16 A19 Y31 P119 V126 S127L16-V123 HydrophobicContact CD2-CG1 3.96Å; L16-V123 HydrophobicContact CD2-CG2 4.25Å; A19-V123 HydrophobicContact CB-CG2 3.47Å; A19-V123 VanDerWaalsContact CB-CG2 3.47Å; Y31-V123 HydrophobicContact CD1-CG1 4.03Å; Y31-V123 HydrophobicContact CD1-CG2 4.29Å; Y31-V123 HydrophobicContact CE1-CB 4.08Å; Y31-V123 HydrophobicContact CE1-CG1 3.69Å; Y31-V123 HydrophobicContact CE1-CG2 4.25Å; P119-V123 WeakPolarHBondContact O-CG2 3.31Å; P119-V123 PolarHBondContact O-N 3.04Å; V123-V126 PolarHBondContact O-N 3.07Å; V123-S127 VanDerWaalsContact O-CB 3.23Å; V123-S127 WeakPolarHBondContact O-CB 3.38Å; V123-S127 PolarHBondContact O-N 3.47Å; V123-S127 PolarHBondContact O-OG 3.4Å
124F95Very high89.3Confident62 Ų6241.6 Ų41.627%0.27223%0.225SC..Hα-helixtrans-59.3-49.7174.3175.9-100.6000111.9L61 S64 V68 D120 I121 A122 V126 S127 L128L61-F124 HydrophobicContact CD1-CD2 3.81Å; L61-F124 HydrophobicContact CD1-CE2 3.8Å; S64-F124 WeakPolarHBondContact OG-CA 3.31Å; V68-F124 HydrophobicContact CG2-CB 4.2Å; D120-F124 VanDerWaalsContact O-CB 3.31Å; D120-F124 WeakPolarHBondContact O-CB 3.49Å; D120-F124 PolarHBondContact O-N 3.47Å; I121-F124 PolarHBondContact O-N 2.83Å; A122-F124 VanDerWaalsContact C-N 3.34Å; A122-F124 PolarHBondContact O-N 2.9Å; F124-V126 PolarHBondContact O-N 2.91Å; F124-S127 PolarHBondContact O-N 3.09Å; F124-S127 PolarHBondContact O-OG 2.93Å; F124-L128 HydrophobicContact CE1-CD2 4.18Å; F124-L128 HydrophobicContact CZ-CD2 4.31Å; F124-L128 WeakPolarHBondContact O-CB 3.47Å; F124-L128 PolarHBondContact O-N 2.91Å
125L95.2Very high89.5Confident93 Ų9343.9 Ų43.949%0.48723%0.228SC..Hα-helixtrans-64-43.5179.5-69.8176.2000112.2I121 A122 L128 C129I121-L125 HydrophobicContact CG2-CD1 3.99Å; I121-L125 HydrophobicContact CG2-CG 4.34Å; I121-L125 VanDerWaalsContact O-CG 3.31Å; I121-L125 WeakPolarHBondContact O-CG 3.49Å; I121-L125 PolarHBondContact O-N 2.86Å; A122-L125 PolarHBondContact O-N 3.43Å; L125-L128 PolarHBondContact O-N 3.34Å; L125-C129 VanDerWaalsContact O-CB 3.29Å; L125-C129 WeakPolarHBondContact O-CB 3.18Å; L125-C129 PolarHBondContact O-N 2.9Å; L125-C129 PolarHBondContact O-SG 2.84Å
126V93.9Very high89.7Confident26 Ų2647 Ų4716%0.15825%0.246CC..Hα-helixtrans-68.3-41.1-179.5172.50000111.6V11 F12 A15 A122 V123 F124 S130V11-V126 HydrophobicContact CG1-CG1 3.94Å; V11-V126 HydrophobicContact CG1-CG2 4.16Å; F12-V126 HydrophobicContact CB-CG1 4.41Å; F12-V126 HydrophobicContact CD2-CG1 4.07Å; A15-V126 HydrophobicContact CB-CB 4.17Å; A15-V126 HydrophobicContact CB-CG1 4.11Å; A15-V126 HydrophobicContact CB-CG2 3.97Å; A122-V126 WeakPolarHBondContact O-CB 3.45Å; A122-V126 VanDerWaalsContact O-CG2 3.3Å; A122-V126 WeakPolarHBondContact O-CG2 3.13Å; A122-V126 PolarHBondContact O-N 3.47Å; V123-V126 PolarHBondContact O-N 3.07Å; F124-V126 PolarHBondContact O-N 2.91Å; V126-S130 WeakPolarHBondContact O-CB 3.45Å; V126-S130 PolarHBondContact O-N 3.35Å; V126-S130 PolarHBondContact O-OG 2.8Å
127S93.1Very high89.7Confident0 Ų047.8 Ų47.80%025%0.254CS..Hα-helixtrans-67.4-40.8175.861.30000111.8L61 S64 V123 F124 S130 V131L61-S127 WeakPolarHBondContact CA-OG 3.45Å; L61-S127 VanDerWaalsContact CD1-OG 3.31Å; L61-S127 WeakPolarHBondContact CD1-OG 3.32Å; S64-S127 PolarHBondContact OG-OG 3.24Å; V123-S127 VanDerWaalsContact O-CB 3.23Å; V123-S127 WeakPolarHBondContact O-CB 3.38Å; V123-S127 PolarHBondContact O-N 3.47Å; V123-S127 PolarHBondContact O-OG 3.4Å; F124-S127 PolarHBondContact O-N 3.09Å; F124-S127 PolarHBondContact O-OG 2.93Å; S127-S130 WeakPolarHBondContact O-CB 3.27Å; S127-S130 PolarHBondContact O-N 2.88Å; S127-V131 WeakPolarHBondContact O-CG2 3.43Å; S127-V131 PolarHBondContact O-N 3.36Å
128L94.5Very high89.2Confident62 Ų6246.7 Ų46.733%0.32526%0.255SS..Hα-helixtrans-61.4-49174.4-179.662.3000111.3L61 F124 L125 S130 V131 I132L61-L128 HydrophobicContact CD1-CB 3.99Å; L61-L128 HydrophobicContact CD2-CD1 4.43Å; F124-L128 HydrophobicContact CE1-CD2 4.18Å; F124-L128 HydrophobicContact CZ-CD2 4.31Å; F124-L128 WeakPolarHBondContact O-CB 3.47Å; F124-L128 PolarHBondContact O-N 2.91Å; L125-L128 PolarHBondContact O-N 3.34Å; L128-S130 VanDerWaalsContact C-N 3.3Å; L128-S130 PolarHBondContact O-N 3.29Å; L128-V131 PolarHBondContact O-N 2.91Å; L128-I132 HydrophobicContact CD1-CD1 4.09Å; L128-I132 HydrophobicContact CD1-CG1 4.41Å; L128-I132 HydrophobicContact CG-CD1 3.89Å; L128-I132 VanDerWaalsContact O-CG1 3.3Å; L128-I132 WeakPolarHBondContact O-CG1 3.37Å; L128-I132 PolarHBondContact O-N 3.41Å
129C92.8Very high88.3Confident65 Ų6548.5 Ų48.544%0.43926%0.261SS..Hα-helixtrans-56.2-44174.3-77.40000111.7L125 V131 I132 L133L125-C129 VanDerWaalsContact O-CB 3.29Å; L125-C129 WeakPolarHBondContact O-CB 3.18Å; L125-C129 PolarHBondContact O-N 2.9Å; L125-C129 PolarHBondContact O-SG 2.84Å; C129-V131 PolarHBondContact O-N 3.42Å; C129-I132 PolarHBondContact O-N 3.27Å; C129-L133 WeakPolarHBondContact O-CB 3.47Å; C129-L133 VanDerWaalsContact O-CG 3.24Å; C129-L133 WeakPolarHBondContact O-CG 3.37Å; C129-L133 PolarHBondContact O-N 3.4Å
130S89.1Confident87.2Confident0 Ų053.2 Ų53.20%029%0.29CS..Hα-helixtrans-61.9-43.3178.4-60.60000112.2F4 C7 V126 S127 L128 A134F4-S130 WeakPolarHBondContact CD2-O 3.39Å; C7-S130 PolarHBondContact SG-OG 3.22Å; C7-S130 VanDerWaalsContact SG-OG 3.33Å; V126-S130 WeakPolarHBondContact O-CB 3.45Å; V126-S130 PolarHBondContact O-N 3.35Å; V126-S130 PolarHBondContact O-OG 2.8Å; S127-S130 WeakPolarHBondContact O-CB 3.27Å; S127-S130 PolarHBondContact O-N 2.88Å; L128-S130 VanDerWaalsContact C-N 3.3Å; L128-S130 PolarHBondContact O-N 3.29Å; S130-A134 WeakPolarHBondContact O-CB 3.4Å; S130-A134 PolarHBondContact O-N 3.06Å
131V89.7Confident85.6Confident15 Ų1556 Ų569%0.09131%0.309CS..Hα-helixtrans-66.1-42.4176.7172.80000111.7F54 V57 V58 L61 S127 L128 C129 A134 K135F54-V131 HydrophobicContact CE2-CG1 4.08Å; F54-V131 HydrophobicContact CZ-CG1 4.29Å; V57-V131 HydrophobicContact CG1-CG2 3.8Å; V58-V131 HydrophobicContact CG2-CG2 4.04Å; L61-V131 HydrophobicContact CD2-CB 4.42Å; L61-V131 HydrophobicContact CD2-CG2 3.97Å; S127-V131 WeakPolarHBondContact O-CG2 3.43Å; S127-V131 PolarHBondContact O-N 3.36Å; L128-V131 PolarHBondContact O-N 2.91Å; C129-V131 PolarHBondContact O-N 3.42Å; V131-A134 PolarHBondContact O-N 2.89Å; V131-K135 PolarHBondContact O-N 3.4Å
132I90.8Very high83.9Confident82 Ų8256.3 Ų56.342%0.42132%0.319SS..Hα-helixtrans-61.5-48.5177-67.6167000110L128 C129 A134 K135 M136L128-I132 HydrophobicContact CD1-CD1 4.09Å; L128-I132 HydrophobicContact CD1-CG1 4.41Å; L128-I132 HydrophobicContact CG-CD1 3.89Å; L128-I132 VanDerWaalsContact O-CG1 3.3Å; L128-I132 WeakPolarHBondContact O-CG1 3.37Å; L128-I132 PolarHBondContact O-N 3.41Å; C129-I132 PolarHBondContact O-N 3.27Å; I132-A134 VanDerWaalsContact C-N 3.31Å; I132-A134 PolarHBondContact O-N 2.99Å; I132-K135 PolarHBondContact O-N 3.05Å; I132-M136 HydrophobicContact CG2-CG 4.25Å; I132-M136 HydrophobicContact CG2-SD 3.87Å; I132-M136 WeakPolarHBondContact O-CB 3.44Å; I132-M136 VanDerWaalsContact O-CG 3.3Å; I132-M136 WeakPolarHBondContact O-CG 3.44Å; I132-M136 PolarHBondContact O-N 3.03Å
133L87.8Confident82Confident46 Ų4660.3 Ų60.324%0.24134%0.336CS..Hα-helixtrans-60.7-39.2177.9-70.9174.2000112.4R3 C7 C129 S137R3-L133 HydrophobicContact CB-CD2 4.23Å; C7-L133 HydrophobicContact CB-CD1 4Å; C129-L133 WeakPolarHBondContact O-CB 3.47Å; C129-L133 VanDerWaalsContact O-CG 3.24Å; C129-L133 WeakPolarHBondContact O-CG 3.37Å; C129-L133 PolarHBondContact O-N 3.4Å; L133-S137 WeakPolarHBondContact O-CB 3.31Å; L133-S137 PolarHBondContact O-N 3.03Å
134A83Confident80Confident13 Ų1363.9 Ų63.911%0.10737%0.365CS..Hα-helixtrans-63.1-46.2175.100000112.1F4 F54 S130 V131 I132 S137 A138F4-A134 HydrophobicContact CD2-CB 3.64Å; F4-A134 HydrophobicContact CE2-CB 3.74Å; F4-A134 HydrophobicContact CG-CB 4.25Å; F4-A134 HydrophobicContact CZ-CB 4.42Å; F54-A134 HydrophobicContact CD2-CB 3.75Å; F54-A134 HydrophobicContact CE2-CB 3.93Å; S130-A134 WeakPolarHBondContact O-CB 3.4Å; S130-A134 PolarHBondContact O-N 3.06Å; V131-A134 PolarHBondContact O-N 2.89Å; I132-A134 VanDerWaalsContact C-N 3.31Å; I132-A134 PolarHBondContact O-N 2.99Å; A134-S137 PolarHBondContact O-N 3.49Å; A134-A138 PolarHBondContact O-N 3.24Å; A134-A138 VanDerWaalsContact O-N 3.08Å
135K85.5Confident77.6Confident129 Ų12967.3 Ų67.356%0.56139%0.386SS*.Hα-helixtrans-65.6-42.2178-78.3-166.9173.2-174.50112.4V131 I132 S137 A138 H139V131-K135 PolarHBondContact O-N 3.4Å; I132-K135 PolarHBondContact O-N 3.05Å; K135-S137 VanDerWaalsContact C-N 3.33Å; K135-S137 PolarHBondContact O-N 3.4Å; K135-A138 PolarHBondContact O-N 2.98Å; K135-H139 PolarHBondContact O-N 2.89Å; K135-H139 VanDerWaalsContact O-N 3.09Å
136M84.5Confident74.8Confident109 Ų10967.5 Ų67.554%0.53740%0.396SS..Hα-helixtrans-60.5-43.9175.7-71.5-179.776.200111.2I132 A138 H139 T140I132-M136 HydrophobicContact CG2-CG 4.25Å; I132-M136 HydrophobicContact CG2-SD 3.87Å; I132-M136 WeakPolarHBondContact O-CB 3.44Å; I132-M136 VanDerWaalsContact O-CG 3.3Å; I132-M136 WeakPolarHBondContact O-CG 3.44Å; I132-M136 PolarHBondContact O-N 3.03Å; M136-A138 VanDerWaalsContact C-N 3.31Å; M136-A138 PolarHBondContact O-N 3.45Å; M136-H139 PolarHBondContact O-N 3.14Å; M136-T140 PolarHBondContact O-N 2.87Å; M136-T140 VanDerWaalsContact O-N 3.14Å; M136-T140 PolarHBondContact O-OG1 2.86Å
137S79.1Confident72.2Confident37 Ų3772 Ų7226%0.25943%0.425SS..Hα-helixtrans-64.2-34.3177.7-172.50000113Q2 L133 A134 K135 S141Q2-S137 PolarHBondContact NE2-OG 2.88Å; L133-S137 WeakPolarHBondContact O-CB 3.31Å; L133-S137 PolarHBondContact O-N 3.03Å; A134-S137 PolarHBondContact O-N 3.49Å; K135-S137 VanDerWaalsContact C-N 3.33Å; K135-S137 PolarHBondContact O-N 3.4Å; S137-S141 PolarHBondContact O-N 3.31Å
138A74.1Confident69.6Low31 Ų3181.5 Ų81.526%0.25647%0.47SS..Hα-helixtrans-69.1-39.2176.200000111.7T49 A134 K135 M136 T140 S141 S142T49-A138 HydrophobicContact CG2-CB 4.38Å; A134-A138 PolarHBondContact O-N 3.24Å; A134-A138 VanDerWaalsContact O-N 3.08Å; K135-A138 PolarHBondContact O-N 2.98Å; M136-A138 VanDerWaalsContact C-N 3.31Å; M136-A138 PolarHBondContact O-N 3.45Å; A138-T140 PolarHBondContact O-N 3.42Å; A138-S141 PolarHBondContact O-N 2.92Å; A138-S142 PolarHBondContact O-N 3.49Å; A138-S142 VanDerWaalsContact O-N 3.12Å
139H68.5Low67Low124 Ų12485.8 Ų85.857%0.57449%0.492SS*.Hα-helixtrans-67.9-34.8178.9-157.7-56.9000112.6K135 M136 N143K135-H139 PolarHBondContact O-N 2.89Å; K135-H139 VanDerWaalsContact O-N 3.09Å; M136-H139 PolarHBondContact O-N 3.14Å; H139-N143 PolarHBondContact O-N 3.49Å
140T65.2Low64.3Low101 Ų10188.4 Ų88.462%0.6251%0.508SS*.Hα-helixtrans-66.9-36.6174.8-51.90000112M136 A138M136-T140 PolarHBondContact O-N 2.87Å; M136-T140 VanDerWaalsContact O-N 3.14Å; M136-T140 PolarHBondContact O-OG1 2.86Å; A138-T140 PolarHBondContact O-N 3.42Å
141S57.7Low61.9Low63 Ų6396 Ų9644%0.44155%0.547SS..Hα-helixtrans-68.8-40.7176.9-160.40000112S137 A138 N143 A144S137-S141 PolarHBondContact O-N 3.31Å; A138-S141 PolarHBondContact O-N 2.92Å; S141-N143 PolarHBondContact O-N 3.37Å; S141-A144 PolarHBondContact O-N 2.87Å
142S55.5Low59.3Low88 Ų88103.8 Ų103.862%0.61558%0.582SS**Hα-helixtrans-66.5-24.5-179.6-168.60000113.8A138A138-S142 PolarHBondContact O-N 3.49Å; A138-S142 VanDerWaalsContact O-N 3.12Å
143N52.9Low56.9Low119 Ų119104.5 Ų104.564%0.63659%0.594SS**THydrogen-bonded Turntrans-86.9-10.9177.6-78.4-6.8000113.4H139 S141H139-N143 PolarHBondContact O-N 3.49Å; S141-N143 PolarHBondContact O-N 3.37Å
144A52.3Low54.8Low76 Ų76109.9 Ų109.963%0.62862%0.623SS**THydrogen-bonded Turntrans-93.3-14.9-18000000113.6S141S141-A144 PolarHBondContact O-N 2.87Å
145D44.9Very low52.4Low134 Ų134115.5 Ų115.572%0.71765%0.651SS**  trans-102.549.3-175-71.8-34.2000113.4
146S35Very low49.9Very low98 Ų98116 Ų11669%0.68566%0.66SS**SBendtrans-111.8139.9167.2-740000110.8
147P39.6Very low47.4Very low120 Ų120120.1 Ų120.178%0.77968%0.675SS**PPolyproline II helix-83.1125.4-125.929.3-34.5000114.1L149P147-L149 PolarHBondContact O-N 2.98Å
148E38.7Very low45.3Very low199 Ų199123 Ų12393%0.9370%0.695SS**PPolyproline II helixtrans-64.4127.2163.6-69.3-170148.800110.1
149L40.7Very low43.2Very low152 Ų152133.8 Ų133.880%0.79673%0.729SS**PPolyproline II helixtrans-52.8147.2178.5-99.781.9000112.8P147 I151P147-L149 PolarHBondContact O-N 2.98Å; L149-I151 PolarHBondContact O-N 3.4Å
150P34.8Very low41.6Very low120 Ų120133.2 Ų133.278%0.77974%0.739SS**  trans-78.7108.7179.332.3-29.8000109.8
151I39.2Very low40.1Very low159 Ų159134.3 Ų134.382%0.81575%0.748SS**  trans-102.2100.9162.9-61.4-175.5000108.2L149 S153L149-I151 PolarHBondContact O-N 3.4Å; I151-S153 PolarHBondContact O-N 2.98Å
152H36.5Very low39.2Very low180 Ų180133.5 Ų133.583%0.83375%0.749SS**  trans-31.8130.2156.2-87.2-90.3000112.2
153S39.2Very low38.6Very low96 Ų96133.3 Ų133.367%0.67175%0.753SS**  trans177.2105.4141.6162.80000111.2I151I151-S153 PolarHBondContact O-N 2.98Å
154L43.4Very low38Very low160 Ų160131.8 Ų131.884%0.83875%0.752SS**  trans67.2106.4131.9-63.5166.7000118.2
155N33.7Very low37.5Very low131 Ų131131.3 Ų131.370%0.70174%0.744SS**  123.2106.6106.5-154.216.9000113.5
156N32.4Very low37.8Very low140 Ų140127.4 Ų127.475%0.74973%0.73SS**  trans20.1129.3136.9-57.1-40.1000116.9
157K31.2Very low38.3Very low195 Ų195132.4 Ų132.485%0.84873%0.734SS**  160.8142.183.6-152.1177.5174.6168.60109.8
158S35.7Very low38.7Very low98 Ų98133.1 Ų133.169%0.68573%0.727SS**  trans9093.8149.4-25.40000118.7
159R30.8Very low39.2Very low257 Ų257128.9 Ų128.997%0.9771%0.71SS**  trans-49130.2137.7-96.1170.1171.8159.7-2.2109.6
160S34.4Very low39.8Very low111 Ų111126.8 Ų126.878%0.77670%0.698SS**  trans-153.7145.3157.5-155.50000110
161P33Very low40.4Very low124 Ų124126.4 Ų126.481%0.80569%0.689SS**  trans-86.8118.1-16132.9-27.9000112
162G39.2Very low40.8Very low46 Ų46123.8 Ų123.847%0.47467%0.674SS.*  trans-122.713.7178.600000115.1S164 S165 A166G162-S164 PolarHBondContact O-N 3.36Å; G162-S165 PolarHBondContact O-N 2.94Å; G162-A166 PolarHBondContact O-N 3.36Å
163A42.8Very low41.2Very low84 Ų84120.7 Ų120.769%0.69466%0.655SS**Hα-helixtrans-65.1-21.4-171.800000114.4
164S41.2Very low41.6Very low87 Ų87119.1 Ų119.161%0.60864%0.638SS**Hα-helixtrans-74.5-47.7176.251.80000112.5G162 A166 R167 E168G162-S164 PolarHBondContact O-N 3.36Å; S164-A166 PolarHBondContact O-N 3.3Å; S164-R167 WeakPolarHBondContact O-CB 3.5Å; S164-R167 PolarHBondContact O-N 3.38Å; S164-R167 VanDerWaalsContact O-N 3.07Å; S164-E168 PolarHBondContact O-N 2.97Å; S164-E168 VanDerWaalsContact O-N 3.17Å
165S41.7Very low41.8Very low66 Ų66113.2 Ų113.246%0.46261%0.609SS.*Hα-helixtrans-65.6-35.6-178.7177.80000112.8G162 R167 E168 L169G162-S165 PolarHBondContact O-N 2.94Å; S165-R167 VanDerWaalsContact C-N 3.29Å; S165-R167 PolarHBondContact O-N 3.47Å; S165-E168 PolarHBondContact O-N 2.55Å; S165-L169 PolarHBondContact O-N 3.46Å; S165-L169 VanDerWaalsContact O-N 3.12Å
166A50.3Low42.6Very low52 Ų52108.6 Ų108.643%0.4359%0.587SS.*Hα-helixtrans-65.4-33.1173.800000112.4G162 S164 I170G162-A166 PolarHBondContact O-N 3.36Å; S164-A166 PolarHBondContact O-N 3.3Å; A166-I170 WeakPolarHBondContact O-CD1 3.34Å; A166-I170 WeakPolarHBondContact O-CG1 3.34Å; A166-I170 PolarHBondContact O-N 3.37Å; A166-I170 VanDerWaalsContact O-N 3.16Å
167R46.3Very low43.5Very low203 Ų203103.3 Ų103.377%0.76656%0.559SS**Hα-helixtrans-73-37.1-179.8-144.3176.8-173.9-166.51111.6S164 S165 L171S164-R167 WeakPolarHBondContact O-CB 3.5Å; S164-R167 PolarHBondContact O-N 3.38Å; S164-R167 VanDerWaalsContact O-N 3.07Å; S165-R167 VanDerWaalsContact C-N 3.29Å; S165-R167 PolarHBondContact O-N 3.47Å; R167-L171 WeakPolarHBondContact O-CB 3.46Å; R167-L171 PolarHBondContact O-N 3.14Å; R167-L171 VanDerWaalsContact O-N 3.09Å
168E48.2Very low44.5Very low136 Ų13694.9 Ų94.964%0.63652%0.523SS*.Hα-helixtrans-67.3-43.6174.5-73.3171.1174.600111.9S164 S165 I170 L171 Q172S164-E168 PolarHBondContact O-N 2.97Å; S164-E168 VanDerWaalsContact O-N 3.17Å; S165-E168 PolarHBondContact O-N 2.55Å; E168-I170 VanDerWaalsContact C-N 3.32Å; E168-I170 PolarHBondContact O-N 3.3Å; E168-L171 PolarHBondContact O-N 3.19Å; E168-L171 VanDerWaalsContact O-N 3.17Å; E168-Q172 PolarHBondContact O-N 3.45Å
169L49.1Very low45.3Very low110 Ų11092.2 Ų92.258%0.57650%0.502SS*.Hα-helixtrans-63.6-33.9176-92.3159.1000113.4S165 R173S165-L169 PolarHBondContact O-N 3.46Å; S165-L169 VanDerWaalsContact O-N 3.12Å; L169-R173 WeakPolarHBondContact O-CB 3.27Å; L169-R173 PolarHBondContact O-N 2.86Å
170I52.1Low46.3Very low107 Ų10782.1 Ų82.155%0.54947%0.47SS..Hα-helixtrans-72.1-37.4174.6-68.2165.3000110.8A166 E168 N174A166-I170 WeakPolarHBondContact O-CD1 3.34Å; A166-I170 WeakPolarHBondContact O-CG1 3.34Å; A166-I170 PolarHBondContact O-N 3.37Å; A166-I170 VanDerWaalsContact O-N 3.16Å; E168-I170 VanDerWaalsContact C-N 3.32Å; E168-I170 PolarHBondContact O-N 3.3Å; I170-N174 PolarHBondContact O-N 3.46Å
171L49.2Very low47Very low112 Ų11281.6 Ų81.659%0.58646%0.459SS*.Hα-helixtrans-66.9-42.5179.3-158102.8000111.7R167 E168 T175 P232R167-L171 WeakPolarHBondContact O-CB 3.46Å; R167-L171 PolarHBondContact O-N 3.14Å; R167-L171 VanDerWaalsContact O-N 3.09Å; E168-L171 PolarHBondContact O-N 3.19Å; E168-L171 VanDerWaalsContact O-N 3.17Å; L171-T175 PolarHBondContact O-OG1 2.99Å; L171-T175 VanDerWaalsContact O-OG1 3.11Å; L171-P232 HydrophobicContact CG-CG 4.23Å; L171-P232 WeakPolarHBondContact O-CG 3.21Å
172Q46.4Very low47.8Very low105 Ų10578.4 Ų78.449%0.49144%0.439SS..Hα-helixtrans-68.5-35.5178.5-169.3176.9-13.700112.1E168 N174 T175 D181E168-Q172 PolarHBondContact O-N 3.45Å; Q172-N174 VanDerWaalsContact C-N 3.34Å; Q172-N174 PolarHBondContact O-N 2.88Å; Q172-T175 WeakPolarHBondContact CA-OG1 3.28Å; Q172-T175 PolarHBondContact O-N 3.44Å; Q172-T175 PolarHBondContact O-OG1 3.17Å; Q172-D181 WeakPolarHBondContact CG-OD2 3.42Å; Q172-D181 PolarHBondContact NE2-OD2 3.02Å
173R46.1Very low48.6Very low115 Ų11582.7 Ų82.743%0.43445%0.451SS..Hα-helixtrans-64-39.7178.6-161.1179.6-174.7108.8-1.3112.3L169 T175 S176 E322L169-R173 WeakPolarHBondContact O-CB 3.27Å; L169-R173 PolarHBondContact O-N 2.86Å; R173-T175 PolarHBondContact O-N 2.82Å; R173-S176 WeakPolarHBondContact O-CB 3.45Å; R173-S176 PolarHBondContact O-N 2.91Å; R173-S176 PolarHBondContact O-OG 2.86Å; R173-E322 VanDerWaalsContact O-OE1 3.11Å
174N46.3Very low49.5Very low62 Ų6282.5 Ų82.533%0.33244%0.438SS..THydrogen-bonded Turntrans-72.1-10.7179.5-67.3-6.7000114.1I170 Q172 P232 E322I170-N174 PolarHBondContact O-N 3.46Å; Q172-N174 VanDerWaalsContact C-N 3.34Å; Q172-N174 PolarHBondContact O-N 2.88Å; N174-P232 HydrophobicContact CB-CB 3.56Å; N174-P232 HydrophobicContact CB-CG 4.1Å; N174-E322 VanDerWaalsContact CA-OE1 3.29Å; N174-E322 WeakPolarHBondContact CA-OE1 3.35Å
175T48Very low50.7Low37 Ų3785.8 Ų85.823%0.22744%0.441CS..THydrogen-bonded Turntrans-86.8-15.4170.82.10000111.5L171 Q172 R173 L177 I178 V179 V229 P232L171-T175 PolarHBondContact O-OG1 2.99Å; L171-T175 VanDerWaalsContact O-OG1 3.11Å; Q172-T175 WeakPolarHBondContact CA-OG1 3.28Å; Q172-T175 PolarHBondContact O-N 3.44Å; Q172-T175 PolarHBondContact O-OG1 3.17Å; R173-T175 PolarHBondContact O-N 2.82Å; T175-L177 VanDerWaalsContact C-N 3.3Å; T175-L177 PolarHBondContact O-N 2.85Å; T175-I178 PolarHBondContact O-N 3.19Å; T175-I178 VanDerWaalsContact O-N 3.17Å; T175-V179 PolarHBondContact O-N 3.34Å; T175-V229 HydrophobicContact CG2-CG1 3.84Å; T175-P232 HydrophobicContact CG2-CG 4.25Å
176S50.8Low52Low34 Ų3492.3 Ų92.324%0.23846%0.456CS..THydrogen-bonded Turntrans-69.3-24.4-174.174.90000113.9R173 I178 V179 Q191R173-S176 WeakPolarHBondContact O-CB 3.45Å; R173-S176 PolarHBondContact O-N 2.91Å; R173-S176 PolarHBondContact O-OG 2.86Å; S176-I178 PolarHBondContact O-N 3.46Å; S176-I178 VanDerWaalsContact O-N 3.09Å; S176-V179 VanDerWaalsContact CA-O 3.28Å; S176-V179 WeakPolarHBondContact CA-O 3.33Å; S176-V179 CarbonylContact O-C 3.56Å; S176-V179 PolarHBondContact O-N 3.48Å; S176-Q191 PolarHBondContact O-NE2 3.29Å
177L50.6Low52.8Low28 Ų2892.3 Ų92.315%0.14745%0.451CS..THydrogen-bonded Turntrans-60.9-21.9176.2-165.5136.2000112.2T175 V239 E322T175-L177 VanDerWaalsContact C-N 3.3Å; T175-L177 PolarHBondContact O-N 2.85Å; L177-V239 HydrophobicContact CD1-CG2 4.33Å; L177-V239 HydrophobicContact CD2-CG2 3.54Å; L177-E322 WeakPolarHBondContact CD1-OE2 3.37Å
178I52.4Low54.1Low18 Ų1884.6 Ų84.69%0.09243%0.428CS..THydrogen-bonded Turntrans-106.2-33.1176.4-57.6-176.1000109.9T175 S176 W224 V229 P230 A235T175-I178 PolarHBondContact O-N 3.19Å; T175-I178 VanDerWaalsContact O-N 3.17Å; S176-I178 PolarHBondContact O-N 3.46Å; S176-I178 VanDerWaalsContact O-N 3.09Å; I178-W224 HydrophobicContact CB-CZ2 4.34Å; I178-W224 HydrophobicContact CG2-CD2 4.48Å; I178-W224 HydrophobicContact CG2-CH2 4.49Å; I178-W224 HydrophobicContact CG2-CZ2 3.35Å; I178-W224 WeakPolarHBondContact O-CH2 3.42Å; I178-W224 WeakPolarHBondContact O-CZ2 3.48Å; I178-V229 HydrophobicContact CB-CG1 4.38Å; I178-V229 HydrophobicContact CG2-CG1 4.19Å; I178-P230 HydrophobicContact CD1-CB 4.15Å; I178-P230 HydrophobicContact CD1-CG 3.81Å; I178-A235 HydrophobicContact CD1-CB 3.68Å; I178-A235 HydrophobicContact CG1-CB 4.47Å
179V52.5Low55.7Low42 Ų4281.7 Ų81.726%0.25542%0.416SS..  trans-129.2120.2-175.4-175.30000112.4T175 S176 D181 V229T175-V179 PolarHBondContact O-N 3.34Å; S176-V179 VanDerWaalsContact CA-O 3.28Å; S176-V179 WeakPolarHBondContact CA-O 3.33Å; S176-V179 CarbonylContact O-C 3.56Å; S176-V179 PolarHBondContact O-N 3.48Å; V179-D181 PolarHBondContact O-N 3.09Å; V179-D181 VanDerWaalsContact O-N 3.13Å; V179-V229 HydrophobicContact CG2-CG1 3.95Å; V179-V229 HydrophobicContact CG2-CG2 3.78Å
180P50.9Low57.3Low45 Ų4578.5 Ų78.529%0.29240%0.402SS..  trans-72.5105.4169.626.6-27.9000109.6S182P180-S182 PolarHBondContact O-N 3.49Å
181D49.3Very low58.8Low101 Ų10175 Ų7554%0.5438%0.383SS..SBendtrans-66.3-14.2174.8-80.5-10.6000113.2Q172 V179Q172-D181 WeakPolarHBondContact CG-OD2 3.42Å; Q172-D181 PolarHBondContact NE2-OD2 3.02Å; V179-D181 PolarHBondContact O-N 3.09Å; V179-D181 VanDerWaalsContact O-N 3.13Å
182S50.4Low60.6Low56 Ų5674.4 Ų74.439%0.39238%0.38SS..SBendtrans-137.1142.717357.70000110P180 D184P180-S182 PolarHBondContact O-N 3.49Å; S182-D184 PolarHBondContact O-N 3.41Å; S182-D184 PolarHBondContact OG-OD2 2.66Å
183L55.8Low62.7Low137 Ų13772.4 Ų72.472%0.71738%0.375SS*.  trans-69.341.6170.1-98.7152.1000111.7F185 Y394L183-F185 PolarHBondContact O-N 3.2Å; L183-Y394 HydrophobicContact CD1-CE1 4.4Å
184D62.2Low64.9Low79 Ų7967.8 Ų67.842%0.42236%0.359SS..  trans-73.3108.2168.6-77.7-43.1000107.9S182 R186 T187 C188S182-D184 PolarHBondContact O-N 3.41Å; S182-D184 PolarHBondContact OG-OD2 2.66Å; D184-R186 PolarHBondContact O-N 3Å; D184-T187 PolarHBondContact O-N 3.13Å; D184-C188 PolarHBondContact O-N 2.86Å
185F65.9Low67Low157 Ų15766.5 Ų66.569%0.68936%0.36SS*.Hα-helixtrans-48.1-36.2179-179.2-100.6000112.7L183 T187 L189L183-F185 PolarHBondContact O-N 3.2Å; F185-T187 VanDerWaalsContact C-N 3.31Å; F185-T187 PolarHBondContact O-N 3.41Å; F185-L189 HydrophobicContact CE1-CD2 3.88Å; F185-L189 HydrophobicContact CE2-CD1 4.41Å; F185-L189 HydrophobicContact CZ-CB 4.43Å; F185-L189 HydrophobicContact CZ-CD1 4.21Å; F185-L189 HydrophobicContact CZ-CD2 3.84Å; F185-L189 HydrophobicContact CZ-CG 4.39Å; F185-L189 WeakPolarHBondContact O-CB 3.46Å; F185-L189 PolarHBondContact O-N 2.67Å
186R69.8Low69.1Low202 Ų20270 Ų7076%0.76238%0.377SS*.Hα-helixtrans-65.2-29.2178.6-175.4172.358.5-117.7-8.3113.7D184 P190D184-R186 PolarHBondContact O-N 3Å; R186-P190 VanDerWaalsContact O-CD 3.23Å; R186-P190 WeakPolarHBondContact O-CD 3.47Å; R186-P190 WeakPolarHBondContact O-CG 3.4Å
187T66.6Low71.2Confident53 Ų5369.6 Ų69.633%0.32537%0.372SS..Hα-helixtrans-93.3-37.1178.6-44.90000110.8D184 F185 P190 Q191D184-T187 PolarHBondContact O-N 3.13Å; F185-T187 VanDerWaalsContact C-N 3.31Å; F185-T187 PolarHBondContact O-N 3.41Å; T187-P190 WeakPolarHBondContact O-CD 3.35Å; T187-P190 WeakPolarHBondContact O-CG 3.32Å; T187-Q191 WeakPolarHBondContact O-CG 3.39Å
188C72.7Confident73.3Confident41 Ų4169.1 Ų69.128%0.27737%0.368SS..Hα-helixtrans-73.8-40.5-177.6-175.60000113D184 Q191 L192D184-C188 PolarHBondContact O-N 2.86Å; C188-Q191 PolarHBondContact O-N 3.45Å; C188-L192 WeakPolarHBondContact O-CB 3.3Å; C188-L192 PolarHBondContact O-N 2.84Å
189L82.4Confident75.3Confident75 Ų7569.1 Ų69.139%0.39337%0.37SS..Hα-helixtrans-57.1-50.9-179-175.168.4000113.7F185 Q191 L192 V193F185-L189 HydrophobicContact CE1-CD2 3.88Å; F185-L189 HydrophobicContact CE2-CD1 4.41Å; F185-L189 HydrophobicContact CZ-CB 4.43Å; F185-L189 HydrophobicContact CZ-CD1 4.21Å; F185-L189 HydrophobicContact CZ-CD2 3.84Å; F185-L189 HydrophobicContact CZ-CG 4.39Å; F185-L189 WeakPolarHBondContact O-CB 3.46Å; F185-L189 PolarHBondContact O-N 2.67Å; L189-Q191 VanDerWaalsContact C-N 3.28Å; L189-Q191 PolarHBondContact O-N 3.43Å; L189-L192 PolarHBondContact O-N 3.4Å; L189-V193 HydrophobicContact CD1-CG2 4.49Å; L189-V193 VanDerWaalsContact O-CG2 3.31Å; L189-V193 WeakPolarHBondContact O-CG2 3.49Å; L189-V193 PolarHBondContact O-N 2.89Å
190P83.8Confident77.2Confident42 Ų4267.8 Ų67.827%0.27336%0.363SS..Hα-helixtrans-62.7-35.5178.623.9-33.6000112.2R186 T187 V193 L194 Q318R186-P190 VanDerWaalsContact O-CD 3.23Å; R186-P190 WeakPolarHBondContact O-CD 3.47Å; R186-P190 WeakPolarHBondContact O-CG 3.4Å; T187-P190 WeakPolarHBondContact O-CD 3.35Å; T187-P190 WeakPolarHBondContact O-CG 3.32Å; P190-V193 PolarHBondContact O-N 2.83Å; P190-L194 WeakPolarHBondContact O-CB 3.3Å; P190-L194 PolarHBondContact O-N 3.46Å; P190-Q318 PolarHBondContact O-NE2 3.36Å
191Q81.8Confident79.2Confident33 Ų3365.6 Ų65.615%0.15435%0.349CS..Hα-helixtrans-66.4-43.2176.7-67.3173.5-1500112S176 T187 C188 L189 V193 L194 G195S176-Q191 PolarHBondContact O-NE2 3.29Å; T187-Q191 WeakPolarHBondContact O-CG 3.39Å; C188-Q191 PolarHBondContact O-N 3.45Å; L189-Q191 VanDerWaalsContact C-N 3.28Å; L189-Q191 PolarHBondContact O-N 3.43Å; Q191-V193 PolarHBondContact O-N 3.47Å; Q191-L194 PolarHBondContact O-N 3.3Å; Q191-G195 PolarHBondContact O-N 3.28Å
