A0A061I4M3_CRIGR Loading...

TLC domain containing 5

AlphaFold DB , UniProt , Accession A0A061I4M3, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene n/a, Length 245 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
1M69.3Low92Very high201 Ų20184.7 Ų84.799%0.9950%0.495SS*.  0-60.90-152.5-172.5-40.600111.7L3 G4 L5M1-L3 PolarHBondContact O-N 3.43Å; M1-G4 PolarHBondContact O-N 3.28Å; M1-G4 VanDerWaalsContact O-N 3.09Å; M1-L5 PolarHBondContact O-N 3.41Å
2A82.9Confident92.5Very high71 Ų7178.8 Ų78.859%0.58746%0.461SS*.Hα-helixtrans-54.8-44.6-178.100000114.9G4 L5 C6A2-G4 VanDerWaalsContact C-N 3.29Å; A2-G4 PolarHBondContact O-N 3.16Å; A2-L5 PolarHBondContact O-N 3.2Å; A2-C6 PolarHBondContact O-N 3.34Å; A2-C6 PolarHBondContact O-SG 3.39Å; A2-C6 VanDerWaalsContact O-SG 3.35Å
3L89.1Confident93Very high133 Ų13375.4 Ų75.470%0.69644%0.44SS*.Hα-helixtrans-58.8-40.2177.3-177.265000112.6M1 C6 L7M1-L3 PolarHBondContact O-N 3.43Å; L3-C6 PolarHBondContact O-N 2.7Å; L3-L7 HydrophobicContact CG-CD1 4.2Å; L3-L7 VanDerWaalsContact O-CG 3.31Å; L3-L7 WeakPolarHBondContact O-CG 3.23Å; L3-L7 PolarHBondContact O-N 3.23Å
4G92Very high93.4Very high36 Ų3672.2 Ų72.237%0.37143%0.431SS..Hα-helixtrans-65-42.3178.100000112.2M1 A2 L7 Q8M1-G4 PolarHBondContact O-N 3.28Å; M1-G4 VanDerWaalsContact O-N 3.09Å; A2-G4 VanDerWaalsContact C-N 3.29Å; A2-G4 PolarHBondContact O-N 3.16Å; G4-L7 PolarHBondContact O-N 3.43Å; G4-Q8 WeakPolarHBondContact O-CG 3.46Å; G4-Q8 PolarHBondContact O-N 2.97Å
5L95.3Very high93.7Very high35 Ų3570.1 Ų70.118%0.18343%0.43CS..Hα-helixtrans-63.4-46.1175.4-63.8176.2000111.5M1 A2 L7 Q8 V9 V75 L117M1-L5 PolarHBondContact O-N 3.41Å; A2-L5 PolarHBondContact O-N 3.2Å; L5-L7 VanDerWaalsContact C-N 3.32Å; L5-L7 PolarHBondContact O-N 3.32Å; L5-Q8 PolarHBondContact O-N 2.93Å; L5-V9 WeakPolarHBondContact O-CG2 3.21Å; L5-V9 PolarHBondContact O-N 3.4Å; L5-V75 HydrophobicContact CD2-CG1 3.47Å; L5-V75 VanDerWaalsContact CD2-CG1 3.47Å; L5-L117 HydrophobicContact CD2-CD2 4.39Å
6C95.2Very high94Very high74 Ų7466.4 Ų66.450%0.541%0.406SS..Hα-helixtrans-58.5-44.5176.6-680000111.6A2 L3 V9 L10A2-C6 PolarHBondContact O-N 3.34Å; A2-C6 PolarHBondContact O-SG 3.39Å; A2-C6 VanDerWaalsContact O-SG 3.35Å; L3-C6 PolarHBondContact O-N 2.7Å; C6-V9 PolarHBondContact O-N 2.62Å; C6-L10 WeakPolarHBondContact O-CB 3.31Å; C6-L10 VanDerWaalsContact O-CG 3.23Å; C6-L10 WeakPolarHBondContact O-CG 3.42Å; C6-L10 PolarHBondContact O-N 2.96Å
7L96.3Very high94.3Very high95 Ų9567.2 Ų67.250%0.49741%0.407SS..Hα-helixtrans-61.5-45176.4-73.6169.4000111.7L3 G4 L5 V9 L10 C11L3-L7 HydrophobicContact CG-CD1 4.2Å; L3-L7 VanDerWaalsContact O-CG 3.31Å; L3-L7 WeakPolarHBondContact O-CG 3.23Å; L3-L7 PolarHBondContact O-N 3.23Å; G4-L7 PolarHBondContact O-N 3.43Å; L5-L7 VanDerWaalsContact C-N 3.32Å; L5-L7 PolarHBondContact O-N 3.32Å; L7-V9 PolarHBondContact O-N 3.32Å; L7-L10 PolarHBondContact O-N 3.13Å; L7-C11 WeakPolarHBondContact O-CB 3.46Å; L7-C11 PolarHBondContact O-N 3.22Å; L7-C11 PolarHBondContact O-SG 3.13Å
8Q97.6Very high94.5Very high67 Ų6767.2 Ų67.231%0.31341%0.41SS..Hα-helixtrans-60.4-43.9177.2-72.7-176.718.700112.3G4 L5 C11 S12 C79G4-Q8 WeakPolarHBondContact O-CG 3.46Å; G4-Q8 PolarHBondContact O-N 2.97Å; L5-Q8 PolarHBondContact O-N 2.93Å; Q8-C11 PolarHBondContact O-N 3Å; Q8-S12 WeakPolarHBondContact O-CB 3.38Å; Q8-S12 PolarHBondContact O-N 3.37Å; Q8-C79 HydrophobicContact CB-CB 3.96Å
9V98.1Very high94.7Very high19 Ų1966.3 Ų66.312%0.11540%0.402CS..Hα-helixtrans-65.8-42.6178.1175.70000111.1L5 C6 L7 S12 L13 C79 L82 I86L5-V9 WeakPolarHBondContact O-CG2 3.21Å; L5-V9 PolarHBondContact O-N 3.4Å; C6-V9 PolarHBondContact O-N 2.62Å; L7-V9 PolarHBondContact O-N 3.32Å; V9-S12 WeakPolarHBondContact O-CB 3.49Å; V9-S12 PolarHBondContact O-N 2.98Å; V9-L13 WeakPolarHBondContact O-CB 3.42Å; V9-L13 PolarHBondContact O-N 3.39Å; V9-C79 HydrophobicContact CG2-CB 3.99Å; V9-L82 HydrophobicContact CG1-CB 4.49Å; V9-L82 HydrophobicContact CG1-CD2 4.12Å; V9-L82 HydrophobicContact CG1-CG 4.03Å; V9-L82 HydrophobicContact CG2-CB 4.47Å; V9-L82 HydrophobicContact CG2-CD2 3.84Å; V9-L82 HydrophobicContact CG2-CG 4.39Å; V9-I86 HydrophobicContact CG1-CD1 4.09Å
10L97.9Very high94.9Very high109 Ų10964.5 Ų64.557%0.57139%0.388SS*.Hα-helixtrans-65.5-41.6177-71.7172.2000112.1C6 L7 S12 L13 G14C6-L10 WeakPolarHBondContact O-CB 3.31Å; C6-L10 VanDerWaalsContact O-CG 3.23Å; C6-L10 WeakPolarHBondContact O-CG 3.42Å; C6-L10 PolarHBondContact O-N 2.96Å; L7-L10 PolarHBondContact O-N 3.13Å; L10-S12 VanDerWaalsContact C-N 3.34Å; L10-L13 PolarHBondContact O-N 3.14Å; L10-G14 PolarHBondContact O-N 3.5Å
11C98.2Very high95.1Very high92 Ų9264.3 Ų64.362%0.62239%0.388SS*.Hα-helixtrans-61.7-43.6173.3-73.10000111.2L7 Q8 G14 G15L7-C11 WeakPolarHBondContact O-CB 3.46Å; L7-C11 PolarHBondContact O-N 3.22Å; L7-C11 PolarHBondContact O-SG 3.13Å; Q8-C11 PolarHBondContact O-N 3Å; C11-G14 PolarHBondContact O-N 2.9Å; C11-G15 PolarHBondContact O-N 3.24Å
12S98.4Very high96.4Very high13 Ų1357.3 Ų57.39%0.09136%0.358CS..Hα-helixtrans-60.1-49.9174.9171.10000111.7Q8 V9 L10 G14 G15 W16 L80Q8-S12 WeakPolarHBondContact O-CB 3.38Å; Q8-S12 PolarHBondContact O-N 3.37Å; V9-S12 WeakPolarHBondContact O-CB 3.49Å; V9-S12 PolarHBondContact O-N 2.98Å; L10-S12 VanDerWaalsContact C-N 3.34Å; S12-G14 VanDerWaalsContact C-N 3.34Å; S12-G14 PolarHBondContact O-N 3.3Å; S12-G15 WeakPolarHBondContact O-CA 3.35Å; S12-G15 PolarHBondContact O-N 2.88Å; S12-G15 VanDerWaalsContact O-N 3.07Å; S12-W16 PolarHBondContact O-N 3.43Å; S12-W16 PolarHBondContact OG-NE1 2.96Å; S12-W16 VanDerWaalsContact OG-NE1 3.13Å; S12-L80 WeakPolarHBondContact OG-CA 3.17Å; S12-L80 PolarHBondContact OG-O 3.04Å
13L98.6Very high97.2Very high35 Ų3555.8 Ų55.818%0.18334%0.339CS..Hα-helixtrans-57.1-46.3177.1176.160.2000111.6V9 L10 G15 W16 L17 G83 I86 F87V9-L13 WeakPolarHBondContact O-CB 3.42Å; V9-L13 PolarHBondContact O-N 3.39Å; L10-L13 PolarHBondContact O-N 3.14Å; L13-G15 VanDerWaalsContact C-N 3.29Å; L13-G15 PolarHBondContact O-N 2.9Å; L13-W16 PolarHBondContact O-N 3.42Å; L13-L17 HydrophobicContact CD1-CD1 4.16Å; L13-L17 HydrophobicContact CD1-CG 4.38Å; L13-L17 HydrophobicContact CG-CD1 4.06Å; L13-L17 WeakPolarHBondContact O-CB 3.46Å; L13-L17 WeakPolarHBondContact O-CG 3.46Å; L13-L17 PolarHBondContact O-N 3.22Å; L13-G83 WeakPolarHBondContact CD1-O 3.44Å; L13-I86 HydrophobicContact CD1-CG2 4.22Å; L13-I86 HydrophobicContact CD2-CG2 4.19Å; L13-F87 HydrophobicContact CD1-CB 3.74Å
14G98.5Very high97.6Very high31 Ų3150.6 Ų50.632%0.3231%0.313SS..Hα-helixtrans-61.1-37.3175.100000112.6L10 C11 S12 S18L10-G14 PolarHBondContact O-N 3.5Å; C11-G14 PolarHBondContact O-N 2.9Å; S12-G14 VanDerWaalsContact C-N 3.34Å; S12-G14 PolarHBondContact O-N 3.3Å; G14-S18 VanDerWaalsContact O-CB 3.27Å; G14-S18 WeakPolarHBondContact O-CB 3.36Å; G14-S18 PolarHBondContact O-N 3.12Å; G14-S18 PolarHBondContact O-OG 2.77Å
15G98.6Very high97.8Very high40 Ų4057.5 Ų57.541%0.41233%0.328SS..Hα-helixtrans-63.2-47.3173.400000112.6C11 S12 L13 S18 L19C11-G15 PolarHBondContact O-N 3.24Å; S12-G15 WeakPolarHBondContact O-CA 3.35Å; S12-G15 PolarHBondContact O-N 2.88Å; S12-G15 VanDerWaalsContact O-N 3.07Å; L13-G15 VanDerWaalsContact C-N 3.29Å; L13-G15 PolarHBondContact O-N 2.9Å; G15-S18 PolarHBondContact O-N 3.32Å; G15-L19 PolarHBondContact O-N 3.1Å
16W98.6Very high97.9Very high12 Ų1262.3 Ų62.35%0.04535%0.353CS..Hα-helixtrans-65.1-41178.2-66.4120.6000112.9S12 L13 S18 L19 Y20 V39 T42 H43 L46 L80 Y84 F87S12-W16 PolarHBondContact O-N 3.43Å; S12-W16 PolarHBondContact OG-NE1 2.96Å; S12-W16 VanDerWaalsContact OG-NE1 3.13Å; L13-W16 PolarHBondContact O-N 3.42Å; W16-S18 VanDerWaalsContact C-N 3.33Å; W16-S18 PolarHBondContact O-N 3.17Å; W16-L19 HydrophobicContact CE3-CD2 3.92Å; W16-L19 HydrophobicContact CZ3-CD2 3.82Å; W16-L19 PolarHBondContact O-N 2.66Å; W16-Y20 WeakPolarHBondContact O-CB 3.39Å; W16-Y20 PolarHBondContact O-N 2.76Å; W16-V39 HydrophobicContact CD2-CG1 4.48Å; W16-V39 HydrophobicContact CE3-CG1 3.65Å; W16-V39 HydrophobicContact CZ3-CG1 4.19Å; W16-T42 HydrophobicContact CZ3-CG2 4.38Å; W16-H43 HydrophobicContact CH2-CB 3.73Å; W16-H43 AromaticContact CH2-ND1 3.99Å; W16-H43 HydrophobicContact CZ2-CB 4.19Å; W16-H43 AromaticContact CZ2-ND1 3.61Å; W16-H43 HydrophobicContact CZ3-CB 4.1Å; W16-L46 HydrophobicContact CH2-CD1 4.07Å; W16-L80 HydrophobicContact CZ2-CD1 3.86Å; W16-L80 HydrophobicContact CZ2-CG 4.11Å; W16-L80 PolarHBondContact NE1-O 3.06Å; W16-Y84 VanDerWaalsContact CD1-CA 3.45Å; W16-Y84 VanDerWaalsContact CD1-N 3.28Å; W16-Y84 HydrophobicContact CD2-CD2 4.33Å; W16-F87 HydrophobicContact CB-CB 4.4Å; W16-F87 HydrophobicContact CB-CG 4.34Å
17L98.4Very high98Very high79 Ų7961 Ų6141%0.41434%0.341SS..Hα-helixtrans-62.2-41.4172.7-75.3166000111.9L13 L19 Y20 T21 F87L13-L17 HydrophobicContact CD1-CD1 4.16Å; L13-L17 HydrophobicContact CD1-CG 4.38Å; L13-L17 HydrophobicContact CG-CD1 4.06Å; L13-L17 WeakPolarHBondContact O-CB 3.46Å; L13-L17 WeakPolarHBondContact O-CG 3.46Å; L13-L17 PolarHBondContact O-N 3.22Å; L17-L19 VanDerWaalsContact C-N 3.34Å; L17-Y20 PolarHBondContact O-N 3.14Å; L17-T21 WeakPolarHBondContact O-CG2 3.47Å; L17-T21 PolarHBondContact O-N 3.34Å; L17-T21 PolarHBondContact O-OG1 2.81Å; L17-T21 VanDerWaalsContact O-OG1 3.06Å; L17-F87 HydrophobicContact CD2-CD2 3.67Å; L17-F87 HydrophobicContact CD2-CE2 3.99Å; L17-F87 HydrophobicContact CG-CD2 4.14Å
18S98.4Very high97.9Very high68 Ų6864.2 Ų64.248%0.47635%0.351SS..Hα-helixtrans-65.7-38.6177.1-59.40000111.5G14 G15 W16 T21 S22G14-S18 VanDerWaalsContact O-CB 3.27Å; G14-S18 WeakPolarHBondContact O-CB 3.36Å; G14-S18 PolarHBondContact O-N 3.12Å; G14-S18 PolarHBondContact O-OG 2.77Å; G15-S18 PolarHBondContact O-N 3.32Å; W16-S18 VanDerWaalsContact C-N 3.33Å; W16-S18 PolarHBondContact O-N 3.17Å; S18-T21 WeakPolarHBondContact CA-OG1 3.45Å; S18-T21 PolarHBondContact O-OG1 3.22Å; S18-S22 WeakPolarHBondContact O-CB 3.34Å; S18-S22 PolarHBondContact O-N 3.42Å; S18-S22 PolarHBondContact O-OG 3.44Å
19L98.6Very high97.7Very high49 Ų4970.4 Ų70.426%0.25738%0.379SS..Hα-helixtrans-65.9-46.2174.2-174.464.7000111.4G15 W16 L17 T21 S22 F23 V39 T42G15-L19 PolarHBondContact O-N 3.1Å; W16-L19 HydrophobicContact CE3-CD2 3.92Å; W16-L19 HydrophobicContact CZ3-CD2 3.82Å; W16-L19 PolarHBondContact O-N 2.66Å; L17-L19 VanDerWaalsContact C-N 3.34Å; L19-T21 PolarHBondContact O-N 3.32Å; L19-S22 WeakPolarHBondContact O-CB 3.29Å; L19-S22 PolarHBondContact O-N 2.93Å; L19-F23 HydrophobicContact CD1-CD2 4.42Å; L19-F23 HydrophobicContact CD1-CE1 4.17Å; L19-F23 HydrophobicContact CD1-CE2 3.85Å; L19-F23 HydrophobicContact CD1-CZ 3.71Å; L19-F23 HydrophobicContact CD2-CE2 3.93Å; L19-F23 HydrophobicContact CD2-CZ 4.36Å; L19-F23 HydrophobicContact CG-CD2 4.07Å; L19-F23 HydrophobicContact CG-CE2 3.64Å; L19-F23 HydrophobicContact CG-CZ 4.04Å; L19-F23 PolarHBondContact O-N 3.33Å; L19-V39 HydrophobicContact CD2-CG2 4.3Å; L19-V39 HydrophobicContact CG-CG2 4.21Å; L19-T42 HydrophobicContact CD2-CG2 4.04Å
20Y98.5Very high97.6Very high30 Ų3074.8 Ų74.812%0.11839%0.394CS..Hα-helixtrans-56.4-51.3176.1173.1-112.4000111.8W16 L17 S22 F23 C24 C36 V39 F87 W91W16-Y20 WeakPolarHBondContact O-CB 3.39Å; W16-Y20 PolarHBondContact O-N 2.76Å; L17-Y20 PolarHBondContact O-N 3.14Å; Y20-S22 VanDerWaalsContact C-N 3.27Å; Y20-S22 PolarHBondContact O-N 3.46Å; Y20-F23 PolarHBondContact O-N 3.5Å; Y20-C24 VanDerWaalsContact CZ-SG 3.55Å; Y20-C24 PolarHBondContact O-N 3.28Å; Y20-C24 PolarHBondContact O-SG 3.28Å; Y20-C36 HydrophobicContact CD2-CB 4.37Å; Y20-C36 HydrophobicContact CE2-CB 4.01Å; Y20-V39 HydrophobicContact CD2-CG2 4.43Å; Y20-F87 HydrophobicContact CD1-CE2 4.18Å; Y20-F87 HydrophobicContact CD1-CZ 4.42Å; Y20-F87 HydrophobicContact CD2-CE2 4.49Å; Y20-F87 AromaticContact CD2-CZ 3.93Å; Y20-F87 HydrophobicContact CD2-CZ 3.93Å; Y20-F87 AromaticContact CG-CE2 3.93Å; Y20-F87 HydrophobicContact CG-CE2 3.93Å; Y20-F87 AromaticContact CG-CZ 3.77Å; Y20-F87 HydrophobicContact CG-CZ 3.77Å; Y20-W91 AromaticContact CE2-NE1 3.87Å; Y20-W91 AromaticContact CZ-NE1 3.71Å; Y20-W91 PolarHBondContact OH-NE1 2.9Å
21T98.1Very high97.5Very high62 Ų6271.9 Ų71.938%0.3838%0.383SS..Hα-helixtrans-62.2-36.3178.953.30000112.1L17 S18 L19 C24 R25L17-T21 WeakPolarHBondContact O-CG2 3.47Å; L17-T21 PolarHBondContact O-N 3.34Å; L17-T21 PolarHBondContact O-OG1 2.81Å; L17-T21 VanDerWaalsContact O-OG1 3.06Å; S18-T21 WeakPolarHBondContact CA-OG1 3.45Å; S18-T21 PolarHBondContact O-OG1 3.22Å; L19-T21 PolarHBondContact O-N 3.32Å; T21-C24 PolarHBondContact O-N 3.38Å; T21-R25 VanDerWaalsContact O-CG 3.3Å; T21-R25 WeakPolarHBondContact O-CG 3.28Å; T21-R25 PolarHBondContact O-N 2.95Å
22S98.3Very high97.4Very high53 Ų5374.7 Ų74.737%0.37138%0.382SS..Hα-helixtrans-64-46.6173.8-60.30000111.5S18 L19 Y20 C24 R25 L26S18-S22 WeakPolarHBondContact O-CB 3.34Å; S18-S22 PolarHBondContact O-N 3.42Å; S18-S22 PolarHBondContact O-OG 3.44Å; L19-S22 WeakPolarHBondContact O-CB 3.29Å; L19-S22 PolarHBondContact O-N 2.93Å; Y20-S22 VanDerWaalsContact C-N 3.27Å; Y20-S22 PolarHBondContact O-N 3.46Å; S22-C24 VanDerWaalsContact C-N 3.35Å; S22-C24 PolarHBondContact O-N 3.16Å; S22-R25 PolarHBondContact O-N 3.03Å; S22-R25 VanDerWaalsContact O-N 3.14Å; S22-L26 WeakPolarHBondContact O-CG 3.35Å; S22-L26 PolarHBondContact O-N 3.05Å
23F98.2Very high97.4Very high40 Ų4076.7 Ų76.718%0.17539%0.389CS..Hα-helixtrans-62.6-39175.4-72.3-29.5000112.9L19 Y20 R25 L26 N27 S35 L38 V39L19-F23 HydrophobicContact CD1-CD2 4.42Å; L19-F23 HydrophobicContact CD1-CE1 4.17Å; L19-F23 HydrophobicContact CD1-CE2 3.85Å; L19-F23 HydrophobicContact CD1-CZ 3.71Å; L19-F23 HydrophobicContact CD2-CE2 3.93Å; L19-F23 HydrophobicContact CD2-CZ 4.36Å; L19-F23 HydrophobicContact CG-CD2 4.07Å; L19-F23 HydrophobicContact CG-CE2 3.64Å; L19-F23 HydrophobicContact CG-CZ 4.04Å; L19-F23 PolarHBondContact O-N 3.33Å; Y20-F23 PolarHBondContact O-N 3.5Å; F23-R25 VanDerWaalsContact C-N 3.29Å; F23-R25 PolarHBondContact O-N 3.28Å; F23-L26 PolarHBondContact O-N 2.79Å; F23-N27 WeakPolarHBondContact O-CB 3.32Å; F23-N27 PolarHBondContact O-N 2.96Å; F23-N27 PolarHBondContact O-ND2 2.86Å; F23-S35 PolarHBondContact O-OG 2.95Å; F23-L38 HydrophobicContact CB-CD1 4.41Å; F23-L38 HydrophobicContact CD1-CD1 4.31Å; F23-L38 HydrophobicContact CD2-CB 3.54Å; F23-L38 HydrophobicContact CD2-CD1 4.34Å; F23-L38 HydrophobicContact CE2-CB 3.62Å; F23-L38 HydrophobicContact CG-CB 4.17Å; F23-L38 HydrophobicContact CG-CD1 4.13Å; F23-L38 HydrophobicContact CZ-CB 4.3Å; F23-V39 HydrophobicContact CD2-CG2 3.73Å; F23-V39 HydrophobicContact CE2-CG2 4.08Å
24C97.8Very high97.3Very high23 Ų2376.4 Ų76.416%0.15539%0.386CS..Hα-helixtrans-59.6-41172.9-69.80000111.8Y20 T21 S22 K28 S35Y20-C24 VanDerWaalsContact CZ-SG 3.55Å; Y20-C24 PolarHBondContact O-N 3.28Å; Y20-C24 PolarHBondContact O-SG 3.28Å; T21-C24 PolarHBondContact O-N 3.38Å; S22-C24 VanDerWaalsContact C-N 3.35Å; S22-C24 PolarHBondContact O-N 3.16Å; C24-K28 PolarHBondContact O-N 3.39Å; C24-S35 WeakPolarHBondContact CA-OG 3.43Å; C24-S35 PolarHBondContact N-OG 3.48Å; C24-S35 WeakPolarHBondContact SG-CB 3.37Å
25R97.3Very high97.3Very high181 Ų18175 Ų7568%0.68337%0.371SS*.Hα-helixtrans-71.6-33.4178.4-72.5173.7-177.21802.7113.2T21 S22 F23 K28T21-R25 VanDerWaalsContact O-CG 3.3Å; T21-R25 WeakPolarHBondContact O-CG 3.28Å; T21-R25 PolarHBondContact O-N 2.95Å; S22-R25 PolarHBondContact O-N 3.03Å; S22-R25 VanDerWaalsContact O-N 3.14Å; F23-R25 VanDerWaalsContact C-N 3.29Å; F23-R25 PolarHBondContact O-N 3.28Å; R25-K28 WeakPolarHBondContact O-CE 3.43Å; R25-K28 WeakPolarHBondContact O-CG 3.21Å
26L97.3Very high97.3Very high137 Ų13773.3 Ų73.372%0.71735%0.353SS*.Hα-helixtrans-78.9-31.9178.2-68172.6000111.9S22 F23S22-L26 WeakPolarHBondContact O-CG 3.35Å; S22-L26 PolarHBondContact O-N 3.05Å; F23-L26 PolarHBondContact O-N 2.79Å
27N95.8Very high97.3Very high46 Ų4673.9 Ų73.925%0.24636%0.355CS..  trans-110.946.6-176.6-59.7-83.4000112F23 H29 R30F23-N27 WeakPolarHBondContact O-CB 3.32Å; F23-N27 PolarHBondContact O-N 2.96Å; F23-N27 PolarHBondContact O-ND2 2.86Å; N27-H29 PolarHBondContact O-N 2.99Å; N27-R30 HydrophobicContact CB-CB 4.14Å; N27-R30 HydrophobicContact CB-CG 4.19Å; N27-R30 PolarHBondContact O-N 2.89Å
28K94Very high97.2Very high163 Ų16372 Ų7271%0.70935%0.345SS*.THydrogen-bonded Turntrans-57.1-22.5-175.3-60.1-176.2-177.7175.60114.8C24 R25C24-K28 PolarHBondContact O-N 3.39Å; R25-K28 WeakPolarHBondContact O-CE 3.43Å; R25-K28 WeakPolarHBondContact O-CG 3.21Å
29H94.6Very high97.2Very high196 Ų19668.7 Ų68.791%0.90732%0.322SS*.THydrogen-bonded Turntrans-87.7-3.6178.9-56.6-65.9000113.5N27N27-H29 PolarHBondContact O-N 2.99Å
30R95.9Very high97.2Very high111 Ų11166.6 Ų66.642%0.41931%0.311SS..SBendtrans-106.4165.5179.1-62.3-66.2-172.9173.3-2110.5N27 W34N27-R30 HydrophobicContact CB-CB 4.14Å; N27-R30 HydrophobicContact CB-CG 4.19Å; N27-R30 PolarHBondContact O-N 2.89Å; R30-W34 HydrophobicContact CB-CB 3.71Å; R30-W34 HydrophobicContact CB-CD2 4.06Å; R30-W34 HydrophobicContact CB-CG 3.61Å; R30-W34 HydrophobicContact CG-CB 4.49Å; R30-W34 HydrophobicContact CG-CD2 3.86Å; R30-W34 HydrophobicContact CG-CE3 4.35Å; R30-W34 HydrophobicContact CG-CG 3.9Å
31S95.9Very high97.2Very high49 Ų4968.8 Ų68.834%0.34332%0.322SS..  trans-66159.9175.364.40000111.9E33 W34S31-E33 PolarHBondContact O-N 3.41Å; S31-W34 VanDerWaalsContact O-CB 3.27Å; S31-W34 WeakPolarHBondContact O-CB 3.21Å; S31-W34 PolarHBondContact O-N 3.44Å; S31-W34 VanDerWaalsContact O-N 3.17Å; S31-W34 PolarHBondContact OG-N 3.14Å
32Y96.5Very high97.2Very high151 Ų15167.8 Ų67.859%0.59232%0.315SS*.Hα-helixtrans-60.5-34.5170.3-69.7-61.9000112.1W34 S35 C36Y32-W34 VanDerWaalsContact C-N 3.31Å; Y32-W34 PolarHBondContact O-N 3.44Å; Y32-S35 PolarHBondContact O-N 3.22Å; Y32-C36 PolarHBondContact O-N 3.32Å
33E97.2Very high97.2Very high54 Ų5465.2 Ų65.225%0.25230%0.298SS..Hα-helixtrans-59.4-41.2174.3-173.9172.217600111.6S31 S35 C36 R37 W91 W144S31-E33 PolarHBondContact O-N 3.41Å; E33-S35 VanDerWaalsContact C-N 3.26Å; E33-S35 PolarHBondContact O-N 3.29Å; E33-C36 WeakPolarHBondContact O-CB 3.42Å; E33-C36 PolarHBondContact O-N 2.92Å; E33-C36 VanDerWaalsContact O-N 3.08Å; E33-R37 HydrophobicContact CG-CG 3.89Å; E33-R37 WeakPolarHBondContact O-CB 3.29Å; E33-R37 WeakPolarHBondContact O-CG 3.46Å; E33-R37 PolarHBondContact O-N 3.04Å; E33-R37 IonicContact OE1-CZ 3.61Å; E33-R37 IonicContact OE1-NE 3.36Å; E33-R37 PolarHBondContact OE1-NE 3.16Å; E33-R37 IonicContact OE1-NH2 2.8Å; E33-R37 PolarHBondContact OE1-NH2 3.06Å; E33-W91 HydrophobicContact CB-CH2 3.66Å; E33-W91 HydrophobicContact CB-CZ2 4.06Å; E33-W91 HydrophobicContact CG-CH2 3.65Å; E33-W91 HydrophobicContact CG-CZ2 4.46Å; E33-W91 HydrophobicContact CG-CZ3 4.33Å; E33-W144 HydrophobicContact CB-CH2 4.48Å; E33-W144 HydrophobicContact CB-CZ2 4.08Å; E33-W144 HydrophobicContact CG-CH2 4.23Å; E33-W144 HydrophobicContact CG-CZ2 3.55Å; E33-W144 PolarHBondContact OE1-NE1 3.46Å
34W97.8Very high97.2Very high30 Ų3063.3 Ų63.311%0.11429%0.289CS..Hα-helixtrans-52.8-46.1175.5-179.2-79.7000112.3R30 S31 Y32 R37 L38 W144 F145 E148 T149R30-W34 HydrophobicContact CB-CB 3.71Å; R30-W34 HydrophobicContact CB-CD2 4.06Å; R30-W34 HydrophobicContact CB-CG 3.61Å; R30-W34 HydrophobicContact CG-CB 4.49Å; R30-W34 HydrophobicContact CG-CD2 3.86Å; R30-W34 HydrophobicContact CG-CE3 4.35Å; R30-W34 HydrophobicContact CG-CG 3.9Å; S31-W34 VanDerWaalsContact O-CB 3.27Å; S31-W34 WeakPolarHBondContact O-CB 3.21Å; S31-W34 PolarHBondContact O-N 3.44Å; S31-W34 VanDerWaalsContact O-N 3.17Å; S31-W34 PolarHBondContact OG-N 3.14Å; Y32-W34 VanDerWaalsContact C-N 3.31Å; Y32-W34 PolarHBondContact O-N 3.44Å; W34-R37 PolarHBondContact O-N 2.87Å; W34-L38 WeakPolarHBondContact O-CG 3.31Å; W34-L38 PolarHBondContact O-N 3.36Å; W34-W144 HydrophobicContact CB-CH2 4.11Å; W34-W144 HydrophobicContact CB-CZ3 4.33Å; W34-W144 HydrophobicContact CD2-CZ3 4.29Å; W34-W144 HydrophobicContact CE3-CH2 4.13Å; W34-W144 AromaticContact CE3-CZ3 3.69Å; W34-W144 HydrophobicContact CE3-CZ3 3.69Å; W34-W144 HydrophobicContact CZ3-CZ3 4.34Å; W34-F145 HydrophobicContact CD2-CD1 4.07Å; W34-F145 AromaticContact CD2-CE1 3.81Å; W34-F145 HydrophobicContact CD2-CE1 3.81Å; W34-F145 AromaticContact CE2-CE1 3.86Å; W34-F145 AromaticContact CE3-CD1 3.84Å; W34-F145 HydrophobicContact CE3-CD1 3.84Å; W34-F145 HydrophobicContact CE3-CE1 4.03Å; W34-F145 HydrophobicContact CG-CE1 4.28Å; W34-F145 AromaticContact CH2-CD1 3.72Å; W34-F145 HydrophobicContact CH2-CD1 3.72Å; W34-F145 HydrophobicContact CH2-CE1 4.3Å; W34-F145 AromaticContact CZ2-CD1 3.96Å; W34-F145 HydrophobicContact CZ2-CD1 3.96Å; W34-F145 HydrophobicContact CZ2-CE1 4.11Å; W34-F145 AromaticContact CZ3-CD1 3.66Å; W34-F145 HydrophobicContact CZ3-CD1 3.66Å; W34-F145 HydrophobicContact CZ3-CE1 4.27Å; W34-E148 HydrophobicContact CE3-CB 4.44Å; W34-E148 HydrophobicContact CE3-CG 3.74Å; W34-E148 HydrophobicContact CZ3-CB 4.13Å; W34-E148 HydrophobicContact CZ3-CG 3.75Å; W34-T149 HydrophobicContact CH2-CG2 3.87Å; W34-T149 HydrophobicContact CZ3-CG2 4.01Å
