A0A3Q0KIN6_SCHMA Loading...

Diacylglycerol pyrophosphate (Phosphatidic acid) phosphatase 1

AlphaFold DB , UniProt , Accession A0A3Q0KIN6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 259 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
1M58.9Low83.5Confident162 Ų16291 Ų9180%0.79850%0.5SS*.  0126.10-16415671.600107.1L3 L5 T6 I9M1-L3 PolarHBondContact O-N 3.37Å; M1-L5 HydrophobicContact CG-CD2 4.14Å; M1-L5 HydrophobicContact CG-CG 4.41Å; M1-T6 HydrophobicContact CE-CG2 3.73Å; M1-T6 VanDerWaalsContact CE-OG1 3.25Å; M1-T6 WeakPolarHBondContact CE-OG1 3.37Å; M1-T6 WeakPolarHBondContact CG-OG1 3.49Å; M1-I9 HydrophobicContact SD-CD1 4.2Å
2N76.5Confident84.3Confident131 Ų13184.4 Ų84.470%0.70146%0.464SS*.  trans-60.5132.9-176.2-68.5-17.1000109.9P4 L5 T6N2-P4 VanDerWaalsContact C-N 3.28Å; N2-P4 VanDerWaalsContact O-N 3.13Å; N2-L5 WeakPolarHBondContact O-CB 3.27Å; N2-L5 PolarHBondContact O-N 2.87Å; N2-T6 PolarHBondContact O-N 2.93Å; N2-T6 VanDerWaalsContact O-N 3.09Å; N2-T6 PolarHBondContact O-OG1 3.15Å
3L72Confident85Confident129 Ų12985.2 Ų85.268%0.67547%0.466SS*.Hα-helixtrans-46.9-41.9-177.2-178.766.3000113.8M1 L5 T6 L7M1-L3 PolarHBondContact O-N 3.37Å; L3-L5 PolarHBondContact O-N 3Å; L3-T6 PolarHBondContact O-N 3.5Å; L3-L7 HydrophobicContact CD1-CD1 4.28Å; L3-L7 HydrophobicContact CD1-CG 4.44Å; L3-L7 HydrophobicContact CG-CD1 4.06Å; L3-L7 WeakPolarHBondContact O-CG 3.28Å; L3-L7 PolarHBondContact O-N 3.27Å
4P84.6Confident85.7Confident96 Ų9686.1 Ų86.162%0.62347%0.469SS*.Hα-helixtrans-63.9-37.7176.6-22.134.2000113.8N2 R8N2-P4 VanDerWaalsContact C-N 3.28Å; N2-P4 VanDerWaalsContact O-N 3.13Å; P4-R8 WeakPolarHBondContact O-CB 3.19Å; P4-R8 PolarHBondContact O-N 2.98Å
5L83.6Confident86.2Confident82 Ų8284.1 Ų84.143%0.42946%0.461SS..Hα-helixtrans-70.7-41.4178.9-179.262.7000110.9M1 N2 L3 R8 I9M1-L5 HydrophobicContact CG-CD2 4.14Å; M1-L5 HydrophobicContact CG-CG 4.41Å; N2-L5 WeakPolarHBondContact O-CB 3.27Å; N2-L5 PolarHBondContact O-N 2.87Å; L3-L5 PolarHBondContact O-N 3Å; L5-R8 PolarHBondContact O-N 2.82Å; L5-I9 HydrophobicContact CD1-CD1 4.06Å; L5-I9 HydrophobicContact CD1-CG1 4.29Å; L5-I9 HydrophobicContact CG-CD1 3.91Å; L5-I9 WeakPolarHBondContact O-CG1 3.44Å; L5-I9 PolarHBondContact O-N 2.92Å
6T87Confident86.7Confident44 Ų4480.3 Ų80.327%0.2744%0.439SS..Hα-helixtrans-60.9-45.7175.4-51.70000111.1M1 N2 L3 R8 I9 S10M1-T6 HydrophobicContact CE-CG2 3.73Å; M1-T6 VanDerWaalsContact CE-OG1 3.25Å; M1-T6 WeakPolarHBondContact CE-OG1 3.37Å; M1-T6 WeakPolarHBondContact CG-OG1 3.49Å; N2-T6 PolarHBondContact O-N 2.93Å; N2-T6 VanDerWaalsContact O-N 3.09Å; N2-T6 PolarHBondContact O-OG1 3.15Å; L3-T6 PolarHBondContact O-N 3.5Å; T6-R8 VanDerWaalsContact C-N 3.34Å; T6-R8 PolarHBondContact O-N 2.91Å; T6-I9 PolarHBondContact O-N 3.08Å; T6-S10 WeakPolarHBondContact O-CB 3.29Å; T6-S10 PolarHBondContact O-N 2.98Å; T6-S10 PolarHBondContact O-OG 3.02Å; T6-S10 VanDerWaalsContact O-OG 3.05Å
7L89.9Confident87.1Confident110 Ų11081.8 Ų81.858%0.57645%0.445SS*.Hα-helixtrans-60.6-43.6176.7-76.6166.3000111.9L3 S10 S11L3-L7 HydrophobicContact CD1-CD1 4.28Å; L3-L7 HydrophobicContact CD1-CG 4.44Å; L3-L7 HydrophobicContact CG-CD1 4.06Å; L3-L7 WeakPolarHBondContact O-CG 3.28Å; L3-L7 PolarHBondContact O-N 3.27Å; L7-S10 PolarHBondContact O-N 3.05Å; L7-S11 WeakPolarHBondContact O-CB 3.2Å; L7-S11 PolarHBondContact O-N 3.15Å
8R88.8Confident87.5Confident70 Ų7083.2 Ų83.226%0.26445%0.452SS..Hα-helixtrans-59.1-52.6176.1-178.8179177.3-148.8-7111.7P4 L5 T6 S10 S11 D12 D99 Y244P4-R8 WeakPolarHBondContact O-CB 3.19Å; P4-R8 PolarHBondContact O-N 2.98Å; L5-R8 PolarHBondContact O-N 2.82Å; T6-R8 VanDerWaalsContact C-N 3.34Å; T6-R8 PolarHBondContact O-N 2.91Å; R8-S10 VanDerWaalsContact C-N 3.34Å; R8-S10 PolarHBondContact O-N 2.98Å; R8-S11 PolarHBondContact O-N 3.38Å; R8-S11 VanDerWaalsContact O-N 3.16Å; R8-D12 IonicContact NE-OD2 3.02Å; R8-D12 PolarHBondContact O-N 3.25Å; R8-D99 IonicContact CZ-OD1 2.69Å; R8-D99 VanDerWaalsContact CZ-OD1 3.28Å; R8-D99 IonicContact NH1-OD1 3.52Å; R8-D99 PolarHBondContact NH1-OD1 2.83Å; R8-D99 IonicContact NH2-OD1 2.6Å; R8-D99 PolarHBondContact NH2-OD1 3.44Å; R8-Y244 PolarHBondContact NH2-OH 2.92Å
9I91Very high87.8Confident41 Ų4180.4 Ų80.421%0.2144%0.436CS..Hα-helixtrans-60.6-44.8-178.8-65.9167.7000110.8M1 L5 T6 S11 D12 L13 Y98M1-I9 HydrophobicContact SD-CD1 4.2Å; L5-I9 HydrophobicContact CD1-CD1 4.06Å; L5-I9 HydrophobicContact CD1-CG1 4.29Å; L5-I9 HydrophobicContact CG-CD1 3.91Å; L5-I9 WeakPolarHBondContact O-CG1 3.44Å; L5-I9 PolarHBondContact O-N 2.92Å; T6-I9 PolarHBondContact O-N 3.08Å; I9-S11 VanDerWaalsContact C-N 3.32Å; I9-S11 PolarHBondContact O-N 3.47Å; I9-D12 PolarHBondContact O-N 3.41Å; I9-L13 HydrophobicContact CG2-CD1 3.91Å; I9-L13 HydrophobicContact CG2-CG 4.33Å; I9-L13 WeakPolarHBondContact O-CB 3.39Å; I9-L13 VanDerWaalsContact O-CG 3.3Å; I9-L13 WeakPolarHBondContact O-CG 3.47Å; I9-L13 PolarHBondContact O-N 2.92Å; I9-Y98 WeakPolarHBondContact CA-OH 3.47Å; I9-Y98 HydrophobicContact CG1-CE2 4.23Å
10S93.1Very high87.9Confident70 Ų7078.3 Ų78.349%0.4942%0.424SS..Hα-helixtrans-61.5-40.2177.2-64.60000112.3T6 L7 R8 L14T6-S10 WeakPolarHBondContact O-CB 3.29Å; T6-S10 PolarHBondContact O-N 2.98Å; T6-S10 PolarHBondContact O-OG 3.02Å; T6-S10 VanDerWaalsContact O-OG 3.05Å; L7-S10 PolarHBondContact O-N 3.05Å; R8-S10 VanDerWaalsContact C-N 3.34Å; R8-S10 PolarHBondContact O-N 2.98Å; S10-L14 VanDerWaalsContact O-CB 3.25Å; S10-L14 WeakPolarHBondContact O-CB 3.46Å; S10-L14 PolarHBondContact O-N 2.97Å
11S93Very high87.9Confident66 Ų6676.5 Ų76.546%0.46242%0.419SS..Hα-helixtrans-67-43.9177.5-1790000112.4L7 R8 I9 L14 T15L7-S11 WeakPolarHBondContact O-CB 3.2Å; L7-S11 PolarHBondContact O-N 3.15Å; R8-S11 PolarHBondContact O-N 3.38Å; R8-S11 VanDerWaalsContact O-N 3.16Å; I9-S11 VanDerWaalsContact C-N 3.32Å; I9-S11 PolarHBondContact O-N 3.47Å; S11-L14 PolarHBondContact O-N 3Å; S11-T15 WeakPolarHBondContact O-CB 3.36Å; S11-T15 PolarHBondContact O-N 3.43Å; S11-T15 PolarHBondContact O-OG1 2.87Å
12D92.7Very high89Confident12 Ų1270 Ų706%0.06439%0.389CS..Hα-helixtrans-60.3-49.3176.5-69.2-33.7000110.4R8 I9 T15 I16 Y98 V102 Y244R8-D12 IonicContact NE-OD2 3.02Å; R8-D12 PolarHBondContact O-N 3.25Å; I9-D12 PolarHBondContact O-N 3.41Å; D12-T15 PolarHBondContact O-N 2.85Å; D12-I16 WeakPolarHBondContact O-CG1 3.42Å; D12-I16 PolarHBondContact O-N 3.03Å; D12-Y98 WeakPolarHBondContact CB-OH 3.23Å; D12-Y98 PolarHBondContact OD2-OH 3.12Å; D12-V102 HydrophobicContact CB-CG1 3.88Å; D12-V102 HydrophobicContact CB-CG2 4.39Å; D12-Y244 PolarHBondContact OD1-OH 3.13Å; D12-Y244 PolarHBondContact OD2-OH 3.22Å
13L93.6Very high89.5Confident94 Ų9466.5 Ų66.549%0.49237%0.366SS..Hα-helixtrans-63-44.1179.3-70.7176.6000112.4I9 T15 I16 I17I9-L13 HydrophobicContact CG2-CD1 3.91Å; I9-L13 HydrophobicContact CG2-CG 4.33Å; I9-L13 WeakPolarHBondContact O-CB 3.39Å; I9-L13 VanDerWaalsContact O-CG 3.3Å; I9-L13 WeakPolarHBondContact O-CG 3.47Å; I9-L13 PolarHBondContact O-N 2.92Å; L13-T15 VanDerWaalsContact C-N 3.31Å; L13-T15 PolarHBondContact O-N 3.17Å; L13-I16 PolarHBondContact O-N 3.3Å; L13-I17 VanDerWaalsContact O-CG1 3.27Å; L13-I17 WeakPolarHBondContact O-CG1 3.3Å; L13-I17 PolarHBondContact O-N 3.42Å
14L95Very high90.2Very high98 Ų9867.6 Ų67.651%0.51337%0.365SS..Hα-helixtrans-59.8-44.5176.8178.261.6000111S10 S11 I16 I17 L18S10-L14 VanDerWaalsContact O-CB 3.25Å; S10-L14 WeakPolarHBondContact O-CB 3.46Å; S10-L14 PolarHBondContact O-N 2.97Å; S11-L14 PolarHBondContact O-N 3Å; L14-I16 PolarHBondContact O-N 2.92Å; L14-I17 PolarHBondContact O-N 2.98Å; L14-L18 HydrophobicContact CD1-CD1 4.01Å; L14-L18 HydrophobicContact CD1-CG 4.04Å; L14-L18 HydrophobicContact CG-CD1 3.93Å; L14-L18 HydrophobicContact CG-CG 4.37Å; L14-L18 WeakPolarHBondContact O-CB 3.48Å; L14-L18 VanDerWaalsContact O-CG 3.28Å; L14-L18 WeakPolarHBondContact O-CG 3.39Å; L14-L18 PolarHBondContact O-N 3.04Å
15T93.3Very high90.3Very high56 Ų5668.6 Ų68.634%0.34437%0.365SS..Hα-helixtrans-60.1-47.3178-57.40000111.1S11 D12 L13 I17 L18 L19S11-T15 WeakPolarHBondContact O-CB 3.36Å; S11-T15 PolarHBondContact O-N 3.43Å; S11-T15 PolarHBondContact O-OG1 2.87Å; D12-T15 PolarHBondContact O-N 2.85Å; L13-T15 VanDerWaalsContact C-N 3.31Å; L13-T15 PolarHBondContact O-N 3.17Å; T15-I17 PolarHBondContact O-N 3.42Å; T15-L18 PolarHBondContact O-N 3.19Å; T15-L19 HydrophobicContact CG2-CD1 3.99Å; T15-L19 WeakPolarHBondContact O-CB 3.46Å; T15-L19 VanDerWaalsContact O-CG 3.28Å; T15-L19 WeakPolarHBondContact O-CG 3.44Å; T15-L19 PolarHBondContact O-N 3.49Å
16I94.3Very high90.4Very high23 Ų2366.1 Ų66.112%0.11835%0.352CS..Hα-helixtrans-59.8-47.7177.1-67.8164.3000110.3D12 L13 L14 L18 L19 H20 V102 L105 I106D12-I16 WeakPolarHBondContact O-CG1 3.42Å; D12-I16 PolarHBondContact O-N 3.03Å; L13-I16 PolarHBondContact O-N 3.3Å; L14-I16 PolarHBondContact O-N 2.92Å; I16-L18 PolarHBondContact O-N 3.09Å; I16-L19 PolarHBondContact O-N 3.14Å; I16-H20 PolarHBondContact O-N 3.08Å; I16-H20 PolarHBondContact O-ND1 3.43Å; I16-V102 HydrophobicContact CD1-CG1 4.44Å; I16-L105 HydrophobicContact CD1-CB 3.85Å; I16-L105 HydrophobicContact CD1-CD1 4.07Å; I16-L105 HydrophobicContact CG1-CB 4.15Å; I16-L105 HydrophobicContact CG2-CB 4.44Å; I16-I106 HydrophobicContact CG1-CG1 4.03Å
17I94.2Very high90.4Very high106 Ų10669.2 Ų69.254%0.54436%0.362SS..Hα-helixtrans-60-48.1-179.9-70165.5000110.9L13 L14 T15 L19 H20 A21L13-I17 VanDerWaalsContact O-CG1 3.27Å; L13-I17 WeakPolarHBondContact O-CG1 3.3Å; L13-I17 PolarHBondContact O-N 3.42Å; L14-I17 PolarHBondContact O-N 2.98Å; T15-I17 PolarHBondContact O-N 3.42Å; I17-L19 PolarHBondContact O-N 2.71Å; I17-H20 PolarHBondContact O-N 2.88Å; I17-A21 WeakPolarHBondContact O-CB 3.36Å; I17-A21 PolarHBondContact O-N 2.9Å
18L93.6Very high90.3Very high108 Ų10873.2 Ų73.257%0.56537%0.371SS*.Hα-helixtrans-61.7-43.1-178.4-70.8174.2000112.2L14 T15 I16 H20 V22L14-L18 HydrophobicContact CD1-CD1 4.01Å; L14-L18 HydrophobicContact CD1-CG 4.04Å; L14-L18 HydrophobicContact CG-CD1 3.93Å; L14-L18 HydrophobicContact CG-CG 4.37Å; L14-L18 WeakPolarHBondContact O-CB 3.48Å; L14-L18 VanDerWaalsContact O-CG 3.28Å; L14-L18 WeakPolarHBondContact O-CG 3.39Å; L14-L18 PolarHBondContact O-N 3.04Å; T15-L18 PolarHBondContact O-N 3.19Å; I16-L18 PolarHBondContact O-N 3.09Å; L18-H20 VanDerWaalsContact C-N 3.26Å; L18-H20 PolarHBondContact O-N 3.39Å; L18-V22 PolarHBondContact O-N 3.32Å
19L93.3Very high90.2Very high29 Ų2979.2 Ų79.215%0.15239%0.394CS..Hα-helixtrans-62-33.1178.5-72.9172.6000112.7T15 I16 I17 I106 F113T15-L19 HydrophobicContact CG2-CD1 3.99Å; T15-L19 WeakPolarHBondContact O-CB 3.46Å; T15-L19 VanDerWaalsContact O-CG 3.28Å; T15-L19 WeakPolarHBondContact O-CG 3.44Å; T15-L19 PolarHBondContact O-N 3.49Å; I16-L19 PolarHBondContact O-N 3.14Å; I17-L19 PolarHBondContact O-N 2.71Å; L19-I106 HydrophobicContact CD1-CG2 4.43Å; L19-F113 HydrophobicContact CD2-CB 4.16Å; L19-F113 HydrophobicContact CD2-CG 4.32Å
20H89.4Confident90Very high39 Ų3979 Ų7918%0.18140%0.403CS..Hα-helixtrans-90.5-33.4-179.2-66.678.9000113.1I16 I17 L18 V22 Y23 Y62 G109I16-H20 PolarHBondContact O-N 3.08Å; I16-H20 PolarHBondContact O-ND1 3.43Å; I17-H20 PolarHBondContact O-N 2.88Å; L18-H20 VanDerWaalsContact C-N 3.26Å; L18-H20 PolarHBondContact O-N 3.39Å; H20-V22 VanDerWaalsContact C-N 3.28Å; H20-V22 PolarHBondContact O-N 3.35Å; H20-Y23 PolarHBondContact O-N 3.48Å; H20-Y62 PolarHBondContact CD2-OH 3.34Å; H20-Y62 AromaticContact NE2-CE1 3.6Å; H20-Y62 AromaticContact NE2-CZ 3.55Å; H20-Y62 PolarHBondContact NE2-OH 3.38Å; H20-G109 WeakPolarHBondContact CE1-CA 3.5Å
21A89.1Confident89.7Confident40 Ų4077.2 Ų77.233%0.33139%0.39SS..Hα-helixtrans-67.3-27.2-177.400000112.9I17 Y23 F24I17-A21 WeakPolarHBondContact O-CB 3.36Å; I17-A21 PolarHBondContact O-N 2.9Å; A21-Y23 PolarHBondContact O-N 2.96Å; A21-F24 PolarHBondContact O-N 2.9Å; A21-F24 VanDerWaalsContact O-N 3.13Å
22V81.6Confident89.3Confident26 Ų2679.4 Ų79.416%0.15839%0.393CS..Hα-helixtrans-55.6-30.4-178.390.40000112.7L18 H20 F24 L25 I26 F113L18-V22 PolarHBondContact O-N 3.32Å; H20-V22 VanDerWaalsContact C-N 3.28Å; H20-V22 PolarHBondContact O-N 3.35Å; V22-F24 VanDerWaalsContact C-N 3.27Å; V22-F24 PolarHBondContact O-N 3.21Å; V22-L25 WeakPolarHBondContact O-CB 3.45Å; V22-L25 PolarHBondContact O-N 3.04Å; V22-L25 VanDerWaalsContact O-N 3.14Å; V22-I26 HydrophobicContact CB-CD1 4.43Å; V22-I26 HydrophobicContact CG1-CD1 3.88Å; V22-I26 HydrophobicContact CG2-CD1 3.88Å; V22-I26 HydrophobicContact CG2-CG1 4.26Å; V22-I26 WeakPolarHBondContact O-CG1 3.45Å; V22-I26 PolarHBondContact O-N 2.94Å; V22-F113 HydrophobicContact CB-CD2 3.86Å; V22-F113 HydrophobicContact CB-CE2 4.18Å; V22-F113 HydrophobicContact CG1-CB 4.32Å; V22-F113 HydrophobicContact CG1-CD2 3.37Å; V22-F113 HydrophobicContact CG1-CE2 4.03Å; V22-F113 HydrophobicContact CG1-CG 4.2Å; V22-F113 HydrophobicContact CG2-CD2 4.08Å; V22-F113 HydrophobicContact CG2-CE2 3.88Å
23Y85.7Confident88.9Confident58 Ų5885.7 Ų85.723%0.22742%0.42CS..Hα-helixtrans-59.4-40.8-177.8165.9-93.7000112.3H20 A21 L25 I26 K27 F112 T116H20-Y23 PolarHBondContact O-N 3.48Å; A21-Y23 PolarHBondContact O-N 2.96Å; Y23-L25 VanDerWaalsContact C-N 3.3Å; Y23-L25 PolarHBondContact O-N 3.34Å; Y23-I26 PolarHBondContact O-N 3.14Å; Y23-K27 HydrophobicContact CE1-CD 3.85Å; Y23-K27 HydrophobicContact CE2-CD 4.5Å; Y23-K27 WeakPolarHBondContact O-CB 3.19Å; Y23-K27 PolarHBondContact O-N 3.46Å; Y23-K27 WeakPolarHBondContact OH-CD 3.29Å; Y23-K27 PolarHBondContact OH-NZ 3.2Å; Y23-F112 VanDerWaalsContact CB-CZ 3.46Å; Y23-F112 HydrophobicContact CD1-CZ 4.2Å; Y23-F112 HydrophobicContact CD2-CE1 4.22Å; Y23-F112 HydrophobicContact CD2-CE2 4.16Å; Y23-F112 AromaticContact CD2-CZ 3.49Å; Y23-F112 HydrophobicContact CD2-CZ 3.49Å; Y23-F112 VanDerWaalsContact CD2-CZ 3.49Å; Y23-F112 HydrophobicContact CE2-CZ 4.27Å; Y23-F112 AromaticContact CG-CE1 3.86Å; Y23-F112 HydrophobicContact CG-CE1 3.86Å; Y23-F112 AromaticContact CG-CZ 3.45Å; Y23-F112 HydrophobicContact CG-CZ 3.45Å; Y23-F112 VanDerWaalsContact CG-CZ 3.45Å; Y23-T116 HydrophobicContact CD2-CG2 3.86Å
24F86.6Confident88.6Confident151 Ų15186 Ų8666%0.66241%0.414SS*.Hα-helixtrans-67.6-35.3180-62.5-73.5000111.5A21 V22 Y28A21-F24 PolarHBondContact O-N 2.9Å; A21-F24 VanDerWaalsContact O-N 3.13Å; V22-F24 VanDerWaalsContact C-N 3.27Å; V22-F24 PolarHBondContact O-N 3.21Å; F24-Y28 PolarHBondContact O-N 2.9Å
25L86.5Confident88.5Confident117 Ų11783.6 Ų83.661%0.61341%0.406SS*.Hα-helixtrans-67.8-48.1175.5-65.4173.8000111.5V22 Y23 Y28 Y29V22-L25 WeakPolarHBondContact O-CB 3.45Å; V22-L25 PolarHBondContact O-N 3.04Å; V22-L25 VanDerWaalsContact O-N 3.14Å; Y23-L25 VanDerWaalsContact C-N 3.3Å; Y23-L25 PolarHBondContact O-N 3.34Å; L25-Y28 WeakPolarHBondContact O-CB 3.34Å; L25-Y28 PolarHBondContact O-N 3.31Å; L25-Y29 VanDerWaalsContact O-CD2 3.29Å; L25-Y29 WeakPolarHBondContact O-CD2 3.38Å
26I87.4Confident88.6Confident31 Ų3181.1 Ų81.116%0.15939%0.39CS..Hα-helixtrans-67.6-42.7-177.3-64.8165.6000110.9V22 Y23 Y28 Y29 T116 I117 Y120V22-I26 HydrophobicContact CB-CD1 4.43Å; V22-I26 HydrophobicContact CG1-CD1 3.88Å; V22-I26 HydrophobicContact CG2-CD1 3.88Å; V22-I26 HydrophobicContact CG2-CG1 4.26Å; V22-I26 WeakPolarHBondContact O-CG1 3.45Å; V22-I26 PolarHBondContact O-N 2.94Å; Y23-I26 PolarHBondContact O-N 3.14Å; I26-Y28 PolarHBondContact O-N 3.31Å; I26-Y29 PolarHBondContact O-N 3.21Å; I26-Y29 VanDerWaalsContact O-N 3.13Å; I26-T116 HydrophobicContact CB-CG2 4.09Å; I26-T116 HydrophobicContact CD1-CG2 3.83Å; I26-T116 HydrophobicContact CG2-CG2 4.04Å; I26-I117 HydrophobicContact CD1-CB 4.4Å; I26-I117 HydrophobicContact CD1-CD1 4.39Å; I26-I117 HydrophobicContact CD1-CG1 3.38Å; I26-Y120 VanDerWaalsContact CG2-CB 3.41Å; I26-Y120 HydrophobicContact CG2-CD1 3.98Å; I26-Y120 HydrophobicContact CG2-CD2 3.65Å; I26-Y120 HydrophobicContact CG2-CE2 4.38Å; I26-Y120 HydrophobicContact CG2-CG 3.41Å; I26-Y120 VanDerWaalsContact CG2-CG 3.41Å