192L86.9Confident81.3Confident100 Ų10060.8 Ų60.852%0.52432%0.324SS..Hα-helixtrans-60.1-46.2174.4179.365.4000111.1C188 L189 L194 G195 L196C188-L192 WeakPolarHBondContact O-CB 3.3Å; C188-L192 PolarHBondContact O-N 2.84Å; L189-L192 PolarHBondContact O-N 3.4Å; L192-L194 VanDerWaalsContact C-N 3.33Å; L192-L194 PolarHBondContact O-N 2.93Å; L192-G195 PolarHBondContact O-N 3.3Å; L192-L196 HydrophobicContact CD1-CD1 4.41Å; L192-L196 HydrophobicContact CD1-CG 4.46Å; L192-L196 HydrophobicContact CG-CD1 4.15Å; L192-L196 WeakPolarHBondContact O-CB 3.26Å; L192-L196 VanDerWaalsContact O-CG 3.3Å; L192-L196 WeakPolarHBondContact O-CG 3.28Å; L192-L196 PolarHBondContact O-N 3.46Å
193V91.1Very high83.2Confident63 Ų6358.1 Ų58.138%0.38231%0.305SS..Hα-helixtrans-60.9-43.2177171.90000110.9L189 P190 Q191 L196 L197L189-V193 HydrophobicContact CD1-CG2 4.49Å; L189-V193 VanDerWaalsContact O-CG2 3.31Å; L189-V193 WeakPolarHBondContact O-CG2 3.49Å; L189-V193 PolarHBondContact O-N 2.89Å; P190-V193 PolarHBondContact O-N 2.83Å; Q191-V193 PolarHBondContact O-N 3.47Å; V193-L196 PolarHBondContact O-N 3.27Å; V193-L197 HydrophobicContact CG1-CD1 3.88Å; V193-L197 HydrophobicContact CG1-CG 4.37Å; V193-L197 WeakPolarHBondContact O-CB 3.27Å; V193-L197 VanDerWaalsContact O-CG 3.3Å; V193-L197 WeakPolarHBondContact O-CG 3.46Å; V193-L197 PolarHBondContact O-N 3.49Å
194L92.4Very high84.8Confident19 Ų1951.8 Ų51.810%0.09927%0.271CS..Hα-helixtrans-63-43.9176.8178.464.8000112.1P190 Q191 L192 L197 F198 F311 L315P190-L194 WeakPolarHBondContact O-CB 3.3Å; P190-L194 PolarHBondContact O-N 3.46Å; Q191-L194 PolarHBondContact O-N 3.3Å; L192-L194 VanDerWaalsContact C-N 3.33Å; L192-L194 PolarHBondContact O-N 2.93Å; L194-L197 PolarHBondContact O-N 2.84Å; L194-F198 WeakPolarHBondContact O-CB 3.17Å; L194-F198 PolarHBondContact O-N 3.35Å; L194-F311 HydrophobicContact CD1-CD2 3.71Å; L194-F311 HydrophobicContact CD1-CE2 3.61Å; L194-L315 HydrophobicContact CD1-CB 3.96Å; L194-L315 HydrophobicContact CD1-CD1 4.26Å; L194-L315 HydrophobicContact CD2-CD1 3.9Å
195G90.8Very high86Confident35 Ų3548.6 Ų48.636%0.36125%0.254SS..Hα-helixtrans-61.6-42.5176.100000112.6Q191 L192 F198 C199Q191-G195 PolarHBondContact O-N 3.28Å; L192-G195 PolarHBondContact O-N 3.3Å; G195-F198 PolarHBondContact O-N 2.76Å; G195-C199 WeakPolarHBondContact O-CB 3.37Å; G195-C199 PolarHBondContact O-N 3.33Å
196L92.3Very high87.1Confident111 Ų11141.7 Ų41.758%0.58123%0.225SC*.Hα-helixtrans-65.3-42.5175.5-70.8172.9000112.2L192 V193 F198 C199 A200L192-L196 HydrophobicContact CD1-CD1 4.41Å; L192-L196 HydrophobicContact CD1-CG 4.46Å; L192-L196 HydrophobicContact CG-CD1 4.15Å; L192-L196 WeakPolarHBondContact O-CB 3.26Å; L192-L196 VanDerWaalsContact O-CG 3.3Å; L192-L196 WeakPolarHBondContact O-CG 3.28Å; L192-L196 PolarHBondContact O-N 3.46Å; V193-L196 PolarHBondContact O-N 3.27Å; L196-F198 VanDerWaalsContact C-N 3.35Å; L196-C199 PolarHBondContact O-N 2.89Å; L196-A200 WeakPolarHBondContact O-CB 3.28Å; L196-A200 PolarHBondContact O-N 2.88Å
197L94.6Very high88.1Confident25 Ų2532.1 Ų32.113%0.13119%0.189CC..Hα-helixtrans-64.3-40.1175-75.2170.8000111.6V193 L194 A200 V201 F307 A310 F311 S314V193-L197 HydrophobicContact CG1-CD1 3.88Å; V193-L197 HydrophobicContact CG1-CG 4.37Å; V193-L197 WeakPolarHBondContact O-CB 3.27Å; V193-L197 VanDerWaalsContact O-CG 3.3Å; V193-L197 WeakPolarHBondContact O-CG 3.46Å; V193-L197 PolarHBondContact O-N 3.49Å; L194-L197 PolarHBondContact O-N 2.84Å; L197-A200 PolarHBondContact O-N 3.38Å; L197-V201 WeakPolarHBondContact O-CG2 3.37Å; L197-V201 PolarHBondContact O-N 2.96Å; L197-F307 HydrophobicContact CD2-CD1 3.89Å; L197-F307 HydrophobicContact CD2-CE1 4.35Å; L197-A310 HydrophobicContact CD1-CB 4.37Å; L197-A310 HydrophobicContact CD2-CB 4Å; L197-F311 HydrophobicContact CB-CB 4.25Å; L197-F311 HydrophobicContact CB-CD2 4.26Å; L197-S314 VanDerWaalsContact CD1-OG 3.26Å; L197-S314 WeakPolarHBondContact CD1-OG 3.01Å
198F95Very high89.3Confident17 Ų1734.1 Ų34.18%0.07520%0.197CC..Hα-helixtrans-63.6-46177.3-169.2-165.1000111.1L194 G195 L196 A200 V201 A202 Y213 L216 F217 L220 L242 F311L194-F198 WeakPolarHBondContact O-CB 3.17Å; L194-F198 PolarHBondContact O-N 3.35Å; G195-F198 PolarHBondContact O-N 2.76Å; L196-F198 VanDerWaalsContact C-N 3.35Å; F198-A200 VanDerWaalsContact C-N 3.31Å; F198-A200 PolarHBondContact O-N 2.94Å; F198-V201 PolarHBondContact O-N 3.48Å; F198-A202 VanDerWaalsContact O-CB 3.29Å; F198-A202 WeakPolarHBondContact O-CB 3.35Å; F198-A202 PolarHBondContact O-N 3.39Å; F198-Y213 HydrophobicContact CD2-CD1 4.47Å; F198-Y213 AromaticContact CE2-CD1 3.95Å; F198-Y213 HydrophobicContact CE2-CD1 3.95Å; F198-Y213 HydrophobicContact CE2-CG 4.48Å; F198-Y213 VanDerWaalsContact CE2-O 3.32Å; F198-Y213 WeakPolarHBondContact CE2-O 3.44Å; F198-Y213 WeakPolarHBondContact CZ-O 3.31Å; F198-L216 HydrophobicContact CE1-CG 4.49Å; F198-L216 HydrophobicContact CZ-CB 4.14Å; F198-L216 HydrophobicContact CZ-CD2 4.15Å; F198-L216 HydrophobicContact CZ-CG 3.97Å; F198-F217 HydrophobicContact CB-CD2 4.27Å; F198-F217 HydrophobicContact CD1-CB 4.26Å; F198-F217 AromaticContact CD1-CD2 3.68Å; F198-F217 HydrophobicContact CD1-CD2 3.68Å; F198-F217 HydrophobicContact CD1-CG 4.47Å; F198-F217 HydrophobicContact CD2-CB 4.37Å; F198-F217 HydrophobicContact CD2-CD2 4.49Å; F198-F217 HydrophobicContact CE1-CB 3.84Å; F198-F217 HydrophobicContact CE1-CD2 4.06Å; F198-F217 HydrophobicContact CE1-CG 4.47Å; F198-F217 HydrophobicContact CE2-CB 3.96Å; F198-F217 AromaticContact CG-CD2 3.91Å; F198-F217 HydrophobicContact CG-CD2 3.91Å; F198-F217 HydrophobicContact CZ-CB 3.68Å; F198-L220 HydrophobicContact CE1-CD1 3.88Å; F198-L242 HydrophobicContact CE2-CD2 4.48Å; F198-L242 HydrophobicContact CZ-CD2 4.46Å; F198-F311 HydrophobicContact CB-CD2 4.02Å; F198-F311 HydrophobicContact CB-CE2 3.58Å; F198-F311 HydrophobicContact CB-CZ 4.39Å; F198-F311 AromaticContact CD2-CE2 4Å; F198-F311 HydrophobicContact CD2-CE2 4Å; F198-F311 AromaticContact CD2-CZ 3.97Å; F198-F311 HydrophobicContact CD2-CZ 3.97Å; F198-F311 AromaticContact CG-CE2 3.8Å; F198-F311 HydrophobicContact CG-CE2 3.8Å; F198-F311 HydrophobicContact CG-CZ 4.13Å
199C93.2Very high90.3Very high18 Ų1834.7 Ų34.712%0.12219%0.193CC..Hα-helixtrans-57.9-43.8172.8-178.90000111.7G195 L196 A202 V203 F217 V504G195-C199 WeakPolarHBondContact O-CB 3.37Å; G195-C199 PolarHBondContact O-N 3.33Å; L196-C199 PolarHBondContact O-N 2.89Å; C199-A202 PolarHBondContact O-N 3.43Å; C199-V203 WeakPolarHBondContact O-CB 3.23Å; C199-V203 WeakPolarHBondContact O-CG2 3.31Å; C199-V203 PolarHBondContact O-N 3.42Å; C199-F217 HydrophobicContact CB-CD2 4.42Å; C199-F217 HydrophobicContact CB-CE1 4.32Å; C199-F217 HydrophobicContact CB-CE2 3.66Å; C199-F217 HydrophobicContact CB-CZ 3.61Å; C199-V504 WeakPolarHBondContact SG-CG1 3.4Å
200A92.8Very high90.8Very high14 Ų1431.1 Ų31.112%0.11618%0.175CC..Hα-helixtrans-62.6-49.9178.700000111.1L196 L197 F198 A202 V203 I204 F307L196-A200 WeakPolarHBondContact O-CB 3.28Å; L196-A200 PolarHBondContact O-N 2.88Å; L197-A200 PolarHBondContact O-N 3.38Å; F198-A200 VanDerWaalsContact C-N 3.31Å; F198-A200 PolarHBondContact O-N 2.94Å; A200-A202 VanDerWaalsContact C-N 3.3Å; A200-A202 PolarHBondContact O-N 3.34Å; A200-V203 PolarHBondContact O-N 3.36Å; A200-V203 VanDerWaalsContact O-N 3.09Å; A200-I204 WeakPolarHBondContact O-CA 2.92Å; A200-I204 WeakPolarHBondContact O-CB 3.49Å; A200-I204 VanDerWaalsContact O-CG2 3.31Å; A200-I204 WeakPolarHBondContact O-CG2 3.24Å; A200-I204 PolarHBondContact O-N 2.94Å; A200-F307 HydrophobicContact CB-CD1 3.96Å; A200-F307 HydrophobicContact CB-CE1 4.08Å; A200-F307 HydrophobicContact CB-CG 4.34Å
201V94Very high91.3Very high0 Ų031.1 Ų31.10%017%0.174CC..Hα-helixtrans-60-40178172.20000111.9L197 F198 V203 Y213 F307 I308 F311L197-V201 WeakPolarHBondContact O-CG2 3.37Å; L197-V201 PolarHBondContact O-N 2.96Å; F198-V201 PolarHBondContact O-N 3.48Å; V201-V203 PolarHBondContact O-N 3.43Å; V201-Y213 HydrophobicContact CG1-CD1 4.15Å; V201-Y213 HydrophobicContact CG1-CD2 4.06Å; V201-Y213 HydrophobicContact CG1-CE1 4.46Å; V201-Y213 HydrophobicContact CG1-CE2 4.37Å; V201-Y213 HydrophobicContact CG1-CG 3.94Å; V201-F307 VanDerWaalsContact CG2-C 3.45Å; V201-F307 HydrophobicContact CG2-CB 3.82Å; V201-F307 WeakPolarHBondContact CG2-O 3.5Å; V201-I308 HydrophobicContact CG1-CG1 3.86Å; V201-I308 HydrophobicContact CG2-CG1 4.29Å; V201-F311 HydrophobicContact CG2-CB 3.79Å; V201-F311 HydrophobicContact CG2-CG 4.3Å
202A92.8Very high91.9Very high0 Ų032.3 Ų32.30%018%0.184CC..Hα-helixtrans-63.7-22177.800000113.8F198 C199 A200 F214 F217 F464F198-A202 VanDerWaalsContact O-CB 3.29Å; F198-A202 WeakPolarHBondContact O-CB 3.35Å; F198-A202 PolarHBondContact O-N 3.39Å; C199-A202 PolarHBondContact O-N 3.43Å; A200-A202 VanDerWaalsContact C-N 3.3Å; A200-A202 PolarHBondContact O-N 3.34Å; A202-F214 HydrophobicContact CB-CB 4.3Å; A202-F214 HydrophobicContact CB-CD2 4.44Å; A202-F217 HydrophobicContact CB-CB 4.15Å; A202-F217 HydrophobicContact CB-CG 4.4Å; A202-F464 VanDerWaalsContact O-CE2 3.29Å; A202-F464 WeakPolarHBondContact O-CE2 3.32Å
203V90.3Very high92.3Very high0 Ų027.5 Ų27.50%016%0.159CC..Hα-helixtrans-122.5-28.2-167.6171.70000113.7C199 A200 V201 F205 L500 L501 V504C199-V203 WeakPolarHBondContact O-CB 3.23Å; C199-V203 WeakPolarHBondContact O-CG2 3.31Å; C199-V203 PolarHBondContact O-N 3.42Å; A200-V203 PolarHBondContact O-N 3.36Å; A200-V203 VanDerWaalsContact O-N 3.09Å; V201-V203 PolarHBondContact O-N 3.43Å; V203-F205 VanDerWaalsContact C-N 3.29Å; V203-F205 PolarHBondContact O-N 3.02Å; V203-L500 HydrophobicContact CB-CD2 4.36Å; V203-L500 HydrophobicContact CB-CG 4.47Å; V203-L500 HydrophobicContact CG1-CB 3.61Å; V203-L500 HydrophobicContact CG1-CD2 3.66Å; V203-L500 HydrophobicContact CG1-CG 3.5Å; V203-L500 HydrophobicContact CG2-CD2 4.36Å; V203-L500 HydrophobicContact CG2-CG 4.3Å; V203-L501 HydrophobicContact CB-CD2 3.94Å; V203-L501 HydrophobicContact CB-CG 4.5Å; V203-L501 HydrophobicContact CG1-CD2 3.69Å; V203-L501 HydrophobicContact CG1-CG 3.73Å; V203-V504 HydrophobicContact CG2-CG2 3.87Å
204I89Confident92.5Very high3 Ų324.6 Ų24.62%0.01514%0.141CC..SBendtrans-56.6-40.3-169-173.463.8000113A200 W299 S300 A303 Y304 F307 V497A200-I204 WeakPolarHBondContact O-CA 2.92Å; A200-I204 WeakPolarHBondContact O-CB 3.49Å; A200-I204 VanDerWaalsContact O-CG2 3.31Å; A200-I204 WeakPolarHBondContact O-CG2 3.24Å; A200-I204 PolarHBondContact O-N 2.94Å; I204-W299 HydrophobicContact CD1-CH2 3.86Å; I204-W299 HydrophobicContact CD1-CZ3 3.68Å; I204-S300 WeakPolarHBondContact O-CB 3.4Å; I204-A303 HydrophobicContact CD1-CB 4.03Å; I204-A303 HydrophobicContact CG1-CB 4.14Å; I204-Y304 HydrophobicContact CG2-CD2 3.75Å; I204-Y304 HydrophobicContact CG2-CG 4.5Å; I204-F307 HydrophobicContact CB-CD2 4.43Å; I204-F307 HydrophobicContact CD1-CD2 4.12Å; I204-F307 HydrophobicContact CD1-CE2 3.89Å; I204-F307 HydrophobicContact CG1-CD2 3.88Å; I204-F307 HydrophobicContact CG1-CE2 4.19Å; I204-V497 HydrophobicContact CD1-CG1 3.9Å; I204-V497 WeakPolarHBondContact O-CG2 3.18Å
205F88Confident92.6Very high13 Ų1328.4 Ų28.46%0.05716%0.161CC..SBendtrans-146.595.8-176.8-166.7-98.2000109.6V203 C207 T210 K278 A301 Y304V203-F205 VanDerWaalsContact C-N 3.29Å; V203-F205 PolarHBondContact O-N 3.02Å; F205-C207 HydrophobicContact CD1-CB 4.02Å; F205-C207 HydrophobicContact CE1-CB 4.04Å; F205-C207 PolarHBondContact O-N 3.36Å; F205-T210 WeakPolarHBondContact O-CB 3.33Å; F205-T210 WeakPolarHBondContact O-CG2 3.43Å; F205-T210 PolarHBondContact O-OG1 2.85Å; F205-K278 HydrophobicContact CZ-CG 4.28Å; F205-A301 HydrophobicContact CD2-CB 4.07Å; F205-A301 HydrophobicContact CE2-CB 3.86Å; F205-Y304 HydrophobicContact CB-CD2 4.05Å; F205-Y304 HydrophobicContact CB-CG 3.92Å; F205-Y304 HydrophobicContact CD1-CD1 4.44Å
206P89.5Confident92.7Very high12 Ų1228.4 Ų28.48%0.07815%0.153CC..  trans-68.4114.9-179.923.7-28.1000110T210 F464 R467 L468P206-T210 WeakPolarHBondContact CA-OG1 3.34Å; P206-F464 HydrophobicContact CB-CD2 4.18Å; P206-F464 HydrophobicContact CB-CE1 4.29Å; P206-F464 HydrophobicContact CB-CE2 3.83Å; P206-F464 HydrophobicContact CB-CZ 3.9Å; P206-R467 HydrophobicContact CB-CB 4.14Å; P206-R467 HydrophobicContact CG-CB 3.48Å; P206-R467 VanDerWaalsContact CG-CB 3.48Å; P206-R467 VanDerWaalsContact CG-O 3.32Å; P206-R467 WeakPolarHBondContact CG-O 3.35Å; P206-L468 HydrophobicContact CB-CD2 4.37Å
207C90.5Very high92.8Very high0 Ų023.7 Ų23.70%013%0.128CC..SBendtrans-153.6173.3177.666.30000108.9F205 W209 T210 V211 V275F205-C207 HydrophobicContact CD1-CB 4.02Å; F205-C207 HydrophobicContact CE1-CB 4.04Å; F205-C207 PolarHBondContact O-N 3.36Å; C207-W209 PolarHBondContact O-N 3.19Å; C207-T210 PolarHBondContact N-OG1 2.97Å; C207-T210 PolarHBondContact O-N 2.82Å; C207-T210 PolarHBondContact O-OG1 3.36Å; C207-V211 PolarHBondContact O-N 2.89Å; C207-V275 WeakPolarHBondContact CB-O 3.42Å
208L92.2Very high92.7Very high96 Ų9623.3 Ų23.350%0.50313%0.126SC..THydrogen-bonded Turntrans-58.6-37-179.7-171.261.7000112.5T210 V211 P212 L274 V275L208-T210 VanDerWaalsContact C-N 3.3Å; L208-T210 PolarHBondContact O-N 3.17Å; L208-V211 PolarHBondContact O-N 3.37Å; L208-P212 WeakPolarHBondContact O-CD 3.46Å; L208-L274 WeakPolarHBondContact CB-O 3.46Å; L208-L274 PolarHBondContact N-O 2.91Å; L208-V275 HydrophobicContact CD2-CG2 4.42Å
209W93.1Very high92.5Very high53 Ų5327.1 Ų27.120%0.20115%0.146CC..THydrogen-bonded Turntrans-66.7-27.7176.4-78.5112.1000113.5C207 Y213 Y245 I248 N249 A252 V275 F277 Y304C207-W209 PolarHBondContact O-N 3.19Å; W209-Y213 WeakPolarHBondContact O-CD2 3.48Å; W209-Y245 AromaticContact CE3-CE2 3.77Å; W209-Y245 HydrophobicContact CE3-CE2 3.77Å; W209-Y245 AromaticContact CE3-CZ 3.7Å; W209-Y245 HydrophobicContact CZ3-CD2 4.33Å; W209-Y245 AromaticContact CZ3-CE2 3.62Å; W209-Y245 HydrophobicContact CZ3-CE2 3.62Å; W209-Y245 PolarHBondContact O-OH 3.27Å; W209-I248 HydrophobicContact CH2-CG2 3.73Å; W209-I248 HydrophobicContact CZ3-CG2 4.05Å; W209-N249 HydrophobicContact CE3-CB 4.01Å; W209-N249 HydrophobicContact CZ3-CB 4.41Å; W209-A252 HydrophobicContact CZ2-CB 4.02Å; W209-V275 VanDerWaalsContact CD1-CG1 3.43Å; W209-F277 AromaticContact NE1-CE1 3.71Å; W209-F277 AromaticContact NE1-CZ 3.92Å; W209-Y304 WeakPolarHBondContact CB-OH 3.27Å
210T93.4Very high92.4Very high0 Ų027.5 Ų27.50%015%0.147CC..THydrogen-bonded Turntrans-85-17.5178.550.80000114.4F205 P206 C207 L208 Y213 F214 Y304 F464F205-T210 WeakPolarHBondContact O-CB 3.33Å; F205-T210 WeakPolarHBondContact O-CG2 3.43Å; F205-T210 PolarHBondContact O-OG1 2.85Å; P206-T210 WeakPolarHBondContact CA-OG1 3.34Å; C207-T210 PolarHBondContact N-OG1 2.97Å; C207-T210 PolarHBondContact O-N 2.82Å; C207-T210 PolarHBondContact O-OG1 3.36Å; L208-T210 VanDerWaalsContact C-N 3.3Å; L208-T210 PolarHBondContact O-N 3.17Å; T210-Y213 WeakPolarHBondContact O-CB 3.35Å; T210-Y213 PolarHBondContact O-N 3.37Å; T210-Y213 VanDerWaalsContact O-N 3.13Å; T210-F214 WeakPolarHBondContact O-CB 3.47Å; T210-F214 PolarHBondContact O-N 3.35Å; T210-Y304 HydrophobicContact CG2-CD2 4.21Å; T210-Y304 HydrophobicContact CG2-CE2 3.29Å; T210-F464 WeakPolarHBondContact OG1-CZ 3.45Å
211V93.8Very high92.1Very high42 Ų4230.4 Ų30.426%0.25516%0.159SC..Hα-helixtrans-52.9-50.5178171.50000112.5C207 L208 Y213 F214 L215 F464C207-V211 PolarHBondContact O-N 2.89Å; L208-V211 PolarHBondContact O-N 3.37Å; V211-Y213 VanDerWaalsContact C-N 3.33Å; V211-Y213 PolarHBondContact O-N 2.85Å; V211-F214 PolarHBondContact O-N 3.02Å; V211-L215 HydrophobicContact CG1-CD1 3.82Å; V211-L215 HydrophobicContact CG1-CG 4.22Å; V211-L215 WeakPolarHBondContact O-CG 3.36Å; V211-L215 PolarHBondContact O-N 2.92Å; V211-F464 HydrophobicContact CB-CE1 4.48Å; V211-F464 HydrophobicContact CG2-CE1 3.58Å; V211-F464 HydrophobicContact CG2-CZ 4.2Å
212P95Very high91.9Very high57 Ų5732 Ų3237%0.3717%0.169SC..Hα-helixtrans-64.9-34.4179.7-26.339.4000113.5L208 L216 Y245L208-P212 WeakPolarHBondContact O-CD 3.46Å; P212-L216 WeakPolarHBondContact O-CB 3.42Å; P212-L216 PolarHBondContact O-N 3.41Å; P212-Y245 HydrophobicContact CB-CE1 3.88Å; P212-Y245 WeakPolarHBondContact CD-OH 3.49Å; P212-Y245 HydrophobicContact CG-CE1 4.17Å; P212-Y245 HydrophobicContact CG-CE2 4.42Å; P212-Y245 VanDerWaalsContact CG-OH 3.29Å; P212-Y245 WeakPolarHBondContact CG-OH 3.49Å
213Y95Very high91.8Very high0 Ų034.5 Ų34.50%018%0.182CC..Hα-helixtrans-64.5-45.2173.7-67.4-74000111F198 V201 W209 T210 V211 F217 L242 Y245 S246 F311F198-Y213 HydrophobicContact CD2-CD1 4.47Å; F198-Y213 AromaticContact CE2-CD1 3.95Å; F198-Y213 HydrophobicContact CE2-CD1 3.95Å; F198-Y213 HydrophobicContact CE2-CG 4.48Å; F198-Y213 VanDerWaalsContact CE2-O 3.32Å; F198-Y213 WeakPolarHBondContact CE2-O 3.44Å; F198-Y213 WeakPolarHBondContact CZ-O 3.31Å; V201-Y213 HydrophobicContact CG1-CD1 4.15Å; V201-Y213 HydrophobicContact CG1-CD2 4.06Å; V201-Y213 HydrophobicContact CG1-CE1 4.46Å; V201-Y213 HydrophobicContact CG1-CE2 4.37Å; V201-Y213 HydrophobicContact CG1-CG 3.94Å; W209-Y213 WeakPolarHBondContact O-CD2 3.48Å; T210-Y213 WeakPolarHBondContact O-CB 3.35Å; T210-Y213 PolarHBondContact O-N 3.37Å; T210-Y213 VanDerWaalsContact O-N 3.13Å; V211-Y213 VanDerWaalsContact C-N 3.33Å; V211-Y213 PolarHBondContact O-N 2.85Å; Y213-F217 WeakPolarHBondContact O-CB 3.34Å; Y213-F217 PolarHBondContact O-N 2.91Å; Y213-L242 HydrophobicContact CD1-CD2 4.06Å; Y213-L242 HydrophobicContact CE1-CD2 4.04Å; Y213-Y245 HydrophobicContact CD1-CD1 4.5Å; Y213-Y245 HydrophobicContact CD2-CD1 4.25Å; Y213-Y245 AromaticContact CD2-CE1 3.66Å; Y213-Y245 HydrophobicContact CD2-CE1 3.66Å; Y213-Y245 AromaticContact CE1-CD1 3.82Å; Y213-Y245 HydrophobicContact CE1-CD1 3.82Å; Y213-Y245 HydrophobicContact CE1-CE1 4.22Å; Y213-Y245 AromaticContact CE2-CD1 3.54Å; Y213-Y245 HydrophobicContact CE2-CD1 3.54Å; Y213-Y245 AromaticContact CE2-CE1 3.16Å; Y213-Y245 HydrophobicContact CE2-CE1 3.16Å; Y213-Y245 HydrophobicContact CG-CE1 4.37Å; Y213-Y245 AromaticContact CZ-CD1 3.27Å; Y213-Y245 AromaticContact CZ-CE1 3.47Å; Y213-Y245 VanDerWaalsContact CZ-CE1 3.47Å; Y213-Y245 WeakPolarHBondContact OH-CD1 3.33Å; Y213-S246 WeakPolarHBondContact CE1-OG 3.38Å; Y213-S246 WeakPolarHBondContact OH-CA 3.33Å; Y213-S246 WeakPolarHBondContact OH-CB 3.35Å; Y213-S246 PolarHBondContact OH-N 3.42Å; Y213-S246 VanDerWaalsContact OH-N 3.08Å; Y213-S246 PolarHBondContact OH-OG 2.87Å; Y213-F311 HydrophobicContact CD1-CE1 4.44Å; Y213-F311 HydrophobicContact CE1-CD1 4.5Å; Y213-F311 HydrophobicContact CE1-CE1 4.06Å
214F94.2Very high91.4Very high2 Ų240.3 Ų40.31%0.00920%0.204CC..Hα-helixtrans-62.9-50.4-179.7178.7-99.4000112.5A202 T210 V211 L216 F217 L218 L460 A461 F464A202-F214 HydrophobicContact CB-CB 4.3Å; A202-F214 HydrophobicContact CB-CD2 4.44Å; T210-F214 WeakPolarHBondContact O-CB 3.47Å; T210-F214 PolarHBondContact O-N 3.35Å; V211-F214 PolarHBondContact O-N 3.02Å; F214-L216 PolarHBondContact O-N 3.19Å; F214-F217 PolarHBondContact O-N 3.3Å; F214-L218 HydrophobicContact CD1-CD1 4.14Å; F214-L218 HydrophobicContact CE1-CD1 3.45Å; F214-L218 VanDerWaalsContact CE1-CD1 3.45Å; F214-L218 HydrophobicContact CE1-CG 4.28Å; F214-L218 HydrophobicContact CE2-CD1 4.25Å; F214-L218 HydrophobicContact CE2-CG 4.42Å; F214-L218 HydrophobicContact CZ-CD1 3.52Å; F214-L218 HydrophobicContact CZ-CG 4.17Å; F214-L218 WeakPolarHBondContact O-CG 3.45Å; F214-L218 PolarHBondContact O-N 2.89Å; F214-L460 HydrophobicContact CZ-CB 4.04Å; F214-A461 HydrophobicContact CE1-CB 4.35Å; F214-F464 HydrophobicContact CB-CD2 4.17Å; F214-F464 HydrophobicContact CB-CE2 3.87Å; F214-F464 HydrophobicContact CB-CZ 4.22Å; F214-F464 HydrophobicContact CD1-CB 4.32Å; F214-F464 HydrophobicContact CD1-CD1 4.37Å; F214-F464 HydrophobicContact CD1-CD2 4.06Å; F214-F464 AromaticContact CD1-CG 3.97Å; F214-F464 HydrophobicContact CD1-CG 3.97Å; F214-F464 AromaticContact CD2-CD2 3.6Å; F214-F464 HydrophobicContact CD2-CD2 3.6Å; F214-F464 HydrophobicContact CD2-CE2 4.05Å; F214-F464 HydrophobicContact CD2-CG 4.26Å; F214-F464 HydrophobicContact CE1-CB 3.89Å; F214-F464 HydrophobicContact CE1-CD2 4.35Å; F214-F464 HydrophobicContact CE1-CG 4.05Å; F214-F464 HydrophobicContact CE2-CB 4.24Å; F214-F464 AromaticContact CE2-CD2 3.93Å; F214-F464 HydrophobicContact CE2-CD2 3.93Å; F214-F464 HydrophobicContact CE2-CG 4.33Å; F214-F464 AromaticContact CG-CD2 3.66Å; F214-F464 HydrophobicContact CG-CD2 3.66Å; F214-F464 AromaticContact CG-CE2 3.9Å; F214-F464 HydrophobicContact CG-CE2 3.9Å; F214-F464 HydrophobicContact CG-CG 4.07Å; F214-F464 HydrophobicContact CG-CZ 4.49Å; F214-F464 HydrophobicContact CZ-CB 3.83Å; F214-F464 HydrophobicContact CZ-CD2 4.28Å; F214-F464 HydrophobicContact CZ-CG 4.22Å
215L94.3Very high91.2Very high99 Ų9942.6 Ų42.652%0.51822%0.22SC..Hα-helixtrans-63.2-42.1178.9-67.5178.4000112V211 L218 L219V211-L215 HydrophobicContact CG1-CD1 3.82Å; V211-L215 HydrophobicContact CG1-CG 4.22Å; V211-L215 WeakPolarHBondContact O-CG 3.36Å; V211-L215 PolarHBondContact O-N 2.92Å; L215-L218 PolarHBondContact O-N 3.48Å; L215-L219 WeakPolarHBondContact O-CB 3.39Å; L215-L219 PolarHBondContact O-N 3.4Å
216L94.2Very high91.1Very high34 Ų3446 Ų4618%0.17824%0.242CC..Hα-helixtrans-68.4-39.4178.2178.560.2000111.8F198 P212 F214 L219 L220 L238 L242F198-L216 HydrophobicContact CE1-CG 4.49Å; F198-L216 HydrophobicContact CZ-CB 4.14Å; F198-L216 HydrophobicContact CZ-CD2 4.15Å; F198-L216 HydrophobicContact CZ-CG 3.97Å; P212-L216 WeakPolarHBondContact O-CB 3.42Å; P212-L216 PolarHBondContact O-N 3.41Å; F214-L216 PolarHBondContact O-N 3.19Å; L216-L219 HydrophobicContact CD1-CD2 4.47Å; L216-L219 PolarHBondContact O-N 3.42Å; L216-L220 HydrophobicContact CD1-CD1 4.45Å; L216-L220 HydrophobicContact CD1-CG 4.1Å; L216-L220 HydrophobicContact CG-CD1 4.42Å; L216-L220 HydrophobicContact CG-CG 4.45Å; L216-L220 WeakPolarHBondContact O-CB 3.33Å; L216-L220 WeakPolarHBondContact O-CG 3.46Å; L216-L220 PolarHBondContact O-N 3.06Å; L216-L238 HydrophobicContact CD1-CD1 3.69Å; L216-L238 HydrophobicContact CD1-CD2 4.18Å; L216-L238 HydrophobicContact CD1-CG 4.5Å; L216-L238 HydrophobicContact CD2-CD1 3.65Å; L216-L238 HydrophobicContact CD2-CG 4.34Å; L216-L238 HydrophobicContact CG-CD1 4.28Å; L216-L242 HydrophobicContact CD2-CD1 3.99Å; L216-L242 HydrophobicContact CD2-CD2 3.64Å; L216-L242 HydrophobicContact CD2-CG 3.82Å
217F93.4Very high90.7Very high12 Ų1255.7 Ų55.75%0.05328%0.278CS..Hα-helixtrans-59.7-49.9175174.3-98000110.6F198 C199 A202 Y213 F214 L219 L220 M221 V504F198-F217 HydrophobicContact CB-CD2 4.27Å; F198-F217 HydrophobicContact CD1-CB 4.26Å; F198-F217 AromaticContact CD1-CD2 3.68Å; F198-F217 HydrophobicContact CD1-CD2 3.68Å; F198-F217 HydrophobicContact CD1-CG 4.47Å; F198-F217 HydrophobicContact CD2-CB 4.37Å; F198-F217 HydrophobicContact CD2-CD2 4.49Å; F198-F217 HydrophobicContact CE1-CB 3.84Å; F198-F217 HydrophobicContact CE1-CD2 4.06Å; F198-F217 HydrophobicContact CE1-CG 4.47Å; F198-F217 HydrophobicContact CE2-CB 3.96Å; F198-F217 AromaticContact CG-CD2 3.91Å; F198-F217 HydrophobicContact CG-CD2 3.91Å; F198-F217 HydrophobicContact CZ-CB 3.68Å; C199-F217 HydrophobicContact CB-CD2 4.42Å; C199-F217 HydrophobicContact CB-CE1 4.32Å; C199-F217 HydrophobicContact CB-CE2 3.66Å; C199-F217 HydrophobicContact CB-CZ 3.61Å; A202-F217 HydrophobicContact CB-CB 4.15Å; A202-F217 HydrophobicContact CB-CG 4.4Å; Y213-F217 WeakPolarHBondContact O-CB 3.34Å; Y213-F217 PolarHBondContact O-N 2.91Å; F214-F217 PolarHBondContact O-N 3.3Å; F217-L219 PolarHBondContact O-N 2.85Å; F217-L220 PolarHBondContact O-N 2.98Å; F217-M221 HydrophobicContact CD1-CG 4.38Å; F217-M221 HydrophobicContact CD2-CG 4.42Å; F217-M221 HydrophobicContact CE1-CG 3.94Å; F217-M221 HydrophobicContact CE2-CG 4Å; F217-M221 HydrophobicContact CE2-SD 4.27Å; F217-M221 HydrophobicContact CZ-CG 3.73Å; F217-M221 HydrophobicContact CZ-SD 4.22Å; F217-M221 VanDerWaalsContact O-CG 3.3Å; F217-M221 WeakPolarHBondContact O-CG 2.98Å; F217-M221 PolarHBondContact O-N 3.34Å; F217-V504 HydrophobicContact CE1-CG1 3.66Å; F217-V504 HydrophobicContact CZ-CG1 4.22Å
218L92.2Very high90.3Very high17 Ų1762.3 Ų62.39%0.08931%0.307CS..Hα-helixtrans-57.5-51.6175.5-70.7-175.1000111F214 L215 L220 M221 T222 L460F214-L218 HydrophobicContact CD1-CD1 4.14Å; F214-L218 HydrophobicContact CE1-CD1 3.45Å; F214-L218 VanDerWaalsContact CE1-CD1 3.45Å; F214-L218 HydrophobicContact CE1-CG 4.28Å; F214-L218 HydrophobicContact CE2-CD1 4.25Å; F214-L218 HydrophobicContact CE2-CG 4.42Å; F214-L218 HydrophobicContact CZ-CD1 3.52Å; F214-L218 HydrophobicContact CZ-CG 4.17Å; F214-L218 WeakPolarHBondContact O-CG 3.45Å; F214-L218 PolarHBondContact O-N 2.89Å; L215-L218 PolarHBondContact O-N 3.48Å; L218-L220 VanDerWaalsContact C-N 3.32Å; L218-L220 PolarHBondContact O-N 2.9Å; L218-M221 PolarHBondContact O-N 3.29Å; L218-T222 PolarHBondContact O-N 3.39Å; L218-T222 PolarHBondContact O-OG1 2.8Å; L218-L460 HydrophobicContact CD2-CD1 4.01Å
219L92.2Very high89.7Confident97 Ų9760.7 Ų60.751%0.50830%0.301SS..Hα-helixtrans-55-45.4179.3178.766.7000112.5L215 L216 F217 T222 L223L215-L219 WeakPolarHBondContact O-CB 3.39Å; L215-L219 PolarHBondContact O-N 3.4Å; L216-L219 HydrophobicContact CD1-CD2 4.47Å; L216-L219 PolarHBondContact O-N 3.42Å; F217-L219 PolarHBondContact O-N 2.85Å; L219-T222 PolarHBondContact O-N 3.23Å; L219-L223 HydrophobicContact CD1-CD1 4.28Å; L219-L223 HydrophobicContact CD1-CG 4.31Å; L219-L223 HydrophobicContact CG-CD1 4Å; L219-L223 HydrophobicContact CG-CG 4.43Å; L219-L223 WeakPolarHBondContact O-CB 3.46Å; L219-L223 WeakPolarHBondContact O-CG 3.39Å; L219-L223 PolarHBondContact O-N 3.42Å
220L90.5Very high89.2Confident27 Ų2759 Ų5914%0.14130%0.297CS..Hα-helixtrans-64.7-42.5177.8-70.9-176.1000111.5F198 L216 F217 L218 T222 L223 W224 P230 L238F198-L220 HydrophobicContact CE1-CD1 3.88Å; L216-L220 HydrophobicContact CD1-CD1 4.45Å; L216-L220 HydrophobicContact CD1-CG 4.1Å; L216-L220 HydrophobicContact CG-CD1 4.42Å; L216-L220 HydrophobicContact CG-CG 4.45Å; L216-L220 WeakPolarHBondContact O-CB 3.33Å; L216-L220 WeakPolarHBondContact O-CG 3.46Å; L216-L220 PolarHBondContact O-N 3.06Å; F217-L220 PolarHBondContact O-N 2.98Å; L218-L220 VanDerWaalsContact C-N 3.32Å; L218-L220 PolarHBondContact O-N 2.9Å; L220-T222 VanDerWaalsContact C-N 3.35Å; L220-T222 PolarHBondContact O-N 2.96Å; L220-L223 HydrophobicContact CD2-CD1 4.4Å; L220-L223 PolarHBondContact O-N 2.96Å; L220-W224 WeakPolarHBondContact O-CB 3.17Å; L220-W224 PolarHBondContact O-N 3.08Å; L220-P230 HydrophobicContact CD2-CG 4.37Å; L220-L238 HydrophobicContact CD1-CD2 3.85Å; L220-L238 HydrophobicContact CD2-CD2 3.75Å; L220-L238 HydrophobicContact CG-CD2 4.27Å