35S98.1Very high97.2Very high2 Ų265.7 Ų65.71%0.01430%0.303CS..Hα-helixtrans-69.1-37-179.8-60.40000111.8F23 C24 Y32 E33 L38 V39F23-S35 PolarHBondContact O-OG 2.95Å; C24-S35 WeakPolarHBondContact CA-OG 3.43Å; C24-S35 PolarHBondContact N-OG 3.48Å; C24-S35 WeakPolarHBondContact SG-CB 3.37Å; Y32-S35 PolarHBondContact O-N 3.22Å; E33-S35 VanDerWaalsContact C-N 3.26Å; E33-S35 PolarHBondContact O-N 3.29Å; S35-L38 PolarHBondContact O-N 2.92Å; S35-V39 WeakPolarHBondContact O-CG2 3.32Å; S35-V39 PolarHBondContact O-N 3.48Å
36C97.9Very high97.2Very high3 Ų360.8 Ų60.82%0.0229%0.29CS..Hα-helixtrans-62.9-47.7173-172.50000111.4Y20 Y32 E33 L38 V39 T40 W91Y20-C36 HydrophobicContact CD2-CB 4.37Å; Y20-C36 HydrophobicContact CE2-CB 4.01Å; Y32-C36 PolarHBondContact O-N 3.32Å; E33-C36 WeakPolarHBondContact O-CB 3.42Å; E33-C36 PolarHBondContact O-N 2.92Å; E33-C36 VanDerWaalsContact O-N 3.08Å; C36-L38 PolarHBondContact O-N 2.88Å; C36-V39 CarbonylContact O-C 3.59Å; C36-V39 WeakPolarHBondContact O-CA 3.28Å; C36-V39 VanDerWaalsContact O-CB 3.32Å; C36-V39 WeakPolarHBondContact O-CB 3.24Å; C36-V39 PolarHBondContact O-N 2.88Å; C36-T40 PolarHBondContact O-N 3.24Å; C36-T40 PolarHBondContact O-OG1 2.98Å; C36-W91 HydrophobicContact CB-CD2 3.88Å; C36-W91 HydrophobicContact CB-CE3 4.24Å; C36-W91 HydrophobicContact CB-CG 4.42Å; C36-W91 HydrophobicContact CB-CH2 4.18Å; C36-W91 HydrophobicContact CB-CZ2 3.76Å; C36-W91 HydrophobicContact CB-CZ3 4.34Å; C36-W91 VanDerWaalsContact SG-CE3 3.58Å
37R97.9Very high97.2Very high24 Ų2454.3 Ų54.39%0.09126%0.256CS..Hα-helixtrans-60.3-33.1178.1-62.4-76179.8-162.26.4112.2E33 W34 T40 F41 E98 W144 F145E33-R37 HydrophobicContact CG-CG 3.89Å; E33-R37 WeakPolarHBondContact O-CB 3.29Å; E33-R37 WeakPolarHBondContact O-CG 3.46Å; E33-R37 PolarHBondContact O-N 3.04Å; E33-R37 IonicContact OE1-CZ 3.61Å; E33-R37 IonicContact OE1-NE 3.36Å; E33-R37 PolarHBondContact OE1-NE 3.16Å; E33-R37 IonicContact OE1-NH2 2.8Å; E33-R37 PolarHBondContact OE1-NH2 3.06Å; W34-R37 PolarHBondContact O-N 2.87Å; R37-T40 PolarHBondContact O-N 2.93Å; R37-F41 WeakPolarHBondContact O-CB 3.42Å; R37-F41 PolarHBondContact O-N 3.46Å; R37-E98 IonicContact CZ-OE1 2.62Å; R37-E98 IonicContact NH1-OE1 3.19Å; R37-E98 PolarHBondContact NH1-OE1 3.38Å; R37-E98 IonicContact NH2-OE1 3.84Å; R37-E98 PolarHBondContact NH2-OE1 3.38Å; R37-W144 HydrophobicContact CB-CE3 4.13Å; R37-W144 HydrophobicContact CB-CZ3 4.29Å; R37-W144 HydrophobicContact CG-CD2 3.86Å; R37-W144 HydrophobicContact CG-CE3 3.84Å; R37-W144 HydrophobicContact CG-CG 4.43Å; R37-W144 HydrophobicContact CG-CH2 4.3Å; R37-W144 HydrophobicContact CG-CZ2 4.28Å; R37-W144 HydrophobicContact CG-CZ3 4.07Å; R37-F145 HydrophobicContact CB-CE1 4.06Å; R37-F145 HydrophobicContact CB-CE2 4.33Å; R37-F145 HydrophobicContact CB-CZ 3.64Å
38L98.3Very high97.3Very high39 Ų3953.7 Ų53.720%0.20425%0.252CS..Hα-helixtrans-67-39.2171.5-75.6175.7000112.3F23 W34 S35 C36 F41 T42 F145F23-L38 HydrophobicContact CB-CD1 4.41Å; F23-L38 HydrophobicContact CD1-CD1 4.31Å; F23-L38 HydrophobicContact CD2-CB 3.54Å; F23-L38 HydrophobicContact CD2-CD1 4.34Å; F23-L38 HydrophobicContact CE2-CB 3.62Å; F23-L38 HydrophobicContact CG-CB 4.17Å; F23-L38 HydrophobicContact CG-CD1 4.13Å; F23-L38 HydrophobicContact CZ-CB 4.3Å; W34-L38 WeakPolarHBondContact O-CG 3.31Å; W34-L38 PolarHBondContact O-N 3.36Å; S35-L38 PolarHBondContact O-N 2.92Å; C36-L38 PolarHBondContact O-N 2.88Å; L38-F41 PolarHBondContact O-N 3.1Å; L38-T42 WeakPolarHBondContact O-CB 3.41Å; L38-T42 PolarHBondContact O-N 2.8Å; L38-T42 PolarHBondContact O-OG1 3.45Å; L38-F145 HydrophobicContact CD2-CE1 4.29Å; L38-F145 HydrophobicContact CD2-CE2 4.34Å; L38-F145 HydrophobicContact CD2-CZ 3.71Å; L38-F145 HydrophobicContact CG-CE1 4.29Å; L38-F145 HydrophobicContact CG-CZ 3.87Å
39V98.5Very high97.4Very high0 Ų048 Ų480%024%0.24CC..Hα-helixtrans-63.1-48.8172.5177.20000110.3W16 L19 Y20 F23 S35 C36 F41 T42 H43 Y84 F87W16-V39 HydrophobicContact CD2-CG1 4.48Å; W16-V39 HydrophobicContact CE3-CG1 3.65Å; W16-V39 HydrophobicContact CZ3-CG1 4.19Å; L19-V39 HydrophobicContact CD2-CG2 4.3Å; L19-V39 HydrophobicContact CG-CG2 4.21Å; Y20-V39 HydrophobicContact CD2-CG2 4.43Å; F23-V39 HydrophobicContact CD2-CG2 3.73Å; F23-V39 HydrophobicContact CE2-CG2 4.08Å; S35-V39 WeakPolarHBondContact O-CG2 3.32Å; S35-V39 PolarHBondContact O-N 3.48Å; C36-V39 CarbonylContact O-C 3.59Å; C36-V39 WeakPolarHBondContact O-CA 3.28Å; C36-V39 VanDerWaalsContact O-CB 3.32Å; C36-V39 WeakPolarHBondContact O-CB 3.24Å; C36-V39 PolarHBondContact O-N 2.88Å; V39-F41 VanDerWaalsContact C-N 3.31Å; V39-F41 PolarHBondContact O-N 2.62Å; V39-T42 WeakPolarHBondContact O-CB 3.4Å; V39-T42 PolarHBondContact O-N 3.11Å; V39-T42 VanDerWaalsContact O-N 3.15Å; V39-H43 PolarHBondContact O-N 3.13Å; V39-Y84 HydrophobicContact CG1-CD2 4.25Å; V39-Y84 HydrophobicContact CG1-CE2 4.18Å; V39-F87 HydrophobicContact CB-CE1 4.17Å; V39-F87 HydrophobicContact CG1-CD1 4.22Å; V39-F87 HydrophobicContact CG1-CE1 3.73Å; V39-F87 HydrophobicContact CG1-CZ 4.47Å
40T97.9Very high97.6Very high5 Ų541.6 Ų41.63%0.03121%0.212CC..Hα-helixtrans-56.4-44.2176.1-510000112C36 R37 H43 G44 Y84 D88 N137 Q141C36-T40 PolarHBondContact O-N 3.24Å; C36-T40 PolarHBondContact O-OG1 2.98Å; R37-T40 PolarHBondContact O-N 2.93Å; T40-H43 PolarHBondContact O-N 3.29Å; T40-G44 PolarHBondContact O-N 3.46Å; T40-Y84 WeakPolarHBondContact CA-OH 3.3Å; T40-Y84 WeakPolarHBondContact CB-OH 3.49Å; T40-Y84 WeakPolarHBondContact CG2-OH 3.3Å; T40-Y84 PolarHBondContact OG1-OH 3.44Å; T40-D88 PolarHBondContact OG1-OD1 3.08Å; T40-N137 WeakPolarHBondContact CG2-ND2 3.45Å; T40-Q141 VanDerWaalsContact CG2-CD 3.45Å; T40-Q141 HydrophobicContact CG2-CG 3.89Å
41F98.3Very high97.6Very high75 Ų7536.4 Ų36.433%0.32919%0.192SC..Hα-helixtrans-62.7-45.1176.5-179.4-92.8000111.7R37 L38 V39 G44 V45 P138 Q141R37-F41 WeakPolarHBondContact O-CB 3.42Å; R37-F41 PolarHBondContact O-N 3.46Å; L38-F41 PolarHBondContact O-N 3.1Å; V39-F41 VanDerWaalsContact C-N 3.31Å; V39-F41 PolarHBondContact O-N 2.62Å; F41-G44 PolarHBondContact O-N 3.11Å; F41-V45 HydrophobicContact CD1-CG2 4.32Å; F41-V45 HydrophobicContact CE1-CG2 3.91Å; F41-V45 HydrophobicContact CE2-CG2 4.49Å; F41-V45 HydrophobicContact CZ-CG2 4.01Å; F41-V45 WeakPolarHBondContact O-CG2 3.47Å; F41-V45 PolarHBondContact O-N 3.1Å; F41-P138 HydrophobicContact CD2-CB 4.06Å; F41-P138 HydrophobicContact CE2-CB 3.78Å; F41-Q141 HydrophobicContact CB-CB 4.13Å; F41-Q141 HydrophobicContact CB-CG 4.14Å; F41-Q141 HydrophobicContact CD2-CB 4.03Å
42T98.2Very high97.6Very high41 Ų4135.1 Ų35.125%0.25219%0.185SC..Hα-helixtrans-61.9-45.9178.4-56.20000110.9W16 L19 L38 V39 V45 L46W16-T42 HydrophobicContact CZ3-CG2 4.38Å; L19-T42 HydrophobicContact CD2-CG2 4.04Å; L38-T42 WeakPolarHBondContact O-CB 3.41Å; L38-T42 PolarHBondContact O-N 2.8Å; L38-T42 PolarHBondContact O-OG1 3.45Å; V39-T42 WeakPolarHBondContact O-CB 3.4Å; V39-T42 PolarHBondContact O-N 3.11Å; V39-T42 VanDerWaalsContact O-N 3.15Å; T42-V45 PolarHBondContact O-N 2.89Å; T42-L46 HydrophobicContact CG2-CD1 3.98Å; T42-L46 WeakPolarHBondContact O-CB 3.46Å; T42-L46 VanDerWaalsContact O-CG 3.31Å; T42-L46 WeakPolarHBondContact O-CG 3.31Å; T42-L46 PolarHBondContact O-N 2.89Å
43H98.3Very high97.7Very high0 Ų033.7 Ų33.70%018%0.18CC..Hα-helixtrans-57.4-52173.617475.8000111.4W16 V39 T40 V45 L46 S47 Y84W16-H43 HydrophobicContact CH2-CB 3.73Å; W16-H43 AromaticContact CH2-ND1 3.99Å; W16-H43 HydrophobicContact CZ2-CB 4.19Å; W16-H43 AromaticContact CZ2-ND1 3.61Å; W16-H43 HydrophobicContact CZ3-CB 4.1Å; V39-H43 PolarHBondContact O-N 3.13Å; T40-H43 PolarHBondContact O-N 3.29Å; H43-V45 VanDerWaalsContact C-N 3.34Å; H43-V45 PolarHBondContact O-N 3.05Å; H43-L46 PolarHBondContact O-N 3.4Å; H43-S47 PolarHBondContact CE1-OG 3.02Å; H43-S47 PolarHBondContact ND1-OG 3.47Å; H43-S47 PolarHBondContact NE2-OG 3.33Å; H43-S47 VanDerWaalsContact O-CB 3.29Å; H43-S47 WeakPolarHBondContact O-CB 3.48Å; H43-S47 PolarHBondContact O-N 3.31Å; H43-S47 PolarHBondContact O-OG 3.19Å; H43-S47 VanDerWaalsContact O-OG 3.07Å; H43-Y84 HydrophobicContact CB-CD1 4.06Å; H43-Y84 HydrophobicContact CB-CD2 3.66Å; H43-Y84 HydrophobicContact CB-CE1 4.13Å; H43-Y84 HydrophobicContact CB-CE2 3.8Å; H43-Y84 HydrophobicContact CB-CG 3.81Å; H43-Y84 AromaticContact CD2-CD1 3.12Å; H43-Y84 WeakPolarHBondContact CD2-CD1 3.44Å; H43-Y84 AromaticContact CD2-CE1 3.2Å; H43-Y84 WeakPolarHBondContact CD2-CE1 3.33Å; H43-Y84 AromaticContact CD2-CG 3.75Å; H43-Y84 AromaticContact CD2-CZ 3.92Å; H43-Y84 AromaticContact CE1-CD1 3.43Å; H43-Y84 VanDerWaalsContact CE1-CD1 3.43Å; H43-Y84 WeakPolarHBondContact CE1-CD1 3.49Å; H43-Y84 AromaticContact CE1-CG 3.74Å; H43-Y84 AromaticContact CG-CD1 3.23Å; H43-Y84 AromaticContact CG-CD2 3.71Å; H43-Y84 AromaticContact CG-CE1 3.57Å; H43-Y84 AromaticContact CG-CG 3.3Å; H43-Y84 AromaticContact CG-CZ 3.99Å; H43-Y84 WeakPolarHBondContact ND1-CB 3.07Å; H43-Y84 AromaticContact ND1-CD1 3.43Å; H43-Y84 WeakPolarHBondContact ND1-CD1 3.38Å; H43-Y84 AromaticContact ND1-CG 3.31Å; H43-Y84 VanDerWaalsContact ND1-CG 3.31Å; H43-Y84 AromaticContact NE2-CD1 3.29Å; H43-Y84 VanDerWaalsContact NE2-CD1 3.29Å; H43-Y84 WeakPolarHBondContact NE2-CD1 3.41Å; H43-Y84 AromaticContact NE2-CE1 3.75Å
44G97.4Very high97.6Very high0 Ų031.2 Ų31.20%017%0.168CC..Hα-helixtrans-54.6-48.7-179.700000112T40 F41 L46 S47 I48T40-G44 PolarHBondContact O-N 3.46Å; F41-G44 PolarHBondContact O-N 3.11Å; G44-L46 PolarHBondContact O-N 3.33Å; G44-S47 PolarHBondContact O-N 3.03Å; G44-I48 WeakPolarHBondContact O-CB 3.49Å; G44-I48 WeakPolarHBondContact O-CD1 3.35Å; G44-I48 WeakPolarHBondContact O-CG1 3.44Å; G44-I48 PolarHBondContact O-N 3.15Å
45V97.7Very high97.4Very high72 Ų7230.5 Ų30.544%0.43617%0.169SC..Hα-helixtrans-61.6-46.7178.5172.60000112F41 T42 H43 G49 P138F41-V45 HydrophobicContact CD1-CG2 4.32Å; F41-V45 HydrophobicContact CE1-CG2 3.91Å; F41-V45 HydrophobicContact CE2-CG2 4.49Å; F41-V45 HydrophobicContact CZ-CG2 4.01Å; F41-V45 WeakPolarHBondContact O-CG2 3.47Å; F41-V45 PolarHBondContact O-N 3.1Å; T42-V45 PolarHBondContact O-N 2.89Å; H43-V45 VanDerWaalsContact C-N 3.34Å; H43-V45 PolarHBondContact O-N 3.05Å; V45-G49 PolarHBondContact O-N 2.92Å; V45-G49 VanDerWaalsContact O-N 3.08Å; V45-P138 HydrophobicContact CG2-CG 4.31Å
46L97.3Very high97.2Very high79 Ų7936.5 Ų36.541%0.41420%0.196SC..Hα-helixtrans-64.4-47.7179.6-71.4175000111.6W16 T42 H43 G44 I48 G49 L50W16-L46 HydrophobicContact CH2-CD1 4.07Å; T42-L46 HydrophobicContact CG2-CD1 3.98Å; T42-L46 WeakPolarHBondContact O-CB 3.46Å; T42-L46 VanDerWaalsContact O-CG 3.31Å; T42-L46 WeakPolarHBondContact O-CG 3.31Å; T42-L46 PolarHBondContact O-N 2.89Å; H43-L46 PolarHBondContact O-N 3.4Å; G44-L46 PolarHBondContact O-N 3.33Å; L46-I48 PolarHBondContact O-N 2.95Å; L46-G49 PolarHBondContact O-N 2.95Å; L46-L50 VanDerWaalsContact O-CB 3.28Å; L46-L50 WeakPolarHBondContact O-CB 3.37Å; L46-L50 VanDerWaalsContact O-CG 3.27Å; L46-L50 WeakPolarHBondContact O-CG 3.3Å; L46-L50 PolarHBondContact O-N 2.75Å
47S96.9Very high97.1Very high0 Ų042.2 Ų42.20%023%0.225CC..Hα-helixtrans-60.8-45.6179.2-66.50000111.5H43 G44 S51H43-S47 PolarHBondContact CE1-OG 3.02Å; H43-S47 PolarHBondContact ND1-OG 3.47Å; H43-S47 PolarHBondContact NE2-OG 3.33Å; H43-S47 VanDerWaalsContact O-CB 3.29Å; H43-S47 WeakPolarHBondContact O-CB 3.48Å; H43-S47 PolarHBondContact O-N 3.31Å; H43-S47 PolarHBondContact O-OG 3.19Å; H43-S47 VanDerWaalsContact O-OG 3.07Å; G44-S47 PolarHBondContact O-N 3.03Å; S47-S51 WeakPolarHBondContact O-CB 3.27Å; S47-S51 PolarHBondContact O-N 2.92Å; S47-S51 PolarHBondContact O-OG 3.5Å
48I97.8Very high97Very high34 Ų3444.8 Ų44.817%0.17424%0.24CC..Hα-helixtrans-58.8-50.7176.2-67.7160000110.4G44 L46 S51 A52 F131 E134 P138G44-I48 WeakPolarHBondContact O-CB 3.49Å; G44-I48 WeakPolarHBondContact O-CD1 3.35Å; G44-I48 WeakPolarHBondContact O-CG1 3.44Å; G44-I48 PolarHBondContact O-N 3.15Å; L46-I48 PolarHBondContact O-N 2.95Å; I48-S51 PolarHBondContact O-OG 3.31Å; I48-A52 WeakPolarHBondContact O-CB 3.44Å; I48-A52 PolarHBondContact O-N 3.19Å; I48-F131 HydrophobicContact CG2-CD2 4.21Å; I48-F131 HydrophobicContact CG2-CE2 3.81Å; I48-E134 WeakPolarHBondContact CD1-O 3.44Å; I48-E134 HydrophobicContact CG1-CB 3.93Å; I48-P138 HydrophobicContact CD1-CG 3.64Å
49G97.8Very high96.6Very high43 Ų4343.6 Ų43.644%0.44324%0.237SC..Hα-helixtrans-63.1-46-176.900000112.8V45 L46 Y53V45-G49 PolarHBondContact O-N 2.92Å; V45-G49 VanDerWaalsContact O-N 3.08Å; L46-G49 PolarHBondContact O-N 2.95Å; G49-Y53 PolarHBondContact O-N 3.05Å
50L97.4Very high96.4Very high62 Ų6245.3 Ų45.333%0.32525%0.249SC..Hα-helixtrans-69.4-44-179-72.3173.6000112.4L46 Y53 I54 I77 L80L46-L50 VanDerWaalsContact O-CB 3.28Å; L46-L50 WeakPolarHBondContact O-CB 3.37Å; L46-L50 VanDerWaalsContact O-CG 3.27Å; L46-L50 WeakPolarHBondContact O-CG 3.3Å; L46-L50 PolarHBondContact O-N 2.75Å; L50-Y53 PolarHBondContact O-N 3.5Å; L50-I54 PolarHBondContact O-N 3.41Å; L50-I77 HydrophobicContact CB-CD1 3.57Å; L50-I77 HydrophobicContact CB-CG1 3.84Å; L50-I77 HydrophobicContact CD1-CG1 4.04Å; L50-I77 HydrophobicContact CD2-CD1 4.4Å; L50-I77 HydrophobicContact CG-CD1 4.38Å; L50-I77 HydrophobicContact CG-CG1 4.41Å; L50-L80 HydrophobicContact CD1-CD2 3.95Å
51S96.8Very high96.2Very high1 Ų150 Ų501%0.00727%0.266CS..Hα-helixtrans-70.4-32.4177.760.80000112.4S47 I48 I54 G55 N127 F131S47-S51 WeakPolarHBondContact O-CB 3.27Å; S47-S51 PolarHBondContact O-N 2.92Å; S47-S51 PolarHBondContact O-OG 3.5Å; I48-S51 PolarHBondContact O-OG 3.31Å; S51-I54 PolarHBondContact O-N 3.17Å; S51-G55 PolarHBondContact O-N 3.18Å; S51-N127 VanDerWaalsContact CB-OD1 3.29Å; S51-N127 WeakPolarHBondContact CB-OD1 3.33Å; S51-N127 PolarHBondContact O-ND2 2.64Å; S51-F131 WeakPolarHBondContact OG-CA 3.5Å; S51-F131 VanDerWaalsContact OG-CB 3.25Å; S51-F131 WeakPolarHBondContact OG-CB 3.41Å; S51-F131 WeakPolarHBondContact OG-CD2 3.44Å
52A96.7Very high96Very high23 Ų2346.8 Ų46.819%0.1925%0.253CS..Hα-helixtrans-63.5-44.6170.100000111.6I48 I54 G55 F56 F131I48-A52 WeakPolarHBondContact O-CB 3.44Å; I48-A52 PolarHBondContact O-N 3.19Å; A52-I54 VanDerWaalsContact C-N 3.32Å; A52-I54 PolarHBondContact O-N 3.24Å; A52-G55 PolarHBondContact O-N 3.41Å; A52-F56 HydrophobicContact CB-CD2 4.1Å; A52-F56 HydrophobicContact CB-CE2 4.36Å; A52-F56 WeakPolarHBondContact O-CB 3.32Å; A52-F56 WeakPolarHBondContact O-CD2 3.48Å; A52-F56 PolarHBondContact O-N 3.48Å; A52-F131 HydrophobicContact CB-CD2 4.02Å; A52-F131 HydrophobicContact CB-CE2 3.7Å
53Y97.3Very high95.9Very high121 Ų12146.8 Ų46.848%0.47525%0.249SC..Hα-helixtrans-58.6-45.6175.8178.5-89000111.3G49 L50 G55 I57 D58 L73G49-Y53 PolarHBondContact O-N 3.05Å; L50-Y53 PolarHBondContact O-N 3.5Å; Y53-G55 PolarHBondContact O-N 3.41Å; Y53-I57 HydrophobicContact CD2-CB 4.03Å; Y53-I57 HydrophobicContact CD2-CG1 4.07Å; Y53-I57 HydrophobicContact CD2-CG2 4.35Å; Y53-I57 HydrophobicContact CE2-CB 3.98Å; Y53-I57 HydrophobicContact CE2-CG1 4.35Å; Y53-I57 HydrophobicContact CE2-CG2 3.8Å; Y53-I57 HydrophobicContact CG-CB 4.49Å; Y53-I57 WeakPolarHBondContact O-CA 3.41Å; Y53-I57 VanDerWaalsContact O-CB 3.3Å; Y53-I57 WeakPolarHBondContact O-CB 3.37Å; Y53-I57 PolarHBondContact O-N 3.21Å; Y53-D58 HydrophobicContact CD1-CB 4.3Å; Y53-D58 HydrophobicContact CE1-CB 3.98Å; Y53-D58 PolarHBondContact O-N 3.27Å; Y53-L73 HydrophobicContact CD1-CD2 3.68Å; Y53-L73 HydrophobicContact CE1-CD2 3.69Å
54I96Very high95.7Very high2 Ų251 Ų511%0.0128%0.275CS..Iπ-helixtrans-58.1-52.5173.6-69.7168.7000110.6L50 S51 A52 F56 D58 G59 L73 Q74 I77 N127L50-I54 PolarHBondContact O-N 3.41Å; S51-I54 PolarHBondContact O-N 3.17Å; A52-I54 VanDerWaalsContact C-N 3.32Å; A52-I54 PolarHBondContact O-N 3.24Å; I54-F56 PolarHBondContact O-N 2.88Å; I54-D58 PolarHBondContact O-N 3.18Å; I54-G59 WeakPolarHBondContact O-CA 3.18Å; I54-G59 PolarHBondContact O-N 3.37Å; I54-L73 HydrophobicContact CD1-CG 4.07Å; I54-L73 HydrophobicContact CG1-CD2 3.8Å; I54-L73 HydrophobicContact CG1-CG 3.83Å; I54-Q74 HydrophobicContact CD1-CB 4.35Å; I54-Q74 HydrophobicContact CD1-CG 3.79Å; I54-Q74 HydrophobicContact CG1-CG 4.5Å; I54-Q74 HydrophobicContact CG2-CG 3.83Å; I54-I77 HydrophobicContact CD1-CB 4.44Å; I54-I77 HydrophobicContact CD1-CD1 3.27Å; I54-I77 HydrophobicContact CD1-CG1 4.42Å; I54-I77 HydrophobicContact CG1-CD1 3.98Å; I54-N127 WeakPolarHBondContact CB-ND2 3.36Å
55G93.8Very high95.6Very high14 Ų1455.6 Ų55.614%0.14430%0.296CS..Iπ-helixtrans-64.3-43.6-172.200000113S51 A52 Y53 W61S51-G55 PolarHBondContact O-N 3.18Å; A52-G55 PolarHBondContact O-N 3.41Å; Y53-G55 PolarHBondContact O-N 3.41Å; G55-W61 WeakPolarHBondContact O-CZ3 3.47Å
56F94.2Very high95.4Very high129 Ų12952.4 Ų52.457%0.56628%0.277SS*.Iπ-helixtrans-98.9-19.1-170-63.3-69.3000114.4A52 I54 W61 F131A52-F56 HydrophobicContact CB-CD2 4.1Å; A52-F56 HydrophobicContact CB-CE2 4.36Å; A52-F56 WeakPolarHBondContact O-CB 3.32Å; A52-F56 WeakPolarHBondContact O-CD2 3.48Å; A52-F56 PolarHBondContact O-N 3.48Å; I54-F56 PolarHBondContact O-N 2.88Å; F56-W61 HydrophobicContact CD1-CH2 4.14Å; F56-W61 AromaticContact CD1-CZ3 3.8Å; F56-W61 HydrophobicContact CD1-CZ3 3.8Å; F56-W61 AromaticContact CE1-CH2 3.73Å; F56-W61 HydrophobicContact CE1-CH2 3.73Å; F56-W61 AromaticContact CE1-CZ3 3.81Å; F56-W61 HydrophobicContact CE1-CZ3 3.81Å; F56-F131 HydrophobicContact CE2-CE1 4.39Å; F56-F131 HydrophobicContact CE2-CZ 4.21Å
57I95.3Very high95.3Very high122 Ų12249 Ų4963%0.62626%0.262SS*.Iπ-helixtrans-122.9-55.1-172.4-48.1-64.8000112.2Y53Y53-I57 HydrophobicContact CD2-CB 4.03Å; Y53-I57 HydrophobicContact CD2-CG1 4.07Å; Y53-I57 HydrophobicContact CD2-CG2 4.35Å; Y53-I57 HydrophobicContact CE2-CB 3.98Å; Y53-I57 HydrophobicContact CE2-CG1 4.35Å; Y53-I57 HydrophobicContact CE2-CG2 3.8Å; Y53-I57 HydrophobicContact CG-CB 4.49Å; Y53-I57 WeakPolarHBondContact O-CA 3.41Å; Y53-I57 VanDerWaalsContact O-CB 3.3Å; Y53-I57 WeakPolarHBondContact O-CB 3.37Å; Y53-I57 PolarHBondContact O-N 3.21Å
58D94.5Very high95.2Very high78 Ų7850.3 Ų50.342%0.41727%0.27SS..Iπ-helixtrans-76.8-42.8-174.4-163.149.5000112.3Y53 I54 L73Y53-D58 HydrophobicContact CD1-CB 4.3Å; Y53-D58 HydrophobicContact CE1-CB 3.98Å; Y53-D58 PolarHBondContact O-N 3.27Å; I54-D58 PolarHBondContact O-N 3.18Å; D58-L73 HydrophobicContact CB-CD2 4.41Å
59G90.4Very high95.2Very high14 Ų1453.3 Ų53.314%0.14429%0.292CS..  trans75.7-172.1-17300000114I54I54-G59 WeakPolarHBondContact O-CA 3.18Å; I54-G59 PolarHBondContact O-N 3.37Å
60P94.4Very high95.2Very high37 Ų3752.5 Ų52.524%0.2428%0.277CS..  cis-71.6164.2-5.330.4-35.4000113.2H65 T124P60-H65 HydrophobicContact CB-CB 3.83Å; P60-H65 HydrophobicContact CG-CB 4.34Å; P60-T124 HydrophobicContact CG-CG2 3.96Å; P60-T124 VanDerWaalsContact CG-OG1 3.3Å; P60-T124 WeakPolarHBondContact CG-OG1 3.49Å; P60-T124 WeakPolarHBondContact O-CG2 3.37Å
61W95Very high95.2Very high103 Ų10350.9 Ų50.939%0.3927%0.27SS..  trans-77120.9-174.2-178.7-120.9000112G55 F56 F63 T64 H65G55-W61 WeakPolarHBondContact O-CZ3 3.47Å; F56-W61 HydrophobicContact CD1-CH2 4.14Å; F56-W61 AromaticContact CD1-CZ3 3.8Å; F56-W61 HydrophobicContact CD1-CZ3 3.8Å; F56-W61 AromaticContact CE1-CH2 3.73Å; F56-W61 HydrophobicContact CE1-CH2 3.73Å; F56-W61 AromaticContact CE1-CZ3 3.81Å; F56-W61 HydrophobicContact CE1-CZ3 3.81Å; W61-F63 VanDerWaalsContact C-N 3.29Å; W61-F63 HydrophobicContact CD2-CD2 4.23Å; W61-F63 AromaticContact CE2-CD2 3.4Å; W61-F63 HydrophobicContact CH2-CD2 4.08Å; W61-F63 AromaticContact CH2-CE2 3.97Å; W61-F63 HydrophobicContact CH2-CE2 3.97Å; W61-F63 AromaticContact CZ2-CD2 3.31Å; W61-F63 HydrophobicContact CZ2-CD2 3.31Å; W61-F63 AromaticContact CZ2-CE2 3.57Å; W61-F63 HydrophobicContact CZ2-CE2 3.57Å; W61-F63 HydrophobicContact CZ2-CG 4.44Å; W61-F63 AromaticContact NE1-CD2 3.54Å; W61-F63 PolarHBondContact O-N 2.76Å; W61-F63 VanDerWaalsContact O-N 3.14Å; W61-T64 PolarHBondContact O-N 2.93Å; W61-T64 VanDerWaalsContact O-N 3.07Å; W61-T64 PolarHBondContact O-OG1 3.44Å; W61-T64 VanDerWaalsContact O-OG1 3.04Å; W61-H65 PolarHBondContact O-N 2.9Å