27K85.9Confident88.7Confident108 Ų10885.3 Ų85.347%0.4741%0.408SS..Hα-helixtrans-59-33.1179.2-178.9174-174.3176.70112.8Y23 Y29 G30 Y120Y23-K27 HydrophobicContact CE1-CD 3.85Å; Y23-K27 HydrophobicContact CE2-CD 4.5Å; Y23-K27 WeakPolarHBondContact O-CB 3.19Å; Y23-K27 PolarHBondContact O-N 3.46Å; Y23-K27 WeakPolarHBondContact OH-CD 3.29Å; Y23-K27 PolarHBondContact OH-NZ 3.2Å; K27-Y29 VanDerWaalsContact C-N 3.31Å; K27-Y29 PolarHBondContact O-N 3.36Å; K27-G30 PolarHBondContact O-N 2.99Å; K27-Y120 HydrophobicContact CB-CE1 4.47Å
28Y87.8Confident88.7Confident195 Ų19580.6 Ų80.677%0.76538%0.384SS*.Hα-helixtrans-61.6-37.1178.2179.6-98.3000112.7F24 L25 I26F24-Y28 PolarHBondContact O-N 2.9Å; L25-Y28 WeakPolarHBondContact O-CB 3.34Å; L25-Y28 PolarHBondContact O-N 3.31Å; I26-Y28 PolarHBondContact O-N 3.31Å
29Y86.5Confident88.8Confident195 Ų19580.5 Ų80.577%0.76538%0.384SS*.Hα-helixtrans-79.8-16.1-179.2-71.7-78.4000114.2L25 I26 K27L25-Y29 VanDerWaalsContact O-CD2 3.29Å; L25-Y29 WeakPolarHBondContact O-CD2 3.38Å; I26-Y29 PolarHBondContact O-N 3.21Å; I26-Y29 VanDerWaalsContact O-N 3.13Å; K27-Y29 VanDerWaalsContact C-N 3.31Å; K27-Y29 PolarHBondContact O-N 3.36Å
30G86.4Confident88.9Confident38 Ų3881.7 Ų81.739%0.39239%0.391SS..  trans73.1177.8-176.700000113.3K27K27-G30 PolarHBondContact O-N 2.99Å
31S88.8Confident89.2Confident31 Ų3189 Ų8922%0.21742%0.417CS..PPolyproline II helixtrans-99.3155.1-177.457.30000112.3Y120 F162S31-Y120 WeakPolarHBondContact CA-O 3.43Å; S31-F162 VanDerWaalsContact OG-CB 3.24Å; S31-F162 WeakPolarHBondContact OG-CB 3.46Å
32H84.3Confident89.6Confident113 Ų11389 Ų8952%0.52341%0.414SS..PPolyproline II helixtrans-61.8140.4169.4-74.5-82.1000111.7Y120 Y121H32-Y120 PolarHBondContact N-O 2.9Å; H32-Y121 PolarHBondContact CD2-O 3.44Å
33K84.6Confident90.3Very high143 Ų14387.9 Ų87.962%0.62241%0.408SS*.PPolyproline II helixtrans-75.1135.4168.4-73.7-171.1175.7-175.20109.5F162K33-F162 HydrophobicContact CG-CE1 4.46Å; K33-F162 HydrophobicContact CG-CZ 4.5Å
34W86.2Confident90.9Very high100 Ų10088.7 Ų88.738%0.37941%0.412SS..  trans-106142.6-177-168-76.8000111.3L122 G123 R124 L125 Y148W34-L122 HydrophobicContact CZ3-CB 4.03Å; W34-L122 WeakPolarHBondContact CZ3-O 3.26Å; W34-G123 VanDerWaalsContact CB-O 3.28Å; W34-G123 WeakPolarHBondContact CB-O 3.45Å; W34-G123 VanDerWaalsContact CE3-C 3.42Å; W34-R124 VanDerWaalsContact CE3-CA 3.43Å; W34-R124 HydrophobicContact CE3-CB 4.13Å; W34-R124 VanDerWaalsContact CE3-N 3.31Å; W34-R124 HydrophobicContact CH2-CB 4.21Å; W34-R124 HydrophobicContact CZ3-CB 3.95Å; W34-L125 HydrophobicContact CB-CD2 3.88Å; W34-L125 HydrophobicContact CB-CG 3.98Å; W34-L125 HydrophobicContact CG-CG 4.19Å; W34-Y148 WeakPolarHBondContact O-CE1 3.49Å; W34-Y148 PolarHBondContact O-OH 2.98Å
35S93.2Very high91.4Very high48 Ų4887.2 Ų87.234%0.33640%0.403SS..  trans-84.9140.5176.1-54.40000111.1Q145S35-Q145 VanDerWaalsContact CA-O 3.27Å; S35-Q145 WeakPolarHBondContact CA-O 3.23Å; S35-Q145 WeakPolarHBondContact CB-O 3.48Å
36F95.7Very high91.9Very high4 Ų484.9 Ų84.92%0.01840%0.395CS..EExtended strand (participates in β ladder)trans-129.8153.1-178.265.1-92000112.7I43 L125 F129 W130 P135 V137 Q145 Y148F36-I43 HydrophobicContact CB-CD1 3.74Å; F36-I43 HydrophobicContact CD2-CD1 4.21Å; F36-I43 HydrophobicContact CG-CD1 4.1Å; F36-L125 HydrophobicContact CB-CD1 3.64Å; F36-L125 HydrophobicContact CD1-CD1 4.06Å; F36-L125 HydrophobicContact CG-CD1 4.17Å; F36-F129 AromaticContact CD1-CE1 3.84Å; F36-F129 HydrophobicContact CD1-CE1 3.84Å; F36-F129 AromaticContact CD1-CZ 3.97Å; F36-F129 HydrophobicContact CD1-CZ 3.97Å; F36-F129 AromaticContact CE1-CE1 3.71Å; F36-F129 HydrophobicContact CE1-CE1 3.71Å; F36-F129 AromaticContact CE1-CZ 3.76Å; F36-F129 HydrophobicContact CE1-CZ 3.76Å; F36-F129 HydrophobicContact CG-CE1 4.36Å; F36-F129 HydrophobicContact CZ-CE1 4.15Å; F36-W130 HydrophobicContact CD2-CZ2 4.07Å; F36-W130 HydrophobicContact CE2-CH2 4.07Å; F36-W130 AromaticContact CE2-CZ2 3.5Å; F36-W130 HydrophobicContact CE2-CZ2 3.5Å; F36-W130 VanDerWaalsContact CE2-CZ2 3.5Å; F36-W130 HydrophobicContact CZ-CZ2 4.32Å; F36-P135 HydrophobicContact CE1-CB 4.3Å; F36-P135 HydrophobicContact CE1-CG 4.48Å; F36-P135 HydrophobicContact CZ-CB 3.95Å; F36-P135 HydrophobicContact CZ-CG 3.87Å; F36-V137 HydrophobicContact CE2-CG1 4.48Å; F36-V137 HydrophobicContact CZ-CG1 3.95Å; F36-Q145 HydrophobicContact CD1-CB 4.44Å; F36-Q145 HydrophobicContact CD2-CB 4.34Å; F36-Q145 HydrophobicContact CE1-CB 4.1Å; F36-Q145 HydrophobicContact CE2-CB 3.97Å; F36-Q145 HydrophobicContact CE2-CG 3.92Å; F36-Q145 HydrophobicContact CZ-CB 3.84Å; F36-Q145 HydrophobicContact CZ-CG 4.11Å; F36-Q145 PolarHBondContact N-O 3.36Å; F36-Q145 VanDerWaalsContact N-O 3.09Å; F36-Q145 PolarHBondContact O-N 3.39Å; F36-Y148 HydrophobicContact CD1-CD1 4.18Å; F36-Y148 AromaticContact CD1-CE1 3.68Å; F36-Y148 HydrophobicContact CD1-CE1 3.68Å; F36-Y148 AromaticContact CD1-CZ 3.91Å; F36-Y148 AromaticContact CE1-CD1 3.54Å; F36-Y148 HydrophobicContact CE1-CD1 3.54Å; F36-Y148 HydrophobicContact CE1-CD2 4.11Å; F36-Y148 AromaticContact CE1-CE1 3.46Å; F36-Y148 HydrophobicContact CE1-CE1 3.46Å; F36-Y148 VanDerWaalsContact CE1-CE1 3.46Å; F36-Y148 HydrophobicContact CE1-CE2 4.05Å; F36-Y148 AromaticContact CE1-CG 3.87Å; F36-Y148 HydrophobicContact CE1-CG 3.87Å; F36-Y148 AromaticContact CE1-CZ 3.72Å; F36-Y148 HydrophobicContact CZ-CD1 4.43Å
37F96Very high92.4Very high111 Ų11187 Ų8749%0.48740%0.402SS..EExtended strand (participates in β ladder)trans-86.4137.1170.7-68.7-83.9000110D39 D40 G143 L144F37-D39 WeakPolarHBondContact CB-OD1 3.32Å; F37-D39 PolarHBondContact O-N 3.26Å; F37-D40 HydrophobicContact CB-CB 4.43Å; F37-D40 WeakPolarHBondContact O-CB 3.27Å; F37-D40 PolarHBondContact O-N 2.94Å; F37-G143 WeakPolarHBondContact CA-O 3.29Å; F37-L144 HydrophobicContact CD1-CB 4Å; F37-L144 HydrophobicContact CD1-CD1 4.17Å; F37-L144 HydrophobicContact CD2-CD1 4.08Å; F37-L144 HydrophobicContact CE1-CB 3.74Å; F37-L144 HydrophobicContact CE1-CD1 4.02Å; F37-L144 HydrophobicContact CE1-CG 4.39Å; F37-L144 HydrophobicContact CE2-CD1 3.92Å; F37-L144 HydrophobicContact CG-CD1 4.21Å; F37-L144 HydrophobicContact CZ-CB 4.33Å; F37-L144 HydrophobicContact CZ-CD1 3.89Å
38C94.5Very high92.9Very high8 Ų886 Ų865%0.05440%0.397CS..THydrogen-bonded Turntrans-59.5-28.5-178.5-62.10000113.4K44 C141 T142 G143 Q145C38-K44 VanDerWaalsContact O-CE 3.29Å; C38-K44 WeakPolarHBondContact O-CE 3.44Å; C38-K44 PolarHBondContact O-NZ 3.07Å; C38-C141 VanDerWaalsContact CB-C 3.49Å; C38-C141 HydrophobicContact CB-CB 3.61Å; C38-C141 WeakPolarHBondContact CB-O 3.4Å; C38-C141 WeakPolarHBondContact CB-SG 3.34Å; C38-C141 VanDerWaalsContact SG-CA 3.56Å; C38-C141 WeakPolarHBondContact SG-CB 2.97Å; C38-C141 CovalentContact SG-SG 2.03Å; C38-C141 PolarHBondContact SG-SG 2.96Å; C38-T142 VanDerWaalsContact SG-C 3.54Å; C38-T142 PolarHBondContact SG-N 3.17Å; C38-G143 PolarHBondContact N-O 3.38Å; C38-G143 PolarHBondContact SG-O 2.62Å; C38-G143 VanDerWaalsContact SG-O 3.37Å; C38-Q145 VanDerWaalsContact SG-CG 3.59Å; C38-Q145 PolarHBondContact SG-NE2 3.46Å; C38-Q145 VanDerWaalsContact SG-NE2 3.44Å
39D94.6Very high93.2Very high106 Ų10684.5 Ų84.557%0.56740%0.397SS*.THydrogen-bonded Turntrans-92.25.6179.761.2-35.3000113.5F37 W41F37-D39 WeakPolarHBondContact CB-OD1 3.32Å; F37-D39 PolarHBondContact O-N 3.26Å; D39-W41 PolarHBondContact O-N 3.12Å; D39-W41 PolarHBondContact O-NE1 2.85Å
40D96.4Very high93.5Very high54 Ų5477.3 Ų77.329%0.28937%0.372SS..  trans-72.3100.6174.1-172.8-5.1000110.9F37 S42 I43F37-D40 HydrophobicContact CB-CB 4.43Å; F37-D40 WeakPolarHBondContact O-CB 3.27Å; F37-D40 PolarHBondContact O-N 2.94Å; D40-S42 VanDerWaalsContact C-N 3.27Å; D40-S42 PolarHBondContact O-N 3.07Å; D40-S42 WeakPolarHBondContact OD1-CA 3.38Å; D40-S42 WeakPolarHBondContact OD1-CB 3.44Å; D40-S42 PolarHBondContact OD1-N 3.43Å; D40-S42 PolarHBondContact OD1-OG 3.23Å; D40-S42 PolarHBondContact OD2-OG 2.67Å; D40-I43 HydrophobicContact CB-CD1 4.15Å; D40-I43 HydrophobicContact CB-CG1 4.02Å; D40-I43 VanDerWaalsContact O-CG1 3.24Å; D40-I43 WeakPolarHBondContact O-CG1 3.13Å
41W95.4Very high94.1Very high192 Ų19279 Ų7973%0.72738%0.375SS*.G310 helixtrans-72-20.5176.6-58.193.8000113.1D39 I43 K44D39-W41 PolarHBondContact O-N 3.12Å; D39-W41 PolarHBondContact O-NE1 2.85Å; W41-I43 PolarHBondContact O-N 3.04Å; W41-I43 VanDerWaalsContact O-N 3.13Å; W41-K44 HydrophobicContact CE3-CD 4.09Å; W41-K44 HydrophobicContact CZ3-CD 4.5Å; W41-K44 PolarHBondContact O-N 2.65Å
42S97.3Very high94.5Very high39 Ų3978.8 Ų78.827%0.27337%0.371SS..G310 helixtrans-67-17.2-175.3780000113.1D40 P127 H222D40-S42 VanDerWaalsContact C-N 3.27Å; D40-S42 PolarHBondContact O-N 3.07Å; D40-S42 WeakPolarHBondContact OD1-CA 3.38Å; D40-S42 WeakPolarHBondContact OD1-CB 3.44Å; D40-S42 PolarHBondContact OD1-N 3.43Å; D40-S42 PolarHBondContact OD1-OG 3.23Å; D40-S42 PolarHBondContact OD2-OG 2.67Å; S42-P127 WeakPolarHBondContact O-CA 3.04Å; S42-P127 WeakPolarHBondContact O-CB 3.38Å; S42-H222 PolarHBondContact O-CE1 3.23Å; S42-H222 PolarHBondContact OG-CE1 3.42Å
43I97.2Very high95.1Very high3 Ų376.3 Ų76.32%0.01536%0.364CS..G310 helixtrans-108.25-178.457.3166.7000113.9F36 D40 W41 L125 P127 F129 W130F36-I43 HydrophobicContact CB-CD1 3.74Å; F36-I43 HydrophobicContact CD2-CD1 4.21Å; F36-I43 HydrophobicContact CG-CD1 4.1Å; D40-I43 HydrophobicContact CB-CD1 4.15Å; D40-I43 HydrophobicContact CB-CG1 4.02Å; D40-I43 VanDerWaalsContact O-CG1 3.24Å; D40-I43 WeakPolarHBondContact O-CG1 3.13Å; W41-I43 PolarHBondContact O-N 3.04Å; W41-I43 VanDerWaalsContact O-N 3.13Å; I43-L125 HydrophobicContact CD1-CD1 3.97Å; I43-L125 HydrophobicContact CG2-CB 3.86Å; I43-P127 CarbonylContact C-O 3.31Å; I43-P127 VanDerWaalsContact CA-O 3.3Å; I43-P127 WeakPolarHBondContact CA-O 3.36Å; I43-F129 HydrophobicContact CB-CB 4.2Å; I43-F129 HydrophobicContact CD1-CD1 4.04Å; I43-F129 PolarHBondContact O-N 3.41Å; I43-W130 PolarHBondContact O-N 3.45Å
44K96.7Very high95.6Very high75 Ų7574.6 Ų74.633%0.32636%0.361SS..  trans-103.913-174.7-67.7-178.1-175.6179.80114.6C38 W41 P127 W130C38-K44 VanDerWaalsContact O-CE 3.29Å; C38-K44 WeakPolarHBondContact O-CE 3.44Å; C38-K44 PolarHBondContact O-NZ 3.07Å; W41-K44 HydrophobicContact CE3-CD 4.09Å; W41-K44 HydrophobicContact CZ3-CD 4.5Å; W41-K44 PolarHBondContact O-N 2.65Å; K44-P127 PolarHBondContact N-O 2.68Å; K44-W130 HydrophobicContact CG-CB 4.39Å; K44-W130 VanDerWaalsContact CG-CD1 3.41Å; K44-W130 HydrophobicContact CG-CD2 4.27Å; K44-W130 HydrophobicContact CG-CG 3.78Å
45Y97.8Very high96Very high121 Ų12174.5 Ų74.548%0.47537%0.372SS..PPolyproline II helixtrans-71.4154.3177.9-72.9-88.4000111.5P127 H128 H219Y45-P127 WeakPolarHBondContact CB-O 3.38Å; Y45-P127 HydrophobicContact CD2-CB 3.94Å; Y45-P127 HydrophobicContact CG-CB 4.48Å; Y45-P127 PolarHBondContact N-O 3.37Å; Y45-H128 VanDerWaalsContact O-CA 3.28Å; Y45-H128 WeakPolarHBondContact O-CA 3.49Å; Y45-H219 WeakPolarHBondContact CB-ND1 3.4Å; Y45-H219 AromaticContact CD1-CE1 3.67Å; Y45-H219 AromaticContact CD1-NE2 3.99Å
46P97.5Very high96.3Very high68 Ų6875.4 Ų75.444%0.44238%0.375SS..PPolyproline II helixtrans-68.8147.4174.728.7-35.4000111.1H219P46-H219 PolarHBondContact O-ND1 3.2Å
47Y97.2Very high96.4Very high75 Ų7575.5 Ų75.529%0.29438%0.376SS..PPolyproline II helixtrans-64.9137.5168.4177.7-101.5000110.1H128 D131 I132 L157 Y220Y47-H128 AromaticContact CD2-CD2 3.76Å; Y47-D131 VanDerWaalsContact CB-OD2 3.25Å; Y47-D131 WeakPolarHBondContact CB-OD2 3.14Å; Y47-D131 PolarHBondContact N-OD2 2.69Å; Y47-I132 HydrophobicContact CD1-CD1 4.32Å; Y47-I132 HydrophobicContact CD2-CD1 3.79Å; Y47-I132 HydrophobicContact CD2-CG1 3.97Å; Y47-I132 HydrophobicContact CE2-CD1 4.37Å; Y47-I132 HydrophobicContact CG-CD1 3.75Å; Y47-I132 HydrophobicContact CG-CG1 4.27Å; Y47-L157 HydrophobicContact CE2-CD2 4.16Å; Y47-Y220 WeakPolarHBondContact CE2-OH 3.29Å; Y47-Y220 PolarHBondContact OH-OH 3.35Å
48K96.3Very high96.4Very high86 Ų8673.3 Ų73.337%0.37437%0.372SS..  trans-131.4153.9176.1-70176.3174170.50108.9T217 H219 Y220K48-T217 PolarHBondContact NZ-O 3.01Å; K48-H219 VanDerWaalsContact CE-CE1 3.43Å; K48-H219 WeakPolarHBondContact CE-CE1 3.29Å; K48-H219 PolarHBondContact NZ-CE1 3.33Å; K48-H219 VanDerWaalsContact NZ-CE1 3.28Å; K48-H219 PolarHBondContact NZ-NE2 2.85Å; K48-Y220 WeakPolarHBondContact O-CE2 3.22Å; K48-Y220 PolarHBondContact O-OH 3.29Å
49E94.9Very high96.5Very high165 Ų16577.4 Ų77.477%0.77139%0.393SS*.  trans-68.8151.9170.7-62.3-169.3164.100111.3T51E49-T51 PolarHBondContact O-N 3.43Å
50N93.8Very high96.7Very high44 Ų4474.6 Ų74.624%0.23538%0.379CS..  trans-71.3120177.5-81.1-66.9000111I52 Y220N50-I52 VanDerWaalsContact C-N 3.28Å; N50-I52 PolarHBondContact O-N 2.83Å; N50-Y220 HydrophobicContact CB-CE2 4.49Å; N50-Y220 WeakPolarHBondContact ND2-CE1 3.29Å; N50-Y220 PolarHBondContact ND2-OH 3.05Å; N50-Y220 WeakPolarHBondContact OD1-CD2 3.26Å; N50-Y220 WeakPolarHBondContact OD1-CE1 3.31Å; N50-Y220 WeakPolarHBondContact OD1-CE2 3.33Å; N50-Y220 VanDerWaalsContact OD1-CZ 3.22Å
51T97.6Very high96.7Very high74 Ų7472 Ų7245%0.45437%0.365SS..SBendtrans-62.1-39.2169.4-610000111.1E49 T214 D218E49-T51 PolarHBondContact O-N 3.43Å; T51-T214 HydrophobicContact CG2-CG2 3.71Å; T51-D218 VanDerWaalsContact CB-OD2 3.29Å; T51-D218 WeakPolarHBondContact CB-OD2 3.42Å; T51-D218 PolarHBondContact N-OD2 3.33Å; T51-D218 PolarHBondContact OG1-OD1 3.33Å; T51-D218 PolarHBondContact OG1-OD2 2.98Å
52I97.2Very high96.9Very high25 Ų2565.2 Ų65.213%0.12834%0.34CS..SBendtrans-118.7115.8173.9-57.1-64.3000107.7N50 V56 V57 H169 Y210 T214 R215N50-I52 VanDerWaalsContact C-N 3.28Å; N50-I52 PolarHBondContact O-N 2.83Å; I52-V56 HydrophobicContact CG2-CB 4.16Å; I52-V56 HydrophobicContact CG2-CG1 4.01Å; I52-V57 HydrophobicContact CG2-CB 4.05Å; I52-H169 PolarHBondContact O-NE2 3.3Å; I52-H169 VanDerWaalsContact O-NE2 3.1Å; I52-Y210 HydrophobicContact CD1-CE1 4.11Å; I52-T214 HydrophobicContact CG1-CG2 4.35Å; I52-R215 PolarHBondContact O-NH2 3.33Å
53T96.9Very high96.9Very high62 Ų6267.8 Ų67.838%0.3835%0.35SS..  trans-75.8159-179.9720000111.6V55 V56 V57T53-V55 PolarHBondContact O-N 3.34Å; T53-V55 VanDerWaalsContact O-N 3.17Å; T53-V56 PolarHBondContact O-N 3.45Å; T53-V56 VanDerWaalsContact O-N 3.08Å; T53-V56 WeakPolarHBondContact OG1-CG2 3.18Å; T53-V56 PolarHBondContact OG1-N 3.06Å; T53-V57 PolarHBondContact O-N 2.73Å
54N94.7Very high97Very high106 Ų10669.1 Ų69.157%0.56736%0.358SS*.Hα-helixtrans-52.5-37.1172.4-71.8-38.1000112.1V57 T58 H169N54-V57 WeakPolarHBondContact O-CG1 3.45Å; N54-T58 VanDerWaalsContact O-CB 3.27Å; N54-T58 WeakPolarHBondContact O-CB 3.29Å; N54-T58 PolarHBondContact O-N 3.31Å; N54-T58 VanDerWaalsContact O-N 3.09Å; N54-T58 PolarHBondContact O-OG1 3.39Å; N54-H169 PolarHBondContact OD1-CE1 2.91Å
55V96.4Very high97Very high99 Ų9965.6 Ų65.660%0.634%0.343SS*.Hα-helixtrans-67.3-47.8178.8178.40000110.4T53 T58 L59T53-V55 PolarHBondContact O-N 3.34Å; T53-V55 VanDerWaalsContact O-N 3.17Å; V55-T58 PolarHBondContact O-N 2.94Å; V55-L59 HydrophobicContact CG1-CD1 3.88Å; V55-L59 HydrophobicContact CG1-CG 4.3Å; V55-L59 WeakPolarHBondContact O-CG 3.29Å; V55-L59 PolarHBondContact O-N 2.89Å
56V97.5Very high97.1Very high66 Ų6662 Ų6240%0.433%0.332SS..Hα-helixtrans-62-49.5-179.2172.90000110.8I52 T53 T58 L59 V60I52-V56 HydrophobicContact CG2-CB 4.16Å; I52-V56 HydrophobicContact CG2-CG1 4.01Å; T53-V56 PolarHBondContact O-N 3.45Å; T53-V56 VanDerWaalsContact O-N 3.08Å; T53-V56 WeakPolarHBondContact OG1-CG2 3.18Å; T53-V56 PolarHBondContact OG1-N 3.06Å; V56-T58 VanDerWaalsContact C-N 3.26Å; V56-T58 PolarHBondContact O-N 3.44Å; V56-L59 PolarHBondContact O-N 3.09Å; V56-V60 HydrophobicContact CG1-CG2 4.26Å; V56-V60 WeakPolarHBondContact O-CB 3.43Å; V56-V60 VanDerWaalsContact O-CG2 3.3Å; V56-V60 WeakPolarHBondContact O-CG2 3.31Å; V56-V60 PolarHBondContact O-N 2.93Å