221M87.1Confident88.8Confident75 Ų7561.7 Ų61.737%0.36932%0.316SS..Hα-helixtrans-62.7-41176.2-68.8-58.3-63.500111.8F217 L218 W224 S225F217-M221 HydrophobicContact CD1-CG 4.38Å; F217-M221 HydrophobicContact CD2-CG 4.42Å; F217-M221 HydrophobicContact CE1-CG 3.94Å; F217-M221 HydrophobicContact CE2-CG 4Å; F217-M221 HydrophobicContact CE2-SD 4.27Å; F217-M221 HydrophobicContact CZ-CG 3.73Å; F217-M221 HydrophobicContact CZ-SD 4.22Å; F217-M221 VanDerWaalsContact O-CG 3.3Å; F217-M221 WeakPolarHBondContact O-CG 2.98Å; F217-M221 PolarHBondContact O-N 3.34Å; L218-M221 PolarHBondContact O-N 3.29Å; M221-W224 PolarHBondContact O-N 2.94Å; M221-S225 WeakPolarHBondContact O-CB 3.4Å; M221-S225 PolarHBondContact O-N 3.4Å
222T89.7Confident88.2Confident34 Ų3460.5 Ų60.521%0.20931%0.309CS..Hα-helixtrans-63.6-45.5174.5-37.90000111.2L218 L219 L220 W224 S225 V226 L453 E457L218-T222 PolarHBondContact O-N 3.39Å; L218-T222 PolarHBondContact O-OG1 2.8Å; L219-T222 PolarHBondContact O-N 3.23Å; L220-T222 VanDerWaalsContact C-N 3.35Å; L220-T222 PolarHBondContact O-N 2.96Å; T222-W224 VanDerWaalsContact C-N 3.3Å; T222-W224 PolarHBondContact O-N 3.07Å; T222-S225 WeakPolarHBondContact O-CB 3.39Å; T222-S225 PolarHBondContact O-N 2.95Å; T222-V226 WeakPolarHBondContact O-CG2 3.42Å; T222-V226 PolarHBondContact O-N 3.42Å; T222-L453 HydrophobicContact CG2-CD2 4.26Å; T222-E457 WeakPolarHBondContact CB-OE1 3.48Å; T222-E457 WeakPolarHBondContact CG2-OE1 3.28Å; T222-E457 PolarHBondContact OG1-OE1 3.4Å
223L89.4Confident87.9Confident52 Ų5261.8 Ų61.827%0.27232%0.317SS..Hα-helixtrans-61-41.5178.7-75.6173.1000111.5L219 L220 V226 Y227 K228L219-L223 HydrophobicContact CD1-CD1 4.28Å; L219-L223 HydrophobicContact CD1-CG 4.31Å; L219-L223 HydrophobicContact CG-CD1 4Å; L219-L223 HydrophobicContact CG-CG 4.43Å; L219-L223 WeakPolarHBondContact O-CB 3.46Å; L219-L223 WeakPolarHBondContact O-CG 3.39Å; L219-L223 PolarHBondContact O-N 3.42Å; L220-L223 HydrophobicContact CD2-CD1 4.4Å; L220-L223 PolarHBondContact O-N 2.96Å; L223-V226 PolarHBondContact O-N 2.84Å; L223-Y227 PolarHBondContact O-N 3.38Å; L223-K228 HydrophobicContact CD2-CB 4.23Å; L223-K228 PolarHBondContact O-N 3.17Å
224W83.4Confident87.5Confident122 Ų12265.6 Ų65.646%0.46234%0.34SS..Hα-helixtrans-62.3-45.7172.8-86.258.4000112.7I178 L220 M221 T222 V226 Y227I178-W224 HydrophobicContact CB-CZ2 4.34Å; I178-W224 HydrophobicContact CG2-CD2 4.48Å; I178-W224 HydrophobicContact CG2-CH2 4.49Å; I178-W224 HydrophobicContact CG2-CZ2 3.35Å; I178-W224 WeakPolarHBondContact O-CH2 3.42Å; I178-W224 WeakPolarHBondContact O-CZ2 3.48Å; L220-W224 WeakPolarHBondContact O-CB 3.17Å; L220-W224 PolarHBondContact O-N 3.08Å; M221-W224 PolarHBondContact O-N 2.94Å; T222-W224 VanDerWaalsContact C-N 3.3Å; T222-W224 PolarHBondContact O-N 3.07Å; W224-V226 PolarHBondContact O-N 2.73Å; W224-Y227 PolarHBondContact O-N 3.02Å
225S83.5Confident87.1Confident50 Ų5065.7 Ų65.735%0.3534%0.341SS..Hα-helixtrans-59.1-35.8178.2-175.10000112.1M221 T222 Y227M221-S225 WeakPolarHBondContact O-CB 3.4Å; M221-S225 PolarHBondContact O-N 3.4Å; T222-S225 WeakPolarHBondContact O-CB 3.39Å; T222-S225 PolarHBondContact O-N 2.95Å; S225-Y227 PolarHBondContact O-N 3.41Å
226V86Confident86.8Confident84 Ų8470 Ų7051%0.50935%0.351SS..THydrogen-bonded Turntrans-85.810.2178.1-174.20000112.4T222 L223 W224 K228T222-V226 WeakPolarHBondContact O-CG2 3.42Å; T222-V226 PolarHBondContact O-N 3.42Å; L223-V226 PolarHBondContact O-N 2.84Å; W224-V226 PolarHBondContact O-N 2.73Å; V226-K228 HydrophobicContact CG1-CD 4.36Å; V226-K228 HydrophobicContact CG1-CG 4.32Å; V226-K228 PolarHBondContact O-N 3.37Å; V226-K228 VanDerWaalsContact O-N 3.14Å
227Y80.9Confident86.5Confident217 Ų21772.9 Ų72.985%0.85137%0.37SS*.THydrogen-bonded Turntrans55.226.4-176.6-63.5-91.1000113.9L223 W224 S225L223-Y227 PolarHBondContact O-N 3.38Å; W224-Y227 PolarHBondContact O-N 3.02Å; S225-Y227 PolarHBondContact O-N 3.41Å
228K82.8Confident86.5Confident138 Ų13873.8 Ų73.860%0.638%0.375SS*.  trans-10092.1175.5-74.7-172.1179.3-179.30109.7L223 V226L223-K228 HydrophobicContact CD2-CB 4.23Å; L223-K228 PolarHBondContact O-N 3.17Å; V226-K228 HydrophobicContact CG1-CD 4.36Å; V226-K228 HydrophobicContact CG1-CG 4.32Å; V226-K228 PolarHBondContact O-N 3.37Å; V226-K228 VanDerWaalsContact O-N 3.14Å
229V80.2Confident86.4Confident63 Ų6373.7 Ų73.738%0.38238%0.375SS..PPolyproline II helixtrans-76.3131.8174.6-171.70000109.3T175 I178 V179T175-V229 HydrophobicContact CG2-CG1 3.84Å; I178-V229 HydrophobicContact CB-CG1 4.38Å; I178-V229 HydrophobicContact CG2-CG1 4.19Å; V179-V229 HydrophobicContact CG2-CG1 3.95Å; V179-V229 HydrophobicContact CG2-CG2 3.78Å
230P82.4Confident86.3Confident16 Ų1673.2 Ų73.210%0.10438%0.376CS..PPolyproline II helixtrans-55.6140.5173.4-2534.3000111.2I178 L220 V234 A235I178-P230 HydrophobicContact CD1-CB 4.15Å; I178-P230 HydrophobicContact CD1-CG 3.81Å; L220-P230 HydrophobicContact CD2-CG 4.37Å; P230-V234 HydrophobicContact CB-CB 4.46Å; P230-V234 HydrophobicContact CB-CG1 4.19Å; P230-A235 HydrophobicContact CB-CB 4.48Å
231S85.1Confident86.4Confident58 Ų5876.9 Ų76.941%0.40640%0.395SS..PPolyproline II helixtrans-61.8148.8175.267.20000110.3P233 V234 A235S231-P233 VanDerWaalsContact C-CD 3.43Å; S231-V234 WeakPolarHBondContact O-CA 3.1Å; S231-V234 WeakPolarHBondContact O-CB 3.26Å; S231-V234 PolarHBondContact O-N 3.29Å; S231-V234 VanDerWaalsContact OG-CG2 3.23Å; S231-V234 WeakPolarHBondContact OG-CG2 3.22Å; S231-A235 PolarHBondContact O-N 3.38Å
232P81.9Confident86.8Confident17 Ų1774 Ų7411%0.1138%0.381CS..Hα-helixtrans-43.4-47.1178.8-38.142.5000117.4L171 N174 T175 V234 A235 R236L171-P232 HydrophobicContact CG-CG 4.23Å; L171-P232 WeakPolarHBondContact O-CG 3.21Å; N174-P232 HydrophobicContact CB-CB 3.56Å; N174-P232 HydrophobicContact CB-CG 4.1Å; T175-P232 HydrophobicContact CG2-CG 4.25Å; P232-V234 VanDerWaalsContact C-N 3.32Å; P232-V234 PolarHBondContact O-N 2.93Å; P232-A235 PolarHBondContact O-N 3.4Å; P232-R236 PolarHBondContact O-N 3.49Å
233P86.9Confident87Confident83 Ų8373.4 Ų73.454%0.53938%0.377SS..Hα-helixtrans-66.6-35.4177.827.2-35.5000112.2S231 R236 T237S231-P233 VanDerWaalsContact C-CD 3.43Å; P233-R236 PolarHBondContact O-N 3.13Å; P233-T237 WeakPolarHBondContact O-CB 3.23Å; P233-T237 PolarHBondContact O-N 3.25Å; P233-T237 PolarHBondContact O-OG1 3.34Å
234V88.2Confident87.2Confident80 Ų8075.9 Ų75.949%0.48539%0.39SS..Hα-helixtrans-68.5-45.5178.1175.70000110.1P230 S231 P232 R236 T237 L238P230-V234 HydrophobicContact CB-CB 4.46Å; P230-V234 HydrophobicContact CB-CG1 4.19Å; S231-V234 WeakPolarHBondContact O-CA 3.1Å; S231-V234 WeakPolarHBondContact O-CB 3.26Å; S231-V234 PolarHBondContact O-N 3.29Å; S231-V234 VanDerWaalsContact OG-CG2 3.23Å; S231-V234 WeakPolarHBondContact OG-CG2 3.22Å; P232-V234 VanDerWaalsContact C-N 3.32Å; P232-V234 PolarHBondContact O-N 2.93Å; V234-R236 VanDerWaalsContact C-N 3.34Å; V234-R236 PolarHBondContact O-N 3.43Å; V234-T237 PolarHBondContact O-N 2.95Å; V234-L238 WeakPolarHBondContact O-CB 3.17Å; V234-L238 PolarHBondContact O-N 2.89Å
235A85.9Confident87.8Confident4 Ų472.4 Ų72.43%0.03338%0.377CS..Hα-helixtrans-56.5-47.6174.500000111.5I178 P230 S231 P232 T237 L238 V239I178-A235 HydrophobicContact CD1-CB 3.68Å; I178-A235 HydrophobicContact CG1-CB 4.47Å; P230-A235 HydrophobicContact CB-CB 4.48Å; S231-A235 PolarHBondContact O-N 3.38Å; P232-A235 PolarHBondContact O-N 3.4Å; A235-T237 VanDerWaalsContact C-N 3.35Å; A235-T237 PolarHBondContact O-N 3.38Å; A235-L238 WeakPolarHBondContact O-CB 3.27Å; A235-L238 PolarHBondContact O-N 3.34Å; A235-V239 WeakPolarHBondContact O-CG2 3.45Å; A235-V239 PolarHBondContact O-N 3.04Å
236R86.2Confident88.3Confident189 Ų18970 Ų7071%0.71336%0.36SS*.Hα-helixtrans-61.4-42.5176.6-175.1177.5179.1-1750.3112.4P232 P233 V234 L238 V239 V240P232-R236 PolarHBondContact O-N 3.49Å; P233-R236 PolarHBondContact O-N 3.13Å; V234-R236 VanDerWaalsContact C-N 3.34Å; V234-R236 PolarHBondContact O-N 3.43Å; R236-L238 VanDerWaalsContact C-N 3.29Å; R236-L238 PolarHBondContact O-N 3.5Å; R236-V239 PolarHBondContact O-N 3.45Å; R236-V240 WeakPolarHBondContact O-CG2 3.34Å; R236-V240 PolarHBondContact O-N 3.31Å; R236-V240 VanDerWaalsContact O-N 3.09Å
237T89.4Confident88.8Confident95 Ų9567 Ų6758%0.58334%0.343SS*.Hα-helixtrans-62.8-41.3178.1-57.30000110.5P233 V234 A235 V240 L241P233-T237 WeakPolarHBondContact O-CB 3.23Å; P233-T237 PolarHBondContact O-N 3.25Å; P233-T237 PolarHBondContact O-OG1 3.34Å; V234-T237 PolarHBondContact O-N 2.95Å; A235-T237 VanDerWaalsContact C-N 3.35Å; A235-T237 PolarHBondContact O-N 3.38Å; T237-V240 PolarHBondContact O-N 3.25Å; T237-L241 WeakPolarHBondContact O-CB 3.01Å; T237-L241 PolarHBondContact O-N 3.24Å
238L92Very high89.5Confident32 Ų3260.6 Ų60.617%0.16832%0.323CS..Hα-helixtrans-64.1-44.4178.5-172.865.7000112.4L216 L220 V234 A235 R236 V240 L241 L242L216-L238 HydrophobicContact CD1-CD1 3.69Å; L216-L238 HydrophobicContact CD1-CD2 4.18Å; L216-L238 HydrophobicContact CD1-CG 4.5Å; L216-L238 HydrophobicContact CD2-CD1 3.65Å; L216-L238 HydrophobicContact CD2-CG 4.34Å; L216-L238 HydrophobicContact CG-CD1 4.28Å; L220-L238 HydrophobicContact CD1-CD2 3.85Å; L220-L238 HydrophobicContact CD2-CD2 3.75Å; L220-L238 HydrophobicContact CG-CD2 4.27Å; V234-L238 WeakPolarHBondContact O-CB 3.17Å; V234-L238 PolarHBondContact O-N 2.89Å; A235-L238 WeakPolarHBondContact O-CB 3.27Å; A235-L238 PolarHBondContact O-N 3.34Å; R236-L238 VanDerWaalsContact C-N 3.29Å; R236-L238 PolarHBondContact O-N 3.5Å; L238-V240 PolarHBondContact O-N 3.43Å; L238-L241 PolarHBondContact O-N 2.88Å; L238-L242 HydrophobicContact CG-CD1 4.2Å; L238-L242 WeakPolarHBondContact O-CB 3.36Å; L238-L242 WeakPolarHBondContact O-CG 3.39Å; L238-L242 PolarHBondContact O-N 3.25Å
239V90.7Very high90.1Very high14 Ų1454 Ų549%0.08529%0.294CS..Hα-helixtrans-59.5-46.3175.7171.10000110.9L177 A235 R236 L241 L242 L243 L315L177-V239 HydrophobicContact CD1-CG2 4.33Å; L177-V239 HydrophobicContact CD2-CG2 3.54Å; A235-V239 WeakPolarHBondContact O-CG2 3.45Å; A235-V239 PolarHBondContact O-N 3.04Å; R236-V239 PolarHBondContact O-N 3.45Å; V239-L241 PolarHBondContact O-N 2.88Å; V239-L242 PolarHBondContact O-N 2.87Å; V239-L243 HydrophobicContact CG1-CD1 4.03Å; V239-L243 WeakPolarHBondContact O-CB 3.46Å; V239-L243 VanDerWaalsContact O-CG 3.31Å; V239-L243 WeakPolarHBondContact O-CG 3.22Å; V239-L243 PolarHBondContact O-N 3.37Å; V239-L315 HydrophobicContact CG1-CD1 4.01Å; V239-L315 HydrophobicContact CG1-CG 4.13Å; V239-L315 HydrophobicContact CG2-CD1 4.23Å
240V90.2Very high90.8Very high88 Ų8852.3 Ų52.353%0.53328%0.282SS..Hα-helixtrans-63.2-42.9178.3173.30000111.3R236 T237 L238 L243 L244R236-V240 WeakPolarHBondContact O-CG2 3.34Å; R236-V240 PolarHBondContact O-N 3.31Å; R236-V240 VanDerWaalsContact O-N 3.09Å; T237-V240 PolarHBondContact O-N 3.25Å; L238-V240 PolarHBondContact O-N 3.43Å; V240-L243 PolarHBondContact O-N 2.97Å; V240-L244 WeakPolarHBondContact O-CB 3.35Å; V240-L244 PolarHBondContact O-N 3.37Å
241L93.6Very high91.4Very high103 Ų10353.1 Ų53.154%0.53929%0.287SS..Hα-helixtrans-63.3-44177.6-178.564.5000111.7T237 L238 V239 L244 Y245T237-L241 WeakPolarHBondContact O-CB 3.01Å; T237-L241 PolarHBondContact O-N 3.24Å; L238-L241 PolarHBondContact O-N 2.88Å; V239-L241 PolarHBondContact O-N 2.88Å; L241-L244 PolarHBondContact O-N 2.83Å; L241-Y245 VanDerWaalsContact O-CB 3.27Å; L241-Y245 WeakPolarHBondContact O-CB 3.33Å; L241-Y245 PolarHBondContact O-N 3.42Å
242L94.1Very high91.8Very high14 Ų1451.2 Ų51.27%0.07328%0.275CS..Hα-helixtrans-61-46.1175.8-85.4168.2000111.6F198 Y213 L216 L238 V239 L244 Y245 S246 F311 L315F198-L242 HydrophobicContact CE2-CD2 4.48Å; F198-L242 HydrophobicContact CZ-CD2 4.46Å; Y213-L242 HydrophobicContact CD1-CD2 4.06Å; Y213-L242 HydrophobicContact CE1-CD2 4.04Å; L216-L242 HydrophobicContact CD2-CD1 3.99Å; L216-L242 HydrophobicContact CD2-CD2 3.64Å; L216-L242 HydrophobicContact CD2-CG 3.82Å; L238-L242 HydrophobicContact CG-CD1 4.2Å; L238-L242 WeakPolarHBondContact O-CB 3.36Å; L238-L242 WeakPolarHBondContact O-CG 3.39Å; L238-L242 PolarHBondContact O-N 3.25Å; V239-L242 PolarHBondContact O-N 2.87Å; L242-L244 VanDerWaalsContact C-N 3.35Å; L242-L244 PolarHBondContact O-N 2.74Å; L242-Y245 PolarHBondContact O-N 3.07Å; L242-S246 WeakPolarHBondContact O-CB 3.41Å; L242-S246 PolarHBondContact O-N 3.36Å; L242-S246 PolarHBondContact O-OG 3.27Å; L242-S246 VanDerWaalsContact O-OG 3.07Å; L242-F311 HydrophobicContact CD1-CZ 4.36Å; L242-F311 HydrophobicContact CD2-CE1 4.24Å; L242-F311 HydrophobicContact CD2-CZ 4.2Å; L242-L315 HydrophobicContact CB-CD2 3.61Å; L242-L315 HydrophobicContact CD1-CD2 4.34Å
243L93.4Very high92.3Very high23 Ų2350.7 Ų50.712%0.1227%0.271CS..Hα-helixtrans-60.6-43.7176.7-73.6170.9000111.9V239 V240 S247 Y312 L315 A316V239-L243 HydrophobicContact CG1-CD1 4.03Å; V239-L243 WeakPolarHBondContact O-CB 3.46Å; V239-L243 VanDerWaalsContact O-CG 3.31Å; V239-L243 WeakPolarHBondContact O-CG 3.22Å; V239-L243 PolarHBondContact O-N 3.37Å; V240-L243 PolarHBondContact O-N 2.97Å; L243-S247 WeakPolarHBondContact O-CB 3.4Å; L243-S247 PolarHBondContact O-N 3Å; L243-S247 PolarHBondContact O-OG 2.97Å; L243-Y312 HydrophobicContact CB-CE2 4.39Å; L243-Y312 HydrophobicContact CD2-CD2 3.76Å; L243-Y312 HydrophobicContact CD2-CE2 3.69Å; L243-L315 HydrophobicContact CD2-CB 4.06Å; L243-L315 HydrophobicContact CD2-CD2 3.88Å; L243-L315 HydrophobicContact CD2-CG 3.92Å; L243-L315 HydrophobicContact CG-CD2 3.84Å; L243-L315 HydrophobicContact CG-CG 4.09Å; L243-A316 HydrophobicContact CD2-CB 3.83Å
244L93.9Very high92.6Very high104 Ų10448.5 Ų48.555%0.54525%0.252SS..Hα-helixtrans-64.4-47.1177.7-179.664.4000110.8V240 L241 L242 S247 I248V240-L244 WeakPolarHBondContact O-CB 3.35Å; V240-L244 PolarHBondContact O-N 3.37Å; L241-L244 PolarHBondContact O-N 2.83Å; L242-L244 VanDerWaalsContact C-N 3.35Å; L242-L244 PolarHBondContact O-N 2.74Å; L244-S247 WeakPolarHBondContact O-CB 2.95Å; L244-S247 PolarHBondContact O-N 2.92Å; L244-I248 HydrophobicContact CD1-CD1 4.21Å; L244-I248 HydrophobicContact CG-CD1 4Å; L244-I248 WeakPolarHBondContact O-CG1 3.18Å; L244-I248 PolarHBondContact O-N 3.39Å
245Y96Very high92.7Very high49 Ų4947.3 Ų47.319%0.19224%0.243CC..Hα-helixtrans-64.5-41.6-179.5-174.5-112.9000112W209 P212 Y213 L241 L242 I248 N249W209-Y245 AromaticContact CE3-CE2 3.77Å; W209-Y245 HydrophobicContact CE3-CE2 3.77Å; W209-Y245 AromaticContact CE3-CZ 3.7Å; W209-Y245 HydrophobicContact CZ3-CD2 4.33Å; W209-Y245 AromaticContact CZ3-CE2 3.62Å; W209-Y245 HydrophobicContact CZ3-CE2 3.62Å; W209-Y245 PolarHBondContact O-OH 3.27Å; P212-Y245 HydrophobicContact CB-CE1 3.88Å; P212-Y245 WeakPolarHBondContact CD-OH 3.49Å; P212-Y245 HydrophobicContact CG-CE1 4.17Å; P212-Y245 HydrophobicContact CG-CE2 4.42Å; P212-Y245 VanDerWaalsContact CG-OH 3.29Å; P212-Y245 WeakPolarHBondContact CG-OH 3.49Å; Y213-Y245 HydrophobicContact CD1-CD1 4.5Å; Y213-Y245 HydrophobicContact CD2-CD1 4.25Å; Y213-Y245 AromaticContact CD2-CE1 3.66Å; Y213-Y245 HydrophobicContact CD2-CE1 3.66Å; Y213-Y245 AromaticContact CE1-CD1 3.82Å; Y213-Y245 HydrophobicContact CE1-CD1 3.82Å; Y213-Y245 HydrophobicContact CE1-CE1 4.22Å; Y213-Y245 AromaticContact CE2-CD1 3.54Å; Y213-Y245 HydrophobicContact CE2-CD1 3.54Å; Y213-Y245 AromaticContact CE2-CE1 3.16Å; Y213-Y245 HydrophobicContact CE2-CE1 3.16Å; Y213-Y245 HydrophobicContact CG-CE1 4.37Å; Y213-Y245 AromaticContact CZ-CD1 3.27Å; Y213-Y245 AromaticContact CZ-CE1 3.47Å; Y213-Y245 VanDerWaalsContact CZ-CE1 3.47Å; Y213-Y245 WeakPolarHBondContact OH-CD1 3.33Å; L241-Y245 VanDerWaalsContact O-CB 3.27Å; L241-Y245 WeakPolarHBondContact O-CB 3.33Å; L241-Y245 PolarHBondContact O-N 3.42Å; L242-Y245 PolarHBondContact O-N 3.07Å; Y245-I248 PolarHBondContact O-N 2.96Å; Y245-N249 WeakPolarHBondContact O-CB 3.4Å; Y245-N249 PolarHBondContact O-N 3.22Å
246S95.6Very high93Very high0 Ų047.2 Ų47.20%024%0.242CC..Hα-helixtrans-63.8-38.7172.8-62.70000112.8Y213 L242 N249 L250Y213-S246 WeakPolarHBondContact CE1-OG 3.38Å; Y213-S246 WeakPolarHBondContact OH-CA 3.33Å; Y213-S246 WeakPolarHBondContact OH-CB 3.35Å; Y213-S246 PolarHBondContact OH-N 3.42Å; Y213-S246 VanDerWaalsContact OH-N 3.08Å; Y213-S246 PolarHBondContact OH-OG 2.87Å; L242-S246 WeakPolarHBondContact O-CB 3.41Å; L242-S246 PolarHBondContact O-N 3.36Å; L242-S246 PolarHBondContact O-OG 3.27Å; L242-S246 VanDerWaalsContact O-OG 3.07Å; S246-N249 PolarHBondContact O-N 2.9Å; S246-L250 WeakPolarHBondContact O-CB 3.31Å; S246-L250 WeakPolarHBondContact O-CG 3.47Å; S246-L250 PolarHBondContact O-N 2.85Å
247S94.6Very high93.1Very high21 Ų2139 Ų3915%0.14721%0.211CC..Hα-helixtrans-63.1-47.5175-57.90000111.6L243 L244 N249 L250 V251 Y312L243-S247 WeakPolarHBondContact O-CB 3.4Å; L243-S247 PolarHBondContact O-N 3Å; L243-S247 PolarHBondContact O-OG 2.97Å; L244-S247 WeakPolarHBondContact O-CB 2.95Å; L244-S247 PolarHBondContact O-N 2.92Å; S247-N249 VanDerWaalsContact C-N 3.32Å; S247-N249 PolarHBondContact O-N 3.01Å; S247-L250 PolarHBondContact O-N 3.35Å; S247-V251 WeakPolarHBondContact O-CB 3.43Å; S247-V251 VanDerWaalsContact O-CG2 3.28Å; S247-V251 WeakPolarHBondContact O-CG2 3.4Å; S247-V251 PolarHBondContact O-N 3.3Å; S247-Y312 WeakPolarHBondContact OG-CE2 3.28Å
248I95.9Very high92.9Very high82 Ų8234.9 Ų34.942%0.42119%0.186SC..Hα-helixtrans-60.8-43.4178.3-67.2166.3000110.5W209 L244 Y245 V251 A252W209-I248 HydrophobicContact CH2-CG2 3.73Å; W209-I248 HydrophobicContact CZ3-CG2 4.05Å; L244-I248 HydrophobicContact CD1-CD1 4.21Å; L244-I248 HydrophobicContact CG-CD1 4Å; L244-I248 WeakPolarHBondContact O-CG1 3.18Å; L244-I248 PolarHBondContact O-N 3.39Å; Y245-I248 PolarHBondContact O-N 2.96Å; I248-V251 PolarHBondContact O-N 3.04Å; I248-A252 WeakPolarHBondContact O-CB 3.47Å; I248-A252 PolarHBondContact O-N 3.13Å
249N95.6Very high92.4Very high0 Ų035.6 Ų35.60%019%0.186CC..Hα-helixtrans-63-47.9178.9-171.1-0.6000111.8W209 Y245 S246 S247 V251 A252 L253 Y304 I308W209-N249 HydrophobicContact CE3-CB 4.01Å; W209-N249 HydrophobicContact CZ3-CB 4.41Å; Y245-N249 WeakPolarHBondContact O-CB 3.4Å; Y245-N249 PolarHBondContact O-N 3.22Å; S246-N249 PolarHBondContact O-N 2.9Å; S247-N249 VanDerWaalsContact C-N 3.32Å; S247-N249 PolarHBondContact O-N 3.01Å; N249-V251 VanDerWaalsContact C-N 3.34Å; N249-V251 PolarHBondContact O-N 3.23Å; N249-A252 PolarHBondContact O-N 2.97Å; N249-L253 WeakPolarHBondContact O-CG 3.22Å; N249-L253 PolarHBondContact O-N 3.22Å; N249-Y304 PolarHBondContact ND2-OH 3.48Å; N249-Y304 PolarHBondContact OD1-OH 3.39Å; N249-I308 WeakPolarHBondContact ND2-CD1 3.22Å
250L95.1Very high91.9Very high26 Ų2636.2 Ų36.214%0.13619%0.191CC..Hα-helixtrans-60.4-42.1176.3-73.1168.9000112.2L36 S246 S247 L253 Y254 I308 F309L36-L250 HydrophobicContact CD1-CB 4.49Å; L36-L250 HydrophobicContact CD2-CD1 3.81Å; S246-L250 WeakPolarHBondContact O-CB 3.31Å; S246-L250 WeakPolarHBondContact O-CG 3.47Å; S246-L250 PolarHBondContact O-N 2.85Å; S247-L250 PolarHBondContact O-N 3.35Å; L250-L253 PolarHBondContact O-N 3.03Å; L250-Y254 WeakPolarHBondContact O-CB 3.27Å; L250-Y254 PolarHBondContact O-N 2.92Å; L250-I308 HydrophobicContact CD1-CG2 4.07Å; L250-I308 HydrophobicContact CD2-CB 4.03Å; L250-I308 HydrophobicContact CD2-CG2 3.85Å; L250-I308 HydrophobicContact CG-CB 4.44Å; L250-I308 HydrophobicContact CG-CG2 3.7Å; L250-F309 HydrophobicContact CD1-CB 4.47Å; L250-F309 HydrophobicContact CD1-CD2 4.3Å; L250-F309 HydrophobicContact CD2-CB 4.29Å
251V94.7Very high91.6Very high34 Ų3434.8 Ų34.821%0.20618%0.18CC..Hα-helixtrans-64.4-42.3175.8170.30000111L29 I33 L36 S247 I248 N249 Y254 L255L29-V251 HydrophobicContact CD1-CG1 4.13Å; I33-V251 HydrophobicContact CG1-CG2 4.25Å; L36-V251 HydrophobicContact CD1-CG2 3.96Å; S247-V251 WeakPolarHBondContact O-CB 3.43Å; S247-V251 VanDerWaalsContact O-CG2 3.28Å; S247-V251 WeakPolarHBondContact O-CG2 3.4Å; S247-V251 PolarHBondContact O-N 3.3Å; I248-V251 PolarHBondContact O-N 3.04Å; N249-V251 VanDerWaalsContact C-N 3.34Å; N249-V251 PolarHBondContact O-N 3.23Å; V251-Y254 PolarHBondContact O-N 3.06Å; V251-L255 HydrophobicContact CG1-CD1 3.88Å; V251-L255 HydrophobicContact CG1-CG 4.27Å; V251-L255 WeakPolarHBondContact O-CB 3.33Å; V251-L255 VanDerWaalsContact O-CG 3.29Å; V251-L255 WeakPolarHBondContact O-CG 3.3Å; V251-L255 PolarHBondContact O-N 3.44Å
252A94.1Very high91.2Very high17 Ų1730.7 Ų30.714%0.1416%0.158CC..Hα-helixtrans-63.4-43.4177.200000112W209 I248 N249 Y254 L255 Y256 F277W209-A252 HydrophobicContact CZ2-CB 4.02Å; I248-A252 WeakPolarHBondContact O-CB 3.47Å; I248-A252 PolarHBondContact O-N 3.13Å; N249-A252 PolarHBondContact O-N 2.97Å; A252-Y254 VanDerWaalsContact C-N 3.33Å; A252-Y254 PolarHBondContact O-N 3.19Å; A252-L255 PolarHBondContact O-N 2.98Å; A252-Y256 PolarHBondContact O-N 3.47Å; A252-F277 HydrophobicContact CB-CE1 4.14Å; A252-F277 HydrophobicContact CB-CZ 4.45Å
253L93Very high90.7Very high7 Ų734.5 Ų34.54%0.03718%0.182CC..Hα-helixtrans-62.1-40.8175.2-71.8172.2000112.1N249 L250 Q257 Y304 P305 I308N249-L253 WeakPolarHBondContact O-CG 3.22Å; N249-L253 PolarHBondContact O-N 3.22Å; L250-L253 PolarHBondContact O-N 3.03Å; L253-Q257 WeakPolarHBondContact O-CG 3.48Å; L253-Q257 PolarHBondContact O-NE2 3.26Å; L253-Y304 HydrophobicContact CD1-CD1 4.09Å; L253-Y304 HydrophobicContact CD1-CE1 3.68Å; L253-Y304 HydrophobicContact CD2-CD1 4.5Å; L253-Y304 HydrophobicContact CD2-CE1 4.03Å; L253-Y304 HydrophobicContact CG-CE1 4.42Å; L253-P305 HydrophobicContact CD1-CB 4.33Å; L253-I308 HydrophobicContact CD1-CD1 3.99Å
254Y92.1Very high90.3Very high37 Ų3740.7 Ų40.715%0.14521%0.21CC..Hα-helixtrans-65.1-48.5175.8-175.2-77.5000111.5S20 R23 P24 C25 S28 L29 L250 V251 A252 Y256 Q257S20-Y254 WeakPolarHBondContact O-CE2 3.25Å; R23-Y254 PolarHBondContact O-OH 3.21Å; P24-Y254 WeakPolarHBondContact CA-OH 3.43Å; C25-Y254 PolarHBondContact N-OH 2.87Å; C25-Y254 VanDerWaalsContact N-OH 3.14Å; C25-Y254 WeakPolarHBondContact O-CE1 3.37Å; C25-Y254 PolarHBondContact O-OH 3.36Å; S28-Y254 WeakPolarHBondContact CB-OH 3.45Å; L29-Y254 HydrophobicContact CB-CD1 3.96Å; L29-Y254 HydrophobicContact CB-CE1 3.53Å; L29-Y254 HydrophobicContact CD1-CD1 3.37Å; L29-Y254 HydrophobicContact CD1-CE1 3.9Å; L29-Y254 HydrophobicContact CD1-CG 3.82Å; L29-Y254 HydrophobicContact CG-CD1 4.12Å; L29-Y254 HydrophobicContact CG-CE1 4.22Å; L29-Y254 PolarHBondContact N-OH 3.2Å; L250-Y254 WeakPolarHBondContact O-CB 3.27Å; L250-Y254 PolarHBondContact O-N 2.92Å; V251-Y254 PolarHBondContact O-N 3.06Å; A252-Y254 VanDerWaalsContact C-N 3.33Å; A252-Y254 PolarHBondContact O-N 3.19Å; Y254-Y256 PolarHBondContact O-N 3.42Å; Y254-Q257 WeakPolarHBondContact O-CB 3.44Å; Y254-Q257 PolarHBondContact O-N 2.89Å
255L91.2Very high90.1Very high55 Ų5538 Ų3829%0.28820%0.196SC..Hα-helixtrans-57.3-39.8178.9-77.4171.5000111.1L26 L29 V251 A252 Q257 L258 L261L26-L255 HydrophobicContact CD2-CD2 4.36Å; L29-L255 HydrophobicContact CD2-CD2 3.56Å; L29-L255 HydrophobicContact CD2-CG 4.15Å; V251-L255 HydrophobicContact CG1-CD1 3.88Å; V251-L255 HydrophobicContact CG1-CG 4.27Å; V251-L255 WeakPolarHBondContact O-CB 3.33Å; V251-L255 VanDerWaalsContact O-CG 3.29Å; V251-L255 WeakPolarHBondContact O-CG 3.3Å; V251-L255 PolarHBondContact O-N 3.44Å; A252-L255 PolarHBondContact O-N 2.98Å; L255-Q257 PolarHBondContact O-N 3.33Å; L255-L258 HydrophobicContact CD2-CD1 3.8Å; L255-L258 VanDerWaalsContact O-CB 3.25Å; L255-L258 WeakPolarHBondContact O-CB 3.18Å; L255-L258 WeakPolarHBondContact O-CG 3.16Å; L255-L258 PolarHBondContact O-N 3.08Å; L255-L261 HydrophobicContact CB-CD1 4Å; L255-L261 WeakPolarHBondContact O-CD1 3.33Å
256Y90.9Very high89.6Confident2 Ų238.7 Ų38.71%0.00821%0.206CC..THydrogen-bonded Turntrans-64.3-17.4176.5-168.5-103.8000114.1A252 Y254 L258 Q262 I265 P267 F277 A279A252-Y256 PolarHBondContact O-N 3.47Å; Y254-Y256 PolarHBondContact O-N 3.42Å; Y256-L258 PolarHBondContact O-N 3.27Å; Y256-Q262 HydrophobicContact CE1-CG 4.46Å; Y256-Q262 WeakPolarHBondContact O-CG 3.15Å; Y256-Q262 PolarHBondContact O-NE2 3.22Å; Y256-I265 HydrophobicContact CE2-CB 4.26Å; Y256-I265 HydrophobicContact CE2-CG2 4.4Å; Y256-I265 WeakPolarHBondContact CE2-O 3.32Å; Y256-I265 PolarHBondContact OH-O 3.22Å; Y256-P267 VanDerWaalsContact OH-CA 3.31Å; Y256-P267 WeakPolarHBondContact OH-CA 3.4Å; Y256-F277 HydrophobicContact CD1-CB 3.64Å; Y256-F277 HydrophobicContact CD1-CG 4.31Å; Y256-F277 HydrophobicContact CD2-CB 3.7Å; Y256-F277 HydrophobicContact CD2-CD1 4.42Å; Y256-F277 AromaticContact CD2-CD2 3.88Å; Y256-F277 HydrophobicContact CD2-CD2 3.88Å; Y256-F277 AromaticContact CD2-CG 3.78Å; Y256-F277 HydrophobicContact CD2-CG 3.78Å; Y256-F277 HydrophobicContact CE1-CB 3.65Å; Y256-F277 HydrophobicContact CE2-CB 3.73Å; Y256-F277 HydrophobicContact CE2-CD2 4.2Å; Y256-F277 HydrophobicContact CE2-CG 4.2Å; Y256-F277 HydrophobicContact CG-CB 3.66Å; Y256-F277 HydrophobicContact CG-CD1 4.14Å; Y256-F277 HydrophobicContact CG-CD2 4.4Å; Y256-F277 AromaticContact CG-CG 3.84Å; Y256-F277 HydrophobicContact CG-CG 3.84Å; Y256-A279 HydrophobicContact CE1-CB 4.39Å
257Q89.5Confident89Confident16 Ų1640.8 Ų40.88%0.07522%0.22CC..THydrogen-bonded Turntrans-75.9-10.6172.2-53.9-45.7-6200113P24 L253 Y254 L255 K278 Y280P24-Q257 HydrophobicContact CB-CB 4.48Å; L253-Q257 WeakPolarHBondContact O-CG 3.48Å; L253-Q257 PolarHBondContact O-NE2 3.26Å; Y254-Q257 WeakPolarHBondContact O-CB 3.44Å; Y254-Q257 PolarHBondContact O-N 2.89Å; L255-Q257 PolarHBondContact O-N 3.33Å; Q257-K278 PolarHBondContact NE2-O 3.05Å; Q257-Y280 HydrophobicContact CG-CD2 4.5Å; Q257-Y280 VanDerWaalsContact NE2-CD2 3.32Å
