A0A077ZKB9_TRITR Loading...

CoA binding 3 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZKB9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 86 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
1M74Confident82.5Confident93 Ų9387.2 Ų87.246%0.45847%0.472SS..  0-68.20-162.2179.873.200111.5A3 G4 L5 A24 L25 L28M1-A3 PolarHBondContact O-N 3.27Å; M1-G4 PolarHBondContact O-N 3.11Å; M1-G4 VanDerWaalsContact O-N 3.1Å; M1-L5 HydrophobicContact CG-CD1 4.02Å; M1-L5 WeakPolarHBondContact O-CG 3.47Å; M1-L5 PolarHBondContact O-N 2.8Å; M1-A24 HydrophobicContact SD-CB 4.2Å; M1-L25 HydrophobicContact CE-CD2 3.88Å; M1-L25 HydrophobicContact CE-CG 4.47Å; M1-L28 HydrophobicContact CE-CD2 4.46Å; M1-L28 HydrophobicContact SD-CB 4.16Å; M1-L28 HydrophobicContact SD-CD2 4.05Å; M1-L28 HydrophobicContact SD-CG 4.48Å
2F81.5Confident82.4Confident125 Ų12585.1 Ų85.155%0.54847%0.469SS..Hα-helixtrans-54.5-47.9-177.1-58.7-84.4000114.8G4 L5 W6 L21F2-G4 VanDerWaalsContact C-N 3.31Å; F2-G4 PolarHBondContact O-N 3.31Å; F2-L5 PolarHBondContact O-N 3.1Å; F2-W6 WeakPolarHBondContact O-CB 3.38Å; F2-W6 PolarHBondContact O-N 3.18Å; F2-L21 HydrophobicContact CD1-CD1 3.82Å; F2-L21 HydrophobicContact CE1-CD1 3.36Å; F2-L21 HydrophobicContact CZ-CD1 4.36Å
3A84.6Confident82.3Confident76 Ų7684 Ų8463%0.62849%0.489SS*.Hα-helixtrans-61.3-38.7177.900000112.7M1 W6 L7M1-A3 PolarHBondContact O-N 3.27Å; A3-W6 PolarHBondContact O-N 3.42Å; A3-L7 WeakPolarHBondContact O-CB 3.4Å; A3-L7 PolarHBondContact O-N 3.25Å
4G83.3Confident82.1Confident41 Ų4182.5 Ų82.542%0.42348%0.478SS..Hα-helixtrans-68.1-42.6176.400000112.1M1 F2 W6 L7 V8M1-G4 PolarHBondContact O-N 3.11Å; M1-G4 VanDerWaalsContact O-N 3.1Å; F2-G4 VanDerWaalsContact C-N 3.31Å; F2-G4 PolarHBondContact O-N 3.31Å; G4-W6 VanDerWaalsContact C-N 3.34Å; G4-L7 PolarHBondContact O-N 3.08Å; G4-V8 VanDerWaalsContact O-CG2 3.29Å; G4-V8 WeakPolarHBondContact O-CG2 3.22Å; G4-V8 PolarHBondContact O-N 3.22Å
5L83.1Confident82Confident39 Ų3982.7 Ų82.720%0.20449%0.485CS..Hα-helixtrans-63-42.4174.4-65.8165.7000111.7M1 F2 V8 C9 F16 A24M1-L5 HydrophobicContact CG-CD1 4.02Å; M1-L5 WeakPolarHBondContact O-CG 3.47Å; M1-L5 PolarHBondContact O-N 2.8Å; F2-L5 PolarHBondContact O-N 3.1Å; L5-V8 PolarHBondContact O-N 2.88Å; L5-C9 WeakPolarHBondContact O-CB 3.26Å; L5-C9 PolarHBondContact O-N 3.17Å; L5-C9 PolarHBondContact O-SG 2.89Å; L5-F16 HydrophobicContact CB-CE2 3.84Å; L5-A24 HydrophobicContact CD1-CB 3.28Å; L5-A24 HydrophobicContact CD2-CB 3.67Å; L5-A24 HydrophobicContact CG-CB 4.05Å
6W81.9Confident81.6Confident162 Ų16283.1 Ų83.161%0.61448%0.48SS*.Hα-helixtrans-61.1-46.2176.9176.775.8000111.2F2 A3 G4 V8 C9 E10F2-W6 WeakPolarHBondContact O-CB 3.38Å; F2-W6 PolarHBondContact O-N 3.18Å; A3-W6 PolarHBondContact O-N 3.42Å; G4-W6 VanDerWaalsContact C-N 3.34Å; W6-V8 PolarHBondContact O-N 3.04Å; W6-C9 PolarHBondContact O-N 2.66Å; W6-E10 WeakPolarHBondContact O-CB 3.33Å; W6-E10 PolarHBondContact O-N 3.49Å
7L85.1Confident81.5Confident95 Ų9585.6 Ų85.650%0.49748%0.484SS..Hα-helixtrans-59.6-46.9174.9-172.2161.8000111.3A3 G4 C9 E10 V11A3-L7 WeakPolarHBondContact O-CB 3.4Å; A3-L7 PolarHBondContact O-N 3.25Å; G4-L7 PolarHBondContact O-N 3.08Å; L7-C9 VanDerWaalsContact C-N 3.31Å; L7-C9 PolarHBondContact O-N 2.88Å; L7-E10 PolarHBondContact O-N 2.91Å; L7-V11 HydrophobicContact CD2-CG2 3.85Å; L7-V11 WeakPolarHBondContact O-CB 3.47Å; L7-V11 WeakPolarHBondContact O-CG2 3.4Å; L7-V11 PolarHBondContact O-N 3.04Å
8V82.7Confident81.6Confident87 Ų8789.3 Ų89.353%0.52749%0.49SS..Hα-helixtrans-61.3-40.6177.5170.70000111.3G4 L5 W6 S12G4-V8 VanDerWaalsContact O-CG2 3.29Å; G4-V8 WeakPolarHBondContact O-CG2 3.22Å; G4-V8 PolarHBondContact O-N 3.22Å; L5-V8 PolarHBondContact O-N 2.88Å; W6-V8 PolarHBondContact O-N 3.04Å; V8-S12 VanDerWaalsContact O-CB 3.22Å; V8-S12 WeakPolarHBondContact O-CB 3.28Å; V8-S12 PolarHBondContact O-N 3.14Å; V8-S12 PolarHBondContact O-OG 3.13Å
9C83.4Confident81.7Confident7 Ų787.8 Ų87.85%0.04748%0.48CS..Hα-helixtrans-65.7-42.9176.6-67.60000111.7L5 W6 L7 S12 G13 L14L5-C9 WeakPolarHBondContact O-CB 3.26Å; L5-C9 PolarHBondContact O-N 3.17Å; L5-C9 PolarHBondContact O-SG 2.89Å; W6-C9 PolarHBondContact O-N 2.66Å; L7-C9 VanDerWaalsContact C-N 3.31Å; L7-C9 PolarHBondContact O-N 2.88Å; C9-S12 CarbonylContact O-C 3.55Å; C9-S12 PolarHBondContact O-N 2.67Å; C9-G13 PolarHBondContact O-N 2.96Å; C9-L14 PolarHBondContact O-N 2.86Å
10E83.5Confident81.7Confident125 Ų12586 Ų8658%0.58447%0.468SS*.Hα-helixtrans-64.1-46.5178.9-168.7-106.1169.200111.6W6 L7 S12 G13W6-E10 WeakPolarHBondContact O-CB 3.33Å; W6-E10 PolarHBondContact O-N 3.49Å; L7-E10 PolarHBondContact O-N 2.91Å; E10-S12 VanDerWaalsContact C-N 3.28Å; E10-S12 PolarHBondContact O-N 3.26Å; E10-G13 PolarHBondContact O-N 3.37Å; E10-G13 VanDerWaalsContact O-N 3.13Å
11V84.4Confident81.9Confident109 Ų10984.2 Ų84.266%0.66146%0.458SS*.Hα-helixtrans-63-34.7174.5172.70000112L7 G13L7-V11 HydrophobicContact CD2-CG2 3.85Å; L7-V11 WeakPolarHBondContact O-CB 3.47Å; L7-V11 WeakPolarHBondContact O-CG2 3.4Å; L7-V11 PolarHBondContact O-N 3.04Å; V11-G13 VanDerWaalsContact C-N 3.29Å; V11-G13 PolarHBondContact O-N 2.9Å