57V98Very high97.1Very high6 Ų662.3 Ų62.34%0.03633%0.333CS..Hα-helixtrans-62.9-36.5179.573.10000111.7I52 T53 N54 S61 H169 A173 I211I52-V57 HydrophobicContact CG2-CB 4.05Å; T53-V57 PolarHBondContact O-N 2.73Å; N54-V57 WeakPolarHBondContact O-CG1 3.45Å; V57-S61 WeakPolarHBondContact O-CB 3.39Å; V57-S61 PolarHBondContact O-N 3.25Å; V57-S61 PolarHBondContact O-OG 3.32Å; V57-H169 WeakPolarHBondContact CG1-CD2 3.44Å; V57-H169 HydrophobicContact CG2-CB 4.3Å; V57-A173 HydrophobicContact CG2-CB 4.13Å; V57-I211 HydrophobicContact CG2-CD1 4.5Å; V57-I211 HydrophobicContact CG2-CG2 4.23Å
58T96.3Very high97.2Very high65 Ų6560.1 Ų60.140%0.39933%0.327SS..Hα-helixtrans-65.6-51.1177.5-59.50000110.2N54 V55 V56 V60 S61 Y62N54-T58 VanDerWaalsContact O-CB 3.27Å; N54-T58 WeakPolarHBondContact O-CB 3.29Å; N54-T58 PolarHBondContact O-N 3.31Å; N54-T58 VanDerWaalsContact O-N 3.09Å; N54-T58 PolarHBondContact O-OG1 3.39Å; V55-T58 PolarHBondContact O-N 2.94Å; V56-T58 VanDerWaalsContact C-N 3.26Å; V56-T58 PolarHBondContact O-N 3.44Å; T58-V60 PolarHBondContact O-N 3.21Å; T58-S61 PolarHBondContact O-N 2.99Å; T58-Y62 HydrophobicContact CG2-CD2 3.94Å; T58-Y62 HydrophobicContact CG2-CE2 4.08Å; T58-Y62 VanDerWaalsContact O-CD2 3.29Å; T58-Y62 WeakPolarHBondContact O-CD2 3.43Å; T58-Y62 PolarHBondContact O-N 3.49Å
59L97.6Very high97.3Very high95 Ų9556.1 Ų56.150%0.49731%0.309SS..Hα-helixtrans-60-47.6179-69.6176.2000111.7V55 V56 S61 Y62 L63V55-L59 HydrophobicContact CG1-CD1 3.88Å; V55-L59 HydrophobicContact CG1-CG 4.3Å; V55-L59 WeakPolarHBondContact O-CG 3.29Å; V55-L59 PolarHBondContact O-N 2.89Å; V56-L59 PolarHBondContact O-N 3.09Å; L59-S61 VanDerWaalsContact C-N 3.31Å; L59-S61 PolarHBondContact O-N 2.97Å; L59-Y62 PolarHBondContact O-N 2.95Å; L59-L63 HydrophobicContact CB-CD1 4.42Å; L59-L63 HydrophobicContact CD2-CD1 4.47Å; L59-L63 WeakPolarHBondContact O-CB 3.34Å; L59-L63 VanDerWaalsContact O-CG 3.24Å; L59-L63 WeakPolarHBondContact O-CG 3.4Å; L59-L63 PolarHBondContact O-N 3.47Å
60V97.3Very high97.4Very high46 Ų4650.5 Ų50.528%0.27929%0.288SS..Hα-helixtrans-58.6-45.7176.6170.80000110.5V56 T58 T64V56-V60 HydrophobicContact CG1-CG2 4.26Å; V56-V60 WeakPolarHBondContact O-CB 3.43Å; V56-V60 VanDerWaalsContact O-CG2 3.3Å; V56-V60 WeakPolarHBondContact O-CG2 3.31Å; V56-V60 PolarHBondContact O-N 2.93Å; T58-V60 PolarHBondContact O-N 3.21Å; V60-T64 WeakPolarHBondContact O-CB 3.29Å; V60-T64 PolarHBondContact O-N 3.43Å; V60-T64 VanDerWaalsContact O-N 3.09Å; V60-T64 PolarHBondContact O-OG1 2.96Å
61S98.1Very high97.5Very high0 Ų053 Ų530%030%0.301CS..Hα-helixtrans-69.6-35.9-174.7-59.30000113.4V57 T58 L59 P65 S176V57-S61 WeakPolarHBondContact O-CB 3.39Å; V57-S61 PolarHBondContact O-N 3.25Å; V57-S61 PolarHBondContact O-OG 3.32Å; T58-S61 PolarHBondContact O-N 2.99Å; L59-S61 VanDerWaalsContact C-N 3.31Å; L59-S61 PolarHBondContact O-N 2.97Å; S61-P65 WeakPolarHBondContact O-CD 3.36Å; S61-P65 WeakPolarHBondContact O-CG 3.49Å; S61-S176 WeakPolarHBondContact CA-OG 3.23Å; S61-S176 WeakPolarHBondContact O-CB 3.47Å; S61-S176 PolarHBondContact O-OG 3.33Å
62Y97.9Very high97.5Very high49 Ų4949.8 Ų49.819%0.19228%0.281CS..Hα-helixtrans-85.5-40179-77.9-100.9000112.3H20 T58 L59 L66 L105 L108 T172H20-Y62 PolarHBondContact CD2-OH 3.34Å; H20-Y62 AromaticContact NE2-CE1 3.6Å; H20-Y62 AromaticContact NE2-CZ 3.55Å; H20-Y62 PolarHBondContact NE2-OH 3.38Å; T58-Y62 HydrophobicContact CG2-CD2 3.94Å; T58-Y62 HydrophobicContact CG2-CE2 4.08Å; T58-Y62 VanDerWaalsContact O-CD2 3.29Å; T58-Y62 WeakPolarHBondContact O-CD2 3.43Å; T58-Y62 PolarHBondContact O-N 3.49Å; L59-Y62 PolarHBondContact O-N 2.95Å; Y62-L66 WeakPolarHBondContact O-CD1 3.48Å; Y62-L66 WeakPolarHBondContact O-CG 3.37Å; Y62-L105 HydrophobicContact CD1-CD2 3.83Å; Y62-L105 HydrophobicContact CE1-CD2 4.02Å; Y62-L108 HydrophobicContact CD1-CD1 3.91Å; Y62-L108 HydrophobicContact CD2-CD1 4.34Å; Y62-L108 HydrophobicContact CE1-CB 4.32Å; Y62-L108 HydrophobicContact CE1-CD1 4Å; Y62-L108 HydrophobicContact CE2-CD1 4.43Å; Y62-L108 HydrophobicContact CE2-CD2 4.5Å; Y62-L108 HydrophobicContact CG-CD1 4.09Å; Y62-T172 HydrophobicContact CE2-CG2 4.5Å
63L98.3Very high97.4Very high94 Ų9448.7 Ų48.749%0.49228%0.275SS..Hα-helixtrans-75.3-38.7-175.9-63.2179.1000112.6L59 L66 V67L59-L63 HydrophobicContact CB-CD1 4.42Å; L59-L63 HydrophobicContact CD2-CD1 4.47Å; L59-L63 WeakPolarHBondContact O-CB 3.34Å; L59-L63 VanDerWaalsContact O-CG 3.24Å; L59-L63 WeakPolarHBondContact O-CG 3.4Å; L59-L63 PolarHBondContact O-N 3.47Å; L63-L66 PolarHBondContact O-N 2.97Å; L63-V67 VanDerWaalsContact O-CB 3.29Å; L63-V67 WeakPolarHBondContact O-CB 3.36Å; L63-V67 VanDerWaalsContact O-CG2 3.29Å; L63-V67 WeakPolarHBondContact O-CG2 3.44Å; L63-V67 PolarHBondContact O-N 3.33Å
64T98.5Very high97.3Very high30 Ų3049.2 Ų49.218%0.18428%0.275CS..Hα-helixtrans-54.4-54.5-176.3-60.10000113.2V60 T68 L177 T180 L204V60-T64 WeakPolarHBondContact O-CB 3.29Å; V60-T64 PolarHBondContact O-N 3.43Å; V60-T64 VanDerWaalsContact O-N 3.09Å; V60-T64 PolarHBondContact O-OG1 2.96Å; T64-T68 WeakPolarHBondContact O-CB 3.38Å; T64-T68 PolarHBondContact O-N 2.94Å; T64-T68 PolarHBondContact O-OG1 2.89Å; T64-L177 HydrophobicContact CG2-CD2 3.95Å; T64-T180 HydrophobicContact CG2-CG2 4.22Å; T64-L204 HydrophobicContact CG2-CD2 3.69Å
65P98.2Very high97.3Very high1 Ų147.8 Ų47.81%0.00627%0.267CS..Hα-helixtrans-65.7-45.8179.622.8-32.2000111.2S61 V67 T68 I69 A104 S176 F179 T180S61-P65 WeakPolarHBondContact O-CD 3.36Å; S61-P65 WeakPolarHBondContact O-CG 3.49Å; P65-V67 PolarHBondContact O-N 2.93Å; P65-T68 PolarHBondContact O-N 3.36Å; P65-I69 HydrophobicContact CB-CD1 4.45Å; P65-I69 WeakPolarHBondContact O-CB 3.25Å; P65-I69 VanDerWaalsContact O-CD1 3.26Å; P65-I69 WeakPolarHBondContact O-CD1 3.35Å; P65-I69 WeakPolarHBondContact O-CG1 3.46Å; P65-I69 PolarHBondContact O-N 2.93Å; P65-A104 HydrophobicContact CB-CB 4.03Å; P65-A104 HydrophobicContact CG-CB 4.44Å; P65-S176 VanDerWaalsContact CD-OG 3.25Å; P65-S176 WeakPolarHBondContact CD-OG 3.48Å; P65-F179 HydrophobicContact CB-CD1 4.46Å; P65-T180 WeakPolarHBondContact CA-OG1 3.47Å; P65-T180 WeakPolarHBondContact CB-OG1 3.33Å
66L98.3Very high97.2Very high47 Ų4744.4 Ų44.425%0.24625%0.246CC..Hα-helixtrans-62.7-45.8-175.6-62.4178.9000112.2Y62 L63 C70 C101 L105Y62-L66 WeakPolarHBondContact O-CD1 3.48Å; Y62-L66 WeakPolarHBondContact O-CG 3.37Å; L63-L66 PolarHBondContact O-N 2.97Å; L66-C70 WeakPolarHBondContact O-CB 3.48Å; L66-C70 PolarHBondContact O-N 3.04Å; L66-C70 PolarHBondContact O-SG 3.44Å; L66-C101 HydrophobicContact CD2-CB 3.74Å; L66-C101 VanDerWaalsContact CD2-SG 3.54Å; L66-L105 HydrophobicContact CD2-CG 4.39Å
67V98.4Very high96.9Very high74 Ų7441.2 Ų41.245%0.44823%0.227SC..Hα-helixtrans-67.1-44.5177.4173.70000110.2L63 P65 I69 C70 L71L63-V67 VanDerWaalsContact O-CB 3.29Å; L63-V67 WeakPolarHBondContact O-CB 3.36Å; L63-V67 VanDerWaalsContact O-CG2 3.29Å; L63-V67 WeakPolarHBondContact O-CG2 3.44Å; L63-V67 PolarHBondContact O-N 3.33Å; P65-V67 PolarHBondContact O-N 2.93Å; V67-I69 VanDerWaalsContact C-N 3.35Å; V67-I69 PolarHBondContact O-N 3.4Å; V67-C70 PolarHBondContact O-N 3.47Å; V67-L71 HydrophobicContact CG1-CD1 3.68Å; V67-L71 HydrophobicContact CG1-CG 4.14Å; V67-L71 WeakPolarHBondContact O-CB 3.49Å; V67-L71 VanDerWaalsContact O-CG 3.27Å; V67-L71 WeakPolarHBondContact O-CG 3.46Å; V67-L71 PolarHBondContact O-N 3.2Å
68T98.4Very high96.7Very high29 Ų2944 Ų4418%0.17824%0.244CC..Hα-helixtrans-60.8-44.4179-58.70000111.4T64 P65 L71 V72 T180 Y183 L184T64-T68 WeakPolarHBondContact O-CB 3.38Å; T64-T68 PolarHBondContact O-N 2.94Å; T64-T68 PolarHBondContact O-OG1 2.89Å; P65-T68 PolarHBondContact O-N 3.36Å; T68-L71 PolarHBondContact O-N 3.11Å; T68-V72 HydrophobicContact CG2-CG2 4.1Å; T68-V72 WeakPolarHBondContact O-CB 3.48Å; T68-V72 VanDerWaalsContact O-CG2 3.23Å; T68-V72 WeakPolarHBondContact O-CG2 3.39Å; T68-V72 PolarHBondContact O-N 3.38Å; T68-T180 HydrophobicContact CG2-CG2 3.82Å; T68-Y183 HydrophobicContact CG2-CD1 4.22Å; T68-Y183 HydrophobicContact CG2-CE1 4.25Å; T68-L184 HydrophobicContact CG2-CD2 3.64Å; T68-L184 HydrophobicContact CG2-CG 4.1Å
69I98.1Very high96.5Very high1 Ų144.3 Ų44.31%0.00524%0.243CC..Hα-helixtrans-59.2-54.8176.5-68.7158.2000110P65 V67 L71 V72 E73 I97 F100 A104 F179 Y183P65-I69 HydrophobicContact CB-CD1 4.45Å; P65-I69 WeakPolarHBondContact O-CB 3.25Å; P65-I69 VanDerWaalsContact O-CD1 3.26Å; P65-I69 WeakPolarHBondContact O-CD1 3.35Å; P65-I69 WeakPolarHBondContact O-CG1 3.46Å; P65-I69 PolarHBondContact O-N 2.93Å; V67-I69 VanDerWaalsContact C-N 3.35Å; V67-I69 PolarHBondContact O-N 3.4Å; I69-L71 VanDerWaalsContact C-N 3.32Å; I69-L71 PolarHBondContact O-N 2.99Å; I69-V72 PolarHBondContact O-N 3.19Å; I69-E73 HydrophobicContact CG2-CG 4.21Å; I69-E73 WeakPolarHBondContact O-CB 3.3Å; I69-E73 VanDerWaalsContact O-CG 3.23Å; I69-E73 WeakPolarHBondContact O-CG 3.42Å; I69-E73 PolarHBondContact O-N 2.84Å; I69-I97 HydrophobicContact CG2-CB 4.49Å; I69-I97 HydrophobicContact CG2-CG2 4.34Å; I69-F100 HydrophobicContact CD1-CB 3.83Å; I69-F100 HydrophobicContact CG1-CB 4.05Å; I69-F100 HydrophobicContact CG2-CB 3.87Å; I69-A104 HydrophobicContact CD1-CB 4.36Å; I69-F179 HydrophobicContact CD1-CE1 4.17Å; I69-Y183 HydrophobicContact CB-CE1 4.36Å; I69-Y183 HydrophobicContact CG1-CD1 4.09Å; I69-Y183 HydrophobicContact CG1-CD2 4.11Å; I69-Y183 HydrophobicContact CG1-CE1 3.91Å; I69-Y183 HydrophobicContact CG1-CE2 3.91Å; I69-Y183 HydrophobicContact CG1-CG 4.2Å; I69-Y183 HydrophobicContact CG2-CE2 4.46Å; I69-Y183 PolarHBondContact O-OH 3.01Å
70C97.5Very high96.2Very high47 Ų4743.1 Ų43.132%0.31823%0.234SC..Hα-helixtrans-55.9-46.8179.8-72.70000112L66 V67 I74L66-C70 WeakPolarHBondContact O-CB 3.48Å; L66-C70 PolarHBondContact O-N 3.04Å; L66-C70 PolarHBondContact O-SG 3.44Å; V67-C70 PolarHBondContact O-N 3.47Å; C70-I74 WeakPolarHBondContact O-CB 3.14Å; C70-I74 VanDerWaalsContact O-CD1 3.32Å; C70-I74 WeakPolarHBondContact O-CD1 3.49Å; C70-I74 WeakPolarHBondContact O-CG1 3.39Å; C70-I74 PolarHBondContact O-N 2.95Å
71L97.3Very high96Very high96 Ų9647 Ų4750%0.50324%0.243SC..Hα-helixtrans-64-49.3-179.8-70.7176.4000112.1V67 T68 I69 E73 I74 I75V67-L71 HydrophobicContact CG1-CD1 3.68Å; V67-L71 HydrophobicContact CG1-CG 4.14Å; V67-L71 WeakPolarHBondContact O-CB 3.49Å; V67-L71 VanDerWaalsContact O-CG 3.27Å; V67-L71 WeakPolarHBondContact O-CG 3.46Å; V67-L71 PolarHBondContact O-N 3.2Å; T68-L71 PolarHBondContact O-N 3.11Å; I69-L71 VanDerWaalsContact C-N 3.32Å; I69-L71 PolarHBondContact O-N 2.99Å; L71-E73 PolarHBondContact O-N 2.79Å; L71-I74 PolarHBondContact O-N 3.33Å; L71-I75 WeakPolarHBondContact O-CB 3.34Å; L71-I75 WeakPolarHBondContact O-CD1 3.12Å; L71-I75 WeakPolarHBondContact O-CG1 3.26Å; L71-I75 PolarHBondContact O-N 2.89Å
72V96.9Very high95.7Very high8 Ų851.6 Ų51.65%0.04828%0.275CS..Hα-helixtrans-64.8-41.6-177.6170.80000111.2T68 I69 I75 T76 Y183 L184 R187 L188T68-V72 HydrophobicContact CG2-CG2 4.1Å; T68-V72 WeakPolarHBondContact O-CB 3.48Å; T68-V72 VanDerWaalsContact O-CG2 3.23Å; T68-V72 WeakPolarHBondContact O-CG2 3.39Å; T68-V72 PolarHBondContact O-N 3.38Å; I69-V72 PolarHBondContact O-N 3.19Å; V72-I75 PolarHBondContact O-N 3.48Å; V72-T76 VanDerWaalsContact O-CB 3.29Å; V72-T76 WeakPolarHBondContact O-CB 3.25Å; V72-T76 PolarHBondContact O-N 2.85Å; V72-T76 PolarHBondContact O-OG1 3.36Å; V72-Y183 HydrophobicContact CB-CE1 3.84Å; V72-Y183 WeakPolarHBondContact CB-OH 3.46Å; V72-Y183 HydrophobicContact CG1-CE1 4.02Å; V72-Y183 WeakPolarHBondContact CG1-OH 3.34Å; V72-Y183 HydrophobicContact CG2-CE1 4.06Å; V72-L184 HydrophobicContact CG2-CD2 4.01Å; V72-R187 HydrophobicContact CG1-CB 4.1Å; V72-L188 HydrophobicContact CG1-CB 4.34Å; V72-L188 HydrophobicContact CG1-CD1 4.25Å; V72-L188 HydrophobicContact CG2-CD1 4.22Å
73E95.6Very high95.4Very high1 Ų154.3 Ų54.31%0.00530%0.296CS..Hα-helixtrans-67.8-36.4177.9-65.6-54.2140.200112.9I69 L71 A77 S93 I97 Y183 R187I69-E73 HydrophobicContact CG2-CG 4.21Å; I69-E73 WeakPolarHBondContact O-CB 3.3Å; I69-E73 VanDerWaalsContact O-CG 3.23Å; I69-E73 WeakPolarHBondContact O-CG 3.42Å; I69-E73 PolarHBondContact O-N 2.84Å; L71-E73 PolarHBondContact O-N 2.79Å; E73-A77 WeakPolarHBondContact O-CB 3.34Å; E73-A77 PolarHBondContact O-N 3.09Å; E73-S93 PolarHBondContact O-OG 3.28Å; E73-I97 HydrophobicContact CB-CD1 3.85Å; E73-I97 HydrophobicContact CB-CG1 3.44Å; E73-I97 VanDerWaalsContact CB-CG1 3.44Å; E73-I97 HydrophobicContact CG-CD1 4.47Å; E73-I97 HydrophobicContact CG-CG1 3.52Å; E73-Y183 WeakPolarHBondContact CG-OH 3.41Å; E73-Y183 PolarHBondContact OE1-OH 3.48Å; E73-R187 VanDerWaalsContact CD-NH2 3.26Å; E73-R187 IonicContact OE1-CZ 2.95Å; E73-R187 IonicContact OE1-NE 3.74Å; E73-R187 IonicContact OE1-NH1 2.69Å; E73-R187 PolarHBondContact OE1-NH1 3.16Å; E73-R187 IonicContact OE1-NH2 3.07Å; E73-R187 PolarHBondContact OE1-NH2 3.47Å; E73-R187 VanDerWaalsContact OE1-NH2 3.07Å; E73-R187 IonicContact OE2-CZ 3.39Å; E73-R187 IonicContact OE2-NH1 3.37Å; E73-R187 PolarHBondContact OE2-NH1 3.41Å; E73-R187 IonicContact OE2-NH2 2.68Å; E73-R187 PolarHBondContact OE2-NH2 3.32Å
74I94.8Very high94.9Very high73 Ų7356.6 Ų56.637%0.37430%0.304SS..Hα-helixtrans-69.3-47.6174.9-70.1166.7000110.3C70 L71 T76 A77 V78C70-I74 WeakPolarHBondContact O-CB 3.14Å; C70-I74 VanDerWaalsContact O-CD1 3.32Å; C70-I74 WeakPolarHBondContact O-CD1 3.49Å; C70-I74 WeakPolarHBondContact O-CG1 3.39Å; C70-I74 PolarHBondContact O-N 2.95Å; L71-I74 PolarHBondContact O-N 3.33Å; I74-T76 VanDerWaalsContact C-N 3.29Å; I74-T76 PolarHBondContact O-N 2.64Å; I74-A77 WeakPolarHBondContact O-CB 3.25Å; I74-A77 PolarHBondContact O-N 3.32Å; I74-A77 VanDerWaalsContact O-N 3.17Å; I74-V78 HydrophobicContact CG2-CG2 4.41Å; I74-V78 WeakPolarHBondContact O-CG2 3.12Å; I74-V78 PolarHBondContact O-N 2.9Å
75I94.2Very high94.5Very high76 Ų7659.1 Ų59.139%0.3932%0.317SS..Hα-helixtrans-57.5-46.2176.7-71.4165.1000109.8L71 V72 A77 V78 L79L71-I75 WeakPolarHBondContact O-CB 3.34Å; L71-I75 WeakPolarHBondContact O-CD1 3.12Å; L71-I75 WeakPolarHBondContact O-CG1 3.26Å; L71-I75 PolarHBondContact O-N 2.89Å; V72-I75 PolarHBondContact O-N 3.48Å; I75-A77 VanDerWaalsContact C-N 3.34Å; I75-A77 PolarHBondContact O-N 3.21Å; I75-V78 PolarHBondContact O-N 3.4Å; I75-L79 HydrophobicContact CG2-CD1 3.83Å; I75-L79 HydrophobicContact CG2-CG 4.27Å; I75-L79 WeakPolarHBondContact O-CB 3.18Å; I75-L79 VanDerWaalsContact O-CG 3.3Å; I75-L79 WeakPolarHBondContact O-CG 3.2Å; I75-L79 PolarHBondContact O-N 3.42Å
76T93.1Very high94Very high28 Ų2867.1 Ų67.117%0.17235%0.351CS..Hα-helixtrans-60.1-43.6177.8-580000111.6V72 I74 L79 K80V72-T76 VanDerWaalsContact O-CB 3.29Å; V72-T76 WeakPolarHBondContact O-CB 3.25Å; V72-T76 PolarHBondContact O-N 2.85Å; V72-T76 PolarHBondContact O-OG1 3.36Å; I74-T76 VanDerWaalsContact C-N 3.29Å; I74-T76 PolarHBondContact O-N 2.64Å; T76-L79 PolarHBondContact O-N 3.2Å; T76-K80 HydrophobicContact CG2-CD 4.46Å; T76-K80 WeakPolarHBondContact O-CG 3.22Å; T76-K80 PolarHBondContact O-N 2.89Å
77A93.1Very high93.6Very high0 Ų071.6 Ų71.60%038%0.376CS..Hα-helixtrans-63.2-42.6176.900000112.8E73 I74 I75 R81 Y88 I90 S93E73-A77 WeakPolarHBondContact O-CB 3.34Å; E73-A77 PolarHBondContact O-N 3.09Å; I74-A77 WeakPolarHBondContact O-CB 3.25Å; I74-A77 PolarHBondContact O-N 3.32Å; I74-A77 VanDerWaalsContact O-N 3.17Å; I75-A77 VanDerWaalsContact C-N 3.34Å; I75-A77 PolarHBondContact O-N 3.21Å; A77-R81 WeakPolarHBondContact O-CB 3.25Å; A77-R81 PolarHBondContact O-N 3.44Å; A77-Y88 HydrophobicContact CB-CD1 4.2Å; A77-Y88 HydrophobicContact CB-CE1 3.82Å; A77-Y88 WeakPolarHBondContact O-CD1 3.19Å; A77-I90 HydrophobicContact CB-CB 4.38Å; A77-I90 HydrophobicContact CB-CG1 4.03Å; A77-I90 HydrophobicContact CB-CG2 4.43Å; A77-S93 WeakPolarHBondContact CB-OG 3.24Å