258L85.3Confident88.5Confident8 Ų847.1 Ų47.14%0.04225%0.247CC..SBendtrans-77.2128.6175.3-56.1170.4000109.5L26 L99 L255 Y256 P260 L261 Q262L26-L258 HydrophobicContact CD2-CD1 4.04Å; L99-L258 HydrophobicContact CD1-CB 4.18Å; L99-L258 HydrophobicContact CD1-CD1 3.83Å; L99-L258 HydrophobicContact CD1-CD2 4.24Å; L99-L258 HydrophobicContact CD1-CG 4.31Å; L255-L258 HydrophobicContact CD2-CD1 3.8Å; L255-L258 VanDerWaalsContact O-CB 3.25Å; L255-L258 WeakPolarHBondContact O-CB 3.18Å; L255-L258 WeakPolarHBondContact O-CG 3.16Å; L255-L258 PolarHBondContact O-N 3.08Å; Y256-L258 PolarHBondContact O-N 3.27Å; L258-P260 VanDerWaalsContact C-N 3.32Å; L258-P260 WeakPolarHBondContact O-CD 3.36Å; L258-P260 VanDerWaalsContact O-N 3.15Å; L258-L261 HydrophobicContact CB-CD1 4.45Å; L258-L261 PolarHBondContact O-N 3.49Å; L258-L261 VanDerWaalsContact O-N 3.07Å; L258-Q262 PolarHBondContact O-N 2.84Å
259W80.5Confident88Confident48 Ų4844.7 Ų44.718%0.18224%0.237CC..Hα-helixtrans-52.8-34.6-176.977.8-96.4000115.6L95 L261 Q262 T263 A283 C285L95-W259 HydrophobicContact CB-CZ2 4.3Å; L95-W259 HydrophobicContact CD1-CH2 3.48Å; L95-W259 VanDerWaalsContact CD1-CH2 3.48Å; L95-W259 HydrophobicContact CD1-CZ2 3.07Å; L95-W259 HydrophobicContact CD1-CZ3 4.45Å; L95-W259 HydrophobicContact CG-CZ2 4.23Å; W259-L261 VanDerWaalsContact C-N 3.27Å; W259-L261 PolarHBondContact O-N 2.91Å; W259-Q262 PolarHBondContact O-N 3.46Å; W259-T263 PolarHBondContact O-N 3.33Å; W259-T263 PolarHBondContact O-OG1 2.89Å; W259-A283 HydrophobicContact CB-CB 3.69Å; W259-A283 VanDerWaalsContact CB-O 3.24Å; W259-A283 WeakPolarHBondContact CB-O 3.37Å; W259-C285 HydrophobicContact CE3-CB 4.27Å; W259-C285 HydrophobicContact CH2-CB 4.35Å; W259-C285 HydrophobicContact CZ3-CB 4.15Å
260P80.9Confident87.6Confident27 Ų2749 Ų4918%0.17526%0.256CS..Hα-helixtrans-65.3-34.4-179.7-21.736.2000111.9L95 L99 L258 T263 Q264L95-P260 HydrophobicContact CD1-CB 4.43Å; L95-P260 HydrophobicContact CD1-CG 3.81Å; L99-P260 HydrophobicContact CD1-CG 4.16Å; L258-P260 VanDerWaalsContact C-N 3.32Å; L258-P260 WeakPolarHBondContact O-CD 3.36Å; L258-P260 VanDerWaalsContact O-N 3.15Å; P260-T263 PolarHBondContact O-N 2.56Å; P260-Q264 WeakPolarHBondContact O-CG 3.37Å; P260-Q264 PolarHBondContact O-N 2.82Å; P260-Q264 VanDerWaalsContact O-N 3.14Å
261L83.9Confident87.2Confident58 Ų5851.4 Ų51.430%0.30427%0.272SS..Hα-helixtrans-72.7-38.4177.8-82.7148.8000111.6L255 L258 W259 T263 Q264 I265L255-L261 HydrophobicContact CB-CD1 4Å; L255-L261 WeakPolarHBondContact O-CD1 3.33Å; L258-L261 HydrophobicContact CB-CD1 4.45Å; L258-L261 PolarHBondContact O-N 3.49Å; L258-L261 VanDerWaalsContact O-N 3.07Å; W259-L261 VanDerWaalsContact C-N 3.27Å; W259-L261 PolarHBondContact O-N 2.91Å; L261-T263 VanDerWaalsContact C-N 3.26Å; L261-T263 PolarHBondContact O-N 3.49Å; L261-Q264 PolarHBondContact O-N 2.96Å; L261-I265 PolarHBondContact O-N 3.32Å
262Q85.4Confident86.9Confident16 Ų1649.8 Ų49.88%0.07526%0.262CS..Hα-helixtrans-65.6-30.7173.5-62.9-173.50.600112.4Y256 L258 W259 I265 P266 I281Y256-Q262 HydrophobicContact CE1-CG 4.46Å; Y256-Q262 WeakPolarHBondContact O-CG 3.15Å; Y256-Q262 PolarHBondContact O-NE2 3.22Å; L258-Q262 PolarHBondContact O-N 2.84Å; W259-Q262 PolarHBondContact O-N 3.46Å; Q262-I265 CarbonylContact O-C 3.3Å; Q262-I265 VanDerWaalsContact O-C 3.3Å; Q262-P266 WeakPolarHBondContact O-CA 3.29Å; Q262-I281 PolarHBondContact NE2-O 3.05Å; Q262-I281 VanDerWaalsContact NE2-O 3.1Å
263T82.7Confident86.6Confident94 Ų9450.1 Ų50.158%0.57726%0.26SS*.Hα-helixtrans-72.8-40.9177.2-53.50000111.6W259 P260 L261W259-T263 PolarHBondContact O-N 3.33Å; W259-T263 PolarHBondContact O-OG1 2.89Å; P260-T263 PolarHBondContact O-N 2.56Å; L261-T263 VanDerWaalsContact C-N 3.26Å; L261-T263 PolarHBondContact O-N 3.49Å
264Q85.9Confident86.4Confident154 Ų15451.9 Ų51.972%0.7227%0.269SS*.Hα-helixtrans-73.1-36.8177-70.6179.96.900112.6P260 L261P260-Q264 WeakPolarHBondContact O-CG 3.37Å; P260-Q264 PolarHBondContact O-N 2.82Å; P260-Q264 VanDerWaalsContact O-N 3.14Å; L261-Q264 PolarHBondContact O-N 2.96Å
265I88.7Confident86.3Confident47 Ų4751.2 Ų51.224%0.24127%0.269CS..SBendtrans-126.587.1-178.8-52.6175.2000108.3Y256 L261 Q262 S269 A272Y256-I265 HydrophobicContact CE2-CB 4.26Å; Y256-I265 HydrophobicContact CE2-CG2 4.4Å; Y256-I265 WeakPolarHBondContact CE2-O 3.32Å; Y256-I265 PolarHBondContact OH-O 3.22Å; L261-I265 PolarHBondContact O-N 3.32Å; Q262-I265 CarbonylContact O-C 3.3Å; Q262-I265 VanDerWaalsContact O-C 3.3Å; I265-S269 WeakPolarHBondContact CG2-OG 3.5Å; I265-A272 HydrophobicContact CG2-CB 4.05Å
266P86.4Confident86.1Confident64 Ų6448.6 Ų48.642%0.41626%0.255SS..  trans-56.6145.2177.8-25.634.4000111.6Q262 E268 S269 A272Q262-P266 WeakPolarHBondContact O-CA 3.29Å; P266-E268 PolarHBondContact O-N 2.91Å; P266-E268 VanDerWaalsContact O-N 3.13Å; P266-S269 VanDerWaalsContact O-CB 3.24Å; P266-S269 WeakPolarHBondContact O-CB 3.47Å; P266-S269 PolarHBondContact O-N 3.39Å; P266-S269 PolarHBondContact O-OG 3.13Å; P266-A272 WeakPolarHBondContact O-CB 3.19Å
267P83.4Confident86Confident44 Ų4450.1 Ų50.129%0.28626%0.262SS..THydrogen-bonded Turntrans-62-22.6-177.323.8-34000113.8Y256 S269 A279Y256-P267 VanDerWaalsContact OH-CA 3.31Å; Y256-P267 WeakPolarHBondContact OH-CA 3.4Å; P267-S269 VanDerWaalsContact C-N 3.35Å; P267-A279 HydrophobicContact CB-CB 4.27Å; P267-A279 HydrophobicContact CG-CB 4.46Å
268E82.6Confident85.9Confident153 Ų15350.3 Ų50.372%0.71526%0.263SS*.THydrogen-bonded Turntrans-82.3-12.6177.2-55.8-56.4156.300113.4P266 R273P266-E268 PolarHBondContact O-N 2.91Å; P266-E268 VanDerWaalsContact O-N 3.13Å; E268-R273 PolarHBondContact O-NE 3.32Å
269S86.6Confident85.9Confident31 Ų3150.4 Ų50.422%0.21726%0.264CS..SBendtrans-63.3148.1-179.568.50000111.5I265 P266 P267 T271 A272 R273I265-S269 WeakPolarHBondContact CG2-OG 3.5Å; P266-S269 VanDerWaalsContact O-CB 3.24Å; P266-S269 WeakPolarHBondContact O-CB 3.47Å; P266-S269 PolarHBondContact O-N 3.39Å; P266-S269 PolarHBondContact O-OG 3.13Å; P267-S269 VanDerWaalsContact C-N 3.35Å; S269-T271 PolarHBondContact O-N 3.21Å; S269-A272 PolarHBondContact O-N 3.39Å; S269-A272 VanDerWaalsContact OG-CB 3.32Å; S269-A272 WeakPolarHBondContact OG-CB 3.16Å; S269-A272 PolarHBondContact OG-N 3.41Å; S269-R273 PolarHBondContact O-N 2.85Å; S269-R273 VanDerWaalsContact O-N 3.1Å
270F86.4Confident86.2Confident91 Ų9149.2 Ų49.240%0.39926%0.26SS..Hα-helixtrans-50.2-46.8173.2169-108.9000111.9A272 R273 L274 L470 E474F270-A272 PolarHBondContact O-N 2.71Å; F270-R273 PolarHBondContact O-N 2.96Å; F270-L274 HydrophobicContact CE1-CD2 3.91Å; F270-L274 HydrophobicContact CE2-CB 4.5Å; F270-L274 HydrophobicContact CE2-CD2 4.36Å; F270-L274 HydrophobicContact CZ-CD2 3.66Å; F270-L274 WeakPolarHBondContact O-CB 3.35Å; F270-L274 PolarHBondContact O-N 2.85Å; F270-L470 HydrophobicContact CD2-CD2 4.12Å; F270-L470 HydrophobicContact CE2-CD2 3.42Å; F270-L470 VanDerWaalsContact CE2-CD2 3.42Å; F270-L470 HydrophobicContact CZ-CD2 4.33Å; F270-E474 HydrophobicContact CD2-CG 4.2Å; F270-E474 WeakPolarHBondContact CD2-OE1 3.31Å; F270-E474 WeakPolarHBondContact CD2-OE2 3.41Å; F270-E474 HydrophobicContact CE2-CG 4.22Å
271T88Confident86.3Confident76 Ų7649 Ų4947%0.46626%0.257SS..Hα-helixtrans-61.2-44.5-179.1-49.20000111.7S269 V275S269-T271 PolarHBondContact O-N 3.21Å; T271-V275 HydrophobicContact CG2-CG2 4.24Å; T271-V275 VanDerWaalsContact O-CB 3.24Å; T271-V275 WeakPolarHBondContact O-CB 3.29Å; T271-V275 WeakPolarHBondContact O-CG2 3.43Å; T271-V275 PolarHBondContact O-N 2.96Å
272A88.1Confident85.9Confident0 Ų049.9 Ų49.90%026%0.262CS..Hα-helixtrans-61.5-46.2177.400000111.6I265 P266 S269 F270 G276 F277I265-A272 HydrophobicContact CG2-CB 4.05Å; P266-A272 WeakPolarHBondContact O-CB 3.19Å; S269-A272 PolarHBondContact O-N 3.39Å; S269-A272 VanDerWaalsContact OG-CB 3.32Å; S269-A272 WeakPolarHBondContact OG-CB 3.16Å; S269-A272 PolarHBondContact OG-N 3.41Å; F270-A272 PolarHBondContact O-N 2.71Å; A272-G276 CarbonylContact O-C 3.56Å; A272-G276 WeakPolarHBondContact O-CA 3.42Å; A272-G276 PolarHBondContact O-N 2.85Å; A272-F277 HydrophobicContact CB-CB 4.33Å; A272-F277 PolarHBondContact O-N 2.75Å
273R87.1Confident85.1Confident25 Ų2550.4 Ų50.49%0.09427%0.269CS..Hα-helixtrans-67.3-45.6-178.8-66.2-174.4-64.7123.8-0.1113E268 S269 F270 G276 E469 T471 E474E268-R273 PolarHBondContact O-NE 3.32Å; S269-R273 PolarHBondContact O-N 2.85Å; S269-R273 VanDerWaalsContact O-N 3.1Å; F270-R273 PolarHBondContact O-N 2.96Å; R273-G276 PolarHBondContact O-N 3.37Å; R273-E469 WeakPolarHBondContact CB-O 3.35Å; R273-E469 PolarHBondContact NH1-O 3.08Å; R273-T471 VanDerWaalsContact NH1-N 3.11Å; R273-T471 PolarHBondContact NH1-OG1 2.77Å; R273-T471 PolarHBondContact NH2-OG1 2.78Å; R273-E474 IonicContact CZ-OE2 3.27Å; R273-E474 IonicContact NH1-OE2 2.98Å; R273-E474 IonicContact NH2-OE1 2.86Å; R273-E474 PolarHBondContact NH2-OE1 3.13Å; R273-E474 IonicContact NH2-OE2 3.73Å; R273-E474 PolarHBondContact NH2-OE2 2.78Å
274L88Confident84.5Confident44 Ų4448.3 Ų48.323%0.2326%0.257CS..Hα-helixtrans-64.8-45.3179.2177.261.2000111.7L208 F270 G276 L468 L470L208-L274 WeakPolarHBondContact CB-O 3.46Å; L208-L274 PolarHBondContact N-O 2.91Å; F270-L274 HydrophobicContact CE1-CD2 3.91Å; F270-L274 HydrophobicContact CE2-CB 4.5Å; F270-L274 HydrophobicContact CE2-CD2 4.36Å; F270-L274 HydrophobicContact CZ-CD2 3.66Å; F270-L274 WeakPolarHBondContact O-CB 3.35Å; F270-L274 PolarHBondContact O-N 2.85Å; L274-G276 VanDerWaalsContact C-N 3.26Å; L274-G276 PolarHBondContact O-N 3.12Å; L274-L468 HydrophobicContact CD1-CD1 4.46Å; L274-L470 HydrophobicContact CD1-CD2 4.29Å
275V90.2Very high83.7Confident22 Ų2243.2 Ų43.213%0.13324%0.237CC..Hα-helixtrans-69.1-30.1178.5177.70000110.8C207 L208 W209 T271 F277C207-V275 WeakPolarHBondContact CB-O 3.42Å; L208-V275 HydrophobicContact CD2-CG2 4.42Å; W209-V275 VanDerWaalsContact CD1-CG1 3.43Å; T271-V275 HydrophobicContact CG2-CG2 4.24Å; T271-V275 VanDerWaalsContact O-CB 3.24Å; T271-V275 WeakPolarHBondContact O-CB 3.29Å; T271-V275 WeakPolarHBondContact O-CG2 3.43Å; T271-V275 PolarHBondContact O-N 2.96Å; V275-F277 HydrophobicContact CB-CD2 4.13Å; V275-F277 HydrophobicContact CB-CE2 4.29Å; V275-F277 HydrophobicContact CB-CG 4.43Å; V275-F277 HydrophobicContact CG1-CD1 4.05Å; V275-F277 HydrophobicContact CG1-CD2 3.78Å; V275-F277 HydrophobicContact CG1-CE1 3.84Å; V275-F277 HydrophobicContact CG1-CE2 3.57Å; V275-F277 HydrophobicContact CG1-CG 4.01Å; V275-F277 HydrophobicContact CG1-CZ 3.6Å
276G86.7Confident82.4Confident1 Ų146.9 Ų46.91%0.0126%0.262CS..THydrogen-bonded Turntrans90.626.1-176.700000113A272 R273 L274 K278A272-G276 CarbonylContact O-C 3.56Å; A272-G276 WeakPolarHBondContact O-CA 3.42Å; A272-G276 PolarHBondContact O-N 2.85Å; R273-G276 PolarHBondContact O-N 3.37Å; L274-G276 VanDerWaalsContact C-N 3.26Å; L274-G276 PolarHBondContact O-N 3.12Å; G276-K278 PolarHBondContact O-N 3.4Å
277F89.3Confident81.1Confident34 Ų3447.7 Ų47.715%0.14926%0.263CS..  trans-78.3105.8172.5-72.5-28.8000110W209 A252 Y256 A272 V275W209-F277 AromaticContact NE1-CE1 3.71Å; W209-F277 AromaticContact NE1-CZ 3.92Å; A252-F277 HydrophobicContact CB-CE1 4.14Å; A252-F277 HydrophobicContact CB-CZ 4.45Å; Y256-F277 HydrophobicContact CD1-CB 3.64Å; Y256-F277 HydrophobicContact CD1-CG 4.31Å; Y256-F277 HydrophobicContact CD2-CB 3.7Å; Y256-F277 HydrophobicContact CD2-CD1 4.42Å; Y256-F277 AromaticContact CD2-CD2 3.88Å; Y256-F277 HydrophobicContact CD2-CD2 3.88Å; Y256-F277 AromaticContact CD2-CG 3.78Å; Y256-F277 HydrophobicContact CD2-CG 3.78Å; Y256-F277 HydrophobicContact CE1-CB 3.65Å; Y256-F277 HydrophobicContact CE2-CB 3.73Å; Y256-F277 HydrophobicContact CE2-CD2 4.2Å; Y256-F277 HydrophobicContact CE2-CG 4.2Å; Y256-F277 HydrophobicContact CG-CB 3.66Å; Y256-F277 HydrophobicContact CG-CD1 4.14Å; Y256-F277 HydrophobicContact CG-CD2 4.4Å; Y256-F277 AromaticContact CG-CG 3.84Å; Y256-F277 HydrophobicContact CG-CG 3.84Å; A272-F277 HydrophobicContact CB-CB 4.33Å; A272-F277 PolarHBondContact O-N 2.75Å; V275-F277 HydrophobicContact CB-CD2 4.13Å; V275-F277 HydrophobicContact CB-CE2 4.29Å; V275-F277 HydrophobicContact CB-CG 4.43Å; V275-F277 HydrophobicContact CG1-CD1 4.05Å; V275-F277 HydrophobicContact CG1-CD2 3.78Å; V275-F277 HydrophobicContact CG1-CE1 3.84Å; V275-F277 HydrophobicContact CG1-CE2 3.57Å; V275-F277 HydrophobicContact CG1-CG 4.01Å; V275-F277 HydrophobicContact CG1-CZ 3.6Å
278K87.9Confident79.6Confident20 Ų2051.3 Ų51.39%0.08728%0.278CS..  trans-108.8133.2176.4-66.4-60.3-166.7176.30110.5F205 Q257 G276 Y280 L297 A301 E469F205-K278 HydrophobicContact CZ-CG 4.28Å; Q257-K278 PolarHBondContact NE2-O 3.05Å; G276-K278 PolarHBondContact O-N 3.4Å; K278-Y280 HydrophobicContact CB-CE1 4.28Å; K278-Y280 PolarHBondContact O-N 2.95Å; K278-L297 HydrophobicContact CB-CD1 4.09Å; K278-L297 HydrophobicContact CB-CD2 4.07Å; K278-L297 HydrophobicContact CD-CD1 3.63Å; K278-L297 HydrophobicContact CG-CD1 3.87Å; K278-A301 HydrophobicContact CG-CB 4.39Å; K278-E469 WeakPolarHBondContact CE-OE2 3.37Å; K278-E469 IonicContact NZ-OE1 3.9Å; K278-E469 PolarHBondContact NZ-OE1 3.11Å; K278-E469 IonicContact NZ-OE2 2.72Å; K278-E469 PolarHBondContact NZ-OE2 3.18Å
279A86.3Confident78.3Confident9 Ų945.5 Ų45.57%0.07425%0.253CS..  trans-8093.7172.900000108.8Y256 P267 I281 T294Y256-A279 HydrophobicContact CE1-CB 4.39Å; P267-A279 HydrophobicContact CB-CB 4.27Å; P267-A279 HydrophobicContact CG-CB 4.46Å; A279-I281 VanDerWaalsContact C-N 3.33Å; A279-T294 PolarHBondContact O-OG1 3.36Å
280Y86.4Confident77Confident23 Ų2345.1 Ų45.19%0.0925%0.254CS..SBendtrans-70-38.2176-60.6-66.7000110.8Q257 K278 F293 T294 L297 A301 Y302 P305Q257-Y280 HydrophobicContact CG-CD2 4.5Å; Q257-Y280 VanDerWaalsContact NE2-CD2 3.32Å; K278-Y280 HydrophobicContact CB-CE1 4.28Å; K278-Y280 PolarHBondContact O-N 2.95Å; Y280-F293 WeakPolarHBondContact O-CA 3.45Å; Y280-T294 PolarHBondContact O-N 3.14Å; Y280-T294 VanDerWaalsContact O-N 3.15Å; Y280-L297 HydrophobicContact CD1-CD2 3.47Å; Y280-L297 VanDerWaalsContact CD1-CD2 3.47Å; Y280-L297 HydrophobicContact CE1-CD2 3.52Å; Y280-A301 WeakPolarHBondContact CE1-O 3.38Å; Y280-A301 PolarHBondContact OH-O 3.48Å; Y280-Y302 AromaticContact CD1-CD1 3.71Å; Y280-Y302 HydrophobicContact CD1-CD1 3.71Å; Y280-Y302 AromaticContact CD1-CE1 3.73Å; Y280-Y302 HydrophobicContact CD1-CE1 3.73Å; Y280-Y302 HydrophobicContact CD1-CG 4.48Å; Y280-Y302 HydrophobicContact CE1-CD1 4.22Å; Y280-Y302 HydrophobicContact CG-CE1 4.49Å; Y280-P305 HydrophobicContact CE2-CG 4.2Å; Y280-P305 VanDerWaalsContact OH-CD 3.3Å; Y280-P305 WeakPolarHBondContact OH-CD 3.44Å
281I82.1Confident75.9Confident23 Ų2343.7 Ų43.712%0.11825%0.25CS..BIsolated β-bridgetrans-110.3121.3175.3-57.2161.6000106.4P24 Q262 A279 A283 L291 F293P24-I281 HydrophobicContact CG-CD1 4.1Å; Q262-I281 PolarHBondContact NE2-O 3.05Å; Q262-I281 VanDerWaalsContact NE2-O 3.1Å; A279-I281 VanDerWaalsContact C-N 3.33Å; I281-A283 PolarHBondContact O-N 3.44Å; I281-A283 VanDerWaalsContact O-N 3.16Å; I281-L291 HydrophobicContact CB-CD1 4.48Å; I281-L291 HydrophobicContact CD1-CD1 3.46Å; I281-L291 VanDerWaalsContact CD1-CD1 3.46Å; I281-L291 HydrophobicContact CG1-CD1 3.7Å; I281-L291 HydrophobicContact CG2-CD1 3.93Å; I281-F293 HydrophobicContact CG1-CD1 4.3Å; I281-F293 HydrophobicContact CG1-CE1 4.16Å
282N76.8Confident75.1Confident76 Ų7645.3 Ų45.341%0.40625%0.252SS..  trans-77.1100.8174.1-168.621.8000108.2H292N282-H292 PolarHBondContact N-O 3.17Å
283A67.4Low74.5Confident27 Ų2750.9 Ų50.922%0.22328%0.276CS..  trans-104.586.7-177.900000108.5W259 I281W259-A283 HydrophobicContact CB-CB 3.69Å; W259-A283 VanDerWaalsContact CB-O 3.24Å; W259-A283 WeakPolarHBondContact CB-O 3.37Å; I281-A283 PolarHBondContact O-N 3.44Å; I281-A283 VanDerWaalsContact O-N 3.16Å
284T70.6Confident74Confident51 Ų5151.5 Ų51.531%0.31328%0.283SS..  trans-90.2152.1168780000109.1T286 D287T284-T286 PolarHBondContact O-N 3.42Å; T284-T286 PolarHBondContact OG1-OG1 2.91Å; T284-D287 VanDerWaalsContact OG1-CB 3.25Å; T284-D287 WeakPolarHBondContact OG1-CB 3.5Å; T284-D287 PolarHBondContact OG1-N 3.37Å; T284-D287 VanDerWaalsContact OG1-N 3.12Å; T284-D287 PolarHBondContact OG1-OD2 3.44Å
285C68.4Low73.3Confident47 Ų4758.5 Ų58.532%0.31832%0.315SS..SBendtrans-74.8-20.9178.9-170.40000112.7C90 W259C90-C285 WeakPolarHBondContact CA-SG 3.45Å; C90-C285 HydrophobicContact CB-CB 3.98Å; C90-C285 WeakPolarHBondContact CB-SG 3.48Å; C90-C285 WeakPolarHBondContact SG-CB 3.14Å; C90-C285 PolarHBondContact SG-O 3.26Å; C90-C285 CovalentContact SG-SG 2Å; C90-C285 PolarHBondContact SG-SG 3.37Å; W259-C285 HydrophobicContact CE3-CB 4.27Å; W259-C285 HydrophobicContact CH2-CB 4.35Å; W259-C285 HydrophobicContact CZ3-CB 4.15Å
286T62.9Low72.6Confident123 Ų12367.2 Ų67.276%0.75535%0.351SS*.SBendtrans-86.3-25.8-178.348.50000113.3T284T284-T286 PolarHBondContact O-N 3.42Å; T284-T286 PolarHBondContact OG1-OG1 2.91Å
287D58.1Low72.3Confident82 Ų8268.6 Ų68.644%0.43936%0.358SS..SBendtrans-77.7139.4-178.9-65.5-31.6000110.6T284T284-D287 VanDerWaalsContact OG1-CB 3.25Å; T284-D287 WeakPolarHBondContact OG1-CB 3.5Å; T284-D287 PolarHBondContact OG1-N 3.37Å; T284-D287 VanDerWaalsContact OG1-N 3.12Å; T284-D287 PolarHBondContact OG1-OD2 3.44Å
288M52.7Low72Confident120 Ų12068.6 Ų68.659%0.59136%0.362SS*.  trans-50.1145.8171.7-171.8178.9-77.300109.2G290M288-G290 PolarHBondContact O-N 2.9Å
289P54.5Low71.9Confident30 Ų3073.9 Ų73.920%0.19538%0.382CS..SBendtrans-63.260.9-17920.5-31000115.4Q103 R115 F116Q103-P289 VanDerWaalsContact NE2-CB 3.28Å; R115-P289 PolarHBondContact NH2-O 2.97Å; F116-P289 HydrophobicContact CE2-CB 4.48Å; F116-P289 HydrophobicContact CZ-CB 4.24Å
290G59.6Low71.9Confident23 Ų2374 Ų7424%0.23738%0.382CS..  trans-93.1153.3169.300000110.8M288 H292M288-G290 PolarHBondContact O-N 2.9Å; G290-H292 VanDerWaalsContact C-N 3.33Å; G290-H292 PolarHBondContact O-N 3.48Å
291L63.4Low71.9Confident62 Ų6272.9 Ų72.933%0.32538%0.377SS..  trans-87.379.8170.4-169.571000107.7I281 F293I281-L291 HydrophobicContact CB-CD1 4.48Å; I281-L291 HydrophobicContact CD1-CD1 3.46Å; I281-L291 VanDerWaalsContact CD1-CD1 3.46Å; I281-L291 HydrophobicContact CG1-CD1 3.7Å; I281-L291 HydrophobicContact CG2-CD1 3.93Å; L291-F293 HydrophobicContact CD1-CZ 4.38Å; L291-F293 HydrophobicContact CD2-CD2 4.49Å; L291-F293 HydrophobicContact CD2-CE1 4.3Å; L291-F293 HydrophobicContact CD2-CE2 3.44Å; L291-F293 VanDerWaalsContact CD2-CE2 3.44Å; L291-F293 HydrophobicContact CD2-CZ 3.33Å; L291-F293 HydrophobicContact CG-CD2 4.31Å; L291-F293 HydrophobicContact CG-CE1 4.29Å; L291-F293 HydrophobicContact CG-CE2 3.68Å; L291-F293 HydrophobicContact CG-CZ 3.68Å; L291-F293 PolarHBondContact O-N 2.84Å
292H70.2Confident72.3Confident110 Ų11075.4 Ų75.451%0.50939%0.386SS..  trans-86.6100.5178.9-67.8-74.2000109.7N282 G290N282-H292 PolarHBondContact N-O 3.17Å; G290-H292 VanDerWaalsContact C-N 3.33Å; G290-H292 PolarHBondContact O-N 3.48Å
293F76.4Confident73Confident116 Ų11672.4 Ų72.451%0.50937%0.372SS..BIsolated β-bridgetrans-73134.1173.8-67-75.6000110.6Y280 I281 L291 E295Y280-F293 WeakPolarHBondContact O-CA 3.45Å; I281-F293 HydrophobicContact CG1-CD1 4.3Å; I281-F293 HydrophobicContact CG1-CE1 4.16Å; L291-F293 HydrophobicContact CD1-CZ 4.38Å; L291-F293 HydrophobicContact CD2-CD2 4.49Å; L291-F293 HydrophobicContact CD2-CE1 4.3Å; L291-F293 HydrophobicContact CD2-CE2 3.44Å; L291-F293 VanDerWaalsContact CD2-CE2 3.44Å; L291-F293 HydrophobicContact CD2-CZ 3.33Å; L291-F293 HydrophobicContact CG-CD2 4.31Å; L291-F293 HydrophobicContact CG-CE1 4.29Å; L291-F293 HydrophobicContact CG-CE2 3.68Å; L291-F293 HydrophobicContact CG-CZ 3.68Å; L291-F293 PolarHBondContact O-N 2.84Å; F293-E295 PolarHBondContact O-N 3.35Å
294T76.6Confident74.2Confident38 Ų3871.1 Ų71.123%0.23336%0.361CS..  trans-74.4106.7-180-58.80000111.5A279 Y280 K296 L297 Y302A279-T294 PolarHBondContact O-OG1 3.36Å; Y280-T294 PolarHBondContact O-N 3.14Å; Y280-T294 VanDerWaalsContact O-N 3.15Å; T294-K296 HydrophobicContact CG2-CB 4.11Å; T294-K296 PolarHBondContact O-N 2.94Å; T294-K296 VanDerWaalsContact O-N 3.12Å; T294-L297 PolarHBondContact O-N 3.46Å; T294-Y302 PolarHBondContact O-OH 3.27Å
295E72.3Confident75.3Confident192 Ų19270.2 Ų70.290%0.89736%0.356SS*.THydrogen-bonded Turntrans-64-18.3-179.9-64.2-175171.700114.7F293 L297F293-E295 PolarHBondContact O-N 3.35Å; E295-L297 PolarHBondContact O-N 2.98Å
296K76.4Confident76.5Confident204 Ų20473.6 Ų73.689%0.88737%0.37SS*.THydrogen-bonded Turntrans-75.8-0.3-175.9-63.4-175.7-179.5178.70114.4T294T294-K296 HydrophobicContact CG2-CB 4.11Å; T294-K296 PolarHBondContact O-N 2.94Å; T294-K296 VanDerWaalsContact O-N 3.12Å
297L80.2Confident78Confident30 Ų3070.9 Ų70.916%0.15735%0.348CS..SBendtrans-93.5142-171.2-164.468.1000112.5K278 Y280 T294 E295 A301 Y302K278-L297 HydrophobicContact CB-CD1 4.09Å; K278-L297 HydrophobicContact CB-CD2 4.07Å; K278-L297 HydrophobicContact CD-CD1 3.63Å; K278-L297 HydrophobicContact CG-CD1 3.87Å; Y280-L297 HydrophobicContact CD1-CD2 3.47Å; Y280-L297 VanDerWaalsContact CD1-CD2 3.47Å; Y280-L297 HydrophobicContact CE1-CD2 3.52Å; T294-L297 PolarHBondContact O-N 3.46Å; E295-L297 PolarHBondContact O-N 2.98Å; L297-A301 HydrophobicContact CD1-CB 3.81Å; L297-A301 HydrophobicContact CD2-CB 3.7Å; L297-A301 HydrophobicContact CG-CB 3.6Å; L297-Y302 HydrophobicContact CB-CD2 4.41Å; L297-Y302 HydrophobicContact CB-CE2 3.77Å; L297-Y302 HydrophobicContact CD2-CD2 4.27Å; L297-Y302 HydrophobicContact CD2-CE1 4.47Å; L297-Y302 HydrophobicContact CD2-CE2 4.07Å; L297-Y302 HydrophobicContact CG-CE2 4.3Å
298S82.7Confident79.8Confident34 Ų3467 Ų6724%0.23833%0.327CS..  trans-67148.9177.557.20000112.3S300 A301 Y302S298-S300 PolarHBondContact O-N 2.76Å; S298-S300 VanDerWaalsContact O-N 3.16Å; S298-S300 PolarHBondContact OG-OG 3.01Å; S298-A301 WeakPolarHBondContact O-CB 3.35Å; S298-A301 PolarHBondContact O-N 2.97Å; S298-Y302 PolarHBondContact O-N 3.41Å
299W85Confident81.9Confident132 Ų13263.6 Ų63.650%0.531%0.309SS..Hα-helixtrans-56.4-34.5178.272.9-96.7000112.3I204 A301 Y302 A303 V497 V498I204-W299 HydrophobicContact CD1-CH2 3.86Å; I204-W299 HydrophobicContact CD1-CZ3 3.68Å; W299-A301 VanDerWaalsContact C-N 3.31Å; W299-A301 PolarHBondContact O-N 3.23Å; W299-Y302 PolarHBondContact O-N 2.62Å; W299-A303 HydrophobicContact CE3-CB 4.19Å; W299-A303 HydrophobicContact CZ3-CB 4.21Å; W299-A303 WeakPolarHBondContact O-CB 3.39Å; W299-A303 PolarHBondContact O-N 3.23Å; W299-V497 HydrophobicContact CH2-CB 4.47Å; W299-V497 HydrophobicContact CH2-CG1 4.18Å; W299-V497 HydrophobicContact CZ2-CB 4.25Å; W299-V497 HydrophobicContact CZ2-CG1 4.45Å; W299-V498 HydrophobicContact CZ2-CG2 4.46Å
300S86.4Confident83.8Confident11 Ų1163.8 Ų63.88%0.07731%0.313CS..Hα-helixtrans-65.1-35.3179.553.80000112.3I204 S298 A303 Y304I204-S300 WeakPolarHBondContact O-CB 3.4Å; S298-S300 PolarHBondContact O-N 2.76Å; S298-S300 VanDerWaalsContact O-N 3.16Å; S298-S300 PolarHBondContact OG-OG 3.01Å; S300-A303 PolarHBondContact O-N 3.12Å; S300-Y304 PolarHBondContact O-N 3.22Å
301A88.1Confident85.5Confident0 Ų062.8 Ų62.80%030%0.302CS..Hα-helixtrans-69.9-36.3176.800000111.5F205 K278 Y280 L297 S298 W299 P305F205-A301 HydrophobicContact CD2-CB 4.07Å; F205-A301 HydrophobicContact CE2-CB 3.86Å; K278-A301 HydrophobicContact CG-CB 4.39Å; Y280-A301 WeakPolarHBondContact CE1-O 3.38Å; Y280-A301 PolarHBondContact OH-O 3.48Å; L297-A301 HydrophobicContact CD1-CB 3.81Å; L297-A301 HydrophobicContact CD2-CB 3.7Å; L297-A301 HydrophobicContact CG-CB 3.6Å; S298-A301 WeakPolarHBondContact O-CB 3.35Å; S298-A301 PolarHBondContact O-N 2.97Å; W299-A301 VanDerWaalsContact C-N 3.31Å; W299-A301 PolarHBondContact O-N 3.23Å; A301-P305 VanDerWaalsContact O-CD 3.28Å; A301-P305 WeakPolarHBondContact O-CD 3.48Å
302Y89.3Confident87Confident75 Ų7560 Ų6029%0.29429%0.287SS..Hα-helixtrans-68.6-35.6171.6-78.6-70.4000112.9Y280 T294 L297 S298 W299 Y304 P305Y280-Y302 AromaticContact CD1-CD1 3.71Å; Y280-Y302 HydrophobicContact CD1-CD1 3.71Å; Y280-Y302 AromaticContact CD1-CE1 3.73Å; Y280-Y302 HydrophobicContact CD1-CE1 3.73Å; Y280-Y302 HydrophobicContact CD1-CG 4.48Å; Y280-Y302 HydrophobicContact CE1-CD1 4.22Å; Y280-Y302 HydrophobicContact CG-CE1 4.49Å; T294-Y302 PolarHBondContact O-OH 3.27Å; L297-Y302 HydrophobicContact CB-CD2 4.41Å; L297-Y302 HydrophobicContact CB-CE2 3.77Å; L297-Y302 HydrophobicContact CD2-CD2 4.27Å; L297-Y302 HydrophobicContact CD2-CE1 4.47Å; L297-Y302 HydrophobicContact CD2-CE2 4.07Å; L297-Y302 HydrophobicContact CG-CE2 4.3Å; S298-Y302 PolarHBondContact O-N 3.41Å; W299-Y302 PolarHBondContact O-N 2.62Å; Y302-Y304 VanDerWaalsContact C-N 3.35Å; Y302-P305 WeakPolarHBondContact O-CD 3.31Å
303A91.4Very high88Confident14 Ų1457 Ų5712%0.11627%0.274CS..Hα-helixtrans-71.2-29.7179.400000112.9I204 W299 S300 I306 F307I204-A303 HydrophobicContact CD1-CB 4.03Å; I204-A303 HydrophobicContact CG1-CB 4.14Å; W299-A303 HydrophobicContact CE3-CB 4.19Å; W299-A303 HydrophobicContact CZ3-CB 4.21Å; W299-A303 WeakPolarHBondContact O-CB 3.39Å; W299-A303 PolarHBondContact O-N 3.23Å; S300-A303 PolarHBondContact O-N 3.12Å; A303-I306 WeakPolarHBondContact O-CB 3.15Å; A303-I306 PolarHBondContact O-N 2.97Å; A303-F307 HydrophobicContact CB-CD2 3.88Å; A303-F307 HydrophobicContact CB-CE2 3.78Å; A303-F307 VanDerWaalsContact O-CD2 3.22Å; A303-F307 WeakPolarHBondContact O-CD2 3.35Å; A303-F307 PolarHBondContact O-N 3.11Å
304Y92.7Very high88.7Confident0 Ų052.9 Ų52.90%026%0.26CS..Hα-helixtrans-51-57.6-177.8174.6-127.4000115I204 F205 W209 T210 N249 L253 S300 Y302 I306 F307 I308I204-Y304 HydrophobicContact CG2-CD2 3.75Å; I204-Y304 HydrophobicContact CG2-CG 4.5Å; F205-Y304 HydrophobicContact CB-CD2 4.05Å; F205-Y304 HydrophobicContact CB-CG 3.92Å; F205-Y304 HydrophobicContact CD1-CD1 4.44Å; W209-Y304 WeakPolarHBondContact CB-OH 3.27Å; T210-Y304 HydrophobicContact CG2-CD2 4.21Å; T210-Y304 HydrophobicContact CG2-CE2 3.29Å; N249-Y304 PolarHBondContact ND2-OH 3.48Å; N249-Y304 PolarHBondContact OD1-OH 3.39Å; L253-Y304 HydrophobicContact CD1-CD1 4.09Å; L253-Y304 HydrophobicContact CD1-CE1 3.68Å; L253-Y304 HydrophobicContact CD2-CD1 4.5Å; L253-Y304 HydrophobicContact CD2-CE1 4.03Å; L253-Y304 HydrophobicContact CG-CE1 4.42Å; S300-Y304 PolarHBondContact O-N 3.22Å; Y302-Y304 VanDerWaalsContact C-N 3.35Å; Y304-I306 VanDerWaalsContact C-N 3.26Å; Y304-I306 PolarHBondContact O-N 3.48Å; Y304-F307 PolarHBondContact O-N 3.21Å; Y304-I308 HydrophobicContact CD1-CD1 4.24Å; Y304-I308 HydrophobicContact CD2-CD1 3.65Å; Y304-I308 HydrophobicContact CD2-CG1 4.05Å; Y304-I308 HydrophobicContact CE1-CD1 3.8Å; Y304-I308 HydrophobicContact CE2-CD1 3.12Å; Y304-I308 HydrophobicContact CE2-CG1 3.75Å; Y304-I308 HydrophobicContact CG-CD1 4.19Å; Y304-I308 WeakPolarHBondContact O-CG1 3.41Å; Y304-I308 PolarHBondContact O-N 2.87Å