12S81.1Confident82.6Confident62 Ų6283.2 Ų83.243%0.43445%0.454SS..THydrogen-bonded Turntrans-82.5-3.6178.9-530000113.5V8 C9 E10 L14V8-S12 VanDerWaalsContact O-CB 3.22Å; V8-S12 WeakPolarHBondContact O-CB 3.28Å; V8-S12 PolarHBondContact O-N 3.14Å; V8-S12 PolarHBondContact O-OG 3.13Å; C9-S12 CarbonylContact O-C 3.55Å; C9-S12 PolarHBondContact O-N 2.67Å; E10-S12 VanDerWaalsContact C-N 3.28Å; E10-S12 PolarHBondContact O-N 3.26Å; S12-L14 PolarHBondContact O-N 3.48Å
13G81.8Confident82.9Confident71 Ų7179.4 Ų79.473%0.73244%0.441SS*.THydrogen-bonded Turntrans63.320.9-173.900000114C9 E10 V11C9-G13 PolarHBondContact O-N 2.96Å; E10-G13 PolarHBondContact O-N 3.37Å; E10-G13 VanDerWaalsContact O-N 3.13Å; V11-G13 VanDerWaalsContact C-N 3.29Å; V11-G13 PolarHBondContact O-N 2.9Å
14L79.6Confident83.1Confident63 Ų6376.3 Ų76.333%0.3342%0.415SS..  trans-96.9138.2-178.6-66.2173.4000110.4C9 S12 F16C9-L14 PolarHBondContact O-N 2.86Å; S12-L14 PolarHBondContact O-N 3.48Å; L14-F16 PolarHBondContact O-N 3.26Å
15S79.3Confident83.5Confident85 Ų8577.6 Ų77.659%0.59441%0.412SS*.  trans-69132.1170.9-660000110.2F17S15-F17 WeakPolarHBondContact O-CD2 3.21Å; S15-F17 PolarHBondContact O-N 3.06Å
16F76.3Confident83.8Confident90 Ų9078 Ų7840%0.39541%0.414SS..  trans-66.496.4177.1-171.4-92.2000110.5L5 L14 L21L5-F16 HydrophobicContact CB-CE2 3.84Å; L14-F16 PolarHBondContact O-N 3.26Å; F16-L21 HydrophobicContact CE1-CB 4.46Å; F16-L21 HydrophobicContact CZ-CB 4.22Å; F16-L21 HydrophobicContact CZ-CD1 4.29Å
17F80.1Confident84.3Confident126 Ų12670.8 Ų70.855%0.55339%0.388SS*.  trans-102161.2178.5-89.4-78.4000112.8S15 M19 H20 L21S15-F17 WeakPolarHBondContact O-CD2 3.21Å; S15-F17 PolarHBondContact O-N 3.06Å; F17-M19 PolarHBondContact O-N 3.22Å; F17-M19 VanDerWaalsContact O-N 3.11Å; F17-H20 PolarHBondContact O-N 3.41Å; F17-H20 VanDerWaalsContact O-N 3.11Å; F17-L21 PolarHBondContact O-N 2.99Å
18Y82.5Confident84.6Confident151 Ų15168.9 Ų68.959%0.59238%0.378SS*.Hα-helixtrans-55.9-29.117875.8-89.9000113.1L21 L22Y18-L21 PolarHBondContact O-N 3.08Å; Y18-L22 VanDerWaalsContact O-CB 3.28Å; Y18-L22 WeakPolarHBondContact O-CB 3.32Å; Y18-L22 PolarHBondContact O-N 3.2Å
19M83.7Confident85.2Confident61 Ų6167.9 Ų67.930%0.337%0.372SS..Hα-helixtrans-61.1-46.6177-66173.3169.400111.9F17 L21 L22 V23 D76 F77F17-M19 PolarHBondContact O-N 3.22Å; F17-M19 VanDerWaalsContact O-N 3.11Å; M19-L21 VanDerWaalsContact C-N 3.31Å; M19-L21 PolarHBondContact O-N 3.02Å; M19-L22 PolarHBondContact O-N 3.44Å; M19-V23 WeakPolarHBondContact O-CG2 3.27Å; M19-V23 PolarHBondContact O-N 2.93Å; M19-D76 HydrophobicContact CE-CB 4.34Å; M19-D76 WeakPolarHBondContact CE-O 3.29Å; M19-F77 HydrophobicContact CB-CD1 4.39Å; M19-F77 HydrophobicContact CB-CE1 4.46Å
20H81.9Confident85.7Confident52 Ų5268.2 Ų68.224%0.24137%0.374CS..Hα-helixtrans-62.6-41.5177.2-60.188.6000111.2F17 L22 A24F17-H20 PolarHBondContact O-N 3.41Å; F17-H20 VanDerWaalsContact O-N 3.11Å; H20-L22 VanDerWaalsContact C-N 3.35Å; H20-A24 WeakPolarHBondContact O-CB 3.38Å; H20-A24 PolarHBondContact O-N 2.87Å
21L85.9Confident86.1Confident48 Ų4864.4 Ų64.425%0.25136%0.355SS..Hα-helixtrans-62.9-43.8175.8-179.967000111.2F2 F16 F17 Y18 M19 A24 L25F2-L21 HydrophobicContact CD1-CD1 3.82Å; F2-L21 HydrophobicContact CE1-CD1 3.36Å; F2-L21 HydrophobicContact CZ-CD1 4.36Å; F16-L21 HydrophobicContact CE1-CB 4.46Å; F16-L21 HydrophobicContact CZ-CB 4.22Å; F16-L21 HydrophobicContact CZ-CD1 4.29Å; F17-L21 PolarHBondContact O-N 2.99Å; Y18-L21 PolarHBondContact O-N 3.08Å; M19-L21 VanDerWaalsContact C-N 3.31Å; M19-L21 PolarHBondContact O-N 3.02Å; L21-A24 WeakPolarHBondContact O-CB 3.29Å; L21-A24 PolarHBondContact O-N 3.4Å; L21-L25 HydrophobicContact CD1-CD1 4.42Å; L21-L25 HydrophobicContact CD1-CG 4.44Å; L21-L25 HydrophobicContact CG-CD1 4.01Å; L21-L25 HydrophobicContact CG-CG 4.44Å; L21-L25 VanDerWaalsContact O-CG 3.29Å; L21-L25 WeakPolarHBondContact O-CG 3.39Å; L21-L25 PolarHBondContact O-N 2.91Å
22L88.5Confident86.5Confident73 Ų7364.8 Ų64.838%0.38235%0.35SS..Hα-helixtrans-64.5-44.3-179.6-176.358.3000111.5Y18 M19 H20 A24 L25 I26 F77Y18-L22 VanDerWaalsContact O-CB 3.28Å; Y18-L22 WeakPolarHBondContact O-CB 3.32Å; Y18-L22 PolarHBondContact O-N 3.2Å; M19-L22 PolarHBondContact O-N 3.44Å; H20-L22 VanDerWaalsContact C-N 3.35Å; L22-A24 VanDerWaalsContact C-N 3.29Å; L22-A24 PolarHBondContact O-N 3.43Å; L22-L25 PolarHBondContact O-N 2.94Å; L22-I26 HydrophobicContact CD1-CD1 4.35Å; L22-I26 HydrophobicContact CD1-CG1 4.47Å; L22-I26 HydrophobicContact CG-CD1 4.06Å; L22-I26 VanDerWaalsContact O-CG1 3.27Å; L22-I26 WeakPolarHBondContact O-CG1 3.49Å; L22-I26 PolarHBondContact O-N 3.11Å; L22-F77 HydrophobicContact CB-CE1 4.39Å; L22-F77 HydrophobicContact CD2-CE1 4.01Å; L22-F77 HydrophobicContact CD2-CZ 3.58Å; L22-F77 HydrophobicContact CG-CE1 4.29Å; L22-F77 HydrophobicContact CG-CZ 4.15Å
23V87.6Confident87Confident45 Ų4567.9 Ų67.927%0.27336%0.359SS..Hα-helixtrans-59.2-42.5174173.40000111M19 I26 T27 V71 F77M19-V23 WeakPolarHBondContact O-CG2 3.27Å; M19-V23 PolarHBondContact O-N 2.93Å; V23-I26 PolarHBondContact O-N 3.11Å; V23-T27 WeakPolarHBondContact O-CB 3.33Å; V23-T27 PolarHBondContact O-N 3.41Å; V23-T27 PolarHBondContact O-OG1 2.95Å; V23-V71 HydrophobicContact CG2-CG1 4.3Å; V23-V71 HydrophobicContact CG2-CG2 4.26Å; V23-F77 HydrophobicContact CG2-CD1 3.53Å; V23-F77 HydrophobicContact CG2-CE1 3.73Å
