A0A3Q0KVH1_SCHMA Loading...

NADH-ubiquinone oxidoreductase chain 4

AlphaFold DB , UniProt , Accession A0A3Q0KVH1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 418 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
1M53.7Low70.5Confident221 Ų221101.5 Ų101.5100%1.08952%0.517SS*.  0-48.70-130.3-179.7-86.300112.8A3 G4 F5M1-A3 PolarHBondContact O-N 2.96Å; M1-G4 PolarHBondContact O-N 3Å; M1-F5 PolarHBondContact O-N 3.26Å
2F59.7Low71.1Confident190 Ų19098.7 Ų98.783%0.83350%0.504SS*.Hα-helixtrans-63-35.3-178.4-73.5-78.9000116Y6F2-Y6 PolarHBondContact O-N 3.16Å; F2-Y6 VanDerWaalsContact O-N 3.15Å
3A67.7Low71.5Confident66 Ų6692.1 Ų92.155%0.54547%0.47SS..Hα-helixtrans-65-42.6178.200000112.4M1 F5 Y6 W7M1-A3 PolarHBondContact O-N 2.96Å; A3-F5 PolarHBondContact O-N 3.46Å; A3-Y6 WeakPolarHBondContact O-CB 3.49Å; A3-Y6 PolarHBondContact O-N 2.99Å; A3-W7 PolarHBondContact O-N 2.99Å; A3-W7 VanDerWaalsContact O-N 3.12Å
4G72.4Confident71.7Confident49 Ų4991 Ų9151%0.50546%0.458SS..Hα-helixtrans-63.4-41.8178.600000112.7M1 Y6 W7 F8M1-G4 PolarHBondContact O-N 3Å; G4-Y6 VanDerWaalsContact C-N 3.3Å; G4-Y6 PolarHBondContact O-N 3.49Å; G4-W7 PolarHBondContact O-N 3.42Å; G4-F8 WeakPolarHBondContact O-CB 3.32Å; G4-F8 PolarHBondContact O-N 2.82Å
5F75.2Confident72Confident124 Ų12489.3 Ų89.354%0.54446%0.458SS..Hα-helixtrans-60.7-40.6174.4-176.2-103.8000111.9M1 A3 F8 M9M1-F5 PolarHBondContact O-N 3.26Å; A3-F5 PolarHBondContact O-N 3.46Å; F5-F8 PolarHBondContact O-N 3.04Å; F5-M9 HydrophobicContact CD1-CG 4.12Å; F5-M9 HydrophobicContact CE1-CG 3.73Å; F5-M9 HydrophobicContact CE1-SD 4.43Å; F5-M9 HydrophobicContact CE2-CG 4.18Å; F5-M9 HydrophobicContact CE2-SD 4.22Å; F5-M9 HydrophobicContact CZ-CG 3.76Å; F5-M9 HydrophobicContact CZ-SD 3.89Å; F5-M9 WeakPolarHBondContact O-CB 3.31Å; F5-M9 VanDerWaalsContact O-CG 3.28Å; F5-M9 WeakPolarHBondContact O-CG 3.31Å; F5-M9 PolarHBondContact O-N 3.32Å
6Y71Confident72.2Confident47 Ų4790.4 Ų90.418%0.18446%0.464CS..Hα-helixtrans-63.7-44.6178.5-175.8-103.3000112.9F2 A3 G4 M9 K10 S70 M72F2-Y6 PolarHBondContact O-N 3.16Å; F2-Y6 VanDerWaalsContact O-N 3.15Å; A3-Y6 WeakPolarHBondContact O-CB 3.49Å; A3-Y6 PolarHBondContact O-N 2.99Å; G4-Y6 VanDerWaalsContact C-N 3.3Å; G4-Y6 PolarHBondContact O-N 3.49Å; Y6-M9 PolarHBondContact O-N 3.42Å; Y6-K10 HydrophobicContact CD1-CD 4.31Å; Y6-K10 HydrophobicContact CE1-CD 3.79Å; Y6-K10 HydrophobicContact CE1-CG 4.34Å; Y6-K10 VanDerWaalsContact CZ-CE 3.41Å; Y6-K10 PolarHBondContact O-N 3.32Å; Y6-K10 WeakPolarHBondContact OH-CE 3.22Å; Y6-S70 WeakPolarHBondContact OH-CA 3.17Å; Y6-S70 WeakPolarHBondContact OH-CB 3.36Å; Y6-S70 PolarHBondContact OH-O 3.1Å; Y6-M72 HydrophobicContact CD2-CE 3.38Å; Y6-M72 HydrophobicContact CD2-SD 4.05Å; Y6-M72 HydrophobicContact CE2-CE 3.76Å; Y6-M72 HydrophobicContact CE2-CG 4.33Å; Y6-M72 HydrophobicContact CE2-SD 3.76Å; Y6-M72 HydrophobicContact CG-CE 4.38Å
7W73.7Confident72.1Confident172 Ų17285.6 Ų85.665%0.65244%0.44SS*.Hα-helixtrans-66.3-39.4175.8-70.9111.1000112.5A3 G4 K10 G11A3-W7 PolarHBondContact O-N 2.99Å; A3-W7 VanDerWaalsContact O-N 3.12Å; G4-W7 PolarHBondContact O-N 3.42Å; W7-K10 HydrophobicContact CE3-CD 4.26Å; W7-K10 HydrophobicContact CZ3-CD 4.46Å; W7-K10 WeakPolarHBondContact O-CB 3.05Å; W7-K10 PolarHBondContact O-N 3.24Å; W7-G11 PolarHBondContact O-N 2.89Å
8F76.9Confident72.2Confident124 Ų12486.9 Ų86.954%0.54445%0.447SS..Hα-helixtrans-61.3-46.8174.8178.2-104.6000111.8G4 F5 K10 G11 L12G4-F8 WeakPolarHBondContact O-CB 3.32Å; G4-F8 PolarHBondContact O-N 2.82Å; F5-F8 PolarHBondContact O-N 3.04Å; F8-K10 PolarHBondContact O-N 3.27Å; F8-G11 PolarHBondContact O-N 3.28Å; F8-G11 VanDerWaalsContact O-N 3.15Å; F8-L12 HydrophobicContact CD1-CD1 3.88Å; F8-L12 HydrophobicContact CD1-CG 4.44Å; F8-L12 HydrophobicContact CE1-CD1 3.3Å; F8-L12 HydrophobicContact CE1-CG 4.04Å; F8-L12 HydrophobicContact CE2-CD1 4.45Å; F8-L12 HydrophobicContact CE2-CG 4.37Å; F8-L12 HydrophobicContact CZ-CD1 3.64Å; F8-L12 HydrophobicContact CZ-CD2 4.26Å; F8-L12 HydrophobicContact CZ-CG 3.99Å; F8-L12 PolarHBondContact O-N 2.93Å
9M74.9Confident72.3Confident62 Ų6284.5 Ų84.531%0.30545%0.446SS..Hα-helixtrans-60.9-43176.1-71.3-58.8-65.700111.9F5 Y6 G11 L12 I13 M72F5-M9 HydrophobicContact CD1-CG 4.12Å; F5-M9 HydrophobicContact CE1-CG 3.73Å; F5-M9 HydrophobicContact CE1-SD 4.43Å; F5-M9 HydrophobicContact CE2-CG 4.18Å; F5-M9 HydrophobicContact CE2-SD 4.22Å; F5-M9 HydrophobicContact CZ-CG 3.76Å; F5-M9 HydrophobicContact CZ-SD 3.89Å; F5-M9 WeakPolarHBondContact O-CB 3.31Å; F5-M9 VanDerWaalsContact O-CG 3.28Å; F5-M9 WeakPolarHBondContact O-CG 3.31Å; F5-M9 PolarHBondContact O-N 3.32Å; Y6-M9 PolarHBondContact O-N 3.42Å; M9-G11 PolarHBondContact O-N 3.27Å; M9-L12 PolarHBondContact O-N 3.25Å; M9-L12 HydrophobicContact SD-CD1 4.35Å; M9-I13 VanDerWaalsContact O-CD1 3.29Å; M9-I13 WeakPolarHBondContact O-CD1 3.43Å; M9-I13 WeakPolarHBondContact O-CG1 3.29Å; M9-I13 PolarHBondContact O-N 3.4Å; M9-M72 HydrophobicContact CB-CE 3.68Å; M9-M72 HydrophobicContact CG-CE 4.04Å
10K74.1Confident72.2Confident25 Ų2582.8 Ų82.811%0.10944%0.437CS..Hα-helixtrans-57.9-47172.2-82.1-174.7166.8-1770112.1Y6 W7 F8 L12 I13 Y14 Y75Y6-K10 HydrophobicContact CD1-CD 4.31Å; Y6-K10 HydrophobicContact CE1-CD 3.79Å; Y6-K10 HydrophobicContact CE1-CG 4.34Å; Y6-K10 VanDerWaalsContact CZ-CE 3.41Å; Y6-K10 PolarHBondContact O-N 3.32Å; Y6-K10 WeakPolarHBondContact OH-CE 3.22Å; W7-K10 HydrophobicContact CE3-CD 4.26Å; W7-K10 HydrophobicContact CZ3-CD 4.46Å; W7-K10 WeakPolarHBondContact O-CB 3.05Å; W7-K10 PolarHBondContact O-N 3.24Å; F8-K10 PolarHBondContact O-N 3.27Å; K10-L12 PolarHBondContact O-N 2.63Å; K10-I13 PolarHBondContact O-N 2.93Å; K10-I13 VanDerWaalsContact O-N 3.16Å; K10-Y14 HydrophobicContact CB-CD2 4.46Å; K10-Y14 HydrophobicContact CB-CE2 3.96Å; K10-Y14 WeakPolarHBondContact O-CD2 3.27Å; K10-Y14 PolarHBondContact O-N 2.87Å; K10-Y75 VanDerWaalsContact CE-OH 3.26Å; K10-Y75 WeakPolarHBondContact CE-OH 3.38Å; K10-Y75 HydrophobicContact CG-CE2 4.17Å
11G75.9Confident72.1Confident37 Ų3780.4 Ų80.438%0.38142%0.424SS..Hα-helixtrans-58.7-45.2178.500000112.5W7 F8 M9 I13 Y14 S15W7-G11 PolarHBondContact O-N 2.89Å; F8-G11 PolarHBondContact O-N 3.28Å; F8-G11 VanDerWaalsContact O-N 3.15Å; M9-G11 PolarHBondContact O-N 3.27Å; G11-I13 VanDerWaalsContact C-N 3.33Å; G11-I13 PolarHBondContact O-N 3.49Å; G11-Y14 PolarHBondContact O-N 2.94Å; G11-S15 PolarHBondContact O-N 2.98Å; G11-S15 PolarHBondContact O-OG 2.95Å
12L78.2Confident72.9Confident67 Ų6774 Ų7435%0.35140%0.397SS..Hα-helixtrans-61.2-40.5173.8-76177.9000112.4F8 M9 K10 S15 L16F8-L12 HydrophobicContact CD1-CD1 3.88Å; F8-L12 HydrophobicContact CD1-CG 4.44Å; F8-L12 HydrophobicContact CE1-CD1 3.3Å; F8-L12 HydrophobicContact CE1-CG 4.04Å; F8-L12 HydrophobicContact CE2-CD1 4.45Å; F8-L12 HydrophobicContact CE2-CG 4.37Å; F8-L12 HydrophobicContact CZ-CD1 3.64Å; F8-L12 HydrophobicContact CZ-CD2 4.26Å; F8-L12 HydrophobicContact CZ-CG 3.99Å; F8-L12 PolarHBondContact O-N 2.93Å; M9-L12 PolarHBondContact O-N 3.25Å; M9-L12 HydrophobicContact SD-CD1 4.35Å; K10-L12 PolarHBondContact O-N 2.63Å; L12-S15 PolarHBondContact O-N 3.48Å; L12-S15 PolarHBondContact O-OG 3.3Å; L12-L16 WeakPolarHBondContact O-CB 3.31Å; L12-L16 VanDerWaalsContact O-CG 3.23Å; L12-L16 WeakPolarHBondContact O-CG 3Å; L12-L16 PolarHBondContact O-N 2.94Å
13I75.4Confident73.3Confident13 Ų1367.8 Ų67.87%0.06737%0.368CS..Hα-helixtrans-64-46.1177.2-66.4157.3000109.9M9 K10 G11 S15 L16 L17 Y75 I79M9-I13 VanDerWaalsContact O-CD1 3.29Å; M9-I13 WeakPolarHBondContact O-CD1 3.43Å; M9-I13 WeakPolarHBondContact O-CG1 3.29Å; M9-I13 PolarHBondContact O-N 3.4Å; K10-I13 PolarHBondContact O-N 2.93Å; K10-I13 VanDerWaalsContact O-N 3.16Å; G11-I13 VanDerWaalsContact C-N 3.33Å; G11-I13 PolarHBondContact O-N 3.49Å; I13-S15 PolarHBondContact O-N 2.88Å; I13-L16 PolarHBondContact O-N 3.48Å; I13-L17 HydrophobicContact CG2-CD1 3.87Å; I13-L17 HydrophobicContact CG2-CG 4.25Å; I13-L17 WeakPolarHBondContact O-CB 3.14Å; I13-L17 WeakPolarHBondContact O-CG 3.37Å; I13-L17 PolarHBondContact O-N 3.23Å; I13-Y75 HydrophobicContact CD1-CD1 4Å; I13-Y75 HydrophobicContact CD1-CD2 4.06Å; I13-Y75 HydrophobicContact CD1-CG 3.65Å; I13-Y75 HydrophobicContact CG2-CD1 3.8Å; I13-Y75 HydrophobicContact CG2-CE1 4.36Å; I13-Y75 HydrophobicContact CG2-CG 4.47Å; I13-I79 HydrophobicContact CG1-CD1 4.31Å
14Y75.2Confident73.2Confident77 Ų7764.8 Ų64.830%0.30234%0.343SS..Hα-helixtrans-63.8-38.6177.9-61.9-53.4000113K10 G11 L17 L18 V62 V66 Y75K10-Y14 HydrophobicContact CB-CD2 4.46Å; K10-Y14 HydrophobicContact CB-CE2 3.96Å; K10-Y14 WeakPolarHBondContact O-CD2 3.27Å; K10-Y14 PolarHBondContact O-N 2.87Å; G11-Y14 PolarHBondContact O-N 2.94Å; Y14-L17 HydrophobicContact CD1-CD1 4.23Å; Y14-L17 PolarHBondContact O-N 2.9Å; Y14-L18 WeakPolarHBondContact O-CG 3.44Å; Y14-L18 PolarHBondContact O-N 3.47Å; Y14-V62 HydrophobicContact CD1-CG1 4.39Å; Y14-V62 HydrophobicContact CE1-CG1 3.8Å; Y14-V66 HydrophobicContact CE1-CG2 3.94Å; Y14-V66 WeakPolarHBondContact OH-CG1 3.14Å; Y14-V66 WeakPolarHBondContact OH-CG2 3.44Å; Y14-Y75 PolarHBondContact OH-OH 3.43Å
15S76.1Confident73Confident65 Ų6566.3 Ų66.346%0.45534%0.337SS..Hα-helixtrans-67.2-38.7176.568.30000112.1G11 L12 I13 G19G11-S15 PolarHBondContact O-N 2.98Å; G11-S15 PolarHBondContact O-OG 2.95Å; L12-S15 PolarHBondContact O-N 3.48Å; L12-S15 PolarHBondContact O-OG 3.3Å; I13-S15 PolarHBondContact O-N 2.88Å; S15-G19 PolarHBondContact O-N 3.45Å
16L74.9Confident72.4Confident108 Ų10866.1 Ų66.157%0.56534%0.337SS*.Hα-helixtrans-64.5-42.1173-72.3171.7000111.7L12 I13 G19 L20L12-L16 WeakPolarHBondContact O-CB 3.31Å; L12-L16 VanDerWaalsContact O-CG 3.23Å; L12-L16 WeakPolarHBondContact O-CG 3Å; L12-L16 PolarHBondContact O-N 2.94Å; I13-L16 PolarHBondContact O-N 3.48Å; L16-G19 PolarHBondContact O-N 3.1Å; L16-L20 WeakPolarHBondContact O-CB 3.15Å; L16-L20 WeakPolarHBondContact O-CG 3.35Å; L16-L20 PolarHBondContact O-N 3.24Å
17L70.9Confident71.9Confident8 Ų864.9 Ų64.94%0.04233%0.333CS..Hα-helixtrans-61.8-47.5177.1-69.7169.4000111.1I13 Y14 L20 I21 V59 V62 M82I13-L17 HydrophobicContact CG2-CD1 3.87Å; I13-L17 HydrophobicContact CG2-CG 4.25Å; I13-L17 WeakPolarHBondContact O-CB 3.14Å; I13-L17 WeakPolarHBondContact O-CG 3.37Å; I13-L17 PolarHBondContact O-N 3.23Å; Y14-L17 HydrophobicContact CD1-CD1 4.23Å; Y14-L17 PolarHBondContact O-N 2.9Å; L17-L20 PolarHBondContact O-N 2.79Å; L17-I21 WeakPolarHBondContact O-CG1 3.12Å; L17-I21 PolarHBondContact O-N 3Å; L17-I21 VanDerWaalsContact O-N 3.09Å; L17-V59 HydrophobicContact CB-CG2 4.2Å; L17-V59 HydrophobicContact CD2-CG2 4.18Å; L17-V62 HydrophobicContact CD1-CB 4.39Å; L17-V62 HydrophobicContact CD1-CG1 4.06Å; L17-V62 HydrophobicContact CD1-CG2 3.95Å; L17-M82 HydrophobicContact CD2-CE 3.4Å; L17-M82 VanDerWaalsContact CD2-CE 3.4Å; L17-M82 HydrophobicContact CD2-CG 4.33Å
18L72.9Confident71.1Confident110 Ų11059.6 Ų59.658%0.57632%0.321SS*.Hα-helixtrans-63.8-43176.5-75.4169.1000111.8Y14 L20 I21 V22Y14-L18 WeakPolarHBondContact O-CG 3.44Å; Y14-L18 PolarHBondContact O-N 3.47Å; L18-L20 VanDerWaalsContact C-N 3.33Å; L18-L20 PolarHBondContact O-N 2.71Å; L18-I21 PolarHBondContact O-N 3.19Å; L18-V22 WeakPolarHBondContact O-CG2 3.19Å; L18-V22 PolarHBondContact O-N 3.48Å
19G74Confident69.8Low41 Ų4160.9 Ų60.942%0.42333%0.331SS..Hα-helixtrans-59.1-42.3176.700000112.6S15 L16 V22 W23S15-G19 PolarHBondContact O-N 3.45Å; L16-G19 PolarHBondContact O-N 3.1Å; G19-V22 PolarHBondContact O-N 2.98Å; G19-W23 VanDerWaalsContact O-CB 3.24Å; G19-W23 WeakPolarHBondContact O-CB 3.23Å; G19-W23 PolarHBondContact O-N 3.21Å
20L70.1Confident68.7Low50 Ų5060.8 Ų60.826%0.26235%0.346SS..Hα-helixtrans-67.2-37.7177.1-75.5171000112.8L16 L17 L18 W23 C24 V55 M82L16-L20 WeakPolarHBondContact O-CB 3.15Å; L16-L20 WeakPolarHBondContact O-CG 3.35Å; L16-L20 PolarHBondContact O-N 3.24Å; L17-L20 PolarHBondContact O-N 2.79Å; L18-L20 VanDerWaalsContact C-N 3.33Å; L18-L20 PolarHBondContact O-N 2.71Å; L20-W23 HydrophobicContact CD2-CE3 4.19Å; L20-W23 PolarHBondContact O-N 3.37Å; L20-C24 WeakPolarHBondContact O-CB 3.5Å; L20-C24 PolarHBondContact O-N 3.28Å; L20-C24 PolarHBondContact O-SG 2.71Å; L20-V55 HydrophobicContact CB-CG1 4.35Å; L20-M82 HydrophobicContact CD1-CB 4.42Å
21I71.1Confident67.2Low33 Ų3363 Ų6317%0.16936%0.359CS..Hα-helixtrans-61.7-51.2174.2-66.4162.1000109.9L17 L18 W23 C24 H25 V55 V59L17-I21 WeakPolarHBondContact O-CG1 3.12Å; L17-I21 PolarHBondContact O-N 3Å; L17-I21 VanDerWaalsContact O-N 3.09Å; L18-I21 PolarHBondContact O-N 3.19Å; I21-W23 PolarHBondContact O-N 3.07Å; I21-C24 PolarHBondContact O-N 2.84Å; I21-H25 WeakPolarHBondContact O-CB 3.49Å; I21-H25 PolarHBondContact O-N 3.15Å; I21-V55 HydrophobicContact CG1-CG1 4.07Å; I21-V59 HydrophobicContact CD1-CB 3.91Å; I21-V59 HydrophobicContact CD1-CG1 3.73Å; I21-V59 HydrophobicContact CD1-CG2 3.53Å; I21-V59 HydrophobicContact CG1-CG2 3.82Å
22V70.4Confident65.3Low87 Ų8765.4 Ų65.453%0.52737%0.369SS..Hα-helixtrans-58.4-43.5-179.9173.90000110L18 G19 C24 H25 Q26L18-V22 WeakPolarHBondContact O-CG2 3.19Å; L18-V22 PolarHBondContact O-N 3.48Å; G19-V22 PolarHBondContact O-N 2.98Å; V22-C24 PolarHBondContact O-N 3.1Å; V22-H25 PolarHBondContact O-N 3.22Å; V22-Q26 WeakPolarHBondContact O-CG 3.33Å; V22-Q26 PolarHBondContact O-N 3.06Å; V22-Q26 VanDerWaalsContact O-N 3.08Å
23W67.8Low63.6Low59 Ų5973.8 Ų73.822%0.22340%0.398CS..Hα-helixtrans-64.6-38.2179.5-174.466.8000113.3G19 L20 I21 F45 R47 V86G19-W23 VanDerWaalsContact O-CB 3.24Å; G19-W23 WeakPolarHBondContact O-CB 3.23Å; G19-W23 PolarHBondContact O-N 3.21Å; L20-W23 HydrophobicContact CD2-CE3 4.19Å; L20-W23 PolarHBondContact O-N 3.37Å; I21-W23 PolarHBondContact O-N 3.07Å; W23-F45 HydrophobicContact CH2-CB 3.75Å; W23-F45 HydrophobicContact CH2-CG 4.28Å; W23-F45 HydrophobicContact CZ2-CB 4.46Å; W23-R47 VanDerWaalsContact CE2-CZ 3.48Å; W23-R47 VanDerWaalsContact CE2-NE 3.29Å; W23-R47 HydrophobicContact CH2-CG 3.79Å; W23-R47 HydrophobicContact CZ2-CG 3.88Å; W23-R47 HydrophobicContact CZ3-CG 4.25Å; W23-R47 VanDerWaalsContact NE1-NH2 3.18Å; W23-V86 HydrophobicContact CH2-CG1 3.78Å; W23-V86 HydrophobicContact CZ3-CG1 3.48Å; W23-V86 VanDerWaalsContact CZ3-CG1 3.48Å; W23-V86 HydrophobicContact CZ3-CG2 4.46Å
24C66.2Low61.5Low2 Ų277 Ų771%0.01442%0.422CS..Hα-helixtrans-76.3-36.3175.2-640000112.2L20 I21 V22 Q26 Y27 F52L20-C24 WeakPolarHBondContact O-CB 3.5Å; L20-C24 PolarHBondContact O-N 3.28Å; L20-C24 PolarHBondContact O-SG 2.71Å; I21-C24 PolarHBondContact O-N 2.84Å; V22-C24 PolarHBondContact O-N 3.1Å; C24-Q26 VanDerWaalsContact C-N 3.31Å; C24-Q26 PolarHBondContact O-N 3.14Å; C24-Y27 WeakPolarHBondContact O-CB 3.42Å; C24-Y27 PolarHBondContact O-N 2.84Å; C24-F52 HydrophobicContact CB-CB 4.11Å; C24-F52 HydrophobicContact CB-CD2 3.74Å; C24-F52 HydrophobicContact CB-CG 4.43Å
25H67.5Low59.7Low82 Ų8277.2 Ų77.238%0.3844%0.435SS..Hα-helixtrans-64.8-35.2179.9-172.3-75.8000112.2I21 V22 Y27 C28 M29 F52I21-H25 WeakPolarHBondContact O-CB 3.49Å; I21-H25 PolarHBondContact O-N 3.15Å; V22-H25 PolarHBondContact O-N 3.22Å; H25-Y27 PolarHBondContact O-N 3.39Å; H25-Y27 VanDerWaalsContact O-N 3.12Å; H25-C28 PolarHBondContact O-N 3.34Å; H25-M29 WeakPolarHBondContact CE1-CG 3.14Å; H25-M29 WeakPolarHBondContact ND1-CG 3.47Å; H25-M29 PolarHBondContact O-N 3.24Å; H25-F52 HydrophobicContact CB-CD2 4.39Å; H25-F52 HydrophobicContact CB-CE2 3.8Å; H25-F52 AromaticContact CD2-CE2 3.92Å; H25-F52 AromaticContact CD2-CZ 3.88Å
26Q63.7Low58.2Low119 Ų11977.7 Ų77.756%0.55643%0.43SS*.Hα-helixtrans-54.2-31.1175.8-79.9176.1-1000112.7V22 C24V22-Q26 WeakPolarHBondContact O-CG 3.33Å; V22-Q26 PolarHBondContact O-N 3.06Å; V22-Q26 VanDerWaalsContact O-N 3.08Å; C24-Q26 VanDerWaalsContact C-N 3.31Å; C24-Q26 PolarHBondContact O-N 3.14Å
27Y59.1Low57Low21 Ų2182 Ų828%0.08244%0.444CS..Hα-helixtrans-76.4-40.8176.8-175.8-90.7000112.2C24 H25 M29 G30 L31 I38 L40 R47C24-Y27 WeakPolarHBondContact O-CB 3.42Å; C24-Y27 PolarHBondContact O-N 2.84Å; H25-Y27 PolarHBondContact O-N 3.39Å; H25-Y27 VanDerWaalsContact O-N 3.12Å; Y27-M29 VanDerWaalsContact C-N 3.31Å; Y27-M29 PolarHBondContact O-N 3.47Å; Y27-G30 PolarHBondContact O-N 3.48Å; Y27-L31 HydrophobicContact CD2-CD1 3.95Å; Y27-L31 HydrophobicContact CE1-CD1 4.05Å; Y27-L31 HydrophobicContact CE2-CD1 3.3Å; Y27-L31 WeakPolarHBondContact OH-CD1 3.2Å; Y27-I38 WeakPolarHBondContact CE2-O 3.47Å; Y27-I38 VanDerWaalsContact CZ-O 3.3Å; Y27-I38 VanDerWaalsContact OH-C 3.29Å; Y27-I38 PolarHBondContact OH-O 3.08Å; Y27-L40 HydrophobicContact CD2-CB 3.93Å; Y27-L40 HydrophobicContact CD2-CD1 3.74Å; Y27-L40 HydrophobicContact CD2-CG 4.17Å; Y27-L40 HydrophobicContact CE2-CB 3.86Å; Y27-L40 HydrophobicContact CE2-CD1 3.84Å; Y27-L40 HydrophobicContact CE2-CG 3.91Å; Y27-R47 HydrophobicContact CD2-CB 3.93Å; Y27-R47 WeakPolarHBondContact CD2-O 3.46Å; Y27-R47 VanDerWaalsContact CE2-O 3.26Å; Y27-R47 WeakPolarHBondContact CE2-O 3.38Å; Y27-R47 HydrophobicContact CG-CB 4.04Å; Y27-R47 VanDerWaalsContact CZ-O 3.3Å
28C57.3Low56Low61 Ų6185.9 Ų85.941%0.41246%0.464SS..Hα-helixtrans-66-30.7-178-165.10000113.3H25 F52H25-C28 PolarHBondContact O-N 3.34Å; C28-F52 HydrophobicContact CB-CD1 4.47Å
29M49.6Very low55.2Low151 Ų15181.4 Ų81.474%0.74444%0.442SS*.THydrogen-bonded Turntrans-83-13.7177.7-66.3-67.5-88.900113.5H25 Y27H25-M29 WeakPolarHBondContact CE1-CG 3.14Å; H25-M29 WeakPolarHBondContact ND1-CG 3.47Å; H25-M29 PolarHBondContact O-N 3.24Å; Y27-M29 VanDerWaalsContact C-N 3.31Å; Y27-M29 PolarHBondContact O-N 3.47Å
30G52.2Low54.1Low60 Ų6084.1 Ų84.162%0.61945%0.447SS*.THydrogen-bonded Turntrans-98.2-8.6-16600000116.2Y27Y27-G30 PolarHBondContact O-N 3.48Å
31L42.4Very low53.5Low73 Ų7384.9 Ų84.938%0.38245%0.45SS..SBendtrans-131.2126.9-170.8-81.6147.8000112Y27Y27-L31 HydrophobicContact CD2-CD1 3.95Å; Y27-L31 HydrophobicContact CE1-CD1 4.05Å; Y27-L31 HydrophobicContact CE2-CD1 3.3Å; Y27-L31 WeakPolarHBondContact OH-CD1 3.2Å
32S36.8Very low53Low87 Ų8788 Ų8861%0.60847%0.467SS*.  trans-47.4141.7166.146.20000111.1S34S32-S34 PolarHBondContact O-N 3.26Å; S32-S34 PolarHBondContact OG-OG 3.07Å
33Y41.1Very low52.9Low243 Ų24386 Ų8695%0.95346%0.463SS*.SBendtrans-50.56.1177.1-84.7-92000116.9
34S33.1Very low53.2Low81 Ų8187 Ų8757%0.56647%0.473SS*.SBendtrans-106.1111-178.347.30000111S32S32-S34 PolarHBondContact O-N 3.26Å; S32-S34 PolarHBondContact OG-OG 3.07Å
35S37.5Very low53.8Low81 Ų8190.2 Ų90.257%0.56649%0.486SS*.  trans84.191170.476.90000117.8K37S35-K37 PolarHBondContact O-N 3.09Å
36M44.6Very low54.2Low75 Ų7586.4 Ų86.437%0.36947%0.469SS..THydrogen-bonded Turntrans-57.511.7170.9-76.7-76.6-71.200116.7C49 L277M36-C49 HydrophobicContact CE-CB 4.32Å; M36-C49 HydrophobicContact SD-CB 4.27Å; M36-L277 HydrophobicContact CE-CD1 4.18Å; M36-L277 HydrophobicContact CE-CD2 3.46Å; M36-L277 VanDerWaalsContact CE-CD2 3.46Å; M36-L277 HydrophobicContact CE-CG 3.44Å; M36-L277 VanDerWaalsContact CE-CG 3.44Å; M36-L277 HydrophobicContact CG-CD1 4.2Å; M36-L277 HydrophobicContact CG-CG 4.41Å; M36-L277 HydrophobicContact SD-CD1 3.63Å; M36-L277 HydrophobicContact SD-CD2 3.61Å; M36-L277 HydrophobicContact SD-CG 3.58Å; M36-L277 VanDerWaalsContact SD-CG 3.58Å
37K49.5Very low54.7Low197 Ų19783.2 Ų83.286%0.85745%0.452SS*.THydrogen-bonded Turntrans-111.8-1.6-174.3-79.2-171.9175.9-177.70115.3S35 C39S35-K37 PolarHBondContact O-N 3.09Å; K37-C39 VanDerWaalsContact C-N 3.34Å; K37-C39 PolarHBondContact O-N 3.36Å; K37-C39 VanDerWaalsContact O-N 3.08Å
38I50Low55.5Low90 Ų9083 Ų8346%0.46245%0.452SS..  trans-90.469.1-176.5-50.1177.4000111.2Y27 L40Y27-I38 WeakPolarHBondContact CE2-O 3.47Å; Y27-I38 VanDerWaalsContact CZ-O 3.3Å; Y27-I38 VanDerWaalsContact OH-C 3.29Å; Y27-I38 PolarHBondContact OH-O 3.08Å; I38-L40 PolarHBondContact O-N 3.15Å; I38-L40 VanDerWaalsContact O-N 3.14Å
39C56Low56.4Low17 Ų1781.5 Ų81.512%0.11544%0.442CS..  trans-58.5116.9172.4-1700000110.9K37 M41 M46 R47 D48 L152K37-C39 VanDerWaalsContact C-N 3.34Å; K37-C39 PolarHBondContact O-N 3.36Å; K37-C39 VanDerWaalsContact O-N 3.08Å; C39-M41 HydrophobicContact CB-CG 4.38Å; C39-M41 PolarHBondContact O-N 3.41Å; C39-M41 VanDerWaalsContact SG-CE 3.53Å; C39-M46 WeakPolarHBondContact SG-CA 3.35Å; C39-M46 WeakPolarHBondContact SG-CB 3.41Å; C39-R47 PolarHBondContact SG-N 3.41Å; C39-R47 VanDerWaalsContact SG-N 3.45Å; C39-D48 WeakPolarHBondContact CA-OD1 3.28Å; C39-D48 WeakPolarHBondContact CB-OD1 3.06Å; C39-D48 PolarHBondContact SG-OD1 3.43Å; C39-D48 PolarHBondContact SG-OD2 2.69Å; C39-L152 HydrophobicContact CB-CD1 4.02Å
40L51.1Low58Low98 Ų9875 Ų7551%0.51341%0.41SS..  trans-75.797.7172.5-89.7168.1000109.1Y27 I38 R47Y27-L40 HydrophobicContact CD2-CB 3.93Å; Y27-L40 HydrophobicContact CD2-CD1 3.74Å; Y27-L40 HydrophobicContact CD2-CG 4.17Å; Y27-L40 HydrophobicContact CE2-CB 3.86Å; Y27-L40 HydrophobicContact CE2-CD1 3.84Å; Y27-L40 HydrophobicContact CE2-CG 3.91Å; I38-L40 PolarHBondContact O-N 3.15Å; I38-L40 VanDerWaalsContact O-N 3.14Å; L40-R47 HydrophobicContact CB-CB 4.47Å
41M56.2Low59.4Low66 Ų6672.2 Ų72.233%0.32538%0.381SS..  trans-85.2120.4-171.9-81.2-91.7100.700112.8C39 F45 M46 N88 L152C39-M41 HydrophobicContact CB-CG 4.38Å; C39-M41 PolarHBondContact O-N 3.41Å; C39-M41 VanDerWaalsContact SG-CE 3.53Å; M41-F45 WeakPolarHBondContact CE-O 3.4Å; M41-M46 HydrophobicContact CE-CB 3.87Å; M41-M46 HydrophobicContact CE-CG 3.36Å; M41-M46 HydrophobicContact CE-SD 3.96Å; M41-N88 HydrophobicContact CE-CB 3.83Å; M41-N88 WeakPolarHBondContact CE-ND2 3.37Å; M41-N88 HydrophobicContact SD-CB 4.44Å; M41-N88 PolarHBondContact SD-ND2 3.21Å; M41-L152 HydrophobicContact CE-CD1 3.5Å; M41-L152 HydrophobicContact CG-CD1 3.8Å; M41-L152 HydrophobicContact SD-CD1 3.36Å; M41-L152 WeakPolarHBondContact SD-CD1 3.43Å
42N61.9Low61.4Low98 Ų9870.2 Ų70.252%0.52437%0.37SS..BIsolated β-bridgetrans-89.9144.9136-78.4-4.6000106.3L44 F45N42-L44 PolarHBondContact O-N 3.39Å; N42-F45 PolarHBondContact N-O 3.13Å; N42-F45 PolarHBondContact O-N 3.15Å
43G66.5Low63.6Low44 Ų4467 Ų6745%0.45435%0.345SS..THydrogen-bonded Turntrans-54.4-10.8-172.800000116.8
44L74Confident65.7Low81 Ų8155.8 Ų55.842%0.42430%0.302SS..THydrogen-bonded Turntrans-101.5-30.3173.7-67.1169.8000114.3N42 N88 K89N42-L44 PolarHBondContact O-N 3.39Å; L44-N88 PolarHBondContact O-N 3.09Å; L44-K89 HydrophobicContact CD2-CD 4.01Å
45F79.8Confident68.2Low69 Ų6952 Ų5230%0.30328%0.275SS..BIsolated β-bridgetrans-132139.8-165.4-64-58.8000113W23 M41 N42 M83 V86 V87W23-F45 HydrophobicContact CH2-CB 3.75Å; W23-F45 HydrophobicContact CH2-CG 4.28Å; W23-F45 HydrophobicContact CZ2-CB 4.46Å; M41-F45 WeakPolarHBondContact CE-O 3.4Å; N42-F45 PolarHBondContact N-O 3.13Å; N42-F45 PolarHBondContact O-N 3.15Å; F45-M83 HydrophobicContact CE1-CE 3.74Å; F45-M83 HydrophobicContact CE1-SD 4.48Å; F45-M83 HydrophobicContact CZ-CE 4.08Å; F45-V86 CarbonylContact C-O 3.58Å; F45-V86 WeakPolarHBondContact CA-O 3.02Å; F45-V86 HydrophobicContact CB-CG1 3.72Å; F45-V86 HydrophobicContact CD1-CB 4.3Å; F45-V86 HydrophobicContact CD1-CG1 3.49Å; F45-V86 VanDerWaalsContact CD1-CG1 3.49Å; F45-V86 HydrophobicContact CE1-CG1 4.36Å; F45-V86 HydrophobicContact CG-CG1 3.89Å; F45-V87 HydrophobicContact CD1-CG2 4.44Å; F45-V87 HydrophobicContact CE1-CG2 4.27Å
46M76.1Confident70.5Confident2 Ų250.3 Ų50.31%0.0126%0.26CS..  trans-101.4134.7-180-49.1-138.5-99.100109.8C39 M41 V86 V87 N88 M151 L152 R214C39-M46 WeakPolarHBondContact SG-CA 3.35Å; C39-M46 WeakPolarHBondContact SG-CB 3.41Å; M41-M46 HydrophobicContact CE-CB 3.87Å; M41-M46 HydrophobicContact CE-CG 3.36Å; M41-M46 HydrophobicContact CE-SD 3.96Å; M46-V86 WeakPolarHBondContact CB-O 3.31Å; M46-V86 WeakPolarHBondContact CG-O 3.43Å; M46-V86 PolarHBondContact N-O 3.45Å; M46-V87 WeakPolarHBondContact CE-O 3.28Å; M46-N88 HydrophobicContact CG-CB 3.61Å; M46-N88 HydrophobicContact SD-CB 4.03Å; M46-M151 HydrophobicContact CE-CE 3.71Å; M46-L152 HydrophobicContact SD-CD1 3.7Å; M46-L152 HydrophobicContact SD-CD2 4Å; M46-L152 HydrophobicContact SD-CG 3.67Å; M46-R214 HydrophobicContact CE-CG 4.35Å; M46-R214 VanDerWaalsContact CE-NH1 3.28Å; M46-R214 PolarHBondContact SD-NH1 3Å
47R74.2Confident72.6Confident52 Ų5246.8 Ų46.820%0.19624%0.242CC..  trans-118.5104.1169.9-58.8-173.3-147-178.34.3108.2W23 Y27 C39 L40W23-R47 VanDerWaalsContact CE2-CZ 3.48Å; W23-R47 VanDerWaalsContact CE2-NE 3.29Å; W23-R47 HydrophobicContact CH2-CG 3.79Å; W23-R47 HydrophobicContact CZ2-CG 3.88Å; W23-R47 HydrophobicContact CZ3-CG 4.25Å; W23-R47 VanDerWaalsContact NE1-NH2 3.18Å; Y27-R47 HydrophobicContact CD2-CB 3.93Å; Y27-R47 WeakPolarHBondContact CD2-O 3.46Å; Y27-R47 VanDerWaalsContact CE2-O 3.26Å; Y27-R47 WeakPolarHBondContact CE2-O 3.38Å; Y27-R47 HydrophobicContact CG-CB 4.04Å; Y27-R47 VanDerWaalsContact CZ-O 3.3Å; C39-R47 PolarHBondContact SG-N 3.41Å; C39-R47 VanDerWaalsContact SG-N 3.45Å; L40-R47 HydrophobicContact CB-CB 4.47Å
48D76Confident74.4Confident16 Ų1637.5 Ų37.59%0.08620%0.202CC..  trans-138.6164.9179.8-50.3-57.8000111.3C39 L50 S51 F52 R214C39-D48 WeakPolarHBondContact CA-OD1 3.28Å; C39-D48 WeakPolarHBondContact CB-OD1 3.06Å; C39-D48 PolarHBondContact SG-OD1 3.43Å; C39-D48 PolarHBondContact SG-OD2 2.69Å; D48-L50 PolarHBondContact O-N 3.23Å; D48-S51 PolarHBondContact N-OG 3.4Å; D48-S51 PolarHBondContact O-N 3.44Å; D48-S51 PolarHBondContact O-OG 2.94Å; D48-F52 PolarHBondContact O-N 3.17Å; D48-R214 IonicContact OD2-CZ 3.12Å; D48-R214 IonicContact OD2-NH1 2.64Å; D48-R214 PolarHBondContact OD2-NH1 3.35Å; D48-R214 IonicContact OD2-NH2 2.74Å; D48-R214 PolarHBondContact OD2-NH2 3.31Å
49C76.4Confident76Confident31 Ų3134.8 Ų34.821%0.20919%0.189CC..Hα-helixtrans-55-37.2174-61.70000112.6M36 F52 L53 L277M36-C49 HydrophobicContact CE-CB 4.32Å; M36-C49 HydrophobicContact SD-CB 4.27Å; C49-F52 PolarHBondContact O-N 3.11Å; C49-L53 WeakPolarHBondContact O-CG 3.27Å; C49-L53 PolarHBondContact O-N 3.5Å; C49-L277 HydrophobicContact CB-CD2 3.9Å
50L81.7Confident77.2Confident14 Ų1435.6 Ų35.67%0.07319%0.194CC..Hα-helixtrans-60.8-49.3174.3-178.2159.6000111.5D48 F52 L53 M54 V210 L213 L280D48-L50 PolarHBondContact O-N 3.23Å; L50-F52 VanDerWaalsContact C-N 3.26Å; L50-F52 PolarHBondContact O-N 3.43Å; L50-L53 PolarHBondContact O-N 3.24Å; L50-M54 HydrophobicContact CD2-CG 4.17Å; L50-M54 WeakPolarHBondContact O-CB 3.3Å; L50-M54 WeakPolarHBondContact O-CG 3.45Å; L50-M54 PolarHBondContact O-N 2.88Å; L50-V210 HydrophobicContact CD2-CB 4.44Å; L50-V210 HydrophobicContact CD2-CG1 3.8Å; L50-V210 HydrophobicContact CD2-CG2 3.94Å; L50-V210 HydrophobicContact CG-CG2 4.43Å; L50-L213 HydrophobicContact CD1-CB 4Å; L50-L213 HydrophobicContact CD1-CD1 3.61Å; L50-L213 HydrophobicContact CD1-CG 4.46Å; L50-L280 HydrophobicContact CB-CD1 3.87Å; L50-L280 HydrophobicContact CB-CD2 4.46Å; L50-L280 HydrophobicContact CD1-CD1 4.3Å; L50-L280 HydrophobicContact CD1-CD2 3.98Å; L50-L280 HydrophobicContact CG-CD1 4.2Å; L50-L280 HydrophobicContact CG-CD2 3.9Å
51S82.8Confident78.8Confident1 Ų131 Ų311%0.00717%0.17CC..Hα-helixtrans-60.8-40.2178.958.90000111.1D48 V55 S85D48-S51 PolarHBondContact N-OG 3.4Å; D48-S51 PolarHBondContact O-N 3.44Å; D48-S51 PolarHBondContact O-OG 2.94Å; S51-V55 WeakPolarHBondContact O-CB 3.48Å; S51-V55 WeakPolarHBondContact O-CG2 3.27Å; S51-V55 PolarHBondContact O-N 2.88Å; S51-S85 VanDerWaalsContact CB-O 3.31Å; S51-S85 WeakPolarHBondContact CB-O 3.42Å
52F83.1Confident79.8Confident32 Ų3228.2 Ų28.214%0.1416%0.156CC..Hα-helixtrans-63-49.8177.9175.2-107.2000112.2C24 H25 C28 D48 C49 L50 M54 V55 L56C24-F52 HydrophobicContact CB-CB 4.11Å; C24-F52 HydrophobicContact CB-CD2 3.74Å; C24-F52 HydrophobicContact CB-CG 4.43Å; H25-F52 HydrophobicContact CB-CD2 4.39Å; H25-F52 HydrophobicContact CB-CE2 3.8Å; H25-F52 AromaticContact CD2-CE2 3.92Å; H25-F52 AromaticContact CD2-CZ 3.88Å; C28-F52 HydrophobicContact CB-CD1 4.47Å; D48-F52 PolarHBondContact O-N 3.17Å; C49-F52 PolarHBondContact O-N 3.11Å; L50-F52 VanDerWaalsContact C-N 3.26Å; L50-F52 PolarHBondContact O-N 3.43Å; F52-M54 VanDerWaalsContact C-N 3.35Å; F52-M54 PolarHBondContact O-N 2.9Å; F52-V55 PolarHBondContact O-N 2.86Å; F52-L56 VanDerWaalsContact O-CB 3.3Å; F52-L56 WeakPolarHBondContact O-CB 3.28Å; F52-L56 PolarHBondContact O-N 3.44Å
53L84.7Confident80.4Confident19 Ų1926.9 Ų26.910%0.09916%0.159CC..Hα-helixtrans-63.4-39.6-179.6-74.2172.9000112.4C49 L50 L56 L57 L280 L281C49-L53 WeakPolarHBondContact O-CG 3.27Å; C49-L53 PolarHBondContact O-N 3.5Å; L50-L53 PolarHBondContact O-N 3.24Å; L53-L56 PolarHBondContact O-N 2.85Å; L53-L57 WeakPolarHBondContact O-CB 3.48Å; L53-L57 PolarHBondContact O-N 2.84Å; L53-L280 HydrophobicContact CD1-CB 3.74Å; L53-L281 HydrophobicContact CD1-CD2 4.32Å; L53-L281 HydrophobicContact CD2-CD2 4.13Å
54M84.9Confident80.7Confident8 Ų828.1 Ų28.14%0.03915%0.152CC..Hα-helixtrans-71-39.3177.9-70-57.9-59.900112.1L50 F52 L56 L57 V58 K206 L207 V210L50-M54 HydrophobicContact CD2-CG 4.17Å; L50-M54 WeakPolarHBondContact O-CB 3.3Å; L50-M54 WeakPolarHBondContact O-CG 3.45Å; L50-M54 PolarHBondContact O-N 2.88Å; F52-M54 VanDerWaalsContact C-N 3.35Å; F52-M54 PolarHBondContact O-N 2.9Å; M54-L56 VanDerWaalsContact C-N 3.34Å; M54-L57 PolarHBondContact O-N 3.35Å; M54-V58 WeakPolarHBondContact O-CG2 3.32Å; M54-V58 PolarHBondContact O-N 3.13Å; M54-K206 HydrophobicContact CE-CB 3.73Å; M54-K206 HydrophobicContact SD-CB 4.17Å; M54-L207 HydrophobicContact CE-CD2 4.13Å; M54-V210 HydrophobicContact CE-CG2 4.03Å; M54-V210 HydrophobicContact CG-CG2 3.7Å; M54-V210 HydrophobicContact SD-CG2 3.9Å
55V85.5Confident80.6Confident0 Ų024.8 Ų24.80%014%0.135CC..Hα-helixtrans-62.8-45.6173.3169.20000110.2L20 I21 S51 F52 L57 V58 V59 M82 S85 V86L20-V55 HydrophobicContact CB-CG1 4.35Å; I21-V55 HydrophobicContact CG1-CG1 4.07Å; S51-V55 WeakPolarHBondContact O-CB 3.48Å; S51-V55 WeakPolarHBondContact O-CG2 3.27Å; S51-V55 PolarHBondContact O-N 2.88Å; F52-V55 PolarHBondContact O-N 2.86Å; V55-L57 VanDerWaalsContact C-N 3.33Å; V55-L57 PolarHBondContact O-N 2.9Å; V55-V58 PolarHBondContact O-N 3.38Å; V55-V59 WeakPolarHBondContact O-CG2 3.36Å; V55-V59 PolarHBondContact O-N 3.44Å; V55-M82 VanDerWaalsContact CA-SD 3.51Å; V55-M82 HydrophobicContact CB-SD 3.88Å; V55-M82 HydrophobicContact CG1-CE 3.96Å; V55-M82 HydrophobicContact CG1-SD 3.82Å; V55-M82 HydrophobicContact CG2-SD 3.74Å; V55-M82 VanDerWaalsContact O-CE 3.3Å; V55-M82 WeakPolarHBondContact O-CE 3.34Å; V55-S85 WeakPolarHBondContact CG2-OG 3.4Å; V55-V86 HydrophobicContact CG2-CG2 4.27Å
56L86.3Confident79.9Confident47 Ų4724.4 Ų24.425%0.24614%0.138CC..Hα-helixtrans-56.3-48.1175.7-171.877.4000111.1F52 L53 M54 V58 V59 T60 Y284F52-L56 VanDerWaalsContact O-CB 3.3Å; F52-L56 WeakPolarHBondContact O-CB 3.28Å; F52-L56 PolarHBondContact O-N 3.44Å; L53-L56 PolarHBondContact O-N 2.85Å; M54-L56 VanDerWaalsContact C-N 3.34Å; L56-V58 PolarHBondContact O-N 3.11Å; L56-V59 PolarHBondContact O-N 3.42Å; L56-T60 WeakPolarHBondContact O-CG2 3.38Å; L56-T60 PolarHBondContact O-N 3.48Å; L56-Y284 HydrophobicContact CB-CE2 4.19Å; L56-Y284 HydrophobicContact CD2-CD2 4.3Å; L56-Y284 HydrophobicContact CD2-CE1 4.36Å; L56-Y284 HydrophobicContact CD2-CE2 3.47Å; L56-Y284 VanDerWaalsContact CD2-CE2 3.47Å; L56-Y284 VanDerWaalsContact CD2-CZ 3.5Å; L56-Y284 WeakPolarHBondContact CD2-OH 3.21Å; L56-Y284 HydrophobicContact CG-CE2 3.8Å
57L87.9Confident79.2Confident1 Ų132 Ų321%0.00518%0.176CC..Hα-helixtrans-57.2-51.7177.1-173.2161.2000111.1L53 M54 V55 V59 T60 M61 G202 K206 Y284L53-L57 WeakPolarHBondContact O-CB 3.48Å; L53-L57 PolarHBondContact O-N 2.84Å; M54-L57 PolarHBondContact O-N 3.35Å; V55-L57 VanDerWaalsContact C-N 3.33Å; V55-L57 PolarHBondContact O-N 2.9Å; L57-V59 PolarHBondContact O-N 2.94Å; L57-T60 PolarHBondContact O-N 3.44Å; L57-T60 VanDerWaalsContact O-N 3.17Å; L57-T60 PolarHBondContact O-OG1 3.39Å; L57-M61 HydrophobicContact CD2-CE 3.85Å; L57-M61 HydrophobicContact CD2-CG 3.8Å; L57-M61 HydrophobicContact CG-CE 3.99Å; L57-M61 VanDerWaalsContact O-CG 3.28Å; L57-M61 WeakPolarHBondContact O-CG 3.48Å; L57-M61 PolarHBondContact O-N 3.03Å; L57-G202 WeakPolarHBondContact CD2-O 3.32Å; L57-K206 HydrophobicContact CD1-CD 4.37Å; L57-Y284 HydrophobicContact CB-CD2 3.97Å; L57-Y284 HydrophobicContact CB-CE2 4.25Å
58V86.3Confident78.4Confident1 Ų130.6 Ų30.61%0.00618%0.177CC..Hα-helixtrans-62.8-35.9-177.2174.20000110.2M54 V55 L56 M61 V62 M78 A81 M82 Y203M54-V58 WeakPolarHBondContact O-CG2 3.32Å; M54-V58 PolarHBondContact O-N 3.13Å; V55-V58 PolarHBondContact O-N 3.38Å; L56-V58 PolarHBondContact O-N 3.11Å; V58-M61 WeakPolarHBondContact O-CB 3.45Å; V58-M61 PolarHBondContact O-N 3.06Å; V58-V62 WeakPolarHBondContact O-CG2 3.34Å; V58-V62 PolarHBondContact O-N 3.1Å; V58-M78 HydrophobicContact CB-CE 4.38Å; V58-M78 HydrophobicContact CG1-CB 4Å; V58-M78 HydrophobicContact CG1-CE 3.48Å; V58-M78 VanDerWaalsContact CG1-CE 3.48Å; V58-M78 HydrophobicContact CG1-SD 4.35Å; V58-M78 WeakPolarHBondContact O-CE 3.36Å; V58-A81 HydrophobicContact CG2-CB 4.06Å; V58-M82 HydrophobicContact CB-CE 3.45Å; V58-M82 VanDerWaalsContact CB-CE 3.45Å; V58-M82 HydrophobicContact CB-CG 4.43Å; V58-M82 HydrophobicContact CB-SD 3.53Å; V58-M82 VanDerWaalsContact CB-SD 3.53Å; V58-M82 HydrophobicContact CG1-CE 3.39Å; V58-M82 HydrophobicContact CG1-CG 3.93Å; V58-M82 HydrophobicContact CG1-SD 3.65Å; V58-M82 HydrophobicContact CG2-SD 4.15Å; V58-Y203 HydrophobicContact CG2-CD1 4.35Å; V58-Y203 HydrophobicContact CG2-CG 4.1Å
59V83.8Confident77.6Confident33 Ų3332 Ų3220%0.219%0.185CC..Hα-helixtrans-67.4-42.5174.2179.70000112.5L17 I21 V55 L56 L57 M61 V62 A63 M82L17-V59 HydrophobicContact CB-CG2 4.2Å; L17-V59 HydrophobicContact CD2-CG2 4.18Å; I21-V59 HydrophobicContact CD1-CB 3.91Å; I21-V59 HydrophobicContact CD1-CG1 3.73Å; I21-V59 HydrophobicContact CD1-CG2 3.53Å; I21-V59 HydrophobicContact CG1-CG2 3.82Å; V55-V59 WeakPolarHBondContact O-CG2 3.36Å; V55-V59 PolarHBondContact O-N 3.44Å; L56-V59 PolarHBondContact O-N 3.42Å; L57-V59 PolarHBondContact O-N 2.94Å; V59-M61 PolarHBondContact O-N 3.47Å; V59-V62 WeakPolarHBondContact O-CB 3.33Å; V59-V62 PolarHBondContact O-N 2.86Å; V59-A63 PolarHBondContact O-N 3.39Å; V59-A63 VanDerWaalsContact O-N 3.1Å; V59-M82 HydrophobicContact CB-CE 4.43Å; V59-M82 HydrophobicContact CG2-CE 3.33Å
60T83Confident76.9Confident35 Ų3534.5 Ų34.522%0.21520%0.203CC..Hα-helixtrans-61.1-37.5175.959.30000110.8L56 L57 V62 A63 F64L56-T60 WeakPolarHBondContact O-CG2 3.38Å; L56-T60 PolarHBondContact O-N 3.48Å; L57-T60 PolarHBondContact O-N 3.44Å; L57-T60 VanDerWaalsContact O-N 3.17Å; L57-T60 PolarHBondContact O-OG1 3.39Å; T60-V62 PolarHBondContact O-N 2.73Å; T60-A63 WeakPolarHBondContact O-CB 3.48Å; T60-A63 PolarHBondContact O-N 3.4Å; T60-F64 WeakPolarHBondContact O-CD2 3.45Å; T60-F64 PolarHBondContact O-N 3.02Å