305P93.4Very high89.4Confident32 Ų3251.3 Ų51.321%0.20825%0.25CC..Hα-helixtrans-63-33.117923.4-33.9000112.4L253 Y280 A301 Y302 F309L253-P305 HydrophobicContact CD1-CB 4.33Å; Y280-P305 HydrophobicContact CE2-CG 4.2Å; Y280-P305 VanDerWaalsContact OH-CD 3.3Å; Y280-P305 WeakPolarHBondContact OH-CD 3.44Å; A301-P305 VanDerWaalsContact O-CD 3.28Å; A301-P305 WeakPolarHBondContact O-CD 3.48Å; Y302-P305 WeakPolarHBondContact O-CD 3.31Å; P305-F309 WeakPolarHBondContact O-CB 3.4Å; P305-F309 PolarHBondContact O-N 2.93Å
306I94Very high90.2Very high118 Ų11842.2 Ų42.261%0.60521%0.208SC*.Hα-helixtrans-65.2-46.6177.5-58.1172.9000110.3A303 Y304 F309 A310A303-I306 WeakPolarHBondContact O-CB 3.15Å; A303-I306 PolarHBondContact O-N 2.97Å; Y304-I306 VanDerWaalsContact C-N 3.26Å; Y304-I306 PolarHBondContact O-N 3.48Å; I306-F309 PolarHBondContact O-N 3.4Å; I306-A310 WeakPolarHBondContact O-CB 3.32Å; I306-A310 PolarHBondContact O-N 3.38Å
307F95.4Very high90.5Very high65 Ų6538.8 Ų38.829%0.28519%0.19SC..Hα-helixtrans-66.6-40178.7-80.2-63.2000112.4L197 A200 V201 I204 A303 Y304 F309 A310 F311L197-F307 HydrophobicContact CD2-CD1 3.89Å; L197-F307 HydrophobicContact CD2-CE1 4.35Å; A200-F307 HydrophobicContact CB-CD1 3.96Å; A200-F307 HydrophobicContact CB-CE1 4.08Å; A200-F307 HydrophobicContact CB-CG 4.34Å; V201-F307 VanDerWaalsContact CG2-C 3.45Å; V201-F307 HydrophobicContact CG2-CB 3.82Å; V201-F307 WeakPolarHBondContact CG2-O 3.5Å; I204-F307 HydrophobicContact CB-CD2 4.43Å; I204-F307 HydrophobicContact CD1-CD2 4.12Å; I204-F307 HydrophobicContact CD1-CE2 3.89Å; I204-F307 HydrophobicContact CG1-CD2 3.88Å; I204-F307 HydrophobicContact CG1-CE2 4.19Å; A303-F307 HydrophobicContact CB-CD2 3.88Å; A303-F307 HydrophobicContact CB-CE2 3.78Å; A303-F307 VanDerWaalsContact O-CD2 3.22Å; A303-F307 WeakPolarHBondContact O-CD2 3.35Å; A303-F307 PolarHBondContact O-N 3.11Å; Y304-F307 PolarHBondContact O-N 3.21Å; F307-F309 VanDerWaalsContact C-N 3.34Å; F307-A310 PolarHBondContact O-N 2.82Å; F307-F311 WeakPolarHBondContact O-CB 3.31Å; F307-F311 PolarHBondContact O-N 2.77Å
308I95.8Very high90.6Very high0 Ų038.4 Ų38.40%019%0.187CC..Hα-helixtrans-62.7-44.9175-62.8164.1000110.3V201 N249 L250 L253 Y304 F311 Y312V201-I308 HydrophobicContact CG1-CG1 3.86Å; V201-I308 HydrophobicContact CG2-CG1 4.29Å; N249-I308 WeakPolarHBondContact ND2-CD1 3.22Å; L250-I308 HydrophobicContact CD1-CG2 4.07Å; L250-I308 HydrophobicContact CD2-CB 4.03Å; L250-I308 HydrophobicContact CD2-CG2 3.85Å; L250-I308 HydrophobicContact CG-CB 4.44Å; L250-I308 HydrophobicContact CG-CG2 3.7Å; L253-I308 HydrophobicContact CD1-CD1 3.99Å; Y304-I308 HydrophobicContact CD1-CD1 4.24Å; Y304-I308 HydrophobicContact CD2-CD1 3.65Å; Y304-I308 HydrophobicContact CD2-CG1 4.05Å; Y304-I308 HydrophobicContact CE1-CD1 3.8Å; Y304-I308 HydrophobicContact CE2-CD1 3.12Å; Y304-I308 HydrophobicContact CE2-CG1 3.75Å; Y304-I308 HydrophobicContact CG-CD1 4.19Å; Y304-I308 WeakPolarHBondContact O-CG1 3.41Å; Y304-I308 PolarHBondContact O-N 2.87Å; I308-F311 PolarHBondContact O-N 3.28Å; I308-Y312 VanDerWaalsContact O-CB 3.28Å; I308-Y312 WeakPolarHBondContact O-CB 3.22Å; I308-Y312 PolarHBondContact O-N 3.03Å
309F95Very high90.5Very high50 Ų5038.5 Ų38.522%0.21919%0.188CC..Hα-helixtrans-62.7-45.5178.3-179.3-105.3000111.6L17 L35 L250 P305 I306 F307 F311 Y312 M313L17-F309 HydrophobicContact CD1-CE1 4.05Å; L17-F309 HydrophobicContact CD1-CE2 4.25Å; L17-F309 HydrophobicContact CD1-CZ 3.78Å; L17-F309 HydrophobicContact CD2-CE1 4.08Å; L17-F309 HydrophobicContact CD2-CZ 4.23Å; L35-F309 HydrophobicContact CD2-CE2 3.63Å; L35-F309 HydrophobicContact CD2-CZ 3.83Å; L35-F309 HydrophobicContact CG-CE2 4.24Å; L250-F309 HydrophobicContact CD1-CB 4.47Å; L250-F309 HydrophobicContact CD1-CD2 4.3Å; L250-F309 HydrophobicContact CD2-CB 4.29Å; P305-F309 WeakPolarHBondContact O-CB 3.4Å; P305-F309 PolarHBondContact O-N 2.93Å; I306-F309 PolarHBondContact O-N 3.4Å; F307-F309 VanDerWaalsContact C-N 3.34Å; F309-F311 PolarHBondContact O-N 2.85Å; F309-Y312 PolarHBondContact O-N 3.25Å; F309-M313 HydrophobicContact CD1-CG 4.26Å; F309-M313 HydrophobicContact CD2-CG 4.3Å; F309-M313 HydrophobicContact CE1-CG 3.83Å; F309-M313 HydrophobicContact CE2-CG 3.87Å; F309-M313 HydrophobicContact CE2-SD 4.05Å; F309-M313 HydrophobicContact CG-CG 4.48Å; F309-M313 HydrophobicContact CZ-CG 3.61Å; F309-M313 HydrophobicContact CZ-SD 3.92Å; F309-M313 WeakPolarHBondContact O-CB 3.38Å; F309-M313 VanDerWaalsContact O-CG 3.27Å; F309-M313 WeakPolarHBondContact O-CG 3.21Å; F309-M313 PolarHBondContact O-N 3.31Å
310A94.9Very high89.9Confident33 Ų3334.4 Ų34.427%0.27317%0.174SC..Hα-helixtrans-63-41.1176.400000112.4L197 I306 F307 S314L197-A310 HydrophobicContact CD1-CB 4.37Å; L197-A310 HydrophobicContact CD2-CB 4Å; I306-A310 WeakPolarHBondContact O-CB 3.32Å; I306-A310 PolarHBondContact O-N 3.38Å; F307-A310 PolarHBondContact O-N 2.82Å; A310-S314 VanDerWaalsContact O-CB 3.28Å; A310-S314 WeakPolarHBondContact O-CB 3.07Å; A310-S314 PolarHBondContact O-N 3.18Å; A310-S314 PolarHBondContact O-OG 2.72Å
311F95.7Very high89.1Confident2 Ų237.8 Ų37.81%0.00919%0.191CC..Hα-helixtrans-61.7-49.6174.1172.2-106.8000111.2L194 L197 F198 V201 Y213 L242 F307 I308 F309 M313 S314 L315L194-F311 HydrophobicContact CD1-CD2 3.71Å; L194-F311 HydrophobicContact CD1-CE2 3.61Å; L197-F311 HydrophobicContact CB-CB 4.25Å; L197-F311 HydrophobicContact CB-CD2 4.26Å; F198-F311 HydrophobicContact CB-CD2 4.02Å; F198-F311 HydrophobicContact CB-CE2 3.58Å; F198-F311 HydrophobicContact CB-CZ 4.39Å; F198-F311 AromaticContact CD2-CE2 4Å; F198-F311 HydrophobicContact CD2-CE2 4Å; F198-F311 AromaticContact CD2-CZ 3.97Å; F198-F311 HydrophobicContact CD2-CZ 3.97Å; F198-F311 AromaticContact CG-CE2 3.8Å; F198-F311 HydrophobicContact CG-CE2 3.8Å; F198-F311 HydrophobicContact CG-CZ 4.13Å; V201-F311 HydrophobicContact CG2-CB 3.79Å; V201-F311 HydrophobicContact CG2-CG 4.3Å; Y213-F311 HydrophobicContact CD1-CE1 4.44Å; Y213-F311 HydrophobicContact CE1-CD1 4.5Å; Y213-F311 HydrophobicContact CE1-CE1 4.06Å; L242-F311 HydrophobicContact CD1-CZ 4.36Å; L242-F311 HydrophobicContact CD2-CE1 4.24Å; L242-F311 HydrophobicContact CD2-CZ 4.2Å; F307-F311 WeakPolarHBondContact O-CB 3.31Å; F307-F311 PolarHBondContact O-N 2.77Å; I308-F311 PolarHBondContact O-N 3.28Å; F309-F311 PolarHBondContact O-N 2.85Å; F311-M313 PolarHBondContact O-N 3.09Å; F311-S314 PolarHBondContact O-N 3.28Å; F311-L315 HydrophobicContact CE1-CD2 4.16Å; F311-L315 HydrophobicContact CZ-CD2 4.01Å; F311-L315 VanDerWaalsContact O-CB 3.27Å; F311-L315 WeakPolarHBondContact O-CB 3.49Å; F311-L315 PolarHBondContact O-N 3.28Å
312Y94.7Very high87.9Confident3 Ų340.4 Ų40.41%0.01220%0.203CC..Hα-helixtrans-56.1-50.5176.3170-87.5000111.3L36 P39 L243 S247 I308 F309 S314 L315 A316L36-Y312 VanDerWaalsContact C-OH 3.22Å; L36-Y312 WeakPolarHBondContact CA-OH 3.43Å; L36-Y312 HydrophobicContact CD2-CD1 3.76Å; L36-Y312 HydrophobicContact CD2-CD2 4.25Å; L36-Y312 HydrophobicContact CD2-CE1 3.6Å; L36-Y312 HydrophobicContact CD2-CE2 4.05Å; L36-Y312 HydrophobicContact CD2-CG 4.13Å; L36-Y312 PolarHBondContact O-OH 3.47Å; P39-Y312 HydrophobicContact CG-CE1 4.31Å; P39-Y312 VanDerWaalsContact CG-OH 3.24Å; P39-Y312 WeakPolarHBondContact CG-OH 3.37Å; L243-Y312 HydrophobicContact CB-CE2 4.39Å; L243-Y312 HydrophobicContact CD2-CD2 3.76Å; L243-Y312 HydrophobicContact CD2-CE2 3.69Å; S247-Y312 WeakPolarHBondContact OG-CE2 3.28Å; I308-Y312 VanDerWaalsContact O-CB 3.28Å; I308-Y312 WeakPolarHBondContact O-CB 3.22Å; I308-Y312 PolarHBondContact O-N 3.03Å; F309-Y312 PolarHBondContact O-N 3.25Å; Y312-S314 PolarHBondContact O-N 2.91Å; Y312-L315 PolarHBondContact O-N 2.9Å; Y312-A316 HydrophobicContact CE1-CB 4.36Å; Y312-A316 WeakPolarHBondContact O-CB 3.47Å; Y312-A316 PolarHBondContact O-N 2.68Å
313M91.1Very high86.5Confident49 Ų4939.4 Ų39.424%0.24121%0.207CC..Hα-helixtrans-63.7-40.3-179.5-70.1-61.5-71.400112W38 F309 F311 Y317W38-M313 HydrophobicContact CE3-CE 4.19Å; W38-M313 HydrophobicContact CZ3-CE 3.68Å; F309-M313 HydrophobicContact CD1-CG 4.26Å; F309-M313 HydrophobicContact CD2-CG 4.3Å; F309-M313 HydrophobicContact CE1-CG 3.83Å; F309-M313 HydrophobicContact CE2-CG 3.87Å; F309-M313 HydrophobicContact CE2-SD 4.05Å; F309-M313 HydrophobicContact CG-CG 4.48Å; F309-M313 HydrophobicContact CZ-CG 3.61Å; F309-M313 HydrophobicContact CZ-SD 3.92Å; F309-M313 WeakPolarHBondContact O-CB 3.38Å; F309-M313 VanDerWaalsContact O-CG 3.27Å; F309-M313 WeakPolarHBondContact O-CG 3.21Å; F309-M313 PolarHBondContact O-N 3.31Å; F311-M313 PolarHBondContact O-N 3.09Å; M313-Y317 VanDerWaalsContact O-CB 3.23Å; M313-Y317 WeakPolarHBondContact O-CB 3.5Å; M313-Y317 PolarHBondContact O-N 2.86Å
314S90.9Very high84.6Confident29 Ų2941.9 Ų41.920%0.20322%0.22CC..Hα-helixtrans-66.5-44.7177.9-60.30000111.7L197 A310 F311 Y312 Q318L197-S314 VanDerWaalsContact CD1-OG 3.26Å; L197-S314 WeakPolarHBondContact CD1-OG 3.01Å; A310-S314 VanDerWaalsContact O-CB 3.28Å; A310-S314 WeakPolarHBondContact O-CB 3.07Å; A310-S314 PolarHBondContact O-N 3.18Å; A310-S314 PolarHBondContact O-OG 2.72Å; F311-S314 PolarHBondContact O-N 3.28Å; Y312-S314 PolarHBondContact O-N 2.91Å; S314-Q318 WeakPolarHBondContact O-CG 3.29Å; S314-Q318 PolarHBondContact O-N 3.35Å
315L91.6Very high82.2Confident4 Ų447.4 Ų47.42%0.02126%0.256CS..Hα-helixtrans-64.2-44.4177.2-174.763.1000111L194 V239 L242 L243 F311 Y312 Q318 S319L194-L315 HydrophobicContact CD1-CB 3.96Å; L194-L315 HydrophobicContact CD1-CD1 4.26Å; L194-L315 HydrophobicContact CD2-CD1 3.9Å; V239-L315 HydrophobicContact CG1-CD1 4.01Å; V239-L315 HydrophobicContact CG1-CG 4.13Å; V239-L315 HydrophobicContact CG2-CD1 4.23Å; L242-L315 HydrophobicContact CB-CD2 3.61Å; L242-L315 HydrophobicContact CD1-CD2 4.34Å; L243-L315 HydrophobicContact CD2-CB 4.06Å; L243-L315 HydrophobicContact CD2-CD2 3.88Å; L243-L315 HydrophobicContact CD2-CG 3.92Å; L243-L315 HydrophobicContact CG-CD2 3.84Å; L243-L315 HydrophobicContact CG-CG 4.09Å; F311-L315 HydrophobicContact CE1-CD2 4.16Å; F311-L315 HydrophobicContact CZ-CD2 4.01Å; F311-L315 VanDerWaalsContact O-CB 3.27Å; F311-L315 WeakPolarHBondContact O-CB 3.49Å; F311-L315 PolarHBondContact O-N 3.28Å; Y312-L315 PolarHBondContact O-N 2.9Å; L315-Q318 PolarHBondContact O-N 3.37Å; L315-S319 WeakPolarHBondContact O-CB 3.42Å; L315-S319 PolarHBondContact O-N 2.96Å; L315-S319 PolarHBondContact O-OG 3.46Å
316A88.9Confident79.8Confident2 Ų250.3 Ų50.32%0.01727%0.273CS..Hα-helixtrans-64.1-44.8179.100000111.3P39 L243 Y312 Q318 S319 F320P39-A316 HydrophobicContact CB-CB 3.66Å; P39-A316 HydrophobicContact CG-CB 3.54Å; L243-A316 HydrophobicContact CD2-CB 3.83Å; Y312-A316 HydrophobicContact CE1-CB 4.36Å; Y312-A316 WeakPolarHBondContact O-CB 3.47Å; Y312-A316 PolarHBondContact O-N 2.68Å; A316-Q318 PolarHBondContact O-N 2.95Å; A316-S319 PolarHBondContact O-N 3.47Å; A316-S319 PolarHBondContact O-OG 2.94Å; A316-F320 WeakPolarHBondContact O-CB 3.45Å; A316-F320 PolarHBondContact O-N 3.25Å
317Y83.1Confident76.8Confident132 Ų13254.1 Ų54.152%0.51829%0.285SS..Hα-helixtrans-61.4-42.7176.4-178.6-103.6000112.5M313 F320 L321M313-Y317 VanDerWaalsContact O-CB 3.23Å; M313-Y317 WeakPolarHBondContact O-CB 3.5Å; M313-Y317 PolarHBondContact O-N 2.86Å; Y317-F320 WeakPolarHBondContact O-CB 3.36Å; Y317-F320 PolarHBondContact O-N 2.92Å; Y317-L321 HydrophobicContact CD1-CD1 3.88Å; Y317-L321 HydrophobicContact CD1-CG 4.3Å; Y317-L321 HydrophobicContact CE1-CD1 3.29Å; Y317-L321 HydrophobicContact CE1-CD2 4.47Å; Y317-L321 HydrophobicContact CE1-CG 3.89Å; Y317-L321 HydrophobicContact CE2-CD2 4.48Å; Y317-L321 HydrophobicContact CE2-CG 4.4Å; Y317-L321 WeakPolarHBondContact O-CG 3.47Å; Y317-L321 PolarHBondContact O-N 3.39Å
318Q81.6Confident73.9Confident21 Ų2161.3 Ų61.310%0.09831%0.311CS..Hα-helixtrans-66.3-43176.6-72.8-177.638.500112.2P190 S314 L315 A316 F320 L321 E322P190-Q318 PolarHBondContact O-NE2 3.36Å; S314-Q318 WeakPolarHBondContact O-CG 3.29Å; S314-Q318 PolarHBondContact O-N 3.35Å; L315-Q318 PolarHBondContact O-N 3.37Å; A316-Q318 PolarHBondContact O-N 2.95Å; Q318-F320 PolarHBondContact O-N 3.32Å; Q318-L321 PolarHBondContact O-N 2.92Å; Q318-E322 PolarHBondContact O-N 2.91Å; Q318-E322 VanDerWaalsContact O-N 3.17Å
319S80.7Confident70.7Confident37 Ų3772.5 Ų72.526%0.25935%0.353SS..Hα-helixtrans-61.2-34.1174.477.90000112.1L315 A316 S323L315-S319 WeakPolarHBondContact O-CB 3.42Å; L315-S319 PolarHBondContact O-N 2.96Å; L315-S319 PolarHBondContact O-OG 3.46Å; A316-S319 PolarHBondContact O-N 3.47Å; A316-S319 PolarHBondContact O-OG 2.94Å; S319-S323 PolarHBondContact O-N 2.95Å
320F73.6Confident67.7Low46 Ų4675.5 Ų75.520%0.20238%0.38CS..Hα-helixtrans-69.6-47.9175.8170.9-108.7000111.8A42 T43 A316 Y317 Q318 E322 S323 V324A42-F320 HydrophobicContact CB-CD2 3.56Å; A42-F320 HydrophobicContact CB-CE2 3.4Å; A42-F320 VanDerWaalsContact CB-CE2 3.4Å; A42-F320 HydrophobicContact CB-CG 4.28Å; A42-F320 HydrophobicContact CB-CZ 3.95Å; A42-F320 VanDerWaalsContact O-CE2 3.25Å; A42-F320 WeakPolarHBondContact O-CE2 3.31Å; T43-F320 HydrophobicContact CG2-CD2 3.96Å; A316-F320 WeakPolarHBondContact O-CB 3.45Å; A316-F320 PolarHBondContact O-N 3.25Å; Y317-F320 WeakPolarHBondContact O-CB 3.36Å; Y317-F320 PolarHBondContact O-N 2.92Å; Q318-F320 PolarHBondContact O-N 3.32Å; F320-E322 PolarHBondContact O-N 2.88Å; F320-S323 WeakPolarHBondContact O-CB 3.38Å; F320-S323 PolarHBondContact O-N 2.98Å; F320-S323 PolarHBondContact O-OG 3.39Å; F320-V324 HydrophobicContact CE2-CG2 4.37Å; F320-V324 HydrophobicContact CZ-CG2 4.17Å
321L68.5Low64.7Low81 Ų8181.6 Ų81.642%0.42441%0.407SS..Hα-helixtrans-58.7-36179.3-76.7-179.4000112.7Y317 Q318 S323 V324Y317-L321 HydrophobicContact CD1-CD1 3.88Å; Y317-L321 HydrophobicContact CD1-CG 4.3Å; Y317-L321 HydrophobicContact CE1-CD1 3.29Å; Y317-L321 HydrophobicContact CE1-CD2 4.47Å; Y317-L321 HydrophobicContact CE1-CG 3.89Å; Y317-L321 HydrophobicContact CE2-CD2 4.48Å; Y317-L321 HydrophobicContact CE2-CG 4.4Å; Y317-L321 WeakPolarHBondContact O-CG 3.47Å; Y317-L321 PolarHBondContact O-N 3.39Å; Q318-L321 PolarHBondContact O-N 2.92Å; L321-S323 VanDerWaalsContact C-N 3.29Å; L321-S323 PolarHBondContact O-N 3.02Å; L321-V324 PolarHBondContact O-N 3.37Å
322E64.3Low61.7Low56 Ų5686.6 Ų86.626%0.26244%0.44SS..Hα-helixtrans-68-30.9177.9-169.8167-146.700112.6R173 N174 L177 Q318 F320 V324R173-E322 VanDerWaalsContact O-OE1 3.11Å; N174-E322 VanDerWaalsContact CA-OE1 3.29Å; N174-E322 WeakPolarHBondContact CA-OE1 3.35Å; L177-E322 WeakPolarHBondContact CD1-OE2 3.37Å; Q318-E322 PolarHBondContact O-N 2.91Å; Q318-E322 VanDerWaalsContact O-N 3.17Å; F320-E322 PolarHBondContact O-N 2.88Å; E322-V324 VanDerWaalsContact C-N 3.27Å; E322-V324 PolarHBondContact O-N 3.38Å
323S58.8Low58.6Low53 Ų5392.6 Ų92.637%0.37148%0.482SS..Hα-helixtrans-72.5-15.2178.976.90000114.3T43 S319 F320 L321 P325T43-S323 WeakPolarHBondContact CG2-OG 3.4Å; S319-S323 PolarHBondContact O-N 2.95Å; F320-S323 WeakPolarHBondContact O-CB 3.38Å; F320-S323 PolarHBondContact O-N 2.98Å; F320-S323 PolarHBondContact O-OG 3.39Å; L321-S323 VanDerWaalsContact C-N 3.29Å; L321-S323 PolarHBondContact O-N 3.02Å; S323-P325 VanDerWaalsContact O-CD 3.24Å; S323-P325 WeakPolarHBondContact O-CD 3.15Å
324V52.9Low55.9Low66 Ų6695.3 Ų95.340%0.451%0.506SS..SBendtrans-82113.7-178.9-177.80000110F320 L321 E322 V326F320-V324 HydrophobicContact CE2-CG2 4.37Å; F320-V324 HydrophobicContact CZ-CG2 4.17Å; L321-V324 PolarHBondContact O-N 3.37Å; E322-V324 VanDerWaalsContact C-N 3.27Å; E322-V324 PolarHBondContact O-N 3.38Å; V324-V326 PolarHBondContact O-N 3.09Å
325P40.5Very low53Low117 Ų117105.2 Ų105.276%0.7654%0.539SS*.  trans-69.7102.8175.128.6-32.8000109.2S323 K327S323-P325 VanDerWaalsContact O-CD 3.24Å; S323-P325 WeakPolarHBondContact O-CD 3.15Å; P325-K327 PolarHBondContact O-N 3.31Å
326V44.7Very low50.1Low92 Ų92110.1 Ų110.156%0.55857%0.573SS**  trans-68.699.3167.6-179.70000107.5V324 R328V324-V326 PolarHBondContact O-N 3.09Å; V326-R328 PolarHBondContact O-N 3.01Å
327K30.3Very low47.3Very low199 Ų199115 Ų11587%0.86561%0.614SS**  trans-65.886.8168.3-167.3173.8-173.8178.30107.8P325 R329P325-K327 PolarHBondContact O-N 3.31Å; K327-R329 PolarHBondContact O-N 2.99Å
328R33.6Very low44.8Very low216 Ų216113.1 Ų113.182%0.81562%0.62SS**  trans-60.5107.8166.1-86.5-174.4-172.21663.2106.3V326 S330V326-R328 PolarHBondContact O-N 3.01Å; R328-S330 PolarHBondContact O-N 3.3Å
329R29.2Very low42.7Very low235 Ų235118.6 Ų118.689%0.88766%0.655SS**  trans-56.5106.6160.5-100.7177.6172.2162.7-2.7105.7K327 L331K327-R329 PolarHBondContact O-N 2.99Å; R329-L331 VanDerWaalsContact C-N 3.34Å; R329-L331 PolarHBondContact O-N 3.49Å
330S32.5Very low40.8Very low113 Ų113126.6 Ų126.679%0.7969%0.689SS**  trans-55.6104.2159.544.60000106.5R328R328-S330 PolarHBondContact O-N 3.3Å
331L31Very low38.9Very low160 Ų160129.5 Ų129.584%0.83871%0.714SS**  trans-63.9127.1168.9-160.273.4000106.2R329 S333R329-L331 VanDerWaalsContact C-N 3.34Å; R329-L331 PolarHBondContact O-N 3.49Å; L331-S333 PolarHBondContact O-N 2.85Å
332P33.3Very low37.3Very low108 Ų108132.8 Ų132.870%0.70173%0.732SS**  trans-64.4130178.318.2-18.3000108.6S334P332-S334 VanDerWaalsContact C-N 3.32Å; P332-S334 PolarHBondContact O-N 2.94Å
333S28.6Very low36.2Very low129 Ų129138.6 Ų138.690%0.90276%0.763SS**  trans-53.494.5166.1151.30000109L331L331-S333 PolarHBondContact O-N 2.85Å
334S35Very low35.2Very low106 Ų106141.3 Ų141.374%0.74178%0.781SS**  trans-97.2120.2167.6-175.30000108.5P332 S336P332-S334 VanDerWaalsContact C-N 3.32Å; P332-S334 PolarHBondContact O-N 2.94Å; S334-S336 PolarHBondContact O-N 3.41Å
335R29.9Very low34.4Very low237 Ų237146.9 Ų146.989%0.89480%0.803SS**  trans-28.5121.2167.9-72.4168.2-175.1166.11113.6
336S31Very low34.3Very low106 Ų106146.5 Ų146.574%0.74180%0.804SS**  trans-136.274.7145.154.30000107.3S334 S338S334-S336 PolarHBondContact O-N 3.41Å; S336-S338 VanDerWaalsContact C-N 3.33Å; S336-S338 PolarHBondContact O-N 3.26Å
337A30.5Very low34Very low106 Ų106147.5 Ų147.588%0.87681%0.812SS**  trans-73.391.816300000107
338S31.4Very low34Very low92 Ų92143.6 Ų143.664%0.64381%0.81SS**  trans-170.265.2171.3550000110S336S336-S338 VanDerWaalsContact C-N 3.33Å; S336-S338 PolarHBondContact O-N 3.26Å
339T37.4Very low34.2Very low135 Ų135137.3 Ų137.383%0.82880%0.804SS**SBendtrans-178.30.715314.80000113.9S341T339-S341 VanDerWaalsContact C-N 3.33Å; T339-S341 PolarHBondContact O-N 3.41Å
340E39.1Very low34.6Very low206 Ų206134.9 Ų134.996%0.96380%0.8SS**THydrogen-bonded Turntrans-88.366.3168.2-67-176.8139.900110.7
341S33.9Very low34.8Very low106 Ų106137.6 Ų137.674%0.74180%0.8SS**THydrogen-bonded Turntrans-151.913171.274.80000115T339T339-S341 VanDerWaalsContact C-N 3.33Å; T339-S341 PolarHBondContact O-N 3.41Å
342L35.5Very low35.1Very low150 Ų150137.6 Ų137.679%0.78580%0.8SS**SBendtrans-128.9130171.1-69.2171.7000108
343I41Very low35.3Very low178 Ų178137.1 Ų137.191%0.91381%0.806SS**  trans89.555.7176.7-40158000113.4
344S37Very low35.6Very low110 Ų110134.6 Ų134.677%0.76980%0.8SS**  trans-120.2106.1144.7-1720000107.5
345E37.7Very low35.7Very low184 Ų184135.6 Ų135.686%0.8680%0.804SS**  trans17087.5159.9-99.8179.2130.800105.1
346S38.6Very low35.8Very low109 Ų109132.9 Ų132.976%0.76280%0.799SS**  59.3156.487.9-72.90000114.7
347P37.9Very low36.3Very low113 Ų113133.1 Ų133.173%0.73479%0.791SS**  cis-144172.5-37.338.6-20.8000114.1
348S31Very low36.4Very low117 Ų117136 Ų13682%0.81879%0.787SS**  trans60117.6142.1-164.20000121.6
349A37.8Very low36.5Very low83 Ų83143.6 Ų143.669%0.68680%0.801SS**  162.4126.211200000113.7
350K37.6Very low36.2Very low185 Ų185142.7 Ų142.780%0.80480%0.795SS**  trans62.9110.5143.2-62.1-177.5179-1770118.9
351E36.7Very low36.1Very low170 Ų170142.8 Ų142.879%0.79479%0.792SS**  60.296.199.2-71-178151.100113.2
352D35.5Very low36Very low159 Ų159145.9 Ų145.985%0.8580%0.795SS**  168.2137.2114.5-92.2-31.3000112.9
353A38.9Very low36Very low99 Ų99147.8 Ų147.882%0.81880%0.8SS**  trans29.3116.6151.500000121.6
354G34.4Very low35.6Very low76 Ų76144.6 Ų144.678%0.78479%0.79SS**  trans93.2153.5133.500000118.2
355P36.4Very low35.6Very low127 Ų127146.2 Ų146.283%0.82580%0.795SS**  trans-115.7134-138.635-21.6000114.2
356F32.1Very low35.3Very low180 Ų180145.4 Ų145.479%0.78979%0.792SS**  trans-167.6122.5163.8-154-118.1000113.8
357I41.5Very low35.1Very low110 Ų110148 Ų14856%0.56480%0.797SS**  44.2116.3128.2-58.1-157.7000120.2
358Q32.4Very low34.7Very low168 Ų168148.8 Ų148.879%0.78580%0.8SS**  55116.9124.1-144.7165.8200119.4
359R34.4Very low35.1Very low251 Ų251147.9 Ų147.995%0.94780%0.799SS**  trans-144.6108.9155-119.4-176.1-147.41406.2111.8
360T31.7Very low34.9Very low115 Ų115152.5 Ų152.571%0.70681%0.807SS**  trans-79.1142.1160.8-25.10000108.6
361K37.3Very low34.9Very low208 Ų208148.8 Ų148.890%0.90480%0.801SS**  trans-146.3123.7155.6-116.5-178.5-179.4-178.50109.4
362E31.1Very low35Very low171 Ų171145.6 Ų145.680%0.79980%0.804SS**  trans-75.9156.9-178-61.3165141.300112.4
363H34.6Very low35Very low190 Ų190147.2 Ų147.288%0.8881%0.807SS**  trans-166.7126.7133.8-105.8-64.1000110.2
364P33.4Very low35Very low111 Ų111149 Ų14972%0.72181%0.807SS**  trans-103.8140.6174.735.6-26.5000111.7
365V36.9Very low35Very low144 Ų144150.7 Ų150.787%0.87380%0.804SS**  trans-145.9125.8158.4-179.50000109.6
366E30.8Very low34.7Very low168 Ų168154.1 Ų154.179%0.78581%0.806SS**  trans-66139.3176.5-177.4175.1-173.100112.6
367N34.6Very low34.7Very low163 Ų163149.1 Ų149.187%0.87281%0.806SS**  trans-157.7127.7154.9-91.8-27.4000111.4
368T29.7Very low34.2Very low130 Ų130153.3 Ų153.380%0.79882%0.823SS**  trans-67.1139.4-175-47.60000114.5
369A39.4Very low34.4Very low97 Ų97149.6 Ų149.680%0.80282%0.821SS**  trans-175.1100.3143.700000111.6
370E34Very low34.2Very low181 Ų181142.5 Ų142.585%0.84681%0.809SS**  trans-73.2176.9153.9-107.3-168.8128.100110.3
371P38.1Very low34.8Very low106 Ų106142 Ų14269%0.68881%0.809SS**  cis-136165.8-25.933.5-15.2000112.8
372A37.3Very low35.1Very low103 Ų103135.6 Ų135.685%0.85179%0.79SS**  trans-161.999.5150.600000110.7
373E36.1Very low35.6Very low193 Ų193131.9 Ų131.990%0.90278%0.782SS**  trans-69.9126.4168.7-69.7-179.2132.400111.2
374V38.9Very low36.3Very low138 Ų138125.4 Ų125.484%0.83677%0.766SS**  trans-141.7130.8148.5-179.10000107.9
375P35.1Very low37.4Very low110 Ų110127.5 Ų127.571%0.71476%0.764SS**  trans-97.5158.5-153.337.4-34.9000115.6
376K29.7Very low38.4Very low199 Ų199129.5 Ų129.587%0.86576%0.756SS**  trans44.6107.3143.7-67.1-179.2178.2178.90119.1
377G32.6Very low39.4Very low76 Ų76125.1 Ų125.178%0.78474%0.743SS**  trans-137.298146.600000109.3A379G377-A379 PolarHBondContact O-N 3.02Å
378E29.9Very low40.7Very low198 Ų198120 Ų12093%0.92572%0.723SS**  trans-63.4109.8174.9-72.6170154.200110.2
379A36.1Very low42.6Very low89 Ų89118.2 Ų118.274%0.73671%0.712SS**  trans-128.9115164.800000108.9G377G377-A379 PolarHBondContact O-N 3.02Å
380S30.3Very low44.1Very low102 Ų102119.2 Ų119.271%0.71370%0.703SS**  trans-39.2118.8-176.3-176.40000115.1
381P44.7Very low45.7Very low106 Ų106115.2 Ų115.269%0.68869%0.687SS**  trans-96.210.7-17836.3-33.1000114.6
382S44.8Very low47.3Very low73 Ų73113.4 Ų113.451%0.5168%0.677SS.*Hα-helixtrans-87.3-30-168.568.10000115.2
383C40.1Very low49Very low93 Ų93111.3 Ų111.363%0.62866%0.656SS**Hα-helixtrans-73.6-33.8-174.6-169.50000113.1K385 C387C383-K385 PolarHBondContact O-N 3.25Å; C383-C387 PolarHBondContact O-N 3.49Å; C383-C387 PolarHBondContact O-SG 3.45Å
384G49.6Very low50.7Low53 Ų53106.6 Ų106.655%0.54663%0.63SS.*Hα-helixtrans-68.7-32.2-178.300000114.8C387 A388G384-C387 PolarHBondContact O-N 2.96Å; G384-A388 PolarHBondContact O-N 3.18Å; G384-A388 VanDerWaalsContact O-N 3.1Å
385K57.2Low52.3Low156 Ų156106.3 Ų106.368%0.67862%0.62SS**Hα-helixtrans-68.8-41.7-179.4-73.6-178.2179.9178.40112.3C383 C387 A388 V389C383-K385 PolarHBondContact O-N 3.25Å; K385-C387 VanDerWaalsContact C-N 3.35Å; K385-A388 PolarHBondContact O-N 2.97Å; K385-V389 WeakPolarHBondContact O-CG2 3.42Å; K385-V389 PolarHBondContact O-N 3.23Å
386W58.1Low54.1Low186 Ų186109.4 Ų109.471%0.70562%0.622SS**Hα-helixtrans-65.4-38176-70.9102.1000112V389 L390W386-V389 PolarHBondContact O-N 2.93Å; W386-L390 VanDerWaalsContact O-CB 3.31Å; W386-L390 WeakPolarHBondContact O-CB 3.34Å; W386-L390 VanDerWaalsContact O-CG 3.3Å; W386-L390 WeakPolarHBondContact O-CG 3.43Å; W386-L390 PolarHBondContact O-N 2.87Å
387C52.2Low56.6Low76 Ų76103.7 Ų103.751%0.51460%0.6SS.*Hα-helixtrans-62.4-42.1173.7-68.60000112.2C383 G384 K385 L390 N391C383-C387 PolarHBondContact O-N 3.49Å; C383-C387 PolarHBondContact O-SG 3.45Å; G384-C387 PolarHBondContact O-N 2.96Å; K385-C387 VanDerWaalsContact C-N 3.35Å; C387-L390 PolarHBondContact O-N 3.29Å; C387-N391 WeakPolarHBondContact O-CB 3.5Å; C387-N391 PolarHBondContact O-N 2.95Å
388A60.5Low58.7Low56 Ų56104 Ų10446%0.46358%0.58SS.*Hα-helixtrans-66.6-40.6177.600000112.8G384 K385 N391 S392G384-A388 PolarHBondContact O-N 3.18Å; G384-A388 VanDerWaalsContact O-N 3.1Å; K385-A388 PolarHBondContact O-N 2.97Å; A388-N391 PolarHBondContact O-N 3.33Å; A388-S392 WeakPolarHBondContact O-CB 3.49Å; A388-S392 PolarHBondContact O-N 2.75Å; A388-S392 PolarHBondContact O-OG 3.19Å
389V69.9Low60.9Low92 Ų9298.1 Ų98.156%0.55856%0.559SS**Hα-helixtrans-65.7-44.2175.1173.70000110.9K385 W386 S392 C393K385-V389 WeakPolarHBondContact O-CG2 3.42Å; K385-V389 PolarHBondContact O-N 3.23Å; W386-V389 PolarHBondContact O-N 2.93Å; V389-S392 PolarHBondContact O-N 2.86Å; V389-C393 WeakPolarHBondContact O-CB 3.46Å; V389-C393 PolarHBondContact O-N 2.94Å
390L70Confident63.1Low118 Ų11899.7 Ų99.762%0.61855%0.55SS*.Hα-helixtrans-62.7-41.7176.6-77.8168.3000111.8W386 C387 C393 Y394W386-L390 VanDerWaalsContact O-CB 3.31Å; W386-L390 WeakPolarHBondContact O-CB 3.34Å; W386-L390 VanDerWaalsContact O-CG 3.3Å; W386-L390 WeakPolarHBondContact O-CG 3.43Å; W386-L390 PolarHBondContact O-N 2.87Å; C387-L390 PolarHBondContact O-N 3.29Å; L390-C393 PolarHBondContact O-N 3.18Å; L390-Y394 VanDerWaalsContact O-CB 3.26Å; L390-Y394 WeakPolarHBondContact O-CB 3.28Å; L390-Y394 PolarHBondContact O-N 3.03Å