62P94Very high95.2Very high8 Ų855.6 Ų55.65%0.05230%0.301CS..THydrogen-bonded Turntrans-63.2-25.6-168.723.5-36.3000115.7T64 T124 A128 L179P62-T64 VanDerWaalsContact C-N 3.27Å; P62-T64 PolarHBondContact O-N 3.03Å; P62-T124 HydrophobicContact CB-CG2 4.03Å; P62-A128 HydrophobicContact CB-CB 3.49Å; P62-A128 VanDerWaalsContact CB-CB 3.49Å; P62-A128 HydrophobicContact CG-CB 3.67Å; P62-L179 HydrophobicContact CB-CD1 3.88Å
63F94.9Very high95.1Very high40 Ų4057 Ų5718%0.17531%0.305CS..THydrogen-bonded Turntrans-81.2-8.5179.9-60.5-88.7000113.8W61 V175 H178 L179 C182W61-F63 VanDerWaalsContact C-N 3.29Å; W61-F63 HydrophobicContact CD2-CD2 4.23Å; W61-F63 AromaticContact CE2-CD2 3.4Å; W61-F63 HydrophobicContact CH2-CD2 4.08Å; W61-F63 AromaticContact CH2-CE2 3.97Å; W61-F63 HydrophobicContact CH2-CE2 3.97Å; W61-F63 AromaticContact CZ2-CD2 3.31Å; W61-F63 HydrophobicContact CZ2-CD2 3.31Å; W61-F63 AromaticContact CZ2-CE2 3.57Å; W61-F63 HydrophobicContact CZ2-CE2 3.57Å; W61-F63 HydrophobicContact CZ2-CG 4.44Å; W61-F63 AromaticContact NE1-CD2 3.54Å; W61-F63 PolarHBondContact O-N 2.76Å; W61-F63 VanDerWaalsContact O-N 3.14Å; F63-V175 HydrophobicContact CE1-CG1 4.29Å; F63-V175 HydrophobicContact CZ-CG1 3.7Å; F63-H178 AromaticContact CD1-CD2 3.31Å; F63-H178 WeakPolarHBondContact CD1-CD2 3.41Å; F63-H178 AromaticContact CD1-NE2 3.75Å; F63-H178 HydrophobicContact CE1-CB 4.24Å; F63-H178 AromaticContact CE1-CD2 3.43Å; F63-H178 VanDerWaalsContact CE1-CD2 3.43Å; F63-H178 WeakPolarHBondContact CE1-CD2 3.3Å; F63-L179 HydrophobicContact CD1-CB 4.48Å; F63-L179 HydrophobicContact CD1-CD1 4.29Å; F63-L179 HydrophobicContact CE1-CB 3.82Å; F63-L179 HydrophobicContact CE1-CD1 4.15Å; F63-L179 HydrophobicContact CZ-CB 4.36Å; F63-L179 HydrophobicContact CZ-CD1 4.42Å; F63-C182 PolarHBondContact O-SG 3.32Å
64T94.1Very high95.2Very high89 Ų8951.3 Ų51.355%0.54628%0.283SS..THydrogen-bonded Turntrans-124.7-25.5-175.548.30000112.8W61 P62W61-T64 PolarHBondContact O-N 2.93Å; W61-T64 VanDerWaalsContact O-N 3.07Å; W61-T64 PolarHBondContact O-OG1 3.44Å; W61-T64 VanDerWaalsContact O-OG1 3.04Å; P62-T64 VanDerWaalsContact C-N 3.27Å; P62-T64 PolarHBondContact O-N 3.03Å
65H94.8Very high95.3Very high97 Ų9752.5 Ų52.545%0.44929%0.29SS..  trans-125.939.7-174.7-60.786.1000113.9P60 W61 S68P60-H65 HydrophobicContact CB-CB 3.83Å; P60-H65 HydrophobicContact CG-CB 4.34Å; W61-H65 PolarHBondContact O-N 2.9Å; H65-S68 WeakPolarHBondContact CB-OG 3.42Å; H65-S68 WeakPolarHBondContact O-CB 3.22Å; H65-S68 PolarHBondContact O-N 3.18Å; H65-S68 PolarHBondContact O-OG 3.43Å
66P94.8Very high95.4Very high4 Ų456.8 Ų56.83%0.02631%0.306CS..THydrogen-bonded Turntrans-60.9152.1173.531.8-36.6000110.1S68 E125 S186 T188 P189P66-S68 PolarHBondContact O-N 3.35Å; P66-E125 WeakPolarHBondContact CA-OE2 3.46Å; P66-E125 HydrophobicContact CB-CB 4.43Å; P66-S186 VanDerWaalsContact CG-CB 3.44Å; P66-T188 PolarHBondContact O-OG1 3.03Å; P66-P189 HydrophobicContact CB-CG 3.93Å; P66-P189 HydrophobicContact CG-CG 4.34Å
67G94.8Very high95.6Very high9 Ų950.8 Ų50.89%0.09328%0.28CS..THydrogen-bonded Turntrans75.34.1-18000000114.6E125G67-E125 WeakPolarHBondContact CA-OE1 3.25Å; G67-E125 PolarHBondContact N-OE1 3.31Å; G67-E125 PolarHBondContact N-OE2 2.73Å
68S95.4Very high95.7Very high26 Ų2645 Ų4518%0.18225%0.25CS..PPolyproline II helixtrans-64.5156.2176.9-63.20000112H65 P66 E121 S122H65-S68 WeakPolarHBondContact CB-OG 3.42Å; H65-S68 WeakPolarHBondContact O-CB 3.22Å; H65-S68 PolarHBondContact O-N 3.18Å; H65-S68 PolarHBondContact O-OG 3.43Å; P66-S68 PolarHBondContact O-N 3.35Å; S68-E121 WeakPolarHBondContact O-CA 3.43Å; S68-S122 PolarHBondContact O-N 2.92Å
69P97.5Very high95.9Very high98 Ų9841.4 Ų41.464%0.63623%0.231SC*.BIsolated β-bridgetrans-55142.6170.7-2534.8000111.8T71P69-T71 PolarHBondContact O-N 3.13Å
70N97.4Very high96.3Very high25 Ų2543.2 Ų43.213%0.13424%0.237CC..PPolyproline II helixtrans-68.5132.2-178.5-63.5-11.9000110.7V75 A116 G120 E121 S122 G123N70-V75 HydrophobicContact CB-CG2 3.78Å; N70-A116 PolarHBondContact ND2-O 3.28Å; N70-G120 PolarHBondContact N-O 3.06Å; N70-G120 VanDerWaalsContact ND2-C 3.33Å; N70-G120 WeakPolarHBondContact ND2-CA 3.48Å; N70-E121 PolarHBondContact ND2-N 2.96Å; N70-E121 VanDerWaalsContact OD1-CA 3.27Å; N70-E121 WeakPolarHBondContact OD1-CA 3.29Å; N70-E121 PolarHBondContact OD1-N 3.32Å; N70-E121 PolarHBondContact OD1-O 3.03Å; N70-S122 PolarHBondContact OD1-N 3.39Å; N70-G123 WeakPolarHBondContact OD1-CA 3.38Å; N70-G123 PolarHBondContact OD1-N 2.93Å
71T97Very high96.5Very high28 Ų2841.4 Ų41.417%0.17223%0.226CC..PPolyproline II helixtrans-75.4155.1170.177.10000110.4P69 L73 Q74 V75P69-T71 PolarHBondContact O-N 3.13Å; T71-L73 PolarHBondContact O-N 3.22Å; T71-Q74 WeakPolarHBondContact O-CB 3.38Å; T71-Q74 PolarHBondContact O-N 3.32Å; T71-Q74 VanDerWaalsContact OG1-CG 3.26Å; T71-Q74 WeakPolarHBondContact OG1-CG 3.11Å; T71-Q74 PolarHBondContact OG1-N 2.89Å; T71-Q74 VanDerWaalsContact OG1-N 3.17Å; T71-V75 WeakPolarHBondContact O-CG2 3.3Å; T71-V75 PolarHBondContact O-N 2.97Å
72P96.4Very high96.7Very high100 Ų10037 Ų3765%0.64921%0.209SC*.Hα-helixtrans-54.8-38.9174.7-27.335.6000112.6V75 H76P72-V75 PolarHBondContact O-N 3.47Å; P72-H76 PolarHBondContact O-N 2.93Å; P72-H76 PolarHBondContact O-ND1 2.95Å
73L96.3Very high96.9Very high54 Ų5436.6 Ų36.628%0.28321%0.207SC..Hα-helixtrans-67.7-42.6179.5-174.656.3000111.8Y53 I54 D58 T71 V75 H76 I77Y53-L73 HydrophobicContact CD1-CD2 3.68Å; Y53-L73 HydrophobicContact CE1-CD2 3.69Å; I54-L73 HydrophobicContact CD1-CG 4.07Å; I54-L73 HydrophobicContact CG1-CD2 3.8Å; I54-L73 HydrophobicContact CG1-CG 3.83Å; D58-L73 HydrophobicContact CB-CD2 4.41Å; T71-L73 PolarHBondContact O-N 3.22Å; L73-V75 VanDerWaalsContact C-N 3.32Å; L73-V75 PolarHBondContact O-N 3.38Å; L73-H76 PolarHBondContact O-N 2.96Å; L73-I77 HydrophobicContact CD1-CD1 3.83Å; L73-I77 HydrophobicContact CG-CD1 3.9Å; L73-I77 PolarHBondContact O-N 3.14Å; L73-I77 VanDerWaalsContact O-N 3.1Å
74Q97.9Very high97.1Very high0 Ų034.7 Ų34.70%020%0.199CC..Hα-helixtrans-56.2-47.2172.2-73169.9-2.600111I54 T71 H76 I77 L78 T124I54-Q74 HydrophobicContact CD1-CB 4.35Å; I54-Q74 HydrophobicContact CD1-CG 3.79Å; I54-Q74 HydrophobicContact CG1-CG 4.5Å; I54-Q74 HydrophobicContact CG2-CG 3.83Å; T71-Q74 WeakPolarHBondContact O-CB 3.38Å; T71-Q74 PolarHBondContact O-N 3.32Å; T71-Q74 VanDerWaalsContact OG1-CG 3.26Å; T71-Q74 WeakPolarHBondContact OG1-CG 3.11Å; T71-Q74 PolarHBondContact OG1-N 2.89Å; T71-Q74 VanDerWaalsContact OG1-N 3.17Å; Q74-H76 PolarHBondContact O-N 3.41Å; Q74-I77 PolarHBondContact O-N 3.5Å; Q74-L78 WeakPolarHBondContact O-CB 3.18Å; Q74-L78 WeakPolarHBondContact O-CG 3.19Å; Q74-L78 PolarHBondContact O-N 2.91Å; Q74-T124 PolarHBondContact NE2-OG1 3.27Å
75V98Very high97.3Very high28 Ų2830.6 Ų30.617%0.1717%0.173CC..Hα-helixtrans-57.9-46.7177.8172.50000111.7L5 N70 T71 P72 L73 I77 L78 C79 L117L5-V75 HydrophobicContact CD2-CG1 3.47Å; L5-V75 VanDerWaalsContact CD2-CG1 3.47Å; N70-V75 HydrophobicContact CB-CG2 3.78Å; T71-V75 WeakPolarHBondContact O-CG2 3.3Å; T71-V75 PolarHBondContact O-N 2.97Å; P72-V75 PolarHBondContact O-N 3.47Å; L73-V75 VanDerWaalsContact C-N 3.32Å; L73-V75 PolarHBondContact O-N 3.38Å; V75-I77 PolarHBondContact O-N 2.86Å; V75-L78 PolarHBondContact O-N 3.2Å; V75-C79 WeakPolarHBondContact O-CB 3.36Å; V75-C79 PolarHBondContact O-N 2.95Å; V75-C79 PolarHBondContact O-SG 3.4Å; V75-C79 VanDerWaalsContact O-SG 3.39Å; V75-L117 HydrophobicContact CB-CD2 4.41Å; V75-L117 HydrophobicContact CG1-CD2 3.97Å; V75-L117 HydrophobicContact CG2-CD2 4.43Å
76H97.3Very high97.4Very high103 Ų10329.2 Ų29.248%0.47717%0.169SC..Hα-helixtrans-61.3-43.2-179.9-76.685.2000112.3P72 L73 Q74 C79 L80P72-H76 PolarHBondContact O-N 2.93Å; P72-H76 PolarHBondContact O-ND1 2.95Å; L73-H76 PolarHBondContact O-N 2.96Å; Q74-H76 PolarHBondContact O-N 3.41Å; H76-C79 PolarHBondContact O-N 2.83Å; H76-L80 WeakPolarHBondContact O-CB 3.27Å; H76-L80 PolarHBondContact O-N 3.32Å
77I97.3Very high97.6Very high4 Ų429.7 Ų29.72%0.02117%0.17CC..Hα-helixtrans-71.2-38-179.3-72.8153.9000111.4L50 I54 L73 Q74 V75 L80 T81 L130L50-I77 HydrophobicContact CB-CD1 3.57Å; L50-I77 HydrophobicContact CB-CG1 3.84Å; L50-I77 HydrophobicContact CD1-CG1 4.04Å; L50-I77 HydrophobicContact CD2-CD1 4.4Å; L50-I77 HydrophobicContact CG-CD1 4.38Å; L50-I77 HydrophobicContact CG-CG1 4.41Å; I54-I77 HydrophobicContact CD1-CB 4.44Å; I54-I77 HydrophobicContact CD1-CD1 3.27Å; I54-I77 HydrophobicContact CD1-CG1 4.42Å; I54-I77 HydrophobicContact CG1-CD1 3.98Å; L73-I77 HydrophobicContact CD1-CD1 3.83Å; L73-I77 HydrophobicContact CG-CD1 3.9Å; L73-I77 PolarHBondContact O-N 3.14Å; L73-I77 VanDerWaalsContact O-N 3.1Å; Q74-I77 PolarHBondContact O-N 3.5Å; V75-I77 PolarHBondContact O-N 2.86Å; I77-L80 PolarHBondContact O-N 3.48Å; I77-T81 VanDerWaalsContact O-CB 3.25Å; I77-T81 WeakPolarHBondContact O-CB 3.34Å; I77-T81 PolarHBondContact O-N 3.47Å; I77-T81 PolarHBondContact O-OG1 3.31Å; I77-L130 HydrophobicContact CG2-CD2 3.95Å
78L98.3Very high97.8Very high0 Ų029.7 Ų29.70%017%0.168CC..Hα-helixtrans-62.7-42.9172.5-71177.3000111.3Q74 V75 T81 L82 I113 A116 L117 V126Q74-L78 WeakPolarHBondContact O-CB 3.18Å; Q74-L78 WeakPolarHBondContact O-CG 3.19Å; Q74-L78 PolarHBondContact O-N 2.91Å; V75-L78 PolarHBondContact O-N 3.2Å; L78-T81 PolarHBondContact O-N 3.5Å; L78-L82 VanDerWaalsContact O-CB 3.23Å; L78-L82 WeakPolarHBondContact O-CB 3.46Å; L78-L82 PolarHBondContact O-N 3.44Å; L78-I113 HydrophobicContact CB-CG2 3.92Å; L78-I113 HydrophobicContact CD2-CG1 4.08Å; L78-I113 HydrophobicContact CD2-CG2 4.13Å; L78-I113 WeakPolarHBondContact O-CG2 3.06Å; L78-A116 HydrophobicContact CD1-CB 4.26Å; L78-L117 HydrophobicContact CB-CD1 4.36Å; L78-L117 HydrophobicContact CB-CD2 3.87Å; L78-L117 HydrophobicContact CB-CG 4.16Å; L78-L117 HydrophobicContact CD1-CD2 4.21Å; L78-L117 HydrophobicContact CD1-CG 4.49Å; L78-V126 HydrophobicContact CD2-CB 4.46Å; L78-V126 HydrophobicContact CD2-CG1 3.64Å
79C98.4Very high97.9Very high2 Ų229.7 Ų29.71%0.01417%0.166CC..Hα-helixtrans-64.8-42.9174.6-730000112.6Q8 V9 V75 H76 T81 L82 G83Q8-C79 HydrophobicContact CB-CB 3.96Å; V9-C79 HydrophobicContact CG2-CB 3.99Å; V75-C79 WeakPolarHBondContact O-CB 3.36Å; V75-C79 PolarHBondContact O-N 2.95Å; V75-C79 PolarHBondContact O-SG 3.4Å; V75-C79 VanDerWaalsContact O-SG 3.39Å; H76-C79 PolarHBondContact O-N 2.83Å; C79-T81 VanDerWaalsContact C-N 3.29Å; C79-T81 PolarHBondContact O-N 3.31Å; C79-L82 PolarHBondContact O-N 3.08Å; C79-G83 PolarHBondContact O-N 3.18Å; C79-G83 VanDerWaalsContact O-N 3.07Å
80L98.3Very high97.9Very high52 Ų5226.9 Ų26.927%0.27215%0.154SC..Hα-helixtrans-59.1-41.9175.3178.968.7000111.8S12 W16 L50 H76 I77 Y84S12-L80 WeakPolarHBondContact OG-CA 3.17Å; S12-L80 PolarHBondContact OG-O 3.04Å; W16-L80 HydrophobicContact CZ2-CD1 3.86Å; W16-L80 HydrophobicContact CZ2-CG 4.11Å; W16-L80 PolarHBondContact NE1-O 3.06Å; L50-L80 HydrophobicContact CD1-CD2 3.95Å; H76-L80 WeakPolarHBondContact O-CB 3.27Å; H76-L80 PolarHBondContact O-N 3.32Å; I77-L80 PolarHBondContact O-N 3.48Å; L80-Y84 PolarHBondContact O-N 3.42Å
81T98.4Very high97.9Very high0 Ų026.6 Ų26.60%015%0.152CC..Hα-helixtrans-75.1-39.5-179-59.60000111.9I77 L78 C79 G83 Y84 F85 I113 L130I77-T81 VanDerWaalsContact O-CB 3.25Å; I77-T81 WeakPolarHBondContact O-CB 3.34Å; I77-T81 PolarHBondContact O-N 3.47Å; I77-T81 PolarHBondContact O-OG1 3.31Å; L78-T81 PolarHBondContact O-N 3.5Å; C79-T81 VanDerWaalsContact C-N 3.29Å; C79-T81 PolarHBondContact O-N 3.31Å; T81-G83 VanDerWaalsContact C-N 3.35Å; T81-G83 PolarHBondContact O-N 3.02Å; T81-Y84 WeakPolarHBondContact O-CB 3.3Å; T81-Y84 PolarHBondContact O-N 2.9Å; T81-F85 HydrophobicContact CG2-CD2 3.73Å; T81-F85 HydrophobicContact CG2-CE2 3.51Å; T81-F85 HydrophobicContact CG2-CZ 4.26Å; T81-F85 PolarHBondContact O-N 2.88Å; T81-I113 HydrophobicContact CG2-CD1 3.69Å; T81-L130 HydrophobicContact CG2-CD1 3.5Å; T81-L130 HydrophobicContact CG2-CD2 4Å; T81-L130 HydrophobicContact CG2-CG 4.41Å; T81-L130 WeakPolarHBondContact OG1-CD2 3.48Å
82L98.6Very high97.9Very high9 Ų925.5 Ų25.55%0.04715%0.145CC..Hα-helixtrans-61.8-44.2176.3-177.956.1000111.3V9 L78 C79 Y84 F85 I86 I110 I113 I114 L117V9-L82 HydrophobicContact CG1-CB 4.49Å; V9-L82 HydrophobicContact CG1-CD2 4.12Å; V9-L82 HydrophobicContact CG1-CG 4.03Å; V9-L82 HydrophobicContact CG2-CB 4.47Å; V9-L82 HydrophobicContact CG2-CD2 3.84Å; V9-L82 HydrophobicContact CG2-CG 4.39Å; L78-L82 VanDerWaalsContact O-CB 3.23Å; L78-L82 WeakPolarHBondContact O-CB 3.46Å; L78-L82 PolarHBondContact O-N 3.44Å; C79-L82 PolarHBondContact O-N 3.08Å; L82-Y84 VanDerWaalsContact C-N 3.28Å; L82-Y84 PolarHBondContact O-N 2.56Å; L82-F85 PolarHBondContact O-N 3.27Å; L82-I86 HydrophobicContact CD1-CD1 4.05Å; L82-I86 HydrophobicContact CD1-CG1 4.27Å; L82-I86 HydrophobicContact CG-CD1 3.98Å; L82-I86 VanDerWaalsContact O-CG1 3.28Å; L82-I86 WeakPolarHBondContact O-CG1 3.42Å; L82-I86 PolarHBondContact O-N 2.95Å; L82-I110 HydrophobicContact CD1-CB 4.33Å; L82-I110 HydrophobicContact CD1-CG1 4.28Å; L82-I110 HydrophobicContact CD1-CG2 3.9Å; L82-I113 HydrophobicContact CB-CG2 3.87Å; L82-I113 HydrophobicContact CD1-CG2 4.45Å; L82-I113 HydrophobicContact CD2-CG2 4.28Å; L82-I113 HydrophobicContact CG-CG2 4.43Å; L82-I114 HydrophobicContact CD1-CD1 4.33Å; L82-I114 HydrophobicContact CD1-CG1 3.97Å; L82-I114 HydrophobicContact CD2-CG1 3.76Å; L82-L117 HydrophobicContact CD2-CD1 3.94Å
83G98.6Very high97.9Very high0 Ų025 Ų250%014%0.136CC..Hα-helixtrans-58.9-40.1174.500000112.4L13 C79 T81 F87L13-G83 WeakPolarHBondContact CD1-O 3.44Å; C79-G83 PolarHBondContact O-N 3.18Å; C79-G83 VanDerWaalsContact O-N 3.07Å; T81-G83 VanDerWaalsContact C-N 3.35Å; T81-G83 PolarHBondContact O-N 3.02Å; G83-F87 PolarHBondContact O-N 3.29Å
84Y98.7Very high97.9Very high1 Ų131.4 Ų31.40%0.00416%0.158CC..Hα-helixtrans-64.8-51.2174.1167.1-104.2000112.2W16 V39 T40 H43 L80 T81 L82 I86 F87 D88W16-Y84 VanDerWaalsContact CD1-CA 3.45Å; W16-Y84 VanDerWaalsContact CD1-N 3.28Å; W16-Y84 HydrophobicContact CD2-CD2 4.33Å; V39-Y84 HydrophobicContact CG1-CD2 4.25Å; V39-Y84 HydrophobicContact CG1-CE2 4.18Å; T40-Y84 WeakPolarHBondContact CA-OH 3.3Å; T40-Y84 WeakPolarHBondContact CB-OH 3.49Å; T40-Y84 WeakPolarHBondContact CG2-OH 3.3Å; T40-Y84 PolarHBondContact OG1-OH 3.44Å; H43-Y84 HydrophobicContact CB-CD1 4.06Å; H43-Y84 HydrophobicContact CB-CD2 3.66Å; H43-Y84 HydrophobicContact CB-CE1 4.13Å; H43-Y84 HydrophobicContact CB-CE2 3.8Å; H43-Y84 HydrophobicContact CB-CG 3.81Å; H43-Y84 AromaticContact CD2-CD1 3.12Å; H43-Y84 WeakPolarHBondContact CD2-CD1 3.44Å; H43-Y84 AromaticContact CD2-CE1 3.2Å; H43-Y84 WeakPolarHBondContact CD2-CE1 3.33Å; H43-Y84 AromaticContact CD2-CG 3.75Å; H43-Y84 AromaticContact CD2-CZ 3.92Å; H43-Y84 AromaticContact CE1-CD1 3.43Å; H43-Y84 VanDerWaalsContact CE1-CD1 3.43Å; H43-Y84 WeakPolarHBondContact CE1-CD1 3.49Å; H43-Y84 AromaticContact CE1-CG 3.74Å; H43-Y84 AromaticContact CG-CD1 3.23Å; H43-Y84 AromaticContact CG-CD2 3.71Å; H43-Y84 AromaticContact CG-CE1 3.57Å; H43-Y84 AromaticContact CG-CG 3.3Å; H43-Y84 AromaticContact CG-CZ 3.99Å; H43-Y84 WeakPolarHBondContact ND1-CB 3.07Å; H43-Y84 AromaticContact ND1-CD1 3.43Å; H43-Y84 WeakPolarHBondContact ND1-CD1 3.38Å; H43-Y84 AromaticContact ND1-CG 3.31Å; H43-Y84 VanDerWaalsContact ND1-CG 3.31Å; H43-Y84 AromaticContact NE2-CD1 3.29Å; H43-Y84 VanDerWaalsContact NE2-CD1 3.29Å; H43-Y84 WeakPolarHBondContact NE2-CD1 3.41Å; H43-Y84 AromaticContact NE2-CE1 3.75Å; L80-Y84 PolarHBondContact O-N 3.42Å; T81-Y84 WeakPolarHBondContact O-CB 3.3Å; T81-Y84 PolarHBondContact O-N 2.9Å; L82-Y84 VanDerWaalsContact C-N 3.28Å; L82-Y84 PolarHBondContact O-N 2.56Å; Y84-I86 VanDerWaalsContact C-N 3.26Å; Y84-I86 PolarHBondContact O-N 2.93Å; Y84-F87 HydrophobicContact CD2-CD1 4.27Å; Y84-F87 HydrophobicContact CE2-CD1 4.35Å; Y84-F87 WeakPolarHBondContact O-CA 3.27Å; Y84-F87 WeakPolarHBondContact O-CB 3.28Å; Y84-F87 PolarHBondContact O-N 3.49Å; Y84-D88 HydrophobicContact CD2-CB 4.49Å; Y84-D88 HydrophobicContact CE1-CB 4.16Å; Y84-D88 HydrophobicContact CE2-CB 3.9Å; Y84-D88 WeakPolarHBondContact O-CB 3.29Å; Y84-D88 PolarHBondContact O-N 2.82Å; Y84-D88 PolarHBondContact OH-OD1 2.99Å
85F98.3Very high97.8Very high3 Ų335.7 Ų35.71%0.01318%0.177CC..Hα-helixtrans-64.2-32-177-78.9-39.3000112.6T81 L82 L89 H106 I110 I113 L130T81-F85 HydrophobicContact CG2-CD2 3.73Å; T81-F85 HydrophobicContact CG2-CE2 3.51Å; T81-F85 HydrophobicContact CG2-CZ 4.26Å; T81-F85 PolarHBondContact O-N 2.88Å; L82-F85 PolarHBondContact O-N 3.27Å; F85-L89 WeakPolarHBondContact O-CB 3.41Å; F85-L89 PolarHBondContact O-N 2.93Å; F85-H106 AromaticContact CD1-CE1 3.94Å; F85-H106 AromaticContact CD1-ND1 3.61Å; F85-I110 HydrophobicContact CB-CD1 4.04Å; F85-I110 HydrophobicContact CB-CG1 3.61Å; F85-I110 HydrophobicContact CG-CG1 4.49Å; F85-I113 HydrophobicContact CD2-CD1 3.73Å; F85-I113 HydrophobicContact CE2-CD1 3.87Å; F85-L130 HydrophobicContact CE2-CD1 4.44Å
86I98.6Very high97.6Very high68 Ų6841.2 Ų41.235%0.34920%0.2SC..Hα-helixtrans-63.9-47.2171.8-69165.8000110.6V9 L13 L82 Y84 G90V9-I86 HydrophobicContact CG1-CD1 4.09Å; L13-I86 HydrophobicContact CD1-CG2 4.22Å; L13-I86 HydrophobicContact CD2-CG2 4.19Å; L82-I86 HydrophobicContact CD1-CD1 4.05Å; L82-I86 HydrophobicContact CD1-CG1 4.27Å; L82-I86 HydrophobicContact CG-CD1 3.98Å; L82-I86 VanDerWaalsContact O-CG1 3.28Å; L82-I86 WeakPolarHBondContact O-CG1 3.42Å; L82-I86 PolarHBondContact O-N 2.95Å; Y84-I86 VanDerWaalsContact C-N 3.26Å; Y84-I86 PolarHBondContact O-N 2.93Å; I86-G90 PolarHBondContact O-N 2.79Å
87F98.4Very high97.1Very high13 Ų1338 Ų386%0.05719%0.189CC..Hα-helixtrans-57-51.5174.5160.4-98.1000111.4L13 W16 L17 Y20 V39 G83 Y84 G90 W91L13-F87 HydrophobicContact CD1-CB 3.74Å; W16-F87 HydrophobicContact CB-CB 4.4Å; W16-F87 HydrophobicContact CB-CG 4.34Å; L17-F87 HydrophobicContact CD2-CD2 3.67Å; L17-F87 HydrophobicContact CD2-CE2 3.99Å; L17-F87 HydrophobicContact CG-CD2 4.14Å; Y20-F87 HydrophobicContact CD1-CE2 4.18Å; Y20-F87 HydrophobicContact CD1-CZ 4.42Å; Y20-F87 HydrophobicContact CD2-CE2 4.49Å; Y20-F87 AromaticContact CD2-CZ 3.93Å; Y20-F87 HydrophobicContact CD2-CZ 3.93Å; Y20-F87 AromaticContact CG-CE2 3.93Å; Y20-F87 HydrophobicContact CG-CE2 3.93Å; Y20-F87 AromaticContact CG-CZ 3.77Å; Y20-F87 HydrophobicContact CG-CZ 3.77Å; V39-F87 HydrophobicContact CB-CE1 4.17Å; V39-F87 HydrophobicContact CG1-CD1 4.22Å; V39-F87 HydrophobicContact CG1-CE1 3.73Å; V39-F87 HydrophobicContact CG1-CZ 4.47Å; G83-F87 PolarHBondContact O-N 3.29Å; Y84-F87 HydrophobicContact CD2-CD1 4.27Å; Y84-F87 HydrophobicContact CE2-CD1 4.35Å; Y84-F87 WeakPolarHBondContact O-CA 3.27Å; Y84-F87 WeakPolarHBondContact O-CB 3.28Å; Y84-F87 PolarHBondContact O-N 3.49Å; F87-G90 PolarHBondContact O-N 2.89Å; F87-W91 WeakPolarHBondContact O-CB 3.12Å; F87-W91 PolarHBondContact O-N 2.93Å
88D97.9Very high96.9Very high10 Ų1040 Ų405%0.05320%0.199CC..Hα-helixtrans-69.6-41.6-172.4-163.889.9000111.8T40 Y84 W91 C92 H106T40-D88 PolarHBondContact OG1-OD1 3.08Å; Y84-D88 HydrophobicContact CD2-CB 4.49Å; Y84-D88 HydrophobicContact CE1-CB 4.16Å; Y84-D88 HydrophobicContact CE2-CB 3.9Å; Y84-D88 WeakPolarHBondContact O-CB 3.29Å; Y84-D88 PolarHBondContact O-N 2.82Å; Y84-D88 PolarHBondContact OH-OD1 2.99Å; D88-W91 PolarHBondContact O-N 3.07Å; D88-C92 WeakPolarHBondContact O-CB 3.37Å; D88-C92 PolarHBondContact O-N 2.82Å; D88-C92 PolarHBondContact O-SG 3.36Å; D88-H106 IonicContact OD2-CE1 2.8Å; D88-H106 PolarHBondContact OD2-CE1 3.06Å; D88-H106 IonicContact OD2-ND1 2.79Å; D88-H106 PolarHBondContact OD2-ND1 3.4Å; D88-H106 IonicContact OD2-NE2 2.7Å
89L97.7Very high96.7Very high26 Ų2642.2 Ų42.214%0.13622%0.222CC..Hα-helixtrans-62.8-44.7173.9-179.961.8000111.2F85 W91 C92 I93 L103 H106 I110F85-L89 WeakPolarHBondContact O-CB 3.41Å; F85-L89 PolarHBondContact O-N 2.93Å; L89-W91 VanDerWaalsContact C-N 3.3Å; L89-W91 PolarHBondContact O-N 3.49Å; L89-C92 PolarHBondContact O-N 3.45Å; L89-I93 HydrophobicContact CD1-CD1 3.93Å; L89-I93 HydrophobicContact CD1-CG1 4.21Å; L89-I93 HydrophobicContact CG-CD1 3.87Å; L89-I93 VanDerWaalsContact O-CG1 3.32Å; L89-I93 WeakPolarHBondContact O-CG1 3.48Å; L89-I93 PolarHBondContact O-N 3.47Å; L89-L103 HydrophobicContact CD1-CD2 3.79Å; L89-H106 HydrophobicContact CD1-CB 4.12Å; L89-I110 HydrophobicContact CB-CD1 4.17Å; L89-I110 HydrophobicContact CD2-CD1 3.54Å; L89-I110 HydrophobicContact CG-CD1 4.49Å