61M82.8Confident76.6Confident0 Ų034.9 Ų34.90%021%0.206CC..Hα-helixtrans-63.7-37.9172.6-61.9-51.7144.500112.9L57 V58 V59 A63 F64 V65 M78 V198 G287 S291L57-M61 HydrophobicContact CD2-CE 3.85Å; L57-M61 HydrophobicContact CD2-CG 3.8Å; L57-M61 HydrophobicContact CG-CE 3.99Å; L57-M61 VanDerWaalsContact O-CG 3.28Å; L57-M61 WeakPolarHBondContact O-CG 3.48Å; L57-M61 PolarHBondContact O-N 3.03Å; V58-M61 WeakPolarHBondContact O-CB 3.45Å; V58-M61 PolarHBondContact O-N 3.06Å; V59-M61 PolarHBondContact O-N 3.47Å; M61-A63 VanDerWaalsContact C-N 3.28Å; M61-A63 PolarHBondContact O-N 3.38Å; M61-F64 PolarHBondContact O-N 3.36Å; M61-F64 HydrophobicContact SD-CD2 4.44Å; M61-V65 WeakPolarHBondContact O-CB 2.93Å; M61-V65 VanDerWaalsContact O-CG2 3.28Å; M61-V65 WeakPolarHBondContact O-CG2 3.5Å; M61-V65 PolarHBondContact O-N 3.3Å; M61-M78 HydrophobicContact CB-CE 3.63Å; M61-V198 HydrophobicContact SD-CG1 4.03Å; M61-G287 VanDerWaalsContact CE-C 3.4Å; M61-G287 VanDerWaalsContact CE-O 3.25Å; M61-G287 WeakPolarHBondContact CE-O 3.49Å; M61-S291 VanDerWaalsContact CE-OG 3.31Å; M61-S291 WeakPolarHBondContact CE-OG 3.3Å; M61-S291 WeakPolarHBondContact SD-CB 3.21Å; M61-S291 PolarHBondContact SD-OG 3.45Å; M61-S291 VanDerWaalsContact SD-OG 3.35Å
62V77.8Confident76.4Confident8 Ų838.4 Ų38.45%0.04822%0.224CC..Hα-helixtrans-59.1-44.2174.11740000109.9Y14 L17 V58 V59 T60 F64 V65 V66 M78Y14-V62 HydrophobicContact CD1-CG1 4.39Å; Y14-V62 HydrophobicContact CE1-CG1 3.8Å; L17-V62 HydrophobicContact CD1-CB 4.39Å; L17-V62 HydrophobicContact CD1-CG1 4.06Å; L17-V62 HydrophobicContact CD1-CG2 3.95Å; V58-V62 WeakPolarHBondContact O-CG2 3.34Å; V58-V62 PolarHBondContact O-N 3.1Å; V59-V62 WeakPolarHBondContact O-CB 3.33Å; V59-V62 PolarHBondContact O-N 2.86Å; T60-V62 PolarHBondContact O-N 2.73Å; V62-F64 VanDerWaalsContact C-N 3.26Å; V62-F64 PolarHBondContact O-N 2.94Å; V62-V65 PolarHBondContact O-N 2.98Å; V62-V65 VanDerWaalsContact O-N 3.17Å; V62-V66 HydrophobicContact CG1-CG2 3.71Å; V62-V66 WeakPolarHBondContact O-CB 3.37Å; V62-V66 WeakPolarHBondContact O-CG2 3.31Å; V62-V66 PolarHBondContact O-N 3.2Å; V62-M78 HydrophobicContact CG2-CB 4.37Å; V62-M78 HydrophobicContact CG2-CE 3.55Å; V62-M78 HydrophobicContact CG2-CG 4Å
63A75.8Confident76.6Confident70 Ų7038.5 Ų38.558%0.57923%0.227SC*.Hα-helixtrans-57.3-40177.900000112.2V59 T60 M61V59-A63 PolarHBondContact O-N 3.39Å; V59-A63 VanDerWaalsContact O-N 3.1Å; T60-A63 WeakPolarHBondContact O-CB 3.48Å; T60-A63 PolarHBondContact O-N 3.4Å; M61-A63 VanDerWaalsContact C-N 3.28Å; M61-A63 PolarHBondContact O-N 3.38Å
64F72.1Confident76.6Confident71 Ų7137.8 Ų37.831%0.31122%0.223SC..Hα-helixtrans-70.4-42.5175.1-67.7-62000113.3T60 M61 V62 M295T60-F64 WeakPolarHBondContact O-CD2 3.45Å; T60-F64 PolarHBondContact O-N 3.02Å; M61-F64 PolarHBondContact O-N 3.36Å; M61-F64 HydrophobicContact SD-CD2 4.44Å; V62-F64 VanDerWaalsContact C-N 3.26Å; V62-F64 PolarHBondContact O-N 2.94Å; F64-M295 HydrophobicContact CB-CG 4.16Å; F64-M295 HydrophobicContact CD1-CG 4.43Å; F64-M295 WeakPolarHBondContact O-CE 3.4Å
65V72.5Confident76.5Confident11 Ų1138.1 Ų38.17%0.06722%0.224CC..Hα-helixtrans-76.5-27.3-173.5173.50000112.8M61 V62 M67 G68 L69 L74 P195 V198 V199M61-V65 WeakPolarHBondContact O-CB 2.93Å; M61-V65 VanDerWaalsContact O-CG2 3.28Å; M61-V65 WeakPolarHBondContact O-CG2 3.5Å; M61-V65 PolarHBondContact O-N 3.3Å; V62-V65 PolarHBondContact O-N 2.98Å; V62-V65 VanDerWaalsContact O-N 3.17Å; V65-M67 PolarHBondContact O-N 2.9Å; V65-M67 VanDerWaalsContact O-N 3.07Å; V65-G68 PolarHBondContact O-N 3.29Å; V65-L69 PolarHBondContact O-N 3.42Å; V65-L74 HydrophobicContact CG1-CD1 3.88Å; V65-P195 HydrophobicContact CG1-CB 4.31Å; V65-V198 HydrophobicContact CG2-CB 4.39Å; V65-V198 HydrophobicContact CG2-CG1 3.9Å; V65-V199 HydrophobicContact CG2-CG2 4.29Å
66V65.2Low76.7Confident61 Ų6142.2 Ų42.237%0.3725%0.246SC..THydrogen-bonded Turntrans-59.2-22.4179.2167.70000112.4Y14 V62 G68Y14-V66 HydrophobicContact CE1-CG2 3.94Å; Y14-V66 WeakPolarHBondContact OH-CG1 3.14Å; Y14-V66 WeakPolarHBondContact OH-CG2 3.44Å; V62-V66 HydrophobicContact CG1-CG2 3.71Å; V62-V66 WeakPolarHBondContact O-CB 3.37Å; V62-V66 WeakPolarHBondContact O-CG2 3.31Å; V62-V66 PolarHBondContact O-N 3.2Å; V66-G68 VanDerWaalsContact C-N 3.34Å
67M60.7Low76.9Confident160 Ų16040 Ų4079%0.78823%0.234SC*.THydrogen-bonded Turntrans-73-20.4174.1-69.5-76.8-82.200114V65 M295V65-M67 PolarHBondContact O-N 2.9Å; V65-M67 VanDerWaalsContact O-N 3.07Å; M67-M295 HydrophobicContact CB-CE 4.31Å
68G57.9Low76.8Confident23 Ų2340.2 Ų40.224%0.23724%0.235CC..THydrogen-bonded Turntrans-122.7-31.3-163.700000118.6V65 V66V65-G68 PolarHBondContact O-N 3.29Å; V66-G68 VanDerWaalsContact C-N 3.34Å
69L59.3Low76.8Confident46 Ų4643.3 Ų43.324%0.24125%0.251CS..  trans-147.2125.2-172.6-78.9172.9000114.4V65 S71 L74 K111 P195V65-L69 PolarHBondContact O-N 3.42Å; L69-S71 PolarHBondContact O-N 3.2Å; L69-L74 HydrophobicContact CB-CD1 3.47Å; L69-L74 VanDerWaalsContact CB-CD1 3.47Å; L69-L74 HydrophobicContact CD1-CD1 4.14Å; L69-L74 HydrophobicContact CG-CD1 4.44Å; L69-K111 HydrophobicContact CD1-CD 3.7Å; L69-K111 HydrophobicContact CD2-CD 3.84Å; L69-K111 HydrophobicContact CG-CD 4.37Å; L69-P195 HydrophobicContact CB-CB 4.4Å; L69-P195 HydrophobicContact CD1-CB 3.5Å; L69-P195 VanDerWaalsContact CD1-CB 3.5Å; L69-P195 HydrophobicContact CD1-CG 3.53Å; L69-P195 HydrophobicContact CG-CB 4.08Å; L69-P195 HydrophobicContact CG-CG 3.83Å
70S59.9Low77.2Confident84 Ų8441.9 Ų41.959%0.58724%0.242SC*.  trans-93.736.6-177.256.10000114.5Y6Y6-S70 WeakPolarHBondContact OH-CA 3.17Å; Y6-S70 WeakPolarHBondContact OH-CB 3.36Å; Y6-S70 PolarHBondContact OH-O 3.1Å
71S75.6Confident77.5Confident21 Ų2140.3 Ų40.315%0.14723%0.233CC..  trans-97.6127.5-179.661.20000112L69 V73 L74 L107 K111L69-S71 PolarHBondContact O-N 3.2Å; S71-V73 PolarHBondContact O-N 3.37Å; S71-V73 VanDerWaalsContact O-N 3.08Å; S71-L74 WeakPolarHBondContact O-CB 2.85Å; S71-L74 PolarHBondContact O-N 3.23Å; S71-L74 WeakPolarHBondContact OG-CD1 3.42Å; S71-L74 VanDerWaalsContact OG-CG 3.31Å; S71-L74 WeakPolarHBondContact OG-CG 3.43Å; S71-L107 WeakPolarHBondContact OG-CD2 3.31Å; S71-K111 WeakPolarHBondContact OG-CE 3.29Å; S71-K111 PolarHBondContact OG-NZ 3.31Å
72M80.4Confident77.7Confident75 Ų7540.4 Ų40.437%0.36923%0.233SC..Hα-helixtrans-51.5-31.7171-67.5-53.8-156.200113.5Y6 M9 L74 Y75 L76Y6-M72 HydrophobicContact CD2-CE 3.38Å; Y6-M72 HydrophobicContact CD2-SD 4.05Å; Y6-M72 HydrophobicContact CE2-CE 3.76Å; Y6-M72 HydrophobicContact CE2-CG 4.33Å; Y6-M72 HydrophobicContact CE2-SD 3.76Å; Y6-M72 HydrophobicContact CG-CE 4.38Å; M9-M72 HydrophobicContact CB-CE 3.68Å; M9-M72 HydrophobicContact CG-CE 4.04Å; M72-L74 VanDerWaalsContact C-N 3.31Å; M72-L74 PolarHBondContact O-N 3.26Å; M72-Y75 PolarHBondContact O-N 2.88Å; M72-Y75 HydrophobicContact SD-CD2 4.43Å; M72-L76 PolarHBondContact O-N 3.33Å
73V86.6Confident78.3Confident34 Ų3442.1 Ų42.121%0.20624%0.241CC..Hα-helixtrans-66.8-30.1179.4-174.40000113S71 L76 S77 Y106 L107S71-V73 PolarHBondContact O-N 3.37Å; S71-V73 VanDerWaalsContact O-N 3.08Å; V73-L76 WeakPolarHBondContact O-CB 3.42Å; V73-L76 PolarHBondContact O-N 3.37Å; V73-S77 PolarHBondContact O-N 3.27Å; V73-Y106 HydrophobicContact CB-CD1 4.18Å; V73-Y106 HydrophobicContact CB-CE1 4.39Å; V73-Y106 HydrophobicContact CG1-CD1 3.8Å; V73-Y106 HydrophobicContact CG1-CE1 4.46Å; V73-Y106 HydrophobicContact CG2-CD1 3.87Å; V73-Y106 HydrophobicContact CG2-CE1 3.68Å; V73-L107 HydrophobicContact CB-CD2 4.04Å; V73-L107 HydrophobicContact CB-CG 4.21Å; V73-L107 HydrophobicContact CG1-CD1 4.19Å; V73-L107 HydrophobicContact CG1-CD2 4.3Å; V73-L107 HydrophobicContact CG1-CG 3.92Å
74L84.8Confident79Confident5 Ų538.9 Ų38.93%0.02621%0.214CC..Hα-helixtrans-64.3-46.9172.3-82.2166.9000109.8V65 L69 S71 M72 L76 S77 M78 L107 V199V65-L74 HydrophobicContact CG1-CD1 3.88Å; L69-L74 HydrophobicContact CB-CD1 3.47Å; L69-L74 VanDerWaalsContact CB-CD1 3.47Å; L69-L74 HydrophobicContact CD1-CD1 4.14Å; L69-L74 HydrophobicContact CG-CD1 4.44Å; S71-L74 WeakPolarHBondContact O-CB 2.85Å; S71-L74 PolarHBondContact O-N 3.23Å; S71-L74 WeakPolarHBondContact OG-CD1 3.42Å; S71-L74 VanDerWaalsContact OG-CG 3.31Å; S71-L74 WeakPolarHBondContact OG-CG 3.43Å; M72-L74 VanDerWaalsContact C-N 3.31Å; M72-L74 PolarHBondContact O-N 3.26Å; L74-L76 VanDerWaalsContact C-N 3.28Å; L74-L76 PolarHBondContact O-N 3.06Å; L74-S77 WeakPolarHBondContact O-CB 3.04Å; L74-S77 PolarHBondContact O-N 3.38Å; L74-S77 PolarHBondContact O-OG 2.99Å; L74-M78 VanDerWaalsContact O-CG 3.31Å; L74-M78 WeakPolarHBondContact O-CG 3.29Å; L74-M78 PolarHBondContact O-N 2.99Å; L74-L107 HydrophobicContact CB-CD1 4.37Å; L74-L107 HydrophobicContact CD2-CD1 3.4Å; L74-L107 HydrophobicContact CG-CD1 3.57Å; L74-L107 HydrophobicContact CG-CD2 4.11Å; L74-V199 HydrophobicContact CD2-CG2 3.75Å
75Y83.5Confident79.6Confident14 Ų1435.5 Ų35.56%0.05520%0.199CC..Hα-helixtrans-61.3-37.9177.2-64.9-67000112.7K10 I13 Y14 M72 S77 M78 I79K10-Y75 VanDerWaalsContact CE-OH 3.26Å; K10-Y75 WeakPolarHBondContact CE-OH 3.38Å; K10-Y75 HydrophobicContact CG-CE2 4.17Å; I13-Y75 HydrophobicContact CD1-CD1 4Å; I13-Y75 HydrophobicContact CD1-CD2 4.06Å; I13-Y75 HydrophobicContact CD1-CG 3.65Å; I13-Y75 HydrophobicContact CG2-CD1 3.8Å; I13-Y75 HydrophobicContact CG2-CE1 4.36Å; I13-Y75 HydrophobicContact CG2-CG 4.47Å; Y14-Y75 PolarHBondContact OH-OH 3.43Å; M72-Y75 PolarHBondContact O-N 2.88Å; M72-Y75 HydrophobicContact SD-CD2 4.43Å; Y75-S77 VanDerWaalsContact C-N 3.34Å; Y75-S77 PolarHBondContact O-N 3.16Å; Y75-M78 PolarHBondContact O-N 3.21Å; Y75-I79 VanDerWaalsContact O-CG1 3.27Å; Y75-I79 WeakPolarHBondContact O-CG1 3.27Å; Y75-I79 PolarHBondContact O-N 3.18Å
76L88.5Confident80.2Confident87 Ų8735.2 Ų35.246%0.45520%0.198SC..Hα-helixtrans-58.2-46.2172.2-17669.5000111.5M72 V73 L74 M78 I79 S80 L99M72-L76 PolarHBondContact O-N 3.33Å; V73-L76 WeakPolarHBondContact O-CB 3.42Å; V73-L76 PolarHBondContact O-N 3.37Å; L74-L76 VanDerWaalsContact C-N 3.28Å; L74-L76 PolarHBondContact O-N 3.06Å; L76-M78 PolarHBondContact O-N 2.89Å; L76-I79 PolarHBondContact O-N 2.65Å; L76-S80 WeakPolarHBondContact O-CB 3.41Å; L76-S80 PolarHBondContact O-N 3.46Å; L76-S80 PolarHBondContact O-OG 2.87Å; L76-L99 HydrophobicContact CD1-CD2 4.12Å; L76-L99 HydrophobicContact CD2-CD2 4.26Å; L76-L99 HydrophobicContact CG-CD2 3.89Å
77S89.8Confident81.4Confident0 Ų032.4 Ų32.40%018%0.181CC..Hα-helixtrans-59.9-44.6176.7740000111.8V73 L74 Y75 S80 A81 S103 Y203V73-S77 PolarHBondContact O-N 3.27Å; L74-S77 WeakPolarHBondContact O-CB 3.04Å; L74-S77 PolarHBondContact O-N 3.38Å; L74-S77 PolarHBondContact O-OG 2.99Å; Y75-S77 VanDerWaalsContact C-N 3.34Å; Y75-S77 PolarHBondContact O-N 3.16Å; S77-S80 WeakPolarHBondContact CA-OG 3.42Å; S77-S80 PolarHBondContact O-N 3.13Å; S77-S80 PolarHBondContact O-OG 3.3Å; S77-A81 PolarHBondContact O-N 3.49Å; S77-S103 WeakPolarHBondContact CA-OG 3.4Å; S77-S103 WeakPolarHBondContact CB-OG 3.33Å; S77-Y203 VanDerWaalsContact C-OH 3.32Å; S77-Y203 WeakPolarHBondContact CB-OH 3.47Å; S77-Y203 PolarHBondContact O-OH 3.06Å; S77-Y203 PolarHBondContact OG-OH 3.18Å
78M85.9Confident82.7Confident6 Ų624.8 Ų24.83%0.0314%0.143CC..Hα-helixtrans-63.4-47.6178.7-56.5-50-82.700111.8V58 M61 V62 L74 Y75 L76 S80 A81 M82 V199 Y203V58-M78 HydrophobicContact CB-CE 4.38Å; V58-M78 HydrophobicContact CG1-CB 4Å; V58-M78 HydrophobicContact CG1-CE 3.48Å; V58-M78 VanDerWaalsContact CG1-CE 3.48Å; V58-M78 HydrophobicContact CG1-SD 4.35Å; V58-M78 WeakPolarHBondContact O-CE 3.36Å; M61-M78 HydrophobicContact CB-CE 3.63Å; V62-M78 HydrophobicContact CG2-CB 4.37Å; V62-M78 HydrophobicContact CG2-CE 3.55Å; V62-M78 HydrophobicContact CG2-CG 4Å; L74-M78 VanDerWaalsContact O-CG 3.31Å; L74-M78 WeakPolarHBondContact O-CG 3.29Å; L74-M78 PolarHBondContact O-N 2.99Å; Y75-M78 PolarHBondContact O-N 3.21Å; L76-M78 PolarHBondContact O-N 2.89Å; M78-S80 VanDerWaalsContact C-N 3.3Å; M78-S80 PolarHBondContact O-N 2.91Å; M78-A81 WeakPolarHBondContact O-CB 3.3Å; M78-A81 PolarHBondContact O-N 3.35Å; M78-M82 WeakPolarHBondContact O-CG 3.5Å; M78-M82 PolarHBondContact O-N 3.17Å; M78-V199 HydrophobicContact SD-CG2 4.02Å; M78-Y203 HydrophobicContact CE-CD1 4.21Å; M78-Y203 HydrophobicContact CE-CE1 3.85Å; M78-Y203 HydrophobicContact SD-CD1 4.16Å; M78-Y203 HydrophobicContact SD-CE1 3.24Å; M78-Y203 WeakPolarHBondContact SD-CE1 3.49Å
79I87.5Confident84.2Confident66 Ų6627.7 Ų27.734%0.33815%0.149SC..Hα-helixtrans-61.6-43.1179.4-67.2164.4000109.8I13 Y75 L76 A81 M82 M83I13-I79 HydrophobicContact CG1-CD1 4.31Å; Y75-I79 VanDerWaalsContact O-CG1 3.27Å; Y75-I79 WeakPolarHBondContact O-CG1 3.27Å; Y75-I79 PolarHBondContact O-N 3.18Å; L76-I79 PolarHBondContact O-N 2.65Å; I79-A81 VanDerWaalsContact C-N 3.33Å; I79-A81 PolarHBondContact O-N 3.49Å; I79-M82 WeakPolarHBondContact O-CB 3.18Å; I79-M82 PolarHBondContact O-N 3.41Å; I79-M83 HydrophobicContact CG2-CG 4.43Å; I79-M83 VanDerWaalsContact O-CG 3.29Å; I79-M83 WeakPolarHBondContact O-CG 3.41Å; I79-M83 PolarHBondContact O-N 2.99Å
80S91.5Very high85.7Confident2 Ų225.5 Ų25.51%0.01414%0.138CC..Hα-helixtrans-61.1-42177.169.40000112.2L76 S77 M78 M82 M83 V84 L99 S100L76-S80 WeakPolarHBondContact O-CB 3.41Å; L76-S80 PolarHBondContact O-N 3.46Å; L76-S80 PolarHBondContact O-OG 2.87Å; S77-S80 WeakPolarHBondContact CA-OG 3.42Å; S77-S80 PolarHBondContact O-N 3.13Å; S77-S80 PolarHBondContact O-OG 3.3Å; M78-S80 VanDerWaalsContact C-N 3.3Å; M78-S80 PolarHBondContact O-N 2.91Å; S80-M82 PolarHBondContact O-N 2.99Å; S80-M83 PolarHBondContact O-N 3.22Å; S80-M83 VanDerWaalsContact O-N 3.17Å; S80-V84 WeakPolarHBondContact O-CG2 3.34Å; S80-V84 PolarHBondContact O-N 3.08Å; S80-L99 VanDerWaalsContact CB-CD2 3.4Å; S80-S100 WeakPolarHBondContact OG-CA 3.46Å; S80-S100 WeakPolarHBondContact OG-CB 3.48Å; S80-S100 PolarHBondContact OG-N 3.46Å
81A90.3Very high87.3Confident2 Ų224.3 Ų24.32%0.01713%0.125CC..Hα-helixtrans-63.1-39.7175.900000112.9V58 S77 M78 I79 V84 S85 Y203 L207V58-A81 HydrophobicContact CG2-CB 4.06Å; S77-A81 PolarHBondContact O-N 3.49Å; M78-A81 WeakPolarHBondContact O-CB 3.3Å; M78-A81 PolarHBondContact O-N 3.35Å; I79-A81 VanDerWaalsContact C-N 3.33Å; I79-A81 PolarHBondContact O-N 3.49Å; A81-V84 PolarHBondContact O-N 3.48Å; A81-S85 PolarHBondContact O-N 2.94Å; A81-Y203 HydrophobicContact CB-CD2 3.4Å; A81-Y203 HydrophobicContact CB-CE2 3.33Å; A81-Y203 HydrophobicContact CB-CG 4.16Å; A81-L207 HydrophobicContact CB-CD1 3.99Å; A81-L207 HydrophobicContact CB-CD2 4.36Å
82M86.7Confident88.1Confident3 Ų326.6 Ų26.62%0.01514%0.135CC..Hα-helixtrans-58.6-49.4171.8-64.9-60-160.600111L17 L20 V55 V58 V59 M78 I79 S80 V84 S85 V86L17-M82 HydrophobicContact CD2-CE 3.4Å; L17-M82 VanDerWaalsContact CD2-CE 3.4Å; L17-M82 HydrophobicContact CD2-CG 4.33Å; L20-M82 HydrophobicContact CD1-CB 4.42Å; V55-M82 VanDerWaalsContact CA-SD 3.51Å; V55-M82 HydrophobicContact CB-SD 3.88Å; V55-M82 HydrophobicContact CG1-CE 3.96Å; V55-M82 HydrophobicContact CG1-SD 3.82Å; V55-M82 HydrophobicContact CG2-SD 3.74Å; V55-M82 VanDerWaalsContact O-CE 3.3Å; V55-M82 WeakPolarHBondContact O-CE 3.34Å; V58-M82 HydrophobicContact CB-CE 3.45Å; V58-M82 VanDerWaalsContact CB-CE 3.45Å; V58-M82 HydrophobicContact CB-CG 4.43Å; V58-M82 HydrophobicContact CB-SD 3.53Å; V58-M82 VanDerWaalsContact CB-SD 3.53Å; V58-M82 HydrophobicContact CG1-CE 3.39Å; V58-M82 HydrophobicContact CG1-CG 3.93Å; V58-M82 HydrophobicContact CG1-SD 3.65Å; V58-M82 HydrophobicContact CG2-SD 4.15Å; V59-M82 HydrophobicContact CB-CE 4.43Å; V59-M82 HydrophobicContact CG2-CE 3.33Å; M78-M82 WeakPolarHBondContact O-CG 3.5Å; M78-M82 PolarHBondContact O-N 3.17Å; I79-M82 WeakPolarHBondContact O-CB 3.18Å; I79-M82 PolarHBondContact O-N 3.41Å; S80-M82 PolarHBondContact O-N 2.99Å; M82-V84 VanDerWaalsContact C-N 3.3Å; M82-V84 PolarHBondContact O-N 3.01Å; M82-S85 PolarHBondContact O-N 3.34Å; M82-S85 VanDerWaalsContact O-N 3.08Å; M82-S85 PolarHBondContact O-OG 3.32Å; M82-V86 PolarHBondContact O-N 2.88Å
83M89.1Confident88.7Confident44 Ų4423 Ų2322%0.21712%0.117CC..Hα-helixtrans-60.2-40.8-178.3-66.5-62.8-71.400111.7F45 I79 S80 S85 V86 V87 F96F45-M83 HydrophobicContact CE1-CE 3.74Å; F45-M83 HydrophobicContact CE1-SD 4.48Å; F45-M83 HydrophobicContact CZ-CE 4.08Å; I79-M83 HydrophobicContact CG2-CG 4.43Å; I79-M83 VanDerWaalsContact O-CG 3.29Å; I79-M83 WeakPolarHBondContact O-CG 3.41Å; I79-M83 PolarHBondContact O-N 2.99Å; S80-M83 PolarHBondContact O-N 3.22Å; S80-M83 VanDerWaalsContact O-N 3.17Å; M83-S85 PolarHBondContact O-N 2.75Å; M83-V86 PolarHBondContact O-N 3.44Å; M83-V86 VanDerWaalsContact O-N 3.15Å; M83-V87 HydrophobicContact CB-CG2 4.44Å; M83-V87 HydrophobicContact CE-CG2 4.31Å; M83-V87 WeakPolarHBondContact O-CB 3.25Å; M83-V87 WeakPolarHBondContact O-CG2 3.28Å; M83-V87 PolarHBondContact O-N 3.01Å; M83-F96 HydrophobicContact CB-CB 4.18Å; M83-F96 HydrophobicContact CB-CD1 4.01Å; M83-F96 HydrophobicContact CB-CD2 3.74Å; M83-F96 HydrophobicContact CB-CE1 4.33Å; M83-F96 HydrophobicContact CB-CE2 4.08Å; M83-F96 HydrophobicContact CB-CG 3.72Å; M83-F96 HydrophobicContact CB-CZ 4.36Å; M83-F96 HydrophobicContact CE-CE2 3.91Å; M83-F96 HydrophobicContact CE-CZ 3.99Å; M83-F96 HydrophobicContact CG-CD1 4.38Å; M83-F96 HydrophobicContact CG-CE1 4.29Å; M83-F96 HydrophobicContact CG-CE2 4.48Å; M83-F96 HydrophobicContact CG-CZ 4.35Å
84V90.8Very high89.1Confident1 Ų124.1 Ų24.11%0.00612%0.117CC..Hα-helixtrans-55.3-40.2175.5174.90000112S80 A81 M82 V86 F93 F96 Y97 L207S80-V84 WeakPolarHBondContact O-CG2 3.34Å; S80-V84 PolarHBondContact O-N 3.08Å; A81-V84 PolarHBondContact O-N 3.48Å; M82-V84 VanDerWaalsContact C-N 3.3Å; M82-V84 PolarHBondContact O-N 3.01Å; V84-V86 VanDerWaalsContact C-N 3.31Å; V84-V86 PolarHBondContact O-N 3.35Å; V84-F93 HydrophobicContact CG1-CD2 3.77Å; V84-F93 HydrophobicContact CG1-CE2 3.33Å; V84-F93 HydrophobicContact CG1-CZ 3.98Å; V84-F96 VanDerWaalsContact CG2-C 3.45Å; V84-F96 HydrophobicContact CG2-CB 3.67Å; V84-Y97 HydrophobicContact CG1-CD2 4.02Å; V84-Y97 VanDerWaalsContact CG2-N 3.29Å; V84-L207 HydrophobicContact CB-CD2 4.08Å; V84-L207 HydrophobicContact CG1-CD2 3.87Å
85S84.9Confident89.5Confident0 Ų028.7 Ų28.70%014%0.137CC..Hα-helixtrans-69.8-26.1-178.371.60000114.4S51 V55 A81 M82 M83 R214S51-S85 VanDerWaalsContact CB-O 3.31Å; S51-S85 WeakPolarHBondContact CB-O 3.42Å; V55-S85 WeakPolarHBondContact CG2-OG 3.4Å; A81-S85 PolarHBondContact O-N 2.94Å; M82-S85 PolarHBondContact O-N 3.34Å; M82-S85 VanDerWaalsContact O-N 3.08Å; M82-S85 PolarHBondContact O-OG 3.32Å; M83-S85 PolarHBondContact O-N 2.75Å; S85-R214 PolarHBondContact O-NH2 2.8Å
86V86.3Confident90.1Very high5 Ų530 Ų303%0.0314%0.144CC..Hα-helixtrans-103.3-29.1-172.7-177.20000112.6W23 F45 M46 V55 M82 M83 V84W23-V86 HydrophobicContact CH2-CG1 3.78Å; W23-V86 HydrophobicContact CZ3-CG1 3.48Å; W23-V86 VanDerWaalsContact CZ3-CG1 3.48Å; W23-V86 HydrophobicContact CZ3-CG2 4.46Å; F45-V86 CarbonylContact C-O 3.58Å; F45-V86 WeakPolarHBondContact CA-O 3.02Å; F45-V86 HydrophobicContact CB-CG1 3.72Å; F45-V86 HydrophobicContact CD1-CB 4.3Å; F45-V86 HydrophobicContact CD1-CG1 3.49Å; F45-V86 VanDerWaalsContact CD1-CG1 3.49Å; F45-V86 HydrophobicContact CE1-CG1 4.36Å; F45-V86 HydrophobicContact CG-CG1 3.89Å; M46-V86 WeakPolarHBondContact CB-O 3.31Å; M46-V86 WeakPolarHBondContact CG-O 3.43Å; M46-V86 PolarHBondContact N-O 3.45Å; V55-V86 HydrophobicContact CG2-CG2 4.27Å; M82-V86 PolarHBondContact O-N 2.88Å; M83-V86 PolarHBondContact O-N 3.44Å; M83-V86 VanDerWaalsContact O-N 3.15Å; V84-V86 VanDerWaalsContact C-N 3.31Å; V84-V86 PolarHBondContact O-N 3.35Å
87V89.2Confident90.3Very high2 Ų226 Ų261%0.01212%0.123CC..BIsolated β-bridgetrans-68.4135.3-171.3164.60000112.9F45 M46 M83 K89 L92 F93 F96 M151F45-V87 HydrophobicContact CD1-CG2 4.44Å; F45-V87 HydrophobicContact CE1-CG2 4.27Å; M46-V87 WeakPolarHBondContact CE-O 3.28Å; M83-V87 HydrophobicContact CB-CG2 4.44Å; M83-V87 HydrophobicContact CE-CG2 4.31Å; M83-V87 WeakPolarHBondContact O-CB 3.25Å; M83-V87 WeakPolarHBondContact O-CG2 3.28Å; M83-V87 PolarHBondContact O-N 3.01Å; V87-K89 VanDerWaalsContact CG1-O 3.31Å; V87-K89 WeakPolarHBondContact CG1-O 3.46Å; V87-L92 HydrophobicContact CG1-CB 3.45Å; V87-L92 VanDerWaalsContact CG1-CB 3.45Å; V87-F93 HydrophobicContact CG1-CB 4.32Å; V87-F96 HydrophobicContact CG2-CD2 4.21Å; V87-F96 HydrophobicContact CG2-CE2 4.37Å; V87-M151 WeakPolarHBondContact O-CE 3.39Å
88N87.6Confident90.5Very high1 Ų126.5 Ų26.51%0.00513%0.125CC..  trans-90.9-29.5174.3-169.514.5000114.2M41 L44 M46 A90 M151 L152M41-N88 HydrophobicContact CE-CB 3.83Å; M41-N88 WeakPolarHBondContact CE-ND2 3.37Å; M41-N88 HydrophobicContact SD-CB 4.44Å; M41-N88 PolarHBondContact SD-ND2 3.21Å; L44-N88 PolarHBondContact O-N 3.09Å; M46-N88 HydrophobicContact CG-CB 3.61Å; M46-N88 HydrophobicContact SD-CB 4.03Å; N88-A90 PolarHBondContact O-N 2.85Å; N88-M151 VanDerWaalsContact O-CE 3.29Å; N88-M151 WeakPolarHBondContact O-CE 3.21Å; N88-M151 WeakPolarHBondContact O-CG 3.48Å; N88-M151 PolarHBondContact O-N 3.29Å; N88-M151 PolarHBondContact OD1-N 2.98Å; N88-L152 PolarHBondContact OD1-N 3.47Å
89K90.5Very high90.9Very high83 Ų8328.3 Ų28.336%0.36113%0.134SC..BIsolated β-bridgetrans-78.2123.2-177.1-69-173.8174-1790110.5L44 V87 L91 L92 F93 F149L44-K89 HydrophobicContact CD2-CD 4.01Å; V87-K89 VanDerWaalsContact CG1-O 3.31Å; V87-K89 WeakPolarHBondContact CG1-O 3.46Å; K89-L91 VanDerWaalsContact C-N 3.31Å; K89-L91 PolarHBondContact O-N 2.91Å; K89-L92 HydrophobicContact CB-CB 4.22Å; K89-L92 HydrophobicContact CB-CD1 4.13Å; K89-L92 HydrophobicContact CB-CG 4.3Å; K89-L92 HydrophobicContact CD-CD1 4.1Å; K89-L92 PolarHBondContact O-N 3.34Å; K89-L92 VanDerWaalsContact O-N 3.09Å; K89-F93 PolarHBondContact O-N 3.15Å; K89-F149 CarbonylContact C-O 3.55Å; K89-F149 WeakPolarHBondContact CA-O 3.21Å
90A90.5Very high91.1Very high0 Ų025.1 Ų25.10%012%0.118CC..Hα-helixtrans-57.7-38.3-175.900000113.8N88 F93 W94 I139 F149 M151 W154N88-A90 PolarHBondContact O-N 2.85Å; A90-F93 WeakPolarHBondContact O-CB 3.44Å; A90-F93 PolarHBondContact O-N 3.35Å; A90-W94 PolarHBondContact O-N 2.64Å; A90-I139 HydrophobicContact CB-CG2 3.86Å; A90-F149 PolarHBondContact N-O 3.16Å; A90-M151 HydrophobicContact CB-CG 3.72Å; A90-M151 HydrophobicContact CB-SD 4.35Å; A90-W154 HydrophobicContact CB-CH2 3.21Å; A90-W154 HydrophobicContact CB-CZ2 3.71Å; A90-W154 HydrophobicContact CB-CZ3 3.79Å
91L92.8Very high91.1Very high60 Ų6025.9 Ų25.931%0.31412%0.121SC..Hα-helixtrans-66.6-41.4176.2-73.7177.5000113.1K89 F93 W94 F95 L136 I139 L140 F149K89-L91 VanDerWaalsContact C-N 3.31Å; K89-L91 PolarHBondContact O-N 2.91Å; L91-F93 VanDerWaalsContact C-N 3.32Å; L91-W94 PolarHBondContact O-N 3.49Å; L91-F95 WeakPolarHBondContact O-CB 3.19Å; L91-F95 PolarHBondContact O-N 2.8Å; L91-L136 HydrophobicContact CD2-CD1 4.07Å; L91-I139 HydrophobicContact CD2-CG2 4.18Å; L91-L140 HydrophobicContact CD2-CD2 3.86Å; L91-F149 HydrophobicContact CD1-CD1 3.62Å; L91-F149 HydrophobicContact CD1-CD2 4.5Å; L91-F149 HydrophobicContact CD1-CE1 3.31Å; L91-F149 HydrophobicContact CD1-CE2 4.25Å; L91-F149 HydrophobicContact CD1-CG 4.21Å; L91-F149 HydrophobicContact CD1-CZ 3.66Å; L91-F149 HydrophobicContact CD2-CE1 4.36Å; L91-F149 HydrophobicContact CG-CD1 3.64Å; L91-F149 HydrophobicContact CG-CE1 3.67Å; L91-F149 HydrophobicContact CG-CG 4.45Å; L91-F149 HydrophobicContact CG-CZ 4.5Å
92L93Very high91.3Very high68 Ų6830.4 Ų30.436%0.35615%0.145SC..Hα-helixtrans-68.6-37.2176.2-74.5176000110.6V87 K89 F95 F96V87-L92 HydrophobicContact CG1-CB 3.45Å; V87-L92 VanDerWaalsContact CG1-CB 3.45Å; K89-L92 HydrophobicContact CB-CB 4.22Å; K89-L92 HydrophobicContact CB-CD1 4.13Å; K89-L92 HydrophobicContact CB-CG 4.3Å; K89-L92 HydrophobicContact CD-CD1 4.1Å; K89-L92 PolarHBondContact O-N 3.34Å; K89-L92 VanDerWaalsContact O-N 3.09Å; L92-F95 PolarHBondContact O-N 3.45Å; L92-F96 HydrophobicContact CD2-CE2 4.35Å; L92-F96 WeakPolarHBondContact O-CD2 3.19Å; L92-F96 PolarHBondContact O-N 3.43Å
93F92.5Very high91.5Very high0 Ų030.6 Ų30.60%015%0.146CC..Hα-helixtrans-56.1-53.3172.2171.6-86.6000110.1V84 V87 K89 A90 L91 F95 F96 Y97 M151 F172 V210 G211 V215V84-F93 HydrophobicContact CG1-CD2 3.77Å; V84-F93 HydrophobicContact CG1-CE2 3.33Å; V84-F93 HydrophobicContact CG1-CZ 3.98Å; V87-F93 HydrophobicContact CG1-CB 4.32Å; K89-F93 PolarHBondContact O-N 3.15Å; A90-F93 WeakPolarHBondContact O-CB 3.44Å; A90-F93 PolarHBondContact O-N 3.35Å; L91-F93 VanDerWaalsContact C-N 3.32Å; F93-F95 PolarHBondContact O-N 3.38Å; F93-F96 PolarHBondContact O-N 3.34Å; F93-Y97 HydrophobicContact CE1-CD2 4.14Å; F93-Y97 AromaticContact CZ-CD2 3.87Å; F93-Y97 HydrophobicContact CZ-CD2 3.87Å; F93-Y97 HydrophobicContact CZ-CE2 4.48Å; F93-Y97 WeakPolarHBondContact O-CB 3.36Å; F93-Y97 PolarHBondContact O-N 3.22Å; F93-M151 HydrophobicContact CB-CE 3.94Å; F93-M151 HydrophobicContact CB-SD 4.14Å; F93-M151 HydrophobicContact CD2-CE 4.16Å; F93-M151 HydrophobicContact CD2-SD 4.4Å; F93-M151 HydrophobicContact CG-CE 4.19Å; F93-M151 HydrophobicContact CG-SD 4.11Å; F93-F172 AromaticContact CE1-CE1 3.98Å; F93-F172 HydrophobicContact CE1-CE1 3.98Å; F93-F172 AromaticContact CE1-CZ 3.85Å; F93-F172 HydrophobicContact CE1-CZ 3.85Å; F93-F172 HydrophobicContact CZ-CE1 4.31Å; F93-F172 HydrophobicContact CZ-CZ 4.39Å; F93-V210 HydrophobicContact CE2-CG1 4.34Å; F93-G211 VanDerWaalsContact CZ-CA 3.46Å; F93-V215 HydrophobicContact CD1-CG2 4.48Å; F93-V215 HydrophobicContact CE1-CG2 4.35Å
94W94.5Very high91.6Very high57 Ų5728.6 Ų28.622%0.21614%0.136CC..Hα-helixtrans-58.2-45.3177.8178.591.3000112.8A90 L91 Y97 E98 G132 L136 I139A90-W94 PolarHBondContact O-N 2.64Å; L91-W94 PolarHBondContact O-N 3.49Å; W94-Y97 WeakPolarHBondContact O-CB 3.42Å; W94-Y97 PolarHBondContact O-N 3.17Å; W94-E98 HydrophobicContact CD2-CG 4.18Å; W94-E98 HydrophobicContact CZ2-CG 3.9Å; W94-E98 PolarHBondContact O-N 2.96Å; W94-G132 PolarHBondContact NE1-O 3.46Å; W94-L136 HydrophobicContact CD2-CB 4.37Å; W94-L136 HydrophobicContact CD2-CD1 3.67Å; W94-L136 HydrophobicContact CD2-CG 4.48Å; W94-L136 HydrophobicContact CE3-CD1 3.82Å; W94-L136 HydrophobicContact CG-CD1 4.07Å; W94-L136 HydrophobicContact CH2-CD1 4.37Å; W94-L136 HydrophobicContact CH2-CD2 3.92Å; W94-L136 HydrophobicContact CZ2-CB 3.95Å; W94-L136 HydrophobicContact CZ2-CD1 4.24Å; W94-L136 HydrophobicContact CZ2-CD2 3.91Å; W94-L136 HydrophobicContact CZ2-CG 4.25Å; W94-L136 HydrophobicContact CZ3-CD1 4.17Å; W94-L136 HydrophobicContact CZ3-CD2 4.37Å; W94-I139 HydrophobicContact CB-CD1 3.95Å; W94-I139 HydrophobicContact CG-CD1 4.36Å
95F95.1Very high91.7Very high101 Ų10129.9 Ų29.944%0.44314%0.143SC..Hα-helixtrans-60.3-51.8-179.2173.1-97.9000112.3L91 L92 F93 Y97 L99L91-F95 WeakPolarHBondContact O-CB 3.19Å; L91-F95 PolarHBondContact O-N 2.8Å; L92-F95 PolarHBondContact O-N 3.45Å; F93-F95 PolarHBondContact O-N 3.38Å; F95-Y97 VanDerWaalsContact C-N 3.27Å; F95-Y97 PolarHBondContact O-N 2.88Å; F95-L99 HydrophobicContact CE1-CD1 3.9Å; F95-L99 HydrophobicContact CE2-CD1 4.43Å; F95-L99 HydrophobicContact CZ-CD1 3.69Å; F95-L99 WeakPolarHBondContact O-CB 3.31Å; F95-L99 PolarHBondContact O-N 3.17Å
96F94.5Very high92Very high43 Ų4335.1 Ų35.119%0.18916%0.164CC..Hα-helixtrans-69.1-30.8179.2-71.3-62.5000112.1M83 V84 V87 L92 F93 S100M83-F96 HydrophobicContact CB-CB 4.18Å; M83-F96 HydrophobicContact CB-CD1 4.01Å; M83-F96 HydrophobicContact CB-CD2 3.74Å; M83-F96 HydrophobicContact CB-CE1 4.33Å; M83-F96 HydrophobicContact CB-CE2 4.08Å; M83-F96 HydrophobicContact CB-CG 3.72Å; M83-F96 HydrophobicContact CB-CZ 4.36Å; M83-F96 HydrophobicContact CE-CE2 3.91Å; M83-F96 HydrophobicContact CE-CZ 3.99Å; M83-F96 HydrophobicContact CG-CD1 4.38Å; M83-F96 HydrophobicContact CG-CE1 4.29Å; M83-F96 HydrophobicContact CG-CE2 4.48Å; M83-F96 HydrophobicContact CG-CZ 4.35Å; V84-F96 VanDerWaalsContact CG2-C 3.45Å; V84-F96 HydrophobicContact CG2-CB 3.67Å; V87-F96 HydrophobicContact CG2-CD2 4.21Å; V87-F96 HydrophobicContact CG2-CE2 4.37Å; L92-F96 HydrophobicContact CD2-CE2 4.35Å; L92-F96 WeakPolarHBondContact O-CD2 3.19Å; L92-F96 PolarHBondContact O-N 3.43Å; F93-F96 PolarHBondContact O-N 3.34Å; F96-S100 PolarHBondContact O-N 3.4Å
97Y93Very high92.2Very high3 Ų334.9 Ų34.91%0.01216%0.162CC..Hα-helixtrans-62.2-53.5175.4-173.2-76.4000111V84 F93 W94 F95 L99 S100 I101 K175 L207 G208V84-Y97 HydrophobicContact CG1-CD2 4.02Å; V84-Y97 VanDerWaalsContact CG2-N 3.29Å; F93-Y97 HydrophobicContact CE1-CD2 4.14Å; F93-Y97 AromaticContact CZ-CD2 3.87Å; F93-Y97 HydrophobicContact CZ-CD2 3.87Å; F93-Y97 HydrophobicContact CZ-CE2 4.48Å; F93-Y97 WeakPolarHBondContact O-CB 3.36Å; F93-Y97 PolarHBondContact O-N 3.22Å; W94-Y97 WeakPolarHBondContact O-CB 3.42Å; W94-Y97 PolarHBondContact O-N 3.17Å; F95-Y97 VanDerWaalsContact C-N 3.27Å; F95-Y97 PolarHBondContact O-N 2.88Å; Y97-L99 PolarHBondContact O-N 3.23Å; Y97-S100 PolarHBondContact O-N 2.84Å; Y97-S100 PolarHBondContact O-OG 2.98Å; Y97-I101 HydrophobicContact CD1-CD1 3.99Å; Y97-I101 HydrophobicContact CE1-CD1 3.46Å; Y97-I101 VanDerWaalsContact CE1-CD1 3.46Å; Y97-I101 HydrophobicContact CE1-CG1 4.37Å; Y97-I101 PolarHBondContact O-N 3.01Å; Y97-K175 HydrophobicContact CD1-CD 4.46Å; Y97-K175 HydrophobicContact CE1-CD 3.28Å; Y97-K175 VanDerWaalsContact CZ-CD 3.49Å; Y97-K175 WeakPolarHBondContact OH-CB 3.27Å; Y97-K175 WeakPolarHBondContact OH-CD 3.29Å; Y97-L207 HydrophobicContact CD2-CB 4.15Å; Y97-L207 HydrophobicContact CE2-CB 3.63Å; Y97-L207 WeakPolarHBondContact CE2-O 3.14Å; Y97-G208 WeakPolarHBondContact OH-CA 3.34Å; Y97-G208 PolarHBondContact OH-N 3.42Å
98E93.9Very high92.4Very high10 Ų1034.9 Ų34.95%0.04716%0.162CC..Hα-helixtrans-67.1-36.3178-69.9-57.6154.300112.2W94 S100 I101 I102 G132 K175W94-E98 HydrophobicContact CD2-CG 4.18Å; W94-E98 HydrophobicContact CZ2-CG 3.9Å; W94-E98 PolarHBondContact O-N 2.96Å; E98-S100 PolarHBondContact O-N 3.41Å; E98-I101 PolarHBondContact O-N 3.39Å; E98-I102 HydrophobicContact CB-CD1 4.44Å; E98-I102 WeakPolarHBondContact O-CB 3.45Å; E98-I102 VanDerWaalsContact O-CG1 3.27Å; E98-I102 WeakPolarHBondContact O-CG1 3.36Å; E98-I102 PolarHBondContact O-N 2.97Å; E98-G132 VanDerWaalsContact OE1-CA 3.24Å; E98-G132 WeakPolarHBondContact OE1-CA 3.5Å; E98-K175 IonicContact OE1-NZ 2.64Å; E98-K175 PolarHBondContact OE1-NZ 3.38Å
99L94Very high92.6Very high43 Ų4337.2 Ų37.223%0.22518%0.177CC..Hα-helixtrans-61.3-34.4176.4-170.4142.5000112.1L76 S80 F95 Y97 S103L76-L99 HydrophobicContact CD1-CD2 4.12Å; L76-L99 HydrophobicContact CD2-CD2 4.26Å; L76-L99 HydrophobicContact CG-CD2 3.89Å; S80-L99 VanDerWaalsContact CB-CD2 3.4Å; F95-L99 HydrophobicContact CE1-CD1 3.9Å; F95-L99 HydrophobicContact CE2-CD1 4.43Å; F95-L99 HydrophobicContact CZ-CD1 3.69Å; F95-L99 WeakPolarHBondContact O-CB 3.31Å; F95-L99 PolarHBondContact O-N 3.17Å; Y97-L99 PolarHBondContact O-N 3.23Å; L99-S103 VanDerWaalsContact O-CB 3.31Å; L99-S103 WeakPolarHBondContact O-CB 3.32Å; L99-S103 PolarHBondContact O-N 2.97Å; L99-S103 PolarHBondContact O-OG 2.86Å
100S92.5Very high92.6Very high0 Ų039.7 Ų39.70%019%0.187CC..Hα-helixtrans-64.7-39.1173.479.10000112.3S80 F96 Y97 E98 S103 A104 M204 L207S80-S100 WeakPolarHBondContact OG-CA 3.46Å; S80-S100 WeakPolarHBondContact OG-CB 3.48Å; S80-S100 PolarHBondContact OG-N 3.46Å; F96-S100 PolarHBondContact O-N 3.4Å; Y97-S100 PolarHBondContact O-N 2.84Å; Y97-S100 PolarHBondContact O-OG 2.98Å; E98-S100 PolarHBondContact O-N 3.41Å; S100-S103 PolarHBondContact O-OG 2.92Å; S100-A104 PolarHBondContact O-N 3.16Å; S100-M204 WeakPolarHBondContact OG-CE 3.39Å; S100-L207 WeakPolarHBondContact OG-CD1 3.31Å
101I91.7Very high92.5Very high17 Ų1741.6 Ų41.69%0.08720%0.195CC..Hα-helixtrans-74.6-45.2179.8-56166.2000110.8Y97 E98 S103 A104 L105 M124 V128 K175 M204Y97-I101 HydrophobicContact CD1-CD1 3.99Å; Y97-I101 HydrophobicContact CE1-CD1 3.46Å; Y97-I101 VanDerWaalsContact CE1-CD1 3.46Å; Y97-I101 HydrophobicContact CE1-CG1 4.37Å; Y97-I101 PolarHBondContact O-N 3.01Å; E98-I101 PolarHBondContact O-N 3.39Å; I101-S103 VanDerWaalsContact C-N 3.27Å; I101-S103 PolarHBondContact O-N 3.49Å; I101-A104 WeakPolarHBondContact O-CB 3.31Å; I101-A104 PolarHBondContact O-N 3.45Å; I101-A104 VanDerWaalsContact O-N 3.16Å; I101-L105 WeakPolarHBondContact O-CB 3.45Å; I101-L105 PolarHBondContact O-N 3.16Å; I101-M124 HydrophobicContact CG2-CE 3.54Å; I101-V128 HydrophobicContact CB-CG2 4.28Å; I101-V128 HydrophobicContact CG2-CG2 3.36Å; I101-K175 HydrophobicContact CD1-CD 4.26Å; I101-M204 VanDerWaalsContact CA-CE 3.42Å; I101-M204 HydrophobicContact CB-CE 3.8Å; I101-M204 HydrophobicContact CD1-CE 4.5Å; I101-M204 HydrophobicContact CG1-CE 3.19Å; I101-M204 HydrophobicContact CG2-CE 4.33Å
102I93.5Very high92.3Very high98 Ų9838.8 Ų38.850%0.50318%0.181SC..Hα-helixtrans-61.3-39.5179.9-66.4167.1000110.6E98 L105 Y106E98-I102 HydrophobicContact CB-CD1 4.44Å; E98-I102 WeakPolarHBondContact O-CB 3.45Å; E98-I102 VanDerWaalsContact O-CG1 3.27Å; E98-I102 WeakPolarHBondContact O-CG1 3.36Å; E98-I102 PolarHBondContact O-N 2.97Å; I102-L105 WeakPolarHBondContact O-CB 3.41Å; I102-L105 PolarHBondContact O-N 3.47Å; I102-Y106 PolarHBondContact O-N 3.43Å
103S92.2Very high92Very high6 Ų642.5 Ų42.54%0.04220%0.201CC..Hα-helixtrans-66.8-39.4176.254.90000112.6S77 L99 S100 I101 Y106 L107S77-S103 WeakPolarHBondContact CA-OG 3.4Å; S77-S103 WeakPolarHBondContact CB-OG 3.33Å; L99-S103 VanDerWaalsContact O-CB 3.31Å; L99-S103 WeakPolarHBondContact O-CB 3.32Å; L99-S103 PolarHBondContact O-N 2.97Å; L99-S103 PolarHBondContact O-OG 2.86Å; S100-S103 PolarHBondContact O-OG 2.92Å; I101-S103 VanDerWaalsContact C-N 3.27Å; I101-S103 PolarHBondContact O-N 3.49Å; S103-Y106 PolarHBondContact O-N 3.33Å; S103-L107 WeakPolarHBondContact O-CD1 3.2Å; S103-L107 VanDerWaalsContact O-CG 3.29Å; S103-L107 WeakPolarHBondContact O-CG 3.32Å; S103-L107 PolarHBondContact O-N 2.87Å; S103-L107 VanDerWaalsContact O-N 3.1Å
104A89.9Confident91.8Very high2 Ų245.1 Ų45.12%0.01721%0.211CC..Hα-helixtrans-63.7-40172.200000112.3S100 I101 L107 L108 M124S100-A104 PolarHBondContact O-N 3.16Å; I101-A104 WeakPolarHBondContact O-CB 3.31Å; I101-A104 PolarHBondContact O-N 3.45Å; I101-A104 VanDerWaalsContact O-N 3.16Å; A104-L107 WeakPolarHBondContact O-CB 3.44Å; A104-L107 PolarHBondContact O-N 3.07Å; A104-L108 PolarHBondContact O-N 2.74Å; A104-M124 HydrophobicContact CB-CE 4.11Å
105L92.6Very high91.6Very high29 Ų2947.6 Ų47.615%0.15223%0.234CC..Hα-helixtrans-62.2-46.5176.1-168.2154.6000111.7I101 I102 L107 L108 V109 M124 I125I101-L105 WeakPolarHBondContact O-CB 3.45Å; I101-L105 PolarHBondContact O-N 3.16Å; I102-L105 WeakPolarHBondContact O-CB 3.41Å; I102-L105 PolarHBondContact O-N 3.47Å; L105-L107 VanDerWaalsContact C-N 3.27Å; L105-L107 PolarHBondContact O-N 2.9Å; L105-L108 WeakPolarHBondContact O-CB 3.26Å; L105-L108 PolarHBondContact O-N 2.7Å; L105-V109 HydrophobicContact CD2-CG2 4.34Å; L105-V109 PolarHBondContact O-N 3.02Å; L105-V109 VanDerWaalsContact O-N 3.09Å; L105-M124 HydrophobicContact CB-CE 3.95Å; L105-M124 HydrophobicContact CB-SD 3.87Å; L105-M124 HydrophobicContact CD1-CB 4.27Å; L105-M124 HydrophobicContact CD1-CG 4Å; L105-M124 HydrophobicContact CD1-SD 4.2Å; L105-M124 HydrophobicContact CG-CG 4.44Å; L105-M124 HydrophobicContact CG-SD 4.01Å; L105-I125 HydrophobicContact CD1-CB 4.5Å; L105-I125 HydrophobicContact CD1-CG1 3.59Å; L105-I125 HydrophobicContact CD2-CG1 4.29Å; L105-I125 HydrophobicContact CG-CG1 4.46Å