391N69.5Low65.3Low96 Ų9699.3 Ų99.351%0.51354%0.539SS..Hα-helixtrans-67-41.9178.6-144.130.9000111.5C387 A388 C393 Y394 E395C387-N391 WeakPolarHBondContact O-CB 3.5Å; C387-N391 PolarHBondContact O-N 2.95Å; A388-N391 PolarHBondContact O-N 3.33Å; N391-C393 VanDerWaalsContact C-N 3.32Å; N391-C393 PolarHBondContact O-N 3.2Å; N391-Y394 WeakPolarHBondContact O-CB 3.31Å; N391-Y394 PolarHBondContact O-N 3.38Å; N391-E395 WeakPolarHBondContact O-CG 3.47Å; N391-E395 PolarHBondContact O-N 3.43Å
392S71.3Confident66.7Low68 Ų6898.7 Ų98.748%0.47653%0.53SS..Hα-helixtrans-65-36175.5-56.90000112.6A388 V389 K396A388-S392 WeakPolarHBondContact O-CB 3.49Å; A388-S392 PolarHBondContact O-N 2.75Å; A388-S392 PolarHBondContact O-OG 3.19Å; V389-S392 PolarHBondContact O-N 2.86Å; S392-K396 PolarHBondContact O-N 2.77Å
393C73.2Confident68.3Low59 Ų59102 Ų10240%0.39953%0.531SS..Hα-helixtrans-68.8-43.8174.9-165.50000110.6V389 L390 N391 K396 I397V389-C393 WeakPolarHBondContact O-CB 3.46Å; V389-C393 PolarHBondContact O-N 2.94Å; L390-C393 PolarHBondContact O-N 3.18Å; N391-C393 VanDerWaalsContact C-N 3.32Å; N391-C393 PolarHBondContact O-N 3.2Å; C393-K396 PolarHBondContact O-N 2.93Å; C393-I397 WeakPolarHBondContact O-CB 3.44Å; C393-I397 VanDerWaalsContact O-CG1 3.31Å; C393-I397 WeakPolarHBondContact O-CG1 3.06Å; C393-I397 PolarHBondContact O-N 3.3Å; C393-I397 WeakPolarHBondContact SG-CD1 3.49Å
394Y70.4Confident70.5Confident94 Ų94100.1 Ų100.137%0.36951%0.514SS..Hα-helixtrans-59.6-48.1175.9-178.9-97.1000111.4L183 L390 N391 K396 I397 F398L183-Y394 HydrophobicContact CD1-CE1 4.4Å; L390-Y394 VanDerWaalsContact O-CB 3.26Å; L390-Y394 WeakPolarHBondContact O-CB 3.28Å; L390-Y394 PolarHBondContact O-N 3.03Å; N391-Y394 WeakPolarHBondContact O-CB 3.31Å; N391-Y394 PolarHBondContact O-N 3.38Å; Y394-K396 PolarHBondContact O-N 3.14Å; Y394-I397 PolarHBondContact O-N 3.18Å; Y394-F398 HydrophobicContact CD1-CB 4.36Å; Y394-F398 HydrophobicContact CD2-CB 4.33Å; Y394-F398 HydrophobicContact CD2-CD2 4.43Å; Y394-F398 HydrophobicContact CE1-CB 4.23Å; Y394-F398 HydrophobicContact CE1-CD1 4.37Å; Y394-F398 HydrophobicContact CE1-CD2 4.3Å; Y394-F398 HydrophobicContact CE1-CG 4.07Å; Y394-F398 HydrophobicContact CE2-CB 4.19Å; Y394-F398 AromaticContact CE2-CD2 3.56Å; Y394-F398 HydrophobicContact CE2-CD2 3.56Å; Y394-F398 HydrophobicContact CE2-CE2 4.15Å; Y394-F398 HydrophobicContact CE2-CG 4.04Å; Y394-F398 HydrophobicContact CG-CB 4.42Å; Y394-F398 AromaticContact CZ-CD2 3.49Å; Y394-F398 VanDerWaalsContact CZ-CD2 3.49Å; Y394-F398 AromaticContact CZ-CE2 3.84Å; Y394-F398 AromaticContact CZ-CG 3.72Å; Y394-F398 WeakPolarHBondContact O-CA 3.48Å; Y394-F398 WeakPolarHBondContact O-CB 3.29Å; Y394-F398 PolarHBondContact O-N 2.97Å; Y394-F398 WeakPolarHBondContact OH-CD2 3.16Å; Y394-F398 WeakPolarHBondContact OH-CE2 3.49Å; Y394-F398 WeakPolarHBondContact OH-CZ 3.35Å
395E72.2Confident72.2Confident132 Ų132101.5 Ų101.562%0.61751%0.506SS*.Hα-helixtrans-58.9-33.3179.1-76.6-176.8176.400113.6N391 P399N391-E395 WeakPolarHBondContact O-CG 3.47Å; N391-E395 PolarHBondContact O-N 3.43Å; E395-P399 WeakPolarHBondContact O-CD 3.25Å; E395-P399 WeakPolarHBondContact O-CG 3.36Å
396K74.6Confident73.7Confident175 Ų17596 Ų9676%0.76148%0.481SS*.Hα-helixtrans-84.9-39178.5-68.8-176.7-179.4-179.30113.3S392 C393 Y394S392-K396 PolarHBondContact O-N 2.77Å; C393-K396 PolarHBondContact O-N 2.93Å; Y394-K396 PolarHBondContact O-N 3.14Å
397I80.5Confident75.2Confident79 Ų7988.9 Ų88.941%0.40546%0.458SS..Hα-helixtrans-81.5-36.6-176.2-66.5178.6000111.1C393 Y394 F400 L401C393-I397 WeakPolarHBondContact O-CB 3.44Å; C393-I397 VanDerWaalsContact O-CG1 3.31Å; C393-I397 WeakPolarHBondContact O-CG1 3.06Å; C393-I397 PolarHBondContact O-N 3.3Å; C393-I397 WeakPolarHBondContact SG-CD1 3.49Å; Y394-I397 PolarHBondContact O-N 3.18Å; I397-F400 CarbonylContact O-C 3.24Å; I397-F400 WeakPolarHBondContact O-CA 3.37Å; I397-F400 WeakPolarHBondContact O-CB 3.3Å; I397-F400 PolarHBondContact O-N 3.35Å; I397-L401 HydrophobicContact CG2-CD1 3.74Å; I397-L401 WeakPolarHBondContact O-CB 3.33Å; I397-L401 PolarHBondContact O-N 3.2Å
398F77.2Confident76.8Confident83 Ų8389 Ų8936%0.36446%0.456SS..Hα-helixtrans-58.6-44.7-173.6-175.1-107.9000113.3Y394 F400 L401 L402Y394-F398 HydrophobicContact CD1-CB 4.36Å; Y394-F398 HydrophobicContact CD2-CB 4.33Å; Y394-F398 HydrophobicContact CD2-CD2 4.43Å; Y394-F398 HydrophobicContact CE1-CB 4.23Å; Y394-F398 HydrophobicContact CE1-CD1 4.37Å; Y394-F398 HydrophobicContact CE1-CD2 4.3Å; Y394-F398 HydrophobicContact CE1-CG 4.07Å; Y394-F398 HydrophobicContact CE2-CB 4.19Å; Y394-F398 AromaticContact CE2-CD2 3.56Å; Y394-F398 HydrophobicContact CE2-CD2 3.56Å; Y394-F398 HydrophobicContact CE2-CE2 4.15Å; Y394-F398 HydrophobicContact CE2-CG 4.04Å; Y394-F398 HydrophobicContact CG-CB 4.42Å; Y394-F398 AromaticContact CZ-CD2 3.49Å; Y394-F398 VanDerWaalsContact CZ-CD2 3.49Å; Y394-F398 AromaticContact CZ-CE2 3.84Å; Y394-F398 AromaticContact CZ-CG 3.72Å; Y394-F398 WeakPolarHBondContact O-CA 3.48Å; Y394-F398 WeakPolarHBondContact O-CB 3.29Å; Y394-F398 PolarHBondContact O-N 2.97Å; Y394-F398 WeakPolarHBondContact OH-CD2 3.16Å; Y394-F398 WeakPolarHBondContact OH-CE2 3.49Å; Y394-F398 WeakPolarHBondContact OH-CZ 3.35Å; F398-F400 VanDerWaalsContact C-N 3.32Å; F398-F400 PolarHBondContact O-N 3.01Å; F398-L401 PolarHBondContact O-N 3.12Å; F398-L402 HydrophobicContact CD1-CD1 3.74Å; F398-L402 HydrophobicContact CD1-CG 4.36Å; F398-L402 HydrophobicContact CE1-CD1 3.34Å; F398-L402 HydrophobicContact CE1-CG 4.09Å; F398-L402 HydrophobicContact CE2-CD1 4.41Å; F398-L402 HydrophobicContact CE2-CD2 4.46Å; F398-L402 HydrophobicContact CE2-CG 4.29Å; F398-L402 HydrophobicContact CG-CD1 4.43Å; F398-L402 HydrophobicContact CZ-CD1 3.72Å; F398-L402 HydrophobicContact CZ-CD2 4.19Å; F398-L402 HydrophobicContact CZ-CG 4.04Å; F398-L402 WeakPolarHBondContact O-CB 3.44Å; F398-L402 WeakPolarHBondContact O-CG 3Å; F398-L402 PolarHBondContact O-N 3.5Å
399P76.8Confident78.1Confident75 Ų7586.3 Ų86.349%0.48743%0.434SS..Hα-helixtrans-62.6-37.5173.6-22.133.8000113E395 R403E395-P399 WeakPolarHBondContact O-CD 3.25Å; E395-P399 WeakPolarHBondContact O-CG 3.36Å; P399-R403 WeakPolarHBondContact O-CB 3.49Å; P399-R403 PolarHBondContact O-N 3.42Å
400F81.2Confident79Confident121 Ų12181.9 Ų81.953%0.53141%0.407SS..Hα-helixtrans-66.8-39.9176.2178.8-94.4000111.6I397 F398 R403 N404I397-F400 CarbonylContact O-C 3.24Å; I397-F400 WeakPolarHBondContact O-CA 3.37Å; I397-F400 WeakPolarHBondContact O-CB 3.3Å; I397-F400 PolarHBondContact O-N 3.35Å; F398-F400 VanDerWaalsContact C-N 3.32Å; F398-F400 PolarHBondContact O-N 3.01Å; F400-R403 PolarHBondContact O-N 3.04Å; F400-N404 WeakPolarHBondContact CE1-ND2 3.19Å; F400-N404 WeakPolarHBondContact CE2-ND2 3.33Å; F400-N404 WeakPolarHBondContact CZ-ND2 3.26Å; F400-N404 PolarHBondContact O-N 3.28Å; F400-N404 VanDerWaalsContact O-N 3.17Å; F400-N404 PolarHBondContact O-ND2 3.45Å
401L78Confident80Confident95 Ų9579.7 Ų79.750%0.49740%0.399SS..Hα-helixtrans-68.2-45.3179.2-139132.5000110.8I397 F398 R403 N404 F405I397-L401 HydrophobicContact CG2-CD1 3.74Å; I397-L401 WeakPolarHBondContact O-CB 3.33Å; I397-L401 PolarHBondContact O-N 3.2Å; F398-L401 PolarHBondContact O-N 3.12Å; L401-R403 VanDerWaalsContact C-N 3.28Å; L401-R403 PolarHBondContact O-N 3.28Å; L401-N404 CarbonylContact O-C 3.56Å; L401-N404 PolarHBondContact O-N 3.07Å; L401-F405 PolarHBondContact O-N 3.44Å
402L73.7Confident80.8Confident92 Ų9276.6 Ų76.648%0.48238%0.382SS..Hα-helixtrans-59.5-37.3173.3-75.3176.3000112.4F398F398-L402 HydrophobicContact CD1-CD1 3.74Å; F398-L402 HydrophobicContact CD1-CG 4.36Å; F398-L402 HydrophobicContact CE1-CD1 3.34Å; F398-L402 HydrophobicContact CE1-CG 4.09Å; F398-L402 HydrophobicContact CE2-CD1 4.41Å; F398-L402 HydrophobicContact CE2-CD2 4.46Å; F398-L402 HydrophobicContact CE2-CG 4.29Å; F398-L402 HydrophobicContact CG-CD1 4.43Å; F398-L402 HydrophobicContact CZ-CD1 3.72Å; F398-L402 HydrophobicContact CZ-CD2 4.19Å; F398-L402 HydrophobicContact CZ-CG 4.04Å; F398-L402 WeakPolarHBondContact O-CB 3.44Å; F398-L402 WeakPolarHBondContact O-CG 3Å; F398-L402 PolarHBondContact O-N 3.5Å
403R79.2Confident81.6Confident143 Ų14373.5 Ų73.554%0.5436%0.36SS..Hα-helixtrans-68.3-33.4178-168.5172.275.4-175.64.3112.9P399 F400 L401 Y406P399-R403 WeakPolarHBondContact O-CB 3.49Å; P399-R403 PolarHBondContact O-N 3.42Å; F400-R403 PolarHBondContact O-N 3.04Å; L401-R403 VanDerWaalsContact C-N 3.28Å; L401-R403 PolarHBondContact O-N 3.28Å; R403-Y406 WeakPolarHBondContact O-CD1 3.36Å
404N84.9Confident82.4Confident53 Ų5374 Ų7428%0.28336%0.357SS..Hα-helixtrans-99.30.1-177.9-68.4-67.4000113.8F400 L401 Y406 T407 V408F400-N404 WeakPolarHBondContact CE1-ND2 3.19Å; F400-N404 WeakPolarHBondContact CE2-ND2 3.33Å; F400-N404 WeakPolarHBondContact CZ-ND2 3.26Å; F400-N404 PolarHBondContact O-N 3.28Å; F400-N404 VanDerWaalsContact O-N 3.17Å; F400-N404 PolarHBondContact O-ND2 3.45Å; L401-N404 CarbonylContact O-C 3.56Å; L401-N404 PolarHBondContact O-N 3.07Å; N404-Y406 VanDerWaalsContact C-N 3.26Å; N404-Y406 PolarHBondContact O-N 3.23Å; N404-T407 WeakPolarHBondContact O-CB 3.48Å; N404-T407 PolarHBondContact O-N 3.49Å; N404-V408 PolarHBondContact O-N 3.43Å
405F86.1Confident83.2Confident82 Ų8272.7 Ų72.736%0.3636%0.359SS..Hα-helixtrans-57.9-38.7-175-168.3-103.7000112.4L401 T407 V408 S409 K509L401-F405 PolarHBondContact O-N 3.44Å; F405-T407 PolarHBondContact O-N 2.83Å; F405-V408 WeakPolarHBondContact O-CB 3.37Å; F405-V408 PolarHBondContact O-N 3.05Å; F405-S409 PolarHBondContact O-N 3.22Å; F405-S409 PolarHBondContact O-OG 3.31Å; F405-S409 VanDerWaalsContact O-OG 3.12Å; F405-K509 WeakPolarHBondContact CE1-O 3.46Å; F405-K509 WeakPolarHBondContact CZ-O 3.17Å
406Y88.3Confident83.9Confident42 Ų4266.8 Ų66.817%0.16533%0.331CS..Hα-helixtrans-58.2-35.4177.282.2-84.4000113R403 N404 S409 L410 R442 F445R403-Y406 WeakPolarHBondContact O-CD1 3.36Å; N404-Y406 VanDerWaalsContact C-N 3.26Å; N404-Y406 PolarHBondContact O-N 3.23Å; Y406-S409 PolarHBondContact O-N 3.04Å; Y406-L410 HydrophobicContact CD2-CD1 4.04Å; Y406-L410 HydrophobicContact CE2-CD1 4.46Å; Y406-L410 WeakPolarHBondContact O-CG 3.49Å; Y406-L410 PolarHBondContact O-N 2.77Å; Y406-R442 HydrophobicContact CD1-CB 4.19Å; Y406-R442 HydrophobicContact CD1-CG 3.95Å; Y406-R442 HydrophobicContact CD2-CB 4.45Å; Y406-R442 HydrophobicContact CE1-CB 3.94Å; Y406-R442 HydrophobicContact CE1-CG 4.08Å; Y406-R442 HydrophobicContact CE2-CB 4.22Å; Y406-R442 HydrophobicContact CG-CB 4.44Å; Y406-R442 HydrophobicContact CG-CG 4.35Å; Y406-F445 HydrophobicContact CD2-CB 4.34Å
407T88.7Confident84.4Confident36 Ų3658.8 Ų58.822%0.22130%0.297CS..Hα-helixtrans-67.8-41.9176.8-49.80000110.6N404 F405 L410 V411 W436N404-T407 WeakPolarHBondContact O-CB 3.48Å; N404-T407 PolarHBondContact O-N 3.49Å; F405-T407 PolarHBondContact O-N 2.83Å; T407-L410 PolarHBondContact O-N 2.92Å; T407-V411 VanDerWaalsContact O-CG2 3.32Å; T407-V411 WeakPolarHBondContact O-CG2 3.49Å; T407-V411 PolarHBondContact O-N 3.01Å; T407-W436 HydrophobicContact CG2-CH2 4.09Å; T407-W436 HydrophobicContact CG2-CZ2 4.05Å
408V87.3Confident84.6Confident77 Ų7760.2 Ų60.247%0.46731%0.31SS..Hα-helixtrans-62.9-45.5175.9178.70000110.3N404 F405 L410 V411 I412N404-V408 PolarHBondContact O-N 3.43Å; F405-V408 WeakPolarHBondContact O-CB 3.37Å; F405-V408 PolarHBondContact O-N 3.05Å; V408-L410 PolarHBondContact O-N 3.25Å; V408-V411 PolarHBondContact O-N 3.17Å; V408-I412 HydrophobicContact CG1-CD1 3.91Å; V408-I412 HydrophobicContact CG1-CG1 4.49Å; V408-I412 VanDerWaalsContact O-CG1 3.31Å; V408-I412 WeakPolarHBondContact O-CG1 3.37Å; V408-I412 PolarHBondContact O-N 3.37Å
409S86.7Confident84.9Confident0 Ų061.6 Ų61.60%032%0.32CS..Hα-helixtrans-56.8-48.3175.3-56.10000111.2F405 Y406 V411 I412 M413 K509F405-S409 PolarHBondContact O-N 3.22Å; F405-S409 PolarHBondContact O-OG 3.31Å; F405-S409 VanDerWaalsContact O-OG 3.12Å; Y406-S409 PolarHBondContact O-N 3.04Å; S409-V411 PolarHBondContact O-N 3.16Å; S409-I412 WeakPolarHBondContact O-CB 3.28Å; S409-I412 PolarHBondContact O-N 2.87Å; S409-M413 VanDerWaalsContact O-CG 3.26Å; S409-M413 WeakPolarHBondContact O-CG 3.16Å; S409-M413 PolarHBondContact O-N 3.08Å; S409-K509 PolarHBondContact OG-O 2.92Å
410L89.5Confident84.9Confident0 Ų060 Ų600%031%0.305CS..Hα-helixtrans-62.5-39.4176.9-74.2169.6000113.4Y406 T407 V408 M413 M414 A432 V435 F445Y406-L410 HydrophobicContact CD2-CD1 4.04Å; Y406-L410 HydrophobicContact CE2-CD1 4.46Å; Y406-L410 WeakPolarHBondContact O-CG 3.49Å; Y406-L410 PolarHBondContact O-N 2.77Å; T407-L410 PolarHBondContact O-N 2.92Å; V408-L410 PolarHBondContact O-N 3.25Å; L410-M413 HydrophobicContact CD2-SD 4.16Å; L410-M413 WeakPolarHBondContact O-CB 3.3Å; L410-M413 PolarHBondContact O-N 3.41Å; L410-M414 WeakPolarHBondContact O-CG 3.37Å; L410-M414 PolarHBondContact O-N 2.83Å; L410-A432 HydrophobicContact CD2-CB 4.24Å; L410-V435 HydrophobicContact CD1-CG1 3.75Å; L410-V435 HydrophobicContact CD2-CB 3.99Å; L410-V435 HydrophobicContact CD2-CG1 3.91Å; L410-V435 HydrophobicContact CG-CG1 4.42Å; L410-F445 HydrophobicContact CD1-CD2 4.35Å; L410-F445 HydrophobicContact CD2-CD2 3.93Å; L410-F445 HydrophobicContact CD2-CE2 4.25Å; L410-F445 HydrophobicContact CG-CD2 3.89Å; L410-F445 HydrophobicContact CG-CE2 4.17Å
411V90.2Very high84.9Confident72 Ų7262.7 Ų62.744%0.43632%0.319SS..Hα-helixtrans-63.7-45.1175.4170.70000110.4T407 V408 S409 M413 M414 T415T407-V411 VanDerWaalsContact O-CG2 3.32Å; T407-V411 WeakPolarHBondContact O-CG2 3.49Å; T407-V411 PolarHBondContact O-N 3.01Å; V408-V411 PolarHBondContact O-N 3.17Å; S409-V411 PolarHBondContact O-N 3.16Å; V411-M413 VanDerWaalsContact C-N 3.28Å; V411-M413 PolarHBondContact O-N 2.88Å; V411-M414 PolarHBondContact O-N 2.98Å; V411-M414 VanDerWaalsContact O-N 3.16Å; V411-T415 WeakPolarHBondContact O-CB 3.1Å; V411-T415 PolarHBondContact O-N 3.44Å; V411-T415 PolarHBondContact O-OG1 2.99Å
412I87.8Confident85.2Confident31 Ų3159 Ų5916%0.15930%0.301CS..Hα-helixtrans-58.4-42.8175.5-69.4167.4000110.8V408 S409 M414 T415 W416 K509V408-I412 HydrophobicContact CG1-CD1 3.91Å; V408-I412 HydrophobicContact CG1-CG1 4.49Å; V408-I412 VanDerWaalsContact O-CG1 3.31Å; V408-I412 WeakPolarHBondContact O-CG1 3.37Å; V408-I412 PolarHBondContact O-N 3.37Å; S409-I412 WeakPolarHBondContact O-CB 3.28Å; S409-I412 PolarHBondContact O-N 2.87Å; I412-M414 PolarHBondContact O-N 3.35Å; I412-T415 PolarHBondContact O-N 3.49Å; I412-W416 WeakPolarHBondContact O-CB 3.41Å; I412-W416 PolarHBondContact O-N 2.75Å; I412-K509 HydrophobicContact CD1-CB 3.98Å; I412-K509 HydrophobicContact CD1-CD 3.85Å
413M87.5Confident85.7Confident2 Ų262.7 Ų62.71%0.0131%0.309CS..Hα-helixtrans-57.9-47.2175.4-71.5-174.866.500112.1S409 L410 V411 W416 A417 W428 I431 A432 F445 I452 L510S409-M413 VanDerWaalsContact O-CG 3.26Å; S409-M413 WeakPolarHBondContact O-CG 3.16Å; S409-M413 PolarHBondContact O-N 3.08Å; L410-M413 HydrophobicContact CD2-SD 4.16Å; L410-M413 WeakPolarHBondContact O-CB 3.3Å; L410-M413 PolarHBondContact O-N 3.41Å; V411-M413 VanDerWaalsContact C-N 3.28Å; V411-M413 PolarHBondContact O-N 2.88Å; M413-W416 PolarHBondContact O-N 3.38Å; M413-A417 PolarHBondContact O-N 2.85Å; M413-W428 VanDerWaalsContact CA-NE1 3.28Å; M413-W428 HydrophobicContact CE-CD2 4.3Å; M413-W428 HydrophobicContact CE-CG 4.29Å; M413-W428 HydrophobicContact CE-CZ2 3.93Å; M413-W428 HydrophobicContact CG-CZ2 4.06Å; M413-W428 VanDerWaalsContact O-CD1 3.27Å; M413-W428 HydrophobicContact SD-CZ2 4.47Å; M413-I431 HydrophobicContact CE-CG2 4.34Å; M413-A432 HydrophobicContact CB-CB 4.36Å; M413-A432 HydrophobicContact CE-CB 4.49Å; M413-F445 HydrophobicContact SD-CE2 4.47Å; M413-I452 HydrophobicContact CE-CB 4.43Å; M413-I452 HydrophobicContact CE-CD1 4.01Å; M413-I452 HydrophobicContact CE-CG1 3.95Å; M413-I452 HydrophobicContact CE-CG2 3.63Å; M413-I452 HydrophobicContact SD-CD1 4.04Å; M413-I452 HydrophobicContact SD-CG1 4.48Å; M413-I452 HydrophobicContact SD-CG2 3.73Å; M413-L510 HydrophobicContact CG-CD1 4.42Å; M413-L510 HydrophobicContact CG-CD2 3.58Å; M413-L510 HydrophobicContact SD-CD2 4.2Å
414M89.3Confident86Confident69 Ų6957.8 Ų57.834%0.3429%0.293SS..Hα-helixtrans-65.9-43.9177.5-67.5175.871.500111.6L410 V411 I412 W416 A417 V418 A432L410-M414 WeakPolarHBondContact O-CG 3.37Å; L410-M414 PolarHBondContact O-N 2.83Å; V411-M414 PolarHBondContact O-N 2.98Å; V411-M414 VanDerWaalsContact O-N 3.16Å; I412-M414 PolarHBondContact O-N 3.35Å; M414-W416 VanDerWaalsContact C-N 3.33Å; M414-W416 PolarHBondContact O-N 3.45Å; M414-A417 PolarHBondContact O-N 3.2Å; M414-V418 WeakPolarHBondContact O-CG2 3.49Å; M414-V418 PolarHBondContact O-N 3.4Å; M414-V418 VanDerWaalsContact O-N 3.09Å; M414-A432 HydrophobicContact CG-CB 3.86Å
415T88.5Confident86Confident67 Ų6755.4 Ų55.441%0.41128%0.281SS..Hα-helixtrans-60.3-42.1177.5-57.90000111.3V411 I412 A417 V418 L419V411-T415 WeakPolarHBondContact O-CB 3.1Å; V411-T415 PolarHBondContact O-N 3.44Å; V411-T415 PolarHBondContact O-OG1 2.99Å; I412-T415 PolarHBondContact O-N 3.49Å; T415-A417 VanDerWaalsContact C-N 3.33Å; T415-A417 PolarHBondContact O-N 3.05Å; T415-V418 PolarHBondContact O-N 3.36Å; T415-L419 HydrophobicContact CG2-CD1 3.73Å; T415-L419 HydrophobicContact CG2-CG 4.04Å; T415-L419 WeakPolarHBondContact O-CB 3.47Å; T415-L419 VanDerWaalsContact O-CG 3.23Å; T415-L419 WeakPolarHBondContact O-CG 3.37Å; T415-L419 PolarHBondContact O-N 2.96Å
416W85.5Confident86.1Confident8 Ų856.9 Ų56.93%0.0329%0.287CS..Hα-helixtrans-56.3-49.4174.5-177-50.8000111.3I412 M413 M414 V418 L419 Y420 L460 K503 V507I412-W416 WeakPolarHBondContact O-CB 3.41Å; I412-W416 PolarHBondContact O-N 2.75Å; M413-W416 PolarHBondContact O-N 3.38Å; M414-W416 VanDerWaalsContact C-N 3.33Å; M414-W416 PolarHBondContact O-N 3.45Å; W416-V418 VanDerWaalsContact C-N 3.26Å; W416-V418 PolarHBondContact O-N 3.26Å; W416-L419 PolarHBondContact O-N 3.4Å; W416-Y420 AromaticContact CD1-CD2 3.76Å; W416-Y420 HydrophobicContact CG-CD2 4.16Å; W416-Y420 AromaticContact NE1-CD2 3.95Å; W416-Y420 WeakPolarHBondContact O-CD2 3.39Å; W416-Y420 PolarHBondContact O-N 3.44Å; W416-L460 HydrophobicContact CH2-CD2 4.01Å; W416-K503 HydrophobicContact CD2-CG 4.11Å; W416-K503 HydrophobicContact CE3-CB 4.43Å; W416-K503 HydrophobicContact CE3-CG 4.18Å; W416-K503 HydrophobicContact CH2-CB 3.38Å; W416-K503 HydrophobicContact CH2-CD 4.05Å; W416-K503 HydrophobicContact CH2-CG 3.6Å; W416-K503 HydrophobicContact CZ2-CB 3.77Å; W416-K503 HydrophobicContact CZ2-CD 3.5Å; W416-K503 HydrophobicContact CZ2-CG 3.48Å; W416-K503 VanDerWaalsContact CZ2-CG 3.48Å; W416-K503 HydrophobicContact CZ3-CB 3.74Å; W416-K503 HydrophobicContact CZ3-CG 3.94Å; W416-K503 WeakPolarHBondContact CZ3-O 3.32Å; W416-V507 HydrophobicContact CH2-CG2 3.75Å; W416-V507 HydrophobicContact CZ3-CG2 3.56Å
417A85.6Confident86.1Confident7 Ų757.9 Ų57.96%0.05830%0.297CS..Hα-helixtrans-63.9-32.6-176.900000113.2M413 M414 T415 S425 L429M413-A417 PolarHBondContact O-N 2.85Å; M414-A417 PolarHBondContact O-N 3.2Å; T415-A417 VanDerWaalsContact C-N 3.33Å; T415-A417 PolarHBondContact O-N 3.05Å; A417-S425 WeakPolarHBondContact CB-O 3.45Å; A417-S425 PolarHBondContact O-OG 3.41Å; A417-L429 HydrophobicContact CB-CB 3.7Å; A417-L429 HydrophobicContact CB-CD1 3.89Å; A417-L429 HydrophobicContact CB-CG 4.36Å
418V85.8Confident86Confident110 Ų11056.2 Ų56.267%0.66729%0.287SS*.Hα-helixtrans-75.2-41.1174.3176.30000111.9M414 T415 W416M414-V418 WeakPolarHBondContact O-CG2 3.49Å; M414-V418 PolarHBondContact O-N 3.4Å; M414-V418 VanDerWaalsContact O-N 3.09Å; T415-V418 PolarHBondContact O-N 3.36Å; W416-V418 VanDerWaalsContact C-N 3.26Å; W416-V418 PolarHBondContact O-N 3.26Å
419L82.9Confident86.1Confident112 Ų11255 Ų5559%0.58628%0.277SS*.Hα-helixtrans-67.6-36.8-179.2-74.5175.8000112.7T415 W416T415-L419 HydrophobicContact CG2-CD1 3.73Å; T415-L419 HydrophobicContact CG2-CG 4.04Å; T415-L419 WeakPolarHBondContact O-CB 3.47Å; T415-L419 VanDerWaalsContact O-CG 3.23Å; T415-L419 WeakPolarHBondContact O-CG 3.37Å; T415-L419 PolarHBondContact O-N 2.96Å; W416-L419 PolarHBondContact O-N 3.4Å
420Y76.1Confident86.3Confident40 Ų4057.5 Ų57.516%0.15729%0.293CS..SBendtrans-118.384.5-176.7-58.7-73.1000109.1W416 S422 S425 H499 K503W416-Y420 AromaticContact CD1-CD2 3.76Å; W416-Y420 HydrophobicContact CG-CD2 4.16Å; W416-Y420 AromaticContact NE1-CD2 3.95Å; W416-Y420 WeakPolarHBondContact O-CD2 3.39Å; W416-Y420 PolarHBondContact O-N 3.44Å; Y420-S422 PolarHBondContact O-N 3.2Å; Y420-S422 VanDerWaalsContact O-N 3.07Å; Y420-S425 WeakPolarHBondContact O-CB 3.37Å; Y420-S425 PolarHBondContact O-OG 3.49Å; Y420-H499 HydrophobicContact CE1-CB 4.1Å; Y420-H499 AromaticContact CE1-CE1 3.96Å; Y420-H499 AromaticContact CE1-CG 3.86Å; Y420-H499 AromaticContact CE1-ND1 3.27Å; Y420-H499 VanDerWaalsContact CE1-ND1 3.27Å; Y420-H499 WeakPolarHBondContact CE1-ND1 3.49Å; Y420-H499 AromaticContact CZ-ND1 3.5Å; Y420-H499 PolarHBondContact OH-ND1 3.16Å; Y420-K503 HydrophobicContact CD2-CD 4.4Å; Y420-K503 HydrophobicContact CD2-CG 4.41Å; Y420-K503 HydrophobicContact CE2-CD 4.13Å; Y420-K503 HydrophobicContact CE2-CG 3.83Å; Y420-K503 VanDerWaalsContact CZ-CE 3.42Å
421H82.1Confident86.3Confident178 Ų17858.7 Ų58.782%0.82430%0.299SS*.  trans-67.3107.6-177.6-172.1-79000111.1
422S83.8Confident86.3Confident18 Ų1855.2 Ų55.213%0.12628%0.278CS..SBendtrans-156.8160.1176.775.90000112.9Y420 L424 S425 F426 I487Y420-S422 PolarHBondContact O-N 3.2Å; Y420-S422 VanDerWaalsContact O-N 3.07Å; S422-L424 PolarHBondContact O-N 2.75Å; S422-L424 PolarHBondContact OG-N 2.97Å; S422-S425 PolarHBondContact N-OG 3.37Å; S422-S425 VanDerWaalsContact N-OG 3.1Å; S422-S425 PolarHBondContact O-N 3.33Å; S422-S425 VanDerWaalsContact O-N 3.14Å; S422-S425 PolarHBondContact O-OG 2.94Å; S422-S425 PolarHBondContact OG-N 3.35Å; S422-S425 PolarHBondContact OG-OG 3.45Å; S422-F426 PolarHBondContact O-N 3.37Å; S422-I487 VanDerWaalsContact CB-O 3.32Å; S422-I487 WeakPolarHBondContact CB-O 3.25Å; S422-I487 PolarHBondContact OG-O 2.72Å
423W84.3Confident86.5Confident169 Ų16956.1 Ų56.164%0.6429%0.287SS*.Hα-helixtrans-58-37.1172.7-83.3101.2000112.6F426 V427 Q486W423-F426 HydrophobicContact CE3-CD1 4.43Å; W423-F426 HydrophobicContact CZ3-CD1 4.46Å; W423-F426 WeakPolarHBondContact O-CB 3.38Å; W423-F426 PolarHBondContact O-N 2.62Å; W423-V427 PolarHBondContact O-N 3.22Å; W423-Q486 PolarHBondContact N-O 3.29Å
424L85.1Confident86.7Confident40 Ų4059.7 Ų59.721%0.20931%0.305CS..Hα-helixtrans-65.5-38.1176.4-71.6177.1000112.4S422 Y455 L459 L462 I487 L489S422-L424 PolarHBondContact O-N 2.75Å; S422-L424 PolarHBondContact OG-N 2.97Å; L424-Y455 WeakPolarHBondContact CA-OH 3.43Å; L424-Y455 PolarHBondContact O-OH 3.24Å; L424-L459 HydrophobicContact CB-CD2 3.66Å; L424-L459 HydrophobicContact CD1-CD2 3.93Å; L424-L459 HydrophobicContact CD2-CD2 4.07Å; L424-L459 HydrophobicContact CG-CD2 4.09Å; L424-L462 HydrophobicContact CD1-CD1 4.14Å; L424-I487 HydrophobicContact CD1-CG2 3.9Å; L424-I487 WeakPolarHBondContact CD1-O 3.18Å; L424-I487 HydrophobicContact CG-CG2 3.93Å; L424-I487 VanDerWaalsContact CG-O 3.3Å; L424-I487 WeakPolarHBondContact CG-O 3.42Å; L424-L489 HydrophobicContact CD1-CD2 4.3Å; L424-L489 HydrophobicContact CD1-CG 4.43Å
425S85.4Confident86.8Confident4 Ų456.4 Ų56.43%0.02829%0.289CS..Hα-helixtrans-78.6-23.8177.3780000112.7A417 Y420 S422 V427 W428 L429A417-S425 WeakPolarHBondContact CB-O 3.45Å; A417-S425 PolarHBondContact O-OG 3.41Å; Y420-S425 WeakPolarHBondContact O-CB 3.37Å; Y420-S425 PolarHBondContact O-OG 3.49Å; S422-S425 PolarHBondContact N-OG 3.37Å; S422-S425 VanDerWaalsContact N-OG 3.1Å; S422-S425 PolarHBondContact O-N 3.33Å; S422-S425 VanDerWaalsContact O-N 3.14Å; S422-S425 PolarHBondContact O-OG 2.94Å; S422-S425 PolarHBondContact OG-N 3.35Å; S422-S425 PolarHBondContact OG-OG 3.45Å; S425-V427 PolarHBondContact O-N 3.42Å; S425-W428 WeakPolarHBondContact O-CA 3.06Å; S425-W428 WeakPolarHBondContact O-CB 3.02Å; S425-W428 PolarHBondContact O-N 2.99Å; S425-W428 VanDerWaalsContact O-N 3.13Å; S425-L429 PolarHBondContact O-N 3.46Å
426F88.1Confident86.8Confident112 Ų11259.3 Ų59.349%0.49129%0.292SS..Hα-helixtrans-60.1-44.3172.1175.8-103.6000112.2S422 W423 W428 L429 V430S422-F426 PolarHBondContact O-N 3.37Å; W423-F426 HydrophobicContact CE3-CD1 4.43Å; W423-F426 HydrophobicContact CZ3-CD1 4.46Å; W423-F426 WeakPolarHBondContact O-CB 3.38Å; W423-F426 PolarHBondContact O-N 2.62Å; F426-W428 PolarHBondContact O-N 3.01Å; F426-L429 WeakPolarHBondContact O-CB 3.35Å; F426-L429 PolarHBondContact O-N 3.39Å; F426-L429 VanDerWaalsContact O-N 3.1Å; F426-V430 HydrophobicContact CD1-CG2 4.24Å; F426-V430 HydrophobicContact CE1-CG2 3.76Å; F426-V430 HydrophobicContact CE2-CG2 4.12Å; F426-V430 HydrophobicContact CZ-CG2 3.7Å; F426-V430 WeakPolarHBondContact O-CG2 3.46Å; F426-V430 PolarHBondContact O-N 2.9Å
427V88.9Confident87.1Confident63 Ų6366.8 Ų66.838%0.38233%0.33SS..Hα-helixtrans-57.4-39.8174.5178.10000110.9W423 S425 L429 V430 I431 Y455W423-V427 PolarHBondContact O-N 3.22Å; S425-V427 PolarHBondContact O-N 3.42Å; V427-L429 VanDerWaalsContact C-N 3.35Å; V427-L429 PolarHBondContact O-N 3.04Å; V427-V430 PolarHBondContact O-N 2.89Å; V427-I431 HydrophobicContact CG1-CD1 4.22Å; V427-I431 WeakPolarHBondContact O-CG1 3.49Å; V427-I431 PolarHBondContact O-N 3.33Å; V427-Y455 HydrophobicContact CB-CE1 4.11Å; V427-Y455 WeakPolarHBondContact CB-OH 3.33Å; V427-Y455 HydrophobicContact CG1-CE1 4.05Å; V427-Y455 HydrophobicContact CG1-CE2 4.45Å