78V93.4Very high93.1Very high65 Ų6570.9 Ų70.939%0.39437%0.365SS..Hα-helixtrans-65-44.7178.1171.60000110.4I74 I75 R81 C82 I90I74-V78 HydrophobicContact CG2-CG2 4.41Å; I74-V78 WeakPolarHBondContact O-CG2 3.12Å; I74-V78 PolarHBondContact O-N 2.9Å; I75-V78 PolarHBondContact O-N 3.4Å; V78-R81 WeakPolarHBondContact O-CB 3.33Å; V78-R81 PolarHBondContact O-N 2.97Å; V78-R81 VanDerWaalsContact O-N 3.15Å; V78-C82 PolarHBondContact O-N 3.3Å; V78-C82 PolarHBondContact O-SG 2.91Å; V78-C82 VanDerWaalsContact O-SG 3.37Å; V78-I90 HydrophobicContact CG2-CD1 4.44Å
79L92.5Very high92.7Very high71 Ų7172.5 Ų72.537%0.37238%0.378SS..Hα-helixtrans-60.2-49.2177.1-71.1174.4000111.4I75 T76 R81 C82 T83 L190I75-L79 HydrophobicContact CG2-CD1 3.83Å; I75-L79 HydrophobicContact CG2-CG 4.27Å; I75-L79 WeakPolarHBondContact O-CB 3.18Å; I75-L79 VanDerWaalsContact O-CG 3.3Å; I75-L79 WeakPolarHBondContact O-CG 3.2Å; I75-L79 PolarHBondContact O-N 3.42Å; T76-L79 PolarHBondContact O-N 3.2Å; L79-R81 PolarHBondContact O-N 3.29Å; L79-C82 PolarHBondContact O-N 2.79Å; L79-T83 PolarHBondContact O-N 3.32Å; L79-T83 PolarHBondContact O-OG1 2.89Å; L79-L190 HydrophobicContact CD1-CD2 3.47Å; L79-L190 VanDerWaalsContact CD1-CD2 3.47Å
80K91.2Very high92.2Very high70 Ų7075.9 Ų75.930%0.30440%0.395SS..Hα-helixtrans-58.2-36.7174.9-73-175.2174.3-172.20112.6T76 C82 E84 N85 Y88T76-K80 HydrophobicContact CG2-CD 4.46Å; T76-K80 WeakPolarHBondContact O-CG 3.22Å; T76-K80 PolarHBondContact O-N 2.89Å; K80-C82 VanDerWaalsContact C-N 3.32Å; K80-C82 PolarHBondContact O-N 2.97Å; K80-E84 WeakPolarHBondContact O-CA 3.47Å; K80-E84 WeakPolarHBondContact O-CB 3.37Å; K80-E84 PolarHBondContact O-N 2.68Å; K80-N85 PolarHBondContact O-N 3.02Å; K80-Y88 HydrophobicContact CB-CD1 4.16Å; K80-Y88 HydrophobicContact CB-CD2 4.21Å; K80-Y88 HydrophobicContact CB-CE1 4.37Å; K80-Y88 HydrophobicContact CB-CE2 4.42Å; K80-Y88 HydrophobicContact CB-CG 4.09Å; K80-Y88 HydrophobicContact CD-CE1 4.42Å; K80-Y88 HydrophobicContact CD-CE2 3.98Å
81R92.8Very high91.9Very high127 Ų12781.3 Ų81.348%0.47941%0.413SS..Hα-helixtrans-63.7-38.9174.9-166.8178.3179.8-177.9-2.6112.4A77 V78 L79 N85 K86A77-R81 WeakPolarHBondContact O-CB 3.25Å; A77-R81 PolarHBondContact O-N 3.44Å; V78-R81 WeakPolarHBondContact O-CB 3.33Å; V78-R81 PolarHBondContact O-N 2.97Å; V78-R81 VanDerWaalsContact O-N 3.15Å; L79-R81 PolarHBondContact O-N 3.29Å; R81-N85 VanDerWaalsContact CA-O 3.29Å; R81-N85 WeakPolarHBondContact CA-O 3.49Å; R81-N85 CarbonylContact O-C 3.39Å; R81-K86 VanDerWaalsContact CG-O 3.28Å; R81-K86 WeakPolarHBondContact CG-O 3.25Å; R81-K86 PolarHBondContact NE-O 2.94Å; R81-K86 VanDerWaalsContact O-CA 3.27Å; R81-K86 WeakPolarHBondContact O-CA 3.4Å; R81-K86 PolarHBondContact O-N 3.16Å
82C91.3Very high91.5Very high97 Ų9778.5 Ų78.566%0.65541%0.407SS*.Hα-helixtrans-77.3-37.9179.8-68.40000113.2V78 L79 K80V78-C82 PolarHBondContact O-N 3.3Å; V78-C82 PolarHBondContact O-SG 2.91Å; V78-C82 VanDerWaalsContact O-SG 3.37Å; L79-C82 PolarHBondContact O-N 2.79Å; K80-C82 VanDerWaalsContact C-N 3.32Å; K80-C82 PolarHBondContact O-N 2.97Å
83T90.8Very high91.2Very high105 Ų10578.2 Ų78.264%0.64441%0.406SS*.Hα-helixtrans-100.3-35.5-169.760.20000114.3L79L79-T83 PolarHBondContact O-N 3.32Å; L79-T83 PolarHBondContact O-OG1 2.89Å
84E89.4Confident91Very high142 Ų14283 Ų8366%0.66443%0.431SS*.THydrogen-bonded Turntrans-107.5-58.4-171.6-64.5170.1-158.300111.5K80K80-E84 WeakPolarHBondContact O-CA 3.47Å; K80-E84 WeakPolarHBondContact O-CB 3.37Å; K80-E84 PolarHBondContact O-N 2.68Å
85N89.2Confident90.8Very high83 Ų8382.1 Ų82.144%0.44443%0.43SS..  trans-143.1111.6-173.8-178.9-6.6000111.3K80 R81 N87 Y88K80-N85 PolarHBondContact O-N 3.02Å; R81-N85 VanDerWaalsContact CA-O 3.29Å; R81-N85 WeakPolarHBondContact CA-O 3.49Å; R81-N85 CarbonylContact O-C 3.39Å; N85-N87 PolarHBondContact O-N 3.39Å; N85-N87 WeakPolarHBondContact OD1-CB 3.35Å; N85-N87 PolarHBondContact OD1-N 3.42Å; N85-Y88 WeakPolarHBondContact O-CB 3.33Å; N85-Y88 PolarHBondContact O-N 2.64Å
86K88.3Confident90.7Very high169 Ų16981.6 Ų81.674%0.73543%0.425SS*.THydrogen-bonded Turntrans-56.4-21.7178.7-70.9-172.4178.2-179.70114.7R81R81-K86 VanDerWaalsContact CG-O 3.28Å; R81-K86 WeakPolarHBondContact CG-O 3.25Å; R81-K86 PolarHBondContact NE-O 2.94Å; R81-K86 VanDerWaalsContact O-CA 3.27Å; R81-K86 WeakPolarHBondContact O-CA 3.4Å; R81-K86 PolarHBondContact O-N 3.16Å
87N89.6Confident90.8Very high141 Ų14181.5 Ų81.575%0.75442%0.423SS*.THydrogen-bonded Turntrans-93.86176.8-64.4-27.1000113.4N85 S89N85-N87 PolarHBondContact O-N 3.39Å; N85-N87 WeakPolarHBondContact OD1-CB 3.35Å; N85-N87 PolarHBondContact OD1-N 3.42Å; N87-S89 PolarHBondContact O-N 3.35Å; N87-S89 VanDerWaalsContact O-N 3.14Å
88Y88.2Confident90.8Very high60 Ų6084.5 Ų84.524%0.23544%0.435CS..  trans-58120.1175.1-168.2-88000109.9A77 K80 N85A77-Y88 HydrophobicContact CB-CD1 4.2Å; A77-Y88 HydrophobicContact CB-CE1 3.82Å; A77-Y88 WeakPolarHBondContact O-CD1 3.19Å; K80-Y88 HydrophobicContact CB-CD1 4.16Å; K80-Y88 HydrophobicContact CB-CD2 4.21Å; K80-Y88 HydrophobicContact CB-CE1 4.37Å; K80-Y88 HydrophobicContact CB-CE2 4.42Å; K80-Y88 HydrophobicContact CB-CG 4.09Å; K80-Y88 HydrophobicContact CD-CE1 4.42Å; K80-Y88 HydrophobicContact CD-CE2 3.98Å; N85-Y88 WeakPolarHBondContact O-CB 3.33Å; N85-Y88 PolarHBondContact O-N 2.64Å
89S89.7Confident90.8Very high63 Ų6381.4 Ų81.444%0.44142%0.416SS..  trans-90.7129.5-177.8-177.40000110.5N87 K91 G92N87-S89 PolarHBondContact O-N 3.35Å; N87-S89 VanDerWaalsContact O-N 3.14Å; S89-K91 PolarHBondContact O-N 3.32Å; S89-K91 VanDerWaalsContact O-N 3.09Å; S89-K91 WeakPolarHBondContact OG-CB 3.37Å; S89-K91 PolarHBondContact OG-N 2.97Å; S89-G92 PolarHBondContact O-N 3.46Å
90I88.2Confident90.9Very high72 Ų7278.2 Ų78.237%0.36940%0.399SS..G310 helixtrans-57.2-25172.2-60.3170.7000111.1A77 V78 G92 S93A77-I90 HydrophobicContact CB-CB 4.38Å; A77-I90 HydrophobicContact CB-CG1 4.03Å; A77-I90 HydrophobicContact CB-CG2 4.43Å; V78-I90 HydrophobicContact CG2-CD1 4.44Å; I90-G92 PolarHBondContact O-N 3.39Å; I90-G92 VanDerWaalsContact O-N 3.14Å; I90-S93 WeakPolarHBondContact O-CB 3.29Å; I90-S93 PolarHBondContact O-N 3.27Å
91K91Very high91.2Very high161 Ų16175.8 Ų75.870%0.739%0.391SS*.G310 helixtrans-59.1-25.4174.3-63.8-175178.1-179.10112.8S89 S93 L94S89-K91 PolarHBondContact O-N 3.32Å; S89-K91 VanDerWaalsContact O-N 3.09Å; S89-K91 WeakPolarHBondContact OG-CB 3.37Å; S89-K91 PolarHBondContact OG-N 2.97Å; K91-S93 PolarHBondContact O-N 3.24Å; K91-L94 HydrophobicContact CB-CD1 4.22Å; K91-L94 HydrophobicContact CG-CD1 4.35Å; K91-L94 WeakPolarHBondContact O-CB 3.33Å; K91-L94 PolarHBondContact O-N 2.96Å
92G88.1Confident91.3Very high36 Ų3670.1 Ų70.137%0.37137%0.37SS..G310 helixtrans-64.4-21.3173.600000113.8S89 I90 P95S89-G92 PolarHBondContact O-N 3.46Å; I90-G92 PolarHBondContact O-N 3.39Å; I90-G92 VanDerWaalsContact O-N 3.14Å; G92-P95 WeakPolarHBondContact O-CD 3.22Å
93S90.6Very high91.5Very high2 Ų265.5 Ų65.51%0.01434%0.339CS..G310 helixtrans-82.9-18.5175.7-63.20000113.7E73 A77 I90 K91 F96 I97E73-S93 PolarHBondContact O-OG 3.28Å; A77-S93 WeakPolarHBondContact CB-OG 3.24Å; I90-S93 WeakPolarHBondContact O-CB 3.29Å; I90-S93 PolarHBondContact O-N 3.27Å; K91-S93 PolarHBondContact O-N 3.24Å; S93-F96 PolarHBondContact O-N 3.39Å; S93-F96 VanDerWaalsContact O-N 3.09Å; S93-I97 WeakPolarHBondContact O-CG1 3.28Å; S93-I97 PolarHBondContact O-N 3.33Å
94L92.5Very high91.8Very high102 Ų10260.6 Ų60.653%0.53431%0.309SS..Hα-helixtrans-57.7-41.4-174.7-67.2173.4000113.8K91 F96 I97 Y98K91-L94 HydrophobicContact CB-CD1 4.22Å; K91-L94 HydrophobicContact CG-CD1 4.35Å; K91-L94 WeakPolarHBondContact O-CB 3.33Å; K91-L94 PolarHBondContact O-N 2.96Å; L94-F96 VanDerWaalsContact C-N 3.32Å; L94-F96 PolarHBondContact O-N 2.85Å; L94-I97 PolarHBondContact O-N 3.03Å; L94-Y98 WeakPolarHBondContact O-CB 3.11Å; L94-Y98 PolarHBondContact O-N 3.32Å
95P90Very high92.2Very high55 Ų5555.7 Ų55.736%0.35729%0.287SS..Hα-helixtrans-62.8-39176.5-22.334.6000112.4G92 Y98 D99G92-P95 WeakPolarHBondContact O-CD 3.22Å; P95-Y98 PolarHBondContact O-N 3.25Å; P95-D99 PolarHBondContact O-N 2.79Å
96F91.2Very high92.5Very high65 Ų6552.9 Ų52.929%0.28527%0.272SS..Hα-helixtrans-66.6-48.1176.6-63.6-81.1000111S93 L94 Y98 D99 F100 F249S93-F96 PolarHBondContact O-N 3.39Å; S93-F96 VanDerWaalsContact O-N 3.09Å; L94-F96 VanDerWaalsContact C-N 3.32Å; L94-F96 PolarHBondContact O-N 2.85Å; F96-Y98 PolarHBondContact O-N 3.46Å; F96-D99 PolarHBondContact O-N 2.97Å; F96-F100 HydrophobicContact CB-CD2 4.4Å; F96-F100 HydrophobicContact CD1-CE2 4.45Å; F96-F100 WeakPolarHBondContact O-CD2 3.22Å; F96-F100 PolarHBondContact O-N 3.48Å; F96-F249 AromaticContact CD1-CE1 3.84Å; F96-F249 HydrophobicContact CD1-CE1 3.84Å; F96-F249 HydrophobicContact CD1-CZ 4.26Å; F96-F249 HydrophobicContact CE1-CD1 4.49Å; F96-F249 AromaticContact CE1-CE1 3.89Å; F96-F249 HydrophobicContact CE1-CE1 3.89Å
97I94.9Very high92.9Very high25 Ų2544.9 Ų44.913%0.12824%0.237CC..Hα-helixtrans-52.7-48.5175.2-65.9170.2000109.8I69 E73 S93 L94 C101I69-I97 HydrophobicContact CG2-CB 4.49Å; I69-I97 HydrophobicContact CG2-CG2 4.34Å; E73-I97 HydrophobicContact CB-CD1 3.85Å; E73-I97 HydrophobicContact CB-CG1 3.44Å; E73-I97 VanDerWaalsContact CB-CG1 3.44Å; E73-I97 HydrophobicContact CG-CD1 4.47Å; E73-I97 HydrophobicContact CG-CG1 3.52Å; S93-I97 WeakPolarHBondContact O-CG1 3.28Å; S93-I97 PolarHBondContact O-N 3.33Å; L94-I97 PolarHBondContact O-N 3.03Å; I97-C101 WeakPolarHBondContact O-CB 3.17Å; I97-C101 PolarHBondContact O-N 3.42Å; I97-C101 PolarHBondContact O-SG 3.38Å
98Y94.1Very high93.3Very high64 Ų6438.3 Ų38.325%0.25120%0.202SC..Hα-helixtrans-57.6-54.4177.5175.9-91.5000112.2I9 D12 L94 P95 F96 F100 C101 V102I9-Y98 WeakPolarHBondContact CA-OH 3.47Å; I9-Y98 HydrophobicContact CG1-CE2 4.23Å; D12-Y98 WeakPolarHBondContact CB-OH 3.23Å; D12-Y98 PolarHBondContact OD2-OH 3.12Å; L94-Y98 WeakPolarHBondContact O-CB 3.11Å; L94-Y98 PolarHBondContact O-N 3.32Å; P95-Y98 PolarHBondContact O-N 3.25Å; F96-Y98 PolarHBondContact O-N 3.46Å; Y98-F100 PolarHBondContact O-N 3.44Å; Y98-C101 PolarHBondContact O-N 3.34Å; Y98-V102 HydrophobicContact CD1-CG2 4.34Å; Y98-V102 HydrophobicContact CD2-CG2 4.29Å; Y98-V102 HydrophobicContact CE1-CG2 3.89Å; Y98-V102 HydrophobicContact CE2-CG2 3.85Å; Y98-V102 WeakPolarHBondContact O-CG2 3.14Å; Y98-V102 PolarHBondContact O-N 2.83Å
99D92.9Very high93.7Very high0 Ų035.4 Ų35.40%019%0.191CC..Hα-helixtrans-61.7-45.3-174.9-58.2-40.8000111.8R8 P95 F96 V102 A103 L245 V248 R252R8-D99 IonicContact CZ-OD1 2.69Å; R8-D99 VanDerWaalsContact CZ-OD1 3.28Å; R8-D99 IonicContact NH1-OD1 3.52Å; R8-D99 PolarHBondContact NH1-OD1 2.83Å; R8-D99 IonicContact NH2-OD1 2.6Å; R8-D99 PolarHBondContact NH2-OD1 3.44Å; P95-D99 PolarHBondContact O-N 2.79Å; F96-D99 PolarHBondContact O-N 2.97Å; D99-V102 PolarHBondContact O-N 3.36Å; D99-A103 WeakPolarHBondContact O-CB 3.15Å; D99-A103 PolarHBondContact O-N 3.42Å; D99-L245 HydrophobicContact CB-CD2 3.93Å; D99-L245 WeakPolarHBondContact O-CD2 3.07Å; D99-V248 HydrophobicContact CB-CG1 4.39Å; D99-R252 IonicContact OD1-NH2 3.33Å; D99-R252 PolarHBondContact OD1-NH2 3.4Å; D99-R252 IonicContact OD2-CZ 3.28Å; D99-R252 IonicContact OD2-NH1 2.79Å; D99-R252 PolarHBondContact OD2-NH1 3.25Å; D99-R252 IonicContact OD2-NH2 2.68Å; D99-R252 PolarHBondContact OD2-NH2 3.37Å
100F95.6Very high94Very high3 Ų334.5 Ų34.51%0.01318%0.182CC..Hα-helixtrans-68-38.8179.3-78.3-76000112.1I69 F96 Y98 A103 A104 F179 Y183 R187 F241 L245 F249I69-F100 HydrophobicContact CD1-CB 3.83Å; I69-F100 HydrophobicContact CG1-CB 4.05Å; I69-F100 HydrophobicContact CG2-CB 3.87Å; F96-F100 HydrophobicContact CB-CD2 4.4Å; F96-F100 HydrophobicContact CD1-CE2 4.45Å; F96-F100 WeakPolarHBondContact O-CD2 3.22Å; F96-F100 PolarHBondContact O-N 3.48Å; Y98-F100 PolarHBondContact O-N 3.44Å; F100-A103 PolarHBondContact O-N 2.86Å; F100-A104 WeakPolarHBondContact O-CB 3.35Å; F100-A104 PolarHBondContact O-N 3.21Å; F100-F179 HydrophobicContact CD1-CZ 4.41Å; F100-F179 WeakPolarHBondContact O-CZ 3.39Å; F100-Y183 HydrophobicContact CB-CD2 4.36Å; F100-Y183 HydrophobicContact CB-CE2 4.15Å; F100-Y183 AromaticContact CD1-CD2 3.36Å; F100-Y183 HydrophobicContact CD1-CD2 3.36Å; F100-Y183 AromaticContact CD1-CE2 3.68Å; F100-Y183 HydrophobicContact CD1-CE2 3.68Å; F100-Y183 HydrophobicContact CD2-CD2 4.43Å; F100-Y183 AromaticContact CD2-CE2 3.9Å; F100-Y183 HydrophobicContact CD2-CE2 3.9Å; F100-Y183 AromaticContact CE1-CD2 3.64Å; F100-Y183 HydrophobicContact CE1-CD2 3.64Å; F100-Y183 AromaticContact CE1-CE2 3.99Å; F100-Y183 HydrophobicContact CE1-CE2 3.99Å; F100-Y183 HydrophobicContact CE2-CE2 4.31Å; F100-Y183 AromaticContact CG-CD2 3.8Å; F100-Y183 HydrophobicContact CG-CD2 3.8Å; F100-Y183 AromaticContact CG-CE2 3.62Å; F100-Y183 HydrophobicContact CG-CE2 3.62Å; F100-Y183 HydrophobicContact CZ-CD2 4.36Å; F100-Y183 HydrophobicContact CZ-CE2 4.33Å; F100-R187 HydrophobicContact CE1-CG 4.34Å; F100-R187 HydrophobicContact CE2-CG 4.26Å; F100-R187 HydrophobicContact CZ-CG 3.9Å; F100-F241 HydrophobicContact CD1-CE2 4.01Å; F100-F241 AromaticContact CE1-CE2 3.62Å; F100-F241 HydrophobicContact CE1-CE2 3.62Å; F100-F241 AromaticContact CE1-CZ 3.69Å; F100-F241 HydrophobicContact CE1-CZ 3.69Å; F100-L245 HydrophobicContact CD1-CD1 3.38Å; F100-L245 HydrophobicContact CD1-CD2 4.43Å; F100-L245 HydrophobicContact CE1-CD1 3.29Å; F100-L245 HydrophobicContact CG-CD1 4.32Å; F100-L245 HydrophobicContact CZ-CD1 4.1Å; F100-F249 HydrophobicContact CD2-CZ 4.44Å; F100-F249 HydrophobicContact CE2-CE2 4.11Å; F100-F249 AromaticContact CE2-CZ 3.48Å; F100-F249 HydrophobicContact CE2-CZ 3.48Å; F100-F249 VanDerWaalsContact CE2-CZ 3.48Å; F100-F249 AromaticContact CZ-CE2 3.74Å; F100-F249 HydrophobicContact CZ-CE2 3.74Å; F100-F249 AromaticContact CZ-CZ 3.62Å; F100-F249 HydrophobicContact CZ-CZ 3.62Å
101C96.5Very high94.4Very high19 Ų1931 Ų3113%0.12817%0.165CC..Hα-helixtrans-65.2-43.8176.1-74.90000111.4L66 I97 Y98 A104 L105L66-C101 HydrophobicContact CD2-CB 3.74Å; L66-C101 VanDerWaalsContact CD2-SG 3.54Å; I97-C101 WeakPolarHBondContact O-CB 3.17Å; I97-C101 PolarHBondContact O-N 3.42Å; I97-C101 PolarHBondContact O-SG 3.38Å; Y98-C101 PolarHBondContact O-N 3.34Å; C101-A104 PolarHBondContact O-N 3.02Å; C101-L105 WeakPolarHBondContact O-CB 3.18Å; C101-L105 VanDerWaalsContact O-CG 3.27Å; C101-L105 WeakPolarHBondContact O-CG 3.45Å; C101-L105 PolarHBondContact O-N 3.1Å
102V95.1Very high94.6Very high9 Ų925.7 Ų25.76%0.05514%0.142CC..Hα-helixtrans-61.2-45.9175.9168.70000110.8D12 I16 Y98 D99 A104 L105 I106 Y244D12-V102 HydrophobicContact CB-CG1 3.88Å; D12-V102 HydrophobicContact CB-CG2 4.39Å; I16-V102 HydrophobicContact CD1-CG1 4.44Å; Y98-V102 HydrophobicContact CD1-CG2 4.34Å; Y98-V102 HydrophobicContact CD2-CG2 4.29Å; Y98-V102 HydrophobicContact CE1-CG2 3.89Å; Y98-V102 HydrophobicContact CE2-CG2 3.85Å; Y98-V102 WeakPolarHBondContact O-CG2 3.14Å; Y98-V102 PolarHBondContact O-N 2.83Å; D99-V102 PolarHBondContact O-N 3.36Å; V102-A104 PolarHBondContact O-N 3.11Å; V102-L105 PolarHBondContact O-N 3.01Å; V102-I106 HydrophobicContact CG1-CD1 3.69Å; V102-I106 HydrophobicContact CG1-CG1 4.32Å; V102-I106 WeakPolarHBondContact O-CG1 3.43Å; V102-I106 PolarHBondContact O-N 3.12Å; V102-Y244 HydrophobicContact CG1-CE1 4.14Å; V102-Y244 WeakPolarHBondContact CG1-OH 3.33Å
103A95.7Very high95Very high0 Ų027 Ų270%014%0.137CC..Hα-helixtrans-59.1-47.7176.100000111.6D99 F100 L105 I106 S107 F179 S240 Y244 L245D99-A103 WeakPolarHBondContact O-CB 3.15Å; D99-A103 PolarHBondContact O-N 3.42Å; F100-A103 PolarHBondContact O-N 2.86Å; A103-L105 VanDerWaalsContact C-N 3.32Å; A103-L105 PolarHBondContact O-N 3.27Å; A103-I106 PolarHBondContact O-N 3.05Å; A103-S107 PolarHBondContact O-N 3.41Å; A103-F179 HydrophobicContact CB-CE2 3.79Å; A103-F179 HydrophobicContact CB-CZ 3.82Å; A103-S240 WeakPolarHBondContact CA-OG 3.35Å; A103-S240 PolarHBondContact O-OG 2.86Å; A103-Y244 HydrophobicContact CB-CD1 3.8Å; A103-Y244 HydrophobicContact CB-CE1 4.26Å; A103-L245 HydrophobicContact CB-CD1 4.08Å; A103-L245 HydrophobicContact CB-CD2 3.85Å; A103-L245 HydrophobicContact CB-CG 3.86Å