106Y92.9Very high91.4Very high109 Ų10948 Ų4843%0.42724%0.238SC..Hα-helixtrans-57.6-42174.3175.4-92000111.7V73 I102 S103 V109 K110V73-Y106 HydrophobicContact CB-CD1 4.18Å; V73-Y106 HydrophobicContact CB-CE1 4.39Å; V73-Y106 HydrophobicContact CG1-CD1 3.8Å; V73-Y106 HydrophobicContact CG1-CE1 4.46Å; V73-Y106 HydrophobicContact CG2-CD1 3.87Å; V73-Y106 HydrophobicContact CG2-CE1 3.68Å; I102-Y106 PolarHBondContact O-N 3.43Å; S103-Y106 PolarHBondContact O-N 3.33Å; Y106-V109 PolarHBondContact O-N 2.93Å; Y106-K110 HydrophobicContact CE1-CB 4.4Å; Y106-K110 HydrophobicContact CE1-CD 3.57Å; Y106-K110 VanDerWaalsContact O-CB 3.29Å; Y106-K110 WeakPolarHBondContact O-CB 2.99Å; Y106-K110 PolarHBondContact O-N 2.79Å; Y106-K110 WeakPolarHBondContact OH-CD 3.39Å; Y106-K110 PolarHBondContact OH-NZ 3.22Å; Y106-K110 VanDerWaalsContact OH-NZ 3.1Å
107L90.5Very high91.2Very high1 Ų149 Ų491%0.00524%0.24CC..Hα-helixtrans-67.3-37.5178.4-73.3166.3000112.8S71 V73 L74 S103 A104 L105 K111 V196S71-L107 WeakPolarHBondContact OG-CD2 3.31Å; V73-L107 HydrophobicContact CB-CD2 4.04Å; V73-L107 HydrophobicContact CB-CG 4.21Å; V73-L107 HydrophobicContact CG1-CD1 4.19Å; V73-L107 HydrophobicContact CG1-CD2 4.3Å; V73-L107 HydrophobicContact CG1-CG 3.92Å; L74-L107 HydrophobicContact CB-CD1 4.37Å; L74-L107 HydrophobicContact CD2-CD1 3.4Å; L74-L107 HydrophobicContact CG-CD1 3.57Å; L74-L107 HydrophobicContact CG-CD2 4.11Å; S103-L107 WeakPolarHBondContact O-CD1 3.2Å; S103-L107 VanDerWaalsContact O-CG 3.29Å; S103-L107 WeakPolarHBondContact O-CG 3.32Å; S103-L107 PolarHBondContact O-N 2.87Å; S103-L107 VanDerWaalsContact O-N 3.1Å; A104-L107 WeakPolarHBondContact O-CB 3.44Å; A104-L107 PolarHBondContact O-N 3.07Å; L105-L107 VanDerWaalsContact C-N 3.27Å; L105-L107 PolarHBondContact O-N 2.9Å; L107-K111 HydrophobicContact CD2-CD 4.13Å; L107-K111 WeakPolarHBondContact O-CB 3.15Å; L107-K111 PolarHBondContact O-N 3.44Å; L107-V196 HydrophobicContact CB-CG1 4.42Å; L107-V196 HydrophobicContact CB-CG2 3.76Å
108L92Very high91.2Very high1 Ų154.8 Ų54.81%0.00526%0.263CS..Hα-helixtrans-58.3-53.2173.4-179.7152.6000110.2A104 L105 K110 S112 R117 M124 V188A104-L108 PolarHBondContact O-N 2.74Å; L105-L108 WeakPolarHBondContact O-CB 3.26Å; L105-L108 PolarHBondContact O-N 2.7Å; L108-K110 PolarHBondContact O-N 3.04Å; L108-S112 WeakPolarHBondContact O-CB 3.04Å; L108-S112 PolarHBondContact O-N 2.59Å; L108-S112 VanDerWaalsContact O-N 3.13Å; L108-S112 PolarHBondContact O-OG 3.14Å; L108-R117 HydrophobicContact CD2-CB 4.46Å; L108-M124 HydrophobicContact CD1-SD 4.46Å; L108-V188 HydrophobicContact CD1-CB 4.47Å; L108-V188 HydrophobicContact CD1-CG1 3.6Å
109V92.8Very high91.2Very high51 Ų5158.3 Ų58.331%0.30929%0.285SS..Hα-helixtrans-64.4-42.6-177.2177.30000111.5L105 Y106L105-V109 HydrophobicContact CD2-CG2 4.34Å; L105-V109 PolarHBondContact O-N 3.02Å; L105-V109 VanDerWaalsContact O-N 3.09Å; Y106-V109 PolarHBondContact O-N 2.93Å
110K91.1Very high91.2Very high134 Ų13456.4 Ų56.458%0.58328%0.275SS*.Hα-helixtrans-74.5-36.5-174.7-175.2172.2-173.9171.80114Y106 L108Y106-K110 HydrophobicContact CE1-CB 4.4Å; Y106-K110 HydrophobicContact CE1-CD 3.57Å; Y106-K110 VanDerWaalsContact O-CB 3.29Å; Y106-K110 WeakPolarHBondContact O-CB 2.99Å; Y106-K110 PolarHBondContact O-N 2.79Å; Y106-K110 WeakPolarHBondContact OH-CD 3.39Å; Y106-K110 PolarHBondContact OH-NZ 3.22Å; Y106-K110 VanDerWaalsContact OH-NZ 3.1Å; L108-K110 PolarHBondContact O-N 3.04Å
111K87.8Confident91.2Very high40 Ų4056.8 Ų56.817%0.17428%0.278CS..Hα-helixtrans-109.3-16.2-168-62.4-169.8-178.3169.30115.4L69 S71 L107L69-K111 HydrophobicContact CD1-CD 3.7Å; L69-K111 HydrophobicContact CD2-CD 3.84Å; L69-K111 HydrophobicContact CG-CD 4.37Å; S71-K111 WeakPolarHBondContact OG-CE 3.29Å; S71-K111 PolarHBondContact OG-NZ 3.31Å; L107-K111 HydrophobicContact CD2-CD 4.13Å; L107-K111 WeakPolarHBondContact O-CB 3.15Å; L107-K111 PolarHBondContact O-N 3.44Å
112S89Confident91.3Very high2 Ų264.8 Ų64.81%0.01431%0.307CS..  trans-66.9137.9175.655.10000110.1L108 R117 E191L108-S112 WeakPolarHBondContact O-CB 3.04Å; L108-S112 PolarHBondContact O-N 2.59Å; L108-S112 VanDerWaalsContact O-N 3.13Å; L108-S112 PolarHBondContact O-OG 3.14Å; S112-R117 PolarHBondContact O-NH1 2.8Å; S112-R117 WeakPolarHBondContact OG-CB 3.37Å; S112-R117 WeakPolarHBondContact OG-CD 3.49Å; S112-E191 WeakPolarHBondContact CB-O 3.21Å
113L86.5Confident91.2Very high146 Ų14665 Ų6576%0.76430%0.302SS*.  trans-92.6-12.4179.6-62.8175.3000112.7
114Y87.7Confident91.1Very high54 Ų5465 Ų6521%0.21230%0.302CS..SBendtrans-89147-168.9-58.4-80.6000112E116 R117 E191 Y301 R307Y114-E116 VanDerWaalsContact C-N 3.32Å; Y114-E116 PolarHBondContact O-N 3.17Å; Y114-R117 WeakPolarHBondContact O-CB 3.15Å; Y114-R117 VanDerWaalsContact O-CD 3.31Å; Y114-R117 WeakPolarHBondContact O-CD 3.31Å; Y114-R117 WeakPolarHBondContact O-CG 3.42Å; Y114-R117 PolarHBondContact O-N 3.32Å; Y114-E191 WeakPolarHBondContact CB-OE2 3.27Å; Y114-Y301 PolarHBondContact OH-OH 3.09Å; Y114-R307 PolarHBondContact OH-NE 2.91Å; Y114-R307 PolarHBondContact OH-NH2 2.93Å
115P89.4Confident91.3Very high110 Ų11067.7 Ų67.771%0.71432%0.315SS*.THydrogen-bonded Turntrans-67.1-32.6-178.526.8-34000112.7R117P115-R117 PolarHBondContact O-N 2.89Å; P115-R117 VanDerWaalsContact O-N 3.13Å
116E91.2Very high91.2Very high109 Ų10967.5 Ų67.551%0.50932%0.321SS..THydrogen-bonded Turntrans-72.6-2.5-178.3-64.2-176.7-172.200113.5Y114 Y118 V119 A120 E191Y114-E116 VanDerWaalsContact C-N 3.32Å; Y114-E116 PolarHBondContact O-N 3.17Å; E116-Y118 PolarHBondContact O-N 3.29Å; E116-Y118 VanDerWaalsContact O-N 3.11Å; E116-V119 WeakPolarHBondContact O-CB 3.39Å; E116-V119 PolarHBondContact O-N 2.66Å; E116-A120 PolarHBondContact O-N 3Å; E116-E191 HydrophobicContact CB-CG 4.19Å
117R92Very high91Very high64 Ų6464.7 Ų64.724%0.24231%0.31CS..Hα-helixtrans-53.4-33.8177.368.9-173.9173-167.7-1.3114.1L108 S112 Y114 P115 S121L108-R117 HydrophobicContact CD2-CB 4.46Å; S112-R117 PolarHBondContact O-NH1 2.8Å; S112-R117 WeakPolarHBondContact OG-CB 3.37Å; S112-R117 WeakPolarHBondContact OG-CD 3.49Å; Y114-R117 WeakPolarHBondContact O-CB 3.15Å; Y114-R117 VanDerWaalsContact O-CD 3.31Å; Y114-R117 WeakPolarHBondContact O-CD 3.31Å; Y114-R117 WeakPolarHBondContact O-CG 3.42Å; Y114-R117 PolarHBondContact O-N 3.32Å; P115-R117 PolarHBondContact O-N 2.89Å; P115-R117 VanDerWaalsContact O-N 3.13Å; R117-S121 VanDerWaalsContact O-CB 3.31Å; R117-S121 WeakPolarHBondContact O-CB 3.22Å; R117-S121 PolarHBondContact O-N 3.23Å; R117-S121 PolarHBondContact O-OG 2.72Å
118Y92.7Very high91Very high125 Ų12565.7 Ų65.749%0.4932%0.316SS..Hα-helixtrans-70.2-41.6179.8-63.8-70.4000110.8E116 S121 W122E116-Y118 PolarHBondContact O-N 3.29Å; E116-Y118 VanDerWaalsContact O-N 3.11Å; Y118-S121 WeakPolarHBondContact CA-OG 3.29Å; Y118-S121 PolarHBondContact O-N 3.38Å; Y118-S121 PolarHBondContact O-OG 3.27Å; Y118-W122 PolarHBondContact O-N 2.96Å
119V94.1Very high91Very high84 Ų8470.5 Ų70.551%0.50934%0.341SS..Hα-helixtrans-61.2-49.3175.1176.50000109.8E116 S121 W122 Y123E116-V119 WeakPolarHBondContact O-CB 3.39Å; E116-V119 PolarHBondContact O-N 2.66Å; V119-S121 VanDerWaalsContact C-N 3.29Å; V119-S121 PolarHBondContact O-N 2.93Å; V119-W122 PolarHBondContact O-N 3.47Å; V119-W122 VanDerWaalsContact O-N 3.16Å; V119-Y123 HydrophobicContact CG1-CD2 4.04Å; V119-Y123 HydrophobicContact CG1-CE2 3.55Å; V119-Y123 WeakPolarHBondContact O-CD2 3.13Å; V119-Y123 PolarHBondContact O-N 3.25Å; V119-Y123 VanDerWaalsContact O-N 3.16Å
120A93Very high90.9Very high3 Ų374.5 Ų74.53%0.02536%0.36CS..Hα-helixtrans-59.3-38.617500000112.8E116 Y123 M124 E191E116-A120 PolarHBondContact O-N 3Å; A120-Y123 PolarHBondContact O-N 3.27Å; A120-M124 PolarHBondContact O-N 3.21Å; A120-E191 HydrophobicContact CB-CB 4.01Å; A120-E191 HydrophobicContact CB-CG 3.88Å
121S93.7Very high91Very high8 Ų868.3 Ų68.36%0.05633%0.333CS..Hα-helixtrans-66.7-38.6176.675.40000112.4R117 Y118 V119 Y123 M124 I125R117-S121 VanDerWaalsContact O-CB 3.31Å; R117-S121 WeakPolarHBondContact O-CB 3.22Å; R117-S121 PolarHBondContact O-N 3.23Å; R117-S121 PolarHBondContact O-OG 2.72Å; Y118-S121 WeakPolarHBondContact CA-OG 3.29Å; Y118-S121 PolarHBondContact O-N 3.38Å; Y118-S121 PolarHBondContact O-OG 3.27Å; V119-S121 VanDerWaalsContact C-N 3.29Å; V119-S121 PolarHBondContact O-N 2.93Å; S121-Y123 PolarHBondContact O-N 3.35Å; S121-M124 PolarHBondContact O-N 3.29Å; S121-I125 VanDerWaalsContact O-CG1 3.27Å; S121-I125 WeakPolarHBondContact O-CG1 3.29Å; S121-I125 PolarHBondContact O-N 3.41Å
122W92.5Very high91.2Very high185 Ų18566.5 Ų66.570%0.70133%0.326SS*.Hα-helixtrans-62.4-42.7176.1-84.9111.2000111.9Y118 V119 I125 G126Y118-W122 PolarHBondContact O-N 2.96Å; V119-W122 PolarHBondContact O-N 3.47Å; V119-W122 VanDerWaalsContact O-N 3.16Å; W122-I125 PolarHBondContact O-N 3.24Å; W122-G126 PolarHBondContact O-N 2.96Å
123Y91.2Very high91.4Very high101 Ų10169.9 Ų69.940%0.39635%0.347SS..Hα-helixtrans-57.9-53.4171.8-73.5-70.5000110.3V119 A120 S121 I125 G126 Y127 M187V119-Y123 HydrophobicContact CG1-CD2 4.04Å; V119-Y123 HydrophobicContact CG1-CE2 3.55Å; V119-Y123 WeakPolarHBondContact O-CD2 3.13Å; V119-Y123 PolarHBondContact O-N 3.25Å; V119-Y123 VanDerWaalsContact O-N 3.16Å; A120-Y123 PolarHBondContact O-N 3.27Å; S121-Y123 PolarHBondContact O-N 3.35Å; Y123-I125 PolarHBondContact O-N 2.82Å; Y123-G126 WeakPolarHBondContact O-CA 3.48Å; Y123-G126 PolarHBondContact O-N 3.19Å; Y123-Y127 WeakPolarHBondContact O-CD2 3.14Å; Y123-Y127 PolarHBondContact O-N 3.34Å; Y123-M187 HydrophobicContact CD2-SD 3.71Å; Y123-M187 HydrophobicContact CE1-SD 4.46Å; Y123-M187 HydrophobicContact CE2-CE 4.44Å; Y123-M187 HydrophobicContact CE2-SD 3.5Å; Y123-M187 WeakPolarHBondContact CE2-SD 3.26Å; Y123-M187 HydrophobicContact CG-SD 4.29Å
124M90.8Very high91.8Very high8 Ų865 Ų654%0.03932%0.323CS..Hα-helixtrans-59.1-41.3-178.8-165.9179.1178.300113I101 A104 L105 L108 A120 S121 Y127 V128 V188I101-M124 HydrophobicContact CG2-CE 3.54Å; A104-M124 HydrophobicContact CB-CE 4.11Å; L105-M124 HydrophobicContact CB-CE 3.95Å; L105-M124 HydrophobicContact CB-SD 3.87Å; L105-M124 HydrophobicContact CD1-CB 4.27Å; L105-M124 HydrophobicContact CD1-CG 4Å; L105-M124 HydrophobicContact CD1-SD 4.2Å; L105-M124 HydrophobicContact CG-CG 4.44Å; L105-M124 HydrophobicContact CG-SD 4.01Å; L108-M124 HydrophobicContact CD1-SD 4.46Å; A120-M124 PolarHBondContact O-N 3.21Å; S121-M124 PolarHBondContact O-N 3.29Å; M124-Y127 PolarHBondContact O-N 3.01Å; M124-V128 VanDerWaalsContact O-CG2 3.28Å; M124-V128 WeakPolarHBondContact O-CG2 3.37Å; M124-V128 PolarHBondContact O-N 3.23Å; M124-V188 HydrophobicContact CB-CG2 4.24Å; M124-V188 HydrophobicContact SD-CG1 4.43Å
125I93.8Very high92.1Very high57 Ų5762.4 Ų62.429%0.29231%0.313SS..Hα-helixtrans-60.4-46.7173.9-68.1171.9000110.4L105 S121 W122 Y123 Y127 V128 L129L105-I125 HydrophobicContact CD1-CB 4.5Å; L105-I125 HydrophobicContact CD1-CG1 3.59Å; L105-I125 HydrophobicContact CD2-CG1 4.29Å; L105-I125 HydrophobicContact CG-CG1 4.46Å; S121-I125 VanDerWaalsContact O-CG1 3.27Å; S121-I125 WeakPolarHBondContact O-CG1 3.29Å; S121-I125 PolarHBondContact O-N 3.41Å; W122-I125 PolarHBondContact O-N 3.24Å; Y123-I125 PolarHBondContact O-N 2.82Å; I125-Y127 VanDerWaalsContact C-N 3.33Å; I125-Y127 PolarHBondContact O-N 3.29Å; I125-V128 PolarHBondContact O-N 3.38Å; I125-L129 HydrophobicContact CG2-CD1 3.79Å; I125-L129 HydrophobicContact CG2-CG 4.32Å; I125-L129 WeakPolarHBondContact O-CG 3.29Å; I125-L129 PolarHBondContact O-N 2.64Å
126G91.3Very high92.4Very high26 Ų2659.2 Ų59.227%0.26829%0.29SS..Hα-helixtrans-55.9-47.2177.800000111.9W122 Y123 L129 L130W122-G126 PolarHBondContact O-N 2.96Å; Y123-G126 WeakPolarHBondContact O-CA 3.48Å; Y123-G126 PolarHBondContact O-N 3.19Å; G126-L129 PolarHBondContact O-N 3.43Å; G126-L130 VanDerWaalsContact O-CB 3.23Å; G126-L130 WeakPolarHBondContact O-CB 3.47Å; G126-L130 WeakPolarHBondContact O-CG 3.33Å; G126-L130 PolarHBondContact O-N 3.39Å
127Y87.9Confident92.6Very high50 Ų5058.3 Ų58.320%0.19629%0.288CS..Hα-helixtrans-66.1-39.2177.7-77.4-79.5000113.3Y123 M124 I125 S131 F181 S183 W184Y123-Y127 WeakPolarHBondContact O-CD2 3.14Å; Y123-Y127 PolarHBondContact O-N 3.34Å; M124-Y127 PolarHBondContact O-N 3.01Å; I125-Y127 VanDerWaalsContact C-N 3.33Å; I125-Y127 PolarHBondContact O-N 3.29Å; Y127-S131 WeakPolarHBondContact O-CB 3.38Å; Y127-S131 PolarHBondContact O-N 3.32Å; Y127-S131 VanDerWaalsContact O-N 3.14Å; Y127-S131 PolarHBondContact O-OG 3.06Å; Y127-F181 HydrophobicContact CE1-CB 4.34Å; Y127-F181 HydrophobicContact CE1-CD1 4.32Å; Y127-S183 PolarHBondContact OH-OG 3.37Å; Y127-W184 AromaticContact CD1-CD1 3.8Å; Y127-W184 HydrophobicContact CD1-CG 4.47Å; Y127-W184 HydrophobicContact CD2-CB 3.52Å; Y127-W184 AromaticContact CD2-CD1 3.84Å; Y127-W184 AromaticContact CD2-CG 3.78Å; Y127-W184 HydrophobicContact CD2-CG 3.78Å; Y127-W184 AromaticContact CE1-CD1 3.64Å; Y127-W184 HydrophobicContact CE1-CG 4.49Å; Y127-W184 HydrophobicContact CE2-CB 3.44Å; Y127-W184 VanDerWaalsContact CE2-CB 3.44Å; Y127-W184 AromaticContact CE2-CD1 3.78Å; Y127-W184 AromaticContact CE2-CG 3.89Å; Y127-W184 HydrophobicContact CE2-CG 3.89Å; Y127-W184 HydrophobicContact CG-CB 4.35Å; Y127-W184 AromaticContact CG-CD1 3.9Å; Y127-W184 HydrophobicContact CG-CG 4.14Å; Y127-W184 AromaticContact CZ-CD1 3.64Å
128V90.9Very high92.7Very high21 Ų2155.9 Ų55.913%0.12728%0.28CS..Hα-helixtrans-61.2-46.5175.8168.90000111I101 M124 I125 G132I101-V128 HydrophobicContact CB-CG2 4.28Å; I101-V128 HydrophobicContact CG2-CG2 3.36Å; M124-V128 VanDerWaalsContact O-CG2 3.28Å; M124-V128 WeakPolarHBondContact O-CG2 3.37Å; M124-V128 PolarHBondContact O-N 3.23Å; I125-V128 PolarHBondContact O-N 3.38Å; V128-G132 VanDerWaalsContact O-CA 3.23Å; V128-G132 WeakPolarHBondContact O-CA 3.41Å; V128-G132 PolarHBondContact O-N 3.32Å
129L92.5Very high92.7Very high103 Ų10350 Ų5054%0.53926%0.257SS..Hα-helixtrans-72.6-46-177.6-66.6175.6000112.3I125 G126 S131 V133I125-L129 HydrophobicContact CG2-CD1 3.79Å; I125-L129 HydrophobicContact CG2-CG 4.32Å; I125-L129 WeakPolarHBondContact O-CG 3.29Å; I125-L129 PolarHBondContact O-N 2.64Å; G126-L129 PolarHBondContact O-N 3.43Å; L129-S131 VanDerWaalsContact C-N 3.29Å; L129-S131 PolarHBondContact O-N 2.92Å; L129-V133 PolarHBondContact O-N 3.32Å
130L91Very high92.7Very high135 Ų13549.2 Ų49.271%0.70725%0.25SC*.Hα-helixtrans-65.7-31.1-176.9-73.1172.6000112.9G126 P134G126-L130 VanDerWaalsContact O-CB 3.23Å; G126-L130 WeakPolarHBondContact O-CB 3.47Å; G126-L130 WeakPolarHBondContact O-CG 3.33Å; G126-L130 PolarHBondContact O-N 3.39Å; L130-P134 VanDerWaalsContact O-CD 3.25Å; L130-P134 WeakPolarHBondContact O-CD 3.42Å; L130-P134 VanDerWaalsContact O-CG 3.24Å; L130-P134 WeakPolarHBondContact O-CG 3.5Å
131S91.6Very high92.7Very high3 Ų353 Ų532%0.02127%0.269CS..Hα-helixtrans-98.6-40.9178.467.40000113Y127 L129 L135 T174 K175Y127-S131 WeakPolarHBondContact O-CB 3.38Å; Y127-S131 PolarHBondContact O-N 3.32Å; Y127-S131 VanDerWaalsContact O-N 3.14Å; Y127-S131 PolarHBondContact O-OG 3.06Å; L129-S131 VanDerWaalsContact C-N 3.29Å; L129-S131 PolarHBondContact O-N 2.92Å; S131-L135 WeakPolarHBondContact O-CB 3.41Å; S131-L135 PolarHBondContact O-N 3.34Å; S131-L135 VanDerWaalsContact O-N 3.11Å; S131-T174 WeakPolarHBondContact CB-OG1 3.22Å; S131-K175 WeakPolarHBondContact OG-CE 3.18Å
132G92.8Very high92.6Very high2 Ų252.7 Ų52.72%0.02127%0.267CS..Hα-helixtrans-69.5-40.7-171.800000113.7W94 E98 V128 L136W94-G132 PolarHBondContact NE1-O 3.46Å; E98-G132 VanDerWaalsContact OE1-CA 3.24Å; E98-G132 WeakPolarHBondContact OE1-CA 3.5Å; V128-G132 VanDerWaalsContact O-CA 3.23Å; V128-G132 WeakPolarHBondContact O-CA 3.41Å; V128-G132 PolarHBondContact O-N 3.32Å; G132-L136 PolarHBondContact O-N 2.91Å; G132-L136 VanDerWaalsContact O-N 3.12Å
133V93.7Very high92.5Very high74 Ų7444.1 Ų44.145%0.44824%0.236SC..Hα-helixtrans-71.3-49.1-179.5179.80000111.6L129 L135 L136 I137L129-V133 PolarHBondContact O-N 3.32Å; V133-L135 VanDerWaalsContact C-N 3.3Å; V133-L135 PolarHBondContact O-N 2.9Å; V133-L136 WeakPolarHBondContact O-CB 3.26Å; V133-L136 PolarHBondContact O-N 2.91Å; V133-L136 VanDerWaalsContact O-N 3.14Å; V133-I137 HydrophobicContact CG1-CD1 4.31Å; V133-I137 PolarHBondContact O-N 3.24Å; V133-I137 VanDerWaalsContact O-N 3.14Å
134P94.8Very high92.5Very high42 Ų4245.8 Ų45.827%0.27325%0.25SS..Hα-helixtrans-63.3-34.9176.2-25.237.9000113.2L130 L136 I137 C138 M171L130-P134 VanDerWaalsContact O-CD 3.25Å; L130-P134 WeakPolarHBondContact O-CD 3.42Å; L130-P134 VanDerWaalsContact O-CG 3.24Å; L130-P134 WeakPolarHBondContact O-CG 3.5Å; P134-L136 VanDerWaalsContact C-N 3.32Å; P134-L136 PolarHBondContact O-N 2.89Å; P134-I137 PolarHBondContact O-N 3.09Å; P134-C138 PolarHBondContact O-N 3.45Å; P134-C138 PolarHBondContact O-SG 3.48Å; P134-M171 HydrophobicContact CB-CG 4.2Å; P134-M171 HydrophobicContact CB-SD 3.82Å; P134-M171 HydrophobicContact CG-SD 4.22Å
135L94.4Very high92.4Very high0 Ų048.4 Ų48.40%027%0.27CS..Hα-helixtrans-58.3-44.1172.8-173.285000111.2S131 V133 I137 C138 I139 M168 M171 F172S131-L135 WeakPolarHBondContact O-CB 3.41Å; S131-L135 PolarHBondContact O-N 3.34Å; S131-L135 VanDerWaalsContact O-N 3.11Å; V133-L135 VanDerWaalsContact C-N 3.3Å; V133-L135 PolarHBondContact O-N 2.9Å; L135-I137 PolarHBondContact O-N 3Å; L135-C138 PolarHBondContact O-N 3.47Å; L135-I139 HydrophobicContact CG-CD1 4.16Å; L135-I139 WeakPolarHBondContact O-CB 3.46Å; L135-I139 VanDerWaalsContact O-CG1 3.29Å; L135-I139 WeakPolarHBondContact O-CG1 3.49Å; L135-I139 PolarHBondContact O-N 3.02Å; L135-M168 HydrophobicContact CD1-CE 3.55Å; L135-M168 HydrophobicContact CD1-SD 3.52Å; L135-M168 VanDerWaalsContact CD1-SD 3.52Å; L135-M168 HydrophobicContact CG-CE 4.1Å; L135-M168 HydrophobicContact CG-SD 4.08Å; L135-M171 HydrophobicContact CB-CB 4.11Å; L135-M171 HydrophobicContact CB-CG 4.42Å; L135-M171 HydrophobicContact CD1-CB 3.73Å; L135-F172 HydrophobicContact CD1-CD1 4.31Å; L135-F172 HydrophobicContact CD1-CD2 4.02Å; L135-F172 HydrophobicContact CD1-CE1 4.02Å; L135-F172 HydrophobicContact CD1-CE2 3.73Å; L135-F172 HydrophobicContact CD1-CG 4.3Å; L135-F172 HydrophobicContact CD1-CZ 3.73Å; L135-F172 HydrophobicContact CD2-CE1 4.02Å; L135-F172 HydrophobicContact CD2-CZ 4.18Å; L135-F172 HydrophobicContact CG-CZ 4.48Å
136L95.4Very high92Very high43 Ų4347.5 Ų47.523%0.22526%0.264CS..Hα-helixtrans-60.7-45.8176.3-178.166.8000111.6L91 W94 G132 V133 P134 C138 I139 L140L91-L136 HydrophobicContact CD2-CD1 4.07Å; W94-L136 HydrophobicContact CD2-CB 4.37Å; W94-L136 HydrophobicContact CD2-CD1 3.67Å; W94-L136 HydrophobicContact CD2-CG 4.48Å; W94-L136 HydrophobicContact CE3-CD1 3.82Å; W94-L136 HydrophobicContact CG-CD1 4.07Å; W94-L136 HydrophobicContact CH2-CD1 4.37Å; W94-L136 HydrophobicContact CH2-CD2 3.92Å; W94-L136 HydrophobicContact CZ2-CB 3.95Å; W94-L136 HydrophobicContact CZ2-CD1 4.24Å; W94-L136 HydrophobicContact CZ2-CD2 3.91Å; W94-L136 HydrophobicContact CZ2-CG 4.25Å; W94-L136 HydrophobicContact CZ3-CD1 4.17Å; W94-L136 HydrophobicContact CZ3-CD2 4.37Å; G132-L136 PolarHBondContact O-N 2.91Å; G132-L136 VanDerWaalsContact O-N 3.12Å; V133-L136 WeakPolarHBondContact O-CB 3.26Å; V133-L136 PolarHBondContact O-N 2.91Å; V133-L136 VanDerWaalsContact O-N 3.14Å; P134-L136 VanDerWaalsContact C-N 3.32Å; P134-L136 PolarHBondContact O-N 2.89Å; L136-C138 VanDerWaalsContact C-N 3.33Å; L136-C138 PolarHBondContact O-N 3.14Å; L136-I139 PolarHBondContact O-N 3.08Å; L136-L140 HydrophobicContact CG-CD1 4.15Å; L136-L140 WeakPolarHBondContact O-CG 3.28Å; L136-L140 PolarHBondContact O-N 3.47Å
137I95.3Very high91.6Very high91 Ų9149.8 Ų49.847%0.46729%0.288SS..Hα-helixtrans-59.9-46.2179.7-64.7168.4000110.1V133 P134 L135 L140 L141V133-I137 HydrophobicContact CG1-CD1 4.31Å; V133-I137 PolarHBondContact O-N 3.24Å; V133-I137 VanDerWaalsContact O-N 3.14Å; P134-I137 PolarHBondContact O-N 3.09Å; L135-I137 PolarHBondContact O-N 3Å; I137-L140 PolarHBondContact O-N 3.04Å; I137-L141 HydrophobicContact CG2-CD1 4.04Å; I137-L141 HydrophobicContact CG2-CG 4.44Å; I137-L141 WeakPolarHBondContact O-CG 3.39Å; I137-L141 PolarHBondContact O-N 3.26Å
138C93.7Very high91.6Very high12 Ų1248.6 Ų48.68%0.08129%0.291CS..Hα-helixtrans-64.6-42179.2-65.30000112.2P134 L135 L136 L140 L141 V142 M168P134-C138 PolarHBondContact O-N 3.45Å; P134-C138 PolarHBondContact O-SG 3.48Å; L135-C138 PolarHBondContact O-N 3.47Å; L136-C138 VanDerWaalsContact C-N 3.33Å; L136-C138 PolarHBondContact O-N 3.14Å; C138-L140 VanDerWaalsContact C-N 3.29Å; C138-L140 PolarHBondContact O-N 2.93Å; C138-L141 PolarHBondContact O-N 3.33Å; C138-V142 WeakPolarHBondContact O-CG2 2.93Å; C138-V142 PolarHBondContact O-N 3.28Å; C138-M168 HydrophobicContact CB-CG 3.58Å; C138-M168 HydrophobicContact CB-SD 3.25Å; C138-M168 WeakPolarHBondContact CB-SD 3.44Å
139I93.2Very high91.5Very high1 Ų151.7 Ų51.71%0.00530%0.303CS..Hα-helixtrans-57-43.4173.3-74.7171.6000111.1A90 L91 W94 L135 L136 S143 W154 M168A90-I139 HydrophobicContact CB-CG2 3.86Å; L91-I139 HydrophobicContact CD2-CG2 4.18Å; W94-I139 HydrophobicContact CB-CD1 3.95Å; W94-I139 HydrophobicContact CG-CD1 4.36Å; L135-I139 HydrophobicContact CG-CD1 4.16Å; L135-I139 WeakPolarHBondContact O-CB 3.46Å; L135-I139 VanDerWaalsContact O-CG1 3.29Å; L135-I139 WeakPolarHBondContact O-CG1 3.49Å; L135-I139 PolarHBondContact O-N 3.02Å; L136-I139 PolarHBondContact O-N 3.08Å; I139-S143 VanDerWaalsContact O-CB 3.26Å; I139-S143 WeakPolarHBondContact O-CB 3.49Å; I139-S143 PolarHBondContact O-N 2.78Å; I139-S143 PolarHBondContact O-OG 3.21Å; I139-W154 HydrophobicContact CG2-CH2 4.12Å; I139-M168 HydrophobicContact CD1-CE 3.9Å; I139-M168 HydrophobicContact CG1-CE 3.31Å; I139-M168 HydrophobicContact CG1-SD 4.02Å
140L94.1Very high91.2Very high69 Ų6951.7 Ų51.736%0.36130%0.298SS..Hα-helixtrans-65.5-46.3178.4-71.1170.5000111.3L91 L136 I137 C138 S143 L144 F149L91-L140 HydrophobicContact CD2-CD2 3.86Å; L136-L140 HydrophobicContact CG-CD1 4.15Å; L136-L140 WeakPolarHBondContact O-CG 3.28Å; L136-L140 PolarHBondContact O-N 3.47Å; I137-L140 PolarHBondContact O-N 3.04Å; C138-L140 VanDerWaalsContact C-N 3.29Å; C138-L140 PolarHBondContact O-N 2.93Å; L140-S143 WeakPolarHBondContact CA-OG 3.36Å; L140-S143 PolarHBondContact O-N 3.47Å; L140-S143 PolarHBondContact O-OG 2.92Å; L140-L144 WeakPolarHBondContact O-CG 3.22Å; L140-L144 PolarHBondContact O-N 3.38Å; L140-F149 HydrophobicContact CD2-CE1 4.37Å
141L93.3Very high90.9Very high81 Ų8145.5 Ų45.542%0.42427%0.266SS..Hα-helixtrans-61.8-46.3179.2-68173.5000112.3I137 C138 S143 L144 S145 L164I137-L141 HydrophobicContact CG2-CD1 4.04Å; I137-L141 HydrophobicContact CG2-CG 4.44Å; I137-L141 WeakPolarHBondContact O-CG 3.39Å; I137-L141 PolarHBondContact O-N 3.26Å; C138-L141 PolarHBondContact O-N 3.33Å; L141-S143 VanDerWaalsContact C-N 3.31Å; L141-S143 PolarHBondContact O-N 3.02Å; L141-L144 PolarHBondContact O-N 3.17Å; L141-S145 PolarHBondContact O-N 3.01Å; L141-S145 VanDerWaalsContact O-N 3.16Å; L141-S145 PolarHBondContact O-OG 2.87Å; L141-L164 HydrophobicContact CB-CD1 3.85Å; L141-L164 HydrophobicContact CB-CD2 4.33Å; L141-L164 HydrophobicContact CD1-CD2 3.8Å
142V91.2Very high90.3Very high2 Ų249.3 Ų49.31%0.01229%0.286CS..Hα-helixtrans-63.7-37.9176.3174.60000111.2C138 L144 S145 E146 W154 L164 Y165C138-V142 WeakPolarHBondContact O-CG2 2.93Å; C138-V142 PolarHBondContact O-N 3.28Å; V142-L144 VanDerWaalsContact C-N 3.29Å; V142-L144 PolarHBondContact O-N 3.43Å; V142-S145 WeakPolarHBondContact CA-OG 3.34Å; V142-S145 PolarHBondContact O-N 2.94Å; V142-S145 PolarHBondContact O-OG 3.42Å; V142-E146 HydrophobicContact CG1-CG 4.27Å; V142-E146 PolarHBondContact O-N 3.28Å; V142-W154 HydrophobicContact CG1-CD2 3.89Å; V142-W154 HydrophobicContact CG1-CE3 4.03Å; V142-W154 HydrophobicContact CG1-CG 4.29Å; V142-W154 HydrophobicContact CG1-CH2 4.31Å; V142-W154 HydrophobicContact CG1-CZ2 4.25Å; V142-W154 HydrophobicContact CG1-CZ3 4.24Å; V142-L164 HydrophobicContact CG2-CB 3.94Å; V142-L164 HydrophobicContact CG2-CD1 4.1Å; V142-Y165 HydrophobicContact CG1-CE1 4.38Å
143S91.1Very high89.7Confident6 Ų653 Ų534%0.04231%0.31CS..Hα-helixtrans-66.3-31.4177.673.90000113.5I139 L140 L141 G147 G148 F149I139-S143 VanDerWaalsContact O-CB 3.26Å; I139-S143 WeakPolarHBondContact O-CB 3.49Å; I139-S143 PolarHBondContact O-N 2.78Å; I139-S143 PolarHBondContact O-OG 3.21Å; L140-S143 WeakPolarHBondContact CA-OG 3.36Å; L140-S143 PolarHBondContact O-N 3.47Å; L140-S143 PolarHBondContact O-OG 2.92Å; L141-S143 VanDerWaalsContact C-N 3.31Å; L141-S143 PolarHBondContact O-N 3.02Å; S143-G147 PolarHBondContact O-N 3.4Å; S143-G148 PolarHBondContact O-N 2.65Å; S143-G148 VanDerWaalsContact O-N 3.12Å; S143-F149 VanDerWaalsContact CB-CD1 3.48Å; S143-F149 VanDerWaalsContact CB-CE1 3.46Å; S143-F149 WeakPolarHBondContact OG-CE1 3.32Å
144L90.8Very high89.1Confident135 Ų13550.5 Ų50.571%0.70729%0.293SS*.Hα-helixtrans-72.8-39.2176.6-70.7169.9000111.3L140 L141 V142L140-L144 WeakPolarHBondContact O-CG 3.22Å; L140-L144 PolarHBondContact O-N 3.38Å; L141-L144 PolarHBondContact O-N 3.17Å; V142-L144 VanDerWaalsContact C-N 3.29Å; V142-L144 PolarHBondContact O-N 3.43Å
145S88.6Confident88Confident64 Ų6449.9 Ų49.945%0.44829%0.294SS..Hα-helixtrans-72.3-40.1179570000113.2L141 V142 G147 L161L141-S145 PolarHBondContact O-N 3.01Å; L141-S145 VanDerWaalsContact O-N 3.16Å; L141-S145 PolarHBondContact O-OG 2.87Å; V142-S145 WeakPolarHBondContact CA-OG 3.34Å; V142-S145 PolarHBondContact O-N 2.94Å; V142-S145 PolarHBondContact O-OG 3.42Å; S145-G147 VanDerWaalsContact C-N 3.31Å; S145-L161 WeakPolarHBondContact OG-CD1 3.34Å; S145-L161 WeakPolarHBondContact OG-CD2 3.34Å
146E85.8Confident86.4Confident37 Ų3754.4 Ų54.417%0.17332%0.318CS..THydrogen-bonded Turntrans-85.4-3.7-179.7-63.4-72-177.400112.8V142 G148 N156 L161V142-E146 HydrophobicContact CG1-CG 4.27Å; V142-E146 PolarHBondContact O-N 3.28Å; E146-G148 VanDerWaalsContact C-N 3.29Å; E146-G148 PolarHBondContact O-N 2.9Å; E146-N156 PolarHBondContact OE2-ND2 3.02Å; E146-L161 HydrophobicContact CG-CD1 4.19Å; E146-L161 WeakPolarHBondContact OE1-CD1 3.31Å
147G82.7Confident84.8Confident74 Ų7459.6 Ų59.676%0.76335%0.346SS*.THydrogen-bonded Turntrans70.817.5177.500000115S143 S145S143-G147 PolarHBondContact O-N 3.4Å; S145-G147 VanDerWaalsContact C-N 3.31Å
148G86.6Confident83.6Confident26 Ų2659.3 Ų59.327%0.26835%0.345SS..SBendtrans-172.3159.7-178.900000115.5S143 E146 W154S143-G148 PolarHBondContact O-N 2.65Å; S143-G148 VanDerWaalsContact O-N 3.12Å; E146-G148 VanDerWaalsContact C-N 3.29Å; E146-G148 PolarHBondContact O-N 2.9Å; G148-W154 PolarHBondContact O-NE1 3.31Å
149F88.2Confident82.6Confident86 Ų8665.5 Ų65.538%0.37738%0.377SS..  trans-942.9-179.5-65.1-73.6000114.6K89 A90 L91 L140 S143 M151K89-F149 CarbonylContact C-O 3.55Å; K89-F149 WeakPolarHBondContact CA-O 3.21Å; A90-F149 PolarHBondContact N-O 3.16Å; L91-F149 HydrophobicContact CD1-CD1 3.62Å; L91-F149 HydrophobicContact CD1-CD2 4.5Å; L91-F149 HydrophobicContact CD1-CE1 3.31Å; L91-F149 HydrophobicContact CD1-CE2 4.25Å; L91-F149 HydrophobicContact CD1-CG 4.21Å; L91-F149 HydrophobicContact CD1-CZ 3.66Å; L91-F149 HydrophobicContact CD2-CE1 4.36Å; L91-F149 HydrophobicContact CG-CD1 3.64Å; L91-F149 HydrophobicContact CG-CE1 3.67Å; L91-F149 HydrophobicContact CG-CG 4.45Å; L91-F149 HydrophobicContact CG-CZ 4.5Å; L140-F149 HydrophobicContact CD2-CE1 4.37Å; S143-F149 VanDerWaalsContact CB-CD1 3.48Å; S143-F149 VanDerWaalsContact CB-CE1 3.46Å; S143-F149 WeakPolarHBondContact OG-CE1 3.32Å; F149-M151 PolarHBondContact O-N 3.38Å
150K87.8Confident82Confident102 Ų10274.1 Ų74.144%0.44342%0.418SS..BIsolated β-bridgetrans-79.2114.9-178.8-68.6179.8-178.2174.40108.6L152 C153K150-L152 PolarHBondContact O-N 3.47Å; K150-C153 HydrophobicContact CB-CB 4.29Å; K150-C153 WeakPolarHBondContact O-CB 3.4Å; K150-C153 PolarHBondContact O-N 2.98Å
151M83.4Confident81.5Confident5 Ų571.4 Ų71.43%0.02540%0.404CS..G310 helixtrans-59.6-34.8-177.9-69.1-177-69.900112.1M46 V87 N88 A90 F93 F149 C153 W154 R214 V215M46-M151 HydrophobicContact CE-CE 3.71Å; V87-M151 WeakPolarHBondContact O-CE 3.39Å; N88-M151 VanDerWaalsContact O-CE 3.29Å; N88-M151 WeakPolarHBondContact O-CE 3.21Å; N88-M151 WeakPolarHBondContact O-CG 3.48Å; N88-M151 PolarHBondContact O-N 3.29Å; N88-M151 PolarHBondContact OD1-N 2.98Å; A90-M151 HydrophobicContact CB-CG 3.72Å; A90-M151 HydrophobicContact CB-SD 4.35Å; F93-M151 HydrophobicContact CB-CE 3.94Å; F93-M151 HydrophobicContact CB-SD 4.14Å; F93-M151 HydrophobicContact CD2-CE 4.16Å; F93-M151 HydrophobicContact CD2-SD 4.4Å; F93-M151 HydrophobicContact CG-CE 4.19Å; F93-M151 HydrophobicContact CG-SD 4.11Å; F149-M151 PolarHBondContact O-N 3.38Å; M151-C153 PolarHBondContact O-N 3.16Å; M151-W154 HydrophobicContact CG-CE3 4.44Å; M151-W154 HydrophobicContact CG-CZ3 4.47Å; M151-W154 WeakPolarHBondContact O-CB 3.38Å; M151-W154 PolarHBondContact O-N 2.91Å; M151-R214 HydrophobicContact SD-CB 4.19Å; M151-V215 HydrophobicContact SD-CG2 3.66Å
152L80Confident81.1Confident84 Ų8469.9 Ų69.944%0.4440%0.4SS..G310 helixtrans-66-18.8177.5-69.6170.4000114.8C39 M41 M46 N88 K150 W154C39-L152 HydrophobicContact CB-CD1 4.02Å; M41-L152 HydrophobicContact CE-CD1 3.5Å; M41-L152 HydrophobicContact CG-CD1 3.8Å; M41-L152 HydrophobicContact SD-CD1 3.36Å; M41-L152 WeakPolarHBondContact SD-CD1 3.43Å; M46-L152 HydrophobicContact SD-CD1 3.7Å; M46-L152 HydrophobicContact SD-CD2 4Å; M46-L152 HydrophobicContact SD-CG 3.67Å; N88-L152 PolarHBondContact OD1-N 3.47Å; K150-L152 PolarHBondContact O-N 3.47Å; L152-W154 VanDerWaalsContact C-N 3.32Å
153C79.6Confident80.9Confident78 Ų7875.5 Ų75.553%0.52743%0.429SS..G310 helixtrans-87.1-9.1176.1-62.50000111.9K150 M151K150-C153 HydrophobicContact CB-CB 4.29Å; K150-C153 WeakPolarHBondContact O-CB 3.4Å; K150-C153 PolarHBondContact O-N 2.98Å; M151-C153 PolarHBondContact O-N 3.16Å
154W80.4Confident80.9Confident23 Ų2376.9 Ų76.99%0.08744%0.436CS..  trans-83.8138.9177.4-59-9.3000109.2A90 I139 V142 G148 M151 L152 V215A90-W154 HydrophobicContact CB-CH2 3.21Å; A90-W154 HydrophobicContact CB-CZ2 3.71Å; A90-W154 HydrophobicContact CB-CZ3 3.79Å; I139-W154 HydrophobicContact CG2-CH2 4.12Å; V142-W154 HydrophobicContact CG1-CD2 3.89Å; V142-W154 HydrophobicContact CG1-CE3 4.03Å; V142-W154 HydrophobicContact CG1-CG 4.29Å; V142-W154 HydrophobicContact CG1-CH2 4.31Å; V142-W154 HydrophobicContact CG1-CZ2 4.25Å; V142-W154 HydrophobicContact CG1-CZ3 4.24Å; G148-W154 PolarHBondContact O-NE1 3.31Å; M151-W154 HydrophobicContact CG-CE3 4.44Å; M151-W154 HydrophobicContact CG-CZ3 4.47Å; M151-W154 WeakPolarHBondContact O-CB 3.38Å; M151-W154 PolarHBondContact O-N 2.91Å; L152-W154 VanDerWaalsContact C-N 3.32Å; W154-V215 HydrophobicContact CE3-CG1 4.11Å; W154-V215 HydrophobicContact CZ3-CG1 3.79Å
155G72.1Confident80.8Confident28 Ų2870.8 Ų70.829%0.28940%0.403SS..  trans129.919.2-176.700000114.8
156N61Low80.7Confident96 Ų9671.8 Ų71.851%0.51340%0.4SS..  trans-70.1135.4162.3-69.6-35.2000108.4E146 N158E146-N156 PolarHBondContact OE2-ND2 3.02Å; N156-N158 PolarHBondContact O-N 3.02Å
157D63Low80.9Confident152 Ų15273.8 Ų73.881%0.81341%0.41SS*.  trans-68.744.9-179.4-66.8-32.4000112.7N159D157-N159 PolarHBondContact O-N 3.03Å
158N68.9Low81.3Confident85 Ų8570.3 Ų70.346%0.45537%0.374SS..  trans-79.3103.1176.5-69.2-15.3000108N156 E160 L161N156-N158 PolarHBondContact O-N 3.02Å; N158-E160 PolarHBondContact O-N 2.95Å; N158-L161 HydrophobicContact CB-CD1 4.3Å; N158-L161 HydrophobicContact CB-CG 4.39Å; N158-L161 PolarHBondContact O-N 3.02Å
159N73.4Confident81.3Confident141 Ų14169.5 Ų69.575%0.75436%0.364SS*.G310 helixtrans-51.2-28.7175.9-75.9-21.6000113.1D157 L161 S162D157-N159 PolarHBondContact O-N 3.03Å; N159-L161 VanDerWaalsContact C-N 3.26Å; N159-L161 PolarHBondContact O-N 3.4Å; N159-S162 VanDerWaalsContact O-CB 3.27Å; N159-S162 WeakPolarHBondContact O-CB 3.26Å; N159-S162 PolarHBondContact O-N 2.93Å; N159-S162 PolarHBondContact O-OG 2.92Å
160E80Confident81.4Confident182 Ų18268.7 Ų68.785%0.8536%0.362SS*.G310 helixtrans-61.7-30.7178.1-61.7-174.2176.300113.3N158N158-E160 PolarHBondContact O-N 2.95Å
161L84.5Confident81.6Confident13 Ų1365.2 Ų65.27%0.06835%0.348CS..G310 helixtrans-89-5.8-178.8-60.9176.4000113.1S145 E146 N158 N159 L163 L164 Y165S145-L161 WeakPolarHBondContact OG-CD1 3.34Å; S145-L161 WeakPolarHBondContact OG-CD2 3.34Å; E146-L161 HydrophobicContact CG-CD1 4.19Å; E146-L161 WeakPolarHBondContact OE1-CD1 3.31Å; N158-L161 HydrophobicContact CB-CD1 4.3Å; N158-L161 HydrophobicContact CB-CG 4.39Å; N158-L161 PolarHBondContact O-N 3.02Å; N159-L161 VanDerWaalsContact C-N 3.26Å; N159-L161 PolarHBondContact O-N 3.4Å; L161-L163 VanDerWaalsContact C-N 3.29Å; L161-L163 PolarHBondContact O-N 3.42Å; L161-L164 HydrophobicContact CD2-CD1 3.89Å; L161-L164 PolarHBondContact O-N 3Å; L161-Y165 HydrophobicContact CB-CD2 3.88Å; L161-Y165 HydrophobicContact CB-CE2 3.59Å; L161-Y165 HydrophobicContact CD1-CE2 4.34Å; L161-Y165 WeakPolarHBondContact O-CD2 3.38Å; L161-Y165 PolarHBondContact O-N 3.37Å
162S84.4Confident81.9Confident49 Ų4965 Ų6534%0.34335%0.347SS..Hα-helixtrans-56.2-40.6-176.7630000113N159 Y165 F166 W219N159-S162 VanDerWaalsContact O-CB 3.27Å; N159-S162 WeakPolarHBondContact O-CB 3.26Å; N159-S162 PolarHBondContact O-N 2.93Å; N159-S162 PolarHBondContact O-OG 2.92Å; S162-Y165 PolarHBondContact O-N 3.47Å; S162-F166 PolarHBondContact O-N 3.2Å; S162-W219 PolarHBondContact O-NE1 3.43Å
163L87.5Confident82.2Confident119 Ų11962.1 Ų62.162%0.62333%0.333SS*.Hα-helixtrans-63.7-41.9176.7-171.481.8000111.4L161 F166 M167L161-L163 VanDerWaalsContact C-N 3.29Å; L161-L163 PolarHBondContact O-N 3.42Å; L163-F166 WeakPolarHBondContact O-CB 3.28Å; L163-F166 PolarHBondContact O-N 3.41Å; L163-M167 VanDerWaalsContact O-CG 3.28Å; L163-M167 WeakPolarHBondContact O-CG 3.4Å; L163-M167 PolarHBondContact O-N 3.38Å
164L89.8Confident82.6Confident35 Ų3559 Ų5918%0.18331%0.312CS..Hα-helixtrans-67.4-41.9179.4-69.1174.2000111.3L141 V142 L161 F166 M167 M168L141-L164 HydrophobicContact CB-CD1 3.85Å; L141-L164 HydrophobicContact CB-CD2 4.33Å; L141-L164 HydrophobicContact CD1-CD2 3.8Å; V142-L164 HydrophobicContact CG2-CB 3.94Å; V142-L164 HydrophobicContact CG2-CD1 4.1Å; L161-L164 HydrophobicContact CD2-CD1 3.89Å; L161-L164 PolarHBondContact O-N 3Å; L164-F166 VanDerWaalsContact C-N 3.34Å; L164-M167 PolarHBondContact O-N 3.34Å; L164-M168 VanDerWaalsContact O-CG 3.28Å; L164-M168 WeakPolarHBondContact O-CG 3.33Å; L164-M168 PolarHBondContact O-N 2.84Å