90G97.6Very high96.5Very high38 Ų3846 Ų4639%0.39225%0.253SS..Hα-helixtrans-59.7-42.3175.800000111.9I86 F87 I93 Y94I86-G90 PolarHBondContact O-N 2.79Å; F87-G90 PolarHBondContact O-N 2.89Å; G90-I93 PolarHBondContact O-N 2.88Å; G90-Y94 VanDerWaalsContact O-CB 3.3Å; G90-Y94 WeakPolarHBondContact O-CB 3.15Å; G90-Y94 PolarHBondContact O-N 2.7Å
91W97.9Very high96.4Very high20 Ų2046.1 Ų46.18%0.07625%0.253CS..Hα-helixtrans-63.6-46.1175.5-165.895.4000111.7Y20 E33 C36 F87 D88 L89 I93 Y94 F95 S97Y20-W91 AromaticContact CE2-NE1 3.87Å; Y20-W91 AromaticContact CZ-NE1 3.71Å; Y20-W91 PolarHBondContact OH-NE1 2.9Å; E33-W91 HydrophobicContact CB-CH2 3.66Å; E33-W91 HydrophobicContact CB-CZ2 4.06Å; E33-W91 HydrophobicContact CG-CH2 3.65Å; E33-W91 HydrophobicContact CG-CZ2 4.46Å; E33-W91 HydrophobicContact CG-CZ3 4.33Å; C36-W91 HydrophobicContact CB-CD2 3.88Å; C36-W91 HydrophobicContact CB-CE3 4.24Å; C36-W91 HydrophobicContact CB-CG 4.42Å; C36-W91 HydrophobicContact CB-CH2 4.18Å; C36-W91 HydrophobicContact CB-CZ2 3.76Å; C36-W91 HydrophobicContact CB-CZ3 4.34Å; C36-W91 VanDerWaalsContact SG-CE3 3.58Å; F87-W91 WeakPolarHBondContact O-CB 3.12Å; F87-W91 PolarHBondContact O-N 2.93Å; D88-W91 PolarHBondContact O-N 3.07Å; L89-W91 VanDerWaalsContact C-N 3.3Å; L89-W91 PolarHBondContact O-N 3.49Å; W91-I93 PolarHBondContact O-N 3.37Å; W91-Y94 PolarHBondContact O-N 2.81Å; W91-F95 AromaticContact CD1-CD2 3.72Å; W91-F95 AromaticContact CD1-CE2 3.66Å; W91-F95 AromaticContact CD2-CD2 3.63Å; W91-F95 HydrophobicContact CD2-CD2 3.63Å; W91-F95 HydrophobicContact CD2-CE2 4.29Å; W91-F95 HydrophobicContact CD2-CG 4.43Å; W91-F95 AromaticContact CE2-CD2 3.25Å; W91-F95 AromaticContact CE2-CE2 3.63Å; W91-F95 HydrophobicContact CE3-CD2 4.37Å; W91-F95 AromaticContact CG-CD2 3.86Å; W91-F95 HydrophobicContact CG-CD2 3.86Å; W91-F95 HydrophobicContact CG-CE2 4.26Å; W91-F95 HydrophobicContact CH2-CB 4.19Å; W91-F95 HydrophobicContact CH2-CD2 4.34Å; W91-F95 HydrophobicContact CH2-CG 4.32Å; W91-F95 HydrophobicContact CZ2-CB 4.28Å; W91-F95 AromaticContact CZ2-CD2 3.63Å; W91-F95 HydrophobicContact CZ2-CD2 3.63Å; W91-F95 HydrophobicContact CZ2-CE2 4.11Å; W91-F95 AromaticContact CZ2-CG 3.92Å; W91-F95 HydrophobicContact CZ2-CG 3.92Å; W91-F95 HydrophobicContact CZ3-CB 4.37Å; W91-F95 AromaticContact NE1-CD2 3.36Å; W91-F95 AromaticContact NE1-CE2 3.23Å; W91-F95 WeakPolarHBondContact O-CD2 3.32Å; W91-F95 PolarHBondContact O-N 2.9Å; W91-S97 WeakPolarHBondContact CZ3-OG 3.38Å
92C96.4Very high96.2Very high5 Ų547.5 Ų47.53%0.03426%0.26CS..Hα-helixtrans-62.7-39.7178.6-68.50000112.8D88 L89 Q96 S97 E98 L103D88-C92 WeakPolarHBondContact O-CB 3.37Å; D88-C92 PolarHBondContact O-N 2.82Å; D88-C92 PolarHBondContact O-SG 3.36Å; L89-C92 PolarHBondContact O-N 3.45Å; C92-Q96 WeakPolarHBondContact O-CA 3.44Å; C92-Q96 PolarHBondContact O-N 2.8Å; C92-S97 WeakPolarHBondContact CA-OG 3.46Å; C92-S97 PolarHBondContact O-N 3.05Å; C92-E98 HydrophobicContact CB-CB 4.39Å; C92-E98 HydrophobicContact CB-CG 4.46Å; C92-L103 HydrophobicContact CB-CD2 3.75Å
93I96.3Very high96.1Very high90 Ų9049.1 Ų49.146%0.46227%0.269SS..Hα-helixtrans-69.4-43.4175.7-68.4169.6000110.6L89 G90 W91 Q96 L103L89-I93 HydrophobicContact CD1-CD1 3.93Å; L89-I93 HydrophobicContact CD1-CG1 4.21Å; L89-I93 HydrophobicContact CG-CD1 3.87Å; L89-I93 VanDerWaalsContact O-CG1 3.32Å; L89-I93 WeakPolarHBondContact O-CG1 3.48Å; L89-I93 PolarHBondContact O-N 3.47Å; G90-I93 PolarHBondContact O-N 2.88Å; W91-I93 PolarHBondContact O-N 3.37Å; I93-Q96 PolarHBondContact O-NE2 2.79Å; I93-L103 HydrophobicContact CG1-CD2 4.36Å
94Y96.6Very high96.1Very high187 Ų18751 Ų5173%0.73329%0.285SS*.Hα-helixtrans-67.2-44.8-177.8-177.7-92.4000112.2G90 W91G90-Y94 VanDerWaalsContact O-CB 3.3Å; G90-Y94 WeakPolarHBondContact O-CB 3.15Å; G90-Y94 PolarHBondContact O-N 2.7Å; W91-Y94 PolarHBondContact O-N 2.81Å
95F95.3Very high96Very high91 Ų9151.2 Ų51.240%0.39929%0.285SS..Hα-helixtrans-91.5-5.2-177.9-72.7-76.5000114.3W91 S97W91-F95 AromaticContact CD1-CD2 3.72Å; W91-F95 AromaticContact CD1-CE2 3.66Å; W91-F95 AromaticContact CD2-CD2 3.63Å; W91-F95 HydrophobicContact CD2-CD2 3.63Å; W91-F95 HydrophobicContact CD2-CE2 4.29Å; W91-F95 HydrophobicContact CD2-CG 4.43Å; W91-F95 AromaticContact CE2-CD2 3.25Å; W91-F95 AromaticContact CE2-CE2 3.63Å; W91-F95 HydrophobicContact CE3-CD2 4.37Å; W91-F95 AromaticContact CG-CD2 3.86Å; W91-F95 HydrophobicContact CG-CD2 3.86Å; W91-F95 HydrophobicContact CG-CE2 4.26Å; W91-F95 HydrophobicContact CH2-CB 4.19Å; W91-F95 HydrophobicContact CH2-CD2 4.34Å; W91-F95 HydrophobicContact CH2-CG 4.32Å; W91-F95 HydrophobicContact CZ2-CB 4.28Å; W91-F95 AromaticContact CZ2-CD2 3.63Å; W91-F95 HydrophobicContact CZ2-CD2 3.63Å; W91-F95 HydrophobicContact CZ2-CE2 4.11Å; W91-F95 AromaticContact CZ2-CG 3.92Å; W91-F95 HydrophobicContact CZ2-CG 3.92Å; W91-F95 HydrophobicContact CZ3-CB 4.37Å; W91-F95 AromaticContact NE1-CD2 3.36Å; W91-F95 AromaticContact NE1-CE2 3.23Å; W91-F95 WeakPolarHBondContact O-CD2 3.32Å; W91-F95 PolarHBondContact O-N 2.9Å; F95-S97 PolarHBondContact O-N 2.85Å
96Q94.3Very high95.9Very high143 Ų14351.8 Ų51.867%0.66829%0.288SS*.THydrogen-bonded Turntrans51.239-176.7-61.4-70-52.100112.2C92 I93C92-Q96 WeakPolarHBondContact O-CA 3.44Å; C92-Q96 PolarHBondContact O-N 2.8Å; I93-Q96 PolarHBondContact O-NE2 2.79Å
97S88Confident95.9Very high35 Ų3551.5 Ų51.525%0.24529%0.289CS..  trans-81.5-21.4-170.1550000113.9W91 C92 F95W91-S97 WeakPolarHBondContact CZ3-OG 3.38Å; C92-S97 WeakPolarHBondContact CA-OG 3.46Å; C92-S97 PolarHBondContact O-N 3.05Å; F95-S97 PolarHBondContact O-N 2.85Å
98E92.6Very high95.9Very high48 Ų4853.6 Ų53.622%0.22430%0.301CS..SBendtrans-128.2152.3-172.1-66.5-64.2167.300112.1R37 C92 M102R37-E98 IonicContact CZ-OE1 2.62Å; R37-E98 IonicContact NH1-OE1 3.19Å; R37-E98 PolarHBondContact NH1-OE1 3.38Å; R37-E98 IonicContact NH2-OE1 3.84Å; R37-E98 PolarHBondContact NH2-OE1 3.38Å; C92-E98 HydrophobicContact CB-CB 4.39Å; C92-E98 HydrophobicContact CB-CG 4.46Å; E98-M102 HydrophobicContact CB-CB 3.94Å; E98-M102 HydrophobicContact CB-CG 4.09Å; E98-M102 HydrophobicContact CG-CG 4.15Å
99G93.3Very high95.9Very high46 Ų4653.9 Ų53.947%0.47430%0.304SS..  trans-78.2165-179.700000114.1L101 M102 L103G99-L101 PolarHBondContact O-N 2.84Å; G99-L101 VanDerWaalsContact O-N 3.1Å; G99-M102 WeakPolarHBondContact O-CB 3.27Å; G99-M102 PolarHBondContact O-N 3.15Å; G99-L103 PolarHBondContact O-N 2.88Å; G99-L103 VanDerWaalsContact O-N 3.15Å
100A95.1Very high95.9Very high81 Ų8153.6 Ų53.667%0.66930%0.302SS*.Hα-helixtrans-54-34.2-177.100000114.6M102 L103 A104A100-M102 VanDerWaalsContact C-N 3.34Å; A100-M102 PolarHBondContact O-N 3.17Å; A100-L103 PolarHBondContact O-N 2.82Å; A100-A104 WeakPolarHBondContact O-CB 3.46Å; A100-A104 PolarHBondContact O-N 3.08Å
101L95.3Very high95.9Very high54 Ų5456.3 Ų56.328%0.28331%0.307SS..Hα-helixtrans-65.7-37.1177.5-175.962.8000112.2G99 H105 V203 C206 F207G99-L101 PolarHBondContact O-N 2.84Å; G99-L101 VanDerWaalsContact O-N 3.1Å; L101-H105 PolarHBondContact O-N 3.25Å; L101-V203 HydrophobicContact CD1-CG1 4.03Å; L101-C206 HydrophobicContact CD1-CB 3.72Å; L101-C206 HydrophobicContact CD2-CB 3.98Å; L101-F207 HydrophobicContact CB-CE1 4.35Å; L101-F207 HydrophobicContact CB-CZ 4.43Å; L101-F207 HydrophobicContact CD2-CD1 3.46Å; L101-F207 VanDerWaalsContact CD2-CD1 3.46Å; L101-F207 HydrophobicContact CD2-CD2 4.32Å; L101-F207 HydrophobicContact CD2-CE1 3.58Å; L101-F207 HydrophobicContact CD2-CE2 4.43Å; L101-F207 HydrophobicContact CD2-CG 3.85Å; L101-F207 HydrophobicContact CD2-CZ 4.08Å; L101-F207 HydrophobicContact CG-CD1 4.06Å; L101-F207 HydrophobicContact CG-CD2 4.38Å; L101-F207 HydrophobicContact CG-CE1 3.7Å; L101-F207 HydrophobicContact CG-CE2 4.07Å; L101-F207 HydrophobicContact CG-CG 4.37Å; L101-F207 HydrophobicContact CG-CZ 3.71Å
102M95.8Very high95.9Very high30 Ų3056.5 Ų56.515%0.14832%0.315CS..Hα-helixtrans-68.8-46.1174.6-156.778.8-101.700110.1E98 G99 A100 A104 H105 H106 F207E98-M102 HydrophobicContact CB-CB 3.94Å; E98-M102 HydrophobicContact CB-CG 4.09Å; E98-M102 HydrophobicContact CG-CG 4.15Å; G99-M102 WeakPolarHBondContact O-CB 3.27Å; G99-M102 PolarHBondContact O-N 3.15Å; A100-M102 VanDerWaalsContact C-N 3.34Å; A100-M102 PolarHBondContact O-N 3.17Å; M102-A104 VanDerWaalsContact C-N 3.28Å; M102-A104 PolarHBondContact O-N 3.19Å; M102-H105 HydrophobicContact CE-CB 4.03Å; M102-H105 WeakPolarHBondContact CE-CD2 3.3Å; M102-H105 WeakPolarHBondContact O-CB 3.36Å; M102-H105 PolarHBondContact O-N 3.31Å; M102-H105 VanDerWaalsContact O-N 3.09Å; M102-H106 PolarHBondContact O-CD2 2.93Å; M102-H106 PolarHBondContact O-N 2.88Å; M102-F207 HydrophobicContact CE-CE1 4.43Å; M102-F207 HydrophobicContact CE-CE2 4.08Å; M102-F207 HydrophobicContact CE-CZ 3.56Å; M102-F207 HydrophobicContact SD-CE1 4.22Å; M102-F207 HydrophobicContact SD-CZ 3.84Å
103L96.5Very high96Very high42 Ų4256.5 Ų56.522%0.2232%0.315CS..Hα-helixtrans-59.4-40.1176.7-60.2179.3000112.1L89 C92 I93 G99 A100 H106 T107L89-L103 HydrophobicContact CD1-CD2 3.79Å; C92-L103 HydrophobicContact CB-CD2 3.75Å; I93-L103 HydrophobicContact CG1-CD2 4.36Å; G99-L103 PolarHBondContact O-N 2.88Å; G99-L103 VanDerWaalsContact O-N 3.15Å; A100-L103 PolarHBondContact O-N 2.82Å; L103-H106 PolarHBondContact O-N 3.28Å; L103-T107 WeakPolarHBondContact O-CB 3.35Å; L103-T107 PolarHBondContact O-N 3.32Å; L103-T107 PolarHBondContact O-OG1 2.87Å
104A96.7Very high96.1Very high41 Ų4156 Ų5634%0.33931%0.313SS..Hα-helixtrans-63.4-43.5174.800000111.9A100 M102 T107 L108A100-A104 WeakPolarHBondContact O-CB 3.46Å; A100-A104 PolarHBondContact O-N 3.08Å; M102-A104 VanDerWaalsContact C-N 3.28Å; M102-A104 PolarHBondContact O-N 3.19Å; A104-T107 PolarHBondContact O-N 2.89Å; A104-L108 WeakPolarHBondContact O-CB 3.28Å; A104-L108 WeakPolarHBondContact O-CG 3.35Å; A104-L108 PolarHBondContact O-N 2.67Å
105H97.1Very high96.1Very high4 Ų449.7 Ų49.72%0.01929%0.29CS..Hα-helixtrans-57-51.7173.3173.460.6000111.9L101 M102 T107 L108 S109 M200 V203 F207L101-H105 PolarHBondContact O-N 3.25Å; M102-H105 HydrophobicContact CE-CB 4.03Å; M102-H105 WeakPolarHBondContact CE-CD2 3.3Å; M102-H105 WeakPolarHBondContact O-CB 3.36Å; M102-H105 PolarHBondContact O-N 3.31Å; M102-H105 VanDerWaalsContact O-N 3.09Å; H105-T107 VanDerWaalsContact C-N 3.33Å; H105-T107 PolarHBondContact O-N 3.41Å; H105-L108 PolarHBondContact O-N 3.25Å; H105-S109 WeakPolarHBondContact O-CB 3.36Å; H105-S109 PolarHBondContact O-N 2.95Å; H105-S109 PolarHBondContact O-OG 2.95Å; H105-M200 WeakPolarHBondContact CE1-CE 3.33Å; H105-M200 WeakPolarHBondContact ND1-CE 3.18Å; H105-M200 PolarHBondContact ND1-SD 3.49Å; H105-V203 HydrophobicContact CB-CG1 3.89Å; H105-F207 HydrophobicContact CB-CE2 3.97Å; H105-F207 HydrophobicContact CB-CZ 4.36Å
106H97.4Very high96.2Very high16 Ų1645.4 Ų45.47%0.07427%0.272CS..Hα-helixtrans-62-41.8180-77.9-112000111.7F85 D88 L89 M102 L103 S109 I110F85-H106 AromaticContact CD1-CE1 3.94Å; F85-H106 AromaticContact CD1-ND1 3.61Å; D88-H106 IonicContact OD2-CE1 2.8Å; D88-H106 PolarHBondContact OD2-CE1 3.06Å; D88-H106 IonicContact OD2-ND1 2.79Å; D88-H106 PolarHBondContact OD2-ND1 3.4Å; D88-H106 IonicContact OD2-NE2 2.7Å; L89-H106 HydrophobicContact CD1-CB 4.12Å; M102-H106 PolarHBondContact O-CD2 2.93Å; M102-H106 PolarHBondContact O-N 2.88Å; L103-H106 PolarHBondContact O-N 3.28Å; H106-S109 PolarHBondContact O-N 2.95Å; H106-I110 WeakPolarHBondContact O-CB 3.37Å; H106-I110 VanDerWaalsContact O-CG1 3.28Å; H106-I110 WeakPolarHBondContact O-CG1 3.35Å; H106-I110 PolarHBondContact O-N 3.25Å
107T97.7Very high96.3Very high61 Ų6139.4 Ų39.437%0.37424%0.244SC..Hα-helixtrans-61.8-47.2177.5-56.30000111.1L103 A104 H105 S109 I110 L111L103-T107 WeakPolarHBondContact O-CB 3.35Å; L103-T107 PolarHBondContact O-N 3.32Å; L103-T107 PolarHBondContact O-OG1 2.87Å; A104-T107 PolarHBondContact O-N 2.89Å; H105-T107 VanDerWaalsContact C-N 3.33Å; H105-T107 PolarHBondContact O-N 3.41Å; T107-S109 PolarHBondContact O-N 3.06Å; T107-I110 PolarHBondContact O-N 2.94Å; T107-L111 HydrophobicContact CG2-CD1 4.12Å; T107-L111 VanDerWaalsContact O-CG 3.27Å; T107-L111 WeakPolarHBondContact O-CG 3.31Å; T107-L111 PolarHBondContact O-N 3.35Å
108L97.7Very high96.8Very high57 Ų5741.8 Ų41.830%0.29827%0.266SS..Hα-helixtrans-64-40.5176.9-72.5173.4000112.1A104 H105 L111 G112 A199 V203A104-L108 WeakPolarHBondContact O-CB 3.28Å; A104-L108 WeakPolarHBondContact O-CG 3.35Å; A104-L108 PolarHBondContact O-N 2.67Å; H105-L108 PolarHBondContact O-N 3.25Å; L108-L111 PolarHBondContact O-N 2.82Å; L108-G112 PolarHBondContact O-N 2.76Å; L108-A199 HydrophobicContact CD1-CB 4.29Å; L108-A199 HydrophobicContact CD2-CB 4.36Å; L108-V203 HydrophobicContact CD1-CG2 3.72Å
109S97.9Very high96.9Very high16 Ų1642 Ų4211%0.11227%0.268CS..Hα-helixtrans-60.6-45.7175.2-63.40000111.7H105 H106 T107 G112 I113H105-S109 WeakPolarHBondContact O-CB 3.36Å; H105-S109 PolarHBondContact O-N 2.95Å; H105-S109 PolarHBondContact O-OG 2.95Å; H106-S109 PolarHBondContact O-N 2.95Å; T107-S109 PolarHBondContact O-N 3.06Å; S109-G112 PolarHBondContact O-N 2.86Å; S109-I113 WeakPolarHBondContact O-CB 3.5Å; S109-I113 WeakPolarHBondContact O-CD1 3.26Å; S109-I113 VanDerWaalsContact O-CG1 3.23Å; S109-I113 WeakPolarHBondContact O-CG1 3.45Å; S109-I113 PolarHBondContact O-N 3.25Å
110I98.5Very high97.1Very high20 Ų2041.2 Ų41.210%0.10326%0.261CS..Hα-helixtrans-59.7-48.7175.7-72.5167.5000110.7L82 F85 L89 H106 T107 G112 I113 I114L82-I110 HydrophobicContact CD1-CB 4.33Å; L82-I110 HydrophobicContact CD1-CG1 4.28Å; L82-I110 HydrophobicContact CD1-CG2 3.9Å; F85-I110 HydrophobicContact CB-CD1 4.04Å; F85-I110 HydrophobicContact CB-CG1 3.61Å; F85-I110 HydrophobicContact CG-CG1 4.49Å; L89-I110 HydrophobicContact CB-CD1 4.17Å; L89-I110 HydrophobicContact CD2-CD1 3.54Å; L89-I110 HydrophobicContact CG-CD1 4.49Å; H106-I110 WeakPolarHBondContact O-CB 3.37Å; H106-I110 VanDerWaalsContact O-CG1 3.28Å; H106-I110 WeakPolarHBondContact O-CG1 3.35Å; H106-I110 PolarHBondContact O-N 3.25Å; T107-I110 PolarHBondContact O-N 2.94Å; I110-G112 PolarHBondContact O-N 3.42Å; I110-I113 PolarHBondContact O-N 2.88Å; I110-I114 HydrophobicContact CG2-CD1 3.67Å; I110-I114 HydrophobicContact CG2-CG1 4.43Å; I110-I114 WeakPolarHBondContact O-CB 3.4Å; I110-I114 VanDerWaalsContact O-CG1 3.29Å; I110-I114 WeakPolarHBondContact O-CG1 3.31Å; I110-I114 PolarHBondContact O-N 3.2Å
111L98.1Very high97.2Very high95 Ų9540.5 Ų40.550%0.49724%0.244SC..Hα-helixtrans-62.7-42.8180-69.1173.7000111.9T107 L108 I114 M115T107-L111 HydrophobicContact CG2-CD1 4.12Å; T107-L111 VanDerWaalsContact O-CG 3.27Å; T107-L111 WeakPolarHBondContact O-CG 3.31Å; T107-L111 PolarHBondContact O-N 3.35Å; L108-L111 PolarHBondContact O-N 2.82Å; L111-I114 PolarHBondContact O-N 2.98Å; L111-M115 WeakPolarHBondContact O-CB 3.49Å; L111-M115 PolarHBondContact O-N 3.41Å
112G97.7Very high97.2Very high24 Ų2438 Ų3825%0.24723%0.231CC..Hα-helixtrans-63.7-41.8177.400000112.7L108 S109 I110 M115 A116L108-G112 PolarHBondContact O-N 2.76Å; S109-G112 PolarHBondContact O-N 2.86Å; I110-G112 PolarHBondContact O-N 3.42Å; G112-M115 WeakPolarHBondContact O-CB 3.28Å; G112-M115 PolarHBondContact O-N 3.35Å; G112-A116 PolarHBondContact O-N 3.48Å
113I98.3Very high97.3Very high6 Ų636.6 Ų36.63%0.03122%0.224CC..Hα-helixtrans-67.5-46.8176.7-65.9165.6000111.1L78 T81 L82 F85 S109 I110 M115 A116 L117 V126L78-I113 HydrophobicContact CB-CG2 3.92Å; L78-I113 HydrophobicContact CD2-CG1 4.08Å; L78-I113 HydrophobicContact CD2-CG2 4.13Å; L78-I113 WeakPolarHBondContact O-CG2 3.06Å; T81-I113 HydrophobicContact CG2-CD1 3.69Å; L82-I113 HydrophobicContact CB-CG2 3.87Å; L82-I113 HydrophobicContact CD1-CG2 4.45Å; L82-I113 HydrophobicContact CD2-CG2 4.28Å; L82-I113 HydrophobicContact CG-CG2 4.43Å; F85-I113 HydrophobicContact CD2-CD1 3.73Å; F85-I113 HydrophobicContact CE2-CD1 3.87Å; S109-I113 WeakPolarHBondContact O-CB 3.5Å; S109-I113 WeakPolarHBondContact O-CD1 3.26Å; S109-I113 VanDerWaalsContact O-CG1 3.23Å; S109-I113 WeakPolarHBondContact O-CG1 3.45Å; S109-I113 PolarHBondContact O-N 3.25Å; I110-I113 PolarHBondContact O-N 2.88Å; I113-M115 PolarHBondContact O-N 3.43Å; I113-A116 PolarHBondContact O-N 2.8Å; I113-L117 HydrophobicContact CG2-CD1 3.85Å; I113-L117 HydrophobicContact CG2-CG 4.3Å; I113-L117 WeakPolarHBondContact O-CB 3.28Å; I113-L117 WeakPolarHBondContact O-CG 3.44Å; I113-L117 PolarHBondContact O-N 3.13Å; I113-V126 HydrophobicContact CG1-CG1 4.09Å
114I97.9Very high97.3Very high79 Ų7934.7 Ų34.741%0.40521%0.214SC..Hα-helixtrans-57.2-42.5175.9-72.5171.2000110.2L82 I110 L111 L117 A118L82-I114 HydrophobicContact CD1-CD1 4.33Å; L82-I114 HydrophobicContact CD1-CG1 3.97Å; L82-I114 HydrophobicContact CD2-CG1 3.76Å; I110-I114 HydrophobicContact CG2-CD1 3.67Å; I110-I114 HydrophobicContact CG2-CG1 4.43Å; I110-I114 WeakPolarHBondContact O-CB 3.4Å; I110-I114 VanDerWaalsContact O-CG1 3.29Å; I110-I114 WeakPolarHBondContact O-CG1 3.31Å; I110-I114 PolarHBondContact O-N 3.2Å; L111-I114 PolarHBondContact O-N 2.98Å; I114-L117 PolarHBondContact O-N 3.07Å; I114-A118 WeakPolarHBondContact O-CB 3.25Å; I114-A118 PolarHBondContact O-N 3.48Å
115M96.9Very high97.3Very high54 Ų5432.9 Ų32.927%0.26620%0.198SC..Hα-helixtrans-61.1-51.1178.3-177.2-172.9-61.700111.8L111 G112 I113 L117 A118 L119 F192 V193L111-M115 WeakPolarHBondContact O-CB 3.49Å; L111-M115 PolarHBondContact O-N 3.41Å; G112-M115 WeakPolarHBondContact O-CB 3.28Å; G112-M115 PolarHBondContact O-N 3.35Å; I113-M115 PolarHBondContact O-N 3.43Å; M115-L117 VanDerWaalsContact C-N 3.33Å; M115-L117 PolarHBondContact O-N 3.45Å; M115-A118 PolarHBondContact O-N 2.86Å; M115-L119 HydrophobicContact CG-CD1 3.95Å; M115-L119 HydrophobicContact CG-CG 4.48Å; M115-L119 WeakPolarHBondContact O-CB 3.16Å; M115-L119 VanDerWaalsContact O-CG 3.26Å; M115-L119 WeakPolarHBondContact O-CG 3.38Å; M115-L119 PolarHBondContact O-N 3.09Å; M115-F192 HydrophobicContact CE-CD2 3.88Å; M115-F192 HydrophobicContact CE-CE2 4.38Å; M115-F192 HydrophobicContact CG-CD2 4.22Å; M115-F192 HydrophobicContact CG-CE2 3.79Å; M115-F192 HydrophobicContact SD-CD2 3.46Å; M115-F192 WeakPolarHBondContact SD-CD2 3.41Å; M115-F192 HydrophobicContact SD-CE2 3.63Å; M115-V193 HydrophobicContact SD-CB 4.42Å; M115-V193 HydrophobicContact SD-CG2 3.82Å
116A97.4Very high97.3Very high2 Ų233.8 Ų33.82%0.01720%0.204CC..Hα-helixtrans-60.9-41.5178.100000112.1N70 L78 G112 I113 G120 E121 V126N70-A116 PolarHBondContact ND2-O 3.28Å; L78-A116 HydrophobicContact CD1-CB 4.26Å; G112-A116 PolarHBondContact O-N 3.48Å; I113-A116 PolarHBondContact O-N 2.8Å; A116-G120 PolarHBondContact O-N 2.85Å; A116-E121 WeakPolarHBondContact CA-O 3.42Å; A116-V126 HydrophobicContact CB-CB 4.29Å; A116-V126 HydrophobicContact CB-CG2 3.95Å
117L97.6Very high97.3Very high17 Ų1733.2 Ų33.29%0.08920%0.202CC..Hα-helixtrans-65.6-41.3177-71.2174.6000112.6L5 V75 L78 L82 I113 I114 M115L5-L117 HydrophobicContact CD2-CD2 4.39Å; V75-L117 HydrophobicContact CB-CD2 4.41Å; V75-L117 HydrophobicContact CG1-CD2 3.97Å; V75-L117 HydrophobicContact CG2-CD2 4.43Å; L78-L117 HydrophobicContact CB-CD1 4.36Å; L78-L117 HydrophobicContact CB-CD2 3.87Å; L78-L117 HydrophobicContact CB-CG 4.16Å; L78-L117 HydrophobicContact CD1-CD2 4.21Å; L78-L117 HydrophobicContact CD1-CG 4.49Å; L82-L117 HydrophobicContact CD2-CD1 3.94Å; I113-L117 HydrophobicContact CG2-CD1 3.85Å; I113-L117 HydrophobicContact CG2-CG 4.3Å; I113-L117 WeakPolarHBondContact O-CB 3.28Å; I113-L117 WeakPolarHBondContact O-CG 3.44Å; I113-L117 PolarHBondContact O-N 3.13Å; I114-L117 PolarHBondContact O-N 3.07Å; M115-L117 VanDerWaalsContact C-N 3.33Å; M115-L117 PolarHBondContact O-N 3.45Å
118A96.6Very high97.3Very high85 Ų8531.1 Ų31.170%0.70219%0.191SC*.Hα-helixtrans-71.4-35.4-179.600000112.5I114 M115I114-A118 WeakPolarHBondContact O-CB 3.25Å; I114-A118 PolarHBondContact O-N 3.48Å; M115-A118 PolarHBondContact O-N 2.86Å