104A97.4Very high95.3Very high2 Ų230 Ų302%0.01715%0.153CC..Hα-helixtrans-57.4-44176.700000112.3P65 I69 F100 C101 V102 S107 L108 F179P65-A104 HydrophobicContact CB-CB 4.03Å; P65-A104 HydrophobicContact CG-CB 4.44Å; I69-A104 HydrophobicContact CD1-CB 4.36Å; F100-A104 WeakPolarHBondContact O-CB 3.35Å; F100-A104 PolarHBondContact O-N 3.21Å; C101-A104 PolarHBondContact O-N 3.02Å; V102-A104 PolarHBondContact O-N 3.11Å; A104-S107 WeakPolarHBondContact O-CB 3.49Å; A104-S107 PolarHBondContact O-N 2.83Å; A104-L108 WeakPolarHBondContact O-CG 3.42Å; A104-L108 PolarHBondContact O-N 2.9Å; A104-F179 HydrophobicContact CB-CD1 3.84Å; A104-F179 HydrophobicContact CB-CE1 3.64Å; A104-F179 HydrophobicContact CB-CE2 4.32Å; A104-F179 HydrophobicContact CB-CG 4.31Å; A104-F179 HydrophobicContact CB-CZ 3.89Å
105L97.1Very high95.5Very high39 Ų3925.3 Ų25.320%0.20413%0.128CC..Hα-helixtrans-69-35.4179-68.9173.1000112.8I16 Y62 L66 C101 V102 A103 G109I16-L105 HydrophobicContact CD1-CB 3.85Å; I16-L105 HydrophobicContact CD1-CD1 4.07Å; I16-L105 HydrophobicContact CG1-CB 4.15Å; I16-L105 HydrophobicContact CG2-CB 4.44Å; Y62-L105 HydrophobicContact CD1-CD2 3.83Å; Y62-L105 HydrophobicContact CE1-CD2 4.02Å; L66-L105 HydrophobicContact CD2-CG 4.39Å; C101-L105 WeakPolarHBondContact O-CB 3.18Å; C101-L105 VanDerWaalsContact O-CG 3.27Å; C101-L105 WeakPolarHBondContact O-CG 3.45Å; C101-L105 PolarHBondContact O-N 3.1Å; V102-L105 PolarHBondContact O-N 3.01Å; A103-L105 VanDerWaalsContact C-N 3.32Å; A103-L105 PolarHBondContact O-N 3.27Å; L105-G109 PolarHBondContact O-N 3.38Å
106I95Very high95.7Very high24 Ų2422.9 Ų22.912%0.12311%0.113CC..Hα-helixtrans-66.5-45.8172.9-71.2171.5000110I16 L19 V102 A103 L108 G109 T110 Y244I16-I106 HydrophobicContact CG1-CG1 4.03Å; L19-I106 HydrophobicContact CD1-CG2 4.43Å; V102-I106 HydrophobicContact CG1-CD1 3.69Å; V102-I106 HydrophobicContact CG1-CG1 4.32Å; V102-I106 WeakPolarHBondContact O-CG1 3.43Å; V102-I106 PolarHBondContact O-N 3.12Å; A103-I106 PolarHBondContact O-N 3.05Å; I106-L108 VanDerWaalsContact C-N 3.34Å; I106-L108 PolarHBondContact O-N 2.96Å; I106-G109 PolarHBondContact O-N 3.08Å; I106-T110 WeakPolarHBondContact O-CB 3.49Å; I106-T110 PolarHBondContact O-N 3.17Å; I106-T110 PolarHBondContact O-OG1 2.65Å; I106-Y244 HydrophobicContact CD1-CD2 4.32Å; I106-Y244 HydrophobicContact CD1-CE2 4.05Å
107S97.2Very high95.8Very high1 Ų123.1 Ų23.11%0.00712%0.116CC..Hα-helixtrans-55.5-49.1175.8-178.30000111.7A103 A104 T111 T236 S237A103-S107 PolarHBondContact O-N 3.41Å; A104-S107 WeakPolarHBondContact O-CB 3.49Å; A104-S107 PolarHBondContact O-N 2.83Å; S107-T111 WeakPolarHBondContact O-CB 3.43Å; S107-T111 PolarHBondContact O-N 2.6Å; S107-T111 PolarHBondContact O-OG1 2.87Å; S107-T236 PolarHBondContact OG-O 3.37Å; S107-S237 VanDerWaalsContact OG-CA 3.23Å; S107-S237 WeakPolarHBondContact OG-CA 3.3Å; S107-S237 PolarHBondContact OG-N 3.35Å
108L97.6Very high95.8Very high2 Ų223.5 Ų23.51%0.0112%0.12CC..Hα-helixtrans-61-48.1175.8-77.8165.5000111.8Y62 A104 I106 T111 F112 T172 A175Y62-L108 HydrophobicContact CD1-CD1 3.91Å; Y62-L108 HydrophobicContact CD2-CD1 4.34Å; Y62-L108 HydrophobicContact CE1-CB 4.32Å; Y62-L108 HydrophobicContact CE1-CD1 4Å; Y62-L108 HydrophobicContact CE2-CD1 4.43Å; Y62-L108 HydrophobicContact CE2-CD2 4.5Å; Y62-L108 HydrophobicContact CG-CD1 4.09Å; A104-L108 WeakPolarHBondContact O-CG 3.42Å; A104-L108 PolarHBondContact O-N 2.9Å; I106-L108 VanDerWaalsContact C-N 3.34Å; I106-L108 PolarHBondContact O-N 2.96Å; L108-T111 PolarHBondContact O-N 3.48Å; L108-F112 VanDerWaalsContact O-CB 3.25Å; L108-F112 WeakPolarHBondContact O-CB 3.45Å; L108-F112 PolarHBondContact O-N 2.99Å; L108-T172 HydrophobicContact CD2-CG2 3.77Å; L108-A175 HydrophobicContact CD2-CB 4.3Å
109G96.2Very high95.8Very high0 Ų021.5 Ų21.50%011%0.112CC..Hα-helixtrans-61-47.3179.800000112.9H20 L105 I106 T111 F112 F113H20-G109 WeakPolarHBondContact CE1-CA 3.5Å; L105-G109 PolarHBondContact O-N 3.38Å; I106-G109 PolarHBondContact O-N 3.08Å; G109-T111 VanDerWaalsContact C-N 3.34Å; G109-T111 PolarHBondContact O-N 3.33Å; G109-F112 PolarHBondContact O-N 3.21Å; G109-F113 VanDerWaalsContact O-CB 3.31Å; G109-F113 WeakPolarHBondContact O-CB 3.29Å; G109-F113 PolarHBondContact O-N 3.45Å
110T96.2Very high95.9Very high43 Ų4322.8 Ų22.826%0.26412%0.117SC..Hα-helixtrans-62.5-43.2177.2-58.20000111.1I106 F112 F113 L114 T236I106-T110 WeakPolarHBondContact O-CB 3.49Å; I106-T110 PolarHBondContact O-N 3.17Å; I106-T110 PolarHBondContact O-OG1 2.65Å; T110-F112 VanDerWaalsContact C-N 3.34Å; T110-F112 PolarHBondContact O-N 3.34Å; T110-F113 PolarHBondContact O-N 2.93Å; T110-L114 HydrophobicContact CG2-CD1 3.95Å; T110-L114 HydrophobicContact CG2-CG 4.44Å; T110-L114 WeakPolarHBondContact O-CB 3.5Å; T110-L114 WeakPolarHBondContact O-CG 3.33Å; T110-L114 PolarHBondContact O-N 3.47Å; T110-T236 HydrophobicContact CG2-CG2 3.99Å
111T97.5Very high95.7Very high0 Ų030.4 Ų30.40%015%0.147CC..Hα-helixtrans-61.1-46176.4-54.80000111.4S107 L108 G109 T115 S171 A175 L232 T236S107-T111 WeakPolarHBondContact O-CB 3.43Å; S107-T111 PolarHBondContact O-N 2.6Å; S107-T111 PolarHBondContact O-OG1 2.87Å; L108-T111 PolarHBondContact O-N 3.48Å; G109-T111 VanDerWaalsContact C-N 3.34Å; G109-T111 PolarHBondContact O-N 3.33Å; T111-T115 WeakPolarHBondContact O-CB 3.27Å; T111-T115 PolarHBondContact O-N 2.77Å; T111-T115 PolarHBondContact O-OG1 3.47Å; T111-S171 WeakPolarHBondContact CG2-O 3.44Å; T111-A175 HydrophobicContact CG2-CB 4.03Å; T111-A175 VanDerWaalsContact OG1-CB 3.29Å; T111-A175 WeakPolarHBondContact OG1-CB 3.39Å; T111-L232 HydrophobicContact CG2-CD2 4.29Å; T111-L232 HydrophobicContact CG2-CG 4.37Å; T111-T236 WeakPolarHBondContact OG1-CB 3.11Å; T111-T236 PolarHBondContact OG1-OG1 3.26Å
112F95.8Very high95.6Very high49 Ų4932.5 Ų32.522%0.21516%0.157CC..Hα-helixtrans-64.2-44.6-179.9-178-111.8000111.9Y23 L108 G109 T110 T116Y23-F112 VanDerWaalsContact CB-CZ 3.46Å; Y23-F112 HydrophobicContact CD1-CZ 4.2Å; Y23-F112 HydrophobicContact CD2-CE1 4.22Å; Y23-F112 HydrophobicContact CD2-CE2 4.16Å; Y23-F112 AromaticContact CD2-CZ 3.49Å; Y23-F112 HydrophobicContact CD2-CZ 3.49Å; Y23-F112 VanDerWaalsContact CD2-CZ 3.49Å; Y23-F112 HydrophobicContact CE2-CZ 4.27Å; Y23-F112 AromaticContact CG-CE1 3.86Å; Y23-F112 HydrophobicContact CG-CE1 3.86Å; Y23-F112 AromaticContact CG-CZ 3.45Å; Y23-F112 HydrophobicContact CG-CZ 3.45Å; Y23-F112 VanDerWaalsContact CG-CZ 3.45Å; L108-F112 VanDerWaalsContact O-CB 3.25Å; L108-F112 WeakPolarHBondContact O-CB 3.45Å; L108-F112 PolarHBondContact O-N 2.99Å; G109-F112 PolarHBondContact O-N 3.21Å; T110-F112 VanDerWaalsContact C-N 3.34Å; T110-F112 PolarHBondContact O-N 3.34Å; F112-T116 VanDerWaalsContact O-CB 3.28Å; F112-T116 WeakPolarHBondContact O-CB 3.27Å; F112-T116 PolarHBondContact O-N 3.41Å; F112-T116 PolarHBondContact O-OG1 3.35Å
113F95.8Very high95.5Very high62 Ų6232 Ų3227%0.27215%0.154SC..Hα-helixtrans-55.7-56.3174.1171.4-91.9000111.4L19 V22 G109 T110 T115 T116 I117L19-F113 HydrophobicContact CD2-CB 4.16Å; L19-F113 HydrophobicContact CD2-CG 4.32Å; V22-F113 HydrophobicContact CB-CD2 3.86Å; V22-F113 HydrophobicContact CB-CE2 4.18Å; V22-F113 HydrophobicContact CG1-CB 4.32Å; V22-F113 HydrophobicContact CG1-CD2 3.37Å; V22-F113 HydrophobicContact CG1-CE2 4.03Å; V22-F113 HydrophobicContact CG1-CG 4.2Å; V22-F113 HydrophobicContact CG2-CD2 4.08Å; V22-F113 HydrophobicContact CG2-CE2 3.88Å; G109-F113 VanDerWaalsContact O-CB 3.31Å; G109-F113 WeakPolarHBondContact O-CB 3.29Å; G109-F113 PolarHBondContact O-N 3.45Å; T110-F113 PolarHBondContact O-N 2.93Å; F113-T115 PolarHBondContact O-N 2.98Å; F113-T116 PolarHBondContact O-N 3.06Å; F113-I117 HydrophobicContact CD1-CD1 4.12Å; F113-I117 HydrophobicContact CD2-CD1 4.2Å; F113-I117 HydrophobicContact CE1-CD1 3.5Å; F113-I117 HydrophobicContact CE2-CD1 3.56Å; F113-I117 HydrophobicContact CG-CD1 4.42Å; F113-I117 HydrophobicContact CZ-CD1 3.16Å; F113-I117 HydrophobicContact CZ-CG1 4.48Å; F113-I117 PolarHBondContact O-N 3.1Å
114L96.7Very high95.5Very high65 Ų6535.1 Ų35.134%0.3417%0.166SC..Hα-helixtrans-65.5-41.1-176.8-69.2175.7000112T110 T116 T118 L232T110-L114 HydrophobicContact CG2-CD1 3.95Å; T110-L114 HydrophobicContact CG2-CG 4.44Å; T110-L114 WeakPolarHBondContact O-CB 3.5Å; T110-L114 WeakPolarHBondContact O-CG 3.33Å; T110-L114 PolarHBondContact O-N 3.47Å; L114-T116 VanDerWaalsContact C-N 3.33Å; L114-T116 PolarHBondContact O-N 3.37Å; L114-T118 WeakPolarHBondContact O-CB 3.48Å; L114-T118 PolarHBondContact O-N 3.41Å; L114-T118 VanDerWaalsContact O-N 3.09Å; L114-T118 PolarHBondContact O-OG1 3.28Å; L114-L232 HydrophobicContact CB-CD1 4.32Å; L114-L232 HydrophobicContact CB-CD2 3.83Å; L114-L232 HydrophobicContact CD1-CD1 3.78Å
115T96.4Very high95.5Very high4 Ų435.2 Ų35.23%0.02517%0.166CC..Hα-helixtrans-59.2-46.3174.3-620000110.5T111 F113 T118 K119 M166 S171T111-T115 WeakPolarHBondContact O-CB 3.27Å; T111-T115 PolarHBondContact O-N 2.77Å; T111-T115 PolarHBondContact O-OG1 3.47Å; F113-T115 PolarHBondContact O-N 2.98Å; T115-T118 PolarHBondContact O-N 3.14Å; T115-K119 HydrophobicContact CG2-CD 4.1Å; T115-K119 HydrophobicContact CG2-CG 4.37Å; T115-K119 WeakPolarHBondContact O-CB 3.34Å; T115-K119 WeakPolarHBondContact O-CG 3.33Å; T115-K119 PolarHBondContact O-N 2.66Å; T115-M166 HydrophobicContact CG2-CG 4.01Å; T115-S171 WeakPolarHBondContact OG1-CB 3.35Å; T115-S171 PolarHBondContact OG1-OG 3.38Å
116T94.3Very high95.6Very high5 Ų534 Ų343%0.03116%0.159CC..Hα-helixtrans-67.1-49.4-175.6-59.20000111.3Y23 I26 F112 F113 L114 T118 K119 Y120Y23-T116 HydrophobicContact CD2-CG2 3.86Å; I26-T116 HydrophobicContact CB-CG2 4.09Å; I26-T116 HydrophobicContact CD1-CG2 3.83Å; I26-T116 HydrophobicContact CG2-CG2 4.04Å; F112-T116 VanDerWaalsContact O-CB 3.28Å; F112-T116 WeakPolarHBondContact O-CB 3.27Å; F112-T116 PolarHBondContact O-N 3.41Å; F112-T116 PolarHBondContact O-OG1 3.35Å; F113-T116 PolarHBondContact O-N 3.06Å; L114-T116 VanDerWaalsContact C-N 3.33Å; L114-T116 PolarHBondContact O-N 3.37Å; T116-T118 VanDerWaalsContact C-N 3.27Å; T116-T118 PolarHBondContact O-N 3.22Å; T116-K119 PolarHBondContact O-N 3.09Å; T116-Y120 HydrophobicContact CG2-CD2 3.89Å; T116-Y120 HydrophobicContact CG2-CE2 3.96Å; T116-Y120 WeakPolarHBondContact O-CD2 3.5Å; T116-Y120 PolarHBondContact O-N 3.28Å; T116-Y120 VanDerWaalsContact O-N 3.14Å
117I93.8Very high95.7Very high69 Ų6933.2 Ų33.235%0.35416%0.155SC..Hα-helixtrans-55.5-48.2176.6-72.4176.3000110.2I26 F113 K119 Y120 Y121I26-I117 HydrophobicContact CD1-CB 4.4Å; I26-I117 HydrophobicContact CD1-CD1 4.39Å; I26-I117 HydrophobicContact CD1-CG1 3.38Å; F113-I117 HydrophobicContact CD1-CD1 4.12Å; F113-I117 HydrophobicContact CD2-CD1 4.2Å; F113-I117 HydrophobicContact CE1-CD1 3.5Å; F113-I117 HydrophobicContact CE2-CD1 3.56Å; F113-I117 HydrophobicContact CG-CD1 4.42Å; F113-I117 HydrophobicContact CZ-CD1 3.16Å; F113-I117 HydrophobicContact CZ-CG1 4.48Å; F113-I117 PolarHBondContact O-N 3.1Å; I117-K119 PolarHBondContact O-N 3.26Å; I117-Y120 PolarHBondContact O-N 2.87Å; I117-Y121 WeakPolarHBondContact O-CB 3.34Å; I117-Y121 PolarHBondContact O-N 3.44Å
118T94.5Very high95.7Very high34 Ų3433.3 Ų33.321%0.20916%0.155CC..Hα-helixtrans-62.3-44-178-52.70000111.9L114 T115 T116 L122 F165 M166L114-T118 WeakPolarHBondContact O-CB 3.48Å; L114-T118 PolarHBondContact O-N 3.41Å; L114-T118 VanDerWaalsContact O-N 3.09Å; L114-T118 PolarHBondContact O-OG1 3.28Å; T115-T118 PolarHBondContact O-N 3.14Å; T116-T118 VanDerWaalsContact C-N 3.27Å; T116-T118 PolarHBondContact O-N 3.22Å; T118-L122 HydrophobicContact CG2-CD1 3.7Å; T118-L122 HydrophobicContact CG2-CG 4.08Å; T118-L122 WeakPolarHBondContact O-CB 3.47Å; T118-L122 WeakPolarHBondContact O-CG 3.3Å; T118-L122 PolarHBondContact O-N 2.65Å; T118-F165 HydrophobicContact CG2-CD1 3.7Å; T118-F165 HydrophobicContact CG2-CE1 3.73Å; T118-M166 HydrophobicContact CG2-CE 3.76Å
119K94.8Very high95.8Very high22 Ų2233.2 Ų33.210%0.09616%0.155CC..Hα-helixtrans-57.6-51.5179.4-83.6-177171.2-58.60112.8T115 T116 I117 G123 L163 S164 F165 M166 H221T115-K119 HydrophobicContact CG2-CD 4.1Å; T115-K119 HydrophobicContact CG2-CG 4.37Å; T115-K119 WeakPolarHBondContact O-CB 3.34Å; T115-K119 WeakPolarHBondContact O-CG 3.33Å; T115-K119 PolarHBondContact O-N 2.66Å; T116-K119 PolarHBondContact O-N 3.09Å; I117-K119 PolarHBondContact O-N 3.26Å; K119-G123 PolarHBondContact O-N 3.39Å; K119-G123 VanDerWaalsContact O-N 3.12Å; K119-L163 HydrophobicContact CB-CD2 4.27Å; K119-L163 PolarHBondContact NZ-O 2.95Å; K119-S164 PolarHBondContact NZ-O 3.33Å; K119-S164 VanDerWaalsContact NZ-O 3.15Å; K119-F165 WeakPolarHBondContact CA-O 3.3Å; K119-F165 WeakPolarHBondContact CG-O 3.25Å; K119-M166 WeakPolarHBondContact CE-O 3.43Å; K119-M166 WeakPolarHBondContact CG-O 3.38Å; K119-M166 PolarHBondContact NZ-O 2.89Å; K119-H221 PolarHBondContact NZ-CE1 2.55Å
120Y93.6Very high95.8Very high26 Ų2635.9 Ų35.910%0.10217%0.165CC..Hα-helixtrans-77.7-31.7-174.7-77.1-99000112.4I26 K27 S31 H32 T116 I117 L163I26-Y120 VanDerWaalsContact CG2-CB 3.41Å; I26-Y120 HydrophobicContact CG2-CD1 3.98Å; I26-Y120 HydrophobicContact CG2-CD2 3.65Å; I26-Y120 HydrophobicContact CG2-CE2 4.38Å; I26-Y120 HydrophobicContact CG2-CG 3.41Å; I26-Y120 VanDerWaalsContact CG2-CG 3.41Å; K27-Y120 HydrophobicContact CB-CE1 4.47Å; S31-Y120 WeakPolarHBondContact CA-O 3.43Å; H32-Y120 PolarHBondContact N-O 2.9Å; T116-Y120 HydrophobicContact CG2-CD2 3.89Å; T116-Y120 HydrophobicContact CG2-CE2 3.96Å; T116-Y120 WeakPolarHBondContact O-CD2 3.5Å; T116-Y120 PolarHBondContact O-N 3.28Å; T116-Y120 VanDerWaalsContact O-N 3.14Å; I117-Y120 PolarHBondContact O-N 2.87Å; Y120-L163 HydrophobicContact CD1-CD2 4.05Å; Y120-L163 HydrophobicContact CD2-CD2 4.02Å; Y120-L163 HydrophobicContact CE1-CD1 4.37Å; Y120-L163 HydrophobicContact CE1-CD2 4.1Å; Y120-L163 HydrophobicContact CE2-CD1 4.34Å; Y120-L163 HydrophobicContact CE2-CD2 4.09Å; Y120-L163 HydrophobicContact CG-CD2 4.02Å
121Y93Very high95.8Very high163 Ų16336.9 Ų36.964%0.63917%0.169SC*.Hα-helixtrans-70.4-48.6176.3-176.4-105.1000112.1H32 I117H32-Y121 PolarHBondContact CD2-O 3.44Å; I117-Y121 WeakPolarHBondContact O-CB 3.34Å; I117-Y121 PolarHBondContact O-N 3.44Å
122L94.1Very high95.8Very high63 Ų6338 Ų3833%0.3317%0.174SC..Hα-helixtrans-71.3-54.5-178.2-67.2-172.6000110.8W34 T118 F165W34-L122 HydrophobicContact CZ3-CB 4.03Å; W34-L122 WeakPolarHBondContact CZ3-O 3.26Å; T118-L122 HydrophobicContact CG2-CD1 3.7Å; T118-L122 HydrophobicContact CG2-CG 4.08Å; T118-L122 WeakPolarHBondContact O-CB 3.47Å; T118-L122 WeakPolarHBondContact O-CG 3.3Å; T118-L122 PolarHBondContact O-N 2.65Å; L122-F165 HydrophobicContact CD1-CD1 3.43Å; L122-F165 VanDerWaalsContact CD1-CD1 3.43Å; L122-F165 HydrophobicContact CD1-CE1 3.9Å; L122-F165 HydrophobicContact CD1-CG 4.22Å
123G93Very high95.8Very high0 Ų035.6 Ų35.60%016%0.164CC..  trans80.916.6-179.100000114.8W34 K119 L125 F162W34-G123 VanDerWaalsContact CB-O 3.28Å; W34-G123 WeakPolarHBondContact CB-O 3.45Å; W34-G123 VanDerWaalsContact CE3-C 3.42Å; K119-G123 PolarHBondContact O-N 3.39Å; K119-G123 VanDerWaalsContact O-N 3.12Å; G123-L125 PolarHBondContact O-N 2.96Å; G123-F162 CarbonylContact C-O 3.38Å; G123-F162 WeakPolarHBondContact CA-O 3.34Å