165Y88.3Confident83Confident7 Ų758.6 Ų58.63%0.02731%0.311CS..Hα-helixtrans-63-39.9173.6-72.5-67.3000111.9V142 L161 S162 M168 V169 W219V142-Y165 HydrophobicContact CG1-CE1 4.38Å; L161-Y165 HydrophobicContact CB-CD2 3.88Å; L161-Y165 HydrophobicContact CB-CE2 3.59Å; L161-Y165 HydrophobicContact CD1-CE2 4.34Å; L161-Y165 WeakPolarHBondContact O-CD2 3.38Å; L161-Y165 PolarHBondContact O-N 3.37Å; S162-Y165 PolarHBondContact O-N 3.47Å; Y165-M168 WeakPolarHBondContact O-CB 3.32Å; Y165-M168 PolarHBondContact O-N 2.99Å; Y165-V169 WeakPolarHBondContact O-CG2 3.2Å; Y165-V169 PolarHBondContact O-N 3.22Å; Y165-W219 HydrophobicContact CG-CB 4.16Å; Y165-W219 HydrophobicContact CG-CG 4.33Å
166F87Confident83.7Confident85 Ų8557.4 Ų57.437%0.37330%0.298SS..Hα-helixtrans-59.9-47.4173.5178.9-122.2000112.1S162 L163 L164 M168 V169 M170 W219S162-F166 PolarHBondContact O-N 3.2Å; L163-F166 WeakPolarHBondContact O-CB 3.28Å; L163-F166 PolarHBondContact O-N 3.41Å; L164-F166 VanDerWaalsContact C-N 3.34Å; F166-M168 VanDerWaalsContact C-N 3.29Å; F166-M168 PolarHBondContact O-N 3.06Å; F166-V169 PolarHBondContact O-N 3.24Å; F166-M170 HydrophobicContact CD2-CG 4.22Å; F166-M170 HydrophobicContact CE1-CG 4.22Å; F166-M170 HydrophobicContact CE2-CG 3.93Å; F166-M170 HydrophobicContact CE2-SD 4.06Å; F166-M170 HydrophobicContact CZ-CG 3.93Å; F166-M170 HydrophobicContact CZ-SD 4.11Å; F166-M170 WeakPolarHBondContact O-CG 3.23Å; F166-M170 PolarHBondContact O-N 2.98Å; F166-W219 HydrophobicContact CB-CH2 3.5Å; F166-W219 HydrophobicContact CB-CZ2 3.62Å; F166-W219 HydrophobicContact CB-CZ3 3.99Å; F166-W219 AromaticContact CD2-CH2 3.18Å; F166-W219 HydrophobicContact CD2-CH2 3.18Å; F166-W219 HydrophobicContact CD2-CZ2 4.09Å; F166-W219 AromaticContact CD2-CZ3 3.62Å; F166-W219 HydrophobicContact CD2-CZ3 3.62Å; F166-W219 HydrophobicContact CE2-CH2 4.15Å; F166-W219 AromaticContact CG-CH2 3.71Å; F166-W219 HydrophobicContact CG-CH2 3.71Å; F166-W219 HydrophobicContact CG-CZ2 4.2Å; F166-W219 HydrophobicContact CG-CZ3 4.29Å
167M89.9Confident84.7Confident79 Ų7952.9 Ų52.939%0.38927%0.274SS..Hα-helixtrans-60.9-40.1177.1-66.8-59.7-73.300111.3L163 L164 M170 M171L163-M167 VanDerWaalsContact O-CG 3.28Å; L163-M167 WeakPolarHBondContact O-CG 3.4Å; L163-M167 PolarHBondContact O-N 3.38Å; L164-M167 PolarHBondContact O-N 3.34Å; M167-M170 PolarHBondContact O-N 3.09Å; M167-M171 VanDerWaalsContact O-CG 3.3Å; M167-M171 WeakPolarHBondContact O-CG 3.48Å; M167-M171 PolarHBondContact O-N 3Å
168M90.6Very high85.8Confident2 Ų245.9 Ų45.91%0.0124%0.236CC..Hα-helixtrans-61.2-46.7174.6-75.2-67.8-73.900112.5L135 C138 I139 L164 Y165 F166 M170 M171 F172 V215L135-M168 HydrophobicContact CD1-CE 3.55Å; L135-M168 HydrophobicContact CD1-SD 3.52Å; L135-M168 VanDerWaalsContact CD1-SD 3.52Å; L135-M168 HydrophobicContact CG-CE 4.1Å; L135-M168 HydrophobicContact CG-SD 4.08Å; C138-M168 HydrophobicContact CB-CG 3.58Å; C138-M168 HydrophobicContact CB-SD 3.25Å; C138-M168 WeakPolarHBondContact CB-SD 3.44Å; I139-M168 HydrophobicContact CD1-CE 3.9Å; I139-M168 HydrophobicContact CG1-CE 3.31Å; I139-M168 HydrophobicContact CG1-SD 4.02Å; L164-M168 VanDerWaalsContact O-CG 3.28Å; L164-M168 WeakPolarHBondContact O-CG 3.33Å; L164-M168 PolarHBondContact O-N 2.84Å; Y165-M168 WeakPolarHBondContact O-CB 3.32Å; Y165-M168 PolarHBondContact O-N 2.99Å; F166-M168 VanDerWaalsContact C-N 3.29Å; F166-M168 PolarHBondContact O-N 3.06Å; M168-M170 VanDerWaalsContact C-N 3.33Å; M168-M170 PolarHBondContact O-N 3.45Å; M168-M171 PolarHBondContact O-N 3.45Å; M168-F172 HydrophobicContact CE-CE2 3.85Å; M168-F172 HydrophobicContact CE-CZ 4.32Å; M168-F172 WeakPolarHBondContact O-CD2 3.43Å; M168-F172 PolarHBondContact O-N 3.13Å; M168-V215 HydrophobicContact CE-CB 4.44Å; M168-V215 HydrophobicContact CE-CG1 3.44Å; M168-V215 VanDerWaalsContact CE-CG1 3.44Å
169V88.5Confident86.8Confident9 Ų943.4 Ų43.46%0.05522%0.224CC..Hα-helixtrans-58.6-47175171.60000110.1Y165 F166 M171 F172 C173 C216 W219 L220Y165-V169 WeakPolarHBondContact O-CG2 3.2Å; Y165-V169 PolarHBondContact O-N 3.22Å; F166-V169 PolarHBondContact O-N 3.24Å; V169-M171 VanDerWaalsContact C-N 3.32Å; V169-M171 PolarHBondContact O-N 2.98Å; V169-F172 PolarHBondContact O-N 2.9Å; V169-F172 VanDerWaalsContact O-N 3.11Å; V169-C173 WeakPolarHBondContact O-CB 3.28Å; V169-C173 PolarHBondContact O-N 3.47Å; V169-C173 PolarHBondContact O-SG 3.18Å; V169-C216 HydrophobicContact CG2-CB 3.51Å; V169-W219 HydrophobicContact CB-CE3 4.48Å; V169-W219 HydrophobicContact CB-CZ3 4.35Å; V169-W219 HydrophobicContact CG2-CE3 3.82Å; V169-W219 HydrophobicContact CG2-CZ3 4.17Å; V169-L220 HydrophobicContact CG2-CD2 4.46Å
170M88.7Confident87.6Confident68 Ų6840.9 Ų40.934%0.33522%0.216SC..Hα-helixtrans-58.7-41.3177.2-69.7-61-67.800112.5F166 M167 M168 C173 T174F166-M170 HydrophobicContact CD2-CG 4.22Å; F166-M170 HydrophobicContact CE1-CG 4.22Å; F166-M170 HydrophobicContact CE2-CG 3.93Å; F166-M170 HydrophobicContact CE2-SD 4.06Å; F166-M170 HydrophobicContact CZ-CG 3.93Å; F166-M170 HydrophobicContact CZ-SD 4.11Å; F166-M170 WeakPolarHBondContact O-CG 3.23Å; F166-M170 PolarHBondContact O-N 2.98Å; M167-M170 PolarHBondContact O-N 3.09Å; M168-M170 VanDerWaalsContact C-N 3.33Å; M168-M170 PolarHBondContact O-N 3.45Å; M170-C173 PolarHBondContact O-N 3.35Å; M170-T174 PolarHBondContact O-N 3.2Å; M170-T174 VanDerWaalsContact O-N 3.17Å
171M92.1Very high88Confident30 Ų3036 Ų3615%0.14819%0.192CC..Hα-helixtrans-69.9-28.6176.7-66-51.9105.700113.3P134 L135 M167 M168 V169 T174P134-M171 HydrophobicContact CB-CG 4.2Å; P134-M171 HydrophobicContact CB-SD 3.82Å; P134-M171 HydrophobicContact CG-SD 4.22Å; L135-M171 HydrophobicContact CB-CB 4.11Å; L135-M171 HydrophobicContact CB-CG 4.42Å; L135-M171 HydrophobicContact CD1-CB 3.73Å; M167-M171 VanDerWaalsContact O-CG 3.3Å; M167-M171 WeakPolarHBondContact O-CG 3.48Å; M167-M171 PolarHBondContact O-N 3Å; M168-M171 PolarHBondContact O-N 3.45Å; V169-M171 VanDerWaalsContact C-N 3.32Å; V169-M171 PolarHBondContact O-N 2.98Å; M171-T174 PolarHBondContact O-OG1 3.25Å
172F90Very high88.3Confident0 Ų037 Ų370%020%0.196CC..Hα-helixtrans-77-34.4169.9-74.6-61.8000112.1F93 L135 M168 V169 T174 K175 I176 V212 V215F93-F172 AromaticContact CE1-CE1 3.98Å; F93-F172 HydrophobicContact CE1-CE1 3.98Å; F93-F172 AromaticContact CE1-CZ 3.85Å; F93-F172 HydrophobicContact CE1-CZ 3.85Å; F93-F172 HydrophobicContact CZ-CE1 4.31Å; F93-F172 HydrophobicContact CZ-CZ 4.39Å; L135-F172 HydrophobicContact CD1-CD1 4.31Å; L135-F172 HydrophobicContact CD1-CD2 4.02Å; L135-F172 HydrophobicContact CD1-CE1 4.02Å; L135-F172 HydrophobicContact CD1-CE2 3.73Å; L135-F172 HydrophobicContact CD1-CG 4.3Å; L135-F172 HydrophobicContact CD1-CZ 3.73Å; L135-F172 HydrophobicContact CD2-CE1 4.02Å; L135-F172 HydrophobicContact CD2-CZ 4.18Å; L135-F172 HydrophobicContact CG-CZ 4.48Å; M168-F172 HydrophobicContact CE-CE2 3.85Å; M168-F172 HydrophobicContact CE-CZ 4.32Å; M168-F172 WeakPolarHBondContact O-CD2 3.43Å; M168-F172 PolarHBondContact O-N 3.13Å; V169-F172 PolarHBondContact O-N 2.9Å; V169-F172 VanDerWaalsContact O-N 3.11Å; F172-T174 PolarHBondContact O-N 2.92Å; F172-K175 CarbonylContact O-C 3.55Å; F172-K175 WeakPolarHBondContact O-CA 3.12Å; F172-K175 WeakPolarHBondContact O-CB 3.44Å; F172-K175 PolarHBondContact O-N 2.91Å; F172-I176 PolarHBondContact O-N 3.22Å; F172-V212 HydrophobicContact CB-CG2 3.43Å; F172-V212 VanDerWaalsContact CB-CG2 3.43Å; F172-V212 HydrophobicContact CD2-CG2 4.31Å; F172-V212 HydrophobicContact CG-CG2 4.05Å; F172-V215 HydrophobicContact CE2-CB 3.96Å; F172-V215 HydrophobicContact CE2-CG1 4.34Å; F172-V215 HydrophobicContact CE2-CG2 4.18Å; F172-V215 HydrophobicContact CZ-CB 4.37Å; F172-V215 HydrophobicContact CZ-CG2 4.08Å
173C87.5Confident88.4Confident23 Ų2336.5 Ų36.516%0.15519%0.193CC..Hα-helixtrans-67.4-12.5174.2-710000114V169 M170 K175 I176 L178V169-C173 WeakPolarHBondContact O-CB 3.28Å; V169-C173 PolarHBondContact O-N 3.47Å; V169-C173 PolarHBondContact O-SG 3.18Å; M170-C173 PolarHBondContact O-N 3.35Å; C173-K175 VanDerWaalsContact C-N 3.31Å; C173-I176 CarbonylContact C-O 3.51Å; C173-L178 HydrophobicContact CB-CD1 4.19Å
174T87.7Confident88.5Confident14 Ų1431.9 Ų31.99%0.08617%0.167CC..THydrogen-bonded Turntrans-78.2-22.5166.257.90000112S131 M170 M171 F172 F181 W184S131-T174 WeakPolarHBondContact CB-OG1 3.22Å; M170-T174 PolarHBondContact O-N 3.2Å; M170-T174 VanDerWaalsContact O-N 3.17Å; M171-T174 PolarHBondContact O-OG1 3.25Å; F172-T174 PolarHBondContact O-N 2.92Å; T174-F181 HydrophobicContact CG2-CB 4.26Å; T174-F181 HydrophobicContact CG2-CD1 4.21Å; T174-F181 HydrophobicContact CG2-CD2 3.73Å; T174-F181 HydrophobicContact CG2-CE2 4.05Å; T174-F181 HydrophobicContact CG2-CG 3.81Å; T174-F181 HydrophobicContact CG2-CZ 4.42Å; T174-W184 PolarHBondContact O-NE1 2.91Å
175K88.2Confident88.6Confident14 Ų1430.2 Ų30.26%0.06116%0.158CC..THydrogen-bonded Turntrans-96.1-31-177.5-54.4-169.8179.2174.60112Y97 E98 I101 S131 F172 C173 P177Y97-K175 HydrophobicContact CD1-CD 4.46Å; Y97-K175 HydrophobicContact CE1-CD 3.28Å; Y97-K175 VanDerWaalsContact CZ-CD 3.49Å; Y97-K175 WeakPolarHBondContact OH-CB 3.27Å; Y97-K175 WeakPolarHBondContact OH-CD 3.29Å; E98-K175 IonicContact OE1-NZ 2.64Å; E98-K175 PolarHBondContact OE1-NZ 3.38Å; I101-K175 HydrophobicContact CD1-CD 4.26Å; S131-K175 WeakPolarHBondContact OG-CE 3.18Å; F172-K175 CarbonylContact O-C 3.55Å; F172-K175 WeakPolarHBondContact O-CA 3.12Å; F172-K175 WeakPolarHBondContact O-CB 3.44Å; F172-K175 PolarHBondContact O-N 2.91Å; C173-K175 VanDerWaalsContact C-N 3.31Å; K175-P177 WeakPolarHBondContact O-CD 3.33Å
176I86.4Confident88.8Confident3 Ų330.2 Ų30.22%0.01516%0.159CC..THydrogen-bonded Turntrans-81.6105.5159.7-53.6153.9000105.1F172 C173 L178 M209 V212 M261 V265F172-I176 PolarHBondContact O-N 3.22Å; C173-I176 CarbonylContact C-O 3.51Å; I176-L178 HydrophobicContact CG2-CD1 4.5Å; I176-L178 HydrophobicContact CG2-CD2 4.39Å; I176-L178 HydrophobicContact CG2-CG 4.1Å; I176-L178 PolarHBondContact O-N 2.68Å; I176-M209 HydrophobicContact CB-SD 4.33Å; I176-M209 HydrophobicContact CD1-CG 4.23Å; I176-M209 HydrophobicContact CD1-SD 3.33Å; I176-M209 WeakPolarHBondContact CD1-SD 3.18Å; I176-M209 HydrophobicContact CG1-CG 4.05Å; I176-M209 HydrophobicContact CG1-SD 3.63Å; I176-M209 HydrophobicContact CG2-SD 3.75Å; I176-V212 HydrophobicContact CD1-CG2 3.53Å; I176-M261 HydrophobicContact CG2-CE 4.34Å; I176-V265 HydrophobicContact CG2-CG2 3.7Å
177P82.2Confident89Confident1 Ų129.9 Ų29.91%0.00616%0.159CC..THydrogen-bonded Turntrans-70.975.2-165.433.8-41.4000112.1K175 H182 W184 L185 M205 L258K175-P177 WeakPolarHBondContact O-CD 3.33Å; P177-H182 HydrophobicContact CB-CB 4.38Å; P177-W184 HydrophobicContact CB-CZ2 4.28Å; P177-L185 HydrophobicContact CB-CB 4.44Å; P177-L185 HydrophobicContact CB-CD1 3.91Å; P177-L185 HydrophobicContact CG-CD1 3.51Å; P177-M205 HydrophobicContact CG-CE 3.59Å; P177-L258 HydrophobicContact CB-CD2 3.46Å; P177-L258 VanDerWaalsContact CB-CD2 3.46Å; P177-L258 HydrophobicContact CG-CD2 3.45Å; P177-L258 VanDerWaalsContact CG-CD2 3.45Å
178L87.4Confident89.2Confident4 Ų426.2 Ų26.22%0.02114%0.141CC..  trans-88.3160.6176.6-64.9176.2000110C173 I176 P180 F181 H182 I232 V262 V265C173-L178 HydrophobicContact CB-CD1 4.19Å; I176-L178 HydrophobicContact CG2-CD1 4.5Å; I176-L178 HydrophobicContact CG2-CD2 4.39Å; I176-L178 HydrophobicContact CG2-CG 4.1Å; I176-L178 PolarHBondContact O-N 2.68Å; L178-P180 CarbonylContact O-C 3.6Å; L178-F181 CarbonylContact O-C 3.59Å; L178-F181 VanDerWaalsContact O-C 3.26Å; L178-F181 WeakPolarHBondContact O-CA 3.4Å; L178-F181 PolarHBondContact O-N 3Å; L178-H182 PolarHBondContact O-N 3.41Å; L178-I232 HydrophobicContact CB-CG2 4.16Å; L178-I232 HydrophobicContact CD2-CG2 4.19Å; L178-V262 HydrophobicContact CD2-CB 4.2Å; L178-V262 HydrophobicContact CD2-CG1 3.96Å; L178-V262 HydrophobicContact CD2-CG2 3.73Å; L178-V265 HydrophobicContact CD1-CG1 4.2Å; L178-V265 HydrophobicContact CD1-CG2 4.29Å; L178-V265 HydrophobicContact CD2-CG2 4.15Å
179V89.8Confident89.3Confident34 Ų3426.1 Ų26.121%0.20614%0.141CC..SBendtrans-65.4128.9169.7-178.80000108.4V235 F239V179-V235 HydrophobicContact CB-CG1 4.39Å; V179-V235 HydrophobicContact CG1-CG1 3.87Å; V179-V235 HydrophobicContact CG2-CG1 4.18Å; V179-F239 HydrophobicContact CG2-CE1 4.39Å; V179-F239 HydrophobicContact CG2-CE2 3.74Å; V179-F239 HydrophobicContact CG2-CZ 3.44Å; V179-F239 VanDerWaalsContact CG2-CZ 3.44Å
180P88.3Confident89.4Confident88 Ų8825.7 Ų25.757%0.57114%0.139SC*.SBendcis-93.9-8.87.835.7-35.5000115.9L178 H182L178-P180 CarbonylContact O-C 3.6Å; P180-H182 VanDerWaalsContact C-N 3.31Å; P180-H182 PolarHBondContact O-N 3.46Å; P180-H182 PolarHBondContact O-ND1 2.65Å; P180-H182 VanDerWaalsContact O-ND1 3.14Å
181F89.3Confident89.6Confident80 Ų8023 Ų2335%0.35113%0.125SC..THydrogen-bonded Turntrans-84.351.3-173.8-56.3-68.7000114.9Y127 T174 L178 W184Y127-F181 HydrophobicContact CE1-CB 4.34Å; Y127-F181 HydrophobicContact CE1-CD1 4.32Å; T174-F181 HydrophobicContact CG2-CB 4.26Å; T174-F181 HydrophobicContact CG2-CD1 4.21Å; T174-F181 HydrophobicContact CG2-CD2 3.73Å; T174-F181 HydrophobicContact CG2-CE2 4.05Å; T174-F181 HydrophobicContact CG2-CG 3.81Å; T174-F181 HydrophobicContact CG2-CZ 4.42Å; L178-F181 CarbonylContact O-C 3.59Å; L178-F181 VanDerWaalsContact O-C 3.26Å; L178-F181 WeakPolarHBondContact O-CA 3.4Å; L178-F181 PolarHBondContact O-N 3Å; F181-W184 PolarHBondContact O-NE1 2.9Å
182H90.5Very high89.6Confident32 Ų3221.6 Ų21.615%0.14812%0.118CC..THydrogen-bonded Turntrans-113.8-17.2-175.362.4-83.6000114.4P177 L178 P180 W184 L185 P186 F239 W242 L258P177-H182 HydrophobicContact CB-CB 4.38Å; L178-H182 PolarHBondContact O-N 3.41Å; P180-H182 VanDerWaalsContact C-N 3.31Å; P180-H182 PolarHBondContact O-N 3.46Å; P180-H182 PolarHBondContact O-ND1 2.65Å; P180-H182 VanDerWaalsContact O-ND1 3.14Å; H182-W184 VanDerWaalsContact C-N 3.26Å; H182-W184 PolarHBondContact O-N 3.4Å; H182-W184 VanDerWaalsContact O-N 3.17Å; H182-L185 PolarHBondContact O-N 3.48Å; H182-L185 VanDerWaalsContact O-N 3.09Å; H182-P186 VanDerWaalsContact O-CD 3.31Å; H182-P186 WeakPolarHBondContact O-CD 3.4Å; H182-F239 HydrophobicContact CB-CZ 4.02Å; H182-F239 AromaticContact CD2-CE1 3.42Å; H182-F239 VanDerWaalsContact CD2-CE1 3.42Å; H182-F239 WeakPolarHBondContact CD2-CE1 3.16Å; H182-F239 AromaticContact CD2-CZ 3.65Å; H182-F239 AromaticContact CG-CE1 3.85Å; H182-F239 AromaticContact CG-CZ 3.56Å; H182-F239 AromaticContact ND1-CZ 3.87Å; H182-F239 AromaticContact NE2-CE1 3.62Å; H182-W242 AromaticContact CD2-CZ3 3.87Å; H182-W242 AromaticContact NE2-CZ3 3.72Å; H182-L258 HydrophobicContact CB-CD1 4.03Å; H182-L258 HydrophobicContact CB-CD2 4.12Å
183S87.6Confident89.5Confident40 Ų4022.7 Ų22.728%0.2813%0.126SC..THydrogen-bonded Turntrans-62.7-26.9-167.653.30000114.6Y127 L185Y127-S183 PolarHBondContact OH-OG 3.37Å; S183-L185 PolarHBondContact O-N 2.9Å
184W89.7Confident89.6Confident22 Ų2221.8 Ų21.88%0.08312%0.12CC..Hα-helixtrans-64.5-30.917761.5-85.3000113Y127 T174 P177 F181 H182 M187 V188 L200Y127-W184 AromaticContact CD1-CD1 3.8Å; Y127-W184 HydrophobicContact CD1-CG 4.47Å; Y127-W184 HydrophobicContact CD2-CB 3.52Å; Y127-W184 AromaticContact CD2-CD1 3.84Å; Y127-W184 AromaticContact CD2-CG 3.78Å; Y127-W184 HydrophobicContact CD2-CG 3.78Å; Y127-W184 AromaticContact CE1-CD1 3.64Å; Y127-W184 HydrophobicContact CE1-CG 4.49Å; Y127-W184 HydrophobicContact CE2-CB 3.44Å; Y127-W184 VanDerWaalsContact CE2-CB 3.44Å; Y127-W184 AromaticContact CE2-CD1 3.78Å; Y127-W184 AromaticContact CE2-CG 3.89Å; Y127-W184 HydrophobicContact CE2-CG 3.89Å; Y127-W184 HydrophobicContact CG-CB 4.35Å; Y127-W184 AromaticContact CG-CD1 3.9Å; Y127-W184 HydrophobicContact CG-CG 4.14Å; Y127-W184 AromaticContact CZ-CD1 3.64Å; T174-W184 PolarHBondContact O-NE1 2.91Å; P177-W184 HydrophobicContact CB-CZ2 4.28Å; F181-W184 PolarHBondContact O-NE1 2.9Å; H182-W184 VanDerWaalsContact C-N 3.26Å; H182-W184 PolarHBondContact O-N 3.4Å; H182-W184 VanDerWaalsContact O-N 3.17Å; W184-M187 PolarHBondContact O-N 3.29Å; W184-V188 HydrophobicContact CE3-CG2 4.3Å; W184-V188 VanDerWaalsContact O-CB 3.29Å; W184-V188 WeakPolarHBondContact O-CB 3.39Å; W184-V188 WeakPolarHBondContact O-CG2 3.39Å; W184-V188 PolarHBondContact O-N 3.29Å; W184-L200 HydrophobicContact CZ3-CD1 4.24Å; W184-L200 HydrophobicContact CZ3-CD2 4.5Å
185L90.8Very high89.6Confident0 Ų021.3 Ų21.30%012%0.117CC..Hα-helixtrans-70.8-51.6-167.1-168.3154.3000112.3P177 H182 S183 M187 V188 H189 M205 A254 L258P177-L185 HydrophobicContact CB-CB 4.44Å; P177-L185 HydrophobicContact CB-CD1 3.91Å; P177-L185 HydrophobicContact CG-CD1 3.51Å; H182-L185 PolarHBondContact O-N 3.48Å; H182-L185 VanDerWaalsContact O-N 3.09Å; S183-L185 PolarHBondContact O-N 2.9Å; L185-M187 VanDerWaalsContact C-N 3.27Å; L185-M187 PolarHBondContact O-N 3.42Å; L185-V188 PolarHBondContact O-N 3.32Å; L185-H189 WeakPolarHBondContact CD2-CD2 3.35Å; L185-H189 WeakPolarHBondContact O-CB 3.41Å; L185-H189 PolarHBondContact O-CD2 3.37Å; L185-H189 VanDerWaalsContact O-CD2 3.29Å; L185-H189 PolarHBondContact O-N 3.29Å; L185-M205 HydrophobicContact CD1-CE 3.33Å; L185-M205 HydrophobicContact CD1-CG 4.08Å; L185-M205 HydrophobicContact CD1-SD 3.65Å; L185-A254 HydrophobicContact CD2-CB 3.58Å; L185-L258 HydrophobicContact CB-CD2 4.2Å; L185-L258 HydrophobicContact CD1-CD2 3.99Å; L185-L258 HydrophobicContact CD2-CD2 4.29Å; L185-L258 HydrophobicContact CG-CD2 4.4Å
186P91.9Very high89.7Confident7 Ų720.8 Ų20.85%0.04512%0.115CC..Hα-helixtrans-57.9-38.5175.3-25.135.7000113.2H182 A190 W242 A254 V255 L258H182-P186 VanDerWaalsContact O-CD 3.31Å; H182-P186 WeakPolarHBondContact O-CD 3.4Å; P186-A190 WeakPolarHBondContact O-CB 3.35Å; P186-A190 PolarHBondContact O-N 3.07Å; P186-A190 VanDerWaalsContact O-N 3.1Å; P186-W242 HydrophobicContact CG-CH2 4.4Å; P186-A254 HydrophobicContact CB-CB 4.41Å; P186-V255 HydrophobicContact CB-CG2 4.25Å; P186-V255 HydrophobicContact CG-CG2 3.89Å; P186-L258 HydrophobicContact CG-CD1 4.26Å
187M92Very high89.9Confident77 Ų7720.7 Ų20.738%0.37911%0.114SC..Hα-helixtrans-66.5-47.6178.9-65.4-176178.200112Y123 W184 L185 A190 E191Y123-M187 HydrophobicContact CD2-SD 3.71Å; Y123-M187 HydrophobicContact CE1-SD 4.46Å; Y123-M187 HydrophobicContact CE2-CE 4.44Å; Y123-M187 HydrophobicContact CE2-SD 3.5Å; Y123-M187 WeakPolarHBondContact CE2-SD 3.26Å; Y123-M187 HydrophobicContact CG-SD 4.29Å; W184-M187 PolarHBondContact O-N 3.29Å; L185-M187 VanDerWaalsContact C-N 3.27Å; L185-M187 PolarHBondContact O-N 3.42Å; M187-A190 PolarHBondContact O-N 3.49Å; M187-E191 PolarHBondContact O-N 2.95Å
188V93.2Very high90.3Very high2 Ų220.6 Ų20.61%0.01211%0.114CC..Hα-helixtrans-66.7-40.6-178.7171.60000111.1L108 M124 W184 L185 E191 A192 L200L108-V188 HydrophobicContact CD1-CB 4.47Å; L108-V188 HydrophobicContact CD1-CG1 3.6Å; M124-V188 HydrophobicContact CB-CG2 4.24Å; M124-V188 HydrophobicContact SD-CG1 4.43Å; W184-V188 HydrophobicContact CE3-CG2 4.3Å; W184-V188 VanDerWaalsContact O-CB 3.29Å; W184-V188 WeakPolarHBondContact O-CB 3.39Å; W184-V188 WeakPolarHBondContact O-CG2 3.39Å; W184-V188 PolarHBondContact O-N 3.29Å; L185-V188 PolarHBondContact O-N 3.32Å; V188-E191 PolarHBondContact O-N 2.64Å; V188-A192 WeakPolarHBondContact O-CB 3.41Å; V188-A192 PolarHBondContact O-N 3.25Å; V188-L200 HydrophobicContact CB-CD2 4.25Å; V188-L200 HydrophobicContact CG1-CD2 3.34Å
189H92.7Very high90.4Very high0 Ų020.4 Ų20.40%011%0.113CC..Hα-helixtrans-68.1-33.7177.8-85.1-81.9000113.4L185 E191 S197 L200 K250 A254 F294L185-H189 WeakPolarHBondContact CD2-CD2 3.35Å; L185-H189 WeakPolarHBondContact O-CB 3.41Å; L185-H189 PolarHBondContact O-CD2 3.37Å; L185-H189 VanDerWaalsContact O-CD2 3.29Å; L185-H189 PolarHBondContact O-N 3.29Å; H189-E191 VanDerWaalsContact C-N 3.31Å; H189-E191 PolarHBondContact O-N 3.42Å; H189-S197 PolarHBondContact CE1-O 2.97Å; H189-S197 WeakPolarHBondContact ND1-CB 3.27Å; H189-L200 WeakPolarHBondContact NE2-CD2 3.45Å; H189-K250 WeakPolarHBondContact O-CD 3.14Å; H189-A254 HydrophobicContact CB-CB 3.86Å; H189-F294 AromaticContact CE1-CE2 3.72Å; H189-F294 AromaticContact CE1-CZ 3.63Å; H189-F294 AromaticContact CG-CZ 4Å; H189-F294 AromaticContact ND1-CE1 3.88Å; H189-F294 AromaticContact ND1-CE2 3.7Å; H189-F294 AromaticContact ND1-CZ 3.14Å; H189-F294 WeakPolarHBondContact ND1-CZ 3.43Å
190A92.3Very high90.4Very high1 Ų119 Ų191%0.00810%0.104CC..Hα-helixtrans-60.5-42.5175.100000111.4P186 M187 R251 R307P186-A190 WeakPolarHBondContact O-CB 3.35Å; P186-A190 PolarHBondContact O-N 3.07Å; P186-A190 VanDerWaalsContact O-N 3.1Å; M187-A190 PolarHBondContact O-N 3.49Å; A190-R251 HydrophobicContact CB-CG 3.81Å; A190-R307 PolarHBondContact O-NH1 3.23Å; A190-R307 PolarHBondContact O-NH2 3.43Å
191E92Very high90.4Very high12 Ų1214.9 Ų14.96%0.0568%0.077CC..Hα-helixtrans-90.3-24.7-173.6-56.8-45.4125.400113.8S112 Y114 E116 A120 M187 V188 H189S112-E191 WeakPolarHBondContact CB-O 3.21Å; Y114-E191 WeakPolarHBondContact CB-OE2 3.27Å; E116-E191 HydrophobicContact CB-CG 4.19Å; A120-E191 HydrophobicContact CB-CB 4.01Å; A120-E191 HydrophobicContact CB-CG 3.88Å; M187-E191 PolarHBondContact O-N 2.95Å; V188-E191 PolarHBondContact O-N 2.64Å; H189-E191 VanDerWaalsContact C-N 3.31Å; H189-E191 PolarHBondContact O-N 3.42Å
192A91.4Very high90.3Very high0 Ų011 Ų110%06%0.061CC..SBendtrans-64.4142.7179.600000112.8V188 V196 K250V188-A192 WeakPolarHBondContact O-CB 3.41Å; V188-A192 PolarHBondContact O-N 3.25Å; A192-V196 HydrophobicContact CB-CB 4.3Å; A192-V196 HydrophobicContact CB-CG1 4.15Å; A192-K250 PolarHBondContact O-NZ 3.06Å
193S89.4Confident90.3Very high23 Ų239.5 Ų9.516%0.1615%0.053CC..  trans-61.9147.9165.164.50000110.2V196 S197S193-V196 CarbonylContact O-C 3.5Å; S193-V196 WeakPolarHBondContact O-CA 3.39Å; S193-V196 WeakPolarHBondContact O-CB 3.24Å; S193-V196 PolarHBondContact O-N 3.44Å; S193-V196 WeakPolarHBondContact OG-CG2 3.37Å; S193-S197 PolarHBondContact O-N 2.92Å
194S88.3Confident90.5Very high4 Ų48.2 Ų8.23%0.0284%0.043CC..Hα-helixtrans-61-37.4-168.4-48.50000114.8V196 S197 V198 W298S194-V196 VanDerWaalsContact C-N 3.27Å; S194-V196 PolarHBondContact O-N 3.09Å; S194-S197 VanDerWaalsContact CA-OG 3.29Å; S194-S197 WeakPolarHBondContact CA-OG 3.48Å; S194-S197 PolarHBondContact O-N 3.38Å; S194-S197 PolarHBondContact O-OG 3.04Å; S194-V198 WeakPolarHBondContact O-CG2 3.47Å; S194-V198 PolarHBondContact O-N 3.44Å; S194-W298 VanDerWaalsContact CB-CB 3.42Å; S194-W298 WeakPolarHBondContact OG-CB 3.33Å; S194-W298 VanDerWaalsContact OG-CD1 3.31Å
195P88Confident90.4Very high3 Ų37.2 Ų7.22%0.0194%0.039CC..Hα-helixtrans-70.9-23.5174.2-2033.2000113.3V65 L69 V199 W298V65-P195 HydrophobicContact CG1-CB 4.31Å; L69-P195 HydrophobicContact CB-CB 4.4Å; L69-P195 HydrophobicContact CD1-CB 3.5Å; L69-P195 VanDerWaalsContact CD1-CB 3.5Å; L69-P195 HydrophobicContact CD1-CG 3.53Å; L69-P195 HydrophobicContact CG-CB 4.08Å; L69-P195 HydrophobicContact CG-CG 3.83Å; P195-V199 PolarHBondContact O-N 3.11Å; P195-W298 HydrophobicContact CG-CE3 4.47Å; P195-W298 HydrophobicContact CG-CZ3 4.46Å
196V89.9Confident90.5Very high4 Ų47.2 Ų7.22%0.0244%0.039CC..Hα-helixtrans-72.6-38.2169.5178.30000110.2L107 A192 S193 S194 V198 V199 L200L107-V196 HydrophobicContact CB-CG1 4.42Å; L107-V196 HydrophobicContact CB-CG2 3.76Å; A192-V196 HydrophobicContact CB-CB 4.3Å; A192-V196 HydrophobicContact CB-CG1 4.15Å; S193-V196 CarbonylContact O-C 3.5Å; S193-V196 WeakPolarHBondContact O-CA 3.39Å; S193-V196 WeakPolarHBondContact O-CB 3.24Å; S193-V196 PolarHBondContact O-N 3.44Å; S193-V196 WeakPolarHBondContact OG-CG2 3.37Å; S194-V196 VanDerWaalsContact C-N 3.27Å; S194-V196 PolarHBondContact O-N 3.09Å; V196-V198 VanDerWaalsContact C-N 3.34Å; V196-V199 PolarHBondContact O-N 3.17Å; V196-L200 WeakPolarHBondContact O-CB 3.44Å; V196-L200 PolarHBondContact O-N 3.4Å
197S91.3Very high90.4Very high0 Ų06.9 Ų6.90%04%0.037CC..Hα-helixtrans-65.5-36.8173.864.60000112.2H189 S193 S194 V199 L200 S201 F294H189-S197 PolarHBondContact CE1-O 2.97Å; H189-S197 WeakPolarHBondContact ND1-CB 3.27Å; S193-S197 PolarHBondContact O-N 2.92Å; S194-S197 VanDerWaalsContact CA-OG 3.29Å; S194-S197 WeakPolarHBondContact CA-OG 3.48Å; S194-S197 PolarHBondContact O-N 3.38Å; S194-S197 PolarHBondContact O-OG 3.04Å; S197-V199 VanDerWaalsContact C-N 3.33Å; S197-V199 PolarHBondContact O-N 3.29Å; S197-L200 PolarHBondContact O-N 3.25Å; S197-S201 PolarHBondContact O-N 3.04Å; S197-S201 PolarHBondContact O-OG 2.79Å; S197-F294 VanDerWaalsContact OG-CD1 3.29Å; S197-F294 WeakPolarHBondContact OG-CD1 3.45Å
198V91.1Very high90.3Very high0 Ų03.2 Ų3.20%02%0.019CC..Hα-helixtrans-58.9-43.7172170.10000111.2M61 V65 S194 V196 G202 F294 M295M61-V198 HydrophobicContact SD-CG1 4.03Å; V65-V198 HydrophobicContact CG2-CB 4.39Å; V65-V198 HydrophobicContact CG2-CG1 3.9Å; S194-V198 WeakPolarHBondContact O-CG2 3.47Å; S194-V198 PolarHBondContact O-N 3.44Å; V196-V198 VanDerWaalsContact C-N 3.34Å; V198-G202 WeakPolarHBondContact O-CA 3.31Å; V198-G202 PolarHBondContact O-N 3.13Å; V198-F294 HydrophobicContact CG2-CB 3.64Å; V198-M295 HydrophobicContact CG2-CG 3.92Å; V198-M295 HydrophobicContact CG2-SD 3.95Å
199V89.6Confident90.2Very high0 Ų03.3 Ų3.30%02%0.019CC..Hα-helixtrans-64-46.4175.7156.60000111.5V65 L74 M78 P195 V196 S197 G202 Y203 M204V65-V199 HydrophobicContact CG2-CG2 4.29Å; L74-V199 HydrophobicContact CD2-CG2 3.75Å; M78-V199 HydrophobicContact SD-CG2 4.02Å; P195-V199 PolarHBondContact O-N 3.11Å; V196-V199 PolarHBondContact O-N 3.17Å; S197-V199 VanDerWaalsContact C-N 3.33Å; S197-V199 PolarHBondContact O-N 3.29Å; V199-G202 PolarHBondContact O-N 2.87Å; V199-Y203 HydrophobicContact CB-CE1 3.92Å; V199-Y203 HydrophobicContact CG1-CE1 3.49Å; V199-Y203 VanDerWaalsContact CG1-CE1 3.49Å; V199-Y203 HydrophobicContact CG1-CE2 4.35Å; V199-Y203 VanDerWaalsContact CG1-CZ 3.42Å; V199-Y203 WeakPolarHBondContact CG1-OH 3.23Å; V199-Y203 HydrophobicContact CG2-CE1 3.93Å; V199-Y203 PolarHBondContact O-N 2.66Å; V199-M204 HydrophobicContact CG1-CG 4.28Å; V199-M204 WeakPolarHBondContact O-CG 3.46Å; V199-M204 PolarHBondContact O-N 3.48Å
200L89.7Confident90Very high5 Ų53.4 Ų3.43%0.0262%0.02CC..Iπ-helixtrans-64.8-50.3-176.5-170.467.3000112.6W184 V188 H189 V196 S197 M204 M205W184-L200 HydrophobicContact CZ3-CD1 4.24Å; W184-L200 HydrophobicContact CZ3-CD2 4.5Å; V188-L200 HydrophobicContact CB-CD2 4.25Å; V188-L200 HydrophobicContact CG1-CD2 3.34Å; H189-L200 WeakPolarHBondContact NE2-CD2 3.45Å; V196-L200 WeakPolarHBondContact O-CB 3.44Å; V196-L200 PolarHBondContact O-N 3.4Å; S197-L200 PolarHBondContact O-N 3.25Å; L200-M204 HydrophobicContact CD1-CB 4.09Å; L200-M204 HydrophobicContact CD1-CG 4.16Å; L200-M204 VanDerWaalsContact O-CB 3.28Å; L200-M204 WeakPolarHBondContact O-CB 3.09Å; L200-M204 PolarHBondContact O-N 3.11Å; L200-M205 PolarHBondContact O-N 3.43Å
201S88.3Confident89.8Confident0 Ų03.3 Ų3.30%02%0.02CC..Iπ-helixtrans-77-32.3176.3620000112.1S197 K206 V290 F294S197-S201 PolarHBondContact O-N 3.04Å; S197-S201 PolarHBondContact O-OG 2.79Å; S201-K206 PolarHBondContact O-NZ 3.42Å; S201-V290 WeakPolarHBondContact OG-CG1 3.41Å; S201-F294 VanDerWaalsContact OG-CD2 3.26Å; S201-F294 WeakPolarHBondContact OG-CD2 3.47Å; S201-F294 WeakPolarHBondContact OG-CE2 3.26Å
202G87.6Confident89.6Confident0 Ų03.1 Ų3.10%02%0.019CC..Iπ-helixtrans-60.6-65.7-173.100000110.9L57 V198 V199 K206L57-G202 WeakPolarHBondContact CD2-O 3.32Å; V198-G202 WeakPolarHBondContact O-CA 3.31Å; V198-G202 PolarHBondContact O-N 3.13Å; V199-G202 PolarHBondContact O-N 2.87Å; G202-K206 WeakPolarHBondContact O-CD 3.38Å; G202-K206 PolarHBondContact O-NZ 3.34Å
203Y90.5Very high89.4Confident0 Ų04 Ų40%02%0.024CC..Iπ-helixtrans-119.2-28.4-177.165.2-95.5000114.5V58 S77 M78 A81 V199 M205 K206 L207V58-Y203 HydrophobicContact CG2-CD1 4.35Å; V58-Y203 HydrophobicContact CG2-CG 4.1Å; S77-Y203 VanDerWaalsContact C-OH 3.32Å; S77-Y203 WeakPolarHBondContact CB-OH 3.47Å; S77-Y203 PolarHBondContact O-OH 3.06Å; S77-Y203 PolarHBondContact OG-OH 3.18Å; M78-Y203 HydrophobicContact CE-CD1 4.21Å; M78-Y203 HydrophobicContact CE-CE1 3.85Å; M78-Y203 HydrophobicContact SD-CD1 4.16Å; M78-Y203 HydrophobicContact SD-CE1 3.24Å; M78-Y203 WeakPolarHBondContact SD-CE1 3.49Å; A81-Y203 HydrophobicContact CB-CD2 3.4Å; A81-Y203 HydrophobicContact CB-CE2 3.33Å; A81-Y203 HydrophobicContact CB-CG 4.16Å; V199-Y203 HydrophobicContact CB-CE1 3.92Å; V199-Y203 HydrophobicContact CG1-CE1 3.49Å; V199-Y203 VanDerWaalsContact CG1-CE1 3.49Å; V199-Y203 HydrophobicContact CG1-CE2 4.35Å; V199-Y203 VanDerWaalsContact CG1-CZ 3.42Å; V199-Y203 WeakPolarHBondContact CG1-OH 3.23Å; V199-Y203 HydrophobicContact CG2-CE1 3.93Å; V199-Y203 PolarHBondContact O-N 2.66Å; Y203-M205 PolarHBondContact O-N 2.98Å; Y203-K206 CarbonylContact O-C 3.26Å; Y203-K206 WeakPolarHBondContact O-CA 3.18Å; Y203-K206 WeakPolarHBondContact O-CB 3.25Å; Y203-K206 PolarHBondContact O-N 2.95Å; Y203-L207 HydrophobicContact CD2-CD1 3.88Å; Y203-L207 HydrophobicContact CD2-CG 4.2Å; Y203-L207 HydrophobicContact CE2-CD1 4.26Å; Y203-L207 WeakPolarHBondContact O-CG 3.37Å; Y203-L207 PolarHBondContact O-N 3.21Å
204M90.3Very high89.1Confident12 Ų124.5 Ų4.56%0.0592%0.022CC..Iπ-helixtrans-59.7-46.1-171.7-63.4-67.9-57.200112.5S100 I101 V199 L200 K206 L207S100-M204 WeakPolarHBondContact OG-CE 3.39Å; I101-M204 VanDerWaalsContact CA-CE 3.42Å; I101-M204 HydrophobicContact CB-CE 3.8Å; I101-M204 HydrophobicContact CD1-CE 4.5Å; I101-M204 HydrophobicContact CG1-CE 3.19Å; I101-M204 HydrophobicContact CG2-CE 4.33Å; V199-M204 HydrophobicContact CG1-CG 4.28Å; V199-M204 WeakPolarHBondContact O-CG 3.46Å; V199-M204 PolarHBondContact O-N 3.48Å; L200-M204 HydrophobicContact CD1-CB 4.09Å; L200-M204 HydrophobicContact CD1-CG 4.16Å; L200-M204 VanDerWaalsContact O-CB 3.28Å; L200-M204 WeakPolarHBondContact O-CB 3.09Å; L200-M204 PolarHBondContact O-N 3.11Å; M204-K206 PolarHBondContact O-N 3.17Å; M204-L207 PolarHBondContact O-N 2.78Å; M204-L207 HydrophobicContact SD-CD1 4.31Å
205M89.1Confident88.9Confident1 Ų14.6 Ų4.61%0.0052%0.022CC..Hα-helixtrans-60.9-33.2175.2-63.3166.579.100112.1P177 L185 L200 Y203 G208 M261P177-M205 HydrophobicContact CG-CE 3.59Å; L185-M205 HydrophobicContact CD1-CE 3.33Å; L185-M205 HydrophobicContact CD1-CG 4.08Å; L185-M205 HydrophobicContact CD1-SD 3.65Å; L200-M205 PolarHBondContact O-N 3.43Å; Y203-M205 PolarHBondContact O-N 2.98Å; M205-G208 PolarHBondContact O-N 3.19Å; M205-M261 HydrophobicContact CB-CE 4.08Å; M205-M261 HydrophobicContact CB-SD 4.31Å; M205-M261 HydrophobicContact CE-CB 4.43Å; M205-M261 HydrophobicContact CE-CG 3.33Å; M205-M261 HydrophobicContact CE-SD 4.24Å
206K92.2Very high88.6Confident0 Ų04.4 Ų4.40%02%0.021CC..Hα-helixtrans-78.9-27.8-180-70103.5-169.8177.80113M54 L57 S201 G202 Y203 M204 G208 M209 V210 L283 H286M54-K206 HydrophobicContact CE-CB 3.73Å; M54-K206 HydrophobicContact SD-CB 4.17Å; L57-K206 HydrophobicContact CD1-CD 4.37Å; S201-K206 PolarHBondContact O-NZ 3.42Å; G202-K206 WeakPolarHBondContact O-CD 3.38Å; G202-K206 PolarHBondContact O-NZ 3.34Å; Y203-K206 CarbonylContact O-C 3.26Å; Y203-K206 WeakPolarHBondContact O-CA 3.18Å; Y203-K206 WeakPolarHBondContact O-CB 3.25Å; Y203-K206 PolarHBondContact O-N 2.95Å; M204-K206 PolarHBondContact O-N 3.17Å; K206-G208 PolarHBondContact O-N 3.26Å; K206-M209 WeakPolarHBondContact O-CB 3.49Å; K206-M209 PolarHBondContact O-N 3.1Å; K206-M209 VanDerWaalsContact O-N 3.11Å; K206-V210 WeakPolarHBondContact O-CG2 3.46Å; K206-V210 PolarHBondContact O-N 3.03Å; K206-L283 HydrophobicContact CG-CB 4.16Å; K206-L283 HydrophobicContact CG-CD2 3.63Å; K206-L283 HydrophobicContact CG-CG 4.43Å; K206-H286 PolarHBondContact NZ-ND1 3.25Å
207L90.4Very high88Confident1 Ų17.4 Ų7.41%0.0054%0.042CC..Hα-helixtrans-58.2-36.2170-65-178.9000110.9M54 A81 V84 Y97 S100 Y203 M204 M209 V210 G211M54-L207 HydrophobicContact CE-CD2 4.13Å; A81-L207 HydrophobicContact CB-CD1 3.99Å; A81-L207 HydrophobicContact CB-CD2 4.36Å; V84-L207 HydrophobicContact CB-CD2 4.08Å; V84-L207 HydrophobicContact CG1-CD2 3.87Å; Y97-L207 HydrophobicContact CD2-CB 4.15Å; Y97-L207 HydrophobicContact CE2-CB 3.63Å; Y97-L207 WeakPolarHBondContact CE2-O 3.14Å; S100-L207 WeakPolarHBondContact OG-CD1 3.31Å; Y203-L207 HydrophobicContact CD2-CD1 3.88Å; Y203-L207 HydrophobicContact CD2-CG 4.2Å; Y203-L207 HydrophobicContact CE2-CD1 4.26Å; Y203-L207 WeakPolarHBondContact O-CG 3.37Å; Y203-L207 PolarHBondContact O-N 3.21Å; M204-L207 PolarHBondContact O-N 2.78Å; M204-L207 HydrophobicContact SD-CD1 4.31Å; L207-M209 PolarHBondContact O-N 3.26Å; L207-V210 WeakPolarHBondContact O-CB 3.17Å; L207-V210 PolarHBondContact O-N 3.3Å; L207-G211 PolarHBondContact O-N 3.19Å
208G90.1Very high87Confident0 Ų09.7 Ų9.70%06%0.059CC..Hα-helixtrans-56.2-48.6172.800000112.7Y97 M205 K206 V210 G211 V212Y97-G208 WeakPolarHBondContact OH-CA 3.34Å; Y97-G208 PolarHBondContact OH-N 3.42Å; M205-G208 PolarHBondContact O-N 3.19Å; K206-G208 PolarHBondContact O-N 3.26Å; G208-V210 PolarHBondContact O-N 2.7Å; G208-G211 PolarHBondContact O-N 3.13Å; G208-G211 VanDerWaalsContact O-N 3.13Å; G208-V212 PolarHBondContact O-N 3.1Å; G208-V212 VanDerWaalsContact O-N 3.12Å
209M89.2Confident86.3Confident3 Ų311.2 Ų11.22%0.0156%0.064CC..Hα-helixtrans-61.7-41.7175.6-65.3-60.5-73.400112.4I176 K206 L207 G211 V212 L213 M261 S264 V265 L268 L283I176-M209 HydrophobicContact CB-SD 4.33Å; I176-M209 HydrophobicContact CD1-CG 4.23Å; I176-M209 HydrophobicContact CD1-SD 3.33Å; I176-M209 WeakPolarHBondContact CD1-SD 3.18Å; I176-M209 HydrophobicContact CG1-CG 4.05Å; I176-M209 HydrophobicContact CG1-SD 3.63Å; I176-M209 HydrophobicContact CG2-SD 3.75Å; K206-M209 WeakPolarHBondContact O-CB 3.49Å; K206-M209 PolarHBondContact O-N 3.1Å; K206-M209 VanDerWaalsContact O-N 3.11Å; L207-M209 PolarHBondContact O-N 3.26Å; M209-G211 VanDerWaalsContact C-N 3.27Å; M209-G211 PolarHBondContact O-N 3.44Å; M209-V212 PolarHBondContact O-N 3.45Å; M209-L213 PolarHBondContact O-N 3.44Å; M209-M261 HydrophobicContact CG-CE 3.83Å; M209-S264 WeakPolarHBondContact CE-OG 3.31Å; M209-V265 HydrophobicContact CE-CB 4.36Å; M209-V265 HydrophobicContact CE-CG2 3.71Å; M209-V265 HydrophobicContact SD-CG2 3.49Å; M209-V265 WeakPolarHBondContact SD-CG2 3.46Å; M209-L268 HydrophobicContact CE-CD1 3.29Å; M209-L268 HydrophobicContact CE-CG 3.95Å; M209-L283 HydrophobicContact CB-CD1 3.91Å; M209-L283 HydrophobicContact CE-CD1 4.4Å; M209-L283 HydrophobicContact CG-CD1 4.06Å; M209-L283 HydrophobicContact CG-CD2 4.04Å
210V88.6Confident85.5Confident2 Ų211.8 Ų11.81%0.0127%0.067CC..Hα-helixtrans-59.2-40.5174.1170.70000111L50 M54 F93 K206 L207 G208 L213 R214L50-V210 HydrophobicContact CD2-CB 4.44Å; L50-V210 HydrophobicContact CD2-CG1 3.8Å; L50-V210 HydrophobicContact CD2-CG2 3.94Å; L50-V210 HydrophobicContact CG-CG2 4.43Å; M54-V210 HydrophobicContact CE-CG2 4.03Å; M54-V210 HydrophobicContact CG-CG2 3.7Å; M54-V210 HydrophobicContact SD-CG2 3.9Å; F93-V210 HydrophobicContact CE2-CG1 4.34Å; K206-V210 WeakPolarHBondContact O-CG2 3.46Å; K206-V210 PolarHBondContact O-N 3.03Å; L207-V210 WeakPolarHBondContact O-CB 3.17Å; L207-V210 PolarHBondContact O-N 3.3Å; G208-V210 PolarHBondContact O-N 2.7Å; V210-L213 PolarHBondContact O-N 3.46Å; V210-R214 HydrophobicContact CG1-CG 4.01Å; V210-R214 WeakPolarHBondContact O-CB 3.28Å; V210-R214 VanDerWaalsContact O-CG 3.25Å; V210-R214 WeakPolarHBondContact O-CG 3.48Å; V210-R214 PolarHBondContact O-N 3.44Å