119L95.8Very high97.3Very high51 Ų5131 Ų3127%0.26719%0.192SC..Hα-helixtrans-76.4-29.2176.3-67174.3000112.9M115 E121 K190 F192 V193M115-L119 HydrophobicContact CG-CD1 3.95Å; M115-L119 HydrophobicContact CG-CG 4.48Å; M115-L119 WeakPolarHBondContact O-CB 3.16Å; M115-L119 VanDerWaalsContact O-CG 3.26Å; M115-L119 WeakPolarHBondContact O-CG 3.38Å; M115-L119 PolarHBondContact O-N 3.09Å; L119-E121 HydrophobicContact CB-CB 4.4Å; L119-E121 PolarHBondContact O-N 3.34Å; L119-K190 HydrophobicContact CD1-CD 4.34Å; L119-K190 HydrophobicContact CD2-CD 4.11Å; L119-F192 HydrophobicContact CD1-CE2 3.71Å; L119-F192 HydrophobicContact CD1-CZ 3.8Å; L119-F192 HydrophobicContact CD2-CE2 4.33Å; L119-F192 HydrophobicContact CD2-CZ 3.81Å; L119-F192 HydrophobicContact CG-CE2 4.45Å; L119-F192 HydrophobicContact CG-CZ 4.37Å; L119-V193 HydrophobicContact CD1-CG2 3.93Å
120G96.8Very high97.2Very high31 Ų3130.5 Ų30.532%0.3219%0.188SC..THydrogen-bonded Turntrans71.712.8-169.900000113.5N70 A116N70-G120 PolarHBondContact N-O 3.06Å; N70-G120 VanDerWaalsContact ND2-C 3.33Å; N70-G120 WeakPolarHBondContact ND2-CA 3.48Å; A116-G120 PolarHBondContact O-N 2.85Å
121E96.9Very high97.2Very high65 Ų6531.5 Ų31.530%0.30419%0.192SC..BIsolated β-bridgetrans-136.3167.8-177.9-64.8167.2170.300109S68 N70 A116 L119 G123 K190S68-E121 WeakPolarHBondContact O-CA 3.43Å; N70-E121 PolarHBondContact ND2-N 2.96Å; N70-E121 VanDerWaalsContact OD1-CA 3.27Å; N70-E121 WeakPolarHBondContact OD1-CA 3.29Å; N70-E121 PolarHBondContact OD1-N 3.32Å; N70-E121 PolarHBondContact OD1-O 3.03Å; A116-E121 WeakPolarHBondContact CA-O 3.42Å; L119-E121 HydrophobicContact CB-CB 4.4Å; L119-E121 PolarHBondContact O-N 3.34Å; E121-G123 PolarHBondContact O-N 3.08Å; E121-K190 VanDerWaalsContact OE2-CE 3.26Å; E121-K190 WeakPolarHBondContact OE2-CE 3.38Å; E121-K190 IonicContact OE2-NZ 2.96Å; E121-K190 PolarHBondContact OE2-NZ 3.39Å
122S97.1Very high97.1Very high2 Ų227.6 Ų27.61%0.01418%0.175CC..  trans70.38.1175.1-45.80000115.7S68 N70 T124 E125 V126S68-S122 PolarHBondContact O-N 2.92Å; N70-S122 PolarHBondContact OD1-N 3.39Å; S122-T124 PolarHBondContact O-N 3.47Å; S122-E125 WeakPolarHBondContact CA-OE1 3.43Å; S122-E125 VanDerWaalsContact CA-OE2 3.31Å; S122-E125 WeakPolarHBondContact CA-OE2 3.2Å; S122-E125 WeakPolarHBondContact CB-OE1 3.29Å; S122-E125 VanDerWaalsContact O-CD 3.27Å; S122-E125 WeakPolarHBondContact O-CG 3.45Å; S122-E125 PolarHBondContact OG-OE1 3.37Å; S122-V126 WeakPolarHBondContact O-CG2 3.12Å; S122-V126 PolarHBondContact O-N 2.91Å; S122-V126 VanDerWaalsContact O-N 3.11Å
123G96.6Very high97Very high0 Ų026.9 Ų26.90%017%0.166CC..Hα-helixtrans-65-21.5176.100000113.1N70 E121 N127N70-G123 WeakPolarHBondContact OD1-CA 3.38Å; N70-G123 PolarHBondContact OD1-N 2.93Å; E121-G123 PolarHBondContact O-N 3.08Å; G123-N127 WeakPolarHBondContact O-CB 3.33Å; G123-N127 PolarHBondContact O-N 2.78Å
124T96.5Very high96.9Very high3 Ų326.9 Ų26.92%0.01817%0.166CC..Hα-helixtrans-67.6-54.8178.6-58.40000111.3P60 P62 Q74 S122 A128P60-T124 HydrophobicContact CG-CG2 3.96Å; P60-T124 VanDerWaalsContact CG-OG1 3.3Å; P60-T124 WeakPolarHBondContact CG-OG1 3.49Å; P60-T124 WeakPolarHBondContact O-CG2 3.37Å; P62-T124 HydrophobicContact CB-CG2 4.03Å; Q74-T124 PolarHBondContact NE2-OG1 3.27Å; S122-T124 PolarHBondContact O-N 3.47Å; T124-A128 PolarHBondContact O-N 3.02Å
125E96.2Very high96.8Very high2 Ų224.8 Ų24.81%0.00916%0.155CC..Hα-helixtrans-69.9-37.9176.960.2-89.6-139.700111.9P66 G67 S122 N127 A128 V129P66-E125 WeakPolarHBondContact CA-OE2 3.46Å; P66-E125 HydrophobicContact CB-CB 4.43Å; G67-E125 WeakPolarHBondContact CA-OE1 3.25Å; G67-E125 PolarHBondContact N-OE1 3.31Å; G67-E125 PolarHBondContact N-OE2 2.73Å; S122-E125 WeakPolarHBondContact CA-OE1 3.43Å; S122-E125 VanDerWaalsContact CA-OE2 3.31Å; S122-E125 WeakPolarHBondContact CA-OE2 3.2Å; S122-E125 WeakPolarHBondContact CB-OE1 3.29Å; S122-E125 VanDerWaalsContact O-CD 3.27Å; S122-E125 WeakPolarHBondContact O-CG 3.45Å; S122-E125 PolarHBondContact OG-OE1 3.37Å; E125-N127 VanDerWaalsContact C-N 3.33Å; E125-N127 PolarHBondContact O-N 2.76Å; E125-A128 WeakPolarHBondContact O-CB 3.44Å; E125-A128 PolarHBondContact O-N 2.9Å; E125-A128 VanDerWaalsContact O-N 3.16Å; E125-V129 WeakPolarHBondContact O-CG2 3.31Å; E125-V129 PolarHBondContact O-N 3.25Å
126V97.5Very high96.8Very high24 Ų2422.3 Ų22.315%0.14514%0.143CC..Hα-helixtrans-64.5-39.3176.6174.50000111L78 I113 A116 S122 V129 L130L78-V126 HydrophobicContact CD2-CB 4.46Å; L78-V126 HydrophobicContact CD2-CG1 3.64Å; I113-V126 HydrophobicContact CG1-CG1 4.09Å; A116-V126 HydrophobicContact CB-CB 4.29Å; A116-V126 HydrophobicContact CB-CG2 3.95Å; S122-V126 WeakPolarHBondContact O-CG2 3.12Å; S122-V126 PolarHBondContact O-N 2.91Å; S122-V126 VanDerWaalsContact O-N 3.11Å; V126-V129 PolarHBondContact O-N 3.17Å; V126-L130 WeakPolarHBondContact O-CB 3.43Å; V126-L130 PolarHBondContact O-N 3.49Å
127N97.8Very high96.7Very high3 Ų323 Ų232%0.01615%0.147CC..Hα-helixtrans-68.1-34.4174.1-177.177.9000112.3S51 I54 G123 E125 L130 F131S51-N127 VanDerWaalsContact CB-OD1 3.29Å; S51-N127 WeakPolarHBondContact CB-OD1 3.33Å; S51-N127 PolarHBondContact O-ND2 2.64Å; I54-N127 WeakPolarHBondContact CB-ND2 3.36Å; G123-N127 WeakPolarHBondContact O-CB 3.33Å; G123-N127 PolarHBondContact O-N 2.78Å; E125-N127 VanDerWaalsContact C-N 3.33Å; E125-N127 PolarHBondContact O-N 2.76Å; N127-L130 WeakPolarHBondContact O-CB 3.39Å; N127-L130 PolarHBondContact O-N 2.88Å; N127-F131 PolarHBondContact O-N 3.05Å
128A97.3Very high96.7Very high18 Ų1823.1 Ų23.115%0.14915%0.148CC..Hα-helixtrans-68-40.2173.800000112.3P62 T124 E125 L130 F131 G132 L179P62-A128 HydrophobicContact CB-CB 3.49Å; P62-A128 VanDerWaalsContact CB-CB 3.49Å; P62-A128 HydrophobicContact CG-CB 3.67Å; T124-A128 PolarHBondContact O-N 3.02Å; E125-A128 WeakPolarHBondContact O-CB 3.44Å; E125-A128 PolarHBondContact O-N 2.9Å; E125-A128 VanDerWaalsContact O-N 3.16Å; A128-L130 VanDerWaalsContact C-N 3.34Å; A128-F131 PolarHBondContact O-N 3.24Å; A128-G132 PolarHBondContact O-N 3.06Å; A128-L179 HydrophobicContact CB-CD1 4.25Å; A128-L179 HydrophobicContact CB-CD2 3.81Å
129V97.2Very high96.7Very high53 Ų5320 Ų2032%0.32112%0.119SC..Hα-helixtrans-62.1-43.5171.4171.30000110.1E125 V126 F131 G132 S133 L179 M200E125-V129 WeakPolarHBondContact O-CG2 3.31Å; E125-V129 PolarHBondContact O-N 3.25Å; V126-V129 PolarHBondContact O-N 3.17Å; V129-F131 PolarHBondContact O-N 3.25Å; V129-G132 PolarHBondContact O-N 3.38Å; V129-S133 VanDerWaalsContact O-CB 3.31Å; V129-S133 WeakPolarHBondContact O-CB 3.16Å; V129-S133 PolarHBondContact O-N 2.9Å; V129-S133 PolarHBondContact O-OG 3.42Å; V129-L179 HydrophobicContact CG2-CD2 3.79Å; V129-M200 HydrophobicContact CG1-CG 4.26Å
130L97.6Very high96.7Very high6 Ų619.9 Ų19.93%0.03112%0.119CC..Hα-helixtrans-57.5-48.3175.1176.663.2000111.8I77 T81 F85 V126 N127 A128 S133 E134I77-L130 HydrophobicContact CG2-CD2 3.95Å; T81-L130 HydrophobicContact CG2-CD1 3.5Å; T81-L130 HydrophobicContact CG2-CD2 4Å; T81-L130 HydrophobicContact CG2-CG 4.41Å; T81-L130 WeakPolarHBondContact OG1-CD2 3.48Å; F85-L130 HydrophobicContact CE2-CD1 4.44Å; V126-L130 WeakPolarHBondContact O-CB 3.43Å; V126-L130 PolarHBondContact O-N 3.49Å; N127-L130 WeakPolarHBondContact O-CB 3.39Å; N127-L130 PolarHBondContact O-N 2.88Å; A128-L130 VanDerWaalsContact C-N 3.34Å; L130-S133 PolarHBondContact O-N 2.89Å; L130-S133 PolarHBondContact O-OG 3.19Å; L130-S133 VanDerWaalsContact O-OG 3.05Å; L130-E134 HydrophobicContact CD1-CG 3.76Å; L130-E134 WeakPolarHBondContact O-CB 3.39Å; L130-E134 WeakPolarHBondContact O-CG 3.35Å; L130-E134 PolarHBondContact O-N 3.43Å
131F97.8Very high96.7Very high41 Ų4118.5 Ų18.518%0.1810%0.104CC..Hα-helixtrans-56.8-54.4175.3174.4-104.2000111.4I48 S51 A52 F56 N127 A128 V129 S133 E134 I135I48-F131 HydrophobicContact CG2-CD2 4.21Å; I48-F131 HydrophobicContact CG2-CE2 3.81Å; S51-F131 WeakPolarHBondContact OG-CA 3.5Å; S51-F131 VanDerWaalsContact OG-CB 3.25Å; S51-F131 WeakPolarHBondContact OG-CB 3.41Å; S51-F131 WeakPolarHBondContact OG-CD2 3.44Å; A52-F131 HydrophobicContact CB-CD2 4.02Å; A52-F131 HydrophobicContact CB-CE2 3.7Å; F56-F131 HydrophobicContact CE2-CE1 4.39Å; F56-F131 HydrophobicContact CE2-CZ 4.21Å; N127-F131 PolarHBondContact O-N 3.05Å; A128-F131 PolarHBondContact O-N 3.24Å; V129-F131 PolarHBondContact O-N 3.25Å; F131-S133 VanDerWaalsContact C-N 3.31Å; F131-S133 PolarHBondContact O-N 3.1Å; F131-E134 PolarHBondContact O-N 2.78Å; F131-I135 HydrophobicContact CE1-CD1 4.27Å; F131-I135 HydrophobicContact CZ-CD1 3.9Å; F131-I135 PolarHBondContact O-N 2.73Å
132G96.2Very high96.8Very high13 Ų1318.7 Ų18.713%0.13411%0.106CC..Hα-helixtrans-65.1-34-176.500000112.8A128 V129 I135 R172A128-G132 PolarHBondContact O-N 3.06Å; V129-G132 PolarHBondContact O-N 3.38Å; G132-I135 WeakPolarHBondContact O-CG2 3.43Å; G132-R172 WeakPolarHBondContact O-CG 3.12Å
133S94.3Very high96.7Very high10 Ų1020.4 Ų20.47%0.0711%0.112CC..Hα-helixtrans-70.8-51.9174.264.70000110.2V129 L130 F131 I135 T136 R172V129-S133 VanDerWaalsContact O-CB 3.31Å; V129-S133 WeakPolarHBondContact O-CB 3.16Å; V129-S133 PolarHBondContact O-N 2.9Å; V129-S133 PolarHBondContact O-OG 3.42Å; L130-S133 PolarHBondContact O-N 2.89Å; L130-S133 PolarHBondContact O-OG 3.19Å; L130-S133 VanDerWaalsContact O-OG 3.05Å; F131-S133 VanDerWaalsContact C-N 3.31Å; F131-S133 PolarHBondContact O-N 3.1Å; S133-I135 VanDerWaalsContact C-N 3.31Å; S133-I135 PolarHBondContact O-N 3.39Å; S133-T136 PolarHBondContact O-OG1 3.43Å; S133-R172 VanDerWaalsContact C-NH2 3.29Å; S133-R172 PolarHBondContact O-NE 2.89Å; S133-R172 PolarHBondContact O-NH2 3.37Å
134E96.8Very high96.7Very high5 Ų522.4 Ų22.42%0.02312%0.12CC..Hα-helixtrans-70.5-22.9-172.4-69.7-55.3129.300113.9I48 L130 F131 T136 N137 P138I48-E134 WeakPolarHBondContact CD1-O 3.44Å; I48-E134 HydrophobicContact CG1-CB 3.93Å; L130-E134 HydrophobicContact CD1-CG 3.76Å; L130-E134 WeakPolarHBondContact O-CB 3.39Å; L130-E134 WeakPolarHBondContact O-CG 3.35Å; L130-E134 PolarHBondContact O-N 3.43Å; F131-E134 PolarHBondContact O-N 2.78Å; E134-T136 PolarHBondContact O-N 3.48Å; E134-N137 VanDerWaalsContact O-CB 3.27Å; E134-N137 WeakPolarHBondContact O-CB 3.39Å; E134-N137 PolarHBondContact O-N 3.39Å; E134-N137 WeakPolarHBondContact OE2-CB 3.45Å; E134-N137 PolarHBondContact OE2-ND2 2.98Å; E134-P138 WeakPolarHBondContact O-CD 3.5Å
135I96.7Very high96.8Very high35 Ų3523.7 Ų23.718%0.17913%0.125CC..THydrogen-bonded Turntrans-54.4-28.2-177.2-154.8171.8000114.3F131 G132 S133 L167 V171F131-I135 HydrophobicContact CE1-CD1 4.27Å; F131-I135 HydrophobicContact CZ-CD1 3.9Å; F131-I135 PolarHBondContact O-N 2.73Å; G132-I135 WeakPolarHBondContact O-CG2 3.43Å; S133-I135 VanDerWaalsContact C-N 3.31Å; S133-I135 PolarHBondContact O-N 3.39Å; I135-L167 HydrophobicContact CD1-CD2 4.44Å; I135-V171 HydrophobicContact CG2-CB 4.26Å; I135-V171 HydrophobicContact CG2-CG1 4.12Å
136T96.2Very high96.8Very high3 Ų324.7 Ų24.72%0.01813%0.131CC..THydrogen-bonded Turntrans-88-16.8177.760.30000114.1S133 E134 L139 L140 L167 F168 R172S133-T136 PolarHBondContact O-OG1 3.43Å; E134-T136 PolarHBondContact O-N 3.48Å; T136-L139 PolarHBondContact O-N 2.86Å; T136-L140 PolarHBondContact O-N 3.18Å; T136-L167 HydrophobicContact CG2-CB 3.82Å; T136-F168 HydrophobicContact CG2-CB 4.14Å; T136-F168 HydrophobicContact CG2-CD2 4.25Å; T136-R172 HydrophobicContact CG2-CG 4.45Å; T136-R172 PolarHBondContact OG1-NE 2.82Å; T136-R172 VanDerWaalsContact OG1-NE 3.08Å
137N96.2Very high96.8Very high16 Ų1629.4 Ų29.49%0.08615%0.146CC..Hα-helixtrans-67.4-44.2-170.7-173.323.8000112.9T40 E134 L139 L140 Q141T40-N137 WeakPolarHBondContact CG2-ND2 3.45Å; E134-N137 VanDerWaalsContact O-CB 3.27Å; E134-N137 WeakPolarHBondContact O-CB 3.39Å; E134-N137 PolarHBondContact O-N 3.39Å; E134-N137 WeakPolarHBondContact OE2-CB 3.45Å; E134-N137 PolarHBondContact OE2-ND2 2.98Å; N137-L139 PolarHBondContact O-N 3.3Å; N137-L139 VanDerWaalsContact O-N 3.13Å; N137-L140 WeakPolarHBondContact O-CA 3.48Å; N137-L140 VanDerWaalsContact O-CB 3.3Å; N137-L140 WeakPolarHBondContact O-CB 3.35Å; N137-L140 PolarHBondContact O-N 3.31Å; N137-Q141 WeakPolarHBondContact O-CG 3.49Å; N137-Q141 PolarHBondContact O-N 3.29Å; N137-Q141 PolarHBondContact OD1-NE2 2.9Å
138P97.1Very high96.7Very high19 Ų1933.5 Ų33.512%0.12317%0.165CC..Hα-helixtrans-55.5-34.9175.2-28.436.3000113.7F41 V45 I48 E134 M142F41-P138 HydrophobicContact CD2-CB 4.06Å; F41-P138 HydrophobicContact CE2-CB 3.78Å; V45-P138 HydrophobicContact CG2-CG 4.31Å; I48-P138 HydrophobicContact CD1-CG 3.64Å; E134-P138 WeakPolarHBondContact O-CD 3.5Å; P138-M142 VanDerWaalsContact O-CB 3.3Å; P138-M142 WeakPolarHBondContact O-CB 3.4Å; P138-M142 PolarHBondContact O-N 3.07Å
139L97.3Very high96.6Very high19 Ų1935 Ų3510%0.09917%0.172CC..Hα-helixtrans-71.2-37.9175.5-62.7175.8000112T136 N137 M142 R143 V160 L163 F164 L167T136-L139 PolarHBondContact O-N 2.86Å; N137-L139 PolarHBondContact O-N 3.3Å; N137-L139 VanDerWaalsContact O-N 3.13Å; L139-M142 HydrophobicContact CD2-CE 3.61Å; L139-M142 PolarHBondContact O-N 2.81Å; L139-R143 VanDerWaalsContact O-CB 3.3Å; L139-R143 WeakPolarHBondContact O-CB 3.49Å; L139-R143 PolarHBondContact O-N 2.65Å; L139-V160 HydrophobicContact CB-CG1 4.3Å; L139-V160 HydrophobicContact CD2-CG1 4.47Å; L139-V160 VanDerWaalsContact O-CG1 3.28Å; L139-V160 WeakPolarHBondContact O-CG1 3.46Å; L139-L163 HydrophobicContact CD1-CB 3.6Å; L139-L163 HydrophobicContact CD2-CB 4.34Å; L139-L163 HydrophobicContact CD2-CD1 4.43Å; L139-F164 HydrophobicContact CB-CB 4.17Å; L139-F164 HydrophobicContact CB-CD2 4.31Å; L139-F164 HydrophobicContact CD1-CB 4.28Å; L139-L167 HydrophobicContact CD1-CD1 3.71Å
140L95Very high96.5Very high49 Ų4935.6 Ų35.626%0.25719%0.189SC..Hα-helixtrans-60.5-45.8173.3-168.981.8000110.9T136 N137 R143 W144 F164T136-L140 PolarHBondContact O-N 3.18Å; N137-L140 WeakPolarHBondContact O-CA 3.48Å; N137-L140 VanDerWaalsContact O-CB 3.3Å; N137-L140 WeakPolarHBondContact O-CB 3.35Å; N137-L140 PolarHBondContact O-N 3.31Å; L140-R143 WeakPolarHBondContact O-CB 3.43Å; L140-R143 PolarHBondContact O-N 2.84Å; L140-W144 PolarHBondContact O-N 3.17Å; L140-W144 VanDerWaalsContact O-N 3.1Å; L140-F164 HydrophobicContact CB-CE2 4.21Å; L140-F164 HydrophobicContact CD1-CE2 3.89Å; L140-F164 HydrophobicContact CD1-CZ 4.01Å
141Q97.7Very high96.3Very high3 Ų340.6 Ų40.61%0.01421%0.212CC..Hα-helixtrans-65.8-45.6177.3-57-45.2-4700111.4T40 F41 N137 R143 W144 F145T40-Q141 VanDerWaalsContact CG2-CD 3.45Å; T40-Q141 HydrophobicContact CG2-CG 3.89Å; F41-Q141 HydrophobicContact CB-CB 4.13Å; F41-Q141 HydrophobicContact CB-CG 4.14Å; F41-Q141 HydrophobicContact CD2-CB 4.03Å; N137-Q141 WeakPolarHBondContact O-CG 3.49Å; N137-Q141 PolarHBondContact O-N 3.29Å; N137-Q141 PolarHBondContact OD1-NE2 2.9Å; Q141-R143 VanDerWaalsContact C-N 3.28Å; Q141-R143 PolarHBondContact O-N 3.28Å; Q141-W144 WeakPolarHBondContact O-CA 3.31Å; Q141-W144 WeakPolarHBondContact O-CB 3.35Å; Q141-W144 PolarHBondContact O-N 3.2Å; Q141-F145 HydrophobicContact CB-CD2 4.47Å; Q141-F145 HydrophobicContact CB-CE2 4.13Å; Q141-F145 WeakPolarHBondContact O-CD2 3.33Å; Q141-F145 PolarHBondContact O-N 2.89Å
142M97Very high96.1Very high69 Ų6939.9 Ų39.934%0.3421%0.208SC..Hα-helixtrans-59.9-39.6176.8-178162.743.300111.9P138 L139 W144 F145 L146 V160P138-M142 VanDerWaalsContact O-CB 3.3Å; P138-M142 WeakPolarHBondContact O-CB 3.4Å; P138-M142 PolarHBondContact O-N 3.07Å; L139-M142 HydrophobicContact CD2-CE 3.61Å; L139-M142 PolarHBondContact O-N 2.81Å; M142-W144 VanDerWaalsContact C-N 3.33Å; M142-W144 PolarHBondContact O-N 3.37Å; M142-F145 PolarHBondContact O-N 3.39Å; M142-L146 HydrophobicContact CG-CD1 4.21Å; M142-L146 HydrophobicContact CG-CG 4.44Å; M142-L146 WeakPolarHBondContact O-CB 3.33Å; M142-L146 VanDerWaalsContact O-CG 3.28Å; M142-L146 WeakPolarHBondContact O-CG 3.4Å; M142-L146 PolarHBondContact O-N 2.86Å; M142-V160 HydrophobicContact CE-CG1 4.49Å; M142-V160 HydrophobicContact CE-CG2 3.47Å; M142-V160 VanDerWaalsContact CE-CG2 3.47Å; M142-V160 HydrophobicContact CG-CG2 4.01Å; M142-V160 HydrophobicContact SD-CG2 3.94Å
143R96.3Very high95.9Very high37 Ų3747.3 Ų47.314%0.1424%0.239CC..Hα-helixtrans-60-42.5173.4-174.1-170.1-173.4-147.93.4112L139 L140 Q141 R147 Y152 V160 D161L139-R143 VanDerWaalsContact O-CB 3.3Å; L139-R143 WeakPolarHBondContact O-CB 3.49Å; L139-R143 PolarHBondContact O-N 2.65Å; L140-R143 WeakPolarHBondContact O-CB 3.43Å; L140-R143 PolarHBondContact O-N 2.84Å; Q141-R143 VanDerWaalsContact C-N 3.28Å; Q141-R143 PolarHBondContact O-N 3.28Å; R143-R147 WeakPolarHBondContact O-CG 3.5Å; R143-R147 PolarHBondContact O-N 3.31Å; R143-R147 VanDerWaalsContact O-N 3.16Å; R143-Y152 HydrophobicContact CG-CD2 4.22Å; R143-Y152 HydrophobicContact CG-CE2 3.81Å; R143-V160 HydrophobicContact CB-CG1 3.9Å; R143-D161 VanDerWaalsContact CD-OD1 3.31Å; R143-D161 WeakPolarHBondContact CD-OD1 3.06Å; R143-D161 IonicContact CZ-OD1 3.89Å; R143-D161 IonicContact NE-OD1 3.47Å; R143-D161 PolarHBondContact NE-OD1 2.83Å; R143-D161 IonicContact NH2-OD1 2.94Å
144W97.2Very high95.8Very high43 Ų4348.8 Ų48.816%0.16325%0.249CC..Hα-helixtrans-62.5-48.6175.4-174.8101.3000111E33 W34 R37 L140 Q141 M142 L146 R147 E148E33-W144 HydrophobicContact CB-CH2 4.48Å; E33-W144 HydrophobicContact CB-CZ2 4.08Å; E33-W144 HydrophobicContact CG-CH2 4.23Å; E33-W144 HydrophobicContact CG-CZ2 3.55Å; E33-W144 PolarHBondContact OE1-NE1 3.46Å; W34-W144 HydrophobicContact CB-CH2 4.11Å; W34-W144 HydrophobicContact CB-CZ3 4.33Å; W34-W144 HydrophobicContact CD2-CZ3 4.29Å; W34-W144 HydrophobicContact CE3-CH2 4.13Å; W34-W144 AromaticContact CE3-CZ3 3.69Å; W34-W144 HydrophobicContact CE3-CZ3 3.69Å; W34-W144 HydrophobicContact CZ3-CZ3 4.34Å; R37-W144 HydrophobicContact CB-CE3 4.13Å; R37-W144 HydrophobicContact CB-CZ3 4.29Å; R37-W144 HydrophobicContact CG-CD2 3.86Å; R37-W144 HydrophobicContact CG-CE3 3.84Å; R37-W144 HydrophobicContact CG-CG 4.43Å; R37-W144 HydrophobicContact CG-CH2 4.3Å; R37-W144 HydrophobicContact CG-CZ2 4.28Å; R37-W144 HydrophobicContact CG-CZ3 4.07Å; L140-W144 PolarHBondContact O-N 3.17Å; L140-W144 VanDerWaalsContact O-N 3.1Å; Q141-W144 WeakPolarHBondContact O-CA 3.31Å; Q141-W144 WeakPolarHBondContact O-CB 3.35Å; Q141-W144 PolarHBondContact O-N 3.2Å; M142-W144 VanDerWaalsContact C-N 3.33Å; M142-W144 PolarHBondContact O-N 3.37Å; W144-L146 VanDerWaalsContact C-N 3.32Å; W144-L146 PolarHBondContact O-N 3.39Å; W144-R147 WeakPolarHBondContact O-CB 3.41Å; W144-R147 PolarHBondContact O-N 3.19Å; W144-E148 HydrophobicContact CE3-CB 4.3Å; W144-E148 HydrophobicContact CH2-CB 4.2Å; W144-E148 HydrophobicContact CH2-CG 3.88Å; W144-E148 HydrophobicContact CZ3-CB 4.03Å; W144-E148 HydrophobicContact CZ3-CG 4.05Å; W144-E148 PolarHBondContact O-N 2.91Å
145F97.4Very high95.7Very high30 Ų3056.5 Ų56.513%0.13228%0.283CS..Hα-helixtrans-61-38.3177.7-69.4-59.6000113.1W34 R37 L38 Q141 M142 R147 E148 T149W34-F145 HydrophobicContact CD2-CD1 4.07Å; W34-F145 AromaticContact CD2-CE1 3.81Å; W34-F145 HydrophobicContact CD2-CE1 3.81Å; W34-F145 AromaticContact CE2-CE1 3.86Å; W34-F145 AromaticContact CE3-CD1 3.84Å; W34-F145 HydrophobicContact CE3-CD1 3.84Å; W34-F145 HydrophobicContact CE3-CE1 4.03Å; W34-F145 HydrophobicContact CG-CE1 4.28Å; W34-F145 AromaticContact CH2-CD1 3.72Å; W34-F145 HydrophobicContact CH2-CD1 3.72Å; W34-F145 HydrophobicContact CH2-CE1 4.3Å; W34-F145 AromaticContact CZ2-CD1 3.96Å; W34-F145 HydrophobicContact CZ2-CD1 3.96Å; W34-F145 HydrophobicContact CZ2-CE1 4.11Å; W34-F145 AromaticContact CZ3-CD1 3.66Å; W34-F145 HydrophobicContact CZ3-CD1 3.66Å; W34-F145 HydrophobicContact CZ3-CE1 4.27Å; R37-F145 HydrophobicContact CB-CE1 4.06Å; R37-F145 HydrophobicContact CB-CE2 4.33Å; R37-F145 HydrophobicContact CB-CZ 3.64Å; L38-F145 HydrophobicContact CD2-CE1 4.29Å; L38-F145 HydrophobicContact CD2-CE2 4.34Å; L38-F145 HydrophobicContact CD2-CZ 3.71Å; L38-F145 HydrophobicContact CG-CE1 4.29Å; L38-F145 HydrophobicContact CG-CZ 3.87Å; Q141-F145 HydrophobicContact CB-CD2 4.47Å; Q141-F145 HydrophobicContact CB-CE2 4.13Å; Q141-F145 WeakPolarHBondContact O-CD2 3.33Å; Q141-F145 PolarHBondContact O-N 2.89Å; M142-F145 PolarHBondContact O-N 3.39Å; F145-R147 VanDerWaalsContact C-N 3.29Å; F145-R147 PolarHBondContact O-N 3.35Å; F145-E148 PolarHBondContact O-N 3.13Å; F145-T149 WeakPolarHBondContact O-CB 3.37Å; F145-T149 WeakPolarHBondContact O-CG2 3.47Å; F145-T149 PolarHBondContact O-N 3.29Å; F145-T149 PolarHBondContact O-OG1 3.25Å