124R96.4Very high95.9Very high64 Ų6439.9 Ų39.924%0.24218%0.178CC..PPolyproline II helixtrans-57.3134.8-174.7-174.9-178.3178.4-176.7-6.3111.4W34 F162 S164 F165 H222 T224 D225W34-R124 VanDerWaalsContact CE3-CA 3.43Å; W34-R124 HydrophobicContact CE3-CB 4.13Å; W34-R124 VanDerWaalsContact CE3-N 3.31Å; W34-R124 HydrophobicContact CH2-CB 4.21Å; W34-R124 HydrophobicContact CZ3-CB 3.95Å; R124-F162 PolarHBondContact N-O 3.26Å; R124-F162 CarbonylContact O-C 3.53Å; R124-F162 VanDerWaalsContact O-C 3.31Å; R124-S164 WeakPolarHBondContact O-CB 3.39Å; R124-S164 PolarHBondContact O-N 3.45Å; R124-F165 HydrophobicContact CB-CB 3.93Å; R124-F165 HydrophobicContact CG-CB 4.5Å; R124-H222 PolarHBondContact NH2-CD2 3.46Å; R124-H222 VanDerWaalsContact NH2-CD2 3.33Å; R124-T224 PolarHBondContact NH1-OG1 3.48Å; R124-D225 IonicContact CZ-OD1 3.4Å; R124-D225 IonicContact NE-OD1 3.82Å; R124-D225 IonicContact NH1-OD1 2.74Å; R124-D225 PolarHBondContact NH1-OD1 3.03Å
125L97.4Very high95.8Very high5 Ų537.2 Ų37.23%0.02617%0.165CC..PPolyproline II helixtrans-66.7137.7180-57.5-174.7000113W34 F36 I43 G123 F129 V161 F162 S164 H222W34-L125 HydrophobicContact CB-CD2 3.88Å; W34-L125 HydrophobicContact CB-CG 3.98Å; W34-L125 HydrophobicContact CG-CG 4.19Å; F36-L125 HydrophobicContact CB-CD1 3.64Å; F36-L125 HydrophobicContact CD1-CD1 4.06Å; F36-L125 HydrophobicContact CG-CD1 4.17Å; I43-L125 HydrophobicContact CD1-CD1 3.97Å; I43-L125 HydrophobicContact CG2-CB 3.86Å; G123-L125 PolarHBondContact O-N 2.96Å; L125-F129 HydrophobicContact CB-CB 4.28Å; L125-F129 HydrophobicContact CB-CG 4.38Å; L125-F129 HydrophobicContact CD1-CD1 4.02Å; L125-F129 HydrophobicContact CD1-CD2 4.15Å; L125-F129 HydrophobicContact CD1-CE1 4.12Å; L125-F129 HydrophobicContact CD1-CE2 4.24Å; L125-F129 HydrophobicContact CD1-CG 4.03Å; L125-F129 HydrophobicContact CD1-CZ 4.22Å; L125-F129 HydrophobicContact CD2-CD2 3.69Å; L125-F129 HydrophobicContact CD2-CE2 3.84Å; L125-F129 HydrophobicContact CD2-CG 4.3Å; L125-F129 HydrophobicContact CG-CD2 4.34Å; L125-F129 HydrophobicContact CG-CG 4.47Å; L125-V161 CarbonylContact C-O 2.95Å; L125-V161 WeakPolarHBondContact CA-O 3.4Å; L125-F162 HydrophobicContact CD2-CD1 3.45Å; L125-F162 VanDerWaalsContact CD2-CD1 3.45Å; L125-F162 HydrophobicContact CD2-CE1 3.52Å; L125-F162 HydrophobicContact CD2-CG 4.45Å; L125-S164 WeakPolarHBondContact O-CB 3.44Å; L125-H222 PolarHBondContact O-NE2 3.37Å; L125-H222 VanDerWaalsContact O-NE2 3.08Å
126R97.7Very high95.8Very high14 Ų1440.4 Ų40.45%0.05318%0.182CC..PPolyproline II helixtrans-74.8157174.4-73.1-164.217717110.9112.5H128 F129 D160 V161 Y220R126-H128 PolarHBondContact O-N 3.4Å; R126-H128 VanDerWaalsContact O-N 3.11Å; R126-F129 VanDerWaalsContact O-CB 3.28Å; R126-F129 WeakPolarHBondContact O-CB 3.46Å; R126-F129 PolarHBondContact O-N 3.09Å; R126-D160 WeakPolarHBondContact CD-O 3.31Å; R126-D160 VanDerWaalsContact CZ-CG 3.43Å; R126-D160 VanDerWaalsContact CZ-O 3.3Å; R126-D160 IonicContact CZ-OD1 2.64Å; R126-D160 IonicContact CZ-OD2 3.02Å; R126-D160 VanDerWaalsContact CZ-OD2 3.26Å; R126-D160 PolarHBondContact NE-O 3.42Å; R126-D160 VanDerWaalsContact NE-O 3.12Å; R126-D160 IonicContact NH1-OD1 3.26Å; R126-D160 IonicContact NH1-OD2 3.86Å; R126-D160 PolarHBondContact NH1-OD2 3.42Å; R126-D160 IonicContact NH2-OD1 3.85Å; R126-D160 PolarHBondContact NH2-OD1 3.05Å; R126-D160 IonicContact NH2-OD2 3.12Å; R126-D160 PolarHBondContact NH2-OD2 2.95Å; R126-V161 PolarHBondContact N-O 3.02Å; R126-Y220 WeakPolarHBondContact CD-O 3.47Å; R126-Y220 WeakPolarHBondContact CG-O 3.35Å; R126-Y220 VanDerWaalsContact NH1-CE1 3.29Å
127P98.2Very high95.7Very high7 Ų741.7 Ų41.75%0.04519%0.189CC..THydrogen-bonded Turntrans-58-25.2177.2-24.732.2000115.4S42 I43 K44 Y45 H219S42-P127 WeakPolarHBondContact O-CA 3.04Å; S42-P127 WeakPolarHBondContact O-CB 3.38Å; I43-P127 CarbonylContact C-O 3.31Å; I43-P127 VanDerWaalsContact CA-O 3.3Å; I43-P127 WeakPolarHBondContact CA-O 3.36Å; K44-P127 PolarHBondContact N-O 2.68Å; Y45-P127 WeakPolarHBondContact CB-O 3.38Å; Y45-P127 HydrophobicContact CD2-CB 3.94Å; Y45-P127 HydrophobicContact CG-CB 4.48Å; Y45-P127 PolarHBondContact N-O 3.37Å; P127-H219 HydrophobicContact CB-CB 4.13Å; P127-H219 WeakPolarHBondContact CB-O 3.43Å; P127-H219 VanDerWaalsContact CD-O 3.31Å; P127-H219 WeakPolarHBondContact CD-O 3.35Å; P127-H219 WeakPolarHBondContact CG-O 3.19Å
128H97.7Very high95.6Very high2 Ų242.4 Ų42.41%0.00920%0.199CC..THydrogen-bonded Turntrans-99.620.9177.259.4-100.2000114.7Y45 Y47 R126 W130 D131 I132 H219Y45-H128 VanDerWaalsContact O-CA 3.28Å; Y45-H128 WeakPolarHBondContact O-CA 3.49Å; Y47-H128 AromaticContact CD2-CD2 3.76Å; R126-H128 PolarHBondContact O-N 3.4Å; R126-H128 VanDerWaalsContact O-N 3.11Å; H128-W130 VanDerWaalsContact C-N 3.35Å; H128-W130 PolarHBondContact O-N 2.9Å; H128-D131 PolarHBondContact O-N 2.97Å; H128-I132 PolarHBondContact O-N 3.01Å; H128-H219 PolarHBondContact ND1-O 3.01Å
129F97.7Very high95.3Very high0 Ų048 Ų480%023%0.232CC..Hα-helixtrans-54.5-46.6-176.8164-98.6000113.1F36 I43 L125 R126 D131 I132 C133 P135 Y148 V161 F162F36-F129 AromaticContact CD1-CE1 3.84Å; F36-F129 HydrophobicContact CD1-CE1 3.84Å; F36-F129 AromaticContact CD1-CZ 3.97Å; F36-F129 HydrophobicContact CD1-CZ 3.97Å; F36-F129 AromaticContact CE1-CE1 3.71Å; F36-F129 HydrophobicContact CE1-CE1 3.71Å; F36-F129 AromaticContact CE1-CZ 3.76Å; F36-F129 HydrophobicContact CE1-CZ 3.76Å; F36-F129 HydrophobicContact CG-CE1 4.36Å; F36-F129 HydrophobicContact CZ-CE1 4.15Å; I43-F129 HydrophobicContact CB-CB 4.2Å; I43-F129 HydrophobicContact CD1-CD1 4.04Å; I43-F129 PolarHBondContact O-N 3.41Å; L125-F129 HydrophobicContact CB-CB 4.28Å; L125-F129 HydrophobicContact CB-CG 4.38Å; L125-F129 HydrophobicContact CD1-CD1 4.02Å; L125-F129 HydrophobicContact CD1-CD2 4.15Å; L125-F129 HydrophobicContact CD1-CE1 4.12Å; L125-F129 HydrophobicContact CD1-CE2 4.24Å; L125-F129 HydrophobicContact CD1-CG 4.03Å; L125-F129 HydrophobicContact CD1-CZ 4.22Å; L125-F129 HydrophobicContact CD2-CD2 3.69Å; L125-F129 HydrophobicContact CD2-CE2 3.84Å; L125-F129 HydrophobicContact CD2-CG 4.3Å; L125-F129 HydrophobicContact CG-CD2 4.34Å; L125-F129 HydrophobicContact CG-CG 4.47Å; R126-F129 VanDerWaalsContact O-CB 3.28Å; R126-F129 WeakPolarHBondContact O-CB 3.46Å; R126-F129 PolarHBondContact O-N 3.09Å; F129-D131 VanDerWaalsContact C-N 3.35Å; F129-D131 PolarHBondContact O-N 3.28Å; F129-I132 PolarHBondContact O-N 3.41Å; F129-C133 HydrophobicContact CD2-CB 3.85Å; F129-C133 HydrophobicContact CE2-CB 3.54Å; F129-C133 VanDerWaalsContact CE2-SG 3.55Å; F129-C133 HydrophobicContact CG-CB 4.46Å; F129-C133 HydrophobicContact CZ-CB 3.91Å; F129-C133 VanDerWaalsContact CZ-SG 3.59Å; F129-C133 VanDerWaalsContact O-CB 3.23Å; F129-C133 WeakPolarHBondContact O-CB 3.42Å; F129-C133 PolarHBondContact O-N 2.88Å; F129-P135 HydrophobicContact CE1-CG 4.09Å; F129-P135 HydrophobicContact CZ-CB 4.46Å; F129-P135 HydrophobicContact CZ-CG 4.45Å; F129-Y148 HydrophobicContact CE2-CE2 4.03Å; F129-Y148 HydrophobicContact CZ-CD2 4.38Å; F129-Y148 AromaticContact CZ-CE2 3.63Å; F129-Y148 HydrophobicContact CZ-CE2 3.63Å; F129-Y148 AromaticContact CZ-CZ 3.97Å; F129-V161 HydrophobicContact CB-CB 4.45Å; F129-V161 HydrophobicContact CD2-CB 4.06Å; F129-V161 HydrophobicContact CD2-CG2 3.79Å; F129-V161 HydrophobicContact CE2-CG2 4.36Å; F129-F162 HydrophobicContact CE2-CE1 4.22Å; F129-F162 HydrophobicContact CE2-CZ 4.11Å
130W96.3Very high95.1Very high56 Ų5653.6 Ų53.621%0.21226%0.263CS..Hα-helixtrans-64.7-38.1-175.3-81.181.4000113.2F36 I43 K44 H128 I132 R134 P135 V137F36-W130 HydrophobicContact CD2-CZ2 4.07Å; F36-W130 HydrophobicContact CE2-CH2 4.07Å; F36-W130 AromaticContact CE2-CZ2 3.5Å; F36-W130 HydrophobicContact CE2-CZ2 3.5Å; F36-W130 VanDerWaalsContact CE2-CZ2 3.5Å; F36-W130 HydrophobicContact CZ-CZ2 4.32Å; I43-W130 PolarHBondContact O-N 3.45Å; K44-W130 HydrophobicContact CG-CB 4.39Å; K44-W130 VanDerWaalsContact CG-CD1 3.41Å; K44-W130 HydrophobicContact CG-CD2 4.27Å; K44-W130 HydrophobicContact CG-CG 3.78Å; H128-W130 VanDerWaalsContact C-N 3.35Å; H128-W130 PolarHBondContact O-N 2.9Å; W130-I132 VanDerWaalsContact C-N 3.34Å; W130-I132 PolarHBondContact O-N 3.01Å; W130-R134 WeakPolarHBondContact O-CA 3.31Å; W130-R134 PolarHBondContact O-N 3.43Å; W130-P135 HydrophobicContact CD2-CG 4.17Å; W130-P135 HydrophobicContact CE3-CG 3.74Å; W130-P135 HydrophobicContact CH2-CG 4.16Å; W130-P135 HydrophobicContact CZ3-CG 3.73Å; W130-V137 HydrophobicContact CH2-CG2 3.75Å; W130-V137 HydrophobicContact CZ3-CG2 3.84Å
131D97.2Very high95Very high64 Ų6453.6 Ų53.634%0.34227%0.267SS..Hα-helixtrans-67.1-37.7-176.3-164.723.6000112Y47 H128 F129 R134Y47-D131 VanDerWaalsContact CB-OD2 3.25Å; Y47-D131 WeakPolarHBondContact CB-OD2 3.14Å; Y47-D131 PolarHBondContact N-OD2 2.69Å; H128-D131 PolarHBondContact O-N 2.97Å; F129-D131 VanDerWaalsContact C-N 3.35Å; F129-D131 PolarHBondContact O-N 3.28Å; D131-R134 PolarHBondContact O-NE 3.42Å
132I97.5Very high95.1Very high23 Ų2351.4 Ų51.412%0.11827%0.271CS..Hα-helixtrans-87.2-53.8179.7-63-57.2000112.4Y47 H128 F129 W130 G152 L157 I158 V161Y47-I132 HydrophobicContact CD1-CD1 4.32Å; Y47-I132 HydrophobicContact CD2-CD1 3.79Å; Y47-I132 HydrophobicContact CD2-CG1 3.97Å; Y47-I132 HydrophobicContact CE2-CD1 4.37Å; Y47-I132 HydrophobicContact CG-CD1 3.75Å; Y47-I132 HydrophobicContact CG-CG1 4.27Å; H128-I132 PolarHBondContact O-N 3.01Å; F129-I132 PolarHBondContact O-N 3.41Å; W130-I132 VanDerWaalsContact C-N 3.34Å; W130-I132 PolarHBondContact O-N 3.01Å; I132-G152 WeakPolarHBondContact O-CA 3.36Å; I132-L157 HydrophobicContact CD1-CB 4.36Å; I132-L157 HydrophobicContact CD1-CD1 3.98Å; I132-L157 HydrophobicContact CG2-CB 3.63Å; I132-I158 HydrophobicContact CG2-CG1 4.15Å; I132-V161 HydrophobicContact CB-CG1 3.74Å; I132-V161 HydrophobicContact CG1-CG1 4.2Å; I132-V161 HydrophobicContact CG2-CG1 3.78Å
133C96.6Very high95.1Very high0 Ų050.2 Ų50.20%027%0.274CS..Hα-helixtrans-69.3-41.1-174.3173.90000111.1F129 C150 Q151 G152F129-C133 HydrophobicContact CD2-CB 3.85Å; F129-C133 HydrophobicContact CE2-CB 3.54Å; F129-C133 VanDerWaalsContact CE2-SG 3.55Å; F129-C133 HydrophobicContact CG-CB 4.46Å; F129-C133 HydrophobicContact CZ-CB 3.91Å; F129-C133 VanDerWaalsContact CZ-SG 3.59Å; F129-C133 VanDerWaalsContact O-CB 3.23Å; F129-C133 WeakPolarHBondContact O-CB 3.42Å; F129-C133 PolarHBondContact O-N 2.88Å; C133-C150 HydrophobicContact CB-CB 3.92Å; C133-C150 WeakPolarHBondContact CB-SG 3.34Å; C133-C150 CarbonylContact O-C 3.29Å; C133-C150 VanDerWaalsContact O-C 3.29Å; C133-C150 WeakPolarHBondContact O-CA 3.29Å; C133-C150 WeakPolarHBondContact O-CB 3.29Å; C133-C150 WeakPolarHBondContact SG-CA 3.4Å; C133-C150 WeakPolarHBondContact SG-CB 3.29Å; C133-C150 CovalentContact SG-SG 2.04Å; C133-C150 PolarHBondContact SG-SG 3.12Å; C133-Q151 PolarHBondContact O-N 3.29Å; C133-G152 PolarHBondContact O-N 3.14Å; C133-G152 VanDerWaalsContact O-N 3.1Å
134R96.1Very high95.2Very high151 Ų15154.2 Ų54.257%0.5730%0.295SS*.  trans47.667.3-172.2-58.1179.5-175.3-172.3-3.1110.4W130 D131 Q151W130-R134 WeakPolarHBondContact O-CA 3.31Å; W130-R134 PolarHBondContact O-N 3.43Å; D131-R134 PolarHBondContact O-NE 3.42Å; R134-Q151 HydrophobicContact CB-CB 4.23Å; R134-Q151 VanDerWaalsContact O-CB 3.28Å; R134-Q151 WeakPolarHBondContact O-CB 3.45Å; R134-Q151 VanDerWaalsContact O-CG 3.3Å; R134-Q151 WeakPolarHBondContact O-CG 3.22Å; R134-Q151 PolarHBondContact O-N 3.08Å; R134-Q151 VanDerWaalsContact O-N 3.11Å; R134-Q151 PolarHBondContact O-OE1 3.09Å
135P95.9Very high95.1Very high9 Ų953 Ų536%0.05829%0.292CS..BIsolated β-bridgetrans-63.7141.4-171.928.4-35.7000110.7F36 F129 W130 V137 Y148 T149F36-P135 HydrophobicContact CE1-CB 4.3Å; F36-P135 HydrophobicContact CE1-CG 4.48Å; F36-P135 HydrophobicContact CZ-CB 3.95Å; F36-P135 HydrophobicContact CZ-CG 3.87Å; F129-P135 HydrophobicContact CE1-CG 4.09Å; F129-P135 HydrophobicContact CZ-CB 4.46Å; F129-P135 HydrophobicContact CZ-CG 4.45Å; W130-P135 HydrophobicContact CD2-CG 4.17Å; W130-P135 HydrophobicContact CE3-CG 3.74Å; W130-P135 HydrophobicContact CH2-CG 4.16Å; W130-P135 HydrophobicContact CZ3-CG 3.73Å; P135-V137 HydrophobicContact CB-CG1 4.2Å; P135-V137 HydrophobicContact CG-CG2 4.39Å; P135-V137 PolarHBondContact O-N 3.01Å; P135-Y148 HydrophobicContact CB-CD2 4.03Å; P135-Y148 HydrophobicContact CB-CG 4.4Å; P135-T149 WeakPolarHBondContact CA-O 3.44Å
136N95.2Very high94.9Very high72 Ų7257 Ų5739%0.38532%0.317SS..  trans-74.954.6-179.973.4-37.9000113.1Y148 T149 Q151N136-Y148 WeakPolarHBondContact OD1-CA 3.1Å; N136-T149 PolarHBondContact N-O 3.45Å; N136-T149 PolarHBondContact ND2-OG1 2.67Å; N136-T149 PolarHBondContact OD1-N 3Å; N136-T149 PolarHBondContact OD1-O 3.06Å; N136-T149 PolarHBondContact OD1-OG1 3.2Å; N136-Q151 HydrophobicContact CB-CG 4.07Å
137V93.8Very high94.6Very high31 Ų3162.2 Ų62.219%0.18835%0.35CS..  trans-91.8156.9-179.5-66.10000111.8F36 W130 P135 C141 Q145F36-V137 HydrophobicContact CE2-CG1 4.48Å; F36-V137 HydrophobicContact CZ-CG1 3.95Å; W130-V137 HydrophobicContact CH2-CG2 3.75Å; W130-V137 HydrophobicContact CZ3-CG2 3.84Å; P135-V137 HydrophobicContact CB-CG1 4.2Å; P135-V137 HydrophobicContact CG-CG2 4.39Å; P135-V137 PolarHBondContact O-N 3.01Å; V137-C141 HydrophobicContact CB-CB 4.28Å; V137-C141 HydrophobicContact CG2-CB 4.11Å; V137-Q145 HydrophobicContact CG1-CG 4Å
138P91.4Very high94.4Very high85 Ų8562.5 Ų62.555%0.55235%0.35SS*.  trans-56.9149.8173.2-23.133.8000112N140 C141P138-N140 PolarHBondContact O-N 3.23Å; P138-C141 WeakPolarHBondContact O-CB 3.14Å; P138-C141 PolarHBondContact O-N 3.34Å
139V87.4Confident94.3Very high150 Ų15066 Ų6691%0.90937%0.372SS*.THydrogen-bonded Turntrans-54.3-41.2176.6178.60000111.2C141V139-C141 VanDerWaalsContact C-N 3.32Å; V139-C141 PolarHBondContact O-N 3.19Å
140N91Very high94.2Very high140 Ų14067.5 Ų67.575%0.74938%0.382SS*.THydrogen-bonded Turntrans-94.358.2173-64.1-21.6000110.4P138 T142P138-N140 PolarHBondContact O-N 3.23Å; N140-T142 PolarHBondContact O-N 3.3Å
141C91.7Very high94.2Very high27 Ų2771 Ų7118%0.18240%0.401CS..  trans-61.1120.7177.5-168.50000109.5C38 V137 P138 V139C38-C141 VanDerWaalsContact CB-C 3.49Å; C38-C141 HydrophobicContact CB-CB 3.61Å; C38-C141 WeakPolarHBondContact CB-O 3.4Å; C38-C141 WeakPolarHBondContact CB-SG 3.34Å; C38-C141 VanDerWaalsContact SG-CA 3.56Å; C38-C141 WeakPolarHBondContact SG-CB 2.97Å; C38-C141 CovalentContact SG-SG 2.03Å; C38-C141 PolarHBondContact SG-SG 2.96Å; V137-C141 HydrophobicContact CB-CB 4.28Å; V137-C141 HydrophobicContact CG2-CB 4.11Å; P138-C141 WeakPolarHBondContact O-CB 3.14Å; P138-C141 PolarHBondContact O-N 3.34Å; V139-C141 VanDerWaalsContact C-N 3.32Å; V139-C141 PolarHBondContact O-N 3.19Å
142T94.1Very high94.1Very high116 Ų11668.9 Ų68.971%0.71239%0.394SS*.  trans-130.5148.217457.20000110.9C38 N140 Q145C38-T142 VanDerWaalsContact SG-C 3.54Å; C38-T142 PolarHBondContact SG-N 3.17Å; N140-T142 PolarHBondContact O-N 3.3Å; T142-Q145 PolarHBondContact O-NE2 3.42Å
143G94.4Very high94Very high39 Ų3974.8 Ų74.840%0.40243%0.432SS..SBendtrans73.2-160.517400000114.5F37 C38F37-G143 WeakPolarHBondContact CA-O 3.29Å; C38-G143 PolarHBondContact N-O 3.38Å; C38-G143 PolarHBondContact SG-O 2.62Å; C38-G143 VanDerWaalsContact SG-O 3.37Å
144L95.6Very high94Very high84 Ų8478.3 Ų78.344%0.4445%0.45SS..EExtended strand (participates in β ladder)trans-83.9125.8-176.7-176.566.9000111.2F37 T146F37-L144 HydrophobicContact CD1-CB 4Å; F37-L144 HydrophobicContact CD1-CD1 4.17Å; F37-L144 HydrophobicContact CD2-CD1 4.08Å; F37-L144 HydrophobicContact CE1-CB 3.74Å; F37-L144 HydrophobicContact CE1-CD1 4.02Å; F37-L144 HydrophobicContact CE1-CG 4.39Å; F37-L144 HydrophobicContact CE2-CD1 3.92Å; F37-L144 HydrophobicContact CG-CD1 4.21Å; F37-L144 HydrophobicContact CZ-CB 4.33Å; F37-L144 HydrophobicContact CZ-CD1 3.89Å; L144-T146 HydrophobicContact CD2-CG2 3.99Å; L144-T146 HydrophobicContact CG-CG2 4.09Å