211G89Confident84.6Confident0 Ų017.4 Ų17.40%010%0.101CC..Hα-helixtrans-61.5-44.4176.200000113.2F93 L207 G208 M209 R214 V215F93-G211 VanDerWaalsContact CZ-CA 3.46Å; L207-G211 PolarHBondContact O-N 3.19Å; G208-G211 PolarHBondContact O-N 3.13Å; G208-G211 VanDerWaalsContact O-N 3.13Å; M209-G211 VanDerWaalsContact C-N 3.27Å; M209-G211 PolarHBondContact O-N 3.44Å; G211-R214 PolarHBondContact O-N 3.2Å; G211-V215 WeakPolarHBondContact O-CB 3.36Å; G211-V215 PolarHBondContact O-N 3.43Å
212V88.4Confident84Confident8 Ų820 Ų205%0.04812%0.116CC..Hα-helixtrans-59.1-49174.8175.20000111F172 I176 G208 M209 C216 S217 L220F172-V212 HydrophobicContact CB-CG2 3.43Å; F172-V212 VanDerWaalsContact CB-CG2 3.43Å; F172-V212 HydrophobicContact CD2-CG2 4.31Å; F172-V212 HydrophobicContact CG-CG2 4.05Å; I176-V212 HydrophobicContact CD1-CG2 3.53Å; G208-V212 PolarHBondContact O-N 3.1Å; G208-V212 VanDerWaalsContact O-N 3.12Å; M209-V212 PolarHBondContact O-N 3.45Å; V212-C216 CarbonylContact O-C 3.4Å; V212-C216 WeakPolarHBondContact O-CA 3.47Å; V212-C216 WeakPolarHBondContact O-CB 3.36Å; V212-C216 PolarHBondContact O-N 3.29Å; V212-S217 PolarHBondContact O-N 2.7Å; V212-L220 HydrophobicContact CG1-CD1 3.74Å; V212-L220 HydrophobicContact CG1-CD2 3.72Å; V212-L220 HydrophobicContact CG1-CG 4.21Å
213L85.6Confident83.5Confident18 Ų1826.1 Ų26.19%0.09415%0.148CC..Hα-helixtrans-63.7-42.3180-78.7173.1000113.5L50 M209 V210 S217 L268 L280L50-L213 HydrophobicContact CD1-CB 4Å; L50-L213 HydrophobicContact CD1-CD1 3.61Å; L50-L213 HydrophobicContact CD1-CG 4.46Å; M209-L213 PolarHBondContact O-N 3.44Å; V210-L213 PolarHBondContact O-N 3.46Å; L213-S217 WeakPolarHBondContact O-CB 3.41Å; L213-S217 PolarHBondContact O-OG 2.96Å; L213-L268 HydrophobicContact CD1-CD1 4.04Å; L213-L268 HydrophobicContact CD1-CD2 4.06Å; L213-L268 HydrophobicContact CD2-CD1 3.8Å; L213-L268 HydrophobicContact CD2-CD2 3.49Å; L213-L268 VanDerWaalsContact CD2-CD2 3.49Å; L213-L268 HydrophobicContact CD2-CG 4.28Å; L213-L268 HydrophobicContact CG-CD1 3.69Å; L213-L268 HydrophobicContact CG-CD2 4.08Å; L213-L280 HydrophobicContact CD1-CD2 3.8Å; L213-L280 HydrophobicContact CD1-CG 4.33Å
214R83.3Confident83Confident33 Ų3334.8 Ų34.813%0.12518%0.182CC..Hα-helixtrans-77.8-39.1-175.4-68.9-56.1-159.7167.51.3113.1M46 D48 S85 M151 V210 G211M46-R214 HydrophobicContact CE-CG 4.35Å; M46-R214 VanDerWaalsContact CE-NH1 3.28Å; M46-R214 PolarHBondContact SD-NH1 3Å; D48-R214 IonicContact OD2-CZ 3.12Å; D48-R214 IonicContact OD2-NH1 2.64Å; D48-R214 PolarHBondContact OD2-NH1 3.35Å; D48-R214 IonicContact OD2-NH2 2.74Å; D48-R214 PolarHBondContact OD2-NH2 3.31Å; S85-R214 PolarHBondContact O-NH2 2.8Å; M151-R214 HydrophobicContact SD-CB 4.19Å; V210-R214 HydrophobicContact CG1-CG 4.01Å; V210-R214 WeakPolarHBondContact O-CB 3.28Å; V210-R214 VanDerWaalsContact O-CG 3.25Å; V210-R214 WeakPolarHBondContact O-CG 3.48Å; V210-R214 PolarHBondContact O-N 3.44Å; G211-R214 PolarHBondContact O-N 3.2Å
215V84.1Confident82.7Confident6 Ų634.8 Ų34.84%0.03618%0.183CC..Hα-helixtrans-99.3-31.6-170-177.90000112.2F93 M151 W154 M168 F172 G211F93-V215 HydrophobicContact CD1-CG2 4.48Å; F93-V215 HydrophobicContact CE1-CG2 4.35Å; M151-V215 HydrophobicContact SD-CG2 3.66Å; W154-V215 HydrophobicContact CE3-CG1 4.11Å; W154-V215 HydrophobicContact CZ3-CG1 3.79Å; M168-V215 HydrophobicContact CE-CB 4.44Å; M168-V215 HydrophobicContact CE-CG1 3.44Å; M168-V215 VanDerWaalsContact CE-CG1 3.44Å; F172-V215 HydrophobicContact CE2-CB 3.96Å; F172-V215 HydrophobicContact CE2-CG1 4.34Å; F172-V215 HydrophobicContact CE2-CG2 4.18Å; F172-V215 HydrophobicContact CZ-CB 4.37Å; F172-V215 HydrophobicContact CZ-CG2 4.08Å; G211-V215 WeakPolarHBondContact O-CB 3.36Å; G211-V215 PolarHBondContact O-N 3.43Å
216C82Confident82.4Confident0 Ų036 Ų360%019%0.192CC..Hα-helixtrans-121.18.2-168.1-53.60000114.1V169 V212 S218 W219 L220V169-C216 HydrophobicContact CG2-CB 3.51Å; V212-C216 CarbonylContact O-C 3.4Å; V212-C216 WeakPolarHBondContact O-CA 3.47Å; V212-C216 WeakPolarHBondContact O-CB 3.36Å; V212-C216 PolarHBondContact O-N 3.29Å; C216-S218 VanDerWaalsContact C-N 3.27Å; C216-S218 PolarHBondContact O-N 3.26Å; C216-W219 PolarHBondContact O-N 3.16Å; C216-L220 PolarHBondContact O-N 3.43Å
217S78.1Confident82.1Confident66 Ų6639.1 Ų39.146%0.46221%0.213SC..THydrogen-bonded Turntrans-55.6-37.7-17346.40000114.3V212 L213 W219 L220V212-S217 PolarHBondContact O-N 2.7Å; L213-S217 WeakPolarHBondContact O-CB 3.41Å; L213-S217 PolarHBondContact O-OG 2.96Å; S217-W219 VanDerWaalsContact C-N 3.27Å; S217-W219 PolarHBondContact O-N 3.06Å; S217-L220 PolarHBondContact O-N 3.44Å
218S69.4Low82Confident49 Ų4942.9 Ų42.934%0.34324%0.236SC..THydrogen-bonded Turntrans-63-32.5177.453.10000113C216C216-S218 VanDerWaalsContact C-N 3.27Å; C216-S218 PolarHBondContact O-N 3.26Å
219W76.5Confident81.9Confident31 Ų3143.4 Ų43.412%0.11724%0.239CC..THydrogen-bonded Turntrans-89.6-15.9-174.7-164.878.4000113.6S162 Y165 F166 V169 C216 S217 V221 N222 V225S162-W219 PolarHBondContact O-NE1 3.43Å; Y165-W219 HydrophobicContact CG-CB 4.16Å; Y165-W219 HydrophobicContact CG-CG 4.33Å; F166-W219 HydrophobicContact CB-CH2 3.5Å; F166-W219 HydrophobicContact CB-CZ2 3.62Å; F166-W219 HydrophobicContact CB-CZ3 3.99Å; F166-W219 AromaticContact CD2-CH2 3.18Å; F166-W219 HydrophobicContact CD2-CH2 3.18Å; F166-W219 HydrophobicContact CD2-CZ2 4.09Å; F166-W219 AromaticContact CD2-CZ3 3.62Å; F166-W219 HydrophobicContact CD2-CZ3 3.62Å; F166-W219 HydrophobicContact CE2-CH2 4.15Å; F166-W219 AromaticContact CG-CH2 3.71Å; F166-W219 HydrophobicContact CG-CH2 3.71Å; F166-W219 HydrophobicContact CG-CZ2 4.2Å; F166-W219 HydrophobicContact CG-CZ3 4.29Å; V169-W219 HydrophobicContact CB-CE3 4.48Å; V169-W219 HydrophobicContact CB-CZ3 4.35Å; V169-W219 HydrophobicContact CG2-CE3 3.82Å; V169-W219 HydrophobicContact CG2-CZ3 4.17Å; C216-W219 PolarHBondContact O-N 3.16Å; S217-W219 VanDerWaalsContact C-N 3.27Å; S217-W219 PolarHBondContact O-N 3.06Å; W219-V221 PolarHBondContact O-N 3.19Å; W219-N222 WeakPolarHBondContact O-CB 3.39Å; W219-N222 PolarHBondContact O-N 3.45Å; W219-V225 HydrophobicContact CE3-CG2 3.89Å; W219-V225 HydrophobicContact CH2-CG2 3.35Å; W219-V225 HydrophobicContact CZ2-CG2 4.29Å; W219-V225 HydrophobicContact CZ3-CG2 3.15Å
220L74.1Confident81.9Confident13 Ų1343.6 Ų43.67%0.06824%0.241CC..THydrogen-bonded Turntrans-62.9-22.1179.8-70172.1000113.7V169 V212 C216 S217 N222 I269V169-L220 HydrophobicContact CG2-CD2 4.46Å; V212-L220 HydrophobicContact CG1-CD1 3.74Å; V212-L220 HydrophobicContact CG1-CD2 3.72Å; V212-L220 HydrophobicContact CG1-CG 4.21Å; C216-L220 PolarHBondContact O-N 3.43Å; S217-L220 PolarHBondContact O-N 3.44Å; L220-N222 PolarHBondContact O-N 2.99Å; L220-I269 HydrophobicContact CD2-CG1 4.31Å
221V70.1Confident82Confident122 Ų12247.7 Ų47.774%0.73927%0.266SS*.THydrogen-bonded Turntrans-73.9-2.5-178.8-1690000112.2W219 N223W219-V221 PolarHBondContact O-N 3.19Å; V221-N223 PolarHBondContact O-N 2.91Å
222N75.9Confident82.2Confident56 Ų5649.3 Ų49.330%0.29927%0.274SS..  trans-73.2127.4-178.9-167.9-5.9000112.1W219 L220 Y224 V225W219-N222 WeakPolarHBondContact O-CB 3.39Å; W219-N222 PolarHBondContact O-N 3.45Å; L220-N222 PolarHBondContact O-N 2.99Å; N222-Y224 PolarHBondContact O-N 3.31Å; N222-Y224 WeakPolarHBondContact OD1-CD2 3.42Å; N222-V225 HydrophobicContact CB-CG2 4.19Å; N222-V225 WeakPolarHBondContact O-CB 3.44Å; N222-V225 PolarHBondContact O-N 3.28Å
223N76.7Confident82.4Confident128 Ų12849 Ų4968%0.68427%0.272SS*.Hα-helixtrans-55.3-27.2-179.2-66.5-13.2000114.3V221 V225 S226 S227V221-N223 PolarHBondContact O-N 2.91Å; N223-V225 VanDerWaalsContact C-N 3.28Å; N223-V225 PolarHBondContact O-N 3.33Å; N223-S226 PolarHBondContact O-OG 3.24Å; N223-S227 PolarHBondContact O-N 3.1Å; N223-S227 PolarHBondContact O-OG 2.81Å
224Y80.1Confident82.7Confident182 Ų18250.7 Ų50.771%0.71428%0.28SS*.Hα-helixtrans-66.5-32175-67.2-72.3000112.3N222 S227 V228N222-Y224 PolarHBondContact O-N 3.31Å; N222-Y224 WeakPolarHBondContact OD1-CD2 3.42Å; Y224-S227 PolarHBondContact O-OG 3.22Å; Y224-S227 VanDerWaalsContact O-OG 3.07Å; Y224-V228 VanDerWaalsContact O-CG2 3.27Å; Y224-V228 WeakPolarHBondContact O-CG2 3.41Å; Y224-V228 PolarHBondContact O-N 3.1Å
225V83.1Confident83.1Confident12 Ų1252.3 Ų52.37%0.07329%0.294CS..Hα-helixtrans-73.9-42.4-179.3-177.60000110.6W219 N222 N223 V228 V229 I269W219-V225 HydrophobicContact CE3-CG2 3.89Å; W219-V225 HydrophobicContact CH2-CG2 3.35Å; W219-V225 HydrophobicContact CZ2-CG2 4.29Å; W219-V225 HydrophobicContact CZ3-CG2 3.15Å; N222-V225 HydrophobicContact CB-CG2 4.19Å; N222-V225 WeakPolarHBondContact O-CB 3.44Å; N222-V225 PolarHBondContact O-N 3.28Å; N223-V225 VanDerWaalsContact C-N 3.28Å; N223-V225 PolarHBondContact O-N 3.33Å; V225-V228 PolarHBondContact O-N 2.94Å; V225-V229 HydrophobicContact CG1-CG2 4.39Å; V225-V229 WeakPolarHBondContact O-CB 3.25Å; V225-V229 WeakPolarHBondContact O-CG2 3.23Å; V225-V229 PolarHBondContact O-N 3.33Å; V225-I269 HydrophobicContact CG1-CD1 3.9Å; V225-I269 HydrophobicContact CG1-CG1 4.36Å
226S84.1Confident83.5Confident27 Ų2752 Ų5219%0.18929%0.292CS..Hα-helixtrans-61.3-46.8-18059.50000112.3N223 V228 V229 A230 F270N223-S226 PolarHBondContact O-OG 3.24Å; S226-V228 PolarHBondContact O-N 3.46Å; S226-V229 PolarHBondContact O-N 2.66Å; S226-A230 PolarHBondContact O-N 3.14Å; S226-F270 WeakPolarHBondContact O-CZ 3.25Å
227S85.2Confident83.9Confident64 Ų6453.1 Ų53.145%0.44830%0.298SS..Hα-helixtrans-61.9-44177.956.90000112.9N223 Y224 V229 A230 V231N223-S227 PolarHBondContact O-N 3.1Å; N223-S227 PolarHBondContact O-OG 2.81Å; Y224-S227 PolarHBondContact O-OG 3.22Å; Y224-S227 VanDerWaalsContact O-OG 3.07Å; S227-V229 PolarHBondContact O-N 3.35Å; S227-A230 PolarHBondContact O-N 3.37Å; S227-V231 WeakPolarHBondContact O-CG2 3.45Å; S227-V231 PolarHBondContact O-N 2.87Å
228V88.3Confident84.5Confident81 Ų8154.4 Ų54.449%0.49130%0.302SS..Hα-helixtrans-63.4-42.6176.8171.80000110.9Y224 V225 S226 V231 I232Y224-V228 VanDerWaalsContact O-CG2 3.27Å; Y224-V228 WeakPolarHBondContact O-CG2 3.41Å; Y224-V228 PolarHBondContact O-N 3.1Å; V225-V228 PolarHBondContact O-N 2.94Å; S226-V228 PolarHBondContact O-N 3.46Å; V228-V231 PolarHBondContact O-N 3.16Å; V228-I232 HydrophobicContact CG1-CD1 3.8Å; V228-I232 HydrophobicContact CG1-CG1 4.43Å; V228-I232 WeakPolarHBondContact O-CG1 3.3Å; V228-I232 PolarHBondContact O-N 3.39Å
229V88.9Confident85.6Confident10 Ų1052.3 Ų52.36%0.06129%0.287CS..Hα-helixtrans-69.3-35.8179.7169.50000112.7V225 S226 S227 V231 I232 F233 V265 V266 I269V225-V229 HydrophobicContact CG1-CG2 4.39Å; V225-V229 WeakPolarHBondContact O-CB 3.25Å; V225-V229 WeakPolarHBondContact O-CG2 3.23Å; V225-V229 PolarHBondContact O-N 3.33Å; S226-V229 PolarHBondContact O-N 2.66Å; S227-V229 PolarHBondContact O-N 3.35Å; V229-V231 VanDerWaalsContact C-N 3.3Å; V229-V231 PolarHBondContact O-N 3.23Å; V229-I232 PolarHBondContact O-N 3.24Å; V229-F233 WeakPolarHBondContact O-CB 3.24Å; V229-F233 PolarHBondContact O-N 2.93Å; V229-V265 HydrophobicContact CG1-CG1 4Å; V229-V265 HydrophobicContact CG2-CG1 4.36Å; V229-V266 HydrophobicContact CG1-CG2 3.99Å; V229-I269 HydrophobicContact CB-CD1 3.82Å; V229-I269 HydrophobicContact CG1-CD1 3.84Å; V229-I269 HydrophobicContact CG2-CD1 3.33Å
230A89.1Confident86.1Confident7 Ų751.9 Ų51.96%0.05829%0.287CS..Hα-helixtrans-59.3-41.3172.300000111.9S226 S227 F233 M234 F270S226-A230 PolarHBondContact O-N 3.14Å; S227-A230 PolarHBondContact O-N 3.37Å; A230-F233 PolarHBondContact O-N 2.97Å; A230-M234 PolarHBondContact O-N 3.36Å; A230-M234 VanDerWaalsContact O-N 3.09Å; A230-F270 HydrophobicContact CB-CE2 4.48Å; A230-F270 HydrophobicContact CB-CZ 4.08Å
231V90.8Very high86.8Confident88 Ų8855.7 Ų55.753%0.53331%0.314SS..Hα-helixtrans-66.3-45.2175.2176.80000111.1S227 V228 V229 F233 M234 V235S227-V231 WeakPolarHBondContact O-CG2 3.45Å; S227-V231 PolarHBondContact O-N 2.87Å; V228-V231 PolarHBondContact O-N 3.16Å; V229-V231 VanDerWaalsContact C-N 3.3Å; V229-V231 PolarHBondContact O-N 3.23Å; V231-F233 VanDerWaalsContact C-N 3.25Å; V231-F233 PolarHBondContact O-N 2.74Å; V231-M234 PolarHBondContact O-N 3.4Å; V231-V235 HydrophobicContact CG1-CG2 4.45Å; V231-V235 WeakPolarHBondContact O-CG2 3.49Å; V231-V235 PolarHBondContact O-N 3.22Å
232I91.9Very high87.9Confident34 Ų3454.2 Ų54.217%0.17430%0.295CS..Hα-helixtrans-58.9-40.1176.1-68.5167.6000110.8L178 V228 V229 V235 S236L178-I232 HydrophobicContact CB-CG2 4.16Å; L178-I232 HydrophobicContact CD2-CG2 4.19Å; V228-I232 HydrophobicContact CG1-CD1 3.8Å; V228-I232 HydrophobicContact CG1-CG1 4.43Å; V228-I232 WeakPolarHBondContact O-CG1 3.3Å; V228-I232 PolarHBondContact O-N 3.39Å; V229-I232 PolarHBondContact O-N 3.24Å; I232-V235 PolarHBondContact O-N 3.35Å; I232-S236 WeakPolarHBondContact O-CB 3.46Å; I232-S236 PolarHBondContact O-N 3.46Å
233F92.1Very high88.6Confident1 Ų151.6 Ų51.60%0.00428%0.281CS..Hα-helixtrans-63-45.1178.6-171.1-138.1000112V229 A230 V231 V235 S236 V262 V263 V266 V348 L360 S363 A364 I367V229-F233 WeakPolarHBondContact O-CB 3.24Å; V229-F233 PolarHBondContact O-N 2.93Å; A230-F233 PolarHBondContact O-N 2.97Å; V231-F233 VanDerWaalsContact C-N 3.25Å; V231-F233 PolarHBondContact O-N 2.74Å; F233-V235 PolarHBondContact O-N 2.93Å; F233-S236 WeakPolarHBondContact O-CB 3.45Å; F233-S236 PolarHBondContact O-N 3.32Å; F233-S236 PolarHBondContact O-OG 2.8Å; F233-V262 HydrophobicContact CB-CG1 4.2Å; F233-V262 HydrophobicContact CD2-CB 4.09Å; F233-V262 HydrophobicContact CD2-CG1 3.58Å; F233-V262 HydrophobicContact CE2-CG1 4.43Å; F233-V262 HydrophobicContact CG-CG1 4.35Å; F233-V263 HydrophobicContact CE2-CG2 4.25Å; F233-V266 HydrophobicContact CB-CG2 3.83Å; F233-V266 HydrophobicContact CD1-CG2 3.82Å; F233-V266 HydrophobicContact CD2-CG2 3.63Å; F233-V266 HydrophobicContact CE1-CG1 4.45Å; F233-V266 HydrophobicContact CE1-CG2 4.22Å; F233-V266 HydrophobicContact CE2-CG2 3.96Å; F233-V266 HydrophobicContact CG-CG2 3.53Å; F233-V266 HydrophobicContact CZ-CG2 4.27Å; F233-V348 HydrophobicContact CE1-CG1 4.33Å; F233-V348 HydrophobicContact CZ-CG1 4.18Å; F233-L360 HydrophobicContact CD1-CD1 3.94Å; F233-L360 HydrophobicContact CE1-CD1 4.31Å; F233-S363 WeakPolarHBondContact CD1-OG 3.06Å; F233-S363 VanDerWaalsContact CE1-CB 3.42Å; F233-S363 WeakPolarHBondContact CE1-OG 3.45Å; F233-A364 HydrophobicContact CE1-CB 4.37Å; F233-I367 HydrophobicContact CD2-CD1 3.75Å; F233-I367 HydrophobicContact CE1-CD1 4.21Å; F233-I367 HydrophobicContact CE2-CD1 3.03Å; F233-I367 HydrophobicContact CE2-CG1 4.48Å; F233-I367 HydrophobicContact CZ-CD1 3.29Å
234M91.7Very high89.1Confident54 Ų5452.2 Ų52.227%0.26628%0.275SS..Hα-helixtrans-60-45.8172.2-76.7-61.6-6400113.2A230 V231 S236 L237 V359 L362 S363A230-M234 PolarHBondContact O-N 3.36Å; A230-M234 VanDerWaalsContact O-N 3.09Å; V231-M234 PolarHBondContact O-N 3.4Å; M234-S236 PolarHBondContact O-N 2.91Å; M234-L237 HydrophobicContact CE-CD1 4.13Å; M234-L237 VanDerWaalsContact O-CB 3.28Å; M234-L237 WeakPolarHBondContact O-CB 3.4Å; M234-L237 VanDerWaalsContact O-CG 3.25Å; M234-L237 WeakPolarHBondContact O-CG 3.29Å; M234-L237 PolarHBondContact O-N 3.11Å; M234-L237 HydrophobicContact SD-CD1 4.05Å; M234-V359 HydrophobicContact CB-CG1 4.43Å; M234-V359 HydrophobicContact CG-CG1 3.18Å; M234-V359 HydrophobicContact SD-CG1 3.98Å; M234-V359 VanDerWaalsContact SD-O 3.33Å; M234-L362 HydrophobicContact CE-CD2 3.55Å; M234-L362 HydrophobicContact SD-CD2 4.13Å; M234-S363 WeakPolarHBondContact SD-CB 3.02Å
235V92.9Very high89.5Confident68 Ų6846.9 Ų46.941%0.41227%0.268SS..Hα-helixtrans-66.7-31.3-179.9-179.70000110.9V179 V231 I232 F233 L237 V238V179-V235 HydrophobicContact CB-CG1 4.39Å; V179-V235 HydrophobicContact CG1-CG1 3.87Å; V179-V235 HydrophobicContact CG2-CG1 4.18Å; V231-V235 HydrophobicContact CG1-CG2 4.45Å; V231-V235 WeakPolarHBondContact O-CG2 3.49Å; V231-V235 PolarHBondContact O-N 3.22Å; I232-V235 PolarHBondContact O-N 3.35Å; F233-V235 PolarHBondContact O-N 2.93Å; V235-L237 PolarHBondContact O-N 3.28Å; V235-L237 VanDerWaalsContact O-N 3.16Å; V235-V238 WeakPolarHBondContact O-CB 3.45Å; V235-V238 WeakPolarHBondContact O-CG2 3.44Å; V235-V238 PolarHBondContact O-N 3.17Å; V235-V238 VanDerWaalsContact O-N 3.13Å
236S92.1Very high90Very high0 Ų048.1 Ų48.10%027%0.273CS..Hα-helixtrans-63.7-17.8177.380.10000113.9I232 F233 M234 V238 F239I232-S236 WeakPolarHBondContact O-CB 3.46Å; I232-S236 PolarHBondContact O-N 3.46Å; F233-S236 WeakPolarHBondContact O-CB 3.45Å; F233-S236 PolarHBondContact O-N 3.32Å; F233-S236 PolarHBondContact O-OG 2.8Å; M234-S236 PolarHBondContact O-N 2.91Å; S236-V238 PolarHBondContact O-N 3.28Å; S236-F239 VanDerWaalsContact O-CB 3.27Å; S236-F239 WeakPolarHBondContact O-CB 3.5Å; S236-F239 WeakPolarHBondContact O-CD2 3.31Å; S236-F239 WeakPolarHBondContact O-CG 3.33Å; S236-F239 PolarHBondContact O-N 2.81Å
237L89.9Confident90.2Very high23 Ų2351.2 Ų51.212%0.1229%0.291CS..THydrogen-bonded Turntrans-59.7-25.5173.2-60.2176.6000112.6M234 V235 F239 M240 M366 I367M234-L237 HydrophobicContact CE-CD1 4.13Å; M234-L237 VanDerWaalsContact O-CB 3.28Å; M234-L237 WeakPolarHBondContact O-CB 3.4Å; M234-L237 VanDerWaalsContact O-CG 3.25Å; M234-L237 WeakPolarHBondContact O-CG 3.29Å; M234-L237 PolarHBondContact O-N 3.11Å; M234-L237 HydrophobicContact SD-CD1 4.05Å; V235-L237 PolarHBondContact O-N 3.28Å; V235-L237 VanDerWaalsContact O-N 3.16Å; L237-F239 PolarHBondContact O-N 2.9Å; L237-M240 HydrophobicContact CB-CE 3.67Å; L237-M240 HydrophobicContact CD2-CE 3.53Å; L237-M240 HydrophobicContact CG-CE 4.14Å; L237-M240 VanDerWaalsContact O-CB 3.28Å; L237-M240 WeakPolarHBondContact O-CB 3.09Å; L237-M240 WeakPolarHBondContact O-CE 3.36Å; L237-M240 PolarHBondContact O-N 3.3Å; L237-M366 HydrophobicContact CD1-CB 4.26Å; L237-M366 HydrophobicContact CD2-CB 4.09Å; L237-I367 HydrophobicContact CD2-CD1 3.63Å; L237-I367 HydrophobicContact CD2-CG1 3.44Å; L237-I367 VanDerWaalsContact CD2-CG1 3.44Å
238V91.8Very high90.6Very high92 Ų9250.5 Ų50.556%0.55828%0.282SS*.Hα-helixtrans-60-27.4174.9177.70000111.6V235 S236 M240 C241 W242V235-V238 WeakPolarHBondContact O-CB 3.45Å; V235-V238 WeakPolarHBondContact O-CG2 3.44Å; V235-V238 PolarHBondContact O-N 3.17Å; V235-V238 VanDerWaalsContact O-N 3.13Å; S236-V238 PolarHBondContact O-N 3.28Å; V238-M240 PolarHBondContact O-N 3.27Å; V238-C241 PolarHBondContact O-N 3.38Å; V238-C241 VanDerWaalsContact O-N 3.14Å; V238-W242 PolarHBondContact O-N 3.22Å
239F92.5Very high90.7Very high6 Ų646.9 Ų46.93%0.02626%0.26CS..Hα-helixtrans-62.2-24.1174.9-60.4-42.6000112.8V179 H182 S236 L237 W242 A243 V255 L258 L259V179-F239 HydrophobicContact CG2-CE1 4.39Å; V179-F239 HydrophobicContact CG2-CE2 3.74Å; V179-F239 HydrophobicContact CG2-CZ 3.44Å; V179-F239 VanDerWaalsContact CG2-CZ 3.44Å; H182-F239 HydrophobicContact CB-CZ 4.02Å; H182-F239 AromaticContact CD2-CE1 3.42Å; H182-F239 VanDerWaalsContact CD2-CE1 3.42Å; H182-F239 WeakPolarHBondContact CD2-CE1 3.16Å; H182-F239 AromaticContact CD2-CZ 3.65Å; H182-F239 AromaticContact CG-CE1 3.85Å; H182-F239 AromaticContact CG-CZ 3.56Å; H182-F239 AromaticContact ND1-CZ 3.87Å; H182-F239 AromaticContact NE2-CE1 3.62Å; S236-F239 VanDerWaalsContact O-CB 3.27Å; S236-F239 WeakPolarHBondContact O-CB 3.5Å; S236-F239 WeakPolarHBondContact O-CD2 3.31Å; S236-F239 WeakPolarHBondContact O-CG 3.33Å; S236-F239 PolarHBondContact O-N 2.81Å; L237-F239 PolarHBondContact O-N 2.9Å; F239-W242 AromaticContact CD1-CE3 3.94Å; F239-W242 HydrophobicContact CD1-CE3 3.94Å; F239-W242 HydrophobicContact CD1-CZ3 4.42Å; F239-W242 HydrophobicContact CE1-CE3 4.2Å; F239-W242 HydrophobicContact CE1-CZ3 4.24Å; F239-W242 PolarHBondContact O-N 2.93Å; F239-A243 VanDerWaalsContact O-CB 3.28Å; F239-A243 WeakPolarHBondContact O-CB 2.99Å; F239-A243 PolarHBondContact O-N 3.49Å; F239-V255 HydrophobicContact CB-CG1 4.03Å; F239-V255 HydrophobicContact CD1-CG1 4.49Å; F239-V255 WeakPolarHBondContact O-CG1 3.41Å; F239-L258 HydrophobicContact CD1-CD1 4.08Å; F239-L258 HydrophobicContact CD2-CB 3.73Å; F239-L258 HydrophobicContact CE1-CD1 3.9Å; F239-L258 HydrophobicContact CE2-CB 3.87Å; F239-L258 HydrophobicContact CE2-CD1 4.33Å; F239-L258 HydrophobicContact CG-CB 4.15Å; F239-L258 HydrophobicContact CG-CD1 4.41Å; F239-L258 HydrophobicContact CZ-CB 4.4Å; F239-L258 HydrophobicContact CZ-CD1 4.01Å; F239-L259 HydrophobicContact CB-CB 4.5Å
240M86.8Confident91Very high22 Ų2247 Ų4711%0.10826%0.26CS..Hα-helixtrans-63-49.2172.4-68.4-171.6-74.400111.7L237 V238 W242 A243 Y244 L259 L374L237-M240 HydrophobicContact CB-CE 3.67Å; L237-M240 HydrophobicContact CD2-CE 3.53Å; L237-M240 HydrophobicContact CG-CE 4.14Å; L237-M240 VanDerWaalsContact O-CB 3.28Å; L237-M240 WeakPolarHBondContact O-CB 3.09Å; L237-M240 WeakPolarHBondContact O-CE 3.36Å; L237-M240 PolarHBondContact O-N 3.3Å; V238-M240 PolarHBondContact O-N 3.27Å; M240-W242 VanDerWaalsContact C-N 3.3Å; M240-W242 PolarHBondContact O-N 3.42Å; M240-A243 PolarHBondContact O-N 3.41Å; M240-Y244 PolarHBondContact O-N 2.86Å; M240-L259 HydrophobicContact CB-CD1 4.38Å; M240-L259 HydrophobicContact CG-CD1 3.1Å; M240-L259 HydrophobicContact SD-CD1 3.94Å; M240-L374 HydrophobicContact CB-CD1 3.74Å; M240-L374 HydrophobicContact CG-CD1 3.81Å
241C89Confident91.2Very high93 Ų9350.2 Ų50.263%0.62827%0.271SS*.Hα-helixtrans-65.4-38.1179-60.80000111.2V238 A245V238-C241 PolarHBondContact O-N 3.38Å; V238-C241 VanDerWaalsContact O-N 3.14Å; C241-A245 PolarHBondContact O-N 3.23Å
242W92.2Very high91.3Very high91 Ų9146.1 Ų46.135%0.34525%0.246SC..Hα-helixtrans-65.8-48.6175.6-172.1-0.3000111.1H182 P186 V238 F239 M240 Y244 A245 E246 V255H182-W242 AromaticContact CD2-CZ3 3.87Å; H182-W242 AromaticContact NE2-CZ3 3.72Å; P186-W242 HydrophobicContact CG-CH2 4.4Å; V238-W242 PolarHBondContact O-N 3.22Å; F239-W242 AromaticContact CD1-CE3 3.94Å; F239-W242 HydrophobicContact CD1-CE3 3.94Å; F239-W242 HydrophobicContact CD1-CZ3 4.42Å; F239-W242 HydrophobicContact CE1-CE3 4.2Å; F239-W242 HydrophobicContact CE1-CZ3 4.24Å; F239-W242 PolarHBondContact O-N 2.93Å; M240-W242 VanDerWaalsContact C-N 3.3Å; M240-W242 PolarHBondContact O-N 3.42Å; W242-Y244 VanDerWaalsContact C-N 3.25Å; W242-Y244 PolarHBondContact O-N 3.25Å; W242-A245 PolarHBondContact O-N 3.47Å; W242-E246 PolarHBondContact NE1-OE1 3.41Å; W242-E246 PolarHBondContact O-N 3.34Å; W242-V255 HydrophobicContact CB-CG1 3.99Å; W242-V255 HydrophobicContact CD2-CG1 4.21Å; W242-V255 HydrophobicContact CD2-CG2 4.15Å; W242-V255 HydrophobicContact CE3-CG1 4.48Å; W242-V255 HydrophobicContact CG-CG1 4.02Å; W242-V255 HydrophobicContact CG-CG2 4.38Å; W242-V255 HydrophobicContact CZ2-CG2 4.49Å
243A91.1Very high91.4Very high1 Ų144.6 Ų44.61%0.00824%0.238CC..Hα-helixtrans-57-39.6178.100000111.9F239 M240 A245 E246 W252 V255 L374F239-A243 VanDerWaalsContact O-CB 3.28Å; F239-A243 WeakPolarHBondContact O-CB 2.99Å; F239-A243 PolarHBondContact O-N 3.49Å; M240-A243 PolarHBondContact O-N 3.41Å; A243-A245 VanDerWaalsContact C-N 3.27Å; A243-A245 PolarHBondContact O-N 2.79Å; A243-E246 PolarHBondContact O-N 3.2Å; A243-W252 VanDerWaalsContact O-CD1 3.22Å; A243-V255 HydrophobicContact CB-CB 4.28Å; A243-V255 HydrophobicContact CB-CG1 3.9Å; A243-L374 HydrophobicContact CB-CD1 4.43Å
244Y87.5Confident91.5Very high140 Ų14044.5 Ų44.555%0.54924%0.237SC..Hα-helixtrans-57.7-37.8175.5177.1-84.9000113.3M240 W242 E246 M377M240-Y244 PolarHBondContact O-N 2.86Å; W242-Y244 VanDerWaalsContact C-N 3.25Å; W242-Y244 PolarHBondContact O-N 3.25Å; Y244-E246 VanDerWaalsContact C-N 3.34Å; Y244-M377 HydrophobicContact CD2-CE 3.26Å; Y244-M377 HydrophobicContact CD2-SD 3.68Å; Y244-M377 HydrophobicContact CE2-CE 3.39Å; Y244-M377 HydrophobicContact CE2-SD 3.29Å; Y244-M377 WeakPolarHBondContact CE2-SD 3.1Å; Y244-M377 HydrophobicContact CG-CE 4.33Å
245A89.5Confident91.6Very high71 Ų7142 Ų4259%0.58723%0.225SC*.Hα-helixtrans-80.9-12.4-176.800000113.8C241 W242 A243 V247C241-A245 PolarHBondContact O-N 3.23Å; W242-A245 PolarHBondContact O-N 3.47Å; A243-A245 VanDerWaalsContact C-N 3.27Å; A243-A245 PolarHBondContact O-N 2.79Å; A245-V247 PolarHBondContact O-N 3.43Å
246E91.9Very high91.6Very high37 Ų3739 Ų3917%0.17321%0.206CC..  trans-79116.5-175.1-75.1-65.9164.700112.6W242 A243 Y244 R251 W252 V255W242-E246 PolarHBondContact NE1-OE1 3.41Å; W242-E246 PolarHBondContact O-N 3.34Å; A243-E246 PolarHBondContact O-N 3.2Å; Y244-E246 VanDerWaalsContact C-N 3.34Å; E246-R251 HydrophobicContact CG-CB 4.43Å; E246-R251 WeakPolarHBondContact OE2-CB 3.42Å; E246-W252 HydrophobicContact CB-CB 4.13Å; E246-V255 HydrophobicContact CG-CG2 4.44Å
247V89.6Confident91.6Very high93 Ų9339 Ų3956%0.56421%0.207SC*.  trans-81.5-30.8175.9-179.70000111.7A245 S249A245-V247 PolarHBondContact O-N 3.43Å; V247-S249 PolarHBondContact O-N 3.07Å
248D92.1Very high91.8Very high49 Ų4937.9 Ų37.926%0.26220%0.201SC..BIsolated β-bridgetrans-76.5116.6180-87.4-28.2000110.5K250 R251 W252D248-K250 VanDerWaalsContact C-N 3.28Å; D248-K250 PolarHBondContact O-N 2.89Å; D248-R251 HydrophobicContact CB-CB 3.91Å; D248-R251 HydrophobicContact CB-CG 3.93Å; D248-R251 PolarHBondContact O-N 2.93Å; D248-R251 IonicContact OD2-CZ 3.74Å; D248-R251 IonicContact OD2-NE 3.67Å; D248-R251 IonicContact OD2-NH1 3.8Å; D248-W252 WeakPolarHBondContact O-CB 3.44Å; D248-W252 PolarHBondContact O-N 2.89Å
249S92.2Very high91.8Very high4 Ų433.6 Ų33.63%0.02818%0.175CC..Hα-helixtrans-60-35.4-173.469.10000113.3V247 L253 M297 R307 L312V247-S249 PolarHBondContact O-N 3.07Å; S249-L253 PolarHBondContact O-N 2.87Å; S249-M297 WeakPolarHBondContact O-CE 3.43Å; S249-M297 VanDerWaalsContact OG-CE 3.3Å; S249-M297 WeakPolarHBondContact OG-CE 3.46Å; S249-R307 WeakPolarHBondContact CB-O 3.39Å; S249-R307 PolarHBondContact N-O 3.17Å; S249-R307 PolarHBondContact OG-O 3.36Å; S249-L312 WeakPolarHBondContact OG-CD1 3.5Å
250K93.8Very high91.7Very high12 Ų1233.3 Ų33.35%0.05217%0.174CC..Hα-helixtrans-69.8-39.3173.3-71.4-170.7177.9179.70113.5H189 A192 D248 A254 F294H189-K250 WeakPolarHBondContact O-CD 3.14Å; A192-K250 PolarHBondContact O-NZ 3.06Å; D248-K250 VanDerWaalsContact C-N 3.28Å; D248-K250 PolarHBondContact O-N 2.89Å; K250-A254 WeakPolarHBondContact O-CB 3.28Å; K250-A254 PolarHBondContact O-N 3.46Å; K250-A254 VanDerWaalsContact O-N 3.1Å; K250-F294 HydrophobicContact CG-CE1 4.48Å
251R93.1Very high91.9Very high76 Ų7632.3 Ų32.329%0.28717%0.169SC..Hα-helixtrans-69.8-41.6178.4-70.1-176.9-179.3173.83110.4A190 E246 D248 L253 A254 V255A190-R251 HydrophobicContact CB-CG 3.81Å; E246-R251 HydrophobicContact CG-CB 4.43Å; E246-R251 WeakPolarHBondContact OE2-CB 3.42Å; D248-R251 HydrophobicContact CB-CB 3.91Å; D248-R251 HydrophobicContact CB-CG 3.93Å; D248-R251 PolarHBondContact O-N 2.93Å; D248-R251 IonicContact OD2-CZ 3.74Å; D248-R251 IonicContact OD2-NE 3.67Å; D248-R251 IonicContact OD2-NH1 3.8Å; R251-L253 PolarHBondContact O-N 3.32Å; R251-A254 WeakPolarHBondContact O-CB 3.4Å; R251-A254 PolarHBondContact O-N 3.08Å; R251-V255 WeakPolarHBondContact O-CG2 3.48Å; R251-V255 PolarHBondContact O-N 3.47Å
252W94.1Very high92.1Very high2 Ų227.9 Ų27.91%0.00814%0.139CC..Hα-helixtrans-50.9-53.9171.3173.885.5000112A243 E246 D248 A254 V255 L256 M293 W309 F330 V378A243-W252 VanDerWaalsContact O-CD1 3.22Å; E246-W252 HydrophobicContact CB-CB 4.13Å; D248-W252 WeakPolarHBondContact O-CB 3.44Å; D248-W252 PolarHBondContact O-N 2.89Å; W252-A254 VanDerWaalsContact C-N 3.31Å; W252-A254 PolarHBondContact O-N 3.35Å; W252-V255 PolarHBondContact O-N 3.01Å; W252-L256 HydrophobicContact CH2-CD2 3.74Å; W252-L256 HydrophobicContact CZ2-CD2 3.82Å; W252-L256 HydrophobicContact CZ3-CD2 4.27Å; W252-L256 WeakPolarHBondContact O-CB 3.49Å; W252-L256 PolarHBondContact O-N 3.29Å; W252-M293 HydrophobicContact CZ3-CE 3.91Å; W252-W309 HydrophobicContact CB-CZ2 4.13Å; W252-W309 HydrophobicContact CD2-CH2 4.44Å; W252-W309 AromaticContact CD2-CZ2 3.6Å; W252-W309 HydrophobicContact CD2-CZ2 3.6Å; W252-W309 AromaticContact CE3-CH2 3.87Å; W252-W309 HydrophobicContact CE3-CH2 3.87Å; W252-W309 AromaticContact CE3-CZ2 3.39Å; W252-W309 HydrophobicContact CE3-CZ2 3.39Å; W252-W309 AromaticContact CG-CZ2 3.91Å; W252-W309 HydrophobicContact CG-CZ2 3.91Å; W252-W309 HydrophobicContact CZ3-CH2 4.02Å; W252-W309 AromaticContact CZ3-CZ2 3.99Å; W252-W309 HydrophobicContact CZ3-CZ2 3.99Å; W252-F330 HydrophobicContact CH2-CD1 4.24Å; W252-F330 HydrophobicContact CH2-CE1 4.02Å; W252-F330 HydrophobicContact CZ3-CE1 4.39Å; W252-V378 HydrophobicContact CZ2-CB 4.24Å; W252-V378 HydrophobicContact CZ2-CG2 4.06Å
253L94.6Very high92Very high1 Ų123.6 Ų23.61%0.00512%0.123CC..Hα-helixtrans-65.5-36.3-178.4-16379.3000111.9S249 R251 S257 V290 M293 F294S249-L253 PolarHBondContact O-N 2.87Å; R251-L253 PolarHBondContact O-N 3.32Å; L253-S257 WeakPolarHBondContact O-CB 3.28Å; L253-S257 PolarHBondContact O-N 3.47Å; L253-V290 HydrophobicContact CD2-CG1 3.85Å; L253-V290 HydrophobicContact CG-CG1 4.3Å; L253-M293 HydrophobicContact CD1-CB 3.97Å; L253-M293 HydrophobicContact CD1-CG 3.39Å; L253-M293 HydrophobicContact CD2-CB 4.09Å; L253-M293 HydrophobicContact CD2-CG 3.97Å; L253-M293 HydrophobicContact CG-CG 4.36Å; L253-F294 HydrophobicContact CB-CE1 4.42Å; L253-F294 HydrophobicContact CB-CZ 4.35Å; L253-F294 HydrophobicContact CD2-CD1 3.72Å; L253-F294 HydrophobicContact CD2-CD2 3.57Å; L253-F294 HydrophobicContact CD2-CE1 3.66Å; L253-F294 HydrophobicContact CD2-CE2 3.5Å; L253-F294 VanDerWaalsContact CD2-CE2 3.5Å; L253-F294 HydrophobicContact CD2-CG 3.68Å; L253-F294 HydrophobicContact CD2-CZ 3.54Å; L253-F294 HydrophobicContact CG-CE2 4.45Å; L253-F294 HydrophobicContact CG-CZ 4.31Å
254A93.7Very high92Very high0 Ų023.6 Ų23.60%012%0.122CC..Hα-helixtrans-61.9-49.3175.300000111.7L185 P186 H189 K250 R251 W252 S257 L258L185-A254 HydrophobicContact CD2-CB 3.58Å; P186-A254 HydrophobicContact CB-CB 4.41Å; H189-A254 HydrophobicContact CB-CB 3.86Å; K250-A254 WeakPolarHBondContact O-CB 3.28Å; K250-A254 PolarHBondContact O-N 3.46Å; K250-A254 VanDerWaalsContact O-N 3.1Å; R251-A254 WeakPolarHBondContact O-CB 3.4Å; R251-A254 PolarHBondContact O-N 3.08Å; W252-A254 VanDerWaalsContact C-N 3.31Å; W252-A254 PolarHBondContact O-N 3.35Å; A254-S257 PolarHBondContact O-N 2.76Å; A254-S257 PolarHBondContact O-OG 3.26Å; A254-L258 PolarHBondContact O-N 2.93Å
255V93.7Very high92.1Very high0 Ų017.3 Ų17.30%010%0.099CC..Hα-helixtrans-65.5-39.6178.3179.40000111.1P186 F239 W242 A243 E246 R251 W252 S257 L258P186-V255 HydrophobicContact CB-CG2 4.25Å; P186-V255 HydrophobicContact CG-CG2 3.89Å; F239-V255 HydrophobicContact CB-CG1 4.03Å; F239-V255 HydrophobicContact CD1-CG1 4.49Å; F239-V255 WeakPolarHBondContact O-CG1 3.41Å; W242-V255 HydrophobicContact CB-CG1 3.99Å; W242-V255 HydrophobicContact CD2-CG1 4.21Å; W242-V255 HydrophobicContact CD2-CG2 4.15Å; W242-V255 HydrophobicContact CE3-CG1 4.48Å; W242-V255 HydrophobicContact CG-CG1 4.02Å; W242-V255 HydrophobicContact CG-CG2 4.38Å; W242-V255 HydrophobicContact CZ2-CG2 4.49Å; A243-V255 HydrophobicContact CB-CB 4.28Å; A243-V255 HydrophobicContact CB-CG1 3.9Å; E246-V255 HydrophobicContact CG-CG2 4.44Å; R251-V255 WeakPolarHBondContact O-CG2 3.48Å; R251-V255 PolarHBondContact O-N 3.47Å; W252-V255 PolarHBondContact O-N 3.01Å; V255-S257 VanDerWaalsContact C-N 3.31Å; V255-S257 PolarHBondContact O-N 3.17Å; V255-L258 WeakPolarHBondContact O-CB 3.33Å; V255-L258 PolarHBondContact O-N 3.32Å
256L92.5Very high92.1Very high5 Ų514 Ų143%0.0267%0.071CC..Hα-helixtrans-61-39.7173.7-174.466.5000111.7W252 L258 L259 H260 L374W252-L256 HydrophobicContact CH2-CD2 3.74Å; W252-L256 HydrophobicContact CZ2-CD2 3.82Å; W252-L256 HydrophobicContact CZ3-CD2 4.27Å; W252-L256 WeakPolarHBondContact O-CB 3.49Å; W252-L256 PolarHBondContact O-N 3.29Å; L256-L258 VanDerWaalsContact C-N 3.27Å; L256-L258 PolarHBondContact O-N 3.36Å; L256-L259 WeakPolarHBondContact O-CB 3.07Å; L256-L259 PolarHBondContact O-N 3.2Å; L256-H260 PolarHBondContact O-CD2 3.27Å; L256-H260 VanDerWaalsContact O-CD2 3.32Å; L256-H260 PolarHBondContact O-N 3.22Å; L256-L374 HydrophobicContact CD1-CD1 4.45Å
257S92.6Very high91.9Very high1 Ų112.3 Ų12.31%0.0076%0.063CC..Hα-helixtrans-65.7-27.5177.577.60000113.5L253 A254 V255 L259 M261L253-S257 WeakPolarHBondContact O-CB 3.28Å; L253-S257 PolarHBondContact O-N 3.47Å; A254-S257 PolarHBondContact O-N 2.76Å; A254-S257 PolarHBondContact O-OG 3.26Å; V255-S257 VanDerWaalsContact C-N 3.31Å; V255-S257 PolarHBondContact O-N 3.17Å; S257-L259 VanDerWaalsContact C-N 3.33Å; S257-M261 WeakPolarHBondContact O-CB 3.46Å; S257-M261 VanDerWaalsContact O-CG 3.26Å; S257-M261 WeakPolarHBondContact O-CG 3.49Å; S257-M261 PolarHBondContact O-N 2.95Å
258L93.1Very high91.8Very high0 Ų08.5 Ų8.50%04%0.04CC..Hα-helixtrans-61.9-44.2173.6-62.6177.7000110.6P177 H182 L185 P186 F239 A254 V255 L256 M261 V262P177-L258 HydrophobicContact CB-CD2 3.46Å; P177-L258 VanDerWaalsContact CB-CD2 3.46Å; P177-L258 HydrophobicContact CG-CD2 3.45Å; P177-L258 VanDerWaalsContact CG-CD2 3.45Å; H182-L258 HydrophobicContact CB-CD1 4.03Å; H182-L258 HydrophobicContact CB-CD2 4.12Å; L185-L258 HydrophobicContact CB-CD2 4.2Å; L185-L258 HydrophobicContact CD1-CD2 3.99Å; L185-L258 HydrophobicContact CD2-CD2 4.29Å; L185-L258 HydrophobicContact CG-CD2 4.4Å; P186-L258 HydrophobicContact CG-CD1 4.26Å; F239-L258 HydrophobicContact CD1-CD1 4.08Å; F239-L258 HydrophobicContact CD2-CB 3.73Å; F239-L258 HydrophobicContact CE1-CD1 3.9Å; F239-L258 HydrophobicContact CE2-CB 3.87Å; F239-L258 HydrophobicContact CE2-CD1 4.33Å; F239-L258 HydrophobicContact CG-CB 4.15Å; F239-L258 HydrophobicContact CG-CD1 4.41Å; F239-L258 HydrophobicContact CZ-CB 4.4Å; F239-L258 HydrophobicContact CZ-CD1 4.01Å; A254-L258 PolarHBondContact O-N 2.93Å; V255-L258 WeakPolarHBondContact O-CB 3.33Å; V255-L258 PolarHBondContact O-N 3.32Å; L256-L258 VanDerWaalsContact C-N 3.27Å; L256-L258 PolarHBondContact O-N 3.36Å; L258-M261 PolarHBondContact O-N 3.41Å; L258-V262 VanDerWaalsContact O-CG2 3.22Å; L258-V262 WeakPolarHBondContact O-CG2 3.37Å; L258-V262 PolarHBondContact O-N 2.89Å
259L91.6Very high91.4Very high1 Ų17.5 Ų7.51%0.0053%0.034CC..Hα-helixtrans-61.6-50.4178.5-179.4133.6000111.9F239 M240 L256 S257 M261 V262 I367F239-L259 HydrophobicContact CB-CB 4.5Å; M240-L259 HydrophobicContact CB-CD1 4.38Å; M240-L259 HydrophobicContact CG-CD1 3.1Å; M240-L259 HydrophobicContact SD-CD1 3.94Å; L256-L259 WeakPolarHBondContact O-CB 3.07Å; L256-L259 PolarHBondContact O-N 3.2Å; S257-L259 VanDerWaalsContact C-N 3.33Å; L259-M261 VanDerWaalsContact C-N 3.34Å; L259-M261 PolarHBondContact O-N 2.9Å; L259-V262 PolarHBondContact O-N 3.07Å; L259-I367 HydrophobicContact CD1-CG1 4.38Å; L259-I367 HydrophobicContact CD2-CG1 4.49Å; L259-I367 HydrophobicContact CD2-CG2 4.13Å; L259-I367 HydrophobicContact CG-CG1 4.43Å