24A88.6Confident87.4Confident11 Ų1167.7 Ų67.79%0.09134%0.341CS..Hα-helixtrans-65.4-40.7177.500000112.7M1 L5 H20 L21 L22 T27 L28M1-A24 HydrophobicContact SD-CB 4.2Å; L5-A24 HydrophobicContact CD1-CB 3.28Å; L5-A24 HydrophobicContact CD2-CB 3.67Å; L5-A24 HydrophobicContact CG-CB 4.05Å; H20-A24 WeakPolarHBondContact O-CB 3.38Å; H20-A24 PolarHBondContact O-N 2.87Å; L21-A24 WeakPolarHBondContact O-CB 3.29Å; L21-A24 PolarHBondContact O-N 3.4Å; L22-A24 VanDerWaalsContact C-N 3.29Å; L22-A24 PolarHBondContact O-N 3.43Å; A24-T27 PolarHBondContact O-N 2.92Å; A24-L28 WeakPolarHBondContact O-CB 3.32Å; A24-L28 PolarHBondContact O-N 2.94Å
25L92.3Very high87.7Confident68 Ų6864.8 Ų64.836%0.35633%0.326SS..Hα-helixtrans-65.9-42.9175.8-71.4170.8000111.7M1 L21 L22 T27 L28 V29M1-L25 HydrophobicContact CE-CD2 3.88Å; M1-L25 HydrophobicContact CE-CG 4.47Å; L21-L25 HydrophobicContact CD1-CD1 4.42Å; L21-L25 HydrophobicContact CD1-CG 4.44Å; L21-L25 HydrophobicContact CG-CD1 4.01Å; L21-L25 HydrophobicContact CG-CG 4.44Å; L21-L25 VanDerWaalsContact O-CG 3.29Å; L21-L25 WeakPolarHBondContact O-CG 3.39Å; L21-L25 PolarHBondContact O-N 2.91Å; L22-L25 PolarHBondContact O-N 2.94Å; L25-T27 VanDerWaalsContact C-N 3.32Å; L25-T27 PolarHBondContact O-N 3.49Å; L25-L28 WeakPolarHBondContact O-CB 3.43Å; L25-L28 PolarHBondContact O-N 3.46Å; L25-V29 WeakPolarHBondContact O-CG2 3.39Å; L25-V29 PolarHBondContact O-N 3.24Å
26I90.5Very high87.9Confident48 Ų4862.6 Ų62.625%0.24632%0.317CS..Hα-helixtrans-58.7-48174.3-69.2164.4000109.8L22 V23 L28 V29 V30 L70 V71L22-I26 HydrophobicContact CD1-CD1 4.35Å; L22-I26 HydrophobicContact CD1-CG1 4.47Å; L22-I26 HydrophobicContact CG-CD1 4.06Å; L22-I26 VanDerWaalsContact O-CG1 3.27Å; L22-I26 WeakPolarHBondContact O-CG1 3.49Å; L22-I26 PolarHBondContact O-N 3.11Å; V23-I26 PolarHBondContact O-N 3.11Å; I26-L28 VanDerWaalsContact C-N 3.28Å; I26-L28 PolarHBondContact O-N 3.23Å; I26-V29 PolarHBondContact O-N 3.34Å; I26-V30 HydrophobicContact CG2-CG2 4.46Å; I26-V30 WeakPolarHBondContact O-CG2 3.42Å; I26-V30 PolarHBondContact O-N 3.11Å; I26-L70 HydrophobicContact CG2-CD1 4.41Å; I26-V71 HydrophobicContact CD1-CG2 4.35Å
27T91.4Very high88.2Confident10 Ų1064.2 Ų64.26%0.06133%0.329CS..Hα-helixtrans-61.4-39178.9-51.80000111.4V23 A24 L25 F31 W60 V64 S67V23-T27 WeakPolarHBondContact O-CB 3.33Å; V23-T27 PolarHBondContact O-N 3.41Å; V23-T27 PolarHBondContact O-OG1 2.95Å; A24-T27 PolarHBondContact O-N 2.92Å; L25-T27 VanDerWaalsContact C-N 3.32Å; L25-T27 PolarHBondContact O-N 3.49Å; T27-F31 VanDerWaalsContact O-CB 3.3Å; T27-F31 WeakPolarHBondContact O-CB 3.2Å; T27-F31 PolarHBondContact O-N 3.39Å; T27-W60 HydrophobicContact CG2-CH2 4.31Å; T27-W60 HydrophobicContact CG2-CZ3 4.4Å; T27-V64 HydrophobicContact CG2-CG2 3.88Å; T27-S67 WeakPolarHBondContact OG1-CB 3.31Å; T27-S67 PolarHBondContact OG1-OG 3Å
28L92.6Very high88.3Confident55 Ų5560.7 Ų60.729%0.28832%0.317SS..Hα-helixtrans-64.5-43.3174.8-175.771.2000112M1 A24 L25 I26 F31 Q32M1-L28 HydrophobicContact CE-CD2 4.46Å; M1-L28 HydrophobicContact SD-CB 4.16Å; M1-L28 HydrophobicContact SD-CD2 4.05Å; M1-L28 HydrophobicContact SD-CG 4.48Å; A24-L28 WeakPolarHBondContact O-CB 3.32Å; A24-L28 PolarHBondContact O-N 2.94Å; L25-L28 WeakPolarHBondContact O-CB 3.43Å; L25-L28 PolarHBondContact O-N 3.46Å; I26-L28 VanDerWaalsContact C-N 3.28Å; I26-L28 PolarHBondContact O-N 3.23Å; L28-F31 WeakPolarHBondContact O-CB 3.35Å; L28-F31 PolarHBondContact O-N 3.04Å; L28-Q32 WeakPolarHBondContact O-CB 3.43Å; L28-Q32 VanDerWaalsContact O-CG 3.3Å; L28-Q32 WeakPolarHBondContact O-CG 3.29Å; L28-Q32 PolarHBondContact O-N 2.92Å
29V94.8Very high88.3Confident66 Ų6657 Ų5740%0.431%0.307SS..Hα-helixtrans-63-46.6177.9169.70000110.5L25 I26 F31 Q32 M33L25-V29 WeakPolarHBondContact O-CG2 3.39Å; L25-V29 PolarHBondContact O-N 3.24Å; I26-V29 PolarHBondContact O-N 3.34Å; V29-F31 VanDerWaalsContact C-N 3.3Å; V29-F31 PolarHBondContact O-N 3.38Å; V29-Q32 PolarHBondContact O-N 3.1Å; V29-M33 HydrophobicContact CG1-CE 3.7Å; V29-M33 HydrophobicContact CG1-SD 4.17Å; V29-M33 WeakPolarHBondContact O-CG 3.44Å; V29-M33 PolarHBondContact O-N 3.36Å
30V93Very high88.1Confident14 Ų1461.5 Ų61.59%0.08533%0.326CS..Hα-helixtrans-59.4-44.2175.4174.70000110.5I26 Q32 M33 L34 F66 L70I26-V30 HydrophobicContact CG2-CG2 4.46Å; I26-V30 WeakPolarHBondContact O-CG2 3.42Å; I26-V30 PolarHBondContact O-N 3.11Å; V30-Q32 VanDerWaalsContact C-N 3.35Å; V30-Q32 PolarHBondContact O-N 2.88Å; V30-M33 PolarHBondContact O-N 2.91Å; V30-L34 HydrophobicContact CG1-CD1 3.86Å; V30-L34 HydrophobicContact CG1-CG 4.31Å; V30-L34 WeakPolarHBondContact O-CG 3.46Å; V30-L34 PolarHBondContact O-N 3.02Å; V30-F66 HydrophobicContact CG1-CB 4.2Å; V30-F66 HydrophobicContact CG1-CD1 3.75Å; V30-F66 HydrophobicContact CG1-CG 4.34Å; V30-F66 HydrophobicContact CG2-CD1 3.96Å; V30-F66 HydrophobicContact CG2-CE1 4.46Å; V30-L70 HydrophobicContact CG2-CD1 4.32Å