145Q94.7Very high93.8Very high37 Ų3775.4 Ų75.417%0.17345%0.453CS..EExtended strand (participates in β ladder)trans-99.3112.7172.7-58.5-57.5-44.200109.6S35 F36 C38 V137 T142S35-Q145 VanDerWaalsContact CA-O 3.27Å; S35-Q145 WeakPolarHBondContact CA-O 3.23Å; S35-Q145 WeakPolarHBondContact CB-O 3.48Å; F36-Q145 HydrophobicContact CD1-CB 4.44Å; F36-Q145 HydrophobicContact CD2-CB 4.34Å; F36-Q145 HydrophobicContact CE1-CB 4.1Å; F36-Q145 HydrophobicContact CE2-CB 3.97Å; F36-Q145 HydrophobicContact CE2-CG 3.92Å; F36-Q145 HydrophobicContact CZ-CB 3.84Å; F36-Q145 HydrophobicContact CZ-CG 4.11Å; F36-Q145 PolarHBondContact N-O 3.36Å; F36-Q145 VanDerWaalsContact N-O 3.09Å; F36-Q145 PolarHBondContact O-N 3.39Å; C38-Q145 VanDerWaalsContact SG-CG 3.59Å; C38-Q145 PolarHBondContact SG-NE2 3.46Å; C38-Q145 VanDerWaalsContact SG-NE2 3.44Å; V137-Q145 HydrophobicContact CG1-CG 4Å; T142-Q145 PolarHBondContact O-NE2 3.42Å
146T92.9Very high93.7Very high91 Ų9183 Ų8356%0.55849%0.486SS*.  trans-101.7-23.5177.158.90000112.8L144L144-T146 HydrophobicContact CD2-CG2 3.99Å; L144-T146 HydrophobicContact CG-CG2 4.09Å
147T91.5Very high93.7Very high122 Ų12281.5 Ų81.575%0.74848%0.477SS*.SBendtrans-127117.1-177.3-540000109.9
148Y94.1Very high93.8Very high13 Ų1381.6 Ų81.65%0.05148%0.476CS..  trans-158162178.160.1-86.3000110.9W34 F36 F129 P135 N136 F162W34-Y148 WeakPolarHBondContact O-CE1 3.49Å; W34-Y148 PolarHBondContact O-OH 2.98Å; F36-Y148 HydrophobicContact CD1-CD1 4.18Å; F36-Y148 AromaticContact CD1-CE1 3.68Å; F36-Y148 HydrophobicContact CD1-CE1 3.68Å; F36-Y148 AromaticContact CD1-CZ 3.91Å; F36-Y148 AromaticContact CE1-CD1 3.54Å; F36-Y148 HydrophobicContact CE1-CD1 3.54Å; F36-Y148 HydrophobicContact CE1-CD2 4.11Å; F36-Y148 AromaticContact CE1-CE1 3.46Å; F36-Y148 HydrophobicContact CE1-CE1 3.46Å; F36-Y148 VanDerWaalsContact CE1-CE1 3.46Å; F36-Y148 HydrophobicContact CE1-CE2 4.05Å; F36-Y148 AromaticContact CE1-CG 3.87Å; F36-Y148 HydrophobicContact CE1-CG 3.87Å; F36-Y148 AromaticContact CE1-CZ 3.72Å; F36-Y148 HydrophobicContact CZ-CD1 4.43Å; F129-Y148 HydrophobicContact CE2-CE2 4.03Å; F129-Y148 HydrophobicContact CZ-CD2 4.38Å; F129-Y148 AromaticContact CZ-CE2 3.63Å; F129-Y148 HydrophobicContact CZ-CE2 3.63Å; F129-Y148 AromaticContact CZ-CZ 3.97Å; P135-Y148 HydrophobicContact CB-CD2 4.03Å; P135-Y148 HydrophobicContact CB-CG 4.4Å; N136-Y148 WeakPolarHBondContact OD1-CA 3.1Å; Y148-F162 HydrophobicContact CE2-CZ 4.37Å; Y148-F162 WeakPolarHBondContact OH-CE1 3.19Å
149T94.5Very high93.9Very high76 Ų7680 Ų8047%0.46647%0.471SS..  trans-119.8143.3170.961.10000109.4P135 N136P135-T149 WeakPolarHBondContact CA-O 3.44Å; N136-T149 PolarHBondContact N-O 3.45Å; N136-T149 PolarHBondContact ND2-OG1 2.67Å; N136-T149 PolarHBondContact OD1-N 3Å; N136-T149 PolarHBondContact OD1-O 3.06Å; N136-T149 PolarHBondContact OD1-OG1 3.2Å
150C95.5Very high94.2Very high32 Ų3275 Ų7522%0.21644%0.439CS..BIsolated β-bridgetrans-82130.7173.1-63.90000109C133 I158C133-C150 HydrophobicContact CB-CB 3.92Å; C133-C150 WeakPolarHBondContact CB-SG 3.34Å; C133-C150 CarbonylContact O-C 3.29Å; C133-C150 VanDerWaalsContact O-C 3.29Å; C133-C150 WeakPolarHBondContact O-CA 3.29Å; C133-C150 WeakPolarHBondContact O-CB 3.29Å; C133-C150 WeakPolarHBondContact SG-CA 3.4Å; C133-C150 WeakPolarHBondContact SG-CB 3.29Å; C133-C150 CovalentContact SG-SG 2.04Å; C133-C150 PolarHBondContact SG-SG 3.12Å; C150-I158 HydrophobicContact CB-CD1 4.11Å; C150-I158 HydrophobicContact CB-CG1 4.26Å; C150-I158 HydrophobicContact CB-CG2 3.86Å
151Q96.7Very high94.5Very high130 Ų13068.4 Ų68.461%0.60740%0.403SS*.  trans-94.6-2.9176.7-57.1179.4-51.100112.9C133 R134 N136C133-Q151 PolarHBondContact O-N 3.29Å; R134-Q151 HydrophobicContact CB-CB 4.23Å; R134-Q151 VanDerWaalsContact O-CB 3.28Å; R134-Q151 WeakPolarHBondContact O-CB 3.45Å; R134-Q151 VanDerWaalsContact O-CG 3.3Å; R134-Q151 WeakPolarHBondContact O-CG 3.22Å; R134-Q151 PolarHBondContact O-N 3.08Å; R134-Q151 VanDerWaalsContact O-N 3.11Å; R134-Q151 PolarHBondContact O-OE1 3.09Å; N136-Q151 HydrophobicContact CB-CG 4.07Å
152G95.6Very high94.7Very high19 Ų1967.6 Ų67.620%0.19640%0.397CS..  trans-59.4160.417200000113.1I132 C133 I158I132-G152 WeakPolarHBondContact O-CA 3.36Å; C133-G152 PolarHBondContact O-N 3.14Å; C133-G152 VanDerWaalsContact O-N 3.1Å; G152-I158 VanDerWaalsContact O-CD1 3.29Å; G152-I158 WeakPolarHBondContact O-CD1 3.23Å
153T95.4Very high94.8Very high147 Ų14762.8 Ų62.890%0.90237%0.367SS*.SBendtrans-99-29.4-176.252.70000113.8S155T153-S155 PolarHBondContact O-N 3.3Å
154D95.7Very high94.9Very high73 Ų7361 Ų6139%0.3935%0.348SS..  trans-86.1101.8-178.3-170.9-33000110.8K156 L157 I158D154-K156 PolarHBondContact O-N 3.32Å; D154-K156 WeakPolarHBondContact OD1-CA 3.24Å; D154-K156 WeakPolarHBondContact OD1-CB 3.29Å; D154-K156 PolarHBondContact OD1-N 2.91Å; D154-L157 HydrophobicContact CB-CB 4.03Å; D154-L157 HydrophobicContact CB-CD1 3.93Å; D154-L157 HydrophobicContact CB-CG 4.06Å; D154-L157 PolarHBondContact O-N 3.05Å; D154-L157 PolarHBondContact OD1-N 2.98Å; D154-L157 VanDerWaalsContact OD1-N 3.08Å; D154-I158 VanDerWaalsContact O-CG1 3.26Å; D154-I158 WeakPolarHBondContact O-CG1 3.41Å; D154-I158 PolarHBondContact O-N 2.91Å
155S93.5Very high95Very high91 Ų9159.1 Ų59.164%0.63634%0.336SS*.Hα-helixtrans-61.7-29.2-179.460.20000113.8T153 A159T153-S155 PolarHBondContact O-N 3.3Å; S155-A159 PolarHBondContact O-N 3.48Å
156K93.2Very high95.1Very high169 Ų16958.2 Ų58.274%0.73533%0.332SS*.Hα-helixtrans-72.9-45.2177.8-66.2178.8-178.3172.20110.3D154 I158 A159 D160D154-K156 PolarHBondContact O-N 3.32Å; D154-K156 WeakPolarHBondContact OD1-CA 3.24Å; D154-K156 WeakPolarHBondContact OD1-CB 3.29Å; D154-K156 PolarHBondContact OD1-N 2.91Å; K156-I158 VanDerWaalsContact C-N 3.33Å; K156-A159 PolarHBondContact O-N 3.4Å; K156-D160 WeakPolarHBondContact O-CB 3.23Å; K156-D160 PolarHBondContact O-N 3.02Å
157L95Very high95.3Very high40 Ų4053.9 Ų53.921%0.20931%0.306CS..Hα-helixtrans-65-38.8176-65.8178.5000111.2Y47 I132 D154 A159 D160 V161Y47-L157 HydrophobicContact CE2-CD2 4.16Å; I132-L157 HydrophobicContact CD1-CB 4.36Å; I132-L157 HydrophobicContact CD1-CD1 3.98Å; I132-L157 HydrophobicContact CG2-CB 3.63Å; D154-L157 HydrophobicContact CB-CB 4.03Å; D154-L157 HydrophobicContact CB-CD1 3.93Å; D154-L157 HydrophobicContact CB-CG 4.06Å; D154-L157 PolarHBondContact O-N 3.05Å; D154-L157 PolarHBondContact OD1-N 2.98Å; D154-L157 VanDerWaalsContact OD1-N 3.08Å; L157-A159 VanDerWaalsContact C-N 3.35Å; L157-A159 PolarHBondContact O-N 3.45Å; L157-D160 PolarHBondContact O-N 3.47Å; L157-D160 VanDerWaalsContact O-N 3.12Å; L157-V161 PolarHBondContact O-N 2.94Å; L157-V161 VanDerWaalsContact O-N 3.15Å
158I95.8Very high95.6Very high32 Ų3248.9 Ų48.916%0.16428%0.278CS..Hα-helixtrans-62.8-39.3174.9-69.6165.7000111.8I132 C150 G152 D154 K156 D160 V161 F162I132-I158 HydrophobicContact CG2-CG1 4.15Å; C150-I158 HydrophobicContact CB-CD1 4.11Å; C150-I158 HydrophobicContact CB-CG1 4.26Å; C150-I158 HydrophobicContact CB-CG2 3.86Å; G152-I158 VanDerWaalsContact O-CD1 3.29Å; G152-I158 WeakPolarHBondContact O-CD1 3.23Å; D154-I158 VanDerWaalsContact O-CG1 3.26Å; D154-I158 WeakPolarHBondContact O-CG1 3.41Å; D154-I158 PolarHBondContact O-N 2.91Å; K156-I158 VanDerWaalsContact C-N 3.33Å; I158-D160 VanDerWaalsContact C-N 3.29Å; I158-D160 PolarHBondContact O-N 3.24Å; I158-V161 WeakPolarHBondContact O-CG2 3.48Å; I158-F162 VanDerWaalsContact O-CD2 3.22Å; I158-F162 WeakPolarHBondContact O-CD2 3.19Å; I158-F162 WeakPolarHBondContact O-CE2 3.49Å
159A93.9Very high95.8Very high53 Ų5348.8 Ų48.844%0.43828%0.278SS..Hα-helixtrans-66.1-35.9174.100000111.6S155 K156 L157 V161S155-A159 PolarHBondContact O-N 3.48Å; K156-A159 PolarHBondContact O-N 3.4Å; L157-A159 VanDerWaalsContact C-N 3.35Å; L157-A159 PolarHBondContact O-N 3.45Å; A159-V161 PolarHBondContact O-N 3.17Å
160D94.4Very high96Very high45 Ų4545.1 Ų45.124%0.24126%0.256CS..Hα-helixtrans-73.6-25.7-173.5-161.439.6000113.7R126 K156 L157 I158 F162 L163R126-D160 WeakPolarHBondContact CD-O 3.31Å; R126-D160 VanDerWaalsContact CZ-CG 3.43Å; R126-D160 VanDerWaalsContact CZ-O 3.3Å; R126-D160 IonicContact CZ-OD1 2.64Å; R126-D160 IonicContact CZ-OD2 3.02Å; R126-D160 VanDerWaalsContact CZ-OD2 3.26Å; R126-D160 PolarHBondContact NE-O 3.42Å; R126-D160 VanDerWaalsContact NE-O 3.12Å; R126-D160 IonicContact NH1-OD1 3.26Å; R126-D160 IonicContact NH1-OD2 3.86Å; R126-D160 PolarHBondContact NH1-OD2 3.42Å; R126-D160 IonicContact NH2-OD1 3.85Å; R126-D160 PolarHBondContact NH2-OD1 3.05Å; R126-D160 IonicContact NH2-OD2 3.12Å; R126-D160 PolarHBondContact NH2-OD2 2.95Å; K156-D160 WeakPolarHBondContact O-CB 3.23Å; K156-D160 PolarHBondContact O-N 3.02Å; L157-D160 PolarHBondContact O-N 3.47Å; L157-D160 VanDerWaalsContact O-N 3.12Å; I158-D160 VanDerWaalsContact C-N 3.29Å; I158-D160 PolarHBondContact O-N 3.24Å; D160-F162 PolarHBondContact O-N 2.61Å; D160-F162 VanDerWaalsContact O-N 3.15Å; D160-L163 PolarHBondContact O-N 2.99Å
161V96.5Very high96.1Very high0 Ų043.6 Ų43.60%025%0.246CC..THydrogen-bonded Turntrans-65.5-15.7178.4-67.50000114.1L125 R126 F129 I132 L157 I158 A159L125-V161 CarbonylContact C-O 2.95Å; L125-V161 WeakPolarHBondContact CA-O 3.4Å; R126-V161 PolarHBondContact N-O 3.02Å; F129-V161 HydrophobicContact CB-CB 4.45Å; F129-V161 HydrophobicContact CD2-CB 4.06Å; F129-V161 HydrophobicContact CD2-CG2 3.79Å; F129-V161 HydrophobicContact CE2-CG2 4.36Å; I132-V161 HydrophobicContact CB-CG1 3.74Å; I132-V161 HydrophobicContact CG1-CG1 4.2Å; I132-V161 HydrophobicContact CG2-CG1 3.78Å; L157-V161 PolarHBondContact O-N 2.94Å; L157-V161 VanDerWaalsContact O-N 3.15Å; I158-V161 WeakPolarHBondContact O-CG2 3.48Å; A159-V161 PolarHBondContact O-N 3.17Å
162F96.2Very high96.2Very high10 Ų1038 Ų384%0.04422%0.22CC..THydrogen-bonded Turntrans-91.13.6175.3-60.4-79000113.1S31 K33 G123 R124 L125 F129 Y148 I158 D160S31-F162 VanDerWaalsContact OG-CB 3.24Å; S31-F162 WeakPolarHBondContact OG-CB 3.46Å; K33-F162 HydrophobicContact CG-CE1 4.46Å; K33-F162 HydrophobicContact CG-CZ 4.5Å; G123-F162 CarbonylContact C-O 3.38Å; G123-F162 WeakPolarHBondContact CA-O 3.34Å; R124-F162 PolarHBondContact N-O 3.26Å; R124-F162 CarbonylContact O-C 3.53Å; R124-F162 VanDerWaalsContact O-C 3.31Å; L125-F162 HydrophobicContact CD2-CD1 3.45Å; L125-F162 VanDerWaalsContact CD2-CD1 3.45Å; L125-F162 HydrophobicContact CD2-CE1 3.52Å; L125-F162 HydrophobicContact CD2-CG 4.45Å; F129-F162 HydrophobicContact CE2-CE1 4.22Å; F129-F162 HydrophobicContact CE2-CZ 4.11Å; Y148-F162 HydrophobicContact CE2-CZ 4.37Å; Y148-F162 WeakPolarHBondContact OH-CE1 3.19Å; I158-F162 VanDerWaalsContact O-CD2 3.22Å; I158-F162 WeakPolarHBondContact O-CD2 3.19Å; I158-F162 WeakPolarHBondContact O-CE2 3.49Å; D160-F162 PolarHBondContact O-N 2.61Å; D160-F162 VanDerWaalsContact O-N 3.15Å
163L95.9Very high96.3Very high16 Ų1637.1 Ų37.18%0.08421%0.211CC..  trans-111.143.2-172.2-59.6178000112K119 Y120 D160K119-L163 HydrophobicContact CB-CD2 4.27Å; K119-L163 PolarHBondContact NZ-O 2.95Å; Y120-L163 HydrophobicContact CD1-CD2 4.05Å; Y120-L163 HydrophobicContact CD2-CD2 4.02Å; Y120-L163 HydrophobicContact CE1-CD1 4.37Å; Y120-L163 HydrophobicContact CE1-CD2 4.1Å; Y120-L163 HydrophobicContact CE2-CD1 4.34Å; Y120-L163 HydrophobicContact CE2-CD2 4.09Å; Y120-L163 HydrophobicContact CG-CD2 4.02Å; D160-L163 PolarHBondContact O-N 2.99Å
164S97.3Very high96.5Very high0 Ų030.1 Ų30.10%017%0.168CC..  trans-74-70.2179.6-153.60000111.7K119 R124 L125 M166 H221 D225K119-S164 PolarHBondContact NZ-O 3.33Å; K119-S164 VanDerWaalsContact NZ-O 3.15Å; R124-S164 WeakPolarHBondContact O-CB 3.39Å; R124-S164 PolarHBondContact O-N 3.45Å; L125-S164 WeakPolarHBondContact O-CB 3.44Å; S164-M166 CarbonylContact O-C 2.86Å; S164-H221 PolarHBondContact O-CE1 3.15Å; S164-H221 PolarHBondContact O-ND1 2.82Å; S164-D225 WeakPolarHBondContact CB-OD2 3.29Å; S164-D225 PolarHBondContact OG-OD2 3.15Å
165F97.1Very high96.6Very high45 Ų4526.6 Ų26.620%0.19715%0.149CC..SBendtrans-82.5132.5-172.9-172.3-81.9000112.1T118 K119 L122 R124 D225 A228T118-F165 HydrophobicContact CG2-CD1 3.7Å; T118-F165 HydrophobicContact CG2-CE1 3.73Å; K119-F165 WeakPolarHBondContact CA-O 3.3Å; K119-F165 WeakPolarHBondContact CG-O 3.25Å; L122-F165 HydrophobicContact CD1-CD1 3.43Å; L122-F165 VanDerWaalsContact CD1-CD1 3.43Å; L122-F165 HydrophobicContact CD1-CE1 3.9Å; L122-F165 HydrophobicContact CD1-CG 4.22Å; R124-F165 HydrophobicContact CB-CB 3.93Å; R124-F165 HydrophobicContact CG-CB 4.5Å; F165-D225 HydrophobicContact CD2-CB 4.25Å; F165-D225 VanDerWaalsContact CD2-OD1 3.26Å; F165-D225 WeakPolarHBondContact CD2-OD1 3.45Å; F165-A228 HydrophobicContact CD2-CB 4.5Å; F165-A228 HydrophobicContact CE2-CB 3.46Å; F165-A228 VanDerWaalsContact CE2-CB 3.46Å; F165-A228 HydrophobicContact CZ-CB 3.52Å
166M95.8Very high96.9Very high19 Ų1922.3 Ų22.39%0.09412%0.119CC..SBendcis-94.6161.7-10.763.3-177.377.300110.4T115 T118 K119 S164 G168 A228 L232T115-M166 HydrophobicContact CG2-CG 4.01Å; T118-M166 HydrophobicContact CG2-CE 3.76Å; K119-M166 WeakPolarHBondContact CE-O 3.43Å; K119-M166 WeakPolarHBondContact CG-O 3.38Å; K119-M166 PolarHBondContact NZ-O 2.89Å; S164-M166 CarbonylContact O-C 2.86Å; M166-G168 PolarHBondContact O-N 3.43Å; M166-A228 HydrophobicContact CB-CB 4.31Å; M166-L232 HydrophobicContact CE-CD2 4.11Å; M166-L232 HydrophobicContact SD-CB 3.92Å; M166-L232 HydrophobicContact SD-CD2 3.29Å; M166-L232 WeakPolarHBondContact SD-CD2 3.07Å; M166-L232 HydrophobicContact SD-CG 4.2Å
167S98.2Very high97.1Very high0 Ų014.3 Ų14.30%09%0.085CC..PPolyproline II helixtrans-66.7121.4-176.21800000112.4A170 S171 H221 D225S167-A170 PolarHBondContact OG-N 3.05Å; S167-S171 WeakPolarHBondContact O-CB 3.27Å; S167-S171 PolarHBondContact O-N 3.22Å; S167-S171 PolarHBondContact O-OG 2.9Å; S167-H221 WeakPolarHBondContact CB-CD2 3.17Å; S167-H221 PolarHBondContact OG-CD2 3.11Å; S167-H221 PolarHBondContact OG-NE2 3.2Å; S167-D225 PolarHBondContact N-O 2.98Å
168G97.1Very high97.3Very high17 Ų1714.7 Ų14.718%0.1759%0.085CC..Hα-helixtrans-73.1-33.2177.600000113.8M166 S171 T172M166-G168 PolarHBondContact O-N 3.43Å; G168-S171 PolarHBondContact O-OG 2.91Å; G168-T172 VanDerWaalsContact O-CB 3.3Å; G168-T172 WeakPolarHBondContact O-CB 3.32Å; G168-T172 PolarHBondContact O-N 3.14Å; G168-T172 PolarHBondContact O-OG1 3.01Å; G168-T172 VanDerWaalsContact O-OG1 3.05Å
169H98.2Very high97.4Very high10 Ų1013.2 Ų13.25%0.0468%0.077CC..Hα-helixtrans-64.1-47.5172.6-74.476.2000111I52 N54 V57 A173 I211 R215I52-H169 PolarHBondContact O-NE2 3.3Å; I52-H169 VanDerWaalsContact O-NE2 3.1Å; N54-H169 PolarHBondContact OD1-CE1 2.91Å; V57-H169 WeakPolarHBondContact CG1-CD2 3.44Å; V57-H169 HydrophobicContact CG2-CB 4.3Å; H169-A173 WeakPolarHBondContact O-CB 3.25Å; H169-A173 PolarHBondContact O-N 2.96Å; H169-I211 HydrophobicContact CB-CG2 4.12Å; H169-R215 HydrophobicContact CB-CG 3.83Å; H169-R215 PolarHBondContact CD2-NH1 2.82Å
170A98.7Very high97.7Very high0 Ų010.8 Ų10.80%06%0.057CC..Hα-helixtrans-65.6-43.7-179.400000111.4S167 S174 V226S167-A170 PolarHBondContact OG-N 3.05Å; A170-S174 WeakPolarHBondContact O-CB 3.33Å; A170-S174 PolarHBondContact O-N 3.25Å; A170-V226 HydrophobicContact CB-CG1 3.97Å
171S98.5Very high97.9Very high0 Ų09.6 Ų9.60%05%0.051CC..Hα-helixtrans-67.8-50.5-178.667.60000112.7T111 T115 S167 G168 S174 A175 G229T111-S171 WeakPolarHBondContact CG2-O 3.44Å; T115-S171 WeakPolarHBondContact OG1-CB 3.35Å; T115-S171 PolarHBondContact OG1-OG 3.38Å; S167-S171 WeakPolarHBondContact O-CB 3.27Å; S167-S171 PolarHBondContact O-N 3.22Å; S167-S171 PolarHBondContact O-OG 2.9Å; G168-S171 PolarHBondContact O-OG 2.91Å; S171-S174 PolarHBondContact O-N 3.44Å; S171-A175 WeakPolarHBondContact O-CB 3.36Å; S171-A175 PolarHBondContact O-N 2.93Å; S171-G229 WeakPolarHBondContact CA-O 3.3Å; S171-G229 VanDerWaalsContact CB-O 3.24Å; S171-G229 WeakPolarHBondContact CB-O 3.42Å