260H90.9Very high91Very high1 Ų18.7 Ų8.71%0.0054%0.039CC..Hα-helixtrans-65.1-35.3179.3-69.7-66000112.5L256 V262 V263 Y282 A333 E345L256-H260 PolarHBondContact O-CD2 3.27Å; L256-H260 VanDerWaalsContact O-CD2 3.32Å; L256-H260 PolarHBondContact O-N 3.22Å; H260-V262 VanDerWaalsContact C-N 3.28Å; H260-V262 PolarHBondContact O-N 3.43Å; H260-V263 VanDerWaalsContact O-CB 3.31Å; H260-V263 WeakPolarHBondContact O-CB 3.49Å; H260-V263 PolarHBondContact O-N 2.87Å; H260-Y282 WeakPolarHBondContact CA-OH 3.37Å; H260-Y282 HydrophobicContact CB-CE1 4.46Å; H260-Y282 VanDerWaalsContact CB-OH 3.32Å; H260-Y282 WeakPolarHBondContact CB-OH 3.4Å; H260-Y282 PolarHBondContact ND1-OH 2.84Å; H260-Y282 VanDerWaalsContact O-CE1 3.25Å; H260-Y282 WeakPolarHBondContact O-CE1 3.29Å; H260-Y282 PolarHBondContact O-OH 3Å; H260-A333 PolarHBondContact NE2-O 3.21Å; H260-E345 IonicContact CE1-OE1 3.47Å; H260-E345 PolarHBondContact CE1-OE1 3.22Å; H260-E345 IonicContact ND1-OE1 3.04Å; H260-E345 PolarHBondContact ND1-OE1 3.45Å
261M92Very high89.9Confident1 Ų19.2 Ų9.21%0.0055%0.047CC..Hα-helixtrans-63.9-32.8177.9-74.2-58.7-60.900113I176 M205 M209 S257 L258 L259 V263 S264 V265 L283I176-M261 HydrophobicContact CG2-CE 4.34Å; M205-M261 HydrophobicContact CB-CE 4.08Å; M205-M261 HydrophobicContact CB-SD 4.31Å; M205-M261 HydrophobicContact CE-CB 4.43Å; M205-M261 HydrophobicContact CE-CG 3.33Å; M205-M261 HydrophobicContact CE-SD 4.24Å; M209-M261 HydrophobicContact CG-CE 3.83Å; S257-M261 WeakPolarHBondContact O-CB 3.46Å; S257-M261 VanDerWaalsContact O-CG 3.26Å; S257-M261 WeakPolarHBondContact O-CG 3.49Å; S257-M261 PolarHBondContact O-N 2.95Å; L258-M261 PolarHBondContact O-N 3.41Å; L259-M261 VanDerWaalsContact C-N 3.34Å; L259-M261 PolarHBondContact O-N 2.9Å; M261-V263 VanDerWaalsContact C-N 3.3Å; M261-V263 PolarHBondContact O-N 3.39Å; M261-S264 PolarHBondContact O-N 2.91Å; M261-S264 PolarHBondContact O-OG 3.34Å; M261-V265 PolarHBondContact O-N 3.49Å; M261-L283 HydrophobicContact CE-CD2 3.75Å; M261-L283 HydrophobicContact SD-CD2 3.97Å
262V91.5Very high88.5Confident0 Ų012.4 Ų12.40%07%0.066CC..Hα-helixtrans-66.5-34.7178.7-164.30000111.5L178 F233 L258 L259 H260 S264 V265 V266L178-V262 HydrophobicContact CD2-CB 4.2Å; L178-V262 HydrophobicContact CD2-CG1 3.96Å; L178-V262 HydrophobicContact CD2-CG2 3.73Å; F233-V262 HydrophobicContact CB-CG1 4.2Å; F233-V262 HydrophobicContact CD2-CB 4.09Å; F233-V262 HydrophobicContact CD2-CG1 3.58Å; F233-V262 HydrophobicContact CE2-CG1 4.43Å; F233-V262 HydrophobicContact CG-CG1 4.35Å; L258-V262 VanDerWaalsContact O-CG2 3.22Å; L258-V262 WeakPolarHBondContact O-CG2 3.37Å; L258-V262 PolarHBondContact O-N 2.89Å; L259-V262 PolarHBondContact O-N 3.07Å; H260-V262 VanDerWaalsContact C-N 3.28Å; H260-V262 PolarHBondContact O-N 3.43Å; V262-S264 VanDerWaalsContact C-N 3.25Å; V262-S264 PolarHBondContact O-N 2.98Å; V262-V265 WeakPolarHBondContact O-CB 3.48Å; V262-V265 PolarHBondContact O-N 3.36Å; V262-V266 HydrophobicContact CG1-CG2 4.46Å; V262-V266 WeakPolarHBondContact O-CG2 2.96Å; V262-V266 PolarHBondContact O-N 3.14Å
263V91.6Very high86.5Confident1 Ų123.3 Ų23.31%0.00611%0.108CC..Hα-helixtrans-53.4-44.9173.9-179.30000110.7F233 H260 M261 V265 V266 M267 Y282 E345 V348 I367F233-V263 HydrophobicContact CE2-CG2 4.25Å; H260-V263 VanDerWaalsContact O-CB 3.31Å; H260-V263 WeakPolarHBondContact O-CB 3.49Å; H260-V263 PolarHBondContact O-N 2.87Å; M261-V263 VanDerWaalsContact C-N 3.3Å; M261-V263 PolarHBondContact O-N 3.39Å; V263-V265 VanDerWaalsContact C-N 3.35Å; V263-V265 PolarHBondContact O-N 3.34Å; V263-V266 PolarHBondContact O-N 3.14Å; V263-M267 WeakPolarHBondContact O-CG 3.48Å; V263-M267 PolarHBondContact O-N 3.47Å; V263-Y282 HydrophobicContact CB-CE1 4.01Å; V263-Y282 HydrophobicContact CG1-CE1 4.13Å; V263-Y282 HydrophobicContact CG1-CE2 4.05Å; V263-E345 HydrophobicContact CG1-CG 3.77Å; V263-E345 HydrophobicContact CG2-CG 4.44Å; V263-V348 HydrophobicContact CG1-CG2 3.48Å; V263-V348 VanDerWaalsContact CG1-CG2 3.48Å; V263-I367 HydrophobicContact CG2-CG2 3.81Å
264S90.3Very high84.9Confident0 Ų028.3 Ų28.30%014%0.135CC..Hα-helixtrans-66.8-33.5178.970.90000113.7M209 M261 V262 L268 L283M209-S264 WeakPolarHBondContact CE-OG 3.31Å; M261-S264 PolarHBondContact O-N 2.91Å; M261-S264 PolarHBondContact O-OG 3.34Å; V262-S264 VanDerWaalsContact C-N 3.25Å; V262-S264 PolarHBondContact O-N 2.98Å; S264-L268 PolarHBondContact O-N 3.22Å; S264-L283 WeakPolarHBondContact OG-CD2 3.28Å
265V89.9Confident83.4Confident9 Ų928.4 Ų28.46%0.05514%0.136CC..Hα-helixtrans-69.3-42.9176.4176.10000110.8I176 L178 M209 V229 M261 V262 V263 M267 L268 I269I176-V265 HydrophobicContact CG2-CG2 3.7Å; L178-V265 HydrophobicContact CD1-CG1 4.2Å; L178-V265 HydrophobicContact CD1-CG2 4.29Å; L178-V265 HydrophobicContact CD2-CG2 4.15Å; M209-V265 HydrophobicContact CE-CB 4.36Å; M209-V265 HydrophobicContact CE-CG2 3.71Å; M209-V265 HydrophobicContact SD-CG2 3.49Å; M209-V265 WeakPolarHBondContact SD-CG2 3.46Å; V229-V265 HydrophobicContact CG1-CG1 4Å; V229-V265 HydrophobicContact CG2-CG1 4.36Å; M261-V265 PolarHBondContact O-N 3.49Å; V262-V265 WeakPolarHBondContact O-CB 3.48Å; V262-V265 PolarHBondContact O-N 3.36Å; V263-V265 VanDerWaalsContact C-N 3.35Å; V263-V265 PolarHBondContact O-N 3.34Å; V265-M267 VanDerWaalsContact C-N 3.33Å; V265-M267 PolarHBondContact O-N 2.95Å; V265-L268 PolarHBondContact O-N 3.46Å; V265-I269 HydrophobicContact CG1-CD1 3.9Å; V265-I269 PolarHBondContact O-N 3.11Å
266V89.9Confident82.3Confident2 Ų231.7 Ų31.71%0.01215%0.153CC..Hα-helixtrans-60.1-44.8175.61700000110.9V229 F233 V262 V263 L268 I269 F270 V348 L360V229-V266 HydrophobicContact CG1-CG2 3.99Å; F233-V266 HydrophobicContact CB-CG2 3.83Å; F233-V266 HydrophobicContact CD1-CG2 3.82Å; F233-V266 HydrophobicContact CD2-CG2 3.63Å; F233-V266 HydrophobicContact CE1-CG1 4.45Å; F233-V266 HydrophobicContact CE1-CG2 4.22Å; F233-V266 HydrophobicContact CE2-CG2 3.96Å; F233-V266 HydrophobicContact CG-CG2 3.53Å; F233-V266 HydrophobicContact CZ-CG2 4.27Å; V262-V266 HydrophobicContact CG1-CG2 4.46Å; V262-V266 WeakPolarHBondContact O-CG2 2.96Å; V262-V266 PolarHBondContact O-N 3.14Å; V263-V266 PolarHBondContact O-N 3.14Å; V266-L268 VanDerWaalsContact C-N 3.25Å; V266-L268 PolarHBondContact O-N 3.12Å; V266-I269 PolarHBondContact O-N 2.97Å; V266-F270 HydrophobicContact CG1-CD2 3.9Å; V266-F270 PolarHBondContact O-N 2.64Å; V266-V348 HydrophobicContact CG1-CG1 3.9Å; V266-L360 HydrophobicContact CG1-CD1 3.73Å
267M88Confident81.6Confident1 Ų133.7 Ų33.71%0.00516%0.164CC..Hα-helixtrans-59.3-34.9177.2-74.3-59-8800113.7V263 V265 G271 I278 V348 M351V263-M267 WeakPolarHBondContact O-CG 3.48Å; V263-M267 PolarHBondContact O-N 3.47Å; V265-M267 VanDerWaalsContact C-N 3.33Å; V265-M267 PolarHBondContact O-N 2.95Å; M267-G271 WeakPolarHBondContact O-CA 3.45Å; M267-G271 PolarHBondContact O-N 2.98Å; M267-I278 HydrophobicContact CE-CB 3.89Å; M267-I278 HydrophobicContact CE-CG2 3.46Å; M267-I278 VanDerWaalsContact CE-CG2 3.46Å; M267-V348 HydrophobicContact CG-CG2 3.27Å; M267-V348 WeakPolarHBondContact SD-CA 3.25Å; M267-V348 HydrophobicContact SD-CB 3.92Å; M267-V348 HydrophobicContact SD-CG2 3.18Å; M267-V348 WeakPolarHBondContact SD-CG2 3.49Å; M267-V348 PolarHBondContact SD-N 3.38Å; M267-V348 VanDerWaalsContact SD-N 3.36Å; M267-M351 HydrophobicContact SD-CG 4.36Å
268L85.6Confident81.2Confident13 Ų1336.4 Ų36.47%0.06818%0.178CC..Hα-helixtrans-71.8-30.1178.9-77-169.3000113.6M209 L213 S264 V265 V266 S279M209-L268 HydrophobicContact CE-CD1 3.29Å; M209-L268 HydrophobicContact CE-CG 3.95Å; L213-L268 HydrophobicContact CD1-CD1 4.04Å; L213-L268 HydrophobicContact CD1-CD2 4.06Å; L213-L268 HydrophobicContact CD2-CD1 3.8Å; L213-L268 HydrophobicContact CD2-CD2 3.49Å; L213-L268 VanDerWaalsContact CD2-CD2 3.49Å; L213-L268 HydrophobicContact CD2-CG 4.28Å; L213-L268 HydrophobicContact CG-CD1 3.69Å; L213-L268 HydrophobicContact CG-CD2 4.08Å; S264-L268 PolarHBondContact O-N 3.22Å; V265-L268 PolarHBondContact O-N 3.46Å; V266-L268 VanDerWaalsContact C-N 3.25Å; V266-L268 PolarHBondContact O-N 3.12Å; L268-S279 WeakPolarHBondContact CD2-OG 3.49Å
269I85.7Confident80.9Confident28 Ų2836.4 Ų36.414%0.14418%0.178CC..Hα-helixtrans-95.8-41.5-171.7-69.3161.8000111.7L220 V225 V229 V265 V266 G271L220-I269 HydrophobicContact CD2-CG1 4.31Å; V225-I269 HydrophobicContact CG1-CD1 3.9Å; V225-I269 HydrophobicContact CG1-CG1 4.36Å; V229-I269 HydrophobicContact CB-CD1 3.82Å; V229-I269 HydrophobicContact CG1-CD1 3.84Å; V229-I269 HydrophobicContact CG2-CD1 3.33Å; V265-I269 HydrophobicContact CG1-CD1 3.9Å; V265-I269 PolarHBondContact O-N 3.11Å; V266-I269 PolarHBondContact O-N 2.97Å; I269-G271 VanDerWaalsContact C-N 3.28Å
270F83.2Confident80.6Confident29 Ų2936.7 Ų36.713%0.12718%0.179CC..SBendtrans-86.8-2.3-179.7-74.5-83.3000113.5S226 A230 V266 L360S226-F270 WeakPolarHBondContact O-CZ 3.25Å; A230-F270 HydrophobicContact CB-CE2 4.48Å; A230-F270 HydrophobicContact CB-CZ 4.08Å; V266-F270 HydrophobicContact CG1-CD2 3.9Å; V266-F270 PolarHBondContact O-N 2.64Å; F270-L360 HydrophobicContact CB-CD2 4.46Å; F270-L360 HydrophobicContact CD1-CD2 3.7Å; F270-L360 HydrophobicContact CD2-CD1 4Å; F270-L360 HydrophobicContact CD2-CD2 4.08Å; F270-L360 HydrophobicContact CE1-CD2 3.87Å; F270-L360 HydrophobicContact CE2-CD1 3.72Å; F270-L360 HydrophobicContact CE2-CD2 4.24Å; F270-L360 HydrophobicContact CG-CD2 3.8Å; F270-L360 HydrophobicContact CZ-CD1 4.05Å; F270-L360 HydrophobicContact CZ-CD2 4.14Å
271G70.3Confident80.5Confident22 Ų2240.2 Ų40.223%0.22720%0.197CC..  trans-85.6126.2-167.200000113.6M267 I269 T275M267-G271 WeakPolarHBondContact O-CA 3.45Å; M267-G271 PolarHBondContact O-N 2.98Å; I269-G271 VanDerWaalsContact C-N 3.28Å; G271-T275 VanDerWaalsContact CA-CB 3.46Å; G271-T275 WeakPolarHBondContact CA-OG1 3.31Å; G271-T275 PolarHBondContact O-OG1 3.44Å
272E64Low80.4Confident144 Ų14440.2 Ų40.267%0.67320%0.197SC*.  trans-93.8133.8175.5-65.3-174.5171.400112.2N274E272-N274 PolarHBondContact O-N 2.91Å
273Y51.8Low80.4Confident230 Ų23040.3 Ų40.390%0.90220%0.198SC*.SBendtrans43.2-3.7166.5-81.5-78.2000122.2
274N60.6Low80.4Confident106 Ų10642.4 Ų42.457%0.56721%0.206SC*.SBendtrans-158.30.2173.8-85-39.3000114.6E272 D276 L277E272-N274 PolarHBondContact O-N 2.91Å; N274-D276 VanDerWaalsContact C-N 3.3Å; N274-D276 PolarHBondContact O-N 2.89Å; N274-L277 PolarHBondContact O-N 3.05Å
275T62.6Low80.4Confident3 Ų342.8 Ų42.82%0.01821%0.21CC..Hα-helixtrans-70-20.8-175.346.20000114.7G271 L277 I278 S279 M351G271-T275 VanDerWaalsContact CA-CB 3.46Å; G271-T275 WeakPolarHBondContact CA-OG1 3.31Å; G271-T275 PolarHBondContact O-OG1 3.44Å; T275-L277 PolarHBondContact O-N 3.42Å; T275-I278 PolarHBondContact O-N 2.87Å; T275-I278 VanDerWaalsContact O-N 3.08Å; T275-S279 PolarHBondContact O-N 3.05Å; T275-M351 HydrophobicContact CG2-CE 3.64Å; T275-M351 HydrophobicContact CG2-CG 4.13Å; T275-M351 HydrophobicContact CG2-SD 3.72Å
276D71Confident80.6Confident68 Ų6842.4 Ų42.436%0.36421%0.208SC..Hα-helixtrans-55.7-43.2174.7-66.1-10.9000110.4N274 S279 L280N274-D276 VanDerWaalsContact C-N 3.3Å; N274-D276 PolarHBondContact O-N 2.89Å; D276-S279 PolarHBondContact O-N 3.3Å; D276-S279 PolarHBondContact O-OG 3.48Å; D276-L280 WeakPolarHBondContact O-CB 3.28Å; D276-L280 WeakPolarHBondContact O-CD1 3.11Å; D276-L280 WeakPolarHBondContact O-CG 3.4Å; D276-L280 PolarHBondContact O-N 3.28Å
277L77.4Confident80.7Confident47 Ų4742.3 Ų42.325%0.24621%0.207CC..Hα-helixtrans-63.5-43.5176.4-77169000112M36 C49 N274 T275 S279 L280 L281M36-L277 HydrophobicContact CE-CD1 4.18Å; M36-L277 HydrophobicContact CE-CD2 3.46Å; M36-L277 VanDerWaalsContact CE-CD2 3.46Å; M36-L277 HydrophobicContact CE-CG 3.44Å; M36-L277 VanDerWaalsContact CE-CG 3.44Å; M36-L277 HydrophobicContact CG-CD1 4.2Å; M36-L277 HydrophobicContact CG-CG 4.41Å; M36-L277 HydrophobicContact SD-CD1 3.63Å; M36-L277 HydrophobicContact SD-CD2 3.61Å; M36-L277 HydrophobicContact SD-CG 3.58Å; M36-L277 VanDerWaalsContact SD-CG 3.58Å; C49-L277 HydrophobicContact CB-CD2 3.9Å; N274-L277 PolarHBondContact O-N 3.05Å; T275-L277 PolarHBondContact O-N 3.42Å; L277-S279 VanDerWaalsContact C-N 3.34Å; L277-L280 PolarHBondContact O-N 2.97Å; L277-L281 WeakPolarHBondContact O-CB 3.26Å; L277-L281 VanDerWaalsContact O-CG 3.27Å; L277-L281 WeakPolarHBondContact O-CG 3.47Å; L277-L281 PolarHBondContact O-N 3.48Å
278I84.3Confident80.8Confident59 Ų5943.6 Ų43.630%0.30322%0.216SC..Hα-helixtrans-64.6-42.9-179.5-56.1174.5000109.9M267 T275 L280 L281 Y282M267-I278 HydrophobicContact CE-CB 3.89Å; M267-I278 HydrophobicContact CE-CG2 3.46Å; M267-I278 VanDerWaalsContact CE-CG2 3.46Å; T275-I278 PolarHBondContact O-N 2.87Å; T275-I278 VanDerWaalsContact O-N 3.08Å; I278-L280 VanDerWaalsContact C-N 3.31Å; I278-L280 PolarHBondContact O-N 2.64Å; I278-L281 PolarHBondContact O-N 2.78Å; I278-Y282 WeakPolarHBondContact O-CB 3.38Å; I278-Y282 PolarHBondContact O-N 3.07Å
279S86.6Confident81.2Confident0 Ų043.7 Ų43.70%022%0.217CC..Hα-helixtrans-60.6-40.9175.881.80000111.7L268 T275 D276 L277 Y282 L283L268-S279 WeakPolarHBondContact CD2-OG 3.49Å; T275-S279 PolarHBondContact O-N 3.05Å; D276-S279 PolarHBondContact O-N 3.3Å; D276-S279 PolarHBondContact O-OG 3.48Å; L277-S279 VanDerWaalsContact C-N 3.34Å; S279-Y282 WeakPolarHBondContact O-CB 3.46Å; S279-Y282 PolarHBondContact O-N 3.04Å; S279-L283 WeakPolarHBondContact O-CB 3.27Å; S279-L283 VanDerWaalsContact O-CG 3.26Å; S279-L283 WeakPolarHBondContact O-CG 3.5Å; S279-L283 PolarHBondContact O-N 2.98Å
280L85.1Confident81.5Confident7 Ų742.5 Ų42.54%0.03721%0.212CC..Hα-helixtrans-71.4-39179.6-70.9168.9000111.7L50 L53 L213 D276 L277 I278 Y282 L283 Y284L50-L280 HydrophobicContact CB-CD1 3.87Å; L50-L280 HydrophobicContact CB-CD2 4.46Å; L50-L280 HydrophobicContact CD1-CD1 4.3Å; L50-L280 HydrophobicContact CD1-CD2 3.98Å; L50-L280 HydrophobicContact CG-CD1 4.2Å; L50-L280 HydrophobicContact CG-CD2 3.9Å; L53-L280 HydrophobicContact CD1-CB 3.74Å; L213-L280 HydrophobicContact CD1-CD2 3.8Å; L213-L280 HydrophobicContact CD1-CG 4.33Å; D276-L280 WeakPolarHBondContact O-CB 3.28Å; D276-L280 WeakPolarHBondContact O-CD1 3.11Å; D276-L280 WeakPolarHBondContact O-CG 3.4Å; D276-L280 PolarHBondContact O-N 3.28Å; L277-L280 PolarHBondContact O-N 2.97Å; I278-L280 VanDerWaalsContact C-N 3.31Å; I278-L280 PolarHBondContact O-N 2.64Å; L280-Y282 VanDerWaalsContact C-N 3.35Å; L280-L283 HydrophobicContact CD2-CD1 4.41Å; L280-L283 PolarHBondContact O-N 3.38Å; L280-Y284 WeakPolarHBondContact O-CB 3.12Å; L280-Y284 PolarHBondContact O-N 3.08Å
281L88Confident81.9Confident74 Ų7441.1 Ų41.139%0.38721%0.206SC..Hα-helixtrans-65-39.8173.4-73.7170.4000111.4L53 L277 I278 Y284 G285L53-L281 HydrophobicContact CD1-CD2 4.32Å; L53-L281 HydrophobicContact CD2-CD2 4.13Å; L277-L281 WeakPolarHBondContact O-CB 3.26Å; L277-L281 VanDerWaalsContact O-CG 3.27Å; L277-L281 WeakPolarHBondContact O-CG 3.47Å; L277-L281 PolarHBondContact O-N 3.48Å; I278-L281 PolarHBondContact O-N 2.78Å; L281-Y284 WeakPolarHBondContact O-CB 3.24Å; L281-Y284 PolarHBondContact O-N 3.01Å; L281-G285 PolarHBondContact O-N 2.94Å
282Y91.7Very high82.9Confident1 Ų141.3 Ų41.30%0.00421%0.205CC..Hα-helixtrans-60.7-47.7173-179.2-91.1000111.3H260 V263 I278 S279 L280 Y284 G285 H286 Q341 E345H260-Y282 WeakPolarHBondContact CA-OH 3.37Å; H260-Y282 HydrophobicContact CB-CE1 4.46Å; H260-Y282 VanDerWaalsContact CB-OH 3.32Å; H260-Y282 WeakPolarHBondContact CB-OH 3.4Å; H260-Y282 PolarHBondContact ND1-OH 2.84Å; H260-Y282 VanDerWaalsContact O-CE1 3.25Å; H260-Y282 WeakPolarHBondContact O-CE1 3.29Å; H260-Y282 PolarHBondContact O-OH 3Å; V263-Y282 HydrophobicContact CB-CE1 4.01Å; V263-Y282 HydrophobicContact CG1-CE1 4.13Å; V263-Y282 HydrophobicContact CG1-CE2 4.05Å; I278-Y282 WeakPolarHBondContact O-CB 3.38Å; I278-Y282 PolarHBondContact O-N 3.07Å; S279-Y282 WeakPolarHBondContact O-CB 3.46Å; S279-Y282 PolarHBondContact O-N 3.04Å; L280-Y282 VanDerWaalsContact C-N 3.35Å; Y282-Y284 VanDerWaalsContact C-N 3.3Å; Y282-Y284 PolarHBondContact O-N 3.17Å; Y282-G285 PolarHBondContact O-N 3.02Å; Y282-H286 WeakPolarHBondContact O-CB 3.09Å; Y282-H286 PolarHBondContact O-N 2.96Å; Y282-Q341 HydrophobicContact CD2-CB 4.08Å; Y282-Q341 HydrophobicContact CD2-CG 4.31Å; Y282-Q341 VanDerWaalsContact CD2-O 3.31Å; Y282-Q341 WeakPolarHBondContact CD2-O 3.49Å; Y282-Q341 HydrophobicContact CE2-CB 3.73Å; Y282-Q341 HydrophobicContact CE2-CG 4.05Å; Y282-Q341 VanDerWaalsContact CE2-O 3.31Å; Y282-Q341 WeakPolarHBondContact CE2-O 3.27Å; Y282-E345 HydrophobicContact CE2-CG 3.74Å; Y282-E345 PolarHBondContact OH-OE1 3.39Å
283L90.9Very high84.3Confident3 Ų334.4 Ų34.42%0.01617%0.173CC..Hα-helixtrans-59.7-39.7176.6-76.4166.1000112.4K206 M209 M261 S264 S279 L280 G287K206-L283 HydrophobicContact CG-CB 4.16Å; K206-L283 HydrophobicContact CG-CD2 3.63Å; K206-L283 HydrophobicContact CG-CG 4.43Å; M209-L283 HydrophobicContact CB-CD1 3.91Å; M209-L283 HydrophobicContact CE-CD1 4.4Å; M209-L283 HydrophobicContact CG-CD1 4.06Å; M209-L283 HydrophobicContact CG-CD2 4.04Å; M261-L283 HydrophobicContact CE-CD2 3.75Å; M261-L283 HydrophobicContact SD-CD2 3.97Å; S264-L283 WeakPolarHBondContact OG-CD2 3.28Å; S279-L283 WeakPolarHBondContact O-CB 3.27Å; S279-L283 VanDerWaalsContact O-CG 3.26Å; S279-L283 WeakPolarHBondContact O-CG 3.5Å; S279-L283 PolarHBondContact O-N 2.98Å; L280-L283 HydrophobicContact CD2-CD1 4.41Å; L280-L283 PolarHBondContact O-N 3.38Å; L283-G287 PolarHBondContact O-N 3.41Å
284Y90.9Very high86.2Confident44 Ų4423.6 Ų23.617%0.17313%0.13CC..Hα-helixtrans-62.6-50.9173.6177.1-98.3000111.6L56 L57 L280 L281 Y282 H286 G287 C288 L340L56-Y284 HydrophobicContact CB-CE2 4.19Å; L56-Y284 HydrophobicContact CD2-CD2 4.3Å; L56-Y284 HydrophobicContact CD2-CE1 4.36Å; L56-Y284 HydrophobicContact CD2-CE2 3.47Å; L56-Y284 VanDerWaalsContact CD2-CE2 3.47Å; L56-Y284 VanDerWaalsContact CD2-CZ 3.5Å; L56-Y284 WeakPolarHBondContact CD2-OH 3.21Å; L56-Y284 HydrophobicContact CG-CE2 3.8Å; L57-Y284 HydrophobicContact CB-CD2 3.97Å; L57-Y284 HydrophobicContact CB-CE2 4.25Å; L280-Y284 WeakPolarHBondContact O-CB 3.12Å; L280-Y284 PolarHBondContact O-N 3.08Å; L281-Y284 WeakPolarHBondContact O-CB 3.24Å; L281-Y284 PolarHBondContact O-N 3.01Å; Y282-Y284 VanDerWaalsContact C-N 3.3Å; Y282-Y284 PolarHBondContact O-N 3.17Å; Y284-H286 PolarHBondContact O-N 3.33Å; Y284-G287 PolarHBondContact O-N 3.44Å; Y284-C288 PolarHBondContact O-N 2.91Å; Y284-C288 VanDerWaalsContact O-N 3.07Å; Y284-C288 PolarHBondContact O-SG 3.26Å; Y284-L340 HydrophobicContact CD1-CD1 3.93Å; Y284-L340 HydrophobicContact CE1-CD1 4.19Å
285G91.7Very high87.6Confident8 Ų819.9 Ų19.98%0.08211%0.11CC..Hα-helixtrans-59.8-43.117800000113.1L281 Y282 S289 Q341L281-G285 PolarHBondContact O-N 2.94Å; Y282-G285 PolarHBondContact O-N 3.02Å; G285-S289 PolarHBondContact O-N 3.31Å; G285-S289 VanDerWaalsContact O-N 3.11Å; G285-S289 PolarHBondContact O-OG 2.91Å; G285-Q341 PolarHBondContact O-NE2 3.42Å; G285-Q341 VanDerWaalsContact O-NE2 3.13Å
286H92.7Very high89Confident1 Ų120.5 Ų20.51%0.00511%0.112CC..Hα-helixtrans-67.3-37174.8177.3-114.3000112.4K206 Y282 Y284 S289 V290 Q341K206-H286 PolarHBondContact NZ-ND1 3.25Å; Y282-H286 WeakPolarHBondContact O-CB 3.09Å; Y282-H286 PolarHBondContact O-N 2.96Å; Y284-H286 PolarHBondContact O-N 3.33Å; H286-S289 WeakPolarHBondContact CA-OG 3.31Å; H286-S289 PolarHBondContact O-OG 3.47Å; H286-S289 VanDerWaalsContact O-OG 3.06Å; H286-V290 WeakPolarHBondContact NE2-CG2 3.4Å; H286-V290 WeakPolarHBondContact O-CB 3.49Å; H286-V290 VanDerWaalsContact O-CG2 3.24Å; H286-V290 WeakPolarHBondContact O-CG2 3.28Å; H286-V290 PolarHBondContact O-N 3.49Å; H286-Q341 HydrophobicContact CB-CG 4.18Å
287G92Very high90Very high0 Ų017.6 Ų17.60%010%0.097CC..Hα-helixtrans-56.9-54.9172.800000112.1M61 L283 Y284 S291M61-G287 VanDerWaalsContact CE-C 3.4Å; M61-G287 VanDerWaalsContact CE-O 3.25Å; M61-G287 WeakPolarHBondContact CE-O 3.49Å; L283-G287 PolarHBondContact O-N 3.41Å; Y284-G287 PolarHBondContact O-N 3.44Å; G287-S291 WeakPolarHBondContact O-CB 3.43Å; G287-S291 PolarHBondContact O-N 3.29Å; G287-S291 VanDerWaalsContact O-N 3.11Å; G287-S291 PolarHBondContact O-OG 2.93Å; G287-S291 VanDerWaalsContact O-OG 3.08Å
288C91.1Very high90.7Very high29 Ų2918.8 Ų18.820%0.19610%0.098CC..Hα-helixtrans-64.8-41.1-176.7-68.50000113.5Y284 S291 A292Y284-C288 PolarHBondContact O-N 2.91Å; Y284-C288 VanDerWaalsContact O-N 3.07Å; Y284-C288 PolarHBondContact O-SG 3.26Å; C288-S291 WeakPolarHBondContact CA-OG 3.42Å; C288-S291 PolarHBondContact O-OG 2.59Å; C288-A292 WeakPolarHBondContact O-CB 3.47Å; C288-A292 PolarHBondContact O-N 2.97Å; C288-A292 VanDerWaalsContact O-N 3.09Å
289S92.6Very high91Very high14 Ų1420.8 Ų20.810%0.09810%0.102CC..Hα-helixtrans-67.3-47179.360.70000112.5G285 H286 S291 A292 M293 G332 Q341G285-S289 PolarHBondContact O-N 3.31Å; G285-S289 VanDerWaalsContact O-N 3.11Å; G285-S289 PolarHBondContact O-OG 2.91Å; H286-S289 WeakPolarHBondContact CA-OG 3.31Å; H286-S289 PolarHBondContact O-OG 3.47Å; H286-S289 VanDerWaalsContact O-OG 3.06Å; S289-S291 VanDerWaalsContact C-N 3.32Å; S289-S291 PolarHBondContact O-N 2.97Å; S289-A292 WeakPolarHBondContact O-CB 3.12Å; S289-A292 PolarHBondContact O-N 2.67Å; S289-M293 PolarHBondContact O-N 3.31Å; S289-G332 WeakPolarHBondContact CB-O 3.45Å; S289-G332 PolarHBondContact OG-O 2.91Å; S289-Q341 PolarHBondContact OG-NE2 3.25Å
290V92.7Very high91.2Very high4 Ų420.8 Ų20.82%0.02410%0.102CC..Hα-helixtrans-67.9-36.1-177.9176.90000110.4S201 L253 H286 M293 F294S201-V290 WeakPolarHBondContact OG-CG1 3.41Å; L253-V290 HydrophobicContact CD2-CG1 3.85Å; L253-V290 HydrophobicContact CG-CG1 4.3Å; H286-V290 WeakPolarHBondContact NE2-CG2 3.4Å; H286-V290 WeakPolarHBondContact O-CB 3.49Å; H286-V290 VanDerWaalsContact O-CG2 3.24Å; H286-V290 WeakPolarHBondContact O-CG2 3.28Å; H286-V290 PolarHBondContact O-N 3.49Å; V290-M293 PolarHBondContact O-N 3.12Å; V290-F294 HydrophobicContact CG1-CD2 3.71Å; V290-F294 HydrophobicContact CG1-CE2 3.58Å; V290-F294 WeakPolarHBondContact O-CD2 3.31Å; V290-F294 PolarHBondContact O-N 2.9Å
291S91.3Very high91.6Very high0 Ų022.8 Ų22.80%011%0.109CC..Hα-helixtrans-63.4-42.4171.957.40000112.9M61 G287 C288 S289 M293 F294 M295M61-S291 VanDerWaalsContact CE-OG 3.31Å; M61-S291 WeakPolarHBondContact CE-OG 3.3Å; M61-S291 WeakPolarHBondContact SD-CB 3.21Å; M61-S291 PolarHBondContact SD-OG 3.45Å; M61-S291 VanDerWaalsContact SD-OG 3.35Å; G287-S291 WeakPolarHBondContact O-CB 3.43Å; G287-S291 PolarHBondContact O-N 3.29Å; G287-S291 VanDerWaalsContact O-N 3.11Å; G287-S291 PolarHBondContact O-OG 2.93Å; G287-S291 VanDerWaalsContact O-OG 3.08Å; C288-S291 WeakPolarHBondContact CA-OG 3.42Å; C288-S291 PolarHBondContact O-OG 2.59Å; S289-S291 VanDerWaalsContact C-N 3.32Å; S289-S291 PolarHBondContact O-N 2.97Å; S291-M293 VanDerWaalsContact C-N 3.3Å; S291-M293 PolarHBondContact O-N 3.25Å; S291-F294 PolarHBondContact O-N 3.48Å; S291-M295 VanDerWaalsContact O-CG 3.27Å; S291-M295 WeakPolarHBondContact O-CG 3.46Å; S291-M295 PolarHBondContact O-N 3.11Å
292A91.5Very high91.7Very high25 Ų2522.4 Ų22.421%0.20711%0.112CC..Hα-helixtrans-62.6-41.1176.400000110.7C288 S289 M295 F296C288-A292 WeakPolarHBondContact O-CB 3.47Å; C288-A292 PolarHBondContact O-N 2.97Å; C288-A292 VanDerWaalsContact O-N 3.09Å; S289-A292 WeakPolarHBondContact O-CB 3.12Å; S289-A292 PolarHBondContact O-N 2.67Å; A292-M295 PolarHBondContact O-N 3.3Å; A292-F296 WeakPolarHBondContact O-CB 3.15Å; A292-F296 PolarHBondContact O-N 3.32Å
293M92.9Very high91.6Very high0 Ų025.5 Ų25.50%013%0.134CC..Hα-helixtrans-67.4-44.2178.2-171.749.2173.500113W252 L253 S289 V290 S291 M295 F296 M297 W309 V329 F330W252-M293 HydrophobicContact CZ3-CE 3.91Å; L253-M293 HydrophobicContact CD1-CB 3.97Å; L253-M293 HydrophobicContact CD1-CG 3.39Å; L253-M293 HydrophobicContact CD2-CB 4.09Å; L253-M293 HydrophobicContact CD2-CG 3.97Å; L253-M293 HydrophobicContact CG-CG 4.36Å; S289-M293 PolarHBondContact O-N 3.31Å; V290-M293 PolarHBondContact O-N 3.12Å; S291-M293 VanDerWaalsContact C-N 3.3Å; S291-M293 PolarHBondContact O-N 3.25Å; M293-M295 VanDerWaalsContact C-N 3.26Å; M293-M295 PolarHBondContact O-N 3.27Å; M293-F296 PolarHBondContact O-N 3.13Å; M293-F296 HydrophobicContact SD-CB 4.5Å; M293-F296 HydrophobicContact SD-CD1 4.2Å; M293-M297 HydrophobicContact CE-CE 4.26Å; M293-M297 HydrophobicContact CE-CG 3.76Å; M293-M297 HydrophobicContact CE-SD 3.65Å; M293-M297 HydrophobicContact CG-CG 4.28Å; M293-M297 VanDerWaalsContact O-CB 3.31Å; M293-M297 WeakPolarHBondContact O-CB 3.46Å; M293-M297 WeakPolarHBondContact O-CG 3.38Å; M293-M297 PolarHBondContact O-N 3.39Å; M293-M297 HydrophobicContact SD-CG 3.81Å; M293-M297 HydrophobicContact SD-SD 4.47Å; M293-W309 HydrophobicContact CE-CH2 3.62Å; M293-W309 HydrophobicContact CE-CZ3 4.15Å; M293-V329 HydrophobicContact CB-CG1 3.62Å; M293-V329 HydrophobicContact CG-CG1 4.04Å; M293-V329 HydrophobicContact SD-CG1 3.39Å; M293-V329 WeakPolarHBondContact SD-CG1 3.29Å; M293-F330 HydrophobicContact CE-CD1 4.17Å; M293-F330 HydrophobicContact CE-CD2 4.43Å; M293-F330 HydrophobicContact CE-CE1 3.6Å; M293-F330 HydrophobicContact CE-CE2 3.9Å; M293-F330 HydrophobicContact CE-CZ 3.47Å; M293-F330 VanDerWaalsContact CE-CZ 3.47Å
294F92.6Very high91.6Very high2 Ų229 Ų291%0.00915%0.151CC..Hα-helixtrans-60.3-36.8173.6-85.8-57000112.6H189 S197 V198 S201 K250 L253 V290 S291 W298H189-F294 AromaticContact CE1-CE2 3.72Å; H189-F294 AromaticContact CE1-CZ 3.63Å; H189-F294 AromaticContact CG-CZ 4Å; H189-F294 AromaticContact ND1-CE1 3.88Å; H189-F294 AromaticContact ND1-CE2 3.7Å; H189-F294 AromaticContact ND1-CZ 3.14Å; H189-F294 WeakPolarHBondContact ND1-CZ 3.43Å; S197-F294 VanDerWaalsContact OG-CD1 3.29Å; S197-F294 WeakPolarHBondContact OG-CD1 3.45Å; V198-F294 HydrophobicContact CG2-CB 3.64Å; S201-F294 VanDerWaalsContact OG-CD2 3.26Å; S201-F294 WeakPolarHBondContact OG-CD2 3.47Å; S201-F294 WeakPolarHBondContact OG-CE2 3.26Å; K250-F294 HydrophobicContact CG-CE1 4.48Å; L253-F294 HydrophobicContact CB-CE1 4.42Å; L253-F294 HydrophobicContact CB-CZ 4.35Å; L253-F294 HydrophobicContact CD2-CD1 3.72Å; L253-F294 HydrophobicContact CD2-CD2 3.57Å; L253-F294 HydrophobicContact CD2-CE1 3.66Å; L253-F294 HydrophobicContact CD2-CE2 3.5Å; L253-F294 VanDerWaalsContact CD2-CE2 3.5Å; L253-F294 HydrophobicContact CD2-CG 3.68Å; L253-F294 HydrophobicContact CD2-CZ 3.54Å; L253-F294 HydrophobicContact CG-CE2 4.45Å; L253-F294 HydrophobicContact CG-CZ 4.31Å; V290-F294 HydrophobicContact CG1-CD2 3.71Å; V290-F294 HydrophobicContact CG1-CE2 3.58Å; V290-F294 WeakPolarHBondContact O-CD2 3.31Å; V290-F294 PolarHBondContact O-N 2.9Å; S291-F294 PolarHBondContact O-N 3.48Å; F294-W298 VanDerWaalsContact O-CB 3.29Å; F294-W298 WeakPolarHBondContact O-CB 3.18Å; F294-W298 PolarHBondContact O-N 3.5Å
295M90.5Very high91.6Very high29 Ų2933.1 Ų33.114%0.14318%0.175CC..Hα-helixtrans-69.5-42.1175.9-70.9-62.8-67.500112.2F64 M67 V198 S291 A292 M293 M297 W298 W299F64-M295 HydrophobicContact CB-CG 4.16Å; F64-M295 HydrophobicContact CD1-CG 4.43Å; F64-M295 WeakPolarHBondContact O-CE 3.4Å; M67-M295 HydrophobicContact CB-CE 4.31Å; V198-M295 HydrophobicContact CG2-CG 3.92Å; V198-M295 HydrophobicContact CG2-SD 3.95Å; S291-M295 VanDerWaalsContact O-CG 3.27Å; S291-M295 WeakPolarHBondContact O-CG 3.46Å; S291-M295 PolarHBondContact O-N 3.11Å; A292-M295 PolarHBondContact O-N 3.3Å; M293-M295 VanDerWaalsContact C-N 3.26Å; M293-M295 PolarHBondContact O-N 3.27Å; M295-M297 VanDerWaalsContact C-N 3.32Å; M295-M297 PolarHBondContact O-N 2.95Å; M295-W298 HydrophobicContact CE-CE3 3.63Å; M295-W298 HydrophobicContact CE-CZ3 3.65Å; M295-W298 WeakPolarHBondContact O-CB 3.43Å; M295-W298 PolarHBondContact O-N 3Å; M295-W298 HydrophobicContact SD-CE3 3.78Å; M295-W298 HydrophobicContact SD-CZ3 4.26Å; M295-W299 PolarHBondContact O-N 3.05Å
296F91.6Very high91.5Very high16 Ų1633.8 Ų33.87%0.0718%0.179CC..Hα-helixtrans-61.4-43.7176.3-174.1-113.1000111.6A292 M293 W298 W299 G300 F316 I322 V325 S326 V329A292-F296 WeakPolarHBondContact O-CB 3.15Å; A292-F296 PolarHBondContact O-N 3.32Å; M293-F296 PolarHBondContact O-N 3.13Å; M293-F296 HydrophobicContact SD-CB 4.5Å; M293-F296 HydrophobicContact SD-CD1 4.2Å; F296-W298 VanDerWaalsContact C-N 3.32Å; F296-W298 PolarHBondContact O-N 3.47Å; F296-W299 HydrophobicContact CD2-CE3 4.38Å; F296-W299 HydrophobicContact CE2-CE3 4.11Å; F296-W299 HydrophobicContact CE2-CZ3 4.18Å; F296-W299 PolarHBondContact O-N 3.37Å; F296-G300 PolarHBondContact O-N 3.25Å; F296-F316 HydrophobicContact CD1-CD1 4.41Å; F296-F316 AromaticContact CD1-CE1 3.86Å; F296-F316 HydrophobicContact CD1-CE1 3.86Å; F296-F316 HydrophobicContact CD1-CE2 4.27Å; F296-F316 AromaticContact CD1-CZ 3.78Å; F296-F316 HydrophobicContact CD1-CZ 3.78Å; F296-F316 AromaticContact CE1-CD1 3.42Å; F296-F316 HydrophobicContact CE1-CD1 3.42Å; F296-F316 VanDerWaalsContact CE1-CD1 3.42Å; F296-F316 AromaticContact CE1-CD2 3.87Å; F296-F316 HydrophobicContact CE1-CD2 3.87Å; F296-F316 AromaticContact CE1-CE1 3.3Å; F296-F316 HydrophobicContact CE1-CE1 3.3Å; F296-F316 AromaticContact CE1-CE2 3.75Å; F296-F316 HydrophobicContact CE1-CE2 3.75Å; F296-F316 AromaticContact CE1-CG 3.71Å; F296-F316 HydrophobicContact CE1-CG 3.71Å; F296-F316 AromaticContact CE1-CZ 3.47Å; F296-F316 HydrophobicContact CE1-CZ 3.47Å; F296-F316 VanDerWaalsContact CE1-CZ 3.47Å; F296-F316 HydrophobicContact CE2-CD1 4.14Å; F296-F316 HydrophobicContact CE2-CE1 4.1Å; F296-F316 HydrophobicContact CG-CE1 4.46Å; F296-F316 HydrophobicContact CZ-CB 4.41Å; F296-F316 AromaticContact CZ-CD1 3.23Å; F296-F316 HydrophobicContact CZ-CD1 3.23Å; F296-F316 HydrophobicContact CZ-CD2 4.41Å; F296-F316 AromaticContact CZ-CE1 3.43Å; F296-F316 HydrophobicContact CZ-CE1 3.43Å; F296-F316 VanDerWaalsContact CZ-CE1 3.43Å; F296-F316 AromaticContact CZ-CG 3.79Å; F296-F316 HydrophobicContact CZ-CG 3.79Å; F296-F316 HydrophobicContact CZ-CZ 4.1Å; F296-I322 HydrophobicContact CE2-CG2 4.29Å; F296-I322 HydrophobicContact CZ-CG2 4.2Å; F296-V325 HydrophobicContact CD2-CG1 4Å; F296-V325 HydrophobicContact CE2-CG1 3.93Å; F296-S326 VanDerWaalsContact CZ-CB 3.45Å; F296-V329 HydrophobicContact CB-CG1 4.21Å
297M92.1Very high91.3Very high7 Ų735.1 Ų35.13%0.03418%0.184CC..Hα-helixtrans-68.6-33177.5-65.3-101.6-81.200112.2S249 M293 M295 Y301 W309 L312S249-M297 WeakPolarHBondContact O-CE 3.43Å; S249-M297 VanDerWaalsContact OG-CE 3.3Å; S249-M297 WeakPolarHBondContact OG-CE 3.46Å; M293-M297 HydrophobicContact CE-CE 4.26Å; M293-M297 HydrophobicContact CE-CG 3.76Å; M293-M297 HydrophobicContact CE-SD 3.65Å; M293-M297 HydrophobicContact CG-CG 4.28Å; M293-M297 VanDerWaalsContact O-CB 3.31Å; M293-M297 WeakPolarHBondContact O-CB 3.46Å; M293-M297 WeakPolarHBondContact O-CG 3.38Å; M293-M297 PolarHBondContact O-N 3.39Å; M293-M297 HydrophobicContact SD-CG 3.81Å; M293-M297 HydrophobicContact SD-SD 4.47Å; M295-M297 VanDerWaalsContact C-N 3.32Å; M295-M297 PolarHBondContact O-N 2.95Å; M297-Y301 VanDerWaalsContact O-CB 3.29Å; M297-Y301 WeakPolarHBondContact O-CB 3.24Å; M297-Y301 PolarHBondContact O-N 3.18Å; M297-W309 HydrophobicContact CE-CH2 3.64Å; M297-W309 HydrophobicContact CE-CZ2 4.01Å; M297-W309 HydrophobicContact CE-CZ3 4.33Å; M297-W309 HydrophobicContact SD-CH2 3.4Å; M297-W309 WeakPolarHBondContact SD-CH2 3.47Å; M297-W309 HydrophobicContact SD-CZ2 4.3Å; M297-W309 HydrophobicContact SD-CZ3 3.55Å; M297-W309 VanDerWaalsContact SD-CZ3 3.55Å; M297-L312 HydrophobicContact SD-CD1 4.3Å
298W91.6Very high91.2Very high72 Ų7236.5 Ų36.527%0.27319%0.193SC..Hα-helixtrans-65.8-43.2172.6-177.833.9000112.2S194 P195 F294 M295 F296 Y301 S302S194-W298 VanDerWaalsContact CB-CB 3.42Å; S194-W298 WeakPolarHBondContact OG-CB 3.33Å; S194-W298 VanDerWaalsContact OG-CD1 3.31Å; P195-W298 HydrophobicContact CG-CE3 4.47Å; P195-W298 HydrophobicContact CG-CZ3 4.46Å; F294-W298 VanDerWaalsContact O-CB 3.29Å; F294-W298 WeakPolarHBondContact O-CB 3.18Å; F294-W298 PolarHBondContact O-N 3.5Å; M295-W298 HydrophobicContact CE-CE3 3.63Å; M295-W298 HydrophobicContact CE-CZ3 3.65Å; M295-W298 WeakPolarHBondContact O-CB 3.43Å; M295-W298 PolarHBondContact O-N 3Å; M295-W298 HydrophobicContact SD-CE3 3.78Å; M295-W298 HydrophobicContact SD-CZ3 4.26Å; F296-W298 VanDerWaalsContact C-N 3.32Å; F296-W298 PolarHBondContact O-N 3.47Å; W298-Y301 PolarHBondContact O-N 3.49Å; W298-S302 PolarHBondContact O-N 3.02Å
299W91Very high91Very high101 Ų10136.3 Ų36.338%0.38319%0.188SC..Hα-helixtrans-61.1-48.1174.717670.9000111.1M295 F296 Y301 S302 C303 V315 F316 I322M295-W299 PolarHBondContact O-N 3.05Å; F296-W299 HydrophobicContact CD2-CE3 4.38Å; F296-W299 HydrophobicContact CE2-CE3 4.11Å; F296-W299 HydrophobicContact CE2-CZ3 4.18Å; F296-W299 PolarHBondContact O-N 3.37Å; W299-Y301 VanDerWaalsContact C-N 3.34Å; W299-Y301 PolarHBondContact O-N 3.29Å; W299-S302 PolarHBondContact O-N 3.49Å; W299-S302 PolarHBondContact O-OG 3.28Å; W299-C303 PolarHBondContact O-N 2.97Å; W299-C303 PolarHBondContact O-SG 3.2Å; W299-V315 HydrophobicContact CH2-CG1 3.78Å; W299-V315 HydrophobicContact CZ3-CG1 3.85Å; W299-F316 HydrophobicContact CE3-CE1 4.34Å; W299-F316 HydrophobicContact CZ3-CD1 4.28Å; W299-F316 HydrophobicContact CZ3-CE1 4.37Å; W299-I322 HydrophobicContact CH2-CD1 3.52Å; W299-I322 HydrophobicContact CH2-CG1 3.73Å; W299-I322 HydrophobicContact CH2-CG2 3.93Å; W299-I322 HydrophobicContact CZ2-CD1 4.31Å; W299-I322 HydrophobicContact CZ3-CD1 4.39Å; W299-I322 HydrophobicContact CZ3-CG1 4.27Å; W299-I322 HydrophobicContact CZ3-CG2 3.67Å
300G91.8Very high90.6Very high0 Ų042.2 Ų42.20%022%0.218CC..Hα-helixtrans-58.3-42.5174.100000113.4F296 S302 C303 M304 L312F296-G300 PolarHBondContact O-N 3.25Å; G300-S302 VanDerWaalsContact C-N 3.32Å; G300-S302 PolarHBondContact O-N 3.27Å; G300-C303 PolarHBondContact O-N 2.96Å; G300-M304 PolarHBondContact O-N 3.17Å; G300-M304 VanDerWaalsContact O-N 3.15Å; G300-L312 VanDerWaalsContact C-CD2 3.43Å
301Y91.8Very high90.3Very high49 Ų4945.5 Ų45.519%0.19224%0.235CC..Hα-helixtrans-61.8-37.5174.1173.7-95.4000112.3Y114 M297 W298 W299 C303 L305 R307Y114-Y301 PolarHBondContact OH-OH 3.09Å; M297-Y301 VanDerWaalsContact O-CB 3.29Å; M297-Y301 WeakPolarHBondContact O-CB 3.24Å; M297-Y301 PolarHBondContact O-N 3.18Å; W298-Y301 PolarHBondContact O-N 3.49Å; W299-Y301 VanDerWaalsContact C-N 3.34Å; W299-Y301 PolarHBondContact O-N 3.29Å; Y301-C303 PolarHBondContact O-N 2.8Å; Y301-L305 WeakPolarHBondContact O-CA 3.13Å; Y301-L305 PolarHBondContact O-N 3.29Å; Y301-R307 HydrophobicContact CD2-CG 3.73Å; Y301-R307 HydrophobicContact CE2-CG 3.98Å
302S90.1Very high90.2Very high65 Ų6545.5 Ų45.546%0.45524%0.235SC..Hα-helixtrans-66.7-27.2178.672.90000113W298 W299 G300W298-S302 PolarHBondContact O-N 3.02Å; W299-S302 PolarHBondContact O-N 3.49Å; W299-S302 PolarHBondContact O-OG 3.28Å; G300-S302 VanDerWaalsContact C-N 3.32Å; G300-S302 PolarHBondContact O-N 3.27Å