428W85.7Confident87.4Confident1 Ų168.8 Ų68.80%0.00434%0.342CS..Hα-helixtrans-60.5-43.3176.7-160.5-77.3000112.4M413 S425 F426 I431 A432 I452 Y455 A456 L459 L510M413-W428 VanDerWaalsContact CA-NE1 3.28Å; M413-W428 HydrophobicContact CE-CD2 4.3Å; M413-W428 HydrophobicContact CE-CG 4.29Å; M413-W428 HydrophobicContact CE-CZ2 3.93Å; M413-W428 HydrophobicContact CG-CZ2 4.06Å; M413-W428 VanDerWaalsContact O-CD1 3.27Å; M413-W428 HydrophobicContact SD-CZ2 4.47Å; S425-W428 WeakPolarHBondContact O-CA 3.06Å; S425-W428 WeakPolarHBondContact O-CB 3.02Å; S425-W428 PolarHBondContact O-N 2.99Å; S425-W428 VanDerWaalsContact O-N 3.13Å; F426-W428 PolarHBondContact O-N 3.01Å; W428-I431 PolarHBondContact O-N 3.07Å; W428-A432 PolarHBondContact O-N 3.42Å; W428-A432 VanDerWaalsContact O-N 3.14Å; W428-I452 HydrophobicContact CH2-CG2 4.05Å; W428-I452 VanDerWaalsContact CH2-O 3.3Å; W428-I452 WeakPolarHBondContact CH2-O 3.16Å; W428-I452 HydrophobicContact CZ2-CG2 3.83Å; W428-Y455 HydrophobicContact CB-CE1 4.27Å; W428-Y455 HydrophobicContact CD2-CD1 4.22Å; W428-Y455 HydrophobicContact CD2-CE1 4.44Å; W428-Y455 AromaticContact CE3-CD1 3.2Å; W428-Y455 HydrophobicContact CE3-CD1 3.2Å; W428-Y455 AromaticContact CE3-CE1 3.54Å; W428-Y455 HydrophobicContact CE3-CE1 3.54Å; W428-Y455 HydrophobicContact CE3-CG 4.31Å; W428-Y455 AromaticContact CZ3-CD1 3.42Å; W428-Y455 HydrophobicContact CZ3-CD1 3.42Å; W428-Y455 VanDerWaalsContact CZ3-CD1 3.42Å; W428-Y455 HydrophobicContact CZ3-CE1 4.16Å; W428-Y455 HydrophobicContact CZ3-CG 4.15Å; W428-A456 VanDerWaalsContact CH2-CA 3.43Å; W428-A456 HydrophobicContact CH2-CB 3.28Å; W428-A456 HydrophobicContact CZ2-CB 4.34Å; W428-A456 HydrophobicContact CZ3-CB 3.79Å; W428-A456 VanDerWaalsContact CZ3-N 3.28Å; W428-L459 HydrophobicContact CD2-CD1 4.46Å; W428-L459 HydrophobicContact CE3-CD1 3.44Å; W428-L459 VanDerWaalsContact CE3-CD1 3.44Å; W428-L459 HydrophobicContact CE3-CG 4.44Å; W428-L459 HydrophobicContact CZ3-CD1 3.89Å; W428-L510 HydrophobicContact CH2-CD1 4.16Å; W428-L510 HydrophobicContact CZ2-CD1 3.58Å
429L89.1Confident87.6Confident51 Ų5173.1 Ų73.127%0.26735%0.352SS..Hα-helixtrans-66.1-42.4177.2-171.5141.8000111.7A417 S425 F426 V427 I431 A432 C433A417-L429 HydrophobicContact CB-CB 3.7Å; A417-L429 HydrophobicContact CB-CD1 3.89Å; A417-L429 HydrophobicContact CB-CG 4.36Å; S425-L429 PolarHBondContact O-N 3.46Å; F426-L429 WeakPolarHBondContact O-CB 3.35Å; F426-L429 PolarHBondContact O-N 3.39Å; F426-L429 VanDerWaalsContact O-N 3.1Å; V427-L429 VanDerWaalsContact C-N 3.35Å; V427-L429 PolarHBondContact O-N 3.04Å; L429-I431 VanDerWaalsContact C-N 3.34Å; L429-I431 PolarHBondContact O-N 3.14Å; L429-A432 PolarHBondContact O-N 3.38Å; L429-C433 PolarHBondContact O-N 3.07Å; L429-C433 PolarHBondContact O-SG 3.42Å; L429-C433 VanDerWaalsContact O-SG 3.35Å
430V91.7Very high87.8Confident54 Ų5472.6 Ų72.633%0.32735%0.35SS..Hα-helixtrans-59.8-44.8176.71720000111F426 V427 A432 C433 I434F426-V430 HydrophobicContact CD1-CG2 4.24Å; F426-V430 HydrophobicContact CE1-CG2 3.76Å; F426-V430 HydrophobicContact CE2-CG2 4.12Å; F426-V430 HydrophobicContact CZ-CG2 3.7Å; F426-V430 WeakPolarHBondContact O-CG2 3.46Å; F426-V430 PolarHBondContact O-N 2.9Å; V427-V430 PolarHBondContact O-N 2.89Å; V430-A432 VanDerWaalsContact C-N 3.35Å; V430-A432 PolarHBondContact O-N 3.45Å; V430-C433 PolarHBondContact O-N 3.47Å; V430-I434 HydrophobicContact CG1-CD1 3.74Å; V430-I434 HydrophobicContact CG1-CG1 4.37Å; V430-I434 VanDerWaalsContact O-CG1 3.27Å; V430-I434 WeakPolarHBondContact O-CG1 3.35Å; V430-I434 PolarHBondContact O-N 3Å
431I89.3Confident88.4Confident24 Ų2471.7 Ų71.712%0.12335%0.35CS..Hα-helixtrans-60.1-46176.2-65.2165.7000110.6M413 V427 W428 L429 C433 I434 V435 L451 I452M413-I431 HydrophobicContact CE-CG2 4.34Å; V427-I431 HydrophobicContact CG1-CD1 4.22Å; V427-I431 WeakPolarHBondContact O-CG1 3.49Å; V427-I431 PolarHBondContact O-N 3.33Å; W428-I431 PolarHBondContact O-N 3.07Å; L429-I431 VanDerWaalsContact C-N 3.34Å; L429-I431 PolarHBondContact O-N 3.14Å; I431-C433 PolarHBondContact O-N 3.33Å; I431-I434 PolarHBondContact O-N 3.39Å; I431-V435 WeakPolarHBondContact O-CG2 3.18Å; I431-V435 PolarHBondContact O-N 3.09Å; I431-L451 HydrophobicContact CD1-CD2 4.02Å; I431-I452 HydrophobicContact CG2-CD1 4.11Å; I431-I452 HydrophobicContact CG2-CG1 3.81Å
432A90.2Very high88.7Confident0 Ų068.6 Ų68.60%033%0.331CS..Hα-helixtrans-59.4-45.3177.400000111.8L410 M413 M414 W428 L429 V430 I434 V435 W436L410-A432 HydrophobicContact CD2-CB 4.24Å; M413-A432 HydrophobicContact CB-CB 4.36Å; M413-A432 HydrophobicContact CE-CB 4.49Å; M414-A432 HydrophobicContact CG-CB 3.86Å; W428-A432 PolarHBondContact O-N 3.42Å; W428-A432 VanDerWaalsContact O-N 3.14Å; L429-A432 PolarHBondContact O-N 3.38Å; V430-A432 VanDerWaalsContact C-N 3.35Å; V430-A432 PolarHBondContact O-N 3.45Å; A432-I434 PolarHBondContact O-N 3.48Å; A432-V435 PolarHBondContact O-N 2.85Å; A432-W436 VanDerWaalsContact O-CD1 3.25Å; A432-W436 PolarHBondContact O-N 3.36Å; A432-W436 VanDerWaalsContact O-N 3.07Å
433C91.1Very high88.9Confident50 Ų5074.3 Ų74.334%0.33836%0.355SS..Hα-helixtrans-61.6-42.5176.6-69.80000112.6L429 V430 I431 V435 W436 M437L429-C433 PolarHBondContact O-N 3.07Å; L429-C433 PolarHBondContact O-SG 3.42Å; L429-C433 VanDerWaalsContact O-SG 3.35Å; V430-C433 PolarHBondContact O-N 3.47Å; I431-C433 PolarHBondContact O-N 3.33Å; C433-V435 VanDerWaalsContact C-N 3.32Å; C433-V435 PolarHBondContact O-N 3.16Å; C433-W436 PolarHBondContact O-N 3.35Å; C433-M437 WeakPolarHBondContact O-CG 3.44Å; C433-M437 PolarHBondContact O-N 3.22Å
434I91.5Very high89.3Confident77 Ų7767 Ų6740%0.39533%0.331SS..Hα-helixtrans-60.2-43.2176.6-69.9165.9000110.6V430 I431 A432 W436 M437 C438V430-I434 HydrophobicContact CG1-CD1 3.74Å; V430-I434 HydrophobicContact CG1-CG1 4.37Å; V430-I434 VanDerWaalsContact O-CG1 3.27Å; V430-I434 WeakPolarHBondContact O-CG1 3.35Å; V430-I434 PolarHBondContact O-N 3Å; I431-I434 PolarHBondContact O-N 3.39Å; A432-I434 PolarHBondContact O-N 3.48Å; I434-W436 VanDerWaalsContact C-N 3.32Å; I434-W436 PolarHBondContact O-N 3.46Å; I434-M437 PolarHBondContact O-N 3.32Å; I434-C438 PolarHBondContact O-N 3.29Å; I434-C438 PolarHBondContact O-SG 3.19Å
435V91.5Very high89.5Confident0 Ų065.4 Ų65.40%032%0.322CS..Hα-helixtrans-63.6-38.6177.7175.90000111.5L410 I431 A432 C433 C438 S441 A444 F445 F448L410-V435 HydrophobicContact CD1-CG1 3.75Å; L410-V435 HydrophobicContact CD2-CB 3.99Å; L410-V435 HydrophobicContact CD2-CG1 3.91Å; L410-V435 HydrophobicContact CG-CG1 4.42Å; I431-V435 WeakPolarHBondContact O-CG2 3.18Å; I431-V435 PolarHBondContact O-N 3.09Å; A432-V435 PolarHBondContact O-N 2.85Å; C433-V435 VanDerWaalsContact C-N 3.32Å; C433-V435 PolarHBondContact O-N 3.16Å; V435-C438 PolarHBondContact O-N 2.9Å; V435-S441 WeakPolarHBondContact O-CB 3.24Å; V435-A444 HydrophobicContact CG1-CB 4.4Å; V435-F445 HydrophobicContact CG1-CB 3.93Å; V435-F445 HydrophobicContact CG1-CD2 4.46Å; V435-F448 HydrophobicContact CG2-CB 4.36Å; V435-F448 HydrophobicContact CG2-CD2 3.89Å; V435-F448 HydrophobicContact CG2-CG 4.31Å
436W89.7Confident89.6Confident127 Ų12770.6 Ų70.648%0.48134%0.342SS..Hα-helixtrans-67.7-32.1175.7-86.6101.4000113.8T407 A432 C433 I434 C438T407-W436 HydrophobicContact CG2-CH2 4.09Å; T407-W436 HydrophobicContact CG2-CZ2 4.05Å; A432-W436 VanDerWaalsContact O-CD1 3.25Å; A432-W436 PolarHBondContact O-N 3.36Å; A432-W436 VanDerWaalsContact O-N 3.07Å; C433-W436 PolarHBondContact O-N 3.35Å; I434-W436 VanDerWaalsContact C-N 3.32Å; I434-W436 PolarHBondContact O-N 3.46Å; W436-C438 VanDerWaalsContact C-N 3.3Å; W436-C438 PolarHBondContact O-N 2.82Å
437M92Very high89.7Confident166 Ų16675.6 Ų75.682%0.81836%0.358SS*.Hα-helixtrans-75.5-16.7177.9-72.1177.967.300113.6C433 I434C433-M437 WeakPolarHBondContact O-CG 3.44Å; C433-M437 PolarHBondContact O-N 3.22Å; I434-M437 PolarHBondContact O-N 3.32Å
438C91Very high89.7Confident48 Ų4876.1 Ų76.132%0.32436%0.355SS..SBendtrans-71.2134177.9-68.10000110.8I434 V435 W436 D440 S441 A444I434-C438 PolarHBondContact O-N 3.29Å; I434-C438 PolarHBondContact O-SG 3.19Å; V435-C438 PolarHBondContact O-N 2.9Å; W436-C438 VanDerWaalsContact C-N 3.3Å; W436-C438 PolarHBondContact O-N 2.82Å; C438-D440 PolarHBondContact O-N 3.27Å; C438-S441 PolarHBondContact O-N 2.84Å; C438-A444 HydrophobicContact CB-CB 3.69Å
439K89.3Confident89.8Confident202 Ų20277.6 Ų77.688%0.87837%0.365SS*.THydrogen-bonded Turntrans-51.7-44177.9-177.1178.9175.4178.30112.4
440D88.6Confident89.8Confident101 Ų10179.3 Ų79.354%0.5438%0.379SS..THydrogen-bonded Turntrans-106.569.6175-65.2-47000110.6C438 R442 Q443 A444C438-D440 PolarHBondContact O-N 3.27Å; D440-R442 PolarHBondContact O-N 3.34Å; D440-R442 VanDerWaalsContact O-N 3.12Å; D440-Q443 HydrophobicContact CB-CB 4.21Å; D440-Q443 PolarHBondContact O-N 3.28Å; D440-A444 PolarHBondContact O-N 2.98Å
441S88.1Confident89.6Confident21 Ų2181 Ų8115%0.14739%0.386CS..Hα-helixtrans-52.8-35.2-176.258.90000113.7V435 C438 F445V435-S441 WeakPolarHBondContact O-CB 3.24Å; C438-S441 PolarHBondContact O-N 2.84Å; S441-F445 WeakPolarHBondContact O-CB 3.48Å; S441-F445 PolarHBondContact O-N 3.28Å
442R88.6Confident89.6Confident112 Ų11280 Ų8042%0.42338%0.381SS..Hα-helixtrans-63.5-47.3175.7-176.6177.2178.1-157-2.9112.6Y406 D440 F445 Y446Y406-R442 HydrophobicContact CD1-CB 4.19Å; Y406-R442 HydrophobicContact CD1-CG 3.95Å; Y406-R442 HydrophobicContact CD2-CB 4.45Å; Y406-R442 HydrophobicContact CE1-CB 3.94Å; Y406-R442 HydrophobicContact CE1-CG 4.08Å; Y406-R442 HydrophobicContact CE2-CB 4.22Å; Y406-R442 HydrophobicContact CG-CB 4.44Å; Y406-R442 HydrophobicContact CG-CG 4.35Å; D440-R442 PolarHBondContact O-N 3.34Å; D440-R442 VanDerWaalsContact O-N 3.12Å; R442-F445 PolarHBondContact O-N 3.29Å; R442-Y446 HydrophobicContact CG-CD2 4.15Å; R442-Y446 HydrophobicContact CG-CE2 3.53Å; R442-Y446 PolarHBondContact NE-OH 3.24Å; R442-Y446 PolarHBondContact NH2-OH 3.18Å; R442-Y446 WeakPolarHBondContact O-CD2 3.37Å; R442-Y446 PolarHBondContact O-N 3Å
443Q88.6Confident89.5Confident139 Ų13981.1 Ų81.165%0.6539%0.387SS*.Hα-helixtrans-71.1-37.5179.6-172.1175.710.600111D440 Y446 R447D440-Q443 HydrophobicContact CB-CB 4.21Å; D440-Q443 PolarHBondContact O-N 3.28Å; Q443-Y446 PolarHBondContact O-N 2.92Å; Q443-R447 PolarHBondContact O-N 2.91Å; Q443-R447 VanDerWaalsContact O-N 3.08Å
444A91Very high89.4Confident14 Ų1485.2 Ų85.212%0.11640%0.399CS..Hα-helixtrans-58.2-48.8171.800000110.8V435 C438 D440 Y446 R447 F448V435-A444 HydrophobicContact CG1-CB 4.4Å; C438-A444 HydrophobicContact CB-CB 3.69Å; D440-A444 PolarHBondContact O-N 2.98Å; A444-Y446 PolarHBondContact O-N 3.44Å; A444-R447 WeakPolarHBondContact O-CB 3.19Å; A444-R447 PolarHBondContact O-N 3.46Å; A444-F448 HydrophobicContact CB-CD2 4.42Å; A444-F448 WeakPolarHBondContact O-CD2 3.47Å; A444-F448 PolarHBondContact O-N 3.14Å
445F90.7Very high89.4Confident7 Ų783.6 Ų83.63%0.03139%0.388CS..Hα-helixtrans-55.5-47.8177.7-178.4-97.1000112.2Y406 L410 M413 V435 S441 R442 R447 F448 S449 I452Y406-F445 HydrophobicContact CD2-CB 4.34Å; L410-F445 HydrophobicContact CD1-CD2 4.35Å; L410-F445 HydrophobicContact CD2-CD2 3.93Å; L410-F445 HydrophobicContact CD2-CE2 4.25Å; L410-F445 HydrophobicContact CG-CD2 3.89Å; L410-F445 HydrophobicContact CG-CE2 4.17Å; M413-F445 HydrophobicContact SD-CE2 4.47Å; V435-F445 HydrophobicContact CG1-CB 3.93Å; V435-F445 HydrophobicContact CG1-CD2 4.46Å; S441-F445 WeakPolarHBondContact O-CB 3.48Å; S441-F445 PolarHBondContact O-N 3.28Å; R442-F445 PolarHBondContact O-N 3.29Å; F445-R447 VanDerWaalsContact C-N 3.27Å; F445-R447 PolarHBondContact O-N 3.21Å; F445-F448 CarbonylContact O-C 3.5Å; F445-F448 PolarHBondContact O-N 3.35Å; F445-S449 WeakPolarHBondContact O-CA 3.27Å; F445-S449 WeakPolarHBondContact O-CB 3.38Å; F445-S449 PolarHBondContact O-N 3.27Å; F445-I452 HydrophobicContact CD2-CD1 4.29Å; F445-I452 HydrophobicContact CE2-CD1 4.19Å
446Y87.5Confident89.3Confident114 Ų11483.6 Ų83.645%0.44739%0.388SS..Hα-helixtrans-63.7-32.3177.7-65.2-49.2000113.3R442 Q443 A444R442-Y446 HydrophobicContact CG-CD2 4.15Å; R442-Y446 HydrophobicContact CG-CE2 3.53Å; R442-Y446 PolarHBondContact NE-OH 3.24Å; R442-Y446 PolarHBondContact NH2-OH 3.18Å; R442-Y446 WeakPolarHBondContact O-CD2 3.37Å; R442-Y446 PolarHBondContact O-N 3Å; Q443-Y446 PolarHBondContact O-N 2.92Å; A444-Y446 PolarHBondContact O-N 3.44Å
447R89.5Confident89.3Confident217 Ų21779.3 Ų79.382%0.81937%0.374SS*.Hα-helixtrans-72.4-36.8175.7-167.8175.2-174.3163.41.5112.4Q443 A444 F445Q443-R447 PolarHBondContact O-N 2.91Å; Q443-R447 VanDerWaalsContact O-N 3.08Å; A444-R447 WeakPolarHBondContact O-CB 3.19Å; A444-R447 PolarHBondContact O-N 3.46Å; F445-R447 VanDerWaalsContact C-N 3.27Å; F445-R447 PolarHBondContact O-N 3.21Å
448F89.4Confident89.2Confident73 Ų7374.1 Ų74.132%0.3235%0.351SS..Hα-helixtrans-84-18.2177.6-76.3-73.3000113.6V435 A444 F445 L451 I452V435-F448 HydrophobicContact CG2-CB 4.36Å; V435-F448 HydrophobicContact CG2-CD2 3.89Å; V435-F448 HydrophobicContact CG2-CG 4.31Å; A444-F448 HydrophobicContact CB-CD2 4.42Å; A444-F448 WeakPolarHBondContact O-CD2 3.47Å; A444-F448 PolarHBondContact O-N 3.14Å; F445-F448 CarbonylContact O-C 3.5Å; F445-F448 PolarHBondContact O-N 3.35Å; F448-L451 WeakPolarHBondContact O-CA 3.43Å; F448-L451 WeakPolarHBondContact O-CB 3.39Å; F448-L451 PolarHBondContact O-N 3.1Å; F448-I452 HydrophobicContact CB-CD1 3.88Å; F448-I452 HydrophobicContact CB-CG1 4.3Å; F448-I452 WeakPolarHBondContact O-CG1 3.18Å; F448-I452 PolarHBondContact O-N 3.05Å
449S88.7Confident89.1Confident33 Ų3372 Ų7223%0.23134%0.337CS..Hα-helixtrans-45.4-50.8-177.8173.80000114.5F445 L451 I452 L453F445-S449 WeakPolarHBondContact O-CA 3.27Å; F445-S449 WeakPolarHBondContact O-CB 3.38Å; F445-S449 PolarHBondContact O-N 3.27Å; S449-L451 VanDerWaalsContact C-N 3.3Å; S449-L451 PolarHBondContact O-N 3.47Å; S449-I452 PolarHBondContact O-N 3.19Å; S449-L453 WeakPolarHBondContact O-CB 3.48Å; S449-L453 PolarHBondContact O-N 3.24Å
450P87.3Confident89.1Confident86 Ų8662.4 Ų62.456%0.55830%0.295SS*.Hα-helixtrans-64.2-33.517924.5-34.7000113.2F454P450-F454 WeakPolarHBondContact O-CB 3.47Å; P450-F454 PolarHBondContact O-N 3.1Å
451L88.7Confident89.1Confident91 Ų9159 Ų5948%0.47628%0.281SS..Hα-helixtrans-73.8-39.3177.6-177.6142.4000111.5I431 F448 S449 Y455I431-L451 HydrophobicContact CD1-CD2 4.02Å; F448-L451 WeakPolarHBondContact O-CA 3.43Å; F448-L451 WeakPolarHBondContact O-CB 3.39Å; F448-L451 PolarHBondContact O-N 3.1Å; S449-L451 VanDerWaalsContact C-N 3.3Å; S449-L451 PolarHBondContact O-N 3.47Å; L451-Y455 WeakPolarHBondContact O-CB 3.46Å; L451-Y455 PolarHBondContact O-N 3.16Å
452I88.7Confident89Confident3 Ų360.7 Ų60.72%0.01529%0.288CS..Hα-helixtrans-60.6-48.1173.6-68.6166.3000109.7M413 W428 I431 F445 F448 S449 Y455 A456 L510M413-I452 HydrophobicContact CE-CB 4.43Å; M413-I452 HydrophobicContact CE-CD1 4.01Å; M413-I452 HydrophobicContact CE-CG1 3.95Å; M413-I452 HydrophobicContact CE-CG2 3.63Å; M413-I452 HydrophobicContact SD-CD1 4.04Å; M413-I452 HydrophobicContact SD-CG1 4.48Å; M413-I452 HydrophobicContact SD-CG2 3.73Å; W428-I452 HydrophobicContact CH2-CG2 4.05Å; W428-I452 VanDerWaalsContact CH2-O 3.3Å; W428-I452 WeakPolarHBondContact CH2-O 3.16Å; W428-I452 HydrophobicContact CZ2-CG2 3.83Å; I431-I452 HydrophobicContact CG2-CD1 4.11Å; I431-I452 HydrophobicContact CG2-CG1 3.81Å; F445-I452 HydrophobicContact CD2-CD1 4.29Å; F445-I452 HydrophobicContact CE2-CD1 4.19Å; F448-I452 HydrophobicContact CB-CD1 3.88Å; F448-I452 HydrophobicContact CB-CG1 4.3Å; F448-I452 WeakPolarHBondContact O-CG1 3.18Å; F448-I452 PolarHBondContact O-N 3.05Å; S449-I452 PolarHBondContact O-N 3.19Å; I452-Y455 PolarHBondContact O-N 3.48Å; I452-A456 PolarHBondContact O-N 3.34Å; I452-L510 HydrophobicContact CG2-CD1 4.27Å
453L88.9Confident88.8Confident22 Ų2256.3 Ų56.312%0.11527%0.272CS..Hα-helixtrans-62.3-48.2179.8-178.263.1000111.7T222 S449 Y455 A456 E457 V507T222-L453 HydrophobicContact CG2-CD2 4.26Å; S449-L453 WeakPolarHBondContact O-CB 3.48Å; S449-L453 PolarHBondContact O-N 3.24Å; L453-Y455 VanDerWaalsContact C-N 3.32Å; L453-Y455 PolarHBondContact O-N 3.43Å; L453-A456 WeakPolarHBondContact O-CA 3.48Å; L453-A456 WeakPolarHBondContact O-CB 3.24Å; L453-A456 PolarHBondContact O-N 3.48Å; L453-E457 PolarHBondContact O-N 3.09Å; L453-V507 HydrophobicContact CD1-CG1 4.06Å
454F89.4Confident88.8Confident137 Ų13750 Ų5060%0.60124%0.243SC*.Hα-helixtrans-58.8-44.3177.3179.1-101.3000111.9P450 A456 E457 V458P450-F454 WeakPolarHBondContact O-CB 3.47Å; P450-F454 PolarHBondContact O-N 3.1Å; F454-A456 VanDerWaalsContact C-N 3.26Å; F454-A456 PolarHBondContact O-N 3.19Å; F454-E457 PolarHBondContact O-N 3.42Å; F454-V458 HydrophobicContact CD1-CG2 4.44Å; F454-V458 HydrophobicContact CE1-CG2 4.03Å; F454-V458 HydrophobicContact CZ-CG2 4.08Å; F454-V458 WeakPolarHBondContact O-CG2 3.22Å; F454-V458 PolarHBondContact O-N 3.26Å; F454-V458 VanDerWaalsContact O-N 3.09Å
455Y90.6Very high88.5Confident42 Ų4253.3 Ų53.317%0.16526%0.258CS..Hα-helixtrans-62.7-36.3175.5-168.9-119.2000111.3L424 V427 W428 L451 I452 L453 V458 L459L424-Y455 WeakPolarHBondContact CA-OH 3.43Å; L424-Y455 PolarHBondContact O-OH 3.24Å; V427-Y455 HydrophobicContact CB-CE1 4.11Å; V427-Y455 WeakPolarHBondContact CB-OH 3.33Å; V427-Y455 HydrophobicContact CG1-CE1 4.05Å; V427-Y455 HydrophobicContact CG1-CE2 4.45Å; W428-Y455 HydrophobicContact CB-CE1 4.27Å; W428-Y455 HydrophobicContact CD2-CD1 4.22Å; W428-Y455 HydrophobicContact CD2-CE1 4.44Å; W428-Y455 AromaticContact CE3-CD1 3.2Å; W428-Y455 HydrophobicContact CE3-CD1 3.2Å; W428-Y455 AromaticContact CE3-CE1 3.54Å; W428-Y455 HydrophobicContact CE3-CE1 3.54Å; W428-Y455 HydrophobicContact CE3-CG 4.31Å; W428-Y455 AromaticContact CZ3-CD1 3.42Å; W428-Y455 HydrophobicContact CZ3-CD1 3.42Å; W428-Y455 VanDerWaalsContact CZ3-CD1 3.42Å; W428-Y455 HydrophobicContact CZ3-CE1 4.16Å; W428-Y455 HydrophobicContact CZ3-CG 4.15Å; L451-Y455 WeakPolarHBondContact O-CB 3.46Å; L451-Y455 PolarHBondContact O-N 3.16Å; I452-Y455 PolarHBondContact O-N 3.48Å; L453-Y455 VanDerWaalsContact C-N 3.32Å; L453-Y455 PolarHBondContact O-N 3.43Å; Y455-V458 PolarHBondContact O-N 3.21Å; Y455-L459 HydrophobicContact CD1-CD1 4.27Å; Y455-L459 HydrophobicContact CD1-CG 4.46Å; Y455-L459 HydrophobicContact CE1-CD1 3.8Å; Y455-L459 HydrophobicContact CE1-CD2 4.38Å; Y455-L459 HydrophobicContact CE1-CG 4.13Å; Y455-L459 HydrophobicContact CE2-CD2 4.34Å; Y455-L459 WeakPolarHBondContact O-CG 3.5Å; Y455-L459 PolarHBondContact O-N 2.95Å
456A88.9Confident88Confident0 Ų054.5 Ų54.50%026%0.262CS..Hα-helixtrans-59.5-4917600000111.4W428 I452 L453 F454 V458 L459 L460 V507W428-A456 VanDerWaalsContact CH2-CA 3.43Å; W428-A456 HydrophobicContact CH2-CB 3.28Å; W428-A456 HydrophobicContact CZ2-CB 4.34Å; W428-A456 HydrophobicContact CZ3-CB 3.79Å; W428-A456 VanDerWaalsContact CZ3-N 3.28Å; I452-A456 PolarHBondContact O-N 3.34Å; L453-A456 WeakPolarHBondContact O-CA 3.48Å; L453-A456 WeakPolarHBondContact O-CB 3.24Å; L453-A456 PolarHBondContact O-N 3.48Å; F454-A456 VanDerWaalsContact C-N 3.26Å; F454-A456 PolarHBondContact O-N 3.19Å; A456-V458 VanDerWaalsContact C-N 3.32Å; A456-V458 PolarHBondContact O-N 3.3Å; A456-L459 PolarHBondContact O-N 2.87Å; A456-L460 WeakPolarHBondContact O-CB 3.23Å; A456-L460 WeakPolarHBondContact O-CG 3.37Å; A456-L460 PolarHBondContact O-N 3.29Å; A456-V507 HydrophobicContact CB-CB 4.36Å; A456-V507 HydrophobicContact CB-CG1 3.7Å; A456-V507 HydrophobicContact CB-CG2 3.67Å
457E90.2Very high87.7Confident38 Ų3851 Ų5118%0.17825%0.248CC..Hα-helixtrans-61.4-42.3-179.5-70.5173.7-169.800111.2T222 L453 F454 L459 L460 A461T222-E457 WeakPolarHBondContact CB-OE1 3.48Å; T222-E457 WeakPolarHBondContact CG2-OE1 3.28Å; T222-E457 PolarHBondContact OG1-OE1 3.4Å; L453-E457 PolarHBondContact O-N 3.09Å; F454-E457 PolarHBondContact O-N 3.42Å; E457-L459 PolarHBondContact O-N 2.89Å; E457-L460 PolarHBondContact O-N 3.03Å; E457-A461 WeakPolarHBondContact O-CB 3.11Å; E457-A461 PolarHBondContact O-N 3.05Å
458V89.8Confident87.4Confident56 Ų5641.7 Ų41.734%0.33922%0.215SC..Hα-helixtrans-61.6-44.6175173.60000111.1F454 Y455 A456 L460 A461 L462F454-V458 HydrophobicContact CD1-CG2 4.44Å; F454-V458 HydrophobicContact CE1-CG2 4.03Å; F454-V458 HydrophobicContact CZ-CG2 4.08Å; F454-V458 WeakPolarHBondContact O-CG2 3.22Å; F454-V458 PolarHBondContact O-N 3.26Å; F454-V458 VanDerWaalsContact O-N 3.09Å; Y455-V458 PolarHBondContact O-N 3.21Å; A456-V458 VanDerWaalsContact C-N 3.32Å; A456-V458 PolarHBondContact O-N 3.3Å; V458-L460 PolarHBondContact O-N 3.24Å; V458-A461 PolarHBondContact O-N 3.3Å; V458-L462 HydrophobicContact CG1-CD1 4.01Å; V458-L462 HydrophobicContact CG1-CG 4.49Å; V458-L462 WeakPolarHBondContact O-CB 3.2Å; V458-L462 WeakPolarHBondContact O-CG 3.32Å; V458-L462 PolarHBondContact O-N 3.15Å
459L88.4Confident86.7Confident4 Ų441.5 Ų41.52%0.02122%0.215CC..Hα-helixtrans-64.4-39.6177-68.7-168.3000112.7L424 W428 Y455 A456 E457 Q463L424-L459 HydrophobicContact CB-CD2 3.66Å; L424-L459 HydrophobicContact CD1-CD2 3.93Å; L424-L459 HydrophobicContact CD2-CD2 4.07Å; L424-L459 HydrophobicContact CG-CD2 4.09Å; W428-L459 HydrophobicContact CD2-CD1 4.46Å; W428-L459 HydrophobicContact CE3-CD1 3.44Å; W428-L459 VanDerWaalsContact CE3-CD1 3.44Å; W428-L459 HydrophobicContact CE3-CG 4.44Å; W428-L459 HydrophobicContact CZ3-CD1 3.89Å; Y455-L459 HydrophobicContact CD1-CD1 4.27Å; Y455-L459 HydrophobicContact CD1-CG 4.46Å; Y455-L459 HydrophobicContact CE1-CD1 3.8Å; Y455-L459 HydrophobicContact CE1-CD2 4.38Å; Y455-L459 HydrophobicContact CE1-CG 4.13Å; Y455-L459 HydrophobicContact CE2-CD2 4.34Å; Y455-L459 WeakPolarHBondContact O-CG 3.5Å; Y455-L459 PolarHBondContact O-N 2.95Å; A456-L459 PolarHBondContact O-N 2.87Å; E457-L459 PolarHBondContact O-N 2.89Å; L459-Q463 WeakPolarHBondContact O-CB 2.95Å; L459-Q463 WeakPolarHBondContact O-CG 3.42Å; L459-Q463 PolarHBondContact O-N 2.9Å; L459-Q463 VanDerWaalsContact O-N 3.09Å; L459-Q463 PolarHBondContact O-NE2 3.15Å
460L88.8Confident86Confident0 Ų041 Ų410%021%0.21CC..Hα-helixtrans-65.9-43.5176.3-72.6177.1000111F214 L218 W416 A456 E457 V458 Q463 F464 L500 K503 V504 V507F214-L460 HydrophobicContact CZ-CB 4.04Å; L218-L460 HydrophobicContact CD2-CD1 4.01Å; W416-L460 HydrophobicContact CH2-CD2 4.01Å; A456-L460 WeakPolarHBondContact O-CB 3.23Å; A456-L460 WeakPolarHBondContact O-CG 3.37Å; A456-L460 PolarHBondContact O-N 3.29Å; E457-L460 PolarHBondContact O-N 3.03Å; V458-L460 PolarHBondContact O-N 3.24Å; L460-Q463 PolarHBondContact O-N 2.87Å; L460-F464 WeakPolarHBondContact O-CB 3.36Å; L460-F464 PolarHBondContact O-N 3.45Å; L460-L500 HydrophobicContact CD2-CD1 4.02Å; L460-K503 HydrophobicContact CD2-CB 3.9Å; L460-V504 HydrophobicContact CD1-CG2 4.09Å; L460-V504 HydrophobicContact CD2-CG2 3.75Å; L460-V507 HydrophobicContact CD1-CB 4.08Å; L460-V507 HydrophobicContact CD1-CG1 4.26Å; L460-V507 HydrophobicContact CD1-CG2 3.69Å; L460-V507 HydrophobicContact CG-CG2 4.18Å
461A89.3Confident85.3Confident30 Ų3039.5 Ų39.525%0.24820%0.199CC..Hα-helixtrans-63.7-45.9178.200000112.2F214 E457 V458 Q463 F464 I465F214-A461 HydrophobicContact CE1-CB 4.35Å; E457-A461 WeakPolarHBondContact O-CB 3.11Å; E457-A461 PolarHBondContact O-N 3.05Å; V458-A461 PolarHBondContact O-N 3.3Å; A461-Q463 VanDerWaalsContact C-N 3.32Å; A461-Q463 PolarHBondContact O-N 2.95Å; A461-F464 WeakPolarHBondContact O-CB 3.27Å; A461-F464 PolarHBondContact O-N 2.63Å; A461-I465 WeakPolarHBondContact O-CG1 3.45Å; A461-I465 PolarHBondContact O-N 3.12Å
462L86Confident84.3Confident56 Ų5639.2 Ų39.229%0.29320%0.195SC..Hα-helixtrans-59-44.6175.4-75.7170.3000111.5L424 V458 I465 Y466 L489L424-L462 HydrophobicContact CD1-CD1 4.14Å; V458-L462 HydrophobicContact CG1-CD1 4.01Å; V458-L462 HydrophobicContact CG1-CG 4.49Å; V458-L462 WeakPolarHBondContact O-CB 3.2Å; V458-L462 WeakPolarHBondContact O-CG 3.32Å; V458-L462 PolarHBondContact O-N 3.15Å; L462-I465 PolarHBondContact O-N 3.28Å; L462-Y466 WeakPolarHBondContact O-CD2 3.3Å; L462-Y466 PolarHBondContact O-N 3.2Å; L462-Y466 VanDerWaalsContact O-N 3.08Å; L462-L489 HydrophobicContact CB-CD2 4.08Å
463Q84.8Confident83.3Confident20 Ų2045 Ų459%0.09323%0.23CC..Hα-helixtrans-68.8-34177.9-71.1171.640.100113.1L459 L460 A461 I465 R467 L500L459-Q463 WeakPolarHBondContact O-CB 2.95Å; L459-Q463 WeakPolarHBondContact O-CG 3.42Å; L459-Q463 PolarHBondContact O-N 2.9Å; L459-Q463 VanDerWaalsContact O-N 3.09Å; L459-Q463 PolarHBondContact O-NE2 3.15Å; L460-Q463 PolarHBondContact O-N 2.87Å; A461-Q463 VanDerWaalsContact C-N 3.32Å; A461-Q463 PolarHBondContact O-N 2.95Å; Q463-I465 VanDerWaalsContact C-N 3.33Å; Q463-R467 WeakPolarHBondContact O-CB 3.47Å; Q463-R467 WeakPolarHBondContact O-CG 3.37Å; Q463-R467 PolarHBondContact O-N 3.28Å; Q463-R467 VanDerWaalsContact O-N 3.16Å; Q463-L500 HydrophobicContact CB-CD1 4.3Å
464F87.7Confident82.6Confident6 Ų647.3 Ų47.33%0.02624%0.241CC..Hα-helixtrans-61-45.8174.3-177.1-83000110.5A202 P206 T210 V211 F214 L460 A461 R467 L468 L500A202-F464 VanDerWaalsContact O-CE2 3.29Å; A202-F464 WeakPolarHBondContact O-CE2 3.32Å; P206-F464 HydrophobicContact CB-CD2 4.18Å; P206-F464 HydrophobicContact CB-CE1 4.29Å; P206-F464 HydrophobicContact CB-CE2 3.83Å; P206-F464 HydrophobicContact CB-CZ 3.9Å; T210-F464 WeakPolarHBondContact OG1-CZ 3.45Å; V211-F464 HydrophobicContact CB-CE1 4.48Å; V211-F464 HydrophobicContact CG2-CE1 3.58Å; V211-F464 HydrophobicContact CG2-CZ 4.2Å; F214-F464 HydrophobicContact CB-CD2 4.17Å; F214-F464 HydrophobicContact CB-CE2 3.87Å; F214-F464 HydrophobicContact CB-CZ 4.22Å; F214-F464 HydrophobicContact CD1-CB 4.32Å; F214-F464 HydrophobicContact CD1-CD1 4.37Å; F214-F464 HydrophobicContact CD1-CD2 4.06Å; F214-F464 AromaticContact CD1-CG 3.97Å; F214-F464 HydrophobicContact CD1-CG 3.97Å; F214-F464 AromaticContact CD2-CD2 3.6Å; F214-F464 HydrophobicContact CD2-CD2 3.6Å; F214-F464 HydrophobicContact CD2-CE2 4.05Å; F214-F464 HydrophobicContact CD2-CG 4.26Å; F214-F464 HydrophobicContact CE1-CB 3.89Å; F214-F464 HydrophobicContact CE1-CD2 4.35Å; F214-F464 HydrophobicContact CE1-CG 4.05Å; F214-F464 HydrophobicContact CE2-CB 4.24Å; F214-F464 AromaticContact CE2-CD2 3.93Å; F214-F464 HydrophobicContact CE2-CD2 3.93Å; F214-F464 HydrophobicContact CE2-CG 4.33Å; F214-F464 AromaticContact CG-CD2 3.66Å; F214-F464 HydrophobicContact CG-CD2 3.66Å; F214-F464 AromaticContact CG-CE2 3.9Å; F214-F464 HydrophobicContact CG-CE2 3.9Å; F214-F464 HydrophobicContact CG-CG 4.07Å; F214-F464 HydrophobicContact CG-CZ 4.49Å; F214-F464 HydrophobicContact CZ-CB 3.83Å; F214-F464 HydrophobicContact CZ-CD2 4.28Å; F214-F464 HydrophobicContact CZ-CG 4.22Å; L460-F464 WeakPolarHBondContact O-CB 3.36Å; L460-F464 PolarHBondContact O-N 3.45Å; A461-F464 WeakPolarHBondContact O-CB 3.27Å; A461-F464 PolarHBondContact O-N 2.63Å; F464-R467 PolarHBondContact O-N 3.2Å; F464-L468 HydrophobicContact CE1-CD2 4.44Å; F464-L468 PolarHBondContact O-N 3.18Å; F464-L500 HydrophobicContact CD2-CD2 4.26Å