31F93Very high87.9Confident44 Ų4465.3 Ų65.319%0.19334%0.339CS..Hα-helixtrans-61.4-41176.5-179.2-98.2000112.9T27 L28 V29 G35 L56 N59 W60 S63T27-F31 VanDerWaalsContact O-CB 3.3Å; T27-F31 WeakPolarHBondContact O-CB 3.2Å; T27-F31 PolarHBondContact O-N 3.39Å; L28-F31 WeakPolarHBondContact O-CB 3.35Å; L28-F31 PolarHBondContact O-N 3.04Å; V29-F31 VanDerWaalsContact C-N 3.3Å; V29-F31 PolarHBondContact O-N 3.38Å; F31-G35 VanDerWaalsContact O-CA 3.23Å; F31-G35 WeakPolarHBondContact O-CA 3.28Å; F31-G35 PolarHBondContact O-N 3.43Å; F31-L56 HydrophobicContact CZ-CD2 3.94Å; F31-N59 HydrophobicContact CD2-CB 4.1Å; F31-N59 HydrophobicContact CE2-CB 3.72Å; F31-W60 HydrophobicContact CD2-CB 4.28Å; F31-W60 AromaticContact CD2-CE3 3.94Å; F31-W60 HydrophobicContact CD2-CE3 3.94Å; F31-W60 HydrophobicContact CE2-CB 4.02Å; F31-W60 HydrophobicContact CE2-CE3 4.33Å; F31-W60 HydrophobicContact CG-CE3 4.18Å; F31-S63 WeakPolarHBondContact CA-OG 3.35Å; F31-S63 WeakPolarHBondContact CB-OG 3.43Å; F31-S63 PolarHBondContact N-OG 2.82Å
32Q91.5Very high87.6Confident117 Ų11764.6 Ų64.655%0.54733%0.333SS..Hα-helixtrans-68.6-36176.6-74174.5-14.800112.3L28 V29 V30 G36L28-Q32 WeakPolarHBondContact O-CB 3.43Å; L28-Q32 VanDerWaalsContact O-CG 3.3Å; L28-Q32 WeakPolarHBondContact O-CG 3.29Å; L28-Q32 PolarHBondContact O-N 2.92Å; V29-Q32 PolarHBondContact O-N 3.1Å; V30-Q32 VanDerWaalsContact C-N 3.35Å; V30-Q32 PolarHBondContact O-N 2.88Å; Q32-G36 VanDerWaalsContact O-CA 3.31Å; Q32-G36 WeakPolarHBondContact O-CA 3.29Å; Q32-G36 PolarHBondContact O-N 3.06Å
33M92.2Very high87.3Confident128 Ų12865.5 Ų65.563%0.63135%0.345SS*.Hα-helixtrans-69.3-49.8177-70.8-179.3175.900111.5V29 V30 I37V29-M33 HydrophobicContact CG1-CE 3.7Å; V29-M33 HydrophobicContact CG1-SD 4.17Å; V29-M33 WeakPolarHBondContact O-CG 3.44Å; V29-M33 PolarHBondContact O-N 3.36Å; V30-M33 PolarHBondContact O-N 2.91Å; M33-I37 WeakPolarHBondContact O-CD1 3.38Å; M33-I37 WeakPolarHBondContact O-CG1 3.46Å; M33-I37 PolarHBondContact O-N 2.74Å
34L89.1Confident86.9Confident66 Ų6673.5 Ų73.535%0.34637%0.371SS..Hα-helixtrans-66.8-49.3177.7-66.4178000111.1V30 I37 T38 L62V30-L34 HydrophobicContact CG1-CD1 3.86Å; V30-L34 HydrophobicContact CG1-CG 4.31Å; V30-L34 WeakPolarHBondContact O-CG 3.46Å; V30-L34 PolarHBondContact O-N 3.02Å; L34-I37 PolarHBondContact O-N 3.43Å; L34-T38 PolarHBondContact O-N 2.85Å; L34-T38 PolarHBondContact O-OG1 2.83Å; L34-L62 HydrophobicContact CD1-CB 4.37Å
35G86Confident86.6Confident3 Ų380.8 Ų80.83%0.03140%0.396CS..Hα-helixtrans-59.6-47.5178.100000112.2F31 I37 T38 D39F31-G35 VanDerWaalsContact O-CA 3.23Å; F31-G35 WeakPolarHBondContact O-CA 3.28Å; F31-G35 PolarHBondContact O-N 3.43Å; G35-I37 VanDerWaalsContact C-N 3.32Å; G35-I37 PolarHBondContact O-N 2.93Å; G35-T38 WeakPolarHBondContact CA-OG1 3.35Å; G35-T38 CarbonylContact O-C 3.57Å; G35-T38 PolarHBondContact O-N 3.22Å; G35-T38 PolarHBondContact O-OG1 3.33Å; G35-D39 WeakPolarHBondContact O-CB 3.5Å; G35-D39 PolarHBondContact O-N 2.82Å
36G85.2Confident86.1Confident38 Ų3880 Ų8039%0.39241%0.405SS..Hα-helixtrans-59.7-38.7-18000000113.4Q32 F40Q32-G36 VanDerWaalsContact O-CA 3.31Å; Q32-G36 WeakPolarHBondContact O-CA 3.29Å; Q32-G36 PolarHBondContact O-N 3.06Å; G36-F40 VanDerWaalsContact O-CB 3.29Å; G36-F40 WeakPolarHBondContact O-CB 3.28Å; G36-F40 PolarHBondContact O-N 2.95Å
37I81.9Confident85.8Confident125 Ų12580.4 Ų80.464%0.64141%0.409SS*.Hα-helixtrans-65.2-45.8174-66.1167.4000110.3M33 L34 G35 Y41M33-I37 WeakPolarHBondContact O-CD1 3.38Å; M33-I37 WeakPolarHBondContact O-CG1 3.46Å; M33-I37 PolarHBondContact O-N 2.74Å; L34-I37 PolarHBondContact O-N 3.43Å; G35-I37 VanDerWaalsContact C-N 3.32Å; G35-I37 PolarHBondContact O-N 2.93Å; I37-Y41 PolarHBondContact O-N 3.38Å
38T82.4Confident85.6Confident51 Ų5190.1 Ų90.131%0.31345%0.445SS..Hα-helixtrans-67.2-40.4179.956.30000112.6L34 G35 Y41 R42 N59L34-T38 PolarHBondContact O-N 2.85Å; L34-T38 PolarHBondContact O-OG1 2.83Å; G35-T38 WeakPolarHBondContact CA-OG1 3.35Å; G35-T38 CarbonylContact O-C 3.57Å; G35-T38 PolarHBondContact O-N 3.22Å; G35-T38 PolarHBondContact O-OG1 3.33Å; T38-Y41 PolarHBondContact O-N 2.98Å; T38-R42 VanDerWaalsContact O-CB 3.29Å; T38-R42 WeakPolarHBondContact O-CB 3.3Å; T38-R42 PolarHBondContact O-N 3.4Å; T38-N59 PolarHBondContact OG1-ND2 3.06Å
39D82.3Confident85Confident73 Ų7390.3 Ų90.339%0.3945%0.454SS..Hα-helixtrans-70.2-37.4179.9-79.4-22.4000111.3G35 Y41 R42 S43G35-D39 WeakPolarHBondContact O-CB 3.5Å; G35-D39 PolarHBondContact O-N 2.82Å; D39-Y41 PolarHBondContact O-N 3.45Å; D39-R42 PolarHBondContact O-N 2.63Å; D39-S43 VanDerWaalsContact O-CB 3.24Å; D39-S43 WeakPolarHBondContact O-CB 3.27Å; D39-S43 PolarHBondContact O-N 3.26Å; D39-S43 PolarHBondContact O-OG 2.89Å
40F80.1Confident84.7Confident156 Ų15690.8 Ų90.868%0.68447%0.465SS*.Hα-helixtrans-56.4-51.6172.7-179.3-101.4000111.1G36 R42 S43G36-F40 VanDerWaalsContact O-CB 3.29Å; G36-F40 WeakPolarHBondContact O-CB 3.28Å; G36-F40 PolarHBondContact O-N 2.95Å; F40-R42 PolarHBondContact O-N 3.26Å; F40-S43 PolarHBondContact O-N 2.84Å; F40-S43 PolarHBondContact O-OG 3.47Å
41Y77Confident84.4Confident132 Ų13293.1 Ų93.152%0.51848%0.479SS..Hα-helixtrans-61.1-35.9179.1-177.6-120.9000112.7I37 T38 D39 R45I37-Y41 PolarHBondContact O-N 3.38Å; T38-Y41 PolarHBondContact O-N 2.98Å; D39-Y41 PolarHBondContact O-N 3.45Å; Y41-R45 PolarHBondContact OH-NH2 2.92Å