146L97.1Very high95.5Very high23 Ų2358.2 Ų58.212%0.1230%0.295CS..Hα-helixtrans-64.6-34.2175.1-73.1171.3000112M142 W144 T149 G150 H151 Y152 T156 V160M142-L146 HydrophobicContact CG-CD1 4.21Å; M142-L146 HydrophobicContact CG-CG 4.44Å; M142-L146 WeakPolarHBondContact O-CB 3.33Å; M142-L146 VanDerWaalsContact O-CG 3.28Å; M142-L146 WeakPolarHBondContact O-CG 3.4Å; M142-L146 PolarHBondContact O-N 2.86Å; W144-L146 VanDerWaalsContact C-N 3.32Å; W144-L146 PolarHBondContact O-N 3.39Å; L146-T149 PolarHBondContact O-OG1 3.41Å; L146-G150 CarbonylContact O-C 3.47Å; L146-G150 PolarHBondContact O-N 3.07Å; L146-H151 HydrophobicContact CD2-CB 3.84Å; L146-H151 CarbonylContact O-C 3.59Å; L146-H151 PolarHBondContact O-N 2.88Å; L146-Y152 PolarHBondContact O-N 2.9Å; L146-T156 HydrophobicContact CD1-CG2 4.13Å; L146-T156 HydrophobicContact CD2-CG2 4.39Å; L146-V160 HydrophobicContact CD1-CB 4.46Å; L146-V160 HydrophobicContact CD1-CG2 4.01Å
147R96.1Very high95.4Very high122 Ų12258 Ų5846%0.4629%0.294SS..Hα-helixtrans-69.5-47.8174.1-72.3174.6175.2-170.1-3.2111.2R143 W144 F145 T149 G150 Y152R143-R147 WeakPolarHBondContact O-CG 3.5Å; R143-R147 PolarHBondContact O-N 3.31Å; R143-R147 VanDerWaalsContact O-N 3.16Å; W144-R147 WeakPolarHBondContact O-CB 3.41Å; W144-R147 PolarHBondContact O-N 3.19Å; F145-R147 VanDerWaalsContact C-N 3.29Å; F145-R147 PolarHBondContact O-N 3.35Å; R147-T149 PolarHBondContact O-N 2.91Å; R147-G150 PolarHBondContact O-N 3.4Å; R147-Y152 HydrophobicContact CG-CD1 4.22Å; R147-Y152 HydrophobicContact CG-CD2 3.65Å; R147-Y152 HydrophobicContact CG-CE2 4.34Å; R147-Y152 HydrophobicContact CG-CG 3.56Å; R147-Y152 PolarHBondContact NH2-OH 2.99Å; R147-Y152 VanDerWaalsContact NH2-OH 3.11Å
148E96Very high95.3Very high89 Ų8959.7 Ų59.742%0.41630%0.303SS..Hα-helixtrans-63.8-29.5-178.2-171.660-16500112.8W34 W144 F145W34-E148 HydrophobicContact CE3-CB 4.44Å; W34-E148 HydrophobicContact CE3-CG 3.74Å; W34-E148 HydrophobicContact CZ3-CB 4.13Å; W34-E148 HydrophobicContact CZ3-CG 3.75Å; W144-E148 HydrophobicContact CE3-CB 4.3Å; W144-E148 HydrophobicContact CH2-CB 4.2Å; W144-E148 HydrophobicContact CH2-CG 3.88Å; W144-E148 HydrophobicContact CZ3-CB 4.03Å; W144-E148 HydrophobicContact CZ3-CG 4.05Å; W144-E148 PolarHBondContact O-N 2.91Å; F145-E148 PolarHBondContact O-N 3.13Å
149T95.6Very high95.3Very high51 Ų5161.3 Ų61.331%0.31331%0.312SS..THydrogen-bonded Turntrans-93.10.3176.359.30000114W34 F145 L146 R147 H151W34-T149 HydrophobicContact CH2-CG2 3.87Å; W34-T149 HydrophobicContact CZ3-CG2 4.01Å; F145-T149 WeakPolarHBondContact O-CB 3.37Å; F145-T149 WeakPolarHBondContact O-CG2 3.47Å; F145-T149 PolarHBondContact O-N 3.29Å; F145-T149 PolarHBondContact O-OG1 3.25Å; L146-T149 PolarHBondContact O-OG1 3.41Å; R147-T149 PolarHBondContact O-N 2.91Å; T149-H151 VanDerWaalsContact C-N 3.32Å; T149-H151 WeakPolarHBondContact CB-ND1 3.48Å; T149-H151 PolarHBondContact O-CE1 3.35Å; T149-H151 PolarHBondContact O-N 2.84Å; T149-H151 PolarHBondContact O-ND1 3.16Å; T149-H151 PolarHBondContact OG1-ND1 3.11Å; T149-H151 VanDerWaalsContact OG1-ND1 3.13Å
150G94.9Very high95.3Very high64 Ų6460.5 Ų60.566%0.6631%0.308SS*.THydrogen-bonded Turntrans794.9-179.900000115.7L146 R147L146-G150 CarbonylContact O-C 3.47Å; L146-G150 PolarHBondContact O-N 3.07Å; R147-G150 PolarHBondContact O-N 3.4Å
151H94.1Very high95.3Very high112 Ų11258.6 Ų58.652%0.51930%0.298SS..  trans-94.77.3-177-60.594.5000114.4L146 T149 H153 S154L146-H151 HydrophobicContact CD2-CB 3.84Å; L146-H151 CarbonylContact O-C 3.59Å; L146-H151 PolarHBondContact O-N 2.88Å; T149-H151 VanDerWaalsContact C-N 3.32Å; T149-H151 WeakPolarHBondContact CB-ND1 3.48Å; T149-H151 PolarHBondContact O-CE1 3.35Å; T149-H151 PolarHBondContact O-N 2.84Å; T149-H151 PolarHBondContact O-ND1 3.16Å; T149-H151 PolarHBondContact OG1-ND1 3.11Å; T149-H151 VanDerWaalsContact OG1-ND1 3.13Å; H151-H153 VanDerWaalsContact C-N 3.3Å; H151-H153 PolarHBondContact O-N 3.33Å; H151-S154 WeakPolarHBondContact O-CB 3.25Å; H151-S154 PolarHBondContact O-N 3.04Å; H151-S154 VanDerWaalsContact O-N 3.14Å; H151-S154 PolarHBondContact O-OG 3.46Å
152Y93.3Very high95.2Very high26 Ų2665.3 Ų65.310%0.10233%0.327CS..THydrogen-bonded Turntrans-62.5-30.8-176175.7-107.4000114.6R143 L146 R147 S154 D161 F214R143-Y152 HydrophobicContact CG-CD2 4.22Å; R143-Y152 HydrophobicContact CG-CE2 3.81Å; L146-Y152 PolarHBondContact O-N 2.9Å; R147-Y152 HydrophobicContact CG-CD1 4.22Å; R147-Y152 HydrophobicContact CG-CD2 3.65Å; R147-Y152 HydrophobicContact CG-CE2 4.34Å; R147-Y152 HydrophobicContact CG-CG 3.56Å; R147-Y152 PolarHBondContact NH2-OH 2.99Å; R147-Y152 VanDerWaalsContact NH2-OH 3.11Å; Y152-S154 PolarHBondContact O-N 3.44Å; Y152-D161 PolarHBondContact OH-OD2 3.4Å; Y152-D161 VanDerWaalsContact OH-OD2 3.11Å; Y152-F214 WeakPolarHBondContact OH-CZ 3.44Å
153H91.4Very high95.2Very high169 Ų16965.5 Ų65.578%0.78233%0.329SS*.THydrogen-bonded Turntrans-84.110.6178.7-66.2-53.4000113.9H151H151-H153 VanDerWaalsContact C-N 3.3Å; H151-H153 PolarHBondContact O-N 3.33Å
154S93.4Very high95.2Very high40 Ų4064.6 Ų64.628%0.2833%0.327SS..SBendtrans-81.1169.2174.968.80000112.7H151 Y152 T156 G157 D158H151-S154 WeakPolarHBondContact O-CB 3.25Å; H151-S154 PolarHBondContact O-N 3.04Å; H151-S154 VanDerWaalsContact O-N 3.14Å; H151-S154 PolarHBondContact O-OG 3.46Å; Y152-S154 PolarHBondContact O-N 3.44Å; S154-T156 PolarHBondContact O-N 3.07Å; S154-T156 PolarHBondContact OG-N 2.96Å; S154-G157 PolarHBondContact O-N 3.14Å; S154-G157 VanDerWaalsContact O-N 3.1Å; S154-G157 PolarHBondContact OG-N 2.91Å; S154-D158 PolarHBondContact O-N 3.39Å
155F92.8Very high95.2Very high167 Ų16764.3 Ų64.373%0.73233%0.33SS*.Hα-helixtrans-53.9-40.2169.7178.5-106.9000112G157 D158 V159F155-G157 VanDerWaalsContact C-N 3.34Å; F155-G157 PolarHBondContact O-N 3.4Å; F155-D158 WeakPolarHBondContact O-CB 3.47Å; F155-D158 PolarHBondContact O-N 2.91Å; F155-D158 VanDerWaalsContact O-N 3.12Å; F155-V159 HydrophobicContact CD1-CG2 4.11Å; F155-V159 HydrophobicContact CE1-CG2 3.67Å; F155-V159 HydrophobicContact CE2-CG2 4.16Å; F155-V159 HydrophobicContact CZ-CG2 3.7Å; F155-V159 WeakPolarHBondContact O-CG2 3.49Å; F155-V159 PolarHBondContact O-N 3.4Å
156T94.1Very high95.2Very high71 Ų7165 Ų6544%0.43634%0.341SS..Hα-helixtrans-58.6-45.2176-50.60000111.5L146 S154 D158 V159 V160L146-T156 HydrophobicContact CD1-CG2 4.13Å; L146-T156 HydrophobicContact CD2-CG2 4.39Å; S154-T156 PolarHBondContact O-N 3.07Å; S154-T156 PolarHBondContact OG-N 2.96Å; T156-D158 VanDerWaalsContact C-N 3.26Å; T156-D158 PolarHBondContact O-N 3.32Å; T156-V159 PolarHBondContact O-N 3.08Å; T156-V160 HydrophobicContact CG2-CG2 4.48Å; T156-V160 VanDerWaalsContact O-CG2 3.29Å; T156-V160 WeakPolarHBondContact O-CG2 3.33Å; T156-V160 PolarHBondContact O-N 3.39Å
157G94.5Very high95.2Very high0 Ų066.5 Ų66.50%035%0.349CS..Hα-helixtrans-61.9-33.317700000113.4S154 F155 D161S154-G157 PolarHBondContact O-N 3.14Å; S154-G157 VanDerWaalsContact O-N 3.1Å; S154-G157 PolarHBondContact OG-N 2.91Å; F155-G157 VanDerWaalsContact C-N 3.34Å; F155-G157 PolarHBondContact O-N 3.4Å; G157-D161 PolarHBondContact O-N 3.34Å; G157-D161 VanDerWaalsContact O-N 3.1Å
158D93.9Very high95.3Very high50 Ų5060.8 Ų60.827%0.26733%0.327SS..Hα-helixtrans-71-41.7174.1-77-30.2000113.3S154 F155 T156 V160 D161 F162 K218 K222S154-D158 PolarHBondContact O-N 3.39Å; F155-D158 WeakPolarHBondContact O-CB 3.47Å; F155-D158 PolarHBondContact O-N 2.91Å; F155-D158 VanDerWaalsContact O-N 3.12Å; T156-D158 VanDerWaalsContact C-N 3.26Å; T156-D158 PolarHBondContact O-N 3.32Å; D158-V160 VanDerWaalsContact C-N 3.34Å; D158-D161 PolarHBondContact O-N 3.16Å; D158-F162 WeakPolarHBondContact O-CB 2.99Å; D158-F162 PolarHBondContact O-N 3.18Å; D158-K218 WeakPolarHBondContact OD1-CE 3.19Å; D158-K218 IonicContact OD1-NZ 3.05Å; D158-K218 PolarHBondContact OD1-NZ 2.96Å; D158-K222 IonicContact OD1-NZ 2.76Å; D158-K222 PolarHBondContact OD1-NZ 2.78Å; D158-K222 IonicContact OD2-NZ 2.66Å; D158-K222 PolarHBondContact OD2-NZ 3.43Å
159V95.9Very high95.4Very high53 Ų5359.1 Ų59.132%0.32132%0.323SS..Hα-helixtrans-61.1-44.5174.2171.80000110.5F155 T156 F162 L163F155-V159 HydrophobicContact CD1-CG2 4.11Å; F155-V159 HydrophobicContact CE1-CG2 3.67Å; F155-V159 HydrophobicContact CE2-CG2 4.16Å; F155-V159 HydrophobicContact CZ-CG2 3.7Å; F155-V159 WeakPolarHBondContact O-CG2 3.49Å; F155-V159 PolarHBondContact O-N 3.4Å; T156-V159 PolarHBondContact O-N 3.08Å; V159-F162 PolarHBondContact O-N 3.02Å; V159-L163 HydrophobicContact CG1-CD1 3.76Å; V159-L163 HydrophobicContact CG1-CG 4.18Å; V159-L163 WeakPolarHBondContact O-CB 3.3Å; V159-L163 VanDerWaalsContact O-CG 3.32Å; V159-L163 WeakPolarHBondContact O-CG 3.33Å; V159-L163 PolarHBondContact O-N 3.25Å
160V96.9Very high95.5Very high3 Ų358.5 Ų58.52%0.01833%0.327CS..Hα-helixtrans-61.8-47.8178.7172.60000111.7L139 M142 R143 L146 T156 D158 F162 L163 F164L139-V160 HydrophobicContact CB-CG1 4.3Å; L139-V160 HydrophobicContact CD2-CG1 4.47Å; L139-V160 VanDerWaalsContact O-CG1 3.28Å; L139-V160 WeakPolarHBondContact O-CG1 3.46Å; M142-V160 HydrophobicContact CE-CG1 4.49Å; M142-V160 HydrophobicContact CE-CG2 3.47Å; M142-V160 VanDerWaalsContact CE-CG2 3.47Å; M142-V160 HydrophobicContact CG-CG2 4.01Å; M142-V160 HydrophobicContact SD-CG2 3.94Å; R143-V160 HydrophobicContact CB-CG1 3.9Å; L146-V160 HydrophobicContact CD1-CB 4.46Å; L146-V160 HydrophobicContact CD1-CG2 4.01Å; T156-V160 HydrophobicContact CG2-CG2 4.48Å; T156-V160 VanDerWaalsContact O-CG2 3.29Å; T156-V160 WeakPolarHBondContact O-CG2 3.33Å; T156-V160 PolarHBondContact O-N 3.39Å; D158-V160 VanDerWaalsContact C-N 3.34Å; V160-F162 VanDerWaalsContact C-N 3.32Å; V160-F162 PolarHBondContact O-N 3.03Å; V160-L163 PolarHBondContact O-N 2.92Å; V160-F164 VanDerWaalsContact O-CB 3.24Å; V160-F164 WeakPolarHBondContact O-CB 3.37Å; V160-F164 PolarHBondContact O-N 3.06Å
161D95.6Very high95.6Very high8 Ų856.8 Ų56.84%0.04330%0.304CS..Hα-helixtrans-61.7-40.7176.9-84.5-13.5000111.5R143 Y152 G157 D158 V165 F214 K218R143-D161 VanDerWaalsContact CD-OD1 3.31Å; R143-D161 WeakPolarHBondContact CD-OD1 3.06Å; R143-D161 IonicContact CZ-OD1 3.89Å; R143-D161 IonicContact NE-OD1 3.47Å; R143-D161 PolarHBondContact NE-OD1 2.83Å; R143-D161 IonicContact NH2-OD1 2.94Å; Y152-D161 PolarHBondContact OH-OD2 3.4Å; Y152-D161 VanDerWaalsContact OH-OD2 3.11Å; G157-D161 PolarHBondContact O-N 3.34Å; G157-D161 VanDerWaalsContact O-N 3.1Å; D158-D161 PolarHBondContact O-N 3.16Å; D161-V165 VanDerWaalsContact O-CG2 3.29Å; D161-V165 WeakPolarHBondContact O-CG2 3.3Å; D161-V165 PolarHBondContact O-N 3.44Å; D161-V165 VanDerWaalsContact O-N 3.08Å; D161-F214 WeakPolarHBondContact OD2-CZ 3.39Å; D161-K218 IonicContact OD2-NZ 2.77Å; D161-K218 PolarHBondContact OD2-NZ 2.71Å
162F95.8Very high95.7Very high144 Ų14452.6 Ų52.663%0.63228%0.283SS*.Hα-helixtrans-64.2-51.7177.8173-98.7000111.9D158 V159 V160 F164 V165 A166D158-F162 WeakPolarHBondContact O-CB 2.99Å; D158-F162 PolarHBondContact O-N 3.18Å; V159-F162 PolarHBondContact O-N 3.02Å; V160-F162 VanDerWaalsContact C-N 3.32Å; V160-F162 PolarHBondContact O-N 3.03Å; F162-F164 VanDerWaalsContact C-N 3.26Å; F162-F164 PolarHBondContact O-N 2.86Å; F162-V165 PolarHBondContact O-N 3.12Å; F162-A166 WeakPolarHBondContact O-CB 3.46Å; F162-A166 PolarHBondContact O-N 3.06Å
163L97.3Very high95.9Very high73 Ų7352 Ų5238%0.38228%0.282SS..Hα-helixtrans-60.3-39.2178.8-71176.3000111.3L139 V159 V160 A166 L167L139-L163 HydrophobicContact CD1-CB 3.6Å; L139-L163 HydrophobicContact CD2-CB 4.34Å; L139-L163 HydrophobicContact CD2-CD1 4.43Å; V159-L163 HydrophobicContact CG1-CD1 3.76Å; V159-L163 HydrophobicContact CG1-CG 4.18Å; V159-L163 WeakPolarHBondContact O-CB 3.3Å; V159-L163 VanDerWaalsContact O-CG 3.32Å; V159-L163 WeakPolarHBondContact O-CG 3.33Å; V159-L163 PolarHBondContact O-N 3.25Å; V160-L163 PolarHBondContact O-N 2.92Å; L163-A166 PolarHBondContact O-N 3.3Å; L163-L167 WeakPolarHBondContact O-CB 3.47Å; L163-L167 WeakPolarHBondContact O-CG 3.17Å; L163-L167 PolarHBondContact O-N 3Å
164F96.9Very high96.2Very high18 Ų1845.9 Ų45.98%0.07926%0.264CS..Hα-helixtrans-60.9-50.5176.9175.4-96.9000110.8L139 L140 V160 F162 A166 F168 I211L139-F164 HydrophobicContact CB-CB 4.17Å; L139-F164 HydrophobicContact CB-CD2 4.31Å; L139-F164 HydrophobicContact CD1-CB 4.28Å; L140-F164 HydrophobicContact CB-CE2 4.21Å; L140-F164 HydrophobicContact CD1-CE2 3.89Å; L140-F164 HydrophobicContact CD1-CZ 4.01Å; V160-F164 VanDerWaalsContact O-CB 3.24Å; V160-F164 WeakPolarHBondContact O-CB 3.37Å; V160-F164 PolarHBondContact O-N 3.06Å; F162-F164 VanDerWaalsContact C-N 3.26Å; F162-F164 PolarHBondContact O-N 2.86Å; F164-A166 PolarHBondContact O-N 3.5Å; F164-F168 HydrophobicContact CE1-CD2 4.48Å; F164-F168 HydrophobicContact CE2-CD2 4.38Å; F164-F168 AromaticContact CZ-CD2 3.98Å; F164-F168 HydrophobicContact CZ-CD2 3.98Å; F164-F168 WeakPolarHBondContact O-CB 3.26Å; F164-F168 PolarHBondContact O-N 3.41Å; F164-I211 HydrophobicContact CE1-CD1 3.59Å; F164-I211 HydrophobicContact CE1-CG1 3.9Å; F164-I211 HydrophobicContact CE1-CG2 4.29Å; F164-I211 HydrophobicContact CZ-CD1 3.84Å; F164-I211 HydrophobicContact CZ-CG1 4.47Å
165V97.1Very high96.4Very high38 Ų3847.2 Ų47.223%0.2327%0.271CS..Hα-helixtrans-62.8-42.3178.2174.60000111.4D161 F162 F168 T169 I211D161-V165 VanDerWaalsContact O-CG2 3.29Å; D161-V165 WeakPolarHBondContact O-CG2 3.3Å; D161-V165 PolarHBondContact O-N 3.44Å; D161-V165 VanDerWaalsContact O-N 3.08Å; F162-V165 PolarHBondContact O-N 3.12Å; V165-F168 PolarHBondContact O-N 2.91Å; V165-T169 WeakPolarHBondContact O-CB 3.49Å; V165-T169 PolarHBondContact O-N 3.11Å; V165-T169 PolarHBondContact O-OG1 2.94Å; V165-I211 HydrophobicContact CG2-CG2 3.77Å
166A97Very high96.6Very high44 Ų4440.1 Ų40.136%0.36424%0.244SC..Hα-helixtrans-63.8-49.6-179.400000111.8F162 L163 F164 T169 G170F162-A166 WeakPolarHBondContact O-CB 3.46Å; F162-A166 PolarHBondContact O-N 3.06Å; L163-A166 PolarHBondContact O-N 3.3Å; F164-A166 PolarHBondContact O-N 3.5Å; A166-T169 PolarHBondContact O-N 2.94Å; A166-G170 PolarHBondContact O-N 3.47Å
167L97.3Very high96.8Very high54 Ų5438.6 Ų38.628%0.28324%0.239SC..Hα-helixtrans-67.1-39177.7-72.2176.8000112I135 T136 L139 L163 T169 V171 R172I135-L167 HydrophobicContact CD1-CD2 4.44Å; T136-L167 HydrophobicContact CG2-CB 3.82Å; L139-L167 HydrophobicContact CD1-CD1 3.71Å; L163-L167 WeakPolarHBondContact O-CB 3.47Å; L163-L167 WeakPolarHBondContact O-CG 3.17Å; L163-L167 PolarHBondContact O-N 3Å; L167-T169 VanDerWaalsContact C-N 3.34Å; L167-T169 PolarHBondContact O-N 3.35Å; L167-V171 HydrophobicContact CD2-CG2 4.09Å; L167-V171 WeakPolarHBondContact O-CA 3.38Å; L167-V171 VanDerWaalsContact O-CB 3.28Å; L167-V171 WeakPolarHBondContact O-CB 3.47Å; L167-V171 PolarHBondContact O-N 2.93Å; L167-R172 PolarHBondContact O-N 3.15Å
168F97.7Very high97Very high3 Ų343.5 Ų43.51%0.01326%0.261CS..Iπ-helixtrans-61.9-45.5176.5-158.8-72.1000110.9T136 F164 V165 R172 I173 S204 F207 M208 I211T136-F168 HydrophobicContact CG2-CB 4.14Å; T136-F168 HydrophobicContact CG2-CD2 4.25Å; F164-F168 HydrophobicContact CE1-CD2 4.48Å; F164-F168 HydrophobicContact CE2-CD2 4.38Å; F164-F168 AromaticContact CZ-CD2 3.98Å; F164-F168 HydrophobicContact CZ-CD2 3.98Å; F164-F168 WeakPolarHBondContact O-CB 3.26Å; F164-F168 PolarHBondContact O-N 3.41Å; V165-F168 PolarHBondContact O-N 2.91Å; F168-R172 HydrophobicContact CD1-CB 4.34Å; F168-R172 HydrophobicContact CE1-CB 4.38Å; F168-R172 VanDerWaalsContact CE2-CD 3.44Å; F168-R172 WeakPolarHBondContact O-CA 3.5Å; F168-R172 VanDerWaalsContact O-CB 3.28Å; F168-R172 WeakPolarHBondContact O-CB 3.23Å; F168-R172 PolarHBondContact O-N 3.37Å; F168-I173 HydrophobicContact CD1-CG1 4.29Å; F168-I173 HydrophobicContact CE1-CD1 4.22Å; F168-I173 HydrophobicContact CE1-CG1 4.33Å; F168-I173 PolarHBondContact O-N 3.3Å; F168-I173 VanDerWaalsContact O-N 3.09Å; F168-S204 WeakPolarHBondContact CE1-O 3.33Å; F168-F207 HydrophobicContact CE1-CB 4.1Å; F168-F207 HydrophobicContact CE2-CB 4.06Å; F168-F207 HydrophobicContact CZ-CB 3.36Å; F168-F207 HydrophobicContact CZ-CD2 4.49Å; F168-F207 HydrophobicContact CZ-CG 4.22Å; F168-M208 HydrophobicContact CD1-CB 4.49Å; F168-M208 HydrophobicContact CD1-SD 4.15Å; F168-M208 HydrophobicContact CE1-CB 4.07Å; F168-I211 HydrophobicContact CB-CD1 4.37Å; F168-I211 HydrophobicContact CD1-CD1 3.77Å; F168-I211 HydrophobicContact CD2-CD1 3.39Å; F168-I211 HydrophobicContact CE1-CD1 3.89Å; F168-I211 HydrophobicContact CE2-CD1 3.49Å; F168-I211 VanDerWaalsContact CE2-CD1 3.49Å; F168-I211 HydrophobicContact CG-CD1 3.55Å; F168-I211 HydrophobicContact CZ-CD1 3.79Å
169T97.6Very high97.1Very high53 Ų5341.7 Ų41.733%0.32525%0.252SS..Iπ-helixtrans-71.3-50.2-179.6-51.10000111.5V165 A166 L167 I173 G174 M208V165-T169 WeakPolarHBondContact O-CB 3.49Å; V165-T169 PolarHBondContact O-N 3.11Å; V165-T169 PolarHBondContact O-OG1 2.94Å; A166-T169 PolarHBondContact O-N 2.94Å; L167-T169 VanDerWaalsContact C-N 3.34Å; L167-T169 PolarHBondContact O-N 3.35Å; T169-I173 WeakPolarHBondContact O-CB 3.23Å; T169-G174 PolarHBondContact O-N 3.02Å; T169-M208 HydrophobicContact CG2-CE 3.83Å; T169-M208 WeakPolarHBondContact OG1-CE 3.27Å
170G97.8Very high97.2Very high39 Ų3940.5 Ų40.540%0.40224%0.243SC..Iπ-helixtrans-69.7-49.9-175.600000112.8A166 G174 V175A166-G170 PolarHBondContact O-N 3.47Å; G170-G174 CarbonylContact O-C 3.6Å; G170-G174 VanDerWaalsContact O-CA 3.3Å; G170-G174 WeakPolarHBondContact O-CA 3.46Å; G170-G174 PolarHBondContact O-N 3.14Å; G170-V175 PolarHBondContact O-N 2.87Å
171V97.1Very high97.2Very high28 Ų2846.4 Ų46.417%0.1727%0.269CS..Iπ-helixtrans-87.9-59.6-174.3-173.50000111.1I135 L167 I173 V175 G176I135-V171 HydrophobicContact CG2-CB 4.26Å; I135-V171 HydrophobicContact CG2-CG1 4.12Å; L167-V171 HydrophobicContact CD2-CG2 4.09Å; L167-V171 WeakPolarHBondContact O-CA 3.38Å; L167-V171 VanDerWaalsContact O-CB 3.28Å; L167-V171 WeakPolarHBondContact O-CB 3.47Å; L167-V171 PolarHBondContact O-N 2.93Å; V171-I173 PolarHBondContact O-N 3.42Å; V171-V175 HydrophobicContact CG1-CB 4.47Å; V171-V175 CarbonylContact O-C 3.58Å; V171-V175 WeakPolarHBondContact O-CB 3.28Å; V171-V175 PolarHBondContact O-N 2.92Å; V171-G176 PolarHBondContact O-N 3.31Å
172R96.8Very high97.3Very high23 Ų2347 Ų479%0.08727%0.274CS..Iπ-helixtrans-67.2-38.2-173.8-70.8-179.8159.8-147.80.5113G132 S133 T136 L167 F168G132-R172 WeakPolarHBondContact O-CG 3.12Å; S133-R172 VanDerWaalsContact C-NH2 3.29Å; S133-R172 PolarHBondContact O-NE 2.89Å; S133-R172 PolarHBondContact O-NH2 3.37Å; T136-R172 HydrophobicContact CG2-CG 4.45Å; T136-R172 PolarHBondContact OG1-NE 2.82Å; T136-R172 VanDerWaalsContact OG1-NE 3.08Å; L167-R172 PolarHBondContact O-N 3.15Å; F168-R172 HydrophobicContact CD1-CB 4.34Å; F168-R172 HydrophobicContact CE1-CB 4.38Å; F168-R172 VanDerWaalsContact CE2-CD 3.44Å; F168-R172 WeakPolarHBondContact O-CA 3.5Å; F168-R172 VanDerWaalsContact O-CB 3.28Å; F168-R172 WeakPolarHBondContact O-CB 3.23Å; F168-R172 PolarHBondContact O-N 3.37Å
173I97.9Very high97.3Very high15 Ų1540.5 Ų40.58%0.07725%0.246CC..Iπ-helixtrans-90.5-54.2178.9-55.8-57.4000111.8F168 T169 V171 A177 Y201 W205 M208F168-I173 HydrophobicContact CD1-CG1 4.29Å; F168-I173 HydrophobicContact CE1-CD1 4.22Å; F168-I173 HydrophobicContact CE1-CG1 4.33Å; F168-I173 PolarHBondContact O-N 3.3Å; F168-I173 VanDerWaalsContact O-N 3.09Å; T169-I173 WeakPolarHBondContact O-CB 3.23Å; V171-I173 PolarHBondContact O-N 3.42Å; I173-A177 WeakPolarHBondContact O-CB 3.19Å; I173-A177 PolarHBondContact O-N 3.39Å; I173-Y201 PolarHBondContact O-OH 3.44Å; I173-W205 HydrophobicContact CD1-CD2 4.27Å; I173-W205 HydrophobicContact CD1-CG 4.37Å; I173-W205 HydrophobicContact CG2-CH2 3.78Å; I173-W205 HydrophobicContact CG2-CZ2 3.42Å; I173-W205 VanDerWaalsContact CG2-CZ2 3.42Å; I173-W205 HydrophobicContact CG2-CZ3 4.48Å; I173-M208 HydrophobicContact CD1-CB 3.99Å; I173-M208 HydrophobicContact CD1-CG 4.41Å; I173-M208 HydrophobicContact CG1-CB 4.15Å; I173-M208 HydrophobicContact CG1-CG 4.07Å; I173-M208 HydrophobicContact CG1-SD 4.34Å
174G97.8Very high97.2Very high39 Ų3940.8 Ų40.840%0.40225%0.246SC..Iπ-helixtrans-67.7-67.7-176.900000113.2T169 G170 G176 A177 H178T169-G174 PolarHBondContact O-N 3.02Å; G170-G174 CarbonylContact O-C 3.6Å; G170-G174 VanDerWaalsContact O-CA 3.3Å; G170-G174 WeakPolarHBondContact O-CA 3.46Å; G170-G174 PolarHBondContact O-N 3.14Å; G174-G176 VanDerWaalsContact C-N 3.25Å; G174-G176 PolarHBondContact O-N 3.07Å; G174-A177 WeakPolarHBondContact O-CB 3.39Å; G174-A177 PolarHBondContact O-N 2.99Å; G174-A177 VanDerWaalsContact O-N 3.11Å; G174-H178 PolarHBondContact O-N 2.9Å