465I86.1Confident81.7Confident85 Ų8542.8 Ų42.844%0.43622%0.222SC..Hα-helixtrans-61.8-47.8178.6-65.8164.6000111.2A461 L462 Q463 R467 L468A461-I465 WeakPolarHBondContact O-CG1 3.45Å; A461-I465 PolarHBondContact O-N 3.12Å; L462-I465 PolarHBondContact O-N 3.28Å; Q463-I465 VanDerWaalsContact C-N 3.33Å; I465-R467 PolarHBondContact O-N 2.7Å; I465-L468 VanDerWaalsContact O-CB 3.31Å; I465-L468 WeakPolarHBondContact O-CB 3.5Å; I465-L468 WeakPolarHBondContact O-CG 3.49Å; I465-L468 PolarHBondContact O-N 2.62Å; I465-L468 VanDerWaalsContact O-N 3.11Å
466Y80.1Confident80.7Confident32 Ų3243.4 Ų43.413%0.12523%0.231CC..Hα-helixtrans-68.5-13.2179.8-89.9-95.3000114.4L462 L475 L484 L489L462-Y466 WeakPolarHBondContact O-CD2 3.3Å; L462-Y466 PolarHBondContact O-N 3.2Å; L462-Y466 VanDerWaalsContact O-N 3.08Å; Y466-L475 HydrophobicContact CD1-CD2 3.79Å; Y466-L475 HydrophobicContact CD1-CG 4.43Å; Y466-L475 HydrophobicContact CE1-CD1 4.45Å; Y466-L475 HydrophobicContact CE1-CD2 4Å; Y466-L475 HydrophobicContact CE1-CG 4.19Å; Y466-L475 HydrophobicContact CG-CD2 4.16Å; Y466-L484 HydrophobicContact CE1-CD1 4.32Å; Y466-L484 WeakPolarHBondContact OH-CD1 3.45Å; Y466-L484 WeakPolarHBondContact OH-CD2 3.4Å; Y466-L489 HydrophobicContact CD1-CB 3.62Å; Y466-L489 HydrophobicContact CD2-CB 3.92Å; Y466-L489 HydrophobicContact CD2-CD1 4.1Å; Y466-L489 HydrophobicContact CD2-CD2 3.65Å; Y466-L489 HydrophobicContact CD2-CG 4.06Å; Y466-L489 HydrophobicContact CE1-CB 3.51Å; Y466-L489 HydrophobicContact CE1-CD1 4.44Å; Y466-L489 HydrophobicContact CE1-CG 4.46Å; Y466-L489 HydrophobicContact CE2-CB 3.83Å; Y466-L489 HydrophobicContact CE2-CD1 3.46Å; Y466-L489 VanDerWaalsContact CE2-CD1 3.46Å; Y466-L489 HydrophobicContact CE2-CD2 3.92Å; Y466-L489 HydrophobicContact CE2-CG 3.9Å; Y466-L489 HydrophobicContact CG-CB 3.8Å; Y466-L489 HydrophobicContact CG-CD2 4.09Å; Y466-L489 HydrophobicContact CG-CG 4.4Å
467R80.1Confident79.6Confident40 Ų4045.1 Ų45.115%0.15124%0.241CC..THydrogen-bonded Turntrans-91.8-7.5174.3-70.3178.4-165.9-65.811.9113.5P206 Q463 F464 I465 E469 S492 A496 H499P206-R467 HydrophobicContact CB-CB 4.14Å; P206-R467 HydrophobicContact CG-CB 3.48Å; P206-R467 VanDerWaalsContact CG-CB 3.48Å; P206-R467 VanDerWaalsContact CG-O 3.32Å; P206-R467 WeakPolarHBondContact CG-O 3.35Å; Q463-R467 WeakPolarHBondContact O-CB 3.47Å; Q463-R467 WeakPolarHBondContact O-CG 3.37Å; Q463-R467 PolarHBondContact O-N 3.28Å; Q463-R467 VanDerWaalsContact O-N 3.16Å; F464-R467 PolarHBondContact O-N 3.2Å; I465-R467 PolarHBondContact O-N 2.7Å; R467-E469 PolarHBondContact O-N 3.47Å; R467-S492 PolarHBondContact NH1-OG 3.13Å; R467-A496 HydrophobicContact CG-CB 4.45Å; R467-A496 PolarHBondContact NE-O 3.29Å; R467-A496 PolarHBondContact NH1-O 3.45Å; R467-A496 PolarHBondContact NH2-O 3.48Å; R467-H499 VanDerWaalsContact NH2-CB 3.34Å
468L83Confident78.4Confident22 Ų2250.5 Ų50.512%0.11527%0.266CS..SBendtrans-54.7139.2169.7-67.1170.4000109P206 L274 F464 I465 L470P206-L468 HydrophobicContact CB-CD2 4.37Å; L274-L468 HydrophobicContact CD1-CD1 4.46Å; F464-L468 HydrophobicContact CE1-CD2 4.44Å; F464-L468 PolarHBondContact O-N 3.18Å; I465-L468 VanDerWaalsContact O-CB 3.31Å; I465-L468 WeakPolarHBondContact O-CB 3.5Å; I465-L468 WeakPolarHBondContact O-CG 3.49Å; I465-L468 PolarHBondContact O-N 2.62Å; I465-L468 VanDerWaalsContact O-N 3.11Å; L468-L470 HydrophobicContact CB-CD1 3.9Å; L468-L470 HydrophobicContact CB-CG 4.09Å; L468-L470 HydrophobicContact CD1-CD1 4.37Å; L468-L470 PolarHBondContact O-N 3.31Å
469E75.8Confident77.3Confident68 Ų6851 Ų5132%0.31827%0.269SS..  trans-7755.7-174.6-162.4-178.1166.500112.5R273 K278 R467R273-E469 WeakPolarHBondContact CB-O 3.35Å; R273-E469 PolarHBondContact NH1-O 3.08Å; K278-E469 WeakPolarHBondContact CE-OE2 3.37Å; K278-E469 IonicContact NZ-OE1 3.9Å; K278-E469 PolarHBondContact NZ-OE1 3.11Å; K278-E469 IonicContact NZ-OE2 2.72Å; K278-E469 PolarHBondContact NZ-OE2 3.18Å; R467-E469 PolarHBondContact O-N 3.47Å
470L73.6Confident76.3Confident24 Ų2457.3 Ų57.313%0.12631%0.31CS..  trans-88.4144.9177.6-66.3164.4000109.5F270 L274 L468 E474 L475 K491F270-L470 HydrophobicContact CD2-CD2 4.12Å; F270-L470 HydrophobicContact CE2-CD2 3.42Å; F270-L470 VanDerWaalsContact CE2-CD2 3.42Å; F270-L470 HydrophobicContact CZ-CD2 4.33Å; L274-L470 HydrophobicContact CD1-CD2 4.29Å; L468-L470 HydrophobicContact CB-CD1 3.9Å; L468-L470 HydrophobicContact CB-CG 4.09Å; L468-L470 HydrophobicContact CD1-CD1 4.37Å; L468-L470 PolarHBondContact O-N 3.31Å; L470-E474 WeakPolarHBondContact CA-OE2 2.86Å; L470-E474 HydrophobicContact CB-CB 4.22Å; L470-E474 HydrophobicContact CD2-CB 4.28Å; L470-E474 WeakPolarHBondContact CD2-OE2 3.45Å; L470-L475 HydrophobicContact CB-CB 4.16Å; L470-L475 HydrophobicContact CD1-CB 4.33Å; L470-L475 HydrophobicContact CD1-CD2 4.38Å; L470-K491 VanDerWaalsContact O-CE 3.26Å; L470-K491 WeakPolarHBondContact O-CE 3.31Å; L470-K491 PolarHBondContact O-NZ 3.46Å
471T71.8Confident75.4Confident54 Ų5463.2 Ų63.233%0.33135%0.346SS..  trans-75.4159.7177.2-57.20000110.3R273 T473 E474 L475R273-T471 VanDerWaalsContact NH1-N 3.11Å; R273-T471 PolarHBondContact NH1-OG1 2.77Å; R273-T471 PolarHBondContact NH2-OG1 2.78Å; T471-T473 PolarHBondContact O-N 3.1Å; T471-E474 PolarHBondContact N-OE2 2Å; T471-E474 WeakPolarHBondContact O-CB 3.36Å; T471-E474 PolarHBondContact O-N 2.97Å; T471-L475 PolarHBondContact O-N 3.32Å
472E68Low74.4Confident85 Ų8565 Ų6540%0.39735%0.354SS..THydrogen-bonded Turntrans-53.4-25.8174.6-57.1-50.3124.800113.4E474 L475 P476 K491E472-E474 VanDerWaalsContact C-N 3.32Å; E472-L475 CarbonylContact O-C 3.52Å; E472-P476 VanDerWaalsContact O-CA 3.24Å; E472-P476 WeakPolarHBondContact O-CA 3.2Å; E472-K491 WeakPolarHBondContact OE1-CD 3.49Å; E472-K491 IonicContact OE1-NZ 2.72Å; E472-K491 PolarHBondContact OE1-NZ 3.49Å
473T67.8Low73.7Confident123 Ų12364.6 Ų64.676%0.75536%0.355SS*.THydrogen-bonded Turntrans-72.1-25.1175.252.50000113.5T471T471-T473 PolarHBondContact O-N 3.1Å
474E73.7Confident73Confident72 Ų7264.7 Ų64.734%0.33636%0.356SS..THydrogen-bonded Turntrans-98.9-35.3-176.2-65.2158.1-176.800111.1F270 R273 L470 T471 E472F270-E474 HydrophobicContact CD2-CG 4.2Å; F270-E474 WeakPolarHBondContact CD2-OE1 3.31Å; F270-E474 WeakPolarHBondContact CD2-OE2 3.41Å; F270-E474 HydrophobicContact CE2-CG 4.22Å; R273-E474 IonicContact CZ-OE2 3.27Å; R273-E474 IonicContact NH1-OE2 2.98Å; R273-E474 IonicContact NH2-OE1 2.86Å; R273-E474 PolarHBondContact NH2-OE1 3.13Å; R273-E474 IonicContact NH2-OE2 3.73Å; R273-E474 PolarHBondContact NH2-OE2 2.78Å; L470-E474 WeakPolarHBondContact CA-OE2 2.86Å; L470-E474 HydrophobicContact CB-CB 4.22Å; L470-E474 HydrophobicContact CD2-CB 4.28Å; L470-E474 WeakPolarHBondContact CD2-OE2 3.45Å; T471-E474 PolarHBondContact N-OE2 2Å; T471-E474 WeakPolarHBondContact O-CB 3.36Å; T471-E474 PolarHBondContact O-N 2.97Å; E472-E474 VanDerWaalsContact C-N 3.32Å
475L71.5Confident72.2Confident41 Ų4171.3 Ų71.322%0.21538%0.384CS..SBendtrans-13694173.1-17065.9000108.4Y466 L470 T471 E472Y466-L475 HydrophobicContact CD1-CD2 3.79Å; Y466-L475 HydrophobicContact CD1-CG 4.43Å; Y466-L475 HydrophobicContact CE1-CD1 4.45Å; Y466-L475 HydrophobicContact CE1-CD2 4Å; Y466-L475 HydrophobicContact CE1-CG 4.19Å; Y466-L475 HydrophobicContact CG-CD2 4.16Å; L470-L475 HydrophobicContact CB-CB 4.16Å; L470-L475 HydrophobicContact CD1-CB 4.33Å; L470-L475 HydrophobicContact CD1-CD2 4.38Å; T471-L475 PolarHBondContact O-N 3.32Å; E472-L475 CarbonylContact O-C 3.52Å
476P69.2Low71.5Confident55 Ų5572.9 Ų72.936%0.35739%0.39SS..  trans-71.8135.4-177.827.7-32.9000110.4E472 E478 L484E472-P476 VanDerWaalsContact O-CA 3.24Å; E472-P476 WeakPolarHBondContact O-CA 3.2Å; P476-E478 PolarHBondContact O-N 3.44Å; P476-L484 WeakPolarHBondContact O-CD1 3.36Å
477D66Low71.2Confident36 Ų3673.4 Ų73.419%0.19340%0.395CS..SBendtrans-71.3-14.9170.1-84.1-12.4000112.7L484D477-L484 WeakPolarHBondContact O-CB 3.44Å; D477-L484 PolarHBondContact O-N 3.1Å; D477-L484 VanDerWaalsContact O-N 3.09Å
478E65.6Low70.6Confident152 Ų15272.8 Ų72.871%0.7140%0.401SS*.EExtended strand (participates in β ladder)trans-129.4109.5-178.8-60.4-169.817200110.4P476P476-E478 PolarHBondContact O-N 3.44Å
479V67.3Low69.9Low65 Ų6572.3 Ų72.339%0.39440%0.398SS..EExtended strand (participates in β ladder)trans-89.7138.3164.2-178.20000106.3T481 V482 L484V479-T481 PolarHBondContact O-N 2.96Å; V479-V482 CarbonylContact O-C 3.49Å; V479-V482 PolarHBondContact O-N 2.91Å; V479-L484 HydrophobicContact CG2-CD1 3.71Å; V479-L484 HydrophobicContact CG2-CG 4.2Å
480P65.6Low69.3Low138 Ų13871.2 Ų71.290%0.89640%0.401SS*.THydrogen-bonded Turntrans-54.7-14.6-174.716-30.9000115.3
481T70.1Confident68.9Low123 Ų12374 Ų7476%0.75541%0.412SS*.THydrogen-bonded Turntrans-100.2-30-179.7-26.40000113.6V479V479-T481 PolarHBondContact O-N 2.96Å
482V68.2Low68.1Low68 Ų6873.7 Ų73.741%0.41241%0.412SS..EExtended strand (participates in β ladder)trans-151.8124.4-177.3-172.90000110.2V479 L484 I487V479-V482 CarbonylContact O-C 3.49Å; V479-V482 PolarHBondContact O-N 2.91Å; V482-L484 PolarHBondContact O-N 2.61Å; V482-I487 HydrophobicContact CB-CD1 4.4Å; V482-I487 HydrophobicContact CG1-CD1 3.57Å; V482-I487 HydrophobicContact CG1-CG1 4.11Å
483P71.6Confident67.5Low47 Ų4774.6 Ų74.631%0.30543%0.428SS..EExtended strand (participates in β ladder)trans-67.7112.8172.527.1-33.2000110.1K485 Q486P483-K485 PolarHBondContact O-N 3.43Å; P483-Q486 HydrophobicContact CB-CG 4.33Å; P483-Q486 HydrophobicContact CG-CB 4.24Å; P483-Q486 VanDerWaalsContact CG-CD 3.44Å; P483-Q486 HydrophobicContact CG-CG 3.76Å; P483-Q486 WeakPolarHBondContact O-CB 3.44Å; P483-Q486 PolarHBondContact O-N 2.99Å
484L70.4Confident66.8Low22 Ų2275.6 Ų75.612%0.11542%0.424CS..Hα-helixtrans-63.5-26.1-177.6-68.3160.7000112Y466 P476 D477 V479 V482 Q486 I487 G488 L489Y466-L484 HydrophobicContact CE1-CD1 4.32Å; Y466-L484 WeakPolarHBondContact OH-CD1 3.45Å; Y466-L484 WeakPolarHBondContact OH-CD2 3.4Å; P476-L484 WeakPolarHBondContact O-CD1 3.36Å; D477-L484 WeakPolarHBondContact O-CB 3.44Å; D477-L484 PolarHBondContact O-N 3.1Å; D477-L484 VanDerWaalsContact O-N 3.09Å; V479-L484 HydrophobicContact CG2-CD1 3.71Å; V479-L484 HydrophobicContact CG2-CG 4.2Å; V482-L484 PolarHBondContact O-N 2.61Å; L484-Q486 PolarHBondContact O-N 3.48Å; L484-I487 HydrophobicContact CD2-CD1 3.91Å; L484-I487 WeakPolarHBondContact O-CA 3.22Å; L484-I487 WeakPolarHBondContact O-CB 2.93Å; L484-I487 PolarHBondContact O-N 3.05Å; L484-G488 PolarHBondContact O-N 3.14Å; L484-L489 CarbonylContact C-O 3.33Å; L484-L489 HydrophobicContact CB-CB 4.44Å; L484-L489 HydrophobicContact CD2-CD1 4.43Å; L484-L489 PolarHBondContact O-N 3.35Å; L484-L489 VanDerWaalsContact O-N 3.14Å
485K69.9Low66.1Low145 Ų14577.2 Ų77.263%0.6344%0.435SS*.Hα-helixtrans-53-39169.6-172172.9-177.3176.60113P483 G488 L489 A490P483-K485 PolarHBondContact O-N 3.43Å; K485-G488 PolarHBondContact O-N 3.32Å; K485-L489 PolarHBondContact N-O 3.27Å; K485-A490 HydrophobicContact CG-CB 4.09Å
486Q71.5Confident65.4Low119 Ų11976.1 Ų76.156%0.55643%0.432SS*.Hα-helixtrans-73.8-28.8177.6-67.9-176-2.100112.6W423 P483 L484 G488W423-Q486 PolarHBondContact N-O 3.29Å; P483-Q486 HydrophobicContact CB-CG 4.33Å; P483-Q486 HydrophobicContact CG-CB 4.24Å; P483-Q486 VanDerWaalsContact CG-CD 3.44Å; P483-Q486 HydrophobicContact CG-CG 3.76Å; P483-Q486 WeakPolarHBondContact O-CB 3.44Å; P483-Q486 PolarHBondContact O-N 2.99Å; L484-Q486 PolarHBondContact O-N 3.48Å; Q486-G488 PolarHBondContact O-N 2.72Å
487I75.4Confident65.2Low43 Ų4373.9 Ų73.922%0.22142%0.417CS..Hα-helixtrans-68.9-18.6174.3-64164000110.6S422 L424 V482 L484 L489S422-I487 VanDerWaalsContact CB-O 3.32Å; S422-I487 WeakPolarHBondContact CB-O 3.25Å; S422-I487 PolarHBondContact OG-O 2.72Å; L424-I487 HydrophobicContact CD1-CG2 3.9Å; L424-I487 WeakPolarHBondContact CD1-O 3.18Å; L424-I487 HydrophobicContact CG-CG2 3.93Å; L424-I487 VanDerWaalsContact CG-O 3.3Å; L424-I487 WeakPolarHBondContact CG-O 3.42Å; V482-I487 HydrophobicContact CB-CD1 4.4Å; V482-I487 HydrophobicContact CG1-CD1 3.57Å; V482-I487 HydrophobicContact CG1-CG1 4.11Å; L484-I487 HydrophobicContact CD2-CD1 3.91Å; L484-I487 WeakPolarHBondContact O-CA 3.22Å; L484-I487 WeakPolarHBondContact O-CB 2.93Å; L484-I487 PolarHBondContact O-N 3.05Å; I487-L489 HydrophobicContact CB-CD1 4.49Å; I487-L489 HydrophobicContact CG2-CD1 3.85Å; I487-L489 HydrophobicContact CG2-CG 4.21Å
488G67.7Low65.5Low27 Ų2775.9 Ų75.928%0.27843%0.43SS..THydrogen-bonded Turntrans100.914.7179.600000113.6L484 K485 Q486L484-G488 PolarHBondContact O-N 3.14Å; K485-G488 PolarHBondContact O-N 3.32Å; Q486-G488 PolarHBondContact O-N 2.72Å
489L68.5Low65.7Low12 Ų1271.7 Ų71.76%0.06341%0.411CS..  trans-107.686.6180-56.8169.4000105.4L424 L462 Y466 L484 K485 I487L424-L489 HydrophobicContact CD1-CD2 4.3Å; L424-L489 HydrophobicContact CD1-CG 4.43Å; L462-L489 HydrophobicContact CB-CD2 4.08Å; Y466-L489 HydrophobicContact CD1-CB 3.62Å; Y466-L489 HydrophobicContact CD2-CB 3.92Å; Y466-L489 HydrophobicContact CD2-CD1 4.1Å; Y466-L489 HydrophobicContact CD2-CD2 3.65Å; Y466-L489 HydrophobicContact CD2-CG 4.06Å; Y466-L489 HydrophobicContact CE1-CB 3.51Å; Y466-L489 HydrophobicContact CE1-CD1 4.44Å; Y466-L489 HydrophobicContact CE1-CG 4.46Å; Y466-L489 HydrophobicContact CE2-CB 3.83Å; Y466-L489 HydrophobicContact CE2-CD1 3.46Å; Y466-L489 VanDerWaalsContact CE2-CD1 3.46Å; Y466-L489 HydrophobicContact CE2-CD2 3.92Å; Y466-L489 HydrophobicContact CE2-CG 3.9Å; Y466-L489 HydrophobicContact CG-CB 3.8Å; Y466-L489 HydrophobicContact CG-CD2 4.09Å; Y466-L489 HydrophobicContact CG-CG 4.4Å; L484-L489 CarbonylContact C-O 3.33Å; L484-L489 HydrophobicContact CB-CB 4.44Å; L484-L489 HydrophobicContact CD2-CD1 4.43Å; L484-L489 PolarHBondContact O-N 3.35Å; L484-L489 VanDerWaalsContact O-N 3.14Å; K485-L489 PolarHBondContact N-O 3.27Å; I487-L489 HydrophobicContact CB-CD1 4.49Å; I487-L489 HydrophobicContact CG2-CD1 3.85Å; I487-L489 HydrophobicContact CG2-CG 4.21Å
490A62.9Low65.9Low45 Ų4568.6 Ų68.637%0.37239%0.392SS..  trans-127.6133.7-178.100000109.2K485 S492K485-A490 HydrophobicContact CG-CB 4.09Å; A490-S492 PolarHBondContact O-N 3.2Å
491K63.7Low66.3Low82 Ų8264.9 Ų64.936%0.35736%0.364SS..  trans-79.988179.6-167.6173.2163.2-160.90110.5L470 E472 S493L470-K491 VanDerWaalsContact O-CE 3.26Å; L470-K491 WeakPolarHBondContact O-CE 3.31Å; L470-K491 PolarHBondContact O-NZ 3.46Å; E472-K491 WeakPolarHBondContact OE1-CD 3.49Å; E472-K491 IonicContact OE1-NZ 2.72Å; E472-K491 PolarHBondContact OE1-NZ 3.49Å; K491-S493 PolarHBondContact O-N 2.63Å
492S56.1Low66.6Low48 Ų4862.3 Ų62.334%0.33635%0.348SS..  trans-78112.5176.363.90000110.6R467 A490 A496R467-S492 PolarHBondContact NH1-OG 3.13Å; A490-S492 PolarHBondContact O-N 3.2Å; S492-A496 WeakPolarHBondContact O-CB 3.46Å
493S54.6Low67Low104 Ų10459.7 Ų59.773%0.72733%0.331SS*.THydrogen-bonded Turntrans-68.5132.5173.150.70000111.4K491 D495K491-S493 PolarHBondContact O-N 2.63Å; S493-D495 PolarHBondContact O-N 3.12Å; S493-D495 VanDerWaalsContact O-N 3.13Å
494Q53.2Low67.1Low144 Ų14457.6 Ų57.667%0.67332%0.317SS*.THydrogen-bonded Turntrans71.9-44.1175.5-85.5162.2-27.700119.6A496Q494-A496 PolarHBondContact O-N 3.13Å
495D58.4Low67.3Low106 Ų10658 Ų5857%0.56733%0.327SS*.THydrogen-bonded Turntrans-83.4-0.3-178.4-66.1-31000113.9S493 V497 V498 H499S493-D495 PolarHBondContact O-N 3.12Å; S493-D495 VanDerWaalsContact O-N 3.13Å; D495-V497 VanDerWaalsContact C-N 3.34Å; D495-V497 PolarHBondContact O-N 3.27Å; D495-V498 PolarHBondContact O-N 3.35Å; D495-H499 PolarHBondContact O-CD2 3.21Å; D495-H499 PolarHBondContact O-N 3.26Å
496A58.5Low67.6Low18 Ų1852.3 Ų52.315%0.14931%0.305CS..Hα-helixtrans-55.4-42.5-17100000114.7R467 S492 Q494 H499 L500R467-A496 HydrophobicContact CG-CB 4.45Å; R467-A496 PolarHBondContact NE-O 3.29Å; R467-A496 PolarHBondContact NH1-O 3.45Å; R467-A496 PolarHBondContact NH2-O 3.48Å; S492-A496 WeakPolarHBondContact O-CB 3.46Å; Q494-A496 PolarHBondContact O-N 3.13Å; A496-H499 PolarHBondContact O-N 3.14Å; A496-L500 PolarHBondContact O-N 3.01Å
497V65.2Low67.7Low8 Ų847.2 Ų47.25%0.04828%0.282CS..Hα-helixtrans-69.1-43.3-174.9179.80000110.9I204 W299 D495 H499 L500 L501I204-V497 HydrophobicContact CD1-CG1 3.9Å; I204-V497 WeakPolarHBondContact O-CG2 3.18Å; W299-V497 HydrophobicContact CH2-CB 4.47Å; W299-V497 HydrophobicContact CH2-CG1 4.18Å; W299-V497 HydrophobicContact CZ2-CB 4.25Å; W299-V497 HydrophobicContact CZ2-CG1 4.45Å; D495-V497 VanDerWaalsContact C-N 3.34Å; D495-V497 PolarHBondContact O-N 3.27Å; V497-H499 VanDerWaalsContact C-N 3.27Å; V497-H499 PolarHBondContact O-N 2.9Å; V497-L500 PolarHBondContact O-N 2.98Å; V497-L501 HydrophobicContact CG1-CD1 3.88Å; V497-L501 HydrophobicContact CG1-CG 4.22Å; V497-L501 WeakPolarHBondContact O-CB 3.37Å; V497-L501 WeakPolarHBondContact O-CG 3.13Å; V497-L501 PolarHBondContact O-N 2.97Å
498V70.4Confident67.4Low77 Ų7747.8 Ų47.847%0.46729%0.29SS..Hα-helixtrans-60.8-43.9178.1-179.10000109.4W299 D495 L500 L501 V502W299-V498 HydrophobicContact CZ2-CG2 4.46Å; D495-V498 PolarHBondContact O-N 3.35Å; V498-L500 PolarHBondContact O-N 3.49Å; V498-L501 PolarHBondContact O-N 2.81Å; V498-V502 HydrophobicContact CG1-CG2 4.3Å; V498-V502 WeakPolarHBondContact O-CB 3.24Å; V498-V502 WeakPolarHBondContact O-CG2 3.35Å; V498-V502 PolarHBondContact O-N 3.42Å
499H71.3Confident67.3Low65 Ų6552.3 Ų52.330%0.30130%0.302SS..Hα-helixtrans-62.2-41.5176.6-71.3-59.8000113.3Y420 R467 D495 A496 V497 K503Y420-H499 HydrophobicContact CE1-CB 4.1Å; Y420-H499 AromaticContact CE1-CE1 3.96Å; Y420-H499 AromaticContact CE1-CG 3.86Å; Y420-H499 AromaticContact CE1-ND1 3.27Å; Y420-H499 VanDerWaalsContact CE1-ND1 3.27Å; Y420-H499 WeakPolarHBondContact CE1-ND1 3.49Å; Y420-H499 AromaticContact CZ-ND1 3.5Å; Y420-H499 PolarHBondContact OH-ND1 3.16Å; R467-H499 VanDerWaalsContact NH2-CB 3.34Å; D495-H499 PolarHBondContact O-CD2 3.21Å; D495-H499 PolarHBondContact O-N 3.26Å; A496-H499 PolarHBondContact O-N 3.14Å; V497-H499 VanDerWaalsContact C-N 3.27Å; V497-H499 PolarHBondContact O-N 2.9Å; H499-K503 WeakPolarHBondContact O-CB 3.43Å; H499-K503 WeakPolarHBondContact O-CG 3.39Å; H499-K503 PolarHBondContact O-N 3.26Å; H499-K503 VanDerWaalsContact O-N 3.08Å
500L71Confident66.9Low0 Ų053.6 Ų53.60%031%0.309CS..Hα-helixtrans-71-39.7177.9-168.657.9000111.7V203 L460 Q463 F464 A496 V497 V498 K503 V504V203-L500 HydrophobicContact CB-CD2 4.36Å; V203-L500 HydrophobicContact CB-CG 4.47Å; V203-L500 HydrophobicContact CG1-CB 3.61Å; V203-L500 HydrophobicContact CG1-CD2 3.66Å; V203-L500 HydrophobicContact CG1-CG 3.5Å; V203-L500 HydrophobicContact CG2-CD2 4.36Å; V203-L500 HydrophobicContact CG2-CG 4.3Å; L460-L500 HydrophobicContact CD2-CD1 4.02Å; Q463-L500 HydrophobicContact CB-CD1 4.3Å; F464-L500 HydrophobicContact CD2-CD2 4.26Å; A496-L500 PolarHBondContact O-N 3.01Å; V497-L500 PolarHBondContact O-N 2.98Å; V498-L500 PolarHBondContact O-N 3.49Å; L500-K503 PolarHBondContact O-N 2.64Å; L500-V504 HydrophobicContact CD1-CG2 4.48Å; L500-V504 HydrophobicContact CG-CG2 4.5Å; L500-V504 WeakPolarHBondContact O-CG2 3.26Å; L500-V504 PolarHBondContact O-N 3.25Å
501L73.3Confident67.1Low60 Ų6054.1 Ų54.131%0.31431%0.306SS..Hα-helixtrans-61.7-44.8174.8-75.9173.3000111.7V203 V497 V498 K503 V504 G505V203-L501 HydrophobicContact CB-CD2 3.94Å; V203-L501 HydrophobicContact CB-CG 4.5Å; V203-L501 HydrophobicContact CG1-CD2 3.69Å; V203-L501 HydrophobicContact CG1-CG 3.73Å; V497-L501 HydrophobicContact CG1-CD1 3.88Å; V497-L501 HydrophobicContact CG1-CG 4.22Å; V497-L501 WeakPolarHBondContact O-CB 3.37Å; V497-L501 WeakPolarHBondContact O-CG 3.13Å; V497-L501 PolarHBondContact O-N 2.97Å; V498-L501 PolarHBondContact O-N 2.81Å; L501-K503 VanDerWaalsContact C-N 3.28Å; L501-K503 PolarHBondContact O-N 3.31Å; L501-V504 PolarHBondContact O-N 3.06Å; L501-G505 PolarHBondContact O-N 2.86Å
502V76.3Confident67.3Low69 Ų6952.6 Ų52.642%0.41830%0.303SS..Hα-helixtrans-61-40.6176.1169.40000110.7V498 S506V498-V502 HydrophobicContact CG1-CG2 4.3Å; V498-V502 WeakPolarHBondContact O-CB 3.24Å; V498-V502 WeakPolarHBondContact O-CG2 3.35Å; V498-V502 PolarHBondContact O-N 3.42Å; V502-S506 WeakPolarHBondContact O-CB 3.4Å; V502-S506 PolarHBondContact O-N 2.99Å; V502-S506 PolarHBondContact O-OG 2.84Å
503K77.5Confident67.9Low13 Ų1352.8 Ų52.86%0.05730%0.301CS..Hα-helixtrans-67.5-48.2177.6-77.3178.6178.7-1770112.4W416 Y420 L460 H499 L500 L501 G505 S506 V507W416-K503 HydrophobicContact CD2-CG 4.11Å; W416-K503 HydrophobicContact CE3-CB 4.43Å; W416-K503 HydrophobicContact CE3-CG 4.18Å; W416-K503 HydrophobicContact CH2-CB 3.38Å; W416-K503 HydrophobicContact CH2-CD 4.05Å; W416-K503 HydrophobicContact CH2-CG 3.6Å; W416-K503 HydrophobicContact CZ2-CB 3.77Å; W416-K503 HydrophobicContact CZ2-CD 3.5Å; W416-K503 HydrophobicContact CZ2-CG 3.48Å; W416-K503 VanDerWaalsContact CZ2-CG 3.48Å; W416-K503 HydrophobicContact CZ3-CB 3.74Å; W416-K503 HydrophobicContact CZ3-CG 3.94Å; W416-K503 WeakPolarHBondContact CZ3-O 3.32Å; Y420-K503 HydrophobicContact CD2-CD 4.4Å; Y420-K503 HydrophobicContact CD2-CG 4.41Å; Y420-K503 HydrophobicContact CE2-CD 4.13Å; Y420-K503 HydrophobicContact CE2-CG 3.83Å; Y420-K503 VanDerWaalsContact CZ-CE 3.42Å; L460-K503 HydrophobicContact CD2-CB 3.9Å; H499-K503 WeakPolarHBondContact O-CB 3.43Å; H499-K503 WeakPolarHBondContact O-CG 3.39Å; H499-K503 PolarHBondContact O-N 3.26Å; H499-K503 VanDerWaalsContact O-N 3.08Å; L500-K503 PolarHBondContact O-N 2.64Å; L501-K503 VanDerWaalsContact C-N 3.28Å; L501-K503 PolarHBondContact O-N 3.31Å; K503-G505 VanDerWaalsContact C-N 3.31Å; K503-G505 PolarHBondContact O-N 3.39Å; K503-S506 WeakPolarHBondContact O-CA 3.39Å; K503-S506 WeakPolarHBondContact O-CB 3.47Å; K503-S506 PolarHBondContact O-N 3.07Å; K503-V507 WeakPolarHBondContact O-CG2 3.49Å; K503-V507 PolarHBondContact O-N 3.18Å
504V73.2Confident68.7Low2 Ų249.8 Ų49.81%0.01228%0.276CS..Hα-helixtrans-61.9-40.7176175.80000111.2C199 V203 F217 L460 L500 L501 S506 V507 S508C199-V504 WeakPolarHBondContact SG-CG1 3.4Å; V203-V504 HydrophobicContact CG2-CG2 3.87Å; F217-V504 HydrophobicContact CE1-CG1 3.66Å; F217-V504 HydrophobicContact CZ-CG1 4.22Å; L460-V504 HydrophobicContact CD1-CG2 4.09Å; L460-V504 HydrophobicContact CD2-CG2 3.75Å; L500-V504 HydrophobicContact CD1-CG2 4.48Å; L500-V504 HydrophobicContact CG-CG2 4.5Å; L500-V504 WeakPolarHBondContact O-CG2 3.26Å; L500-V504 PolarHBondContact O-N 3.25Å; L501-V504 PolarHBondContact O-N 3.06Å; V504-S506 VanDerWaalsContact C-N 3.26Å; V504-S506 PolarHBondContact O-N 3.47Å; V504-V507 PolarHBondContact O-N 3.09Å; V504-S508 WeakPolarHBondContact O-CB 3.04Å; V504-S508 PolarHBondContact O-N 2.97Å; V504-S508 PolarHBondContact O-OG 3.2Å
505G74.7Confident69.7Low31 Ų3143.9 Ų43.932%0.3225%0.252SS..Hα-helixtrans-64.6-29.717400000113.4L501 K503 K509L501-G505 PolarHBondContact O-N 2.86Å; K503-G505 VanDerWaalsContact C-N 3.31Å; K503-G505 PolarHBondContact O-N 3.39Å; G505-K509 WeakPolarHBondContact O-CG 3.36Å
506S75.4Confident70.4Confident25 Ų2539.8 Ų39.818%0.17523%0.23CC..Hα-helixtrans-72.5-44173.3-610000111.3V502 K503 V504 S508 K509 L510V502-S506 WeakPolarHBondContact O-CB 3.4Å; V502-S506 PolarHBondContact O-N 2.99Å; V502-S506 PolarHBondContact O-OG 2.84Å; K503-S506 WeakPolarHBondContact O-CA 3.39Å; K503-S506 WeakPolarHBondContact O-CB 3.47Å; K503-S506 PolarHBondContact O-N 3.07Å; V504-S506 VanDerWaalsContact C-N 3.26Å; V504-S506 PolarHBondContact O-N 3.47Å; S506-S508 VanDerWaalsContact C-N 3.34Å; S506-K509 PolarHBondContact O-N 3.4Å; S506-L510 PolarHBondContact O-N 2.8Å
507V73.8Confident71.3Confident12 Ų1241.4 Ų41.47%0.07324%0.236CC..Hα-helixtrans-64.7-38.2176178.50000111.7W416 L453 A456 L460 K503 V504 K509 L510W416-V507 HydrophobicContact CH2-CG2 3.75Å; W416-V507 HydrophobicContact CZ3-CG2 3.56Å; L453-V507 HydrophobicContact CD1-CG1 4.06Å; A456-V507 HydrophobicContact CB-CB 4.36Å; A456-V507 HydrophobicContact CB-CG1 3.7Å; A456-V507 HydrophobicContact CB-CG2 3.67Å; L460-V507 HydrophobicContact CD1-CB 4.08Å; L460-V507 HydrophobicContact CD1-CG1 4.26Å; L460-V507 HydrophobicContact CD1-CG2 3.69Å; L460-V507 HydrophobicContact CG-CG2 4.18Å; K503-V507 WeakPolarHBondContact O-CG2 3.49Å; K503-V507 PolarHBondContact O-N 3.18Å; V504-V507 PolarHBondContact O-N 3.09Å; V507-K509 PolarHBondContact O-N 3.03Å; V507-K509 VanDerWaalsContact O-N 3.11Å; V507-L510 WeakPolarHBondContact O-CB 3.24Å; V507-L510 PolarHBondContact O-N 3.03Å
508S68.8Low71.8Confident55 Ų5543.9 Ų43.939%0.38525%0.251SS..THydrogen-bonded Turntrans-66.4-13178.3-55.40000113.4V504 S506V504-S508 WeakPolarHBondContact O-CB 3.04Å; V504-S508 PolarHBondContact O-N 2.97Å; V504-S508 PolarHBondContact O-OG 3.2Å; S506-S508 VanDerWaalsContact C-N 3.34Å
509K66.2Low71.9Confident122 Ų12241.2 Ų41.253%0.5323%0.233SC..THydrogen-bonded Turntrans-98.7-4.9173.7-69.3177.1-179.9-176.90113F405 S409 I412 G505 S506 V507F405-K509 WeakPolarHBondContact CE1-O 3.46Å; F405-K509 WeakPolarHBondContact CZ-O 3.17Å; S409-K509 PolarHBondContact OG-O 2.92Å; I412-K509 HydrophobicContact CD1-CB 3.98Å; I412-K509 HydrophobicContact CD1-CD 3.85Å; G505-K509 WeakPolarHBondContact O-CG 3.36Å; S506-K509 PolarHBondContact O-N 3.4Å; V507-K509 PolarHBondContact O-N 3.03Å; V507-K509 VanDerWaalsContact O-N 3.11Å
510L61Low71.9Confident40 Ų4039 Ų3921%0.20923%0.227CC..  trans-840171.6-60.9172.8000108.9M413 W428 I452 S506 V507M413-L510 HydrophobicContact CG-CD1 4.42Å; M413-L510 HydrophobicContact CG-CD2 3.58Å; M413-L510 HydrophobicContact SD-CD2 4.2Å; W428-L510 HydrophobicContact CH2-CD1 4.16Å; W428-L510 HydrophobicContact CZ2-CD1 3.58Å; I452-L510 HydrophobicContact CG2-CD1 4.27Å; S506-L510 PolarHBondContact O-N 2.8Å; V507-L510 WeakPolarHBondContact O-CB 3.24Å; V507-L510 PolarHBondContact O-N 3.03Å

Retrieved 510 of 510 residues in 309.8 ms (Link to these results)

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