42R80.2Confident84.2Confident34 Ų3494 Ų9413%0.12848%0.484CS..Hα-helixtrans-83.5-34.7-174.3-149.6-17563.466.312.7112.9T38 D39 F40 W44 R45 G46 V47 E52T38-R42 VanDerWaalsContact O-CB 3.29Å; T38-R42 WeakPolarHBondContact O-CB 3.3Å; T38-R42 PolarHBondContact O-N 3.4Å; D39-R42 PolarHBondContact O-N 2.63Å; F40-R42 PolarHBondContact O-N 3.26Å; R42-W44 PolarHBondContact O-N 3.34Å; R42-R45 PolarHBondContact O-N 3.16Å; R42-R45 VanDerWaalsContact O-N 3.14Å; R42-G46 PolarHBondContact O-N 3.37Å; R42-V47 HydrophobicContact CG-CB 3.62Å; R42-V47 HydrophobicContact CG-CG1 4.22Å; R42-V47 HydrophobicContact CG-CG2 3.6Å; R42-V47 PolarHBondContact NH1-O 2.89Å; R42-E52 IonicContact CZ-OE1 3.03Å; R42-E52 IonicContact CZ-OE2 3.95Å; R42-E52 IonicContact NH1-OE1 2.62Å; R42-E52 PolarHBondContact NH1-OE1 2.93Å; R42-E52 IonicContact NH2-OE1 2.72Å; R42-E52 PolarHBondContact NH2-OE1 3.3Å; R42-E52 IonicContact NH2-OE2 3.23Å; R42-E52 PolarHBondContact NH2-OE2 3.39Å
43S82.6Confident83.9Confident91 Ų9195 Ų9564%0.63649%0.487SS*.Hα-helixtrans-57.7-30.9173.970.50000111.9D39 F40D39-S43 VanDerWaalsContact O-CB 3.24Å; D39-S43 WeakPolarHBondContact O-CB 3.27Å; D39-S43 PolarHBondContact O-N 3.26Å; D39-S43 PolarHBondContact O-OG 2.89Å; F40-S43 PolarHBondContact O-N 2.84Å; F40-S43 PolarHBondContact O-OG 3.47Å
44W79Confident83.9Confident213 Ų21391.7 Ų91.781%0.80748%0.48SS*.Hα-helixtrans-78.2-35177.3-174.119.7000113.5R42R42-W44 PolarHBondContact O-N 3.34Å
45R82.3Confident83.8Confident164 Ų16491.5 Ų91.562%0.61948%0.479SS*.Hα-helixtrans-92.2-23.9-179.6-92-162.2-63.4158.34.7115.3Y41 R42Y41-R45 PolarHBondContact OH-NH2 2.92Å; R42-R45 PolarHBondContact O-N 3.16Å; R42-R45 VanDerWaalsContact O-N 3.14Å
46G80.4Confident84Confident53 Ų5394.4 Ų94.455%0.54649%0.493SS..  trans68.3132.1-167.200000111.3R42R42-G46 PolarHBondContact O-N 3.37Å
47V84.5Confident84.2Confident55 Ų5598.3 Ų98.333%0.33350%0.504SS..  trans-144.3153.3179.9154.40000108.6R42 T51R42-V47 HydrophobicContact CG-CB 3.62Å; R42-V47 HydrophobicContact CG-CG1 4.22Å; R42-V47 HydrophobicContact CG-CG2 3.6Å; R42-V47 PolarHBondContact NH1-O 2.89Å; V47-T51 WeakPolarHBondContact CG1-OG1 3.1Å
48R86.7Confident84.7Confident214 Ų21497.2 Ų97.281%0.80850%0.497SS*.  trans-65.6145.2-176.1-59.4179.4179.8-165.8-0.8111.3A50 T51 E52R48-A50 VanDerWaalsContact C-N 3.29Å; R48-A50 PolarHBondContact O-N 3.22Å; R48-T51 PolarHBondContact N-OG1 3.47Å; R48-T51 PolarHBondContact O-N 2.91Å; R48-T51 PolarHBondContact O-OG1 2.93Å; R48-E52 WeakPolarHBondContact O-CG 3.42Å; R48-E52 PolarHBondContact O-N 3.17Å; R48-E52 VanDerWaalsContact O-N 3.14Å
49A81.4Confident85.1Confident59 Ų5995.3 Ų95.349%0.48849%0.485SS..Hα-helixtrans-52.8-41179.100000113.9T51 E52 F53A49-T51 VanDerWaalsContact C-N 3.32Å; A49-T51 PolarHBondContact O-N 3.4Å; A49-E52 WeakPolarHBondContact O-CA 3.43Å; A49-E52 VanDerWaalsContact O-CB 3.29Å; A49-E52 WeakPolarHBondContact O-CB 3.31Å; A49-E52 PolarHBondContact O-N 2.88Å; A49-F53 HydrophobicContact CB-CE2 4.39Å; A49-F53 WeakPolarHBondContact O-CD2 3.3Å; A49-F53 PolarHBondContact O-N 3Å
50A88.5Confident85.6Confident76 Ų7697.6 Ų97.663%0.62849%0.488SS*.Hα-helixtrans-59.5-41.9178.900000112.8R48 E52 F53 A54R48-A50 VanDerWaalsContact C-N 3.29Å; R48-A50 PolarHBondContact O-N 3.22Å; A50-E52 VanDerWaalsContact C-N 3.31Å; A50-F53 PolarHBondContact O-N 3.41Å; A50-A54 PolarHBondContact O-N 3.25Å
51T86.8Confident86.1Confident63 Ų6393.6 Ų93.639%0.38748%0.476SS..Hα-helixtrans-69.5-28.8174.334.40000112.2V47 R48 A49 L55V47-T51 WeakPolarHBondContact CG1-OG1 3.1Å; R48-T51 PolarHBondContact N-OG1 3.47Å; R48-T51 PolarHBondContact O-N 2.91Å; R48-T51 PolarHBondContact O-OG1 2.93Å; A49-T51 VanDerWaalsContact C-N 3.32Å; A49-T51 PolarHBondContact O-N 3.4Å; T51-L55 WeakPolarHBondContact O-CB 3.33Å; T51-L55 WeakPolarHBondContact O-CD1 3.49Å; T51-L55 WeakPolarHBondContact O-CG 3.45Å; T51-L55 PolarHBondContact O-N 2.88Å; T51-L55 VanDerWaalsContact O-N 3.09Å
52E87.6Confident86.9Confident64 Ų6491.1 Ų91.130%0.29947%0.472SS..Hα-helixtrans-64.7-48.7172.3-49.3-169175.400111.3R42 R48 A49 A50 A54 L55 L56R42-E52 IonicContact CZ-OE1 3.03Å; R42-E52 IonicContact CZ-OE2 3.95Å; R42-E52 IonicContact NH1-OE1 2.62Å; R42-E52 PolarHBondContact NH1-OE1 2.93Å; R42-E52 IonicContact NH2-OE1 2.72Å; R42-E52 PolarHBondContact NH2-OE1 3.3Å; R42-E52 IonicContact NH2-OE2 3.23Å; R42-E52 PolarHBondContact NH2-OE2 3.39Å; R48-E52 WeakPolarHBondContact O-CG 3.42Å; R48-E52 PolarHBondContact O-N 3.17Å; R48-E52 VanDerWaalsContact O-N 3.14Å; A49-E52 WeakPolarHBondContact O-CA 3.43Å; A49-E52 VanDerWaalsContact O-CB 3.29Å; A49-E52 WeakPolarHBondContact O-CB 3.31Å; A49-E52 PolarHBondContact O-N 2.88Å; A50-E52 VanDerWaalsContact C-N 3.31Å; E52-A54 VanDerWaalsContact C-N 3.32Å; E52-A54 PolarHBondContact O-N 2.98Å; E52-L55 PolarHBondContact O-N 3.1Å; E52-L55 VanDerWaalsContact O-N 3.17Å; E52-L56 VanDerWaalsContact O-CG 3.31Å; E52-L56 WeakPolarHBondContact O-CG 3.28Å; E52-L56 PolarHBondContact O-N 3.36Å
53F86.1Confident87.5Confident138 Ų13889.5 Ų89.561%0.60547%0.466SS*.Hα-helixtrans-60.7-41.5179.4-71.9-63.6000112.4A49 A50 L56 L57A49-F53 HydrophobicContact CB-CE2 4.39Å; A49-F53 WeakPolarHBondContact O-CD2 3.3Å; A49-F53 PolarHBondContact O-N 3Å; A50-F53 PolarHBondContact O-N 3.41Å; F53-L56 PolarHBondContact O-N 2.75Å; F53-L57 PolarHBondContact O-N 2.92Å