175V97.5Very high97.2Very high69 Ų6944.7 Ų44.742%0.41827%0.271SS..Iπ-helixtrans-61.3-37.1178.6179.70000111.1F63 G170 V171 A177 H178 L179F63-V175 HydrophobicContact CE1-CG1 4.29Å; F63-V175 HydrophobicContact CZ-CG1 3.7Å; G170-V175 PolarHBondContact O-N 2.87Å; V171-V175 HydrophobicContact CG1-CB 4.47Å; V171-V175 CarbonylContact O-C 3.58Å; V171-V175 WeakPolarHBondContact O-CB 3.28Å; V171-V175 PolarHBondContact O-N 2.92Å; V175-A177 VanDerWaalsContact C-N 3.33Å; V175-A177 PolarHBondContact O-N 3.45Å; V175-H178 PolarHBondContact O-N 2.97Å; V175-H178 VanDerWaalsContact O-N 3.16Å; V175-L179 PolarHBondContact O-N 3.21Å
176G97.3Very high97.1Very high17 Ų1743.8 Ų43.818%0.17527%0.266CS..Hα-helixtrans-58.7-38.4173.600000113.8V171 G174 L179 L180V171-G176 PolarHBondContact O-N 3.31Å; G174-G176 VanDerWaalsContact C-N 3.25Å; G174-G176 PolarHBondContact O-N 3.07Å; G176-L179 PolarHBondContact O-N 3.4Å; G176-L180 WeakPolarHBondContact O-CB 3.32Å; G176-L180 PolarHBondContact O-N 3.5Å
177A97.4Very high96.9Very high40 Ų4047.6 Ų47.633%0.33129%0.287SS..Hα-helixtrans-62.1-44.5174.100000111.6I173 G174 V175 L180 F181 Y201I173-A177 WeakPolarHBondContact O-CB 3.19Å; I173-A177 PolarHBondContact O-N 3.39Å; G174-A177 WeakPolarHBondContact O-CB 3.39Å; G174-A177 PolarHBondContact O-N 2.99Å; G174-A177 VanDerWaalsContact O-N 3.11Å; V175-A177 VanDerWaalsContact C-N 3.33Å; V175-A177 PolarHBondContact O-N 3.45Å; A177-L180 PolarHBondContact O-N 3.28Å; A177-F181 WeakPolarHBondContact O-CB 3.39Å; A177-F181 PolarHBondContact O-N 3.44Å; A177-Y201 WeakPolarHBondContact CB-OH 3.33Å
178H97.8Very high96.7Very high102 Ų10248.8 Ų48.847%0.47230%0.297SS..Hα-helixtrans-66.7-41.8-179.6-173.547.1000111.5F63 G174 V175 F181 C182F63-H178 AromaticContact CD1-CD2 3.31Å; F63-H178 WeakPolarHBondContact CD1-CD2 3.41Å; F63-H178 AromaticContact CD1-NE2 3.75Å; F63-H178 HydrophobicContact CE1-CB 4.24Å; F63-H178 AromaticContact CE1-CD2 3.43Å; F63-H178 VanDerWaalsContact CE1-CD2 3.43Å; F63-H178 WeakPolarHBondContact CE1-CD2 3.3Å; G174-H178 PolarHBondContact O-N 2.9Å; V175-H178 PolarHBondContact O-N 2.97Å; V175-H178 VanDerWaalsContact O-N 3.16Å; H178-F181 WeakPolarHBondContact O-CB 3.5Å; H178-F181 PolarHBondContact O-N 3.44Å; H178-C182 PolarHBondContact O-N 3.37Å; H178-C182 PolarHBondContact O-SG 2.98Å; H178-C182 VanDerWaalsContact O-SG 3.42Å
179L97.1Very high96.6Very high13 Ų1349 Ų497%0.06830%0.298CS..Hα-helixtrans-61.2-48.3176.1-178.363.8000111.1P62 F63 A128 V129 V175 G176 F181 C182 E183P62-L179 HydrophobicContact CB-CD1 3.88Å; F63-L179 HydrophobicContact CD1-CB 4.48Å; F63-L179 HydrophobicContact CD1-CD1 4.29Å; F63-L179 HydrophobicContact CE1-CB 3.82Å; F63-L179 HydrophobicContact CE1-CD1 4.15Å; F63-L179 HydrophobicContact CZ-CB 4.36Å; F63-L179 HydrophobicContact CZ-CD1 4.42Å; A128-L179 HydrophobicContact CB-CD1 4.25Å; A128-L179 HydrophobicContact CB-CD2 3.81Å; V129-L179 HydrophobicContact CG2-CD2 3.79Å; V175-L179 PolarHBondContact O-N 3.21Å; G176-L179 PolarHBondContact O-N 3.4Å; L179-F181 VanDerWaalsContact C-N 3.3Å; L179-F181 PolarHBondContact O-N 2.93Å; L179-C182 PolarHBondContact O-N 2.98Å; L179-E183 PolarHBondContact O-N 3.28Å
180L97.4Very high96.4Very high27 Ų2750.2 Ų50.214%0.14130%0.299CS..Hα-helixtrans-60.6-41.3176.618062.5000111.3G176 A177 C182 E183 M184 I198 Y201G176-L180 WeakPolarHBondContact O-CB 3.32Å; G176-L180 PolarHBondContact O-N 3.5Å; A177-L180 PolarHBondContact O-N 3.28Å; L180-C182 PolarHBondContact O-N 2.91Å; L180-E183 PolarHBondContact O-N 3.48Å; L180-M184 HydrophobicContact CD1-CG 4.07Å; L180-M184 HydrophobicContact CD1-SD 4.46Å; L180-M184 HydrophobicContact CG-CG 4.2Å; L180-M184 WeakPolarHBondContact O-CB 3.31Å; L180-M184 WeakPolarHBondContact O-CG 3.23Å; L180-M184 PolarHBondContact O-N 3.05Å; L180-I198 HydrophobicContact CD1-CG1 4.21Å; L180-I198 HydrophobicContact CD2-CG1 4.48Å; L180-Y201 HydrophobicContact CD2-CD1 3.58Å; L180-Y201 HydrophobicContact CD2-CE1 4.37Å; L180-Y201 HydrophobicContact CD2-CG 3.8Å
181F97.7Very high96.3Very high127 Ų12757.5 Ų57.556%0.55732%0.315SS*.Hα-helixtrans-59.9-47176.2175.7-97.8000112A177 H178 L179 E183 M184 V185A177-F181 WeakPolarHBondContact O-CB 3.39Å; A177-F181 PolarHBondContact O-N 3.44Å; H178-F181 WeakPolarHBondContact O-CB 3.5Å; H178-F181 PolarHBondContact O-N 3.44Å; L179-F181 VanDerWaalsContact C-N 3.3Å; L179-F181 PolarHBondContact O-N 2.93Å; F181-E183 VanDerWaalsContact C-N 3.33Å; F181-E183 PolarHBondContact O-N 2.99Å; F181-M184 PolarHBondContact O-N 3.39Å; F181-V185 HydrophobicContact CD1-CG2 4.44Å; F181-V185 HydrophobicContact CD2-CG2 4.17Å; F181-V185 HydrophobicContact CE1-CG2 4.04Å; F181-V185 HydrophobicContact CE2-CG2 3.74Å; F181-V185 HydrophobicContact CZ-CG2 3.68Å; F181-V185 WeakPolarHBondContact O-CG2 3.18Å; F181-V185 PolarHBondContact O-N 3.32Å
182C96.8Very high96.1Very high21 Ų2159.2 Ų59.214%0.14232%0.32CS..Hα-helixtrans-59-43.6175.9-71.80000112F63 H178 L179 L180 S186F63-C182 PolarHBondContact O-SG 3.32Å; H178-C182 PolarHBondContact O-N 3.37Å; H178-C182 PolarHBondContact O-SG 2.98Å; H178-C182 VanDerWaalsContact O-SG 3.42Å; L179-C182 PolarHBondContact O-N 2.98Å; L180-C182 PolarHBondContact O-N 2.91Å; C182-S186 WeakPolarHBondContact O-CB 3.39Å; C182-S186 PolarHBondContact O-N 3.42Å
183E95.9Very high96Very high8 Ų858.6 Ų58.64%0.03732%0.319CS..Hα-helixtrans-62.2-44.5175.9-170.5-170.1156.700111.8L179 L180 F181 S186 P189 K194L179-E183 PolarHBondContact O-N 3.28Å; L180-E183 PolarHBondContact O-N 3.48Å; F181-E183 VanDerWaalsContact C-N 3.33Å; F181-E183 PolarHBondContact O-N 2.99Å; E183-S186 PolarHBondContact O-N 2.97Å; E183-P189 HydrophobicContact CG-CB 4.38Å; E183-P189 HydrophobicContact CG-CG 4.1Å; E183-K194 HydrophobicContact CG-CG 4.46Å; E183-K194 WeakPolarHBondContact O-CE 3.38Å; E183-K194 PolarHBondContact O-NZ 2.91Å; E183-K194 WeakPolarHBondContact OE1-CA 3.38Å; E183-K194 PolarHBondContact OE1-N 3.05Å
184M96.4Very high96Very high79 Ų7959.6 Ų59.639%0.38932%0.322SS..Hα-helixtrans-65.6-40.6-178.5-72.9-58-62.100112.7L180 F181 K194 I198L180-M184 HydrophobicContact CD1-CG 4.07Å; L180-M184 HydrophobicContact CD1-SD 4.46Å; L180-M184 HydrophobicContact CG-CG 4.2Å; L180-M184 WeakPolarHBondContact O-CB 3.31Å; L180-M184 WeakPolarHBondContact O-CG 3.23Å; L180-M184 PolarHBondContact O-N 3.05Å; F181-M184 PolarHBondContact O-N 3.39Å; M184-K194 PolarHBondContact O-NZ 3.12Å; M184-K194 HydrophobicContact SD-CB 3.72Å; M184-K194 HydrophobicContact SD-CD 4.1Å; M184-K194 HydrophobicContact SD-CG 4.18Å; M184-I198 HydrophobicContact CE-CD1 4.01Å; M184-I198 HydrophobicContact SD-CD1 3.89Å; M184-I198 HydrophobicContact SD-CG1 4.14Å
185V96Very high95.9Very high99 Ų9961.5 Ų61.560%0.633%0.326SS*.Hα-helixtrans-76-29.6179.7174.60000111.8F181F181-V185 HydrophobicContact CD1-CG2 4.44Å; F181-V185 HydrophobicContact CD2-CG2 4.17Å; F181-V185 HydrophobicContact CE1-CG2 4.04Å; F181-V185 HydrophobicContact CE2-CG2 3.74Å; F181-V185 HydrophobicContact CZ-CG2 3.68Å; F181-V185 WeakPolarHBondContact O-CG2 3.18Å; F181-V185 PolarHBondContact O-N 3.32Å
186S94.1Very high95.9Very high19 Ų1959.7 Ų59.713%0.13332%0.322CS..  trans-65.2135-179.2-172.40000112.2P66 C182 E183 T188 P189 K194P66-S186 VanDerWaalsContact CG-CB 3.44Å; C182-S186 WeakPolarHBondContact O-CB 3.39Å; C182-S186 PolarHBondContact O-N 3.42Å; E183-S186 PolarHBondContact O-N 2.97Å; S186-T188 VanDerWaalsContact C-N 3.27Å; S186-T188 PolarHBondContact O-N 3.04Å; S186-T188 PolarHBondContact OG-N 2.98Å; S186-T188 PolarHBondContact OG-OG1 3.5Å; S186-P189 WeakPolarHBondContact O-CD 3.36Å; S186-K194 WeakPolarHBondContact O-CE 3.33Å; S186-K194 PolarHBondContact O-NZ 3.3Å
187P93.6Very high95.9Very high125 Ų12559.6 Ų59.681%0.81232%0.321SS*.SBendtrans-77.2-12176.532.1-35.5000113.3
188T93.9Very high95.9Very high79 Ų7961.6 Ų61.649%0.48533%0.325SS..SBendtrans-79.8-44.3-171.247.90000114.8P66 S186 K190P66-T188 PolarHBondContact O-OG1 3.03Å; S186-T188 VanDerWaalsContact C-N 3.27Å; S186-T188 PolarHBondContact O-N 3.04Å; S186-T188 PolarHBondContact OG-N 2.98Å; S186-T188 PolarHBondContact OG-OG1 3.5Å; T188-K190 PolarHBondContact O-N 3.24Å
189P94.1Very high95.9Very high6 Ų658.3 Ų58.34%0.03932%0.316CS..SBendtrans-69.8137.8-178.5-14.832000110.2P66 E183 S186 V193 K194P66-P189 HydrophobicContact CB-CG 3.93Å; P66-P189 HydrophobicContact CG-CG 4.34Å; E183-P189 HydrophobicContact CG-CB 4.38Å; E183-P189 HydrophobicContact CG-CG 4.1Å; S186-P189 WeakPolarHBondContact O-CD 3.36Å; P189-V193 HydrophobicContact CB-CB 4.47Å; P189-V193 HydrophobicContact CB-CG1 4.47Å; P189-K194 HydrophobicContact CB-CG 4.4Å; P189-K194 WeakPolarHBondContact O-CE 3.4Å
190K94.4Very high95.9Very high79 Ų7958.7 Ų58.734%0.34332%0.317SS..  trans-63.1148.7177.8-64.6173-173.7159.80110L119 E121 T188 F192 V193 K194L119-K190 HydrophobicContact CD1-CD 4.34Å; L119-K190 HydrophobicContact CD2-CD 4.11Å; E121-K190 VanDerWaalsContact OE2-CE 3.26Å; E121-K190 WeakPolarHBondContact OE2-CE 3.38Å; E121-K190 IonicContact OE2-NZ 2.96Å; E121-K190 PolarHBondContact OE2-NZ 3.39Å; T188-K190 PolarHBondContact O-N 3.24Å; K190-F192 HydrophobicContact CB-CD1 3.95Å; K190-F192 HydrophobicContact CB-CE1 3.49Å; K190-F192 VanDerWaalsContact CB-CE1 3.49Å; K190-F192 HydrophobicContact CB-CE2 4.49Å; K190-F192 HydrophobicContact CB-CZ 3.8Å; K190-F192 HydrophobicContact CD-CE1 3.76Å; K190-F192 HydrophobicContact CD-CZ 3.65Å; K190-F192 HydrophobicContact CG-CE1 4.17Å; K190-F192 HydrophobicContact CG-CZ 4.32Å; K190-F192 PolarHBondContact O-N 3.41Å; K190-V193 HydrophobicContact CB-CG2 4.28Å; K190-V193 WeakPolarHBondContact O-CB 3.43Å; K190-V193 PolarHBondContact O-N 2.86Å; K190-K194 PolarHBondContact O-N 3.43Å
191W94.8Very high95.9Very high193 Ų19359.5 Ų59.573%0.73132%0.319SS*.Hα-helixtrans-54.5-33.9-174.171.6-93.7000113.7K194 V195W191-K194 WeakPolarHBondContact O-CB 3.44Å; W191-K194 PolarHBondContact O-N 3.17Å; W191-V195 HydrophobicContact CE3-CG2 4.01Å; W191-V195 HydrophobicContact CZ3-CG2 4.15Å; W191-V195 WeakPolarHBondContact O-CG2 3.41Å; W191-V195 PolarHBondContact O-N 3.47Å; W191-V195 VanDerWaalsContact O-N 3.15Å
192F93.4Very high95.9Very high63 Ų6355.9 Ų55.928%0.27631%0.312SS..Hα-helixtrans-78.2-23.5-179.360-96.6000113.2M115 L119 K190 V195 G196M115-F192 HydrophobicContact CE-CD2 3.88Å; M115-F192 HydrophobicContact CE-CE2 4.38Å; M115-F192 HydrophobicContact CG-CD2 4.22Å; M115-F192 HydrophobicContact CG-CE2 3.79Å; M115-F192 HydrophobicContact SD-CD2 3.46Å; M115-F192 WeakPolarHBondContact SD-CD2 3.41Å; M115-F192 HydrophobicContact SD-CE2 3.63Å; L119-F192 HydrophobicContact CD1-CE2 3.71Å; L119-F192 HydrophobicContact CD1-CZ 3.8Å; L119-F192 HydrophobicContact CD2-CE2 4.33Å; L119-F192 HydrophobicContact CD2-CZ 3.81Å; L119-F192 HydrophobicContact CG-CE2 4.45Å; L119-F192 HydrophobicContact CG-CZ 4.37Å; K190-F192 HydrophobicContact CB-CD1 3.95Å; K190-F192 HydrophobicContact CB-CE1 3.49Å; K190-F192 VanDerWaalsContact CB-CE1 3.49Å; K190-F192 HydrophobicContact CB-CE2 4.49Å; K190-F192 HydrophobicContact CB-CZ 3.8Å; K190-F192 HydrophobicContact CD-CE1 3.76Å; K190-F192 HydrophobicContact CD-CZ 3.65Å; K190-F192 HydrophobicContact CG-CE1 4.17Å; K190-F192 HydrophobicContact CG-CZ 4.32Å; K190-F192 PolarHBondContact O-N 3.41Å; F192-V195 PolarHBondContact O-N 3.23Å; F192-G196 PolarHBondContact O-N 2.72Å; F192-G196 VanDerWaalsContact O-N 3.08Å
193V94.9Very high95.9Very high11 Ų1155.6 Ų55.67%0.06731%0.31CS..Hα-helixtrans-65.1-46.3169.7-179.50000108.9M115 L119 P189 K190 V195 G196 G197M115-V193 HydrophobicContact SD-CB 4.42Å; M115-V193 HydrophobicContact SD-CG2 3.82Å; L119-V193 HydrophobicContact CD1-CG2 3.93Å; P189-V193 HydrophobicContact CB-CB 4.47Å; P189-V193 HydrophobicContact CB-CG1 4.47Å; K190-V193 HydrophobicContact CB-CG2 4.28Å; K190-V193 WeakPolarHBondContact O-CB 3.43Å; K190-V193 PolarHBondContact O-N 2.86Å; V193-V195 VanDerWaalsContact C-N 3.33Å; V193-V195 PolarHBondContact O-N 3.01Å; V193-G196 CarbonylContact O-C 3.53Å; V193-G196 VanDerWaalsContact O-CA 3.3Å; V193-G196 WeakPolarHBondContact O-CA 3.31Å; V193-G196 PolarHBondContact O-N 2.93Å; V193-G197 PolarHBondContact O-N 2.8Å
194K96.9Very high96Very high35 Ų3555.7 Ų55.715%0.15231%0.312CS..Hα-helixtrans-57.6-42.7175.3-61.8-174.2178.6-165.50113E183 M184 S186 P189 K190 W191 G196 G197 I198E183-K194 HydrophobicContact CG-CG 4.46Å; E183-K194 WeakPolarHBondContact O-CE 3.38Å; E183-K194 PolarHBondContact O-NZ 2.91Å; E183-K194 WeakPolarHBondContact OE1-CA 3.38Å; E183-K194 PolarHBondContact OE1-N 3.05Å; M184-K194 PolarHBondContact O-NZ 3.12Å; M184-K194 HydrophobicContact SD-CB 3.72Å; M184-K194 HydrophobicContact SD-CD 4.1Å; M184-K194 HydrophobicContact SD-CG 4.18Å; S186-K194 WeakPolarHBondContact O-CE 3.33Å; S186-K194 PolarHBondContact O-NZ 3.3Å; P189-K194 HydrophobicContact CB-CG 4.4Å; P189-K194 WeakPolarHBondContact O-CE 3.4Å; K190-K194 PolarHBondContact O-N 3.43Å; W191-K194 WeakPolarHBondContact O-CB 3.44Å; W191-K194 PolarHBondContact O-N 3.17Å; K194-G196 VanDerWaalsContact C-N 3.29Å; K194-G196 PolarHBondContact O-N 3.12Å; K194-G197 PolarHBondContact O-N 2.58Å; K194-I198 WeakPolarHBondContact O-CG1 3.32Å; K194-I198 PolarHBondContact O-N 3.29Å
195V97.2Very high96.1Very high80 Ų8057.6 Ų57.649%0.48531%0.314SS..Hα-helixtrans-61.2-40.7174.1172.10000110.9W191 F192 V193 I198 A199W191-V195 HydrophobicContact CE3-CG2 4.01Å; W191-V195 HydrophobicContact CZ3-CG2 4.15Å; W191-V195 WeakPolarHBondContact O-CG2 3.41Å; W191-V195 PolarHBondContact O-N 3.47Å; W191-V195 VanDerWaalsContact O-N 3.15Å; F192-V195 PolarHBondContact O-N 3.23Å; V193-V195 VanDerWaalsContact C-N 3.33Å; V193-V195 PolarHBondContact O-N 3.01Å; V195-I198 PolarHBondContact O-N 3.45Å; V195-A199 WeakPolarHBondContact O-CB 3.44Å; V195-A199 PolarHBondContact O-N 3.36Å
196G96.6Very high96.1Very high31 Ų3156 Ų5632%0.3231%0.307SS..Hα-helixtrans-59.2-45.717200000112.8F192 V193 K194 I198 A199 M200F192-G196 PolarHBondContact O-N 2.72Å; F192-G196 VanDerWaalsContact O-N 3.08Å; V193-G196 CarbonylContact O-C 3.53Å; V193-G196 VanDerWaalsContact O-CA 3.3Å; V193-G196 WeakPolarHBondContact O-CA 3.31Å; V193-G196 PolarHBondContact O-N 2.93Å; K194-G196 VanDerWaalsContact C-N 3.29Å; K194-G196 PolarHBondContact O-N 3.12Å; G196-I198 PolarHBondContact O-N 3.46Å; G196-A199 PolarHBondContact O-N 2.87Å; G196-M200 WeakPolarHBondContact O-CB 3.4Å; G196-M200 PolarHBondContact O-N 3.29Å
197G96.6Very high96.3Very high15 Ų1556.6 Ų56.616%0.15531%0.307CS..Hα-helixtrans-58.3-46.5175.100000112.7V193 K194 M200 Y201V193-G197 PolarHBondContact O-N 2.8Å; K194-G197 PolarHBondContact O-N 2.58Å; G197-M200 PolarHBondContact O-N 3.07Å; G197-Y201 WeakPolarHBondContact O-CB 3.36Å; G197-Y201 PolarHBondContact O-N 2.91Å
198I98Very high96.4Very high81 Ų8151.9 Ų51.942%0.41528%0.275SS..Hα-helixtrans-60.8-47.1175.1-66.4167.2000111L180 M184 K194 V195 G196 M200 Y201 A202L180-I198 HydrophobicContact CD1-CG1 4.21Å; L180-I198 HydrophobicContact CD2-CG1 4.48Å; M184-I198 HydrophobicContact CE-CD1 4.01Å; M184-I198 HydrophobicContact SD-CD1 3.89Å; M184-I198 HydrophobicContact SD-CG1 4.14Å; K194-I198 WeakPolarHBondContact O-CG1 3.32Å; K194-I198 PolarHBondContact O-N 3.29Å; V195-I198 PolarHBondContact O-N 3.45Å; G196-I198 PolarHBondContact O-N 3.46Å; I198-M200 VanDerWaalsContact C-N 3.34Å; I198-M200 PolarHBondContact O-N 3.3Å; I198-Y201 PolarHBondContact O-N 3.12Å; I198-A202 WeakPolarHBondContact O-CB 3.1Å; I198-A202 PolarHBondContact O-N 3.01Å
199A97.8Very high96.5Very high34 Ų3451.2 Ų51.228%0.28127%0.271SS..Hα-helixtrans-60.9-44.1-179.700000111.6L108 V195 G196 A202 V203L108-A199 HydrophobicContact CD1-CB 4.29Å; L108-A199 HydrophobicContact CD2-CB 4.36Å; V195-A199 WeakPolarHBondContact O-CB 3.44Å; V195-A199 PolarHBondContact O-N 3.36Å; G196-A199 PolarHBondContact O-N 2.87Å; A199-A202 PolarHBondContact O-N 3.31Å; A199-V203 PolarHBondContact O-N 2.91Å; A199-V203 VanDerWaalsContact O-N 3.12Å
200M97.1Very high96.6Very high21 Ų2153.9 Ų53.910%0.10329%0.289CS..Hα-helixtrans-66.8-40.3177.8-170.846.6-119.200111.6H105 V129 G196 G197 I198 A202 V203 S204H105-M200 WeakPolarHBondContact CE1-CE 3.33Å; H105-M200 WeakPolarHBondContact ND1-CE 3.18Å; H105-M200 PolarHBondContact ND1-SD 3.49Å; V129-M200 HydrophobicContact CG1-CG 4.26Å; G196-M200 WeakPolarHBondContact O-CB 3.4Å; G196-M200 PolarHBondContact O-N 3.29Å; G197-M200 PolarHBondContact O-N 3.07Å; I198-M200 VanDerWaalsContact C-N 3.34Å; I198-M200 PolarHBondContact O-N 3.3Å; M200-A202 PolarHBondContact O-N 3.27Å; M200-V203 HydrophobicContact CE-CB 4.31Å; M200-V203 HydrophobicContact CE-CG1 4.24Å; M200-V203 PolarHBondContact O-N 3.41Å; M200-S204 WeakPolarHBondContact CE-OG 3.27Å; M200-S204 PolarHBondContact O-N 3.45Å; M200-S204 VanDerWaalsContact O-N 3.07Å; M200-S204 PolarHBondContact O-OG 3.1Å
201Y97.9Very high96.5Very high43 Ų4350.9 Ų50.917%0.16928%0.277CS..Hα-helixtrans-65.4-37.5175.5-167.5-118.9000112.5I173 A177 L180 G197 I198 V203 S204 W205I173-Y201 PolarHBondContact O-OH 3.44Å; A177-Y201 WeakPolarHBondContact CB-OH 3.33Å; L180-Y201 HydrophobicContact CD2-CD1 3.58Å; L180-Y201 HydrophobicContact CD2-CE1 4.37Å; L180-Y201 HydrophobicContact CD2-CG 3.8Å; G197-Y201 WeakPolarHBondContact O-CB 3.36Å; G197-Y201 PolarHBondContact O-N 2.91Å; I198-Y201 PolarHBondContact O-N 3.12Å; Y201-V203 PolarHBondContact O-N 3.4Å; Y201-S204 WeakPolarHBondContact O-CB 3.46Å; Y201-S204 PolarHBondContact O-N 3.48Å; Y201-S204 VanDerWaalsContact O-N 3.12Å; Y201-W205 AromaticContact CD1-CD1 3.84Å; Y201-W205 AromaticContact CD1-NE1 3.87Å; Y201-W205 AromaticContact CE1-CD1 3.54Å; Y201-W205 AromaticContact CE1-NE1 3.07Å; Y201-W205 AromaticContact CZ-CD1 3.8Å; Y201-W205 AromaticContact CZ-NE1 3.16Å; Y201-W205 PolarHBondContact O-N 2.87Å; Y201-W205 PolarHBondContact OH-NE1 3.46Å; Y201-W205 VanDerWaalsContact OH-NE1 3.12Å
202A98Very high96.5Very high51 Ų5149.1 Ų49.142%0.42127%0.27SS..Hα-helixtrans-61.3-42.717400000112.1I198 A199 M200 S204 W205 C206I198-A202 WeakPolarHBondContact O-CB 3.1Å; I198-A202 PolarHBondContact O-N 3.01Å; A199-A202 PolarHBondContact O-N 3.31Å; M200-A202 PolarHBondContact O-N 3.27Å; A202-S204 VanDerWaalsContact C-N 3.28Å; A202-S204 PolarHBondContact O-N 3.43Å; A202-W205 PolarHBondContact O-N 3.2Å; A202-C206 PolarHBondContact O-N 3.41Å; A202-C206 PolarHBondContact O-SG 2.71Å
203V97.3Very high96.5Very high16 Ų1653.8 Ų53.810%0.09729%0.286CS..Hα-helixtrans-60.5-38.9173.2168.90000111.5L101 H105 L108 A199 M200 Y201 W205 C206 F207L101-V203 HydrophobicContact CD1-CG1 4.03Å; H105-V203 HydrophobicContact CB-CG1 3.89Å; L108-V203 HydrophobicContact CD1-CG2 3.72Å; A199-V203 PolarHBondContact O-N 2.91Å; A199-V203 VanDerWaalsContact O-N 3.12Å; M200-V203 HydrophobicContact CE-CB 4.31Å; M200-V203 HydrophobicContact CE-CG1 4.24Å; M200-V203 PolarHBondContact O-N 3.41Å; Y201-V203 PolarHBondContact O-N 3.4Å; V203-W205 VanDerWaalsContact C-N 3.32Å; V203-W205 PolarHBondContact O-N 3.37Å; V203-C206 WeakPolarHBondContact O-CB 3.37Å; V203-C206 PolarHBondContact O-N 2.83Å; V203-F207 HydrophobicContact CG1-CD2 3.91Å; V203-F207 HydrophobicContact CG1-CE2 3.67Å; V203-F207 WeakPolarHBondContact O-CD2 3.49Å; V203-F207 PolarHBondContact O-N 2.97Å
204S96.7Very high96.4Very high10 Ų1056.2 Ų56.27%0.0730%0.296CS..Hα-helixtrans-61.9-39.1175.6-59.50000112.3F168 M200 Y201 A202 F207 M208F168-S204 WeakPolarHBondContact CE1-O 3.33Å; M200-S204 WeakPolarHBondContact CE-OG 3.27Å; M200-S204 PolarHBondContact O-N 3.45Å; M200-S204 VanDerWaalsContact O-N 3.07Å; M200-S204 PolarHBondContact O-OG 3.1Å; Y201-S204 WeakPolarHBondContact O-CB 3.46Å; Y201-S204 PolarHBondContact O-N 3.48Å; Y201-S204 VanDerWaalsContact O-N 3.12Å; A202-S204 VanDerWaalsContact C-N 3.28Å; A202-S204 PolarHBondContact O-N 3.43Å; S204-F207 WeakPolarHBondContact O-CB 3.44Å; S204-F207 PolarHBondContact O-N 3.09Å; S204-M208 PolarHBondContact O-N 3.05Å