303C91.2Very high89.9Confident67 Ų6744.4 Ų44.445%0.45323%0.226SC..Hα-helixtrans-80.2-43.3176.6-61.80000112.6W299 G300 Y301 V315W299-C303 PolarHBondContact O-N 2.97Å; W299-C303 PolarHBondContact O-SG 3.2Å; G300-C303 PolarHBondContact O-N 2.96Å; Y301-C303 PolarHBondContact O-N 2.8Å; C303-V315 HydrophobicContact CB-CG1 4.35Å; C303-V315 HydrophobicContact CB-CG2 4.04Å
304M89.6Confident89.5Confident75 Ų7547.8 Ų47.837%0.36925%0.246SC..Hα-helixtrans-107.4-9.1-171-57.4-52.4-100.700115.1G300 S306 I311 T314 V315G300-M304 PolarHBondContact O-N 3.17Å; G300-M304 VanDerWaalsContact O-N 3.15Å; M304-S306 PolarHBondContact O-N 3.41Å; M304-I311 HydrophobicContact CB-CG2 3.95Å; M304-I311 HydrophobicContact CE-CG2 4.08Å; M304-I311 HydrophobicContact CG-CG2 4.24Å; M304-T314 WeakPolarHBondContact CE-OG1 3.03Å; M304-V315 HydrophobicContact CE-CG2 4.09Å; M304-V315 HydrophobicContact CG-CB 4.45Å; M304-V315 HydrophobicContact CG-CG2 3.27Å; M304-V315 HydrophobicContact SD-CG2 3.4Å; M304-V315 WeakPolarHBondContact SD-CG2 3.35Å
305L91.3Very high89.2Confident131 Ų13148.4 Ų48.469%0.68625%0.25SS*.SBendtrans53.119.8-174-60.3174.3000114.5Y301Y301-L305 WeakPolarHBondContact O-CA 3.13Å; Y301-L305 PolarHBondContact O-N 3.29Å
306S90.2Very high89Confident22 Ų2247 Ų4715%0.15424%0.244CC..  trans-130.8154.5179.862.30000110.5M304 I311M304-S306 PolarHBondContact O-N 3.41Å; S306-I311 VanDerWaalsContact OG-CB 3.27Å; S306-I311 WeakPolarHBondContact OG-CB 3.39Å; S306-I311 WeakPolarHBondContact OG-CG2 3.4Å
307R87.9Confident88.5Confident30 Ų3046.3 Ų46.311%0.11324%0.241CC..  trans-110.3-12.6-174.6-64.5169.4171.1-164-17.2113.5Y114 A190 S249 Y301 L312Y114-R307 PolarHBondContact OH-NE 2.91Å; Y114-R307 PolarHBondContact OH-NH2 2.93Å; A190-R307 PolarHBondContact O-NH1 3.23Å; A190-R307 PolarHBondContact O-NH2 3.43Å; S249-R307 WeakPolarHBondContact CB-O 3.39Å; S249-R307 PolarHBondContact N-O 3.17Å; S249-R307 PolarHBondContact OG-O 3.36Å; Y301-R307 HydrophobicContact CD2-CG 3.73Å; Y301-R307 HydrophobicContact CE2-CG 3.98Å; R307-L312 WeakPolarHBondContact O-CD1 3.41Å
308S89.8Confident87.8Confident28 Ų2849.3 Ų49.320%0.19626%0.262CS..BIsolated β-bridgetrans-68.4137-178.554.70000110.9L310 I311 L312S308-L310 PolarHBondContact O-N 3.25Å; S308-I311 PolarHBondContact O-N 3.34Å; S308-I311 VanDerWaalsContact O-N 3.1Å; S308-I311 VanDerWaalsContact OG-CD1 3.31Å; S308-I311 WeakPolarHBondContact OG-CD1 3.07Å; S308-I311 VanDerWaalsContact OG-CG1 3.31Å; S308-I311 WeakPolarHBondContact OG-CG1 3.09Å; S308-L312 PolarHBondContact O-N 3.2Å; S308-L312 VanDerWaalsContact O-N 3.07Å
309W87.2Confident87.5Confident25 Ų2549.9 Ų49.910%0.09527%0.274CS..Hα-helixtrans-52.5-40.9177.9-69.6115.5000113.8W252 M293 M297 I311 L312 S313 F316 F330 V378 V382W252-W309 HydrophobicContact CB-CZ2 4.13Å; W252-W309 HydrophobicContact CD2-CH2 4.44Å; W252-W309 AromaticContact CD2-CZ2 3.6Å; W252-W309 HydrophobicContact CD2-CZ2 3.6Å; W252-W309 AromaticContact CE3-CH2 3.87Å; W252-W309 HydrophobicContact CE3-CH2 3.87Å; W252-W309 AromaticContact CE3-CZ2 3.39Å; W252-W309 HydrophobicContact CE3-CZ2 3.39Å; W252-W309 AromaticContact CG-CZ2 3.91Å; W252-W309 HydrophobicContact CG-CZ2 3.91Å; W252-W309 HydrophobicContact CZ3-CH2 4.02Å; W252-W309 AromaticContact CZ3-CZ2 3.99Å; W252-W309 HydrophobicContact CZ3-CZ2 3.99Å; M293-W309 HydrophobicContact CE-CH2 3.62Å; M293-W309 HydrophobicContact CE-CZ3 4.15Å; M297-W309 HydrophobicContact CE-CH2 3.64Å; M297-W309 HydrophobicContact CE-CZ2 4.01Å; M297-W309 HydrophobicContact CE-CZ3 4.33Å; M297-W309 HydrophobicContact SD-CH2 3.4Å; M297-W309 WeakPolarHBondContact SD-CH2 3.47Å; M297-W309 HydrophobicContact SD-CZ2 4.3Å; M297-W309 HydrophobicContact SD-CZ3 3.55Å; M297-W309 VanDerWaalsContact SD-CZ3 3.55Å; W309-I311 VanDerWaalsContact C-N 3.26Å; W309-I311 PolarHBondContact O-N 3.1Å; W309-L312 PolarHBondContact O-N 3Å; W309-S313 VanDerWaalsContact O-CB 3.31Å; W309-S313 WeakPolarHBondContact O-CB 3.42Å; W309-S313 PolarHBondContact O-N 2.71Å; W309-F316 HydrophobicContact CZ3-CE2 4.49Å; W309-F330 HydrophobicContact CH2-CE1 4.08Å; W309-F330 AromaticContact CH2-CZ 3.87Å; W309-F330 HydrophobicContact CH2-CZ 3.87Å; W309-F330 HydrophobicContact CZ3-CE1 4.22Å; W309-F330 AromaticContact CZ3-CZ 3.59Å; W309-F330 HydrophobicContact CZ3-CZ 3.59Å; W309-V378 HydrophobicContact CD2-CG1 3.84Å; W309-V378 HydrophobicContact CE3-CG1 3.96Å; W309-V378 HydrophobicContact CG-CG1 4.46Å; W309-V378 HydrophobicContact CH2-CG1 4.03Å; W309-V378 HydrophobicContact CZ2-CG1 3.93Å; W309-V378 HydrophobicContact CZ3-CG1 4.08Å; W309-V382 HydrophobicContact CE3-CG2 3.85Å; W309-V382 HydrophobicContact CZ3-CG2 4.29Å
310L84.3Confident87.1Confident139 Ų13951.2 Ų51.273%0.72829%0.287SS*.Hα-helixtrans-60.5-31.4-179.2-67.4172.9000113.9S308 S313S308-L310 PolarHBondContact O-N 3.25Å; L310-S313 PolarHBondContact O-OG 3.41Å
311I87.4Confident86.8Confident72 Ų7258.6 Ų58.637%0.36932%0.319SS..Hα-helixtrans-90.2-40.3179-55.2173000109.6M304 S306 S308 W309 S313 T314M304-I311 HydrophobicContact CB-CG2 3.95Å; M304-I311 HydrophobicContact CE-CG2 4.08Å; M304-I311 HydrophobicContact CG-CG2 4.24Å; S306-I311 VanDerWaalsContact OG-CB 3.27Å; S306-I311 WeakPolarHBondContact OG-CB 3.39Å; S306-I311 WeakPolarHBondContact OG-CG2 3.4Å; S308-I311 PolarHBondContact O-N 3.34Å; S308-I311 VanDerWaalsContact O-N 3.1Å; S308-I311 VanDerWaalsContact OG-CD1 3.31Å; S308-I311 WeakPolarHBondContact OG-CD1 3.07Å; S308-I311 VanDerWaalsContact OG-CG1 3.31Å; S308-I311 WeakPolarHBondContact OG-CG1 3.09Å; W309-I311 VanDerWaalsContact C-N 3.26Å; W309-I311 PolarHBondContact O-N 3.1Å; I311-S313 PolarHBondContact O-N 3.01Å; I311-T314 PolarHBondContact O-N 3.37Å; I311-T314 PolarHBondContact O-OG1 3.25Å
312L88.6Confident86.5Confident0 Ų057.5 Ų57.50%032%0.316CS..Hα-helixtrans-60.8-31.9176.7-72.8173.4000112.6S249 M297 G300 R307 S308 W309 T314 V315 F316S249-L312 WeakPolarHBondContact OG-CD1 3.5Å; M297-L312 HydrophobicContact SD-CD1 4.3Å; G300-L312 VanDerWaalsContact C-CD2 3.43Å; R307-L312 WeakPolarHBondContact O-CD1 3.41Å; S308-L312 PolarHBondContact O-N 3.2Å; S308-L312 VanDerWaalsContact O-N 3.07Å; W309-L312 PolarHBondContact O-N 3Å; L312-T314 PolarHBondContact O-N 2.85Å; L312-V315 PolarHBondContact O-N 3.42Å; L312-V315 VanDerWaalsContact O-N 3.08Å; L312-F316 HydrophobicContact CB-CD2 4.21Å; L312-F316 HydrophobicContact CB-CE2 3.8Å; L312-F316 HydrophobicContact CB-CZ 4.3Å; L312-F316 HydrophobicContact CD1-CE2 4.45Å; L312-F316 HydrophobicContact CD2-CZ 4.32Å; L312-F316 WeakPolarHBondContact O-CG 3.44Å; L312-F316 PolarHBondContact O-N 3.31Å; L312-F316 VanDerWaalsContact O-N 3.09Å
313S85.4Confident86.3Confident3 Ų357 Ų572%0.02131%0.307CS..Hα-helixtrans-59.1-32.8179.871.10000113.1W309 L310 I311 V315 F316 C317 V382 S385W309-S313 VanDerWaalsContact O-CB 3.31Å; W309-S313 WeakPolarHBondContact O-CB 3.42Å; W309-S313 PolarHBondContact O-N 2.71Å; L310-S313 PolarHBondContact O-OG 3.41Å; I311-S313 PolarHBondContact O-N 3.01Å; S313-V315 VanDerWaalsContact C-N 3.29Å; S313-V315 PolarHBondContact O-N 3.08Å; S313-F316 PolarHBondContact O-N 3.3Å; S313-C317 VanDerWaalsContact O-CB 3.27Å; S313-C317 WeakPolarHBondContact O-CB 3.39Å; S313-C317 PolarHBondContact O-N 3.41Å; S313-C317 PolarHBondContact O-SG 2.73Å; S313-V382 WeakPolarHBondContact CB-O 3.46Å; S313-S385 WeakPolarHBondContact CB-OG 3.31Å; S313-S385 WeakPolarHBondContact OG-CB 3.45Å; S313-S385 PolarHBondContact OG-OG 3.02Å
314T84Confident86Confident70 Ų7057.2 Ų57.243%0.42931%0.306SS..Hα-helixtrans-63.1-33.9177.165.90000112.7M304 I311 L312M304-T314 WeakPolarHBondContact CE-OG1 3.03Å; I311-T314 PolarHBondContact O-N 3.37Å; I311-T314 PolarHBondContact O-OG1 3.25Å; L312-T314 PolarHBondContact O-N 2.85Å
315V86.8Confident86Confident16 Ų1655.7 Ų55.710%0.09730%0.301CS..Hα-helixtrans-81.2-45176.7174.40000111W299 C303 M304 L312 S313 C317 S318W299-V315 HydrophobicContact CH2-CG1 3.78Å; W299-V315 HydrophobicContact CZ3-CG1 3.85Å; C303-V315 HydrophobicContact CB-CG1 4.35Å; C303-V315 HydrophobicContact CB-CG2 4.04Å; M304-V315 HydrophobicContact CE-CG2 4.09Å; M304-V315 HydrophobicContact CG-CB 4.45Å; M304-V315 HydrophobicContact CG-CG2 3.27Å; M304-V315 HydrophobicContact SD-CG2 3.4Å; M304-V315 WeakPolarHBondContact SD-CG2 3.35Å; L312-V315 PolarHBondContact O-N 3.42Å; L312-V315 VanDerWaalsContact O-N 3.08Å; S313-V315 VanDerWaalsContact C-N 3.29Å; S313-V315 PolarHBondContact O-N 3.08Å; V315-C317 PolarHBondContact O-N 2.84Å; V315-S318 WeakPolarHBondContact O-CB 3.46Å; V315-S318 PolarHBondContact O-N 3.49Å; V315-S318 VanDerWaalsContact O-N 3.11Å; V315-S318 PolarHBondContact O-OG 3.25Å
316F86.3Confident85.8Confident0 Ų049.5 Ų49.50%027%0.268CS..Hα-helixtrans-65.2-25.4-177.4-62-24.9000112.9F296 W299 W309 L312 S313 I322 Q323 V382F296-F316 HydrophobicContact CD1-CD1 4.41Å; F296-F316 AromaticContact CD1-CE1 3.86Å; F296-F316 HydrophobicContact CD1-CE1 3.86Å; F296-F316 HydrophobicContact CD1-CE2 4.27Å; F296-F316 AromaticContact CD1-CZ 3.78Å; F296-F316 HydrophobicContact CD1-CZ 3.78Å; F296-F316 AromaticContact CE1-CD1 3.42Å; F296-F316 HydrophobicContact CE1-CD1 3.42Å; F296-F316 VanDerWaalsContact CE1-CD1 3.42Å; F296-F316 AromaticContact CE1-CD2 3.87Å; F296-F316 HydrophobicContact CE1-CD2 3.87Å; F296-F316 AromaticContact CE1-CE1 3.3Å; F296-F316 HydrophobicContact CE1-CE1 3.3Å; F296-F316 AromaticContact CE1-CE2 3.75Å; F296-F316 HydrophobicContact CE1-CE2 3.75Å; F296-F316 AromaticContact CE1-CG 3.71Å; F296-F316 HydrophobicContact CE1-CG 3.71Å; F296-F316 AromaticContact CE1-CZ 3.47Å; F296-F316 HydrophobicContact CE1-CZ 3.47Å; F296-F316 VanDerWaalsContact CE1-CZ 3.47Å; F296-F316 HydrophobicContact CE2-CD1 4.14Å; F296-F316 HydrophobicContact CE2-CE1 4.1Å; F296-F316 HydrophobicContact CG-CE1 4.46Å; F296-F316 HydrophobicContact CZ-CB 4.41Å; F296-F316 AromaticContact CZ-CD1 3.23Å; F296-F316 HydrophobicContact CZ-CD1 3.23Å; F296-F316 HydrophobicContact CZ-CD2 4.41Å; F296-F316 AromaticContact CZ-CE1 3.43Å; F296-F316 HydrophobicContact CZ-CE1 3.43Å; F296-F316 VanDerWaalsContact CZ-CE1 3.43Å; F296-F316 AromaticContact CZ-CG 3.79Å; F296-F316 HydrophobicContact CZ-CG 3.79Å; F296-F316 HydrophobicContact CZ-CZ 4.1Å; W299-F316 HydrophobicContact CE3-CE1 4.34Å; W299-F316 HydrophobicContact CZ3-CD1 4.28Å; W299-F316 HydrophobicContact CZ3-CE1 4.37Å; W309-F316 HydrophobicContact CZ3-CE2 4.49Å; L312-F316 HydrophobicContact CB-CD2 4.21Å; L312-F316 HydrophobicContact CB-CE2 3.8Å; L312-F316 HydrophobicContact CB-CZ 4.3Å; L312-F316 HydrophobicContact CD1-CE2 4.45Å; L312-F316 HydrophobicContact CD2-CZ 4.32Å; L312-F316 WeakPolarHBondContact O-CG 3.44Å; L312-F316 PolarHBondContact O-N 3.31Å; L312-F316 VanDerWaalsContact O-N 3.09Å; S313-F316 PolarHBondContact O-N 3.3Å; F316-I322 HydrophobicContact CD1-CG2 4.45Å; F316-Q323 WeakPolarHBondContact O-CG 3.17Å; F316-V382 HydrophobicContact CB-CG1 3.67Å; F316-V382 HydrophobicContact CD2-CG1 3.78Å; F316-V382 HydrophobicContact CG-CG1 4.24Å
317C80.6Confident85.7Confident1 Ų150.2 Ų50.21%0.00727%0.272CS..THydrogen-bonded Turntrans-89.9-6.6176.9-63.30000114.7S313 V315 V319 Q323 V382 M383 L386S313-C317 VanDerWaalsContact O-CB 3.27Å; S313-C317 WeakPolarHBondContact O-CB 3.39Å; S313-C317 PolarHBondContact O-N 3.41Å; S313-C317 PolarHBondContact O-SG 2.73Å; V315-C317 PolarHBondContact O-N 2.84Å; C317-V319 PolarHBondContact O-N 3.4Å; C317-Q323 PolarHBondContact O-NE2 2.97Å; C317-V382 PolarHBondContact SG-O 2.9Å; C317-M383 VanDerWaalsContact SG-CA 3.54Å; C317-L386 HydrophobicContact CB-CD1 3.51Å; C317-L386 HydrophobicContact CB-CD2 4.47Å; C317-L386 HydrophobicContact CB-CG 3.68Å; C317-L386 WeakPolarHBondContact O-CD1 3.42Å
318S77.9Confident85.7Confident70 Ų7054.6 Ų54.649%0.4930%0.295SS..SBendtrans-63.5-43.8-167.659.30000114.6V315 I322V315-S318 WeakPolarHBondContact O-CB 3.46Å; V315-S318 PolarHBondContact O-N 3.49Å; V315-S318 VanDerWaalsContact O-N 3.11Å; V315-S318 PolarHBondContact O-OG 3.25Å; S318-I322 VanDerWaalsContact OG-CD1 3.3Å; S318-I322 WeakPolarHBondContact OG-CD1 3.43Å
319V84Confident85.8Confident84 Ų8454.2 Ų54.251%0.50929%0.291SS..SBendtrans-134.1143.2-175.9-1720000110C317 F321 I322 Q323C317-V319 PolarHBondContact O-N 3.4Å; V319-F321 PolarHBondContact O-N 3.15Å; V319-F321 VanDerWaalsContact O-N 3.17Å; V319-I322 HydrophobicContact CB-CD1 3.97Å; V319-I322 HydrophobicContact CB-CG1 4.44Å; V319-I322 HydrophobicContact CG2-CD1 4.09Å; V319-I322 WeakPolarHBondContact O-CB 3.5Å; V319-I322 PolarHBondContact O-N 2.97Å; V319-Q323 PolarHBondContact O-N 2.96Å
320I83.4Confident85.9Confident129 Ų12953 Ų5366%0.66229%0.287SS*.Hα-helixtrans-51.4-40.8179-70.4155000112.4I322 Q323 V324I320-I322 VanDerWaalsContact C-N 3.34Å; I320-I322 PolarHBondContact O-N 3.28Å; I320-Q323 WeakPolarHBondContact O-CB 3.39Å; I320-Q323 PolarHBondContact O-N 3.23Å; I320-V324 HydrophobicContact CG2-CG2 4.38Å; I320-V324 WeakPolarHBondContact O-CG2 3.47Å; I320-V324 PolarHBondContact O-N 3.46Å
321F84.8Confident86.1Confident155 Ų15548 Ų4868%0.6826%0.26SS*.Hα-helixtrans-60.2-44177.5-179.4-99.8000112.2V319 Q323 V324 V325V319-F321 PolarHBondContact O-N 3.15Å; V319-F321 VanDerWaalsContact O-N 3.17Å; F321-Q323 VanDerWaalsContact C-N 3.34Å; F321-V324 PolarHBondContact O-N 3.38Å; F321-V325 HydrophobicContact CD1-CG2 4.35Å; F321-V325 HydrophobicContact CE1-CG2 3.94Å; F321-V325 HydrophobicContact CE2-CG2 4.46Å; F321-V325 HydrophobicContact CZ-CG2 4Å; F321-V325 WeakPolarHBondContact O-CG2 3.41Å; F321-V325 PolarHBondContact O-N 2.98Å
322I86.8Confident86.2Confident25 Ų2545.2 Ų45.213%0.12825%0.249CC..Hα-helixtrans-67.1-38.9177.6-61.9158.5000110.2F296 W299 F316 S318 V319 I320 V325 S326F296-I322 HydrophobicContact CE2-CG2 4.29Å; F296-I322 HydrophobicContact CZ-CG2 4.2Å; W299-I322 HydrophobicContact CH2-CD1 3.52Å; W299-I322 HydrophobicContact CH2-CG1 3.73Å; W299-I322 HydrophobicContact CH2-CG2 3.93Å; W299-I322 HydrophobicContact CZ2-CD1 4.31Å; W299-I322 HydrophobicContact CZ3-CD1 4.39Å; W299-I322 HydrophobicContact CZ3-CG1 4.27Å; W299-I322 HydrophobicContact CZ3-CG2 3.67Å; F316-I322 HydrophobicContact CD1-CG2 4.45Å; S318-I322 VanDerWaalsContact OG-CD1 3.3Å; S318-I322 WeakPolarHBondContact OG-CD1 3.43Å; V319-I322 HydrophobicContact CB-CD1 3.97Å; V319-I322 HydrophobicContact CB-CG1 4.44Å; V319-I322 HydrophobicContact CG2-CD1 4.09Å; V319-I322 WeakPolarHBondContact O-CB 3.5Å; V319-I322 PolarHBondContact O-N 2.97Å; I320-I322 VanDerWaalsContact C-N 3.34Å; I320-I322 PolarHBondContact O-N 3.28Å; I322-V325 PolarHBondContact O-N 3.39Å; I322-S326 WeakPolarHBondContact O-CB 3.35Å; I322-S326 PolarHBondContact O-N 3.39Å; I322-S326 PolarHBondContact O-OG 3.04Å
323Q85.3Confident86.3Confident56 Ų5645.3 Ų45.326%0.26225%0.25SC..Hα-helixtrans-60.3-47.7175.1-66.5174.3-4.500111F316 C317 V319 I320 F321 V325 S326 V327 M383F316-Q323 WeakPolarHBondContact O-CG 3.17Å; C317-Q323 PolarHBondContact O-NE2 2.97Å; V319-Q323 PolarHBondContact O-N 2.96Å; I320-Q323 WeakPolarHBondContact O-CB 3.39Å; I320-Q323 PolarHBondContact O-N 3.23Å; F321-Q323 VanDerWaalsContact C-N 3.34Å; Q323-V325 PolarHBondContact O-N 3.33Å; Q323-S326 WeakPolarHBondContact CA-OG 3.37Å; Q323-S326 PolarHBondContact O-N 2.98Å; Q323-S326 PolarHBondContact O-OG 3.46Å; Q323-V327 VanDerWaalsContact O-CG2 3.31Å; Q323-V327 WeakPolarHBondContact O-CG2 2.98Å; Q323-V327 PolarHBondContact O-N 3.44Å; Q323-M383 HydrophobicContact CB-SD 4.27Å; Q323-M383 HydrophobicContact CG-CE 4.45Å; Q323-M383 HydrophobicContact CG-SD 4.07Å
324V85.5Confident86.4Confident70 Ų7045.2 Ų45.242%0.42425%0.249SC..Hα-helixtrans-59.6-46176.7172.90000111.1I320 F321 S326 V327 M328I320-V324 HydrophobicContact CG2-CG2 4.38Å; I320-V324 WeakPolarHBondContact O-CG2 3.47Å; I320-V324 PolarHBondContact O-N 3.46Å; F321-V324 PolarHBondContact O-N 3.38Å; V324-S326 VanDerWaalsContact C-N 3.33Å; V324-S326 PolarHBondContact O-N 3.41Å; V324-V327 PolarHBondContact O-N 3.27Å; V324-M328 HydrophobicContact CG1-CE 3.76Å; V324-M328 HydrophobicContact CG1-SD 4.38Å; V324-M328 WeakPolarHBondContact O-CG 3.27Å; V324-M328 PolarHBondContact O-N 2.94Å
325V88.9Confident86.6Confident44 Ų4441.9 Ų41.927%0.26723%0.229SC..Hα-helixtrans-60.8-43.5176.2172.60000111F296 F321 I322 Q323 M328 V329F296-V325 HydrophobicContact CD2-CG1 4Å; F296-V325 HydrophobicContact CE2-CG1 3.93Å; F321-V325 HydrophobicContact CD1-CG2 4.35Å; F321-V325 HydrophobicContact CE1-CG2 3.94Å; F321-V325 HydrophobicContact CE2-CG2 4.46Å; F321-V325 HydrophobicContact CZ-CG2 4Å; F321-V325 WeakPolarHBondContact O-CG2 3.41Å; F321-V325 PolarHBondContact O-N 2.98Å; I322-V325 PolarHBondContact O-N 3.39Å; Q323-V325 PolarHBondContact O-N 3.33Å; V325-M328 PolarHBondContact O-N 3.41Å; V325-V329 HydrophobicContact CG1-CG2 4.29Å; V325-V329 VanDerWaalsContact O-CG2 3.28Å; V325-V329 WeakPolarHBondContact O-CG2 3.5Å; V325-V329 PolarHBondContact O-N 3.47Å
326S87.1Confident86.5Confident0 Ų041.8 Ų41.80%023%0.227CC..Hα-helixtrans-61.4-47.3178.475.90000111.1F296 I322 Q323 V324 M328 V329 F330 M383F296-S326 VanDerWaalsContact CZ-CB 3.45Å; I322-S326 WeakPolarHBondContact O-CB 3.35Å; I322-S326 PolarHBondContact O-N 3.39Å; I322-S326 PolarHBondContact O-OG 3.04Å; Q323-S326 WeakPolarHBondContact CA-OG 3.37Å; Q323-S326 PolarHBondContact O-N 2.98Å; Q323-S326 PolarHBondContact O-OG 3.46Å; V324-S326 VanDerWaalsContact C-N 3.33Å; V324-S326 PolarHBondContact O-N 3.41Å; S326-M328 VanDerWaalsContact C-N 3.32Å; S326-M328 PolarHBondContact O-N 3.28Å; S326-V329 PolarHBondContact O-N 3.41Å; S326-V329 VanDerWaalsContact O-N 3.16Å; S326-F330 WeakPolarHBondContact O-CB 3.43Å; S326-F330 WeakPolarHBondContact O-CD2 3.21Å; S326-F330 PolarHBondContact O-N 2.94Å; S326-M383 WeakPolarHBondContact OG-CE 3.4Å
327V88Confident86.3Confident38 Ų3842.8 Ų42.823%0.2323%0.234CC..Hα-helixtrans-58.4-44.9178173.70000110.3Q323 V324 V329 F330 M331 L379Q323-V327 VanDerWaalsContact O-CG2 3.31Å; Q323-V327 WeakPolarHBondContact O-CG2 2.98Å; Q323-V327 PolarHBondContact O-N 3.44Å; V324-V327 PolarHBondContact O-N 3.27Å; V327-V329 PolarHBondContact O-N 3.34Å; V327-F330 PolarHBondContact O-N 3.02Å; V327-M331 HydrophobicContact CG1-CE 3.9Å; V327-M331 HydrophobicContact CG1-CG 4.37Å; V327-M331 HydrophobicContact CG1-SD 4.16Å; V327-M331 WeakPolarHBondContact O-CB 3.41Å; V327-M331 VanDerWaalsContact O-CG 3.26Å; V327-M331 WeakPolarHBondContact O-CG 3.25Å; V327-M331 PolarHBondContact O-N 3.12Å; V327-L379 HydrophobicContact CG1-CD2 4.43Å; V327-L379 HydrophobicContact CG2-CD1 4.06Å; V327-L379 HydrophobicContact CG2-CD2 4.24Å
328M88.2Confident86.4Confident121 Ų12148.3 Ų48.360%0.59627%0.269SS*.Hα-helixtrans-60.5-44.6176.6-71.3-179.1178.500112.8V324 V325 S326 G332V324-M328 HydrophobicContact CG1-CE 3.76Å; V324-M328 HydrophobicContact CG1-SD 4.38Å; V324-M328 WeakPolarHBondContact O-CG 3.27Å; V324-M328 PolarHBondContact O-N 2.94Å; V325-M328 PolarHBondContact O-N 3.41Å; S326-M328 VanDerWaalsContact C-N 3.32Å; S326-M328 PolarHBondContact O-N 3.28Å; M328-G332 PolarHBondContact O-N 3.22Å
329V91.3Very high86.9Confident21 Ų2146.2 Ų46.213%0.12725%0.253CS..Hα-helixtrans-70.5-40-178.5175.70000111.3M293 F296 V325 S326 V327 G332 A333M293-V329 HydrophobicContact CB-CG1 3.62Å; M293-V329 HydrophobicContact CG-CG1 4.04Å; M293-V329 HydrophobicContact SD-CG1 3.39Å; M293-V329 WeakPolarHBondContact SD-CG1 3.29Å; F296-V329 HydrophobicContact CB-CG1 4.21Å; V325-V329 HydrophobicContact CG1-CG2 4.29Å; V325-V329 VanDerWaalsContact O-CG2 3.28Å; V325-V329 WeakPolarHBondContact O-CG2 3.5Å; V325-V329 PolarHBondContact O-N 3.47Å; S326-V329 PolarHBondContact O-N 3.41Å; S326-V329 VanDerWaalsContact O-N 3.16Å; V327-V329 PolarHBondContact O-N 3.34Å; V329-G332 PolarHBondContact O-N 3.46Å; V329-A333 WeakPolarHBondContact O-CB 3.45Å; V329-A333 PolarHBondContact O-N 3.49Å
330F90Very high87.1Confident0 Ų046.4 Ų46.40%025%0.251CS..Hα-helixtrans-66.6-44.2175.8-86.3-81.3000112W252 M293 W309 S326 V327 G332 A333 S334 V378 L379 V382W252-F330 HydrophobicContact CH2-CD1 4.24Å; W252-F330 HydrophobicContact CH2-CE1 4.02Å; W252-F330 HydrophobicContact CZ3-CE1 4.39Å; M293-F330 HydrophobicContact CE-CD1 4.17Å; M293-F330 HydrophobicContact CE-CD2 4.43Å; M293-F330 HydrophobicContact CE-CE1 3.6Å; M293-F330 HydrophobicContact CE-CE2 3.9Å; M293-F330 HydrophobicContact CE-CZ 3.47Å; M293-F330 VanDerWaalsContact CE-CZ 3.47Å; W309-F330 HydrophobicContact CH2-CE1 4.08Å; W309-F330 AromaticContact CH2-CZ 3.87Å; W309-F330 HydrophobicContact CH2-CZ 3.87Å; W309-F330 HydrophobicContact CZ3-CE1 4.22Å; W309-F330 AromaticContact CZ3-CZ 3.59Å; W309-F330 HydrophobicContact CZ3-CZ 3.59Å; S326-F330 WeakPolarHBondContact O-CB 3.43Å; S326-F330 WeakPolarHBondContact O-CD2 3.21Å; S326-F330 PolarHBondContact O-N 2.94Å; V327-F330 PolarHBondContact O-N 3.02Å; F330-G332 VanDerWaalsContact C-N 3.26Å; F330-G332 PolarHBondContact O-N 3.41Å; F330-A333 PolarHBondContact O-N 3.02Å; F330-A333 VanDerWaalsContact O-N 3.14Å; F330-S334 WeakPolarHBondContact O-CB 3.15Å; F330-S334 PolarHBondContact O-N 2.99Å; F330-S334 PolarHBondContact O-OG 2.91Å; F330-V378 HydrophobicContact CE1-CB 4.2Å; F330-V378 HydrophobicContact CE1-CG1 3.74Å; F330-V378 HydrophobicContact CZ-CG1 4.15Å; F330-L379 HydrophobicContact CB-CB 4.17Å; F330-L379 HydrophobicContact CB-CD1 4.05Å; F330-L379 HydrophobicContact CB-CD2 4.27Å; F330-L379 HydrophobicContact CB-CG 4.39Å; F330-L379 HydrophobicContact CD1-CB 4.21Å; F330-L379 HydrophobicContact CD2-CB 4.48Å; F330-L379 HydrophobicContact CD2-CD1 3.67Å; F330-L379 HydrophobicContact CE2-CD1 4.32Å; F330-L379 HydrophobicContact CG-CB 4.05Å; F330-L379 HydrophobicContact CG-CD1 3.96Å; F330-V382 HydrophobicContact CZ-CG2 4.16Å
331M88.1Confident87.4Confident34 Ų3440.4 Ų40.417%0.16722%0.22CC..Hα-helixtrans-60.1-38.8173.1-73.2-170.7-54.300111.7V327 S334 S335 F336 F407V327-M331 HydrophobicContact CG1-CE 3.9Å; V327-M331 HydrophobicContact CG1-CG 4.37Å; V327-M331 HydrophobicContact CG1-SD 4.16Å; V327-M331 WeakPolarHBondContact O-CB 3.41Å; V327-M331 VanDerWaalsContact O-CG 3.26Å; V327-M331 WeakPolarHBondContact O-CG 3.25Å; V327-M331 PolarHBondContact O-N 3.12Å; M331-S334 PolarHBondContact O-N 2.98Å; M331-S335 PolarHBondContact O-N 3Å; M331-F336 HydrophobicContact CB-CB 4.14Å; M331-F336 HydrophobicContact CG-CB 4.35Å; M331-F336 HydrophobicContact CG-CD1 4.4Å; M331-F336 PolarHBondContact O-N 3.37Å; M331-F336 VanDerWaalsContact O-N 3.16Å; M331-F336 HydrophobicContact SD-CD1 4.09Å; M331-F407 HydrophobicContact SD-CE1 3.87Å
332G89.9Confident87.6Confident12 Ų1234.2 Ų34.212%0.12419%0.193CC..Hα-helixtrans-61.4-41173.500000113.6S289 M328 V329 F330 Q341S289-G332 WeakPolarHBondContact CB-O 3.45Å; S289-G332 PolarHBondContact OG-O 2.91Å; M328-G332 PolarHBondContact O-N 3.22Å; V329-G332 PolarHBondContact O-N 3.46Å; F330-G332 VanDerWaalsContact C-N 3.26Å; F330-G332 PolarHBondContact O-N 3.41Å; G332-Q341 PolarHBondContact O-NE2 2.98Å; G332-Q341 PolarHBondContact O-OE1 2.93Å
333A91.1Very high87.7Confident3 Ų338.2 Ų38.23%0.02521%0.21CC..Hα-helixtrans-78.1-23.6178.900000113.1H260 V329 F330H260-A333 PolarHBondContact NE2-O 3.21Å; V329-A333 WeakPolarHBondContact O-CB 3.45Å; V329-A333 PolarHBondContact O-N 3.49Å; F330-A333 PolarHBondContact O-N 3.02Å; F330-A333 VanDerWaalsContact O-N 3.14Å
334S86.9Confident87.8Confident0 Ų035.7 Ų35.70%020%0.198CC..THydrogen-bonded Turntrans-102.623.9-177.478.70000113.5F330 M331 F336 S372F330-S334 WeakPolarHBondContact O-CB 3.15Å; F330-S334 PolarHBondContact O-N 2.99Å; F330-S334 PolarHBondContact O-OG 2.91Å; M331-S334 PolarHBondContact O-N 2.98Å; S334-F336 PolarHBondContact O-N 3.32Å; S334-S372 VanDerWaalsContact O-CA 3.31Å; S334-S372 WeakPolarHBondContact O-CA 3.41Å; S334-S372 WeakPolarHBondContact O-CB 3.06Å
335S88.3Confident87.9Confident1 Ų132.5 Ų32.51%0.00718%0.179CC..THydrogen-bonded Turntrans44.336.4178.656.70000115.4M331 F342 E345M331-S335 PolarHBondContact O-N 3Å; S335-F342 VanDerWaalsContact O-CB 3.28Å; S335-F342 WeakPolarHBondContact O-CB 3.32Å; S335-F342 WeakPolarHBondContact O-CD2 3.18Å; S335-E345 WeakPolarHBondContact CB-OE1 3.49Å; S335-E345 WeakPolarHBondContact CB-OE2 3.27Å; S335-E345 VanDerWaalsContact OG-CD 3.27Å; S335-E345 PolarHBondContact OG-OE1 2.89Å; S335-E345 PolarHBondContact OG-OE2 2.68Å
336F84.9Confident87.9Confident13 Ų1332.4 Ų32.46%0.05718%0.178CC..  trans-78.2148.7-177.6-157.7-104.8000111.1M331 S334 T339 L376 F407 M408M331-F336 HydrophobicContact CB-CB 4.14Å; M331-F336 HydrophobicContact CG-CB 4.35Å; M331-F336 HydrophobicContact CG-CD1 4.4Å; M331-F336 PolarHBondContact O-N 3.37Å; M331-F336 VanDerWaalsContact O-N 3.16Å; M331-F336 HydrophobicContact SD-CD1 4.09Å; S334-F336 PolarHBondContact O-N 3.32Å; F336-T339 VanDerWaalsContact O-CB 3.28Å; F336-T339 WeakPolarHBondContact O-CB 3.29Å; F336-T339 WeakPolarHBondContact O-CG2 3.37Å; F336-T339 PolarHBondContact O-N 3.35Å; F336-T339 PolarHBondContact O-OG1 3.42Å; F336-L376 HydrophobicContact CD2-CD1 4.03Å; F336-L376 HydrophobicContact CE2-CD1 3.95Å; F336-F407 HydrophobicContact CE1-CD1 4.16Å; F336-F407 HydrophobicContact CE1-CE1 4.43Å; F336-F407 HydrophobicContact CZ-CD1 4.28Å; F336-F407 WeakPolarHBondContact CZ-O 3.24Å; F336-M408 HydrophobicContact CE2-CG 4.32Å
337P81.7Confident87.9Confident22 Ų2232.9 Ų32.914%0.14318%0.184CC..THydrogen-bonded Turntrans-59.7130.6169.525.4-34.8000108.8F342P337-F342 HydrophobicContact CB-CD1 4.15Å; P337-F342 HydrophobicContact CB-CE1 4.31Å; P337-F342 HydrophobicContact CB-CG 4.34Å
338P83.1Confident87.9Confident116 Ų11631.2 Ų31.275%0.75317%0.174SC*.THydrogen-bonded Turncis-103.835.320.740.8-38.2000115.6
339T87.1Confident87.8Confident26 Ų2626.2 Ų26.216%0.1615%0.152CC..SBendtrans-81.1152.6-176.266.10000113.1F336 Q341 F342 F343F336-T339 VanDerWaalsContact O-CB 3.28Å; F336-T339 WeakPolarHBondContact O-CB 3.29Å; F336-T339 WeakPolarHBondContact O-CG2 3.37Å; F336-T339 PolarHBondContact O-N 3.35Å; F336-T339 PolarHBondContact O-OG1 3.42Å; T339-Q341 PolarHBondContact O-N 3.45Å; T339-F342 WeakPolarHBondContact O-CB 3.29Å; T339-F342 PolarHBondContact O-N 2.98Å; T339-F343 WeakPolarHBondContact O-CD2 3.41Å
340L88.2Confident87.6Confident88 Ų8828.6 Ų28.646%0.46117%0.166SC..Hα-helixtrans-60.3-30.1175.9-70.8173.4000113.3Y284 G344Y284-L340 HydrophobicContact CD1-CD1 3.93Å; Y284-L340 HydrophobicContact CE1-CD1 4.19Å; L340-G344 PolarHBondContact O-N 3.17Å
341Q91.1Very high87.3Confident3 Ų330 Ų301%0.01417%0.173CC..Hα-helixtrans-66.8-39.6179.9-71.7161.540.200111.9Y282 G285 H286 S289 G332 T339 F343 G344 E345Y282-Q341 HydrophobicContact CD2-CB 4.08Å; Y282-Q341 HydrophobicContact CD2-CG 4.31Å; Y282-Q341 VanDerWaalsContact CD2-O 3.31Å; Y282-Q341 WeakPolarHBondContact CD2-O 3.49Å; Y282-Q341 HydrophobicContact CE2-CB 3.73Å; Y282-Q341 HydrophobicContact CE2-CG 4.05Å; Y282-Q341 VanDerWaalsContact CE2-O 3.31Å; Y282-Q341 WeakPolarHBondContact CE2-O 3.27Å; G285-Q341 PolarHBondContact O-NE2 3.42Å; G285-Q341 VanDerWaalsContact O-NE2 3.13Å; H286-Q341 HydrophobicContact CB-CG 4.18Å; S289-Q341 PolarHBondContact OG-NE2 3.25Å; G332-Q341 PolarHBondContact O-NE2 2.98Å; G332-Q341 PolarHBondContact O-OE1 2.93Å; T339-Q341 PolarHBondContact O-N 3.45Å; Q341-F343 VanDerWaalsContact C-N 3.3Å; Q341-F343 PolarHBondContact O-N 3.43Å; Q341-G344 PolarHBondContact O-N 3.22Å; Q341-E345 PolarHBondContact O-N 3.35Å
342F89.3Confident87.2Confident26 Ų2628.5 Ų28.511%0.11417%0.165CC..Hα-helixtrans-54.6-47.8178.7-178.1-103.2000111.5S335 P337 T339 G344 E345 V346 F415S335-F342 VanDerWaalsContact O-CB 3.28Å; S335-F342 WeakPolarHBondContact O-CB 3.32Å; S335-F342 WeakPolarHBondContact O-CD2 3.18Å; P337-F342 HydrophobicContact CB-CD1 4.15Å; P337-F342 HydrophobicContact CB-CE1 4.31Å; P337-F342 HydrophobicContact CB-CG 4.34Å; T339-F342 WeakPolarHBondContact O-CB 3.29Å; T339-F342 PolarHBondContact O-N 2.98Å; F342-G344 VanDerWaalsContact C-N 3.27Å; F342-G344 PolarHBondContact O-N 3.48Å; F342-E345 PolarHBondContact O-N 3.44Å; F342-V346 HydrophobicContact CD1-CG2 4.16Å; F342-V346 HydrophobicContact CE1-CG2 3.67Å; F342-V346 HydrophobicContact CE2-CG2 4.17Å; F342-V346 HydrophobicContact CZ-CG2 3.69Å; F342-V346 WeakPolarHBondContact O-CG2 3.33Å; F342-V346 PolarHBondContact O-N 2.95Å; F342-F415 HydrophobicContact CD1-CD2 4.36Å; F342-F415 HydrophobicContact CD1-CE2 4.29Å; F342-F415 HydrophobicContact CE1-CD1 4.3Å; F342-F415 AromaticContact CE1-CD2 3.54Å; F342-F415 HydrophobicContact CE1-CD2 3.54Å; F342-F415 HydrophobicContact CE1-CE1 4.22Å; F342-F415 AromaticContact CE1-CE2 3.48Å; F342-F415 HydrophobicContact CE1-CE2 3.48Å; F342-F415 VanDerWaalsContact CE1-CE2 3.48Å; F342-F415 AromaticContact CE1-CG 3.97Å; F342-F415 HydrophobicContact CE1-CG 3.97Å; F342-F415 AromaticContact CE1-CZ 3.82Å; F342-F415 HydrophobicContact CE1-CZ 3.82Å; F342-F415 HydrophobicContact CZ-CD1 4.35Å; F342-F415 HydrophobicContact CZ-CD2 4.31Å; F342-F415 HydrophobicContact CZ-CE1 4.4Å; F342-F415 HydrophobicContact CZ-CE2 4.39Å; F342-F415 HydrophobicContact CZ-CG 4.3Å; F342-F415 HydrophobicContact CZ-CZ 4.41Å
343F87.1Confident87.1Confident109 Ų10933.2 Ų33.248%0.47819%0.187SC..Hα-helixtrans-62.4-33.3178.2-66.4-71.3000113T339 Q341 G347 F415T339-F343 WeakPolarHBondContact O-CD2 3.41Å; Q341-F343 VanDerWaalsContact C-N 3.3Å; Q341-F343 PolarHBondContact O-N 3.43Å; F343-G347 PolarHBondContact O-N 2.97Å; F343-F415 HydrophobicContact CE1-CE2 4.18Å
344G87.8Confident86.8Confident2 Ų238.2 Ų38.22%0.02121%0.213CC..Hα-helixtrans-71.7-37.8174.400000113.3L340 Q341 F342 G347 V348L340-G344 PolarHBondContact O-N 3.17Å; Q341-G344 PolarHBondContact O-N 3.22Å; F342-G344 VanDerWaalsContact C-N 3.27Å; F342-G344 PolarHBondContact O-N 3.48Å; G344-G347 CarbonylContact O-C 3.42Å; G344-G347 WeakPolarHBondContact O-CA 2.98Å; G344-G347 PolarHBondContact O-N 3.16Å; G344-V348 PolarHBondContact O-N 2.94Å
345E88.5Confident86.7Confident3 Ų340.1 Ų40.11%0.01423%0.226CC..Hα-helixtrans-69.3-38.7175.5-79.3165.4-161.100112.1H260 V263 Y282 S335 Q341 F342 G347 V348 A349 L368H260-E345 IonicContact CE1-OE1 3.47Å; H260-E345 PolarHBondContact CE1-OE1 3.22Å; H260-E345 IonicContact ND1-OE1 3.04Å; H260-E345 PolarHBondContact ND1-OE1 3.45Å; V263-E345 HydrophobicContact CG1-CG 3.77Å; V263-E345 HydrophobicContact CG2-CG 4.44Å; Y282-E345 HydrophobicContact CE2-CG 3.74Å; Y282-E345 PolarHBondContact OH-OE1 3.39Å; S335-E345 WeakPolarHBondContact CB-OE1 3.49Å; S335-E345 WeakPolarHBondContact CB-OE2 3.27Å; S335-E345 VanDerWaalsContact OG-CD 3.27Å; S335-E345 PolarHBondContact OG-OE1 2.89Å; S335-E345 PolarHBondContact OG-OE2 2.68Å; Q341-E345 PolarHBondContact O-N 3.35Å; F342-E345 PolarHBondContact O-N 3.44Å; E345-G347 VanDerWaalsContact C-N 3.25Å; E345-G347 PolarHBondContact O-N 3.39Å; E345-V348 WeakPolarHBondContact O-CB 3.37Å; E345-V348 PolarHBondContact O-N 3.46Å; E345-A349 PolarHBondContact O-N 3.4Å; E345-L368 HydrophobicContact CB-CD2 3.58Å; E345-L368 HydrophobicContact CB-CG 4.36Å
346V87.8Confident86.4Confident42 Ų4248.1 Ų48.126%0.25526%0.263SS..Hα-helixtrans-61.4-39.9169.1174.70000109.9F342 V348 A349 V350 L368F342-V346 HydrophobicContact CD1-CG2 4.16Å; F342-V346 HydrophobicContact CE1-CG2 3.67Å; F342-V346 HydrophobicContact CE2-CG2 4.17Å; F342-V346 HydrophobicContact CZ-CG2 3.69Å; F342-V346 WeakPolarHBondContact O-CG2 3.33Å; F342-V346 PolarHBondContact O-N 2.95Å; V346-V348 PolarHBondContact O-N 2.9Å; V346-A349 PolarHBondContact O-N 2.67Å; V346-A349 VanDerWaalsContact O-N 3.16Å; V346-V350 HydrophobicContact CG1-CG2 4.48Å; V346-V350 WeakPolarHBondContact O-CG2 3.39Å; V346-V350 PolarHBondContact O-N 3.27Å; V346-L368 HydrophobicContact CG2-CD2 4.22Å
347G86.8Confident86.4Confident11 Ų1150.9 Ų50.911%0.11328%0.279CS..Hα-helixtrans-53.2-48.617100000112.7F343 G344 E345 A349 V350 M351F343-G347 PolarHBondContact O-N 2.97Å; G344-G347 CarbonylContact O-C 3.42Å; G344-G347 WeakPolarHBondContact O-CA 2.98Å; G344-G347 PolarHBondContact O-N 3.16Å; E345-G347 VanDerWaalsContact C-N 3.25Å; E345-G347 PolarHBondContact O-N 3.39Å; G347-A349 VanDerWaalsContact C-N 3.33Å; G347-A349 PolarHBondContact O-N 3.38Å; G347-V350 PolarHBondContact O-N 3.08Å; G347-M351 VanDerWaalsContact O-CG 3.29Å; G347-M351 WeakPolarHBondContact O-CG 3.48Å; G347-M351 PolarHBondContact O-N 2.97Å
348V88.1Confident86.7Confident3 Ų357.3 Ų57.32%0.01831%0.305CS..Hα-helixtrans-58.6-45.4175.51740000111.2F233 V263 V266 M267 G344 E345 V346 V350 M351 S352 A364F233-V348 HydrophobicContact CE1-CG1 4.33Å; F233-V348 HydrophobicContact CZ-CG1 4.18Å; V263-V348 HydrophobicContact CG1-CG2 3.48Å; V263-V348 VanDerWaalsContact CG1-CG2 3.48Å; V266-V348 HydrophobicContact CG1-CG1 3.9Å; M267-V348 HydrophobicContact CG-CG2 3.27Å; M267-V348 WeakPolarHBondContact SD-CA 3.25Å; M267-V348 HydrophobicContact SD-CB 3.92Å; M267-V348 HydrophobicContact SD-CG2 3.18Å; M267-V348 WeakPolarHBondContact SD-CG2 3.49Å; M267-V348 PolarHBondContact SD-N 3.38Å; M267-V348 VanDerWaalsContact SD-N 3.36Å; G344-V348 PolarHBondContact O-N 2.94Å; E345-V348 WeakPolarHBondContact O-CB 3.37Å; E345-V348 PolarHBondContact O-N 3.46Å; V346-V348 PolarHBondContact O-N 2.9Å; V348-V350 VanDerWaalsContact C-N 3.33Å; V348-V350 PolarHBondContact O-N 3.36Å; V348-M351 PolarHBondContact O-N 3.37Å; V348-S352 WeakPolarHBondContact O-CB 3.16Å; V348-S352 PolarHBondContact O-N 3.18Å; V348-S352 PolarHBondContact O-OG 2.91Å; V348-A364 HydrophobicContact CG1-CB 3.89Å
349A87.1Confident86.9Confident16 Ų1655 Ų5513%0.13229%0.288CS..Hα-helixtrans-62-42.2-179.400000111.8E345 V346 G347 S352 L353 A364 L368E345-A349 PolarHBondContact O-N 3.4Å; V346-A349 PolarHBondContact O-N 2.67Å; V346-A349 VanDerWaalsContact O-N 3.16Å; G347-A349 VanDerWaalsContact C-N 3.33Å; G347-A349 PolarHBondContact O-N 3.38Å; A349-S352 WeakPolarHBondContact CA-OG 3.36Å; A349-S352 PolarHBondContact O-N 3.16Å; A349-S352 PolarHBondContact O-OG 3.38Å; A349-L353 WeakPolarHBondContact O-CG 3.3Å; A349-L353 PolarHBondContact O-N 3.37Å; A349-L353 VanDerWaalsContact O-N 3.1Å; A349-A364 HydrophobicContact CB-CB 4.46Å; A349-L368 HydrophobicContact CB-CD1 3.49Å; A349-L368 VanDerWaalsContact CB-CD1 3.49Å
350V87.1Confident87Confident70 Ų7053.8 Ų53.842%0.42428%0.281SS..Hα-helixtrans-62.5-47.2174.7176.20000111.1V346 G347 V348 S352 L353 L354V346-V350 HydrophobicContact CG1-CG2 4.48Å; V346-V350 WeakPolarHBondContact O-CG2 3.39Å; V346-V350 PolarHBondContact O-N 3.27Å; G347-V350 PolarHBondContact O-N 3.08Å; V348-V350 VanDerWaalsContact C-N 3.33Å; V348-V350 PolarHBondContact O-N 3.36Å; V350-S352 VanDerWaalsContact C-N 3.26Å; V350-S352 PolarHBondContact O-N 3.02Å; V350-L353 PolarHBondContact O-N 2.85Å; V350-L354 HydrophobicContact CG1-CD1 4.42Å; V350-L354 WeakPolarHBondContact O-CG 3.17Å; V350-L354 PolarHBondContact O-N 3.34Å; V350-L354 VanDerWaalsContact O-N 3.13Å