54A90.7Very high87.9Confident58 Ų5887.9 Ų87.948%0.47945%0.452SS..Hα-helixtrans-61.5-43.3175.600000112A50 E52 L57 Q58A50-A54 PolarHBondContact O-N 3.25Å; E52-A54 VanDerWaalsContact C-N 3.32Å; E52-A54 PolarHBondContact O-N 2.98Å; A54-L57 PolarHBondContact O-N 3.35Å; A54-Q58 WeakPolarHBondContact O-CB 3.4Å; A54-Q58 PolarHBondContact O-N 3.45Å
55L88Confident88.4Confident61 Ų6183.4 Ų83.432%0.31944%0.442SS..Hα-helixtrans-69-38.3177.9-71.1169.7000112.4T51 E52 L57 Q58 N59T51-L55 WeakPolarHBondContact O-CB 3.33Å; T51-L55 WeakPolarHBondContact O-CD1 3.49Å; T51-L55 WeakPolarHBondContact O-CG 3.45Å; T51-L55 PolarHBondContact O-N 2.88Å; T51-L55 VanDerWaalsContact O-N 3.09Å; E52-L55 PolarHBondContact O-N 3.1Å; E52-L55 VanDerWaalsContact O-N 3.17Å; L55-L57 VanDerWaalsContact C-N 3.34Å; L55-Q58 PolarHBondContact O-N 2.91Å; L55-N59 WeakPolarHBondContact O-CB 3.34Å; L55-N59 VanDerWaalsContact O-CG 3.29Å; L55-N59 PolarHBondContact O-N 2.84Å
56L89.2Confident88.8Confident65 Ų6581.4 Ų81.434%0.3444%0.438SS..Hα-helixtrans-62.1-43.3174.8-71.9170.8000111.1F31 E52 F53 N59 W60F31-L56 HydrophobicContact CZ-CD2 3.94Å; E52-L56 VanDerWaalsContact O-CG 3.31Å; E52-L56 WeakPolarHBondContact O-CG 3.28Å; E52-L56 PolarHBondContact O-N 3.36Å; F53-L56 PolarHBondContact O-N 2.75Å; L56-N59 PolarHBondContact O-N 3.42Å; L56-W60 VanDerWaalsContact O-CB 3.28Å; L56-W60 WeakPolarHBondContact O-CB 3.43Å; L56-W60 PolarHBondContact O-N 3.29Å
57L89.9Confident89.2Confident119 Ų11979 Ų7962%0.62341%0.413SS*.Hα-helixtrans-62.4-42.6173.9-79.3170.3000111.7F53 A54 L55 W60 T61F53-L57 PolarHBondContact O-N 2.92Å; A54-L57 PolarHBondContact O-N 3.35Å; L55-L57 VanDerWaalsContact C-N 3.34Å; L57-W60 PolarHBondContact O-N 3.25Å; L57-T61 WeakPolarHBondContact O-CG2 3.23Å; L57-T61 PolarHBondContact O-N 3.43Å; L57-T61 PolarHBondContact O-OG1 3.17Å
58Q92.6Very high89.3Confident103 Ų10379.1 Ų79.148%0.48142%0.42SS..Hα-helixtrans-63.6-45.6176.2-175.8-179.79.500112.2A54 L55 W60 T61 L62A54-Q58 WeakPolarHBondContact O-CB 3.4Å; A54-Q58 PolarHBondContact O-N 3.45Å; L55-Q58 PolarHBondContact O-N 2.91Å; Q58-W60 VanDerWaalsContact C-N 3.26Å; Q58-W60 PolarHBondContact O-N 3.21Å; Q58-T61 PolarHBondContact O-N 2.78Å; Q58-T61 PolarHBondContact O-OG1 3.44Å; Q58-L62 HydrophobicContact CG-CD1 4.14Å; Q58-L62 WeakPolarHBondContact O-CB 3.48Å; Q58-L62 VanDerWaalsContact O-CG 3.28Å; Q58-L62 WeakPolarHBondContact O-CG 3.3Å; Q58-L62 PolarHBondContact O-N 3.18Å
59N91.7Very high89.4Confident11 Ų1170.7 Ų70.76%0.05940%0.399CS..Hα-helixtrans-64-36.8177.6-75.3-12.8000110.8F31 T38 L55 L56 S63F31-N59 HydrophobicContact CD2-CB 4.1Å; F31-N59 HydrophobicContact CE2-CB 3.72Å; T38-N59 PolarHBondContact OG1-ND2 3.06Å; L55-N59 WeakPolarHBondContact O-CB 3.34Å; L55-N59 VanDerWaalsContact O-CG 3.29Å; L55-N59 PolarHBondContact O-N 2.84Å; L56-N59 PolarHBondContact O-N 3.42Å; N59-S63 VanDerWaalsContact O-CB 3.31Å; N59-S63 WeakPolarHBondContact O-CB 3.5Å; N59-S63 PolarHBondContact O-N 3.02Å; N59-S63 PolarHBondContact O-OG 2.94Å
60W91.9Very high89.6Confident120 Ų12071.9 Ų71.946%0.45540%0.397SS..Hα-helixtrans-64.1-49.9176.4-179.6-105.7000111.7T27 F31 L56 L57 Q58 L62 S63 V64T27-W60 HydrophobicContact CG2-CH2 4.31Å; T27-W60 HydrophobicContact CG2-CZ3 4.4Å; F31-W60 HydrophobicContact CD2-CB 4.28Å; F31-W60 AromaticContact CD2-CE3 3.94Å; F31-W60 HydrophobicContact CD2-CE3 3.94Å; F31-W60 HydrophobicContact CE2-CB 4.02Å; F31-W60 HydrophobicContact CE2-CE3 4.33Å; F31-W60 HydrophobicContact CG-CE3 4.18Å; L56-W60 VanDerWaalsContact O-CB 3.28Å; L56-W60 WeakPolarHBondContact O-CB 3.43Å; L56-W60 PolarHBondContact O-N 3.29Å; L57-W60 PolarHBondContact O-N 3.25Å; Q58-W60 VanDerWaalsContact C-N 3.26Å; Q58-W60 PolarHBondContact O-N 3.21Å; W60-L62 PolarHBondContact O-N 3.38Å; W60-S63 PolarHBondContact O-N 3.41Å; W60-S63 VanDerWaalsContact O-N 3.16Å; W60-V64 HydrophobicContact CZ2-CG2 4.24Å; W60-V64 WeakPolarHBondContact O-CG2 3.31Å; W60-V64 PolarHBondContact O-N 2.75Å
61T91.6Very high89.5Confident73 Ų7369 Ų6945%0.44837%0.371SS..Hα-helixtrans-62.8-42178.755.20000111.9L57 Q58 S63 V64 I65L57-T61 WeakPolarHBondContact O-CG2 3.23Å; L57-T61 PolarHBondContact O-N 3.43Å; L57-T61 PolarHBondContact O-OG1 3.17Å; Q58-T61 PolarHBondContact O-N 2.78Å; Q58-T61 PolarHBondContact O-OG1 3.44Å; T61-S63 VanDerWaalsContact C-N 3.31Å; T61-S63 PolarHBondContact O-N 3.09Å; T61-V64 PolarHBondContact O-N 3.37Å; T61-I65 WeakPolarHBondContact O-CG1 3.49Å; T61-I65 PolarHBondContact O-N 3.33Å
62L93.3Very high89.3Confident80 Ų8069.7 Ų69.742%0.41938%0.384SS..Hα-helixtrans-60.7-40.5174-73173.6000112.2L34 Q58 W60 I65 F66L34-L62 HydrophobicContact CD1-CB 4.37Å; Q58-L62 HydrophobicContact CG-CD1 4.14Å; Q58-L62 WeakPolarHBondContact O-CB 3.48Å; Q58-L62 VanDerWaalsContact O-CG 3.28Å; Q58-L62 WeakPolarHBondContact O-CG 3.3Å; Q58-L62 PolarHBondContact O-N 3.18Å; W60-L62 PolarHBondContact O-N 3.38Å; L62-I65 PolarHBondContact O-N 3.4Å; L62-F66 VanDerWaalsContact O-CB 3.3Å; L62-F66 WeakPolarHBondContact O-CB 3.33Å; L62-F66 PolarHBondContact O-N 2.8Å