205W98.1Very high96.1Very high118 Ų11855.6 Ų55.645%0.44730%0.297SS..Hα-helixtrans-66.5-40.4173.2-86.5102.2000113.3I173 Y201 A202 V203 F207 M208 V209I173-W205 HydrophobicContact CD1-CD2 4.27Å; I173-W205 HydrophobicContact CD1-CG 4.37Å; I173-W205 HydrophobicContact CG2-CH2 3.78Å; I173-W205 HydrophobicContact CG2-CZ2 3.42Å; I173-W205 VanDerWaalsContact CG2-CZ2 3.42Å; I173-W205 HydrophobicContact CG2-CZ3 4.48Å; Y201-W205 AromaticContact CD1-CD1 3.84Å; Y201-W205 AromaticContact CD1-NE1 3.87Å; Y201-W205 AromaticContact CE1-CD1 3.54Å; Y201-W205 AromaticContact CE1-NE1 3.07Å; Y201-W205 AromaticContact CZ-CD1 3.8Å; Y201-W205 AromaticContact CZ-NE1 3.16Å; Y201-W205 PolarHBondContact O-N 2.87Å; Y201-W205 PolarHBondContact OH-NE1 3.46Å; Y201-W205 VanDerWaalsContact OH-NE1 3.12Å; A202-W205 PolarHBondContact O-N 3.2Å; V203-W205 VanDerWaalsContact C-N 3.32Å; V203-W205 PolarHBondContact O-N 3.37Å; W205-F207 VanDerWaalsContact C-N 3.28Å; W205-F207 PolarHBondContact O-N 3.47Å; W205-M208 HydrophobicContact CE3-CB 4.36Å; W205-M208 HydrophobicContact CE3-CG 4.37Å; W205-M208 HydrophobicContact CZ3-CG 4.41Å; W205-M208 WeakPolarHBondContact O-CB 3.48Å; W205-M208 PolarHBondContact O-N 3.42Å; W205-M208 VanDerWaalsContact O-N 3.08Å; W205-V209 WeakPolarHBondContact O-CG2 3.5Å; W205-V209 PolarHBondContact O-N 3Å
206C97.8Very high95.8Very high67 Ų6759 Ų5945%0.45330%0.302SS..Hα-helixtrans-58.6-41.5173.8-71.80000111.9L101 A202 V203 S210L101-C206 HydrophobicContact CD1-CB 3.72Å; L101-C206 HydrophobicContact CD2-CB 3.98Å; A202-C206 PolarHBondContact O-N 3.41Å; A202-C206 PolarHBondContact O-SG 2.71Å; V203-C206 WeakPolarHBondContact O-CB 3.37Å; V203-C206 PolarHBondContact O-N 2.83Å; C206-S210 PolarHBondContact O-N 2.96Å; C206-S210 PolarHBondContact O-OG 3Å; C206-S210 VanDerWaalsContact O-OG 3.12Å
207F96.7Very high95.6Very high31 Ų3165 Ų6514%0.13632%0.318CS..Hα-helixtrans-64-44.8171.3-80.5-58000111.9L101 M102 H105 F168 V203 S204 W205 V209 S210 I211L101-F207 HydrophobicContact CB-CE1 4.35Å; L101-F207 HydrophobicContact CB-CZ 4.43Å; L101-F207 HydrophobicContact CD2-CD1 3.46Å; L101-F207 VanDerWaalsContact CD2-CD1 3.46Å; L101-F207 HydrophobicContact CD2-CD2 4.32Å; L101-F207 HydrophobicContact CD2-CE1 3.58Å; L101-F207 HydrophobicContact CD2-CE2 4.43Å; L101-F207 HydrophobicContact CD2-CG 3.85Å; L101-F207 HydrophobicContact CD2-CZ 4.08Å; L101-F207 HydrophobicContact CG-CD1 4.06Å; L101-F207 HydrophobicContact CG-CD2 4.38Å; L101-F207 HydrophobicContact CG-CE1 3.7Å; L101-F207 HydrophobicContact CG-CE2 4.07Å; L101-F207 HydrophobicContact CG-CG 4.37Å; L101-F207 HydrophobicContact CG-CZ 3.71Å; M102-F207 HydrophobicContact CE-CE1 4.43Å; M102-F207 HydrophobicContact CE-CE2 4.08Å; M102-F207 HydrophobicContact CE-CZ 3.56Å; M102-F207 HydrophobicContact SD-CE1 4.22Å; M102-F207 HydrophobicContact SD-CZ 3.84Å; H105-F207 HydrophobicContact CB-CE2 3.97Å; H105-F207 HydrophobicContact CB-CZ 4.36Å; F168-F207 HydrophobicContact CE1-CB 4.1Å; F168-F207 HydrophobicContact CE2-CB 4.06Å; F168-F207 HydrophobicContact CZ-CB 3.36Å; F168-F207 HydrophobicContact CZ-CD2 4.49Å; F168-F207 HydrophobicContact CZ-CG 4.22Å; V203-F207 HydrophobicContact CG1-CD2 3.91Å; V203-F207 HydrophobicContact CG1-CE2 3.67Å; V203-F207 WeakPolarHBondContact O-CD2 3.49Å; V203-F207 PolarHBondContact O-N 2.97Å; S204-F207 WeakPolarHBondContact O-CB 3.44Å; S204-F207 PolarHBondContact O-N 3.09Å; W205-F207 VanDerWaalsContact C-N 3.28Å; W205-F207 PolarHBondContact O-N 3.47Å; F207-V209 VanDerWaalsContact C-N 3.3Å; F207-V209 PolarHBondContact O-N 3.34Å; F207-S210 WeakPolarHBondContact O-CA 3.33Å; F207-S210 WeakPolarHBondContact O-CB 3.46Å; F207-S210 PolarHBondContact O-N 3.41Å; F207-I211 HydrophobicContact CB-CD1 4.43Å; F207-I211 VanDerWaalsContact O-CG1 3.26Å; F207-I211 WeakPolarHBondContact O-CG1 3.28Å; F207-I211 PolarHBondContact O-N 3.37Å
208M97Very high95.3Very high25 Ų2566.4 Ų66.412%0.12332%0.32CS..Hα-helixtrans-56.8-42.9179.4-177.456.6179.400112.2F168 T169 I173 S204 W205 S210 I211 W212F168-M208 HydrophobicContact CD1-CB 4.49Å; F168-M208 HydrophobicContact CD1-SD 4.15Å; F168-M208 HydrophobicContact CE1-CB 4.07Å; T169-M208 HydrophobicContact CG2-CE 3.83Å; T169-M208 WeakPolarHBondContact OG1-CE 3.27Å; I173-M208 HydrophobicContact CD1-CB 3.99Å; I173-M208 HydrophobicContact CD1-CG 4.41Å; I173-M208 HydrophobicContact CG1-CB 4.15Å; I173-M208 HydrophobicContact CG1-CG 4.07Å; I173-M208 HydrophobicContact CG1-SD 4.34Å; S204-M208 PolarHBondContact O-N 3.05Å; W205-M208 HydrophobicContact CE3-CB 4.36Å; W205-M208 HydrophobicContact CE3-CG 4.37Å; W205-M208 HydrophobicContact CZ3-CG 4.41Å; W205-M208 WeakPolarHBondContact O-CB 3.48Å; W205-M208 PolarHBondContact O-N 3.42Å; W205-M208 VanDerWaalsContact O-N 3.08Å; M208-S210 VanDerWaalsContact C-N 3.3Å; M208-S210 PolarHBondContact O-N 3.3Å; M208-I211 PolarHBondContact O-N 3.4Å; M208-W212 VanDerWaalsContact O-CB 3.31Å; M208-W212 WeakPolarHBondContact O-CB 3.49Å; M208-W212 PolarHBondContact O-N 3.4Å
209V96.4Very high94.8Very high66 Ų6666 Ų6640%0.433%0.325SS..Hα-helixtrans-60.6-42.2175.61740000111.2W205 F207 R213W205-V209 WeakPolarHBondContact O-CG2 3.5Å; W205-V209 PolarHBondContact O-N 3Å; F207-V209 VanDerWaalsContact C-N 3.3Å; F207-V209 PolarHBondContact O-N 3.34Å; V209-R213 VanDerWaalsContact O-CG 3.25Å; V209-R213 WeakPolarHBondContact O-CG 3.36Å; V209-R213 PolarHBondContact O-N 3.34Å
210S94.3Very high94.5Very high62 Ų6267.6 Ų67.643%0.43433%0.328SS..Hα-helixtrans-66.2-41.3178.4-58.10000111.9C206 F207 M208 R213 F214C206-S210 PolarHBondContact O-N 2.96Å; C206-S210 PolarHBondContact O-OG 3Å; C206-S210 VanDerWaalsContact O-OG 3.12Å; F207-S210 WeakPolarHBondContact O-CA 3.33Å; F207-S210 WeakPolarHBondContact O-CB 3.46Å; F207-S210 PolarHBondContact O-N 3.41Å; M208-S210 VanDerWaalsContact C-N 3.3Å; M208-S210 PolarHBondContact O-N 3.3Å; S210-R213 PolarHBondContact O-N 2.97Å; S210-F214 PolarHBondContact O-N 2.9Å; S210-F214 VanDerWaalsContact O-N 3.07Å
211I94Very high94.1Very high16 Ų1674.4 Ų74.48%0.08236%0.357CS..Hα-helixtrans-67.5-44.2177.9-66.9167000110.7F164 V165 F168 F207 M208 R213 F214 A215F164-I211 HydrophobicContact CE1-CD1 3.59Å; F164-I211 HydrophobicContact CE1-CG1 3.9Å; F164-I211 HydrophobicContact CE1-CG2 4.29Å; F164-I211 HydrophobicContact CZ-CD1 3.84Å; F164-I211 HydrophobicContact CZ-CG1 4.47Å; V165-I211 HydrophobicContact CG2-CG2 3.77Å; F168-I211 HydrophobicContact CB-CD1 4.37Å; F168-I211 HydrophobicContact CD1-CD1 3.77Å; F168-I211 HydrophobicContact CD2-CD1 3.39Å; F168-I211 HydrophobicContact CE1-CD1 3.89Å; F168-I211 HydrophobicContact CE2-CD1 3.49Å; F168-I211 VanDerWaalsContact CE2-CD1 3.49Å; F168-I211 HydrophobicContact CG-CD1 3.55Å; F168-I211 HydrophobicContact CZ-CD1 3.79Å; F207-I211 HydrophobicContact CB-CD1 4.43Å; F207-I211 VanDerWaalsContact O-CG1 3.26Å; F207-I211 WeakPolarHBondContact O-CG1 3.28Å; F207-I211 PolarHBondContact O-N 3.37Å; M208-I211 PolarHBondContact O-N 3.4Å; I211-R213 VanDerWaalsContact C-N 3.35Å; I211-R213 PolarHBondContact O-N 3.35Å; I211-F214 WeakPolarHBondContact O-CB 3.29Å; I211-F214 PolarHBondContact O-N 3.5Å; I211-F214 VanDerWaalsContact O-N 3.13Å; I211-A215 WeakPolarHBondContact O-CB 3.38Å; I211-A215 PolarHBondContact O-N 3.33Å
212W94.1Very high93.6Very high155 Ų15577 Ų7759%0.58737%0.369SS*.Hα-helixtrans-58.6-46.8175.8178.7-101.3000111.4M208 F214 A215 W216M208-W212 VanDerWaalsContact O-CB 3.31Å; M208-W212 WeakPolarHBondContact O-CB 3.49Å; M208-W212 PolarHBondContact O-N 3.4Å; W212-F214 VanDerWaalsContact C-N 3.28Å; W212-F214 PolarHBondContact O-N 3.49Å; W212-A215 PolarHBondContact O-N 2.84Å; W212-W216 HydrophobicContact CZ2-CE3 4.35Å; W212-W216 VanDerWaalsContact O-CB 3.28Å; W212-W216 WeakPolarHBondContact O-CB 3.47Å; W212-W216 PolarHBondContact O-N 2.93Å
213R93.7Very high93.1Very high162 Ų16280.5 Ų80.561%0.61137%0.372SS*.Hα-helixtrans-58.4-40.9175-72.6171.1-178-178.32.3111.8V209 S210 I211 K217V209-R213 VanDerWaalsContact O-CG 3.25Å; V209-R213 WeakPolarHBondContact O-CG 3.36Å; V209-R213 PolarHBondContact O-N 3.34Å; S210-R213 PolarHBondContact O-N 2.97Å; I211-R213 VanDerWaalsContact C-N 3.35Å; I211-R213 PolarHBondContact O-N 3.35Å; R213-K217 WeakPolarHBondContact O-CB 3.42Å; R213-K217 VanDerWaalsContact O-CG 3.31Å; R213-K217 WeakPolarHBondContact O-CG 3.2Å; R213-K217 PolarHBondContact O-N 3.42Å; R213-K217 VanDerWaalsContact O-N 3.14Å
214F91.8Very high92.8Very high62 Ų6284.7 Ų84.727%0.27239%0.391SS..Hα-helixtrans-64.2-50.4175.2164.7-99.1000112Y152 D161 S210 I211 W212 W216 K217 K218Y152-F214 WeakPolarHBondContact OH-CZ 3.44Å; D161-F214 WeakPolarHBondContact OD2-CZ 3.39Å; S210-F214 PolarHBondContact O-N 2.9Å; S210-F214 VanDerWaalsContact O-N 3.07Å; I211-F214 WeakPolarHBondContact O-CB 3.29Å; I211-F214 PolarHBondContact O-N 3.5Å; I211-F214 VanDerWaalsContact O-N 3.13Å; W212-F214 VanDerWaalsContact C-N 3.28Å; W212-F214 PolarHBondContact O-N 3.49Å; F214-W216 VanDerWaalsContact C-N 3.33Å; F214-W216 PolarHBondContact O-N 2.75Å; F214-K217 PolarHBondContact O-N 3.4Å; F214-K218 HydrophobicContact CE1-CD 4.37Å; F214-K218 HydrophobicContact CZ-CD 3.88Å; F214-K218 WeakPolarHBondContact O-CB 3.38Å; F214-K218 PolarHBondContact O-N 2.9Å
215A91.8Very high92.4Very high22 Ų2286.7 Ų86.718%0.18241%0.408CS..Hα-helixtrans-61.2-41.7-179.100000111.6I211 W212 K218 S219I211-A215 WeakPolarHBondContact O-CB 3.38Å; I211-A215 PolarHBondContact O-N 3.33Å; W212-A215 PolarHBondContact O-N 2.84Å; A215-K218 PolarHBondContact O-N 2.88Å; A215-S219 WeakPolarHBondContact O-CB 3.42Å; A215-S219 PolarHBondContact O-N 3.3Å; A215-S219 PolarHBondContact O-OG 3.32Å
216W91.4Very high91.9Very high152 Ų15287.7 Ų87.758%0.57641%0.411SS*.Hα-helixtrans-60.3-52.1175.6-176-100.2000111.9W212 F214 K218 S219 I220W212-W216 HydrophobicContact CZ2-CE3 4.35Å; W212-W216 VanDerWaalsContact O-CB 3.28Å; W212-W216 WeakPolarHBondContact O-CB 3.47Å; W212-W216 PolarHBondContact O-N 2.93Å; F214-W216 VanDerWaalsContact C-N 3.33Å; F214-W216 PolarHBondContact O-N 2.75Å; W216-K218 VanDerWaalsContact C-N 3.33Å; W216-K218 PolarHBondContact O-N 2.88Å; W216-S219 PolarHBondContact O-N 3.24Å; W216-I220 HydrophobicContact CD2-CD1 4.37Å; W216-I220 HydrophobicContact CG-CD1 4.36Å; W216-I220 HydrophobicContact CZ2-CD1 4.13Å; W216-I220 WeakPolarHBondContact O-CG1 3.36Å; W216-I220 PolarHBondContact O-N 3.33Å
217K91.5Very high91.5Very high155 Ų15590.7 Ų90.767%0.67441%0.413SS*.Hα-helixtrans-59-43177.7-74.6179.1-179.8-174.50112.1R213 F214 K221R213-K217 WeakPolarHBondContact O-CB 3.42Å; R213-K217 VanDerWaalsContact O-CG 3.31Å; R213-K217 WeakPolarHBondContact O-CG 3.2Å; R213-K217 PolarHBondContact O-N 3.42Å; R213-K217 VanDerWaalsContact O-N 3.14Å; F214-K217 PolarHBondContact O-N 3.4Å; K217-K221 PolarHBondContact O-N 2.97Å; K217-K221 VanDerWaalsContact O-N 3.13Å
218K89.6Confident91Very high45 Ų4592.4 Ų92.420%0.19643%0.429CS..Hα-helixtrans-64.5-42.7178.1-169.7178-179-171.40111.3D158 D161 F214 A215 W216 K221 K222D158-K218 WeakPolarHBondContact OD1-CE 3.19Å; D158-K218 IonicContact OD1-NZ 3.05Å; D158-K218 PolarHBondContact OD1-NZ 2.96Å; D161-K218 IonicContact OD2-NZ 2.77Å; D161-K218 PolarHBondContact OD2-NZ 2.71Å; F214-K218 HydrophobicContact CE1-CD 4.37Å; F214-K218 HydrophobicContact CZ-CD 3.88Å; F214-K218 WeakPolarHBondContact O-CB 3.38Å; F214-K218 PolarHBondContact O-N 2.9Å; A215-K218 PolarHBondContact O-N 2.88Å; W216-K218 VanDerWaalsContact C-N 3.33Å; W216-K218 PolarHBondContact O-N 2.88Å; K218-K221 PolarHBondContact O-N 2.91Å; K218-K222 PolarHBondContact O-N 2.99Å
219S88.4Confident90.4Very high72 Ų7299.6 Ų99.650%0.50346%0.455SS..Hα-helixtrans-64.7-44.2179.9-58.60000111.9A215 W216 K221 K222 Y223A215-S219 WeakPolarHBondContact O-CB 3.42Å; A215-S219 PolarHBondContact O-N 3.3Å; A215-S219 PolarHBondContact O-OG 3.32Å; W216-S219 PolarHBondContact O-N 3.24Å; S219-K221 PolarHBondContact O-N 3.23Å; S219-K222 PolarHBondContact O-N 3.09Å; S219-Y223 WeakPolarHBondContact O-CB 3.43Å; S219-Y223 PolarHBondContact O-N 3.46Å
220I91.3Very high89.7Confident68 Ų68101.3 Ų101.335%0.34945%0.454SS..Hα-helixtrans-59.2-47.7174.8-74178.1000111.2W216 K222 Y223 H224W216-I220 HydrophobicContact CD2-CD1 4.37Å; W216-I220 HydrophobicContact CG-CD1 4.36Å; W216-I220 HydrophobicContact CZ2-CD1 4.13Å; W216-I220 WeakPolarHBondContact O-CG1 3.36Å; W216-I220 PolarHBondContact O-N 3.33Å; I220-K222 VanDerWaalsContact C-N 3.32Å; I220-K222 PolarHBondContact O-N 3.43Å; I220-Y223 PolarHBondContact O-N 2.72Å; I220-H224 VanDerWaalsContact CG2-CD2 3.44Å; I220-H224 WeakPolarHBondContact CG2-CD2 3.41Å; I220-H224 PolarHBondContact O-CD2 3.35Å; I220-H224 PolarHBondContact O-N 3.41Å
221K89.4Confident89Confident165 Ų165102.4 Ų102.472%0.71746%0.455SS*.Hα-helixtrans-59.8-42.7179.5-173.2176.8-179.5178.60111.8K217 K218 S219 A225K217-K221 PolarHBondContact O-N 2.97Å; K217-K221 VanDerWaalsContact O-N 3.13Å; K218-K221 PolarHBondContact O-N 2.91Å; S219-K221 PolarHBondContact O-N 3.23Å; K221-A225 WeakPolarHBondContact O-CB 3.26Å; K221-A225 PolarHBondContact O-N 3.48Å
222K87.2Confident88.1Confident98 Ų98108.4 Ų108.443%0.42648%0.483SS..Hα-helixtrans-66.4-42176.4-75.6-170.2172.6-169.20112.3D158 K218 S219 I220 A225 W226D158-K222 IonicContact OD1-NZ 2.76Å; D158-K222 PolarHBondContact OD1-NZ 2.78Å; D158-K222 IonicContact OD2-NZ 2.66Å; D158-K222 PolarHBondContact OD2-NZ 3.43Å; K218-K222 PolarHBondContact O-N 2.99Å; S219-K222 PolarHBondContact O-N 3.09Å; I220-K222 VanDerWaalsContact C-N 3.32Å; I220-K222 PolarHBondContact O-N 3.43Å; K222-A225 PolarHBondContact O-N 3.24Å; K222-W226 WeakPolarHBondContact O-CB 3.37Å; K222-W226 PolarHBondContact O-N 3.44Å
223Y87.3Confident87.1Confident124 Ų124108.6 Ų108.649%0.48649%0.49SS..Hα-helixtrans-60.4-45.7176.9176.6-106.2000111.8S219 I220 W226 R227S219-Y223 WeakPolarHBondContact O-CB 3.43Å; S219-Y223 PolarHBondContact O-N 3.46Å; I220-Y223 PolarHBondContact O-N 2.72Å; Y223-W226 HydrophobicContact CD2-CE3 4.42Å; Y223-W226 HydrophobicContact CE2-CE3 4.36Å; Y223-W226 HydrophobicContact CE2-CZ3 4.26Å; Y223-W226 PolarHBondContact O-N 3.48Å; Y223-R227 WeakPolarHBondContact O-CB 3.3Å; Y223-R227 PolarHBondContact O-N 3.35Å
224H89.8Confident85.7Confident103 Ų103108.6 Ų108.648%0.47749%0.49SS..Hα-helixtrans-62.4-45.1174.8-75.2-64.3000112.4I220 W226 R227 S228I220-H224 VanDerWaalsContact CG2-CD2 3.44Å; I220-H224 WeakPolarHBondContact CG2-CD2 3.41Å; I220-H224 PolarHBondContact O-CD2 3.35Å; I220-H224 PolarHBondContact O-N 3.41Å; H224-W226 VanDerWaalsContact C-N 3.34Å; H224-W226 PolarHBondContact O-N 3.47Å; H224-R227 PolarHBondContact O-N 3.44Å; H224-S228 PolarHBondContact O-N 2.95Å; H224-S228 PolarHBondContact O-OG 2.81Å
225A88.1Confident84Confident52 Ų52113 Ų11343%0.4351%0.512SS..Hα-helixtrans-61.2-42.2177.900000112.4K221 K222 R229K221-A225 WeakPolarHBondContact O-CB 3.26Å; K221-A225 PolarHBondContact O-N 3.48Å; K222-A225 PolarHBondContact O-N 3.24Å; A225-R229 WeakPolarHBondContact O-CG 3.26Å; A225-R229 PolarHBondContact O-N 3.4Å; A225-R229 VanDerWaalsContact O-N 3.14Å
226W88Confident82.1Confident139 Ų139117 Ų11753%0.52754%0.536SS..Hα-helixtrans-64.2-43.8174.9174.983.3000111.9K222 Y223 H224 S228 R229 R230K222-W226 WeakPolarHBondContact O-CB 3.37Å; K222-W226 PolarHBondContact O-N 3.44Å; Y223-W226 HydrophobicContact CD2-CE3 4.42Å; Y223-W226 HydrophobicContact CE2-CE3 4.36Å; Y223-W226 HydrophobicContact CE2-CZ3 4.26Å; Y223-W226 PolarHBondContact O-N 3.48Å; H224-W226 VanDerWaalsContact C-N 3.34Å; H224-W226 PolarHBondContact O-N 3.47Å; W226-S228 PolarHBondContact O-N 3.5Å; W226-R229 PolarHBondContact O-N 3.21Å; W226-R230 VanDerWaalsContact CH2-NH1 3.28Å; W226-R230 WeakPolarHBondContact O-CB 3.2Å; W226-R230 PolarHBondContact O-N 2.89Å
227R88.9Confident80.3Confident130 Ų130121.9 Ų121.949%0.49155%0.554SS.*Hα-helixtrans-63.6-41.3178.3-173176-178-179.30.9112.1Y223 H224 R230 N231Y223-R227 WeakPolarHBondContact O-CB 3.3Å; Y223-R227 PolarHBondContact O-N 3.35Å; H224-R227 PolarHBondContact O-N 3.44Å; R227-R230 PolarHBondContact O-N 3.46Å; R227-N231 WeakPolarHBondContact O-CB 3.43Å; R227-N231 PolarHBondContact O-N 2.96Å
228S87.6Confident78.3Confident67 Ų67122.5 Ų122.547%0.46956%0.559SS.*Hα-helixtrans-62.4-47.4175.9-63.10000111.7H224 W226 R230 N231 E232H224-S228 PolarHBondContact O-N 2.95Å; H224-S228 PolarHBondContact O-OG 2.81Å; W226-S228 PolarHBondContact O-N 3.5Å; S228-R230 VanDerWaalsContact C-N 3.34Å; S228-R230 PolarHBondContact O-N 2.93Å; S228-N231 PolarHBondContact O-N 2.95Å; S228-N231 VanDerWaalsContact O-N 3.13Å; S228-E232 PolarHBondContact O-N 3.28Å
229R83.6Confident76.5Confident176 Ų176128.7 Ų128.766%0.66459%0.594SS**Hα-helixtrans-58.9-44.1175.8-72.4-177.9-176.9-148.70.6112.4A225 W226 N231 E232 E233A225-R229 WeakPolarHBondContact O-CG 3.26Å; A225-R229 PolarHBondContact O-N 3.4Å; A225-R229 VanDerWaalsContact O-N 3.14Å; W226-R229 PolarHBondContact O-N 3.21Å; R229-N231 VanDerWaalsContact C-N 3.28Å; R229-N231 PolarHBondContact O-N 3.08Å; R229-E232 PolarHBondContact O-N 2.94Å; R229-E233 WeakPolarHBondContact O-CG 3.2Å; R229-E233 PolarHBondContact O-N 2.84Å
230R82.7Confident74.8Confident103 Ų103128.5 Ų128.539%0.38960%0.604SS.*Hα-helixtrans-64.5-33.1177.6-167.8179.4-175.6-171.84.2112.6W226 R227 S228 R234W226-R230 VanDerWaalsContact CH2-NH1 3.28Å; W226-R230 WeakPolarHBondContact O-CB 3.2Å; W226-R230 PolarHBondContact O-N 2.89Å; R227-R230 PolarHBondContact O-N 3.46Å; S228-R230 VanDerWaalsContact C-N 3.34Å; S228-R230 PolarHBondContact O-N 2.93Å; R230-R234 VanDerWaalsContact NH2-NH2 3.15Å; R230-R234 WeakPolarHBondContact O-CB 3.46Å; R230-R234 VanDerWaalsContact O-CG 3.23Å; R230-R234 WeakPolarHBondContact O-CG 3.45Å; R230-R234 PolarHBondContact O-N 3.27Å; R230-R234 VanDerWaalsContact O-N 3.16Å
231N78.4Confident72.7Confident85 Ų85136.8 Ų136.846%0.45563%0.631SS.*Hα-helixtrans-72.8-37.2175.1-78.4-7.1000112R227 S228 R229 R234 Q235R227-N231 WeakPolarHBondContact O-CB 3.43Å; R227-N231 PolarHBondContact O-N 2.96Å; S228-N231 PolarHBondContact O-N 2.95Å; S228-N231 VanDerWaalsContact O-N 3.13Å; R229-N231 VanDerWaalsContact C-N 3.28Å; R229-N231 PolarHBondContact O-N 3.08Å; N231-R234 PolarHBondContact O-N 3.15Å; N231-Q235 PolarHBondContact O-N 3.48Å
232E76.4Confident70.4Confident142 Ų142136.8 Ų136.866%0.66464%0.637SS**Hα-helixtrans-63.8-43.7172.4-72.4171.4-173.400111.7S228 R229 R234 Q235S228-E232 PolarHBondContact O-N 3.28Å; R229-E232 PolarHBondContact O-N 2.94Å; E232-R234 PolarHBondContact O-N 2.9Å; E232-Q235 PolarHBondContact O-N 3.48Å
233E73.3Confident68.7Low159 Ų159141.8 Ų141.874%0.74366%0.659SS**Hα-helixtrans-64.9-27.7175.4-73.2171.4-177.300113R229R229-E233 WeakPolarHBondContact O-CG 3.2Å; R229-E233 PolarHBondContact O-N 2.84Å
234R64.1Low66.7Low161 Ų161141 Ų14161%0.60867%0.668SS**Hα-helixtrans-84-15178.1-79.7175.6171.1-167.5-6.7114.1R230 N231 E232 P236R230-R234 VanDerWaalsContact NH2-NH2 3.15Å; R230-R234 WeakPolarHBondContact O-CB 3.46Å; R230-R234 VanDerWaalsContact O-CG 3.23Å; R230-R234 WeakPolarHBondContact O-CG 3.45Å; R230-R234 PolarHBondContact O-N 3.27Å; R230-R234 VanDerWaalsContact O-N 3.16Å; N231-R234 PolarHBondContact O-N 3.15Å; E232-R234 PolarHBondContact O-N 2.9Å; R234-P236 VanDerWaalsContact O-CD 3.31Å; R234-P236 WeakPolarHBondContact O-CD 3.46Å
235Q56.3Low64.5Low155 Ų155148.8 Ų148.872%0.72470%0.704SS**SBendtrans-84.5108.2168.3-77.3-166.8-1000108.5N231 E232 R237N231-Q235 PolarHBondContact O-N 3.48Å; E232-Q235 PolarHBondContact O-N 3.48Å; Q235-R237 PolarHBondContact O-N 2.95Å
236P50.8Low63.3Low105 Ų105153.7 Ų153.768%0.68272%0.718SS**  trans-60.6138.1170.6-0.213.4000107.7R234 H238R234-P236 VanDerWaalsContact O-CD 3.31Å; R234-P236 WeakPolarHBondContact O-CD 3.46Å; P236-H238 PolarHBondContact O-N 3.35Å
237R53.6Low62Low255 Ų255154.4 Ų154.496%0.96273%0.728SS**  trans-59.982.3169.6-74.4-175.5175.7-175.7-0.7109.6Q235 N239Q235-R237 PolarHBondContact O-N 2.95Å; R237-N239 VanDerWaalsContact C-N 3.3Å; R237-N239 PolarHBondContact O-N 3.05Å
238H49.1Very low60.5Low168 Ų168155.8 Ų155.878%0.77874%0.741SS**  trans-93.126.1-179.8-140.1-38000113.2P236P236-H238 PolarHBondContact O-N 3.35Å
239N52.6Low58.9Low176 Ų176161 Ų16194%0.94176%0.757SS**  trans-127.656.3175.5-86-8.2000111.8R237R237-N239 VanDerWaalsContact C-N 3.3Å; R237-N239 PolarHBondContact O-N 3.05Å
240G53.2Low57.4Low68 Ų68160.1 Ų160.170%0.70176%0.763SS**  trans-129.6111.6166.500000110.6
241R46.8Very low55.7Low242 Ų242163.9 Ų163.991%0.91379%0.787SS**  trans87.2105.5170.9-63.8-175.1177-140.4-0.2118.3
242L41.3Very low54.1Low164 Ų164169.5 Ų169.586%0.85981%0.811SS**  -149.2102.2105.2-104.1135.5000109.7
243K51.6Low52.3Low203 Ų203171.6 Ų171.688%0.88382%0.823SS**  trans-101.6124.6148.7-94.2-169.9177-175.10105.7
244T44.6Very low50.6Low109 Ų109172.7 Ų172.767%0.66983%0.829SS**  trans-174.499.3152.326.70000104
245H43.2Very low49.4Very low266 Ų266173.7 Ų173.7100%1.23185%0.849SS**  80.10101.3-96.9-67.7000112.1

Retrieved 245 of 245 residues in 241.2 ms (Link to these results)

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