351M84Confident86.9Confident31 Ų3151.6 Ų51.615%0.15327%0.269CS..Hα-helixtrans-62.4-36.4177.9-63.5-56144.300111.9M267 T275 G347 V348 L353 L354 S355M267-M351 HydrophobicContact SD-CG 4.36Å; T275-M351 HydrophobicContact CG2-CE 3.64Å; T275-M351 HydrophobicContact CG2-CG 4.13Å; T275-M351 HydrophobicContact CG2-SD 3.72Å; G347-M351 VanDerWaalsContact O-CG 3.29Å; G347-M351 WeakPolarHBondContact O-CG 3.48Å; G347-M351 PolarHBondContact O-N 2.97Å; V348-M351 PolarHBondContact O-N 3.37Å; M351-L353 VanDerWaalsContact C-N 3.32Å; M351-L353 PolarHBondContact O-N 3.46Å; M351-L354 PolarHBondContact O-N 3.22Å; M351-L354 HydrophobicContact SD-CD1 4.1Å; M351-S355 PolarHBondContact O-N 2.97Å
352S85.9Confident86.7Confident1 Ų155.1 Ų55.11%0.00729%0.288CS..Hα-helixtrans-65.1-37.7177.774.60000112.7V348 A349 V350 L354 S355 Q356 L360 I361V348-S352 WeakPolarHBondContact O-CB 3.16Å; V348-S352 PolarHBondContact O-N 3.18Å; V348-S352 PolarHBondContact O-OG 2.91Å; A349-S352 WeakPolarHBondContact CA-OG 3.36Å; A349-S352 PolarHBondContact O-N 3.16Å; A349-S352 PolarHBondContact O-OG 3.38Å; V350-S352 VanDerWaalsContact C-N 3.26Å; V350-S352 PolarHBondContact O-N 3.02Å; S352-L354 VanDerWaalsContact C-N 3.34Å; S352-S355 PolarHBondContact O-N 3.43Å; S352-S355 PolarHBondContact O-OG 3.35Å; S352-Q356 PolarHBondContact O-N 3.4Å; S352-L360 VanDerWaalsContact CA-CD2 3.49Å; S352-I361 VanDerWaalsContact O-CG1 3.31Å; S352-I361 WeakPolarHBondContact O-CG1 3.46Å
353L86.5Confident86.7Confident111 Ų11153.9 Ų53.958%0.58128%0.282SS*.Hα-helixtrans-66.5-36.6174.4-68169.3000111.9A349 V350 M351 Q356 I361A349-L353 WeakPolarHBondContact O-CG 3.3Å; A349-L353 PolarHBondContact O-N 3.37Å; A349-L353 VanDerWaalsContact O-N 3.1Å; V350-L353 PolarHBondContact O-N 2.85Å; M351-L353 VanDerWaalsContact C-N 3.32Å; M351-L353 PolarHBondContact O-N 3.46Å; L353-Q356 PolarHBondContact O-N 3.43Å; L353-I361 HydrophobicContact CD2-CD1 4.26Å; L353-I361 HydrophobicContact CD2-CG1 4.34Å; L353-I361 HydrophobicContact CD2-CG2 4.29Å
354L86.5Confident86.7Confident109 Ų10948.8 Ų48.857%0.57126%0.261SS*.Hα-helixtrans-68.4-39.9177.3-67.1174.2000112.4V350 M351 S352 Q356V350-L354 HydrophobicContact CG1-CD1 4.42Å; V350-L354 WeakPolarHBondContact O-CG 3.17Å; V350-L354 PolarHBondContact O-N 3.34Å; V350-L354 VanDerWaalsContact O-N 3.13Å; M351-L354 PolarHBondContact O-N 3.22Å; M351-L354 HydrophobicContact SD-CD1 4.1Å; S352-L354 VanDerWaalsContact C-N 3.34Å; L354-Q356 PolarHBondContact O-N 3.24Å
355S83.4Confident86.6Confident39 Ų3951.8 Ų51.827%0.27328%0.278SS..Hα-helixtrans-67.2-17.5178.270.20000114.3M351 S352 D357 L360M351-S355 PolarHBondContact O-N 2.97Å; S352-S355 PolarHBondContact O-N 3.43Å; S352-S355 PolarHBondContact O-OG 3.35Å; S355-D357 PolarHBondContact O-N 2.98Å; S355-D357 VanDerWaalsContact O-N 3.1Å; S355-D357 PolarHBondContact OG-N 3.41Å; S355-L360 WeakPolarHBondContact OG-CD2 3.41Å
356Q82.6Confident86.6Confident169 Ų16956.3 Ų56.379%0.7930%0.301SS*.THydrogen-bonded Turntrans59.79.9-174.3-56.1-175.9-13.400115.3S352 L353 L354 F358S352-Q356 PolarHBondContact O-N 3.4Å; L353-Q356 PolarHBondContact O-N 3.43Å; L354-Q356 PolarHBondContact O-N 3.24Å; Q356-F358 PolarHBondContact O-N 3.16Å
357D85Confident86.5Confident71 Ų7154.5 Ų54.538%0.3829%0.289SS..  trans-78.2108.2178.3-75.9-26.7000111.3S355 V359 L360 I361S355-D357 PolarHBondContact O-N 2.98Å; S355-D357 VanDerWaalsContact O-N 3.1Å; S355-D357 PolarHBondContact OG-N 3.41Å; D357-V359 PolarHBondContact O-N 3.45Å; D357-V359 VanDerWaalsContact O-N 3.17Å; D357-L360 HydrophobicContact CB-CB 3.86Å; D357-L360 WeakPolarHBondContact O-CB 3.46Å; D357-L360 PolarHBondContact O-N 3.31Å; D357-L360 VanDerWaalsContact O-N 3.08Å; D357-I361 WeakPolarHBondContact O-CG1 3.17Å; D357-I361 PolarHBondContact O-N 3.25Å
358F86.8Confident86.4Confident158 Ų15855.6 Ų55.669%0.69329%0.292SS*.Hα-helixtrans-53.7-39.9-179.5-179.4-99.7000113.1Q356 I361 L362Q356-F358 PolarHBondContact O-N 3.16Å; F358-I361 PolarHBondContact O-N 3.09Å; F358-L362 HydrophobicContact CE1-CD1 4.35Å; F358-L362 HydrophobicContact CZ-CD1 4.18Å; F358-L362 WeakPolarHBondContact O-CB 3.3Å; F358-L362 PolarHBondContact O-N 3.22Å
359V88.8Confident86.1Confident66 Ų6660.6 Ų60.640%0.431%0.314SS..Hα-helixtrans-60.8-49.7179.3-179.90000110.4M234 D357 L362 S363M234-V359 HydrophobicContact CB-CG1 4.43Å; M234-V359 HydrophobicContact CG-CG1 3.18Å; M234-V359 HydrophobicContact SD-CG1 3.98Å; M234-V359 VanDerWaalsContact SD-O 3.33Å; D357-V359 PolarHBondContact O-N 3.45Å; D357-V359 VanDerWaalsContact O-N 3.17Å; V359-L362 PolarHBondContact O-N 3.03Å; V359-S363 PolarHBondContact O-N 2.86Å; V359-S363 VanDerWaalsContact O-N 3.08Å; V359-S363 PolarHBondContact O-OG 2.67Å
360L87.9Confident85.8Confident1 Ų160.5 Ų60.51%0.00532%0.315CS..Hα-helixtrans-63.8-44.7-178.8-169.576.5000111.2F233 V266 F270 S352 S355 D357 L362 S363 A364F233-L360 HydrophobicContact CD1-CD1 3.94Å; F233-L360 HydrophobicContact CE1-CD1 4.31Å; V266-L360 HydrophobicContact CG1-CD1 3.73Å; F270-L360 HydrophobicContact CB-CD2 4.46Å; F270-L360 HydrophobicContact CD1-CD2 3.7Å; F270-L360 HydrophobicContact CD2-CD1 4Å; F270-L360 HydrophobicContact CD2-CD2 4.08Å; F270-L360 HydrophobicContact CE1-CD2 3.87Å; F270-L360 HydrophobicContact CE2-CD1 3.72Å; F270-L360 HydrophobicContact CE2-CD2 4.24Å; F270-L360 HydrophobicContact CG-CD2 3.8Å; F270-L360 HydrophobicContact CZ-CD1 4.05Å; F270-L360 HydrophobicContact CZ-CD2 4.14Å; S352-L360 VanDerWaalsContact CA-CD2 3.49Å; S355-L360 WeakPolarHBondContact OG-CD2 3.41Å; D357-L360 HydrophobicContact CB-CB 3.86Å; D357-L360 WeakPolarHBondContact O-CB 3.46Å; D357-L360 PolarHBondContact O-N 3.31Å; D357-L360 VanDerWaalsContact O-N 3.08Å; L360-L362 PolarHBondContact O-N 2.92Å; L360-S363 WeakPolarHBondContact CA-OG 3.33Å; L360-S363 PolarHBondContact O-N 3.02Å; L360-S363 PolarHBondContact O-OG 2.85Å; L360-A364 WeakPolarHBondContact O-CB 3.45Å; L360-A364 PolarHBondContact O-N 3.44Å
361I87.5Confident85.4Confident43 Ų4357.2 Ų57.222%0.22130%0.295CS..Hα-helixtrans-58.6-48.5178.2-66165000110.2S352 L353 D357 F358 S363 A364 V365S352-I361 VanDerWaalsContact O-CG1 3.31Å; S352-I361 WeakPolarHBondContact O-CG1 3.46Å; L353-I361 HydrophobicContact CD2-CD1 4.26Å; L353-I361 HydrophobicContact CD2-CG1 4.34Å; L353-I361 HydrophobicContact CD2-CG2 4.29Å; D357-I361 WeakPolarHBondContact O-CG1 3.17Å; D357-I361 PolarHBondContact O-N 3.25Å; F358-I361 PolarHBondContact O-N 3.09Å; I361-S363 PolarHBondContact O-N 3.37Å; I361-A364 PolarHBondContact O-N 2.9Å; I361-V365 WeakPolarHBondContact O-CG2 3.11Å; I361-V365 PolarHBondContact O-N 2.97Å
362L87.2Confident85.4Confident76 Ų7656.2 Ų56.240%0.39829%0.291SS..Hα-helixtrans-62.1-46.5-179.5-170.5120.6000111.4M234 F358 V359 L360 A364 M366M234-L362 HydrophobicContact CE-CD2 3.55Å; M234-L362 HydrophobicContact SD-CD2 4.13Å; F358-L362 HydrophobicContact CE1-CD1 4.35Å; F358-L362 HydrophobicContact CZ-CD1 4.18Å; F358-L362 WeakPolarHBondContact O-CB 3.3Å; F358-L362 PolarHBondContact O-N 3.22Å; V359-L362 PolarHBondContact O-N 3.03Å; L360-L362 PolarHBondContact O-N 2.92Å; L362-A364 PolarHBondContact O-N 3.38Å; L362-M366 WeakPolarHBondContact O-CB 3.32Å; L362-M366 WeakPolarHBondContact O-CG 3.49Å; L362-M366 PolarHBondContact O-N 2.96Å
363S88.2Confident85.3Confident0 Ų059.7 Ų59.70%031%0.309CS..Hα-helixtrans-61.8-4117536.80000113.7F233 M234 V359 L360 I361 M366 I367F233-S363 WeakPolarHBondContact CD1-OG 3.06Å; F233-S363 VanDerWaalsContact CE1-CB 3.42Å; F233-S363 WeakPolarHBondContact CE1-OG 3.45Å; M234-S363 WeakPolarHBondContact SD-CB 3.02Å; V359-S363 PolarHBondContact O-N 2.86Å; V359-S363 VanDerWaalsContact O-N 3.08Å; V359-S363 PolarHBondContact O-OG 2.67Å; L360-S363 WeakPolarHBondContact CA-OG 3.33Å; L360-S363 PolarHBondContact O-N 3.02Å; L360-S363 PolarHBondContact O-OG 2.85Å; I361-S363 PolarHBondContact O-N 3.37Å; S363-M366 PolarHBondContact O-N 2.95Å; S363-I367 PolarHBondContact O-N 3.44Å
364A87.9Confident85.2Confident3 Ų355.2 Ų55.23%0.02529%0.286CS..Hα-helixtrans-64.2-44.7-178.400000111.2F233 V348 A349 L360 I361 L362 I367 L368F233-A364 HydrophobicContact CE1-CB 4.37Å; V348-A364 HydrophobicContact CG1-CB 3.89Å; A349-A364 HydrophobicContact CB-CB 4.46Å; L360-A364 WeakPolarHBondContact O-CB 3.45Å; L360-A364 PolarHBondContact O-N 3.44Å; I361-A364 PolarHBondContact O-N 2.9Å; L362-A364 PolarHBondContact O-N 3.38Å; A364-I367 PolarHBondContact O-N 3.39Å; A364-L368 PolarHBondContact O-N 3.15Å
365V86.1Confident85.1Confident65 Ų6550 Ų5039%0.39426%0.258SS..Hα-helixtrans-63-45.2175.3174.80000110.7I361 I367 L368 F369I361-V365 WeakPolarHBondContact O-CG2 3.11Å; I361-V365 PolarHBondContact O-N 2.97Å; V365-I367 VanDerWaalsContact C-N 3.28Å; V365-I367 PolarHBondContact O-N 3.49Å; V365-L368 PolarHBondContact O-N 3.19Å; V365-F369 HydrophobicContact CG1-CD2 3.92Å; V365-F369 HydrophobicContact CG1-CE2 4.01Å; V365-F369 VanDerWaalsContact O-CD2 3.32Å; V365-F369 WeakPolarHBondContact O-CD2 3.48Å; V365-F369 PolarHBondContact O-N 3.47Å
366M86.8Confident85Confident98 Ų9848.6 Ų48.648%0.48325%0.247SC..Hα-helixtrans-63.1-33.2179.2-71.1-61.4-68.800112.7L237 L362 S363 G370L237-M366 HydrophobicContact CD1-CB 4.26Å; L237-M366 HydrophobicContact CD2-CB 4.09Å; L362-M366 WeakPolarHBondContact O-CB 3.32Å; L362-M366 WeakPolarHBondContact O-CG 3.49Å; L362-M366 PolarHBondContact O-N 2.96Å; S363-M366 PolarHBondContact O-N 2.95Å; M366-G370 WeakPolarHBondContact O-CA 3.26Å; M366-G370 PolarHBondContact O-N 2.97Å
367I87.1Confident85.1Confident3 Ų342.2 Ų42.22%0.01522%0.218CC..Hα-helixtrans-76.4-43.4177.4-77.5162.3000112F233 L237 L259 V263 S363 A364 V365 F369 G370 G371F233-I367 HydrophobicContact CD2-CD1 3.75Å; F233-I367 HydrophobicContact CE1-CD1 4.21Å; F233-I367 HydrophobicContact CE2-CD1 3.03Å; F233-I367 HydrophobicContact CE2-CG1 4.48Å; F233-I367 HydrophobicContact CZ-CD1 3.29Å; L237-I367 HydrophobicContact CD2-CD1 3.63Å; L237-I367 HydrophobicContact CD2-CG1 3.44Å; L237-I367 VanDerWaalsContact CD2-CG1 3.44Å; L259-I367 HydrophobicContact CD1-CG1 4.38Å; L259-I367 HydrophobicContact CD2-CG1 4.49Å; L259-I367 HydrophobicContact CD2-CG2 4.13Å; L259-I367 HydrophobicContact CG-CG1 4.43Å; V263-I367 HydrophobicContact CG2-CG2 3.81Å; S363-I367 PolarHBondContact O-N 3.44Å; A364-I367 PolarHBondContact O-N 3.39Å; V365-I367 VanDerWaalsContact C-N 3.28Å; V365-I367 PolarHBondContact O-N 3.49Å; I367-F369 VanDerWaalsContact C-N 3.27Å; I367-F369 PolarHBondContact O-N 2.9Å; I367-G370 PolarHBondContact O-N 3.49Å; I367-G371 PolarHBondContact O-N 2.72Å
368L84.6Confident85.1Confident34 Ų3439.2 Ų39.218%0.17820%0.202CC..Hα-helixtrans-52.6-46.2176.5-87.1171.2000112E345 V346 A349 A364 V365 S372E345-L368 HydrophobicContact CB-CD2 3.58Å; E345-L368 HydrophobicContact CB-CG 4.36Å; V346-L368 HydrophobicContact CG2-CD2 4.22Å; A349-L368 HydrophobicContact CB-CD1 3.49Å; A349-L368 VanDerWaalsContact CB-CD1 3.49Å; A364-L368 PolarHBondContact O-N 3.15Å; V365-L368 PolarHBondContact O-N 3.19Å; L368-S372 PolarHBondContact O-OG 2.72Å
369F81.7Confident85Confident109 Ų10932.4 Ų32.448%0.47817%0.173SC..Hα-helixtrans-84.9-45.6178.2-69.1-70.8000112.7V365 I367 S372 L373 M408V365-F369 HydrophobicContact CG1-CD2 3.92Å; V365-F369 HydrophobicContact CG1-CE2 4.01Å; V365-F369 VanDerWaalsContact O-CD2 3.32Å; V365-F369 WeakPolarHBondContact O-CD2 3.48Å; V365-F369 PolarHBondContact O-N 3.47Å; I367-F369 VanDerWaalsContact C-N 3.27Å; I367-F369 PolarHBondContact O-N 2.9Å; F369-S372 PolarHBondContact O-OG 3.06Å; F369-L373 WeakPolarHBondContact O-CB 3.42Å; F369-L373 WeakPolarHBondContact O-CD1 3.28Å; F369-L373 WeakPolarHBondContact O-CG 3.17Å; F369-L373 PolarHBondContact O-N 3.23Å; F369-L373 VanDerWaalsContact O-N 3.09Å; F369-M408 HydrophobicContact CD1-CE 4.15Å
370G79.5Confident84.6Confident14 Ų1430.2 Ų30.214%0.14416%0.164CC..Hα-helixtrans-70-41-172.700000113.7M366 I367 L373 L374M366-G370 WeakPolarHBondContact O-CA 3.26Å; M366-G370 PolarHBondContact O-N 2.97Å; I367-G370 PolarHBondContact O-N 3.49Å; G370-L373 PolarHBondContact O-N 2.93Å; G370-L374 WeakPolarHBondContact O-CG 3.39Å; G370-L374 PolarHBondContact O-N 2.89Å
371G79.8Confident84.2Confident0 Ų033.2 Ų33.20%018%0.179CC..Hα-helixtrans-62.7-44.717800000112.1I367I367-G371 PolarHBondContact O-N 2.72Å
372S83.5Confident83.8Confident10 Ų1031.2 Ų31.27%0.0717%0.169CC..Hα-helixtrans-67.7-39.7178.358.20000112.8S334 L368 F369 L374 L376S334-S372 VanDerWaalsContact O-CA 3.31Å; S334-S372 WeakPolarHBondContact O-CA 3.41Å; S334-S372 WeakPolarHBondContact O-CB 3.06Å; L368-S372 PolarHBondContact O-OG 2.72Å; F369-S372 PolarHBondContact O-OG 3.06Å; S372-L374 PolarHBondContact O-N 3.38Å; S372-L376 WeakPolarHBondContact O-CG 3.22Å; S372-L376 PolarHBondContact O-N 3.15Å
373L83.3Confident83.2Confident74 Ų7429.9 Ų29.939%0.38716%0.161SC..Hα-helixtrans-60.2-41.6177.3-78.6168.4000113.2F369 G370 L376 M377 V404 M408F369-L373 WeakPolarHBondContact O-CB 3.42Å; F369-L373 WeakPolarHBondContact O-CD1 3.28Å; F369-L373 WeakPolarHBondContact O-CG 3.17Å; F369-L373 PolarHBondContact O-N 3.23Å; F369-L373 VanDerWaalsContact O-N 3.09Å; G370-L373 PolarHBondContact O-N 2.93Å; L373-L376 PolarHBondContact O-N 3.45Å; L373-M377 VanDerWaalsContact O-CB 3.28Å; L373-M377 WeakPolarHBondContact O-CB 3.36Å; L373-M377 PolarHBondContact O-N 3.36Å; L373-V404 HydrophobicContact CD2-CG1 3.8Å; L373-M408 HydrophobicContact CD2-CE 4.19Å; L373-M408 HydrophobicContact CD2-SD 3.48Å; L373-M408 WeakPolarHBondContact CD2-SD 3.44Å; L373-M408 HydrophobicContact CG-CE 4.29Å; L373-M408 HydrophobicContact CG-SD 4.2Å
374L84.7Confident82.3Confident18 Ų1832.7 Ų32.79%0.09418%0.177CC..Hα-helixtrans-62.4-47.5-177.4-72168000112.3M240 A243 L256 G370 S372 M377 V378M240-L374 HydrophobicContact CB-CD1 3.74Å; M240-L374 HydrophobicContact CG-CD1 3.81Å; A243-L374 HydrophobicContact CB-CD1 4.43Å; L256-L374 HydrophobicContact CD1-CD1 4.45Å; G370-L374 WeakPolarHBondContact O-CG 3.39Å; G370-L374 PolarHBondContact O-N 2.89Å; S372-L374 PolarHBondContact O-N 3.38Å; L374-M377 PolarHBondContact O-N 2.94Å; L374-V378 WeakPolarHBondContact O-CG2 3.35Å; L374-V378 PolarHBondContact O-N 3.31Å; L374-V378 VanDerWaalsContact O-N 3.15Å
375G84.2Confident80.9Confident0 Ų035 Ų350%019%0.193CC..Hα-helixtrans-65.1-42.3178.600000112.6M377 V378 L379G375-M377 PolarHBondContact O-N 2.94Å; G375-V378 PolarHBondContact O-N 3.3Å; G375-L379 WeakPolarHBondContact O-CB 3.23Å; G375-L379 PolarHBondContact O-N 3.43Å
376L83Confident79Confident8 Ų837.2 Ų37.24%0.04220%0.201CC..Hα-helixtrans-66.3-36.1177.3-71.3175.4000112.8F336 S372 L373 L379 G380 V404 M408F336-L376 HydrophobicContact CD2-CD1 4.03Å; F336-L376 HydrophobicContact CE2-CD1 3.95Å; S372-L376 WeakPolarHBondContact O-CG 3.22Å; S372-L376 PolarHBondContact O-N 3.15Å; L373-L376 PolarHBondContact O-N 3.45Å; L376-L379 HydrophobicContact CD2-CD2 4.3Å; L376-L379 WeakPolarHBondContact O-CB 3.31Å; L376-L379 PolarHBondContact O-N 2.74Å; L376-G380 PolarHBondContact O-N 3.45Å; L376-V404 HydrophobicContact CB-CG1 4.18Å; L376-V404 HydrophobicContact CB-CG2 4.3Å; L376-V404 HydrophobicContact CD1-CG1 4.31Å; L376-M408 HydrophobicContact CD1-CG 3.98Å
377M83.5Confident76.9Confident36 Ų3638.8 Ų38.818%0.17721%0.211CC..Hα-helixtrans-66.3-44.6176.5-173.3-163.267.500111.4Y244 L373 L374 G375 L379 G380 L381 L400Y244-M377 HydrophobicContact CD2-CE 3.26Å; Y244-M377 HydrophobicContact CD2-SD 3.68Å; Y244-M377 HydrophobicContact CE2-CE 3.39Å; Y244-M377 HydrophobicContact CE2-SD 3.29Å; Y244-M377 WeakPolarHBondContact CE2-SD 3.1Å; Y244-M377 HydrophobicContact CG-CE 4.33Å; L373-M377 VanDerWaalsContact O-CB 3.28Å; L373-M377 WeakPolarHBondContact O-CB 3.36Å; L373-M377 PolarHBondContact O-N 3.36Å; L374-M377 PolarHBondContact O-N 2.94Å; G375-M377 PolarHBondContact O-N 2.94Å; M377-L379 VanDerWaalsContact C-N 3.33Å; M377-G380 PolarHBondContact O-N 2.95Å; M377-G380 VanDerWaalsContact O-N 3.17Å; M377-L381 WeakPolarHBondContact O-CG 3.4Å; M377-L381 PolarHBondContact O-N 2.92Å; M377-L400 HydrophobicContact CG-CD2 3.94Å
378V84.9Confident74.7Confident7 Ų743.9 Ų43.94%0.04224%0.238CC..Hα-helixtrans-64-40.5175.1176.70000110.7W252 W309 F330 L374 G375 G380 L381 V382W252-V378 HydrophobicContact CZ2-CB 4.24Å; W252-V378 HydrophobicContact CZ2-CG2 4.06Å; W309-V378 HydrophobicContact CD2-CG1 3.84Å; W309-V378 HydrophobicContact CE3-CG1 3.96Å; W309-V378 HydrophobicContact CG-CG1 4.46Å; W309-V378 HydrophobicContact CH2-CG1 4.03Å; W309-V378 HydrophobicContact CZ2-CG1 3.93Å; W309-V378 HydrophobicContact CZ3-CG1 4.08Å; F330-V378 HydrophobicContact CE1-CB 4.2Å; F330-V378 HydrophobicContact CE1-CG1 3.74Å; F330-V378 HydrophobicContact CZ-CG1 4.15Å; L374-V378 WeakPolarHBondContact O-CG2 3.35Å; L374-V378 PolarHBondContact O-N 3.31Å; L374-V378 VanDerWaalsContact O-N 3.15Å; G375-V378 PolarHBondContact O-N 3.3Å; V378-G380 VanDerWaalsContact C-N 3.29Å; V378-G380 PolarHBondContact O-N 3.46Å; V378-L381 WeakPolarHBondContact O-CB 3.01Å; V378-L381 PolarHBondContact O-N 2.64Å; V378-L381 VanDerWaalsContact O-N 3.15Å; V378-V382 HydrophobicContact CG1-CG2 4.29Å; V378-V382 VanDerWaalsContact O-CG2 3.27Å; V378-V382 WeakPolarHBondContact O-CG2 3.4Å; V378-V382 PolarHBondContact O-N 3.17Å
379L85.6Confident72.6Confident16 Ų1647.8 Ų47.88%0.08427%0.269CS..Hα-helixtrans-56.7-44.4172.1177.667.1000111.4V327 F330 G375 L376 M377 L381 V382 M383V327-L379 HydrophobicContact CG1-CD2 4.43Å; V327-L379 HydrophobicContact CG2-CD1 4.06Å; V327-L379 HydrophobicContact CG2-CD2 4.24Å; F330-L379 HydrophobicContact CB-CB 4.17Å; F330-L379 HydrophobicContact CB-CD1 4.05Å; F330-L379 HydrophobicContact CB-CD2 4.27Å; F330-L379 HydrophobicContact CB-CG 4.39Å; F330-L379 HydrophobicContact CD1-CB 4.21Å; F330-L379 HydrophobicContact CD2-CB 4.48Å; F330-L379 HydrophobicContact CD2-CD1 3.67Å; F330-L379 HydrophobicContact CE2-CD1 4.32Å; F330-L379 HydrophobicContact CG-CB 4.05Å; F330-L379 HydrophobicContact CG-CD1 3.96Å; G375-L379 WeakPolarHBondContact O-CB 3.23Å; G375-L379 PolarHBondContact O-N 3.43Å; L376-L379 HydrophobicContact CD2-CD2 4.3Å; L376-L379 WeakPolarHBondContact O-CB 3.31Å; L376-L379 PolarHBondContact O-N 2.74Å; M377-L379 VanDerWaalsContact C-N 3.33Å; L379-L381 PolarHBondContact O-N 3.04Å; L379-V382 PolarHBondContact O-N 3.41Å; L379-M383 HydrophobicContact CD1-CE 4.03Å; L379-M383 HydrophobicContact CD1-CG 4.15Å; L379-M383 HydrophobicContact CG-CG 4.45Å; L379-M383 WeakPolarHBondContact O-CB 3.41Å; L379-M383 WeakPolarHBondContact O-CG 3.35Å; L379-M383 PolarHBondContact O-N 3.09Å
380G80.5Confident70.2Confident19 Ų1952.6 Ų52.620%0.19629%0.289CS..Hα-helixtrans-59.9-43.2174.800000112.7L376 M377 V378 M383 N384L376-G380 PolarHBondContact O-N 3.45Å; M377-G380 PolarHBondContact O-N 2.95Å; M377-G380 VanDerWaalsContact O-N 3.17Å; V378-G380 VanDerWaalsContact C-N 3.29Å; V378-G380 PolarHBondContact O-N 3.46Å; G380-M383 PolarHBondContact O-N 3.42Å; G380-N384 WeakPolarHBondContact O-CB 3.34Å; G380-N384 PolarHBondContact O-N 2.63Å
381L78.3Confident67.8Low64 Ų6454 Ų5434%0.33530%0.303SS..Hα-helixtrans-62.5-42.5175.4-69.9175.2000112.2M377 V378 L379 M395 L400M377-L381 WeakPolarHBondContact O-CG 3.4Å; M377-L381 PolarHBondContact O-N 2.92Å; V378-L381 WeakPolarHBondContact O-CB 3.01Å; V378-L381 PolarHBondContact O-N 2.64Å; V378-L381 VanDerWaalsContact O-N 3.15Å; L379-L381 PolarHBondContact O-N 3.04Å; L381-M395 HydrophobicContact CD2-CE 3.23Å; L381-M395 HydrophobicContact CD2-SD 3.49Å; L381-M395 WeakPolarHBondContact CD2-SD 3.36Å; L381-L400 HydrophobicContact CD2-CD1 3.98Å; L381-L400 HydrophobicContact CG-CD1 4.39Å
382V79.4Confident65.4Low1 Ų162.4 Ų62.41%0.00635%0.347CS..Hα-helixtrans-62.4-53.4177.71710000109.4W309 S313 F316 C317 F330 V378 L379 N384 S385W309-V382 HydrophobicContact CE3-CG2 3.85Å; W309-V382 HydrophobicContact CZ3-CG2 4.29Å; S313-V382 WeakPolarHBondContact CB-O 3.46Å; F316-V382 HydrophobicContact CB-CG1 3.67Å; F316-V382 HydrophobicContact CD2-CG1 3.78Å; F316-V382 HydrophobicContact CG-CG1 4.24Å; C317-V382 PolarHBondContact SG-O 2.9Å; F330-V382 HydrophobicContact CZ-CG2 4.16Å; V378-V382 HydrophobicContact CG1-CG2 4.29Å; V378-V382 VanDerWaalsContact O-CG2 3.27Å; V378-V382 WeakPolarHBondContact O-CG2 3.4Å; V378-V382 PolarHBondContact O-N 3.17Å; L379-V382 PolarHBondContact O-N 3.41Å; V382-N384 PolarHBondContact O-N 3.26Å; V382-S385 PolarHBondContact O-N 3.39Å; V382-S385 PolarHBondContact O-OG 2.77Å
383M75.6Confident62.8Low48 Ų4870.1 Ų70.124%0.23638%0.384CS..Hα-helixtrans-65.2-34.6-176.5-68.4-62.712900113.8C317 Q323 S326 L379 G380 S385C317-M383 VanDerWaalsContact SG-CA 3.54Å; Q323-M383 HydrophobicContact CB-SD 4.27Å; Q323-M383 HydrophobicContact CG-CE 4.45Å; Q323-M383 HydrophobicContact CG-SD 4.07Å; S326-M383 WeakPolarHBondContact OG-CE 3.4Å; L379-M383 HydrophobicContact CD1-CE 4.03Å; L379-M383 HydrophobicContact CD1-CG 4.15Å; L379-M383 HydrophobicContact CG-CG 4.45Å; L379-M383 WeakPolarHBondContact O-CB 3.41Å; L379-M383 WeakPolarHBondContact O-CG 3.35Å; L379-M383 PolarHBondContact O-N 3.09Å; G380-M383 PolarHBondContact O-N 3.42Å; M383-S385 VanDerWaalsContact C-N 3.25Å; M383-S385 PolarHBondContact O-N 3.04Å
384N68.3Low60.4Low60 Ų6072.7 Ų72.732%0.32140%0.402SS..Hα-helixtrans-75.6-11.1-173.8-160.132.7000114G380 V382 L386 L387G380-N384 WeakPolarHBondContact O-CB 3.34Å; G380-N384 PolarHBondContact O-N 2.63Å; V382-N384 PolarHBondContact O-N 3.26Å; N384-L386 PolarHBondContact O-N 3.42Å; N384-L387 PolarHBondContact O-N 3.35Å; N384-L387 WeakPolarHBondContact OD1-CD1 3.46Å
385S59.5Low57.9Low52 Ų5278 Ų7836%0.36443%0.428SS..THydrogen-bonded Turntrans-62.7-11-177.5650000115.2S313 V382 M383S313-S385 WeakPolarHBondContact CB-OG 3.31Å; S313-S385 WeakPolarHBondContact OG-CB 3.45Å; S313-S385 PolarHBondContact OG-OG 3.02Å; V382-S385 PolarHBondContact O-N 3.39Å; V382-S385 PolarHBondContact O-OG 2.77Å; M383-S385 VanDerWaalsContact C-N 3.25Å; M383-S385 PolarHBondContact O-N 3.04Å
386L45.7Very low55.6Low110 Ų11080.4 Ų80.458%0.57645%0.453SS*.THydrogen-bonded Turntrans-83.2-19.5173.6-79.2173.1000114.7C317 N384C317-L386 HydrophobicContact CB-CD1 3.51Å; C317-L386 HydrophobicContact CB-CD2 4.47Å; C317-L386 HydrophobicContact CB-CG 3.68Å; C317-L386 WeakPolarHBondContact O-CD1 3.42Å; N384-L386 PolarHBondContact O-N 3.42Å
387L42.2Very low53.8Low131 Ų13185.5 Ų85.569%0.68648%0.478SS*.THydrogen-bonded Turntrans-85.6-22.9-169.4-76.5162.6000113.6N384N384-L387 PolarHBondContact O-N 3.35Å; N384-L387 WeakPolarHBondContact OD1-CD1 3.46Å
388D41.4Very low51.8Low110 Ų11092.4 Ų92.459%0.58851%0.507SS*.  trans-120.466-174.8-72.9-33.1000113.3K390D388-K390 PolarHBondContact O-N 3.2Å
389S39.7Very low50Low116 Ų11693.9 Ų93.981%0.81152%0.524SS*.THydrogen-bonded Turntrans-74.55.1165.356.30000113.7
390K31.4Very low48.1Very low210 Ų21094.4 Ų94.491%0.91353%0.526SS*.THydrogen-bonded Turntrans-130.411.7-174.9-73.9-169.7178.2-1800116.7D388D388-K390 PolarHBondContact O-N 3.2Å
391G29.7Very low46.7Very low43 Ų4397.7 Ų97.744%0.44354%0.539SS..  trans-155.794.6-176.500000114.5M393G391-M393 PolarHBondContact O-N 2.86Å
392I29.7Very low45.3Very low178 Ų17898.4 Ų98.491%0.91355%0.546SS*.SBendtrans-69.887.3151.1-59.4165.7000105.6
393M28.4Very low44Very low171 Ų171107.1 Ų107.184%0.84258%0.58SS**SBendtrans164.5130.7153.5-97.7179140.900111.1G391G391-M393 PolarHBondContact O-N 2.86Å
394V32.6Very low43Very low129 Ų129105.6 Ų105.678%0.78257%0.573SS**  trans79.977.9170.5-158.90000115.4G396V394-G396 PolarHBondContact O-N 3.35Å
395M32.5Very low42.5Very low129 Ų129107.3 Ų107.364%0.63558%0.582SS**  trans-63101.7154.1-120-150.6-97.700108.7L381 M397L381-M395 HydrophobicContact CD2-CE 3.23Å; L381-M395 HydrophobicContact CD2-SD 3.49Å; L381-M395 WeakPolarHBondContact CD2-SD 3.36Å; M395-M397 PolarHBondContact O-N 3.2Å; M395-M397 VanDerWaalsContact O-N 3.16Å
396G35.5Very low42.2Very low51 Ų51112.7 Ų112.753%0.52660%0.595SS.*  trans-70.1103.7166.600000109.5V394 K398 G399V394-G396 PolarHBondContact O-N 3.35Å; G396-K398 PolarHBondContact O-N 3.39Å; G396-G399 PolarHBondContact O-N 3.12Å
397M46.6Very low42.7Very low115 Ų115112.1 Ų112.157%0.56759%0.588SS**Hα-helixtrans-46.5-14.3170.5-84-118.347.900115.5M395 L401M395-M397 PolarHBondContact O-N 3.2Å; M395-M397 VanDerWaalsContact O-N 3.16Å; M397-L401 HydrophobicContact CE-CD1 4.05Å
398K39.7Very low43.4Very low180 Ų180107.3 Ų107.378%0.78356%0.562SS**Hα-helixtrans-77.9-34.5-172.9-64.9-175.6177.6-178.30114.6G396 V402G396-K398 PolarHBondContact O-N 3.39Å; K398-V402 VanDerWaalsContact O-CG2 3.32Å; K398-V402 WeakPolarHBondContact O-CG2 3.4Å; K398-V402 PolarHBondContact O-N 3.34Å
399G48.2Very low44Very low38 Ų38108.2 Ų108.239%0.39256%0.561SS.*Hα-helixtrans-74.7-42.7-178.700000112.7G396 L401 V402 Y403G396-G399 PolarHBondContact O-N 3.12Å; G399-L401 PolarHBondContact O-N 3.06Å; G399-V402 PolarHBondContact O-N 2.95Å; G399-Y403 WeakPolarHBondContact O-CD2 3.21Å; G399-Y403 PolarHBondContact O-N 3.39Å
400L46.4Very low44.6Very low27 Ų27108.3 Ų108.314%0.14155%0.551CS.*Hα-helixtrans-67.5-36.9-178-143.3142.3000111.7M377 L381 V404M377-L400 HydrophobicContact CG-CD2 3.94Å; L381-L400 HydrophobicContact CD2-CD1 3.98Å; L381-L400 HydrophobicContact CG-CD1 4.39Å; L400-V404 HydrophobicContact CD2-CG2 4.26Å; L400-V404 WeakPolarHBondContact O-CB 3.18Å; L400-V404 VanDerWaalsContact O-CG2 3.23Å; L400-V404 WeakPolarHBondContact O-CG2 3.33Å; L400-V404 PolarHBondContact O-N 3.02Å; L400-V404 VanDerWaalsContact O-N 3.1Å
401L49.3Very low45.6Very low88 Ų8898.7 Ų98.746%0.46151%0.511SS..Hα-helixtrans-62.1-41.6172.5-103158.9000112.4M397 G399 V404 I405M397-L401 HydrophobicContact CE-CD1 4.05Å; G399-L401 PolarHBondContact O-N 3.06Å; L401-V404 PolarHBondContact O-N 3.03Å; L401-I405 HydrophobicContact CD2-CD1 3.98Å; L401-I405 HydrophobicContact CD2-CG1 4.46Å; L401-I405 WeakPolarHBondContact O-CB 3.33Å; L401-I405 WeakPolarHBondContact O-CD1 3.37Å; L401-I405 WeakPolarHBondContact O-CG1 3.29Å; L401-I405 PolarHBondContact O-N 3.25Å
402V48.9Very low46.8Very low79 Ų79100.7 Ų100.748%0.47951%0.511SS..Hα-helixtrans-68.5-40.2-177.8174.90000111.5K398 G399 I405 Y406K398-V402 VanDerWaalsContact O-CG2 3.32Å; K398-V402 WeakPolarHBondContact O-CG2 3.4Å; K398-V402 PolarHBondContact O-N 3.34Å; G399-V402 PolarHBondContact O-N 2.95Å; V402-I405 PolarHBondContact O-N 3.46Å; V402-Y406 HydrophobicContact CG1-CD2 3.97Å; V402-Y406 HydrophobicContact CG1-CE2 4.34Å; V402-Y406 WeakPolarHBondContact O-CB 3.5Å; V402-Y406 PolarHBondContact O-N 3.42Å
403Y52.1Low47.5Very low184 Ų18496.3 Ų96.372%0.72249%0.489SS*.Hα-helixtrans-68-40.8175.9-70.6-66.1000112.5G399 Y406 F407G399-Y403 WeakPolarHBondContact O-CD2 3.21Å; G399-Y403 PolarHBondContact O-N 3.39Å; Y403-Y406 PolarHBondContact O-N 3.45Å; Y403-F407 WeakPolarHBondContact O-CB 3.37Å; Y403-F407 PolarHBondContact O-N 2.94Å
404V55.9Low48.3Very low16 Ų1694.8 Ų94.810%0.09748%0.481CS..Hα-helixtrans-64.1-43.4175.8173.90000110.5L373 L376 L400 L401 F407 M408L373-V404 HydrophobicContact CD2-CG1 3.8Å; L376-V404 HydrophobicContact CB-CG1 4.18Å; L376-V404 HydrophobicContact CB-CG2 4.3Å; L376-V404 HydrophobicContact CD1-CG1 4.31Å; L400-V404 HydrophobicContact CD2-CG2 4.26Å; L400-V404 WeakPolarHBondContact O-CB 3.18Å; L400-V404 VanDerWaalsContact O-CG2 3.23Å; L400-V404 WeakPolarHBondContact O-CG2 3.33Å; L400-V404 PolarHBondContact O-N 3.02Å; L400-V404 VanDerWaalsContact O-N 3.1Å; L401-V404 PolarHBondContact O-N 3.03Å; V404-F407 PolarHBondContact O-N 3.05Å; V404-M408 HydrophobicContact CG1-CG 4.28Å; V404-M408 HydrophobicContact CG1-SD 4Å; V404-M408 WeakPolarHBondContact O-CB 3.48Å; V404-M408 WeakPolarHBondContact O-CG 3.26Å; V404-M408 PolarHBondContact O-N 2.98Å
405I56.5Low48.9Very low97 Ų9791.7 Ų91.750%0.49746%0.458SS..Hα-helixtrans-63.6-43.8176.2-68.7163.7000111.3L401 V402 F407 M408 F409L401-I405 HydrophobicContact CD2-CD1 3.98Å; L401-I405 HydrophobicContact CD2-CG1 4.46Å; L401-I405 WeakPolarHBondContact O-CB 3.33Å; L401-I405 WeakPolarHBondContact O-CD1 3.37Å; L401-I405 WeakPolarHBondContact O-CG1 3.29Å; L401-I405 PolarHBondContact O-N 3.25Å; V402-I405 PolarHBondContact O-N 3.46Å; I405-F407 PolarHBondContact O-N 3.28Å; I405-M408 PolarHBondContact O-N 2.85Å; I405-F409 VanDerWaalsContact O-CB 3.3Å; I405-F409 WeakPolarHBondContact O-CB 3.16Å; I405-F409 PolarHBondContact O-N 2.88Å
406Y54.1Low49.6Very low164 Ų16493.2 Ų93.264%0.64347%0.465SS*.Hα-helixtrans-63.7-40.5177-105.3-85.1000112.1V402 Y403 F409 M410V402-Y406 HydrophobicContact CG1-CD2 3.97Å; V402-Y406 HydrophobicContact CG1-CE2 4.34Å; V402-Y406 WeakPolarHBondContact O-CB 3.5Å; V402-Y406 PolarHBondContact O-N 3.42Å; Y403-Y406 PolarHBondContact O-N 3.45Å; Y406-F409 PolarHBondContact O-N 3.21Å; Y406-M410 WeakPolarHBondContact O-CB 3.11Å; Y406-M410 WeakPolarHBondContact O-CG 3.41Å; Y406-M410 PolarHBondContact O-N 3.34Å
407F56.4Low50Low99 Ų9996.8 Ų96.843%0.43448%0.477SS..Hα-helixtrans-70.2-40.7178.4-138.3-88.7000111.5M331 F336 Y403 V404 I405 M410 G411M331-F407 HydrophobicContact SD-CE1 3.87Å; F336-F407 HydrophobicContact CE1-CD1 4.16Å; F336-F407 HydrophobicContact CE1-CE1 4.43Å; F336-F407 HydrophobicContact CZ-CD1 4.28Å; F336-F407 WeakPolarHBondContact CZ-O 3.24Å; Y403-F407 WeakPolarHBondContact O-CB 3.37Å; Y403-F407 PolarHBondContact O-N 2.94Å; V404-F407 PolarHBondContact O-N 3.05Å; I405-F407 PolarHBondContact O-N 3.28Å; F407-M410 PolarHBondContact O-N 3.43Å; F407-G411 PolarHBondContact O-N 3.21Å
408M56.5Low49.5Very low29 Ų2999 Ų9914%0.14350%0.496CS..Hα-helixtrans-61.5-42172.6-73.5-176.285.300111.8F336 F369 L373 L376 V404 I405 G411 L412F336-M408 HydrophobicContact CE2-CG 4.32Å; F369-M408 HydrophobicContact CD1-CE 4.15Å; L373-M408 HydrophobicContact CD2-CE 4.19Å; L373-M408 HydrophobicContact CD2-SD 3.48Å; L373-M408 WeakPolarHBondContact CD2-SD 3.44Å; L373-M408 HydrophobicContact CG-CE 4.29Å; L373-M408 HydrophobicContact CG-SD 4.2Å; L376-M408 HydrophobicContact CD1-CG 3.98Å; V404-M408 HydrophobicContact CG1-CG 4.28Å; V404-M408 HydrophobicContact CG1-SD 4Å; V404-M408 WeakPolarHBondContact O-CB 3.48Å; V404-M408 WeakPolarHBondContact O-CG 3.26Å; V404-M408 PolarHBondContact O-N 2.98Å; I405-M408 PolarHBondContact O-N 2.85Å; M408-G411 PolarHBondContact O-N 3.08Å; M408-L412 WeakPolarHBondContact O-CB 3.11Å; M408-L412 WeakPolarHBondContact O-CG 3.48Å; M408-L412 PolarHBondContact O-N 3.48Å
409F54.8Low50Low129 Ų12995 Ų9557%0.56648%0.482SS*.Hα-helixtrans-66.8-42178-163.8-99.1000111.9I405 Y406 L412 L413I405-F409 VanDerWaalsContact O-CB 3.3Å; I405-F409 WeakPolarHBondContact O-CB 3.16Å; I405-F409 PolarHBondContact O-N 2.88Å; Y406-F409 PolarHBondContact O-N 3.21Å; F409-L412 PolarHBondContact O-N 3.19Å; F409-L413 HydrophobicContact CD1-CD1 3.73Å; F409-L413 HydrophobicContact CD1-CG 4.3Å; F409-L413 HydrophobicContact CE1-CD1 3.61Å; F409-L413 HydrophobicContact CE1-CG 4.15Å; F409-L413 WeakPolarHBondContact O-CB 3.35Å; F409-L413 WeakPolarHBondContact O-CG 3.38Å; F409-L413 PolarHBondContact O-N 3.14Å
410M51.3Low50.1Low119 Ų11997.9 Ų97.959%0.58649%0.487SS*.Hα-helixtrans-66.5-39.8174.4-72.7-65.9-104.500112Y406 F407 L413 M414Y406-M410 WeakPolarHBondContact O-CB 3.11Å; Y406-M410 WeakPolarHBondContact O-CG 3.41Å; Y406-M410 PolarHBondContact O-N 3.34Å; F407-M410 PolarHBondContact O-N 3.43Å; M410-L413 HydrophobicContact SD-CD1 4.28Å; M410-L413 PolarHBondContact O-N 2.52Å; M410-M414 VanDerWaalsContact O-CG 3.26Å; M410-M414 WeakPolarHBondContact O-CG 3.49Å; M410-M414 PolarHBondContact O-N 3.12Å
411G53.7Low50.3Low8 Ų8101.9 Ų101.98%0.08251%0.506CS..Hα-helixtrans-65.4-39.9174.800000113.3F407 M408 M414 F415F407-G411 PolarHBondContact O-N 3.21Å; M408-G411 PolarHBondContact O-N 3.08Å; G411-M414 PolarHBondContact O-N 3.42Å; G411-F415 PolarHBondContact O-N 3.08Å
412L53.9Low50.4Low85 Ų85102.7 Ų102.745%0.44551%0.508SS..Hα-helixtrans-65.8-40.4173.3-82.4164.8000112.1M408 F409 M414 F415 M416M408-L412 WeakPolarHBondContact O-CB 3.11Å; M408-L412 WeakPolarHBondContact O-CG 3.48Å; M408-L412 PolarHBondContact O-N 3.48Å; F409-L412 PolarHBondContact O-N 3.19Å; L412-M414 VanDerWaalsContact C-N 3.34Å; L412-F415 PolarHBondContact O-N 3.22Å; L412-M416 WeakPolarHBondContact O-CG 3.36Å; L412-M416 PolarHBondContact O-N 2.71Å
413L44.8Very low50.5Low85 Ų85104.2 Ų104.245%0.44551%0.51SS..Hα-helixtrans-62.1-41.4174.4-81.9171.3000111.8F409 M410 F415 M416 V417F409-L413 HydrophobicContact CD1-CD1 3.73Å; F409-L413 HydrophobicContact CD1-CG 4.3Å; F409-L413 HydrophobicContact CE1-CD1 3.61Å; F409-L413 HydrophobicContact CE1-CG 4.15Å; F409-L413 WeakPolarHBondContact O-CB 3.35Å; F409-L413 WeakPolarHBondContact O-CG 3.38Å; F409-L413 PolarHBondContact O-N 3.14Å; M410-L413 HydrophobicContact SD-CD1 4.28Å; M410-L413 PolarHBondContact O-N 2.52Å; L413-F415 VanDerWaalsContact C-N 3.29Å; L413-F415 PolarHBondContact O-N 3.04Å; L413-M416 PolarHBondContact O-N 2.72Å; L413-V417 WeakPolarHBondContact O-CG2 3.47Å; L413-V417 PolarHBondContact O-N 3.36Å
414M45.2Very low50.4Low139 Ų13998.9 Ų98.969%0.68550%0.496SS*.Hα-helixtrans-66.7-32175.5-67.2-64.2-70.400112.1M410 G411 L412M410-M414 VanDerWaalsContact O-CG 3.26Å; M410-M414 WeakPolarHBondContact O-CG 3.49Å; M410-M414 PolarHBondContact O-N 3.12Å; G411-M414 PolarHBondContact O-N 3.42Å; L412-M414 VanDerWaalsContact C-N 3.34Å
415F45.7Very low50Low64 Ų64104.8 Ų104.828%0.28153%0.525SS..Hα-helixtrans-72.1-37.1174.4-179.2-111.1000112.8F342 F343 G411 L412 L413 V417 V418F342-F415 HydrophobicContact CD1-CD2 4.36Å; F342-F415 HydrophobicContact CD1-CE2 4.29Å; F342-F415 HydrophobicContact CE1-CD1 4.3Å; F342-F415 AromaticContact CE1-CD2 3.54Å; F342-F415 HydrophobicContact CE1-CD2 3.54Å; F342-F415 HydrophobicContact CE1-CE1 4.22Å; F342-F415 AromaticContact CE1-CE2 3.48Å; F342-F415 HydrophobicContact CE1-CE2 3.48Å; F342-F415 VanDerWaalsContact CE1-CE2 3.48Å; F342-F415 AromaticContact CE1-CG 3.97Å; F342-F415 HydrophobicContact CE1-CG 3.97Å; F342-F415 AromaticContact CE1-CZ 3.82Å; F342-F415 HydrophobicContact CE1-CZ 3.82Å; F342-F415 HydrophobicContact CZ-CD1 4.35Å; F342-F415 HydrophobicContact CZ-CD2 4.31Å; F342-F415 HydrophobicContact CZ-CE1 4.4Å; F342-F415 HydrophobicContact CZ-CE2 4.39Å; F342-F415 HydrophobicContact CZ-CG 4.3Å; F342-F415 HydrophobicContact CZ-CZ 4.41Å; F343-F415 HydrophobicContact CE1-CE2 4.18Å; G411-F415 PolarHBondContact O-N 3.08Å; L412-F415 PolarHBondContact O-N 3.22Å; L413-F415 VanDerWaalsContact C-N 3.29Å; L413-F415 PolarHBondContact O-N 3.04Å; F415-V417 PolarHBondContact O-N 3.46Å; F415-V418 PolarHBondContact O-N 2.99Å
416M46.5Very low49.5Very low161 Ų161105.4 Ų105.479%0.79353%0.527SS*.Hα-helixtrans-67.7-16176.8-72.8-75.1-142.600113.9L412 L413L412-M416 WeakPolarHBondContact O-CG 3.36Å; L412-M416 PolarHBondContact O-N 2.71Å; L413-M416 PolarHBondContact O-N 2.72Å
417V44.1Very low49.1Very low127 Ų127100.5 Ų100.577%0.7752%0.517SS*.THydrogen-bonded Turntrans-91.3-14.9-179.6173.80000112.4L413 F415L413-V417 WeakPolarHBondContact O-CG2 3.47Å; L413-V417 PolarHBondContact O-N 3.36Å; F415-V417 PolarHBondContact O-N 3.46Å
418V36.1Very low48.4Very low161 Ų161100.6 Ų100.698%0.97653%0.525SS*.  trans-1070178.9179.60000109.6F415F415-V418 PolarHBondContact O-N 2.99Å

Retrieved 418 of 418 residues in 93.2 ms (Link to these results)

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