63S93Very high89.1Confident0 Ų075.5 Ų75.50%041%0.409CS..Hα-helixtrans-66-40.2179.9-58.50000112.1F31 N59 W60 T61 S67F31-S63 WeakPolarHBondContact CA-OG 3.35Å; F31-S63 WeakPolarHBondContact CB-OG 3.43Å; F31-S63 PolarHBondContact N-OG 2.82Å; N59-S63 VanDerWaalsContact O-CB 3.31Å; N59-S63 WeakPolarHBondContact O-CB 3.5Å; N59-S63 PolarHBondContact O-N 3.02Å; N59-S63 PolarHBondContact O-OG 2.94Å; W60-S63 PolarHBondContact O-N 3.41Å; W60-S63 VanDerWaalsContact O-N 3.16Å; T61-S63 VanDerWaalsContact C-N 3.31Å; T61-S63 PolarHBondContact O-N 3.09Å; S63-S67 VanDerWaalsContact O-CB 3.29Å; S63-S67 WeakPolarHBondContact O-CB 3.37Å; S63-S67 PolarHBondContact O-N 3.14Å; S63-S67 PolarHBondContact O-OG 2.59Å; S63-S67 VanDerWaalsContact O-OG 3.06Å
64V89.7Confident88.8Confident57 Ų5772.4 Ų72.435%0.34540%0.398SS..Hα-helixtrans-65-44.5175.31730000111.2T27 W60 T61 S67 A68T27-V64 HydrophobicContact CG2-CG2 3.88Å; W60-V64 HydrophobicContact CZ2-CG2 4.24Å; W60-V64 WeakPolarHBondContact O-CG2 3.31Å; W60-V64 PolarHBondContact O-N 2.75Å; T61-V64 PolarHBondContact O-N 3.37Å; V64-S67 PolarHBondContact O-OG 3.06Å; V64-S67 VanDerWaalsContact O-OG 3.1Å; V64-A68 VanDerWaalsContact O-CB 3.27Å; V64-A68 WeakPolarHBondContact O-CB 3.19Å; V64-A68 PolarHBondContact O-N 3.18Å
65I90.6Very high88Confident118 Ų11876.4 Ų76.461%0.60541%0.411SS*.Hα-helixtrans-63.7-45178.7-67.8165.9000110.5T61 L62 A68 G69T61-I65 WeakPolarHBondContact O-CG1 3.49Å; T61-I65 PolarHBondContact O-N 3.33Å; L62-I65 PolarHBondContact O-N 3.4Å; I65-A68 PolarHBondContact O-N 3.34Å; I65-G69 PolarHBondContact O-N 3.42Å
66F91.2Very high87.3Confident123 Ų12378.8 Ų78.854%0.53943%0.425SS..Hα-helixtrans-68-42.3-179.3-168.8-99.8000111.9V30 L62 G69 L70V30-F66 HydrophobicContact CG1-CB 4.2Å; V30-F66 HydrophobicContact CG1-CD1 3.75Å; V30-F66 HydrophobicContact CG1-CG 4.34Å; V30-F66 HydrophobicContact CG2-CD1 3.96Å; V30-F66 HydrophobicContact CG2-CE1 4.46Å; L62-F66 VanDerWaalsContact O-CB 3.3Å; L62-F66 WeakPolarHBondContact O-CB 3.33Å; L62-F66 PolarHBondContact O-N 2.8Å; F66-G69 PolarHBondContact O-N 3.06Å; F66-L70 HydrophobicContact CD1-CD1 3.86Å; F66-L70 HydrophobicContact CD1-CG 4.2Å; F66-L70 HydrophobicContact CE1-CD1 3.66Å; F66-L70 HydrophobicContact CE1-CD2 4.32Å; F66-L70 HydrophobicContact CE1-CG 4Å; F66-L70 WeakPolarHBondContact O-CG 3.4Å; F66-L70 PolarHBondContact O-N 2.75Å
67S89Confident86.4Confident3 Ų377.2 Ų77.22%0.02142%0.415CS..Hα-helixtrans-65.8-38.6176.267.60000111.9T27 S63 V64 G69 L70 V71T27-S67 WeakPolarHBondContact OG1-CB 3.31Å; T27-S67 PolarHBondContact OG1-OG 3Å; S63-S67 VanDerWaalsContact O-CB 3.29Å; S63-S67 WeakPolarHBondContact O-CB 3.37Å; S63-S67 PolarHBondContact O-N 3.14Å; S63-S67 PolarHBondContact O-OG 2.59Å; S63-S67 VanDerWaalsContact O-OG 3.06Å; V64-S67 PolarHBondContact O-OG 3.06Å; V64-S67 VanDerWaalsContact O-OG 3.1Å; S67-G69 VanDerWaalsContact C-N 3.31Å; S67-G69 PolarHBondContact O-N 3.35Å; S67-L70 PolarHBondContact O-N 3.19Å; S67-V71 WeakPolarHBondContact O-CB 2.94Å; S67-V71 WeakPolarHBondContact O-CG2 3.44Å; S67-V71 PolarHBondContact O-N 3.02Å
68A86.7Confident85Confident57 Ų5776.9 Ų76.947%0.47141%0.414SS..Hα-helixtrans-58.9-43.3171.800000111.5V64 I65 V71 A72V64-A68 VanDerWaalsContact O-CB 3.27Å; V64-A68 WeakPolarHBondContact O-CB 3.19Å; V64-A68 PolarHBondContact O-N 3.18Å; I65-A68 PolarHBondContact O-N 3.34Å; A68-V71 PolarHBondContact O-N 3.45Å; A68-A72 VanDerWaalsContact O-CB 3.32Å; A68-A72 WeakPolarHBondContact O-CB 3.39Å; A68-A72 PolarHBondContact O-N 2.98Å
69G87.5Confident83.3Confident36 Ų3675.2 Ų75.237%0.37141%0.411SS..Hα-helixtrans-62.3-40.8174.500000113.7I65 F66 S67 F73I65-G69 PolarHBondContact O-N 3.42Å; F66-G69 PolarHBondContact O-N 3.06Å; S67-G69 VanDerWaalsContact C-N 3.31Å; S67-G69 PolarHBondContact O-N 3.35Å; G69-F73 WeakPolarHBondContact O-CD2 3.29Å; G69-F73 VanDerWaalsContact O-CE2 3.28Å; G69-F73 WeakPolarHBondContact O-CE2 3.46Å
70L86Confident81.6Confident84 Ų8479.8 Ų79.844%0.4443%0.432SS..Hα-helixtrans-65.4-43.9175.9-73.1175.6000112.2I26 V30 F66 S67 A72I26-L70 HydrophobicContact CG2-CD1 4.41Å; V30-L70 HydrophobicContact CG2-CD1 4.32Å; F66-L70 HydrophobicContact CD1-CD1 3.86Å; F66-L70 HydrophobicContact CD1-CG 4.2Å; F66-L70 HydrophobicContact CE1-CD1 3.66Å; F66-L70 HydrophobicContact CE1-CD2 4.32Å; F66-L70 HydrophobicContact CE1-CG 4Å; F66-L70 WeakPolarHBondContact O-CG 3.4Å; F66-L70 PolarHBondContact O-N 2.75Å; S67-L70 PolarHBondContact O-N 3.19Å; L70-A72 VanDerWaalsContact C-N 3.33Å
71V85.8Confident79.6Confident15 Ų1580.4 Ų80.49%0.09144%0.443CS..Hα-helixtrans-71.9-29.4-176.9172.40000111.4V23 I26 S67 A68 F73 N74 F77V23-V71 HydrophobicContact CG2-CG1 4.3Å; V23-V71 HydrophobicContact CG2-CG2 4.26Å; I26-V71 HydrophobicContact CD1-CG2 4.35Å; S67-V71 WeakPolarHBondContact O-CB 2.94Å; S67-V71 WeakPolarHBondContact O-CG2 3.44Å; S67-V71 PolarHBondContact O-N 3.02Å; A68-V71 PolarHBondContact O-N 3.45Å; V71-F73 PolarHBondContact O-N 3.4Å; V71-N74 PolarHBondContact O-N 3.29Å; V71-F77 HydrophobicContact CG1-CB 3.13Å; V71-F77 HydrophobicContact CG1-CD1 3.92Å; V71-F77 HydrophobicContact CG1-CD2 3.88Å; V71-F77 HydrophobicContact CG1-CG 3.42Å; V71-F77 VanDerWaalsContact CG1-CG 3.42Å
72A84.3Confident77.7Confident79 Ų7984.5 Ų84.565%0.65346%0.455SS*.THydrogen-bonded Turntrans-59.2-19.9178.500000114.7A68 L70 N74A68-A72 VanDerWaalsContact O-CB 3.32Å; A68-A72 WeakPolarHBondContact O-CB 3.39Å; A68-A72 PolarHBondContact O-N 2.98Å; L70-A72 VanDerWaalsContact C-N 3.33Å; A72-N74 VanDerWaalsContact C-N 3.3Å
73F82.2Confident75.6Confident186 Ų18684.5 Ų84.582%0.81646%0.455SS*.THydrogen-bonded Turntrans-79.9-10.4176.4-68.1-74.6000113.9G69 V71G69-F73 WeakPolarHBondContact O-CD2 3.29Å; G69-F73 VanDerWaalsContact O-CE2 3.28Å; G69-F73 WeakPolarHBondContact O-CE2 3.46Å; V71-F73 PolarHBondContact O-N 3.4Å
74N79.8Confident73.3Confident73 Ų7394.1 Ų94.139%0.3949%0.491SS..  trans-119.1112-175.3-170.9-23.7000110.7V71 A72 D76 F77V71-N74 PolarHBondContact O-N 3.29Å; A72-N74 VanDerWaalsContact C-N 3.3Å; N74-D76 PolarHBondContact O-N 3.46Å; N74-D76 VanDerWaalsContact O-N 3.14Å; N74-D76 WeakPolarHBondContact OD1-CB 3.15Å; N74-D76 PolarHBondContact OD1-N 3.05Å; N74-D76 VanDerWaalsContact OD1-N 3.08Å; N74-F77 HydrophobicContact CB-CD2 3.83Å; N74-F77 HydrophobicContact CB-CE2 4.19Å; N74-F77 PolarHBondContact O-N 2.96Å
75N73.9Confident71.1Confident141 Ų14198.9 Ų98.975%0.75451%0.514SS*.G310 helixtrans-62-19.5-177-64.4-36.6000113.5F77 D78N75-F77 PolarHBondContact O-N 3.21Å; N75-D78 VanDerWaalsContact O-CB 3.26Å; N75-D78 WeakPolarHBondContact O-CB 3.29Å; N75-D78 PolarHBondContact O-N 2.75Å; N75-D78 VanDerWaalsContact O-N 3.08Å
76D72.8Confident68.7Low111 Ų111100 Ų10059%0.59454%0.54SS*.G310 helixtrans-63.4-23.6175.2-67.7-23.9000111.8M19 N74M19-D76 HydrophobicContact CE-CB 4.34Å; M19-D76 WeakPolarHBondContact CE-O 3.29Å; N74-D76 PolarHBondContact O-N 3.46Å; N74-D76 VanDerWaalsContact O-N 3.14Å; N74-D76 WeakPolarHBondContact OD1-CB 3.15Å; N74-D76 PolarHBondContact OD1-N 3.05Å; N74-D76 VanDerWaalsContact OD1-N 3.08Å
77F70.8Confident67.6Low32 Ų3298.8 Ų98.814%0.1454%0.54CS..G310 helixtrans-102.826.2176.3-56.2-91000112.6M19 L22 V23 V71 N74 N75 T79M19-F77 HydrophobicContact CB-CD1 4.39Å; M19-F77 HydrophobicContact CB-CE1 4.46Å; L22-F77 HydrophobicContact CB-CE1 4.39Å; L22-F77 HydrophobicContact CD2-CE1 4.01Å; L22-F77 HydrophobicContact CD2-CZ 3.58Å; L22-F77 HydrophobicContact CG-CE1 4.29Å; L22-F77 HydrophobicContact CG-CZ 4.15Å; V23-F77 HydrophobicContact CG2-CD1 3.53Å; V23-F77 HydrophobicContact CG2-CE1 3.73Å; V71-F77 HydrophobicContact CG1-CB 3.13Å; V71-F77 HydrophobicContact CG1-CD1 3.92Å; V71-F77 HydrophobicContact CG1-CD2 3.88Å; V71-F77 HydrophobicContact CG1-CG 3.42Å; V71-F77 VanDerWaalsContact CG1-CG 3.42Å; N74-F77 HydrophobicContact CB-CD2 3.83Å; N74-F77 HydrophobicContact CB-CE2 4.19Å; N74-F77 PolarHBondContact O-N 2.96Å; N75-F77 PolarHBondContact O-N 3.21Å; F77-T79 PolarHBondContact O-N 3.29Å; F77-T79 PolarHBondContact O-OG1 3.37Å
78D61.5Low66.5Low112 Ų112103.8 Ų103.860%0.59957%0.568SS**  trans-67.763.7170.2-164.130.8000110N75 Q80N75-D78 VanDerWaalsContact O-CB 3.26Å; N75-D78 WeakPolarHBondContact O-CB 3.29Å; N75-D78 PolarHBondContact O-N 2.75Å; N75-D78 VanDerWaalsContact O-N 3.08Å; D78-Q80 PolarHBondContact O-N 3.23Å
79T56.9Low65.3Low69 Ų69106.4 Ų106.442%0.42357%0.573SS.*  trans-60.394148.511.70000104.7F77 L81F77-T79 PolarHBondContact O-N 3.29Å; F77-T79 PolarHBondContact O-OG1 3.37Å; T79-L81 PolarHBondContact O-N 2.62Å; T79-L81 VanDerWaalsContact O-N 3.1Å
80Q54.7Low64Low107 Ų107110.6 Ų110.650%0.559%0.585SS.*  trans-41.5124.2177.5-67.3-177.1-30.800108.3D78 K82 I83D78-Q80 PolarHBondContact O-N 3.23Å; Q80-K82 HydrophobicContact CB-CB 4.01Å; Q80-K82 PolarHBondContact O-N 2.84Å; Q80-I83 PolarHBondContact O-N 2.72Å
81L51.5Low62.7Low132 Ų132112.3 Ų112.369%0.69159%0.594SS**THydrogen-bonded Turntrans-48.9-18171.5-83.2168.4000112.7T79 I83 W84 L85T79-L81 PolarHBondContact O-N 2.62Å; T79-L81 VanDerWaalsContact O-N 3.1Å; L81-I83 VanDerWaalsContact C-N 3.26Å; L81-I83 PolarHBondContact O-N 3.5Å; L81-W84 PolarHBondContact O-N 3.28Å; L81-W84 VanDerWaalsContact O-N 3.11Å; L81-L85 PolarHBondContact O-N 2.83Å
82K50.7Low61.1Low160 Ų160118.7 Ų118.770%0.69663%0.627SS**Hα-helixtrans-50-37.2167.4-89.4-176.7169178.70114.7Q80 W84 L85 A86Q80-K82 HydrophobicContact CB-CB 4.01Å; Q80-K82 PolarHBondContact O-N 2.84Å; K82-W84 VanDerWaalsContact C-N 3.31Å; K82-L85 PolarHBondContact O-N 3.14Å; K82-A86 WeakPolarHBondContact O-CB 3.24Å; K82-A86 PolarHBondContact O-N 3.23Å
83I48.9Very low59.5Low80 Ų80121.6 Ų121.641%0.4163%0.626SS.*Hα-helixtrans-72.5-29.4179.8-62.8175.3000111Q80 L81 L85Q80-I83 PolarHBondContact O-N 2.72Å; L81-I83 VanDerWaalsContact C-N 3.26Å; L81-I83 PolarHBondContact O-N 3.5Å; I83-L85 VanDerWaalsContact C-N 3.34Å
84W44.9Very low57.7Low202 Ų202116.6 Ų116.677%0.76561%0.611SS**Hα-helixtrans-79-17.9177.3-73.1100.6000113.7L81 K82L81-W84 PolarHBondContact O-N 3.28Å; L81-W84 VanDerWaalsContact O-N 3.11Å; K82-W84 VanDerWaalsContact C-N 3.31Å
85L43.3Very low55.9Low157 Ų157120.3 Ų120.382%0.82263%0.629SS**Hα-helixtrans-104.4-7.7-179.2-77.8171.2000114.2L81 K82 I83L81-L85 PolarHBondContact O-N 2.83Å; K82-L85 PolarHBondContact O-N 3.14Å; I83-L85 VanDerWaalsContact C-N 3.34Å
86A41Very low54.3Low140 Ų140118.4 Ų118.4100%1.15762%0.618SS**  trans-91.20174.500000110.4K82K82-A86 WeakPolarHBondContact O-CB 3.24Å; K82-A86 PolarHBondContact O-N 3.23Å

Retrieved 86 of 86 residues in 48.8 ms (Link to these results)