172T97.9Very high97.9Very high12 Ų1211 Ų117%0.0746%0.058CC..Hα-helixtrans-65-42.8-179.6-56.40000112Y62 L108 G168 A175 S176Y62-T172 HydrophobicContact CE2-CG2 4.5Å; L108-T172 HydrophobicContact CD2-CG2 3.77Å; G168-T172 VanDerWaalsContact O-CB 3.3Å; G168-T172 WeakPolarHBondContact O-CB 3.32Å; G168-T172 PolarHBondContact O-N 3.14Å; G168-T172 PolarHBondContact O-OG1 3.01Å; G168-T172 VanDerWaalsContact O-OG1 3.05Å; T172-A175 PolarHBondContact O-N 3.05Å; T172-S176 WeakPolarHBondContact O-CB 3.34Å; T172-S176 PolarHBondContact O-N 3.03Å; T172-S176 VanDerWaalsContact O-N 3.12Å
173A98.7Very high98Very high0 Ų010.5 Ų10.50%06%0.056CC..Hα-helixtrans-64.9-41.6175.500000111.6V57 H169 S176 L177 L208 I211V57-A173 HydrophobicContact CG2-CB 4.13Å; H169-A173 WeakPolarHBondContact O-CB 3.25Å; H169-A173 PolarHBondContact O-N 2.96Å; A173-S176 PolarHBondContact O-N 3.35Å; A173-L177 HydrophobicContact CB-CD1 4.38Å; A173-L177 VanDerWaalsContact O-CB 3.28Å; A173-L177 WeakPolarHBondContact O-CB 3.31Å; A173-L177 VanDerWaalsContact O-CG 3.22Å; A173-L177 WeakPolarHBondContact O-CG 3.46Å; A173-L177 PolarHBondContact O-N 3.41Å; A173-L208 HydrophobicContact CB-CD1 3.94Å; A173-I211 HydrophobicContact CB-CD1 3.85Å; A173-I211 HydrophobicContact CB-CG2 4.02Å
174S98.8Very high98Very high0 Ų09.9 Ų9.90%05%0.053CC..Hα-helixtrans-61.4-48.1177.4-178.60000111.4A170 S171 S176 L177 F178 A230 F234A170-S174 WeakPolarHBondContact O-CB 3.33Å; A170-S174 PolarHBondContact O-N 3.25Å; S171-S174 PolarHBondContact O-N 3.44Å; S174-S176 VanDerWaalsContact C-N 3.32Å; S174-S176 PolarHBondContact O-N 2.68Å; S174-L177 PolarHBondContact O-N 3.03Å; S174-F178 WeakPolarHBondContact O-CB 3.4Å; S174-F178 WeakPolarHBondContact O-CD2 3.4Å; S174-F178 PolarHBondContact O-N 3.22Å; S174-F178 WeakPolarHBondContact OG-CD2 3.44Å; S174-F178 VanDerWaalsContact OG-CE2 3.31Å; S174-F178 WeakPolarHBondContact OG-CE2 2.87Å; S174-A230 WeakPolarHBondContact CB-O 3.44Å; S174-A230 PolarHBondContact OG-O 3.07Å; S174-F234 PolarHBondContact OG-N 3.32Å; S174-F234 VanDerWaalsContact OG-N 3.17Å
175A98.6Very high98Very high0 Ų014.6 Ų14.60%08%0.075CC..Hα-helixtrans-57-44.9177.200000112.4L108 T111 S171 T172 F179 G233 S237L108-A175 HydrophobicContact CD2-CB 4.3Å; T111-A175 HydrophobicContact CG2-CB 4.03Å; T111-A175 VanDerWaalsContact OG1-CB 3.29Å; T111-A175 WeakPolarHBondContact OG1-CB 3.39Å; S171-A175 WeakPolarHBondContact O-CB 3.36Å; S171-A175 PolarHBondContact O-N 2.93Å; T172-A175 PolarHBondContact O-N 3.05Å; A175-F179 WeakPolarHBondContact O-CB 3.24Å; A175-F179 PolarHBondContact O-N 3.06Å; A175-G233 VanDerWaalsContact CA-O 3.29Å; A175-G233 WeakPolarHBondContact CA-O 3.47Å; A175-S237 WeakPolarHBondContact O-CB 3.37Å
176S98.6Very high97.8Very high1 Ų114.5 Ų14.51%0.0078%0.082CC..Hα-helixtrans-66-54.5178.1177.90000113.4S61 P65 T172 A173 S174 F179 T180S61-S176 WeakPolarHBondContact CA-OG 3.23Å; S61-S176 WeakPolarHBondContact O-CB 3.47Å; S61-S176 PolarHBondContact O-OG 3.33Å; P65-S176 VanDerWaalsContact CD-OG 3.25Å; P65-S176 WeakPolarHBondContact CD-OG 3.48Å; T172-S176 WeakPolarHBondContact O-CB 3.34Å; T172-S176 PolarHBondContact O-N 3.03Å; T172-S176 VanDerWaalsContact O-N 3.12Å; A173-S176 PolarHBondContact O-N 3.35Å; S174-S176 VanDerWaalsContact C-N 3.32Å; S174-S176 PolarHBondContact O-N 2.68Å; S176-F179 PolarHBondContact O-N 2.86Å; S176-T180 WeakPolarHBondContact O-CB 3.29Å; S176-T180 PolarHBondContact O-N 2.86Å; S176-T180 PolarHBondContact O-OG1 2.72Å
177L98.7Very high97.7Very high1 Ų115.9 Ų15.91%0.0059%0.086CC..Hα-helixtrans-77-36.9-166.9-62.2175.2000110.8T64 A173 S174 T180 V181 L204 V207 L208T64-L177 HydrophobicContact CG2-CD2 3.95Å; A173-L177 HydrophobicContact CB-CD1 4.38Å; A173-L177 VanDerWaalsContact O-CB 3.28Å; A173-L177 WeakPolarHBondContact O-CB 3.31Å; A173-L177 VanDerWaalsContact O-CG 3.22Å; A173-L177 WeakPolarHBondContact O-CG 3.46Å; A173-L177 PolarHBondContact O-N 3.41Å; S174-L177 PolarHBondContact O-N 3.03Å; L177-T180 PolarHBondContact O-N 3.04Å; L177-V181 WeakPolarHBondContact O-CB 3.31Å; L177-V181 VanDerWaalsContact O-CG2 3.25Å; L177-V181 WeakPolarHBondContact O-CG2 3.38Å; L177-V181 PolarHBondContact O-N 2.82Å; L177-L204 HydrophobicContact CD2-CB 4.49Å; L177-L204 HydrophobicContact CD2-CD2 3.8Å; L177-V207 HydrophobicContact CD1-CB 4.4Å; L177-V207 HydrophobicContact CD1-CG1 4.05Å; L177-L208 HydrophobicContact CB-CB 4.47Å; L177-L208 HydrophobicContact CD1-CB 3.68Å; L177-L208 HydrophobicContact CD1-CD1 4.42Å
178F98.7Very high97.6Very high47 Ų4716.2 Ų16.221%0.2069%0.088CC..Hα-helixtrans-67.4-41.4170.8-77.5-66.1000112.4S174 T180 V181 I182 L205 L208 F234 S237S174-F178 WeakPolarHBondContact O-CB 3.4Å; S174-F178 WeakPolarHBondContact O-CD2 3.4Å; S174-F178 PolarHBondContact O-N 3.22Å; S174-F178 WeakPolarHBondContact OG-CD2 3.44Å; S174-F178 VanDerWaalsContact OG-CE2 3.31Å; S174-F178 WeakPolarHBondContact OG-CE2 2.87Å; F178-T180 PolarHBondContact O-N 2.69Å; F178-V181 PolarHBondContact O-N 3.47Å; F178-I182 VanDerWaalsContact O-CG1 3.25Å; F178-I182 WeakPolarHBondContact O-CG1 3.25Å; F178-I182 PolarHBondContact O-N 3.4Å; F178-L205 HydrophobicContact CD1-CD2 4.08Å; F178-L205 HydrophobicContact CE1-CD2 3.62Å; F178-L205 HydrophobicContact CZ-CD2 4.23Å; F178-L208 HydrophobicContact CD2-CD2 3.88Å; F178-L208 HydrophobicContact CE2-CD2 3.37Å; F178-L208 HydrophobicContact CZ-CD2 3.81Å; F178-F234 HydrophobicContact CB-CD2 4.1Å; F178-F234 AromaticContact CD1-CD2 3.72Å; F178-F234 HydrophobicContact CD1-CD2 3.72Å; F178-F234 HydrophobicContact CD1-CE2 4.1Å; F178-F234 HydrophobicContact CD2-CB 3.88Å; F178-F234 AromaticContact CD2-CD2 3.76Å; F178-F234 HydrophobicContact CD2-CD2 3.76Å; F178-F234 HydrophobicContact CD2-CG 4.3Å; F178-F234 AromaticContact CE1-CD2 3.97Å; F178-F234 HydrophobicContact CE1-CD2 3.97Å; F178-F234 HydrophobicContact CE1-CE2 4.31Å; F178-F234 HydrophobicContact CE2-CB 3.99Å; F178-F234 HydrophobicContact CE2-CD2 4Å; F178-F234 HydrophobicContact CE2-CG 4.38Å; F178-F234 AromaticContact CG-CD2 3.61Å; F178-F234 HydrophobicContact CG-CD2 3.61Å; F178-F234 HydrophobicContact CG-CE2 4.38Å; F178-F234 HydrophobicContact CZ-CD2 4.11Å; F178-S237 WeakPolarHBondContact CB-OG 3.33Å
179F98.5Very high97.3Very high2 Ų221 Ų211%0.00911%0.106CC..Hα-helixtrans-55.8-45.6173.5-174.9-78.4000110.5P65 I69 F100 A103 A104 A175 S176 I182 Y183 F241P65-F179 HydrophobicContact CB-CD1 4.46Å; I69-F179 HydrophobicContact CD1-CE1 4.17Å; F100-F179 HydrophobicContact CD1-CZ 4.41Å; F100-F179 WeakPolarHBondContact O-CZ 3.39Å; A103-F179 HydrophobicContact CB-CE2 3.79Å; A103-F179 HydrophobicContact CB-CZ 3.82Å; A104-F179 HydrophobicContact CB-CD1 3.84Å; A104-F179 HydrophobicContact CB-CE1 3.64Å; A104-F179 HydrophobicContact CB-CE2 4.32Å; A104-F179 HydrophobicContact CB-CG 4.31Å; A104-F179 HydrophobicContact CB-CZ 3.89Å; A175-F179 WeakPolarHBondContact O-CB 3.24Å; A175-F179 PolarHBondContact O-N 3.06Å; S176-F179 PolarHBondContact O-N 2.86Å; F179-I182 PolarHBondContact O-N 3.46Å; F179-Y183 VanDerWaalsContact O-CB 3.25Å; F179-Y183 WeakPolarHBondContact O-CB 3.4Å; F179-Y183 PolarHBondContact O-N 3.23Å; F179-F241 HydrophobicContact CD2-CB 4.41Å; F179-F241 HydrophobicContact CD2-CD2 4.18Å; F179-F241 HydrophobicContact CE1-CD2 4.29Å; F179-F241 HydrophobicContact CE2-CB 4.26Å; F179-F241 AromaticContact CE2-CD2 3.81Å; F179-F241 HydrophobicContact CE2-CD2 3.81Å; F179-F241 AromaticContact CZ-CD2 3.86Å; F179-F241 HydrophobicContact CZ-CD2 3.86Å; F179-F241 HydrophobicContact CZ-CE2 4.39Å
180T98.6Very high96.9Very high1 Ų122.5 Ų22.51%0.00611%0.114CC..Hα-helixtrans-64.7-41.7179.3-52.70000111.9T64 P65 T68 S176 L177 F178 Y183 L184 L204T64-T180 HydrophobicContact CG2-CG2 4.22Å; P65-T180 WeakPolarHBondContact CA-OG1 3.47Å; P65-T180 WeakPolarHBondContact CB-OG1 3.33Å; T68-T180 HydrophobicContact CG2-CG2 3.82Å; S176-T180 WeakPolarHBondContact O-CB 3.29Å; S176-T180 PolarHBondContact O-N 2.86Å; S176-T180 PolarHBondContact O-OG1 2.72Å; L177-T180 PolarHBondContact O-N 3.04Å; F178-T180 PolarHBondContact O-N 2.69Å; T180-Y183 PolarHBondContact O-N 3.32Å; T180-L184 HydrophobicContact CG2-CD1 4.34Å; T180-L184 HydrophobicContact CG2-CG 4.46Å; T180-L184 WeakPolarHBondContact O-CB 3.31Å; T180-L184 VanDerWaalsContact O-CG 3.29Å; T180-L184 WeakPolarHBondContact O-CG 3.28Å; T180-L184 PolarHBondContact O-N 3.44Å; T180-L204 HydrophobicContact CG2-CD1 3.59Å
181V98.5Very high96.4Very high21 Ų2128.5 Ų28.513%0.12715%0.153CC..Hα-helixtrans-61.4-45.8176.4164.60000111.5L177 F178 L184 Q185 Q201 L204 L205L177-V181 WeakPolarHBondContact O-CB 3.31Å; L177-V181 VanDerWaalsContact O-CG2 3.25Å; L177-V181 WeakPolarHBondContact O-CG2 3.38Å; L177-V181 PolarHBondContact O-N 2.82Å; F178-V181 PolarHBondContact O-N 3.47Å; V181-L184 PolarHBondContact O-N 3.28Å; V181-Q185 PolarHBondContact O-N 2.91Å; V181-Q201 HydrophobicContact CB-CG 4.43Å; V181-Q201 HydrophobicContact CG1-CB 4.2Å; V181-Q201 HydrophobicContact CG1-CG 4.01Å; V181-Q201 HydrophobicContact CG2-CB 4.24Å; V181-Q201 HydrophobicContact CG2-CG 4.36Å; V181-Q201 PolarHBondContact O-NE2 3.41Å; V181-L204 HydrophobicContact CG2-CB 3.94Å; V181-L204 HydrophobicContact CG2-CD1 4.01Å; V181-L205 HydrophobicContact CG2-CD2 4.29Å; V181-L205 HydrophobicContact CG2-CG 4.22Å
182I97.6Very high96Very high28 Ų2833.1 Ų33.114%0.14419%0.191CC..Hα-helixtrans-65.4-43.7177.6-62.8164.6000110F178 F179 L184 Q185 A186 V238 F241 F242F178-I182 VanDerWaalsContact O-CG1 3.25Å; F178-I182 WeakPolarHBondContact O-CG1 3.25Å; F178-I182 PolarHBondContact O-N 3.4Å; F179-I182 PolarHBondContact O-N 3.46Å; I182-L184 PolarHBondContact O-N 2.98Å; I182-Q185 WeakPolarHBondContact O-CB 3.28Å; I182-Q185 PolarHBondContact O-N 2.91Å; I182-A186 PolarHBondContact O-N 2.8Å; I182-V238 HydrophobicContact CD1-CG2 3.98Å; I182-F241 HydrophobicContact CB-CD2 4.34Å; I182-F241 HydrophobicContact CB-CG 4.41Å; I182-F241 HydrophobicContact CG2-CB 4.29Å; I182-F241 HydrophobicContact CG2-CD1 3.44Å; I182-F241 VanDerWaalsContact CG2-CD1 3.44Å; I182-F241 HydrophobicContact CG2-CD2 3.84Å; I182-F241 HydrophobicContact CG2-CE1 3.61Å; I182-F241 HydrophobicContact CG2-CE2 4.01Å; I182-F241 HydrophobicContact CG2-CG 3.56Å; I182-F241 HydrophobicContact CG2-CZ 3.89Å; I182-F242 HydrophobicContact CG2-CE2 4.36Å; I182-F242 HydrophobicContact CG2-CZ 4.16Å
183Y97.5Very high95.8Very high0 Ų036.9 Ų36.90%021%0.21CC..Hα-helixtrans-57.9-48.3175.2172.3-98.9000112.3T68 I69 V72 E73 F100 F179 T180 Q185 A186 R187 F241T68-Y183 HydrophobicContact CG2-CD1 4.22Å; T68-Y183 HydrophobicContact CG2-CE1 4.25Å; I69-Y183 HydrophobicContact CB-CE1 4.36Å; I69-Y183 HydrophobicContact CG1-CD1 4.09Å; I69-Y183 HydrophobicContact CG1-CD2 4.11Å; I69-Y183 HydrophobicContact CG1-CE1 3.91Å; I69-Y183 HydrophobicContact CG1-CE2 3.91Å; I69-Y183 HydrophobicContact CG1-CG 4.2Å; I69-Y183 HydrophobicContact CG2-CE2 4.46Å; I69-Y183 PolarHBondContact O-OH 3.01Å; V72-Y183 HydrophobicContact CB-CE1 3.84Å; V72-Y183 WeakPolarHBondContact CB-OH 3.46Å; V72-Y183 HydrophobicContact CG1-CE1 4.02Å; V72-Y183 WeakPolarHBondContact CG1-OH 3.34Å; V72-Y183 HydrophobicContact CG2-CE1 4.06Å; E73-Y183 WeakPolarHBondContact CG-OH 3.41Å; E73-Y183 PolarHBondContact OE1-OH 3.48Å; F100-Y183 HydrophobicContact CB-CD2 4.36Å; F100-Y183 HydrophobicContact CB-CE2 4.15Å; F100-Y183 AromaticContact CD1-CD2 3.36Å; F100-Y183 HydrophobicContact CD1-CD2 3.36Å; F100-Y183 AromaticContact CD1-CE2 3.68Å; F100-Y183 HydrophobicContact CD1-CE2 3.68Å; F100-Y183 HydrophobicContact CD2-CD2 4.43Å; F100-Y183 AromaticContact CD2-CE2 3.9Å; F100-Y183 HydrophobicContact CD2-CE2 3.9Å; F100-Y183 AromaticContact CE1-CD2 3.64Å; F100-Y183 HydrophobicContact CE1-CD2 3.64Å; F100-Y183 AromaticContact CE1-CE2 3.99Å; F100-Y183 HydrophobicContact CE1-CE2 3.99Å; F100-Y183 HydrophobicContact CE2-CE2 4.31Å; F100-Y183 AromaticContact CG-CD2 3.8Å; F100-Y183 HydrophobicContact CG-CD2 3.8Å; F100-Y183 AromaticContact CG-CE2 3.62Å; F100-Y183 HydrophobicContact CG-CE2 3.62Å; F100-Y183 HydrophobicContact CZ-CD2 4.36Å; F100-Y183 HydrophobicContact CZ-CE2 4.33Å; F179-Y183 VanDerWaalsContact O-CB 3.25Å; F179-Y183 WeakPolarHBondContact O-CB 3.4Å; F179-Y183 PolarHBondContact O-N 3.23Å; T180-Y183 PolarHBondContact O-N 3.32Å; Y183-Q185 VanDerWaalsContact C-N 3.28Å; Y183-Q185 PolarHBondContact O-N 3.38Å; Y183-A186 PolarHBondContact O-N 2.99Å; Y183-A186 VanDerWaalsContact O-N 3.11Å; Y183-R187 HydrophobicContact CD2-CB 4.33Å; Y183-R187 HydrophobicContact CD2-CG 3.83Å; Y183-R187 HydrophobicContact CE1-CB 4.4Å; Y183-R187 HydrophobicContact CE2-CB 3.84Å; Y183-R187 HydrophobicContact CE2-CG 3.44Å; Y183-R187 VanDerWaalsContact CE2-CG 3.44Å; Y183-R187 WeakPolarHBondContact O-CB 3.18Å; Y183-R187 PolarHBondContact O-N 3.46Å; Y183-F241 VanDerWaalsContact CA-CE2 3.49Å; Y183-F241 HydrophobicContact CD2-CE2 4.35Å
184L97.6Very high95.6Very high4 Ų440.8 Ų40.82%0.02124%0.235CC..Hα-helixtrans-59-41.5176.5-74.9174.1000111.2T68 V72 T180 V181 I182 A186 L188 R197 L200 Q201 L204T68-L184 HydrophobicContact CG2-CD2 3.64Å; T68-L184 HydrophobicContact CG2-CG 4.1Å; V72-L184 HydrophobicContact CG2-CD2 4.01Å; T180-L184 HydrophobicContact CG2-CD1 4.34Å; T180-L184 HydrophobicContact CG2-CG 4.46Å; T180-L184 WeakPolarHBondContact O-CB 3.31Å; T180-L184 VanDerWaalsContact O-CG 3.29Å; T180-L184 WeakPolarHBondContact O-CG 3.28Å; T180-L184 PolarHBondContact O-N 3.44Å; V181-L184 PolarHBondContact O-N 3.28Å; I182-L184 PolarHBondContact O-N 2.98Å; L184-A186 VanDerWaalsContact C-N 3.3Å; L184-A186 PolarHBondContact O-N 3.3Å; L184-L188 HydrophobicContact CD2-CB 4.15Å; L184-L188 HydrophobicContact CD2-CD2 3.89Å; L184-L188 VanDerWaalsContact O-CB 3.31Å; L184-L188 WeakPolarHBondContact O-CB 3.48Å; L184-L188 PolarHBondContact O-N 2.95Å; L184-R197 VanDerWaalsContact O-CD 3.29Å; L184-R197 WeakPolarHBondContact O-CD 3.28Å; L184-L200 HydrophobicContact CD1-CB 4.03Å; L184-Q201 HydrophobicContact CB-CG 4.21Å; L184-Q201 HydrophobicContact CD1-CG 4.22Å; L184-L204 HydrophobicContact CD1-CD1 3.69Å
185Q96Very high95.4Very high99 Ų9948.9 Ų48.946%0.46327%0.271SS..Hα-helixtrans-59.7-43.2175.6-174.859.515.400111.7V181 I182 Y183V181-Q185 PolarHBondContact O-N 2.91Å; I182-Q185 WeakPolarHBondContact O-CB 3.28Å; I182-Q185 PolarHBondContact O-N 2.91Å; Y183-Q185 VanDerWaalsContact C-N 3.28Å; Y183-Q185 PolarHBondContact O-N 3.38Å
186A93.5Very high95.3Very high43 Ų4351.9 Ų51.936%0.35529%0.286SS..Hα-helixtrans-79.7-29.9-174.800000114.1I182 Y183 L184 H189 F241I182-A186 PolarHBondContact O-N 2.8Å; Y183-A186 PolarHBondContact O-N 2.99Å; Y183-A186 VanDerWaalsContact O-N 3.11Å; L184-A186 VanDerWaalsContact C-N 3.3Å; L184-A186 PolarHBondContact O-N 3.3Å; A186-H189 PolarHBondContact O-CE1 2.92Å; A186-H189 VanDerWaalsContact O-CE1 3.23Å; A186-F241 HydrophobicContact CB-CE1 4.06Å; A186-F241 HydrophobicContact CB-CZ 3.65Å
187R94.2Very high95.2Very high47 Ų4755.1 Ų55.118%0.17730%0.298CS..Hα-helixtrans-119.3-30.8-167.8-61.4-54.4-55.8-76.6-3.8114.7V72 E73 F100 Y183 H189V72-R187 HydrophobicContact CG1-CB 4.1Å; E73-R187 VanDerWaalsContact CD-NH2 3.26Å; E73-R187 IonicContact OE1-CZ 2.95Å; E73-R187 IonicContact OE1-NE 3.74Å; E73-R187 IonicContact OE1-NH1 2.69Å; E73-R187 PolarHBondContact OE1-NH1 3.16Å; E73-R187 IonicContact OE1-NH2 3.07Å; E73-R187 PolarHBondContact OE1-NH2 3.47Å; E73-R187 VanDerWaalsContact OE1-NH2 3.07Å; E73-R187 IonicContact OE2-CZ 3.39Å; E73-R187 IonicContact OE2-NH1 3.37Å; E73-R187 PolarHBondContact OE2-NH1 3.41Å; E73-R187 IonicContact OE2-NH2 2.68Å; E73-R187 PolarHBondContact OE2-NH2 3.32Å; F100-R187 HydrophobicContact CE1-CG 4.34Å; F100-R187 HydrophobicContact CE2-CG 4.26Å; F100-R187 HydrophobicContact CZ-CG 3.9Å; Y183-R187 HydrophobicContact CD2-CB 4.33Å; Y183-R187 HydrophobicContact CD2-CG 3.83Å; Y183-R187 HydrophobicContact CE1-CB 4.4Å; Y183-R187 HydrophobicContact CE2-CB 3.84Å; Y183-R187 HydrophobicContact CE2-CG 3.44Å; Y183-R187 VanDerWaalsContact CE2-CG 3.44Å; Y183-R187 WeakPolarHBondContact O-CB 3.18Å; Y183-R187 PolarHBondContact O-N 3.46Å; R187-H189 PolarHBondContact O-N 2.94Å; R187-H189 PolarHBondContact O-ND1 3.48Å
188L94.7Very high95.1Very high8 Ų857 Ų574%0.04231%0.311CS..  trans-80.5103.5-179.5-172.761.3000110.7V72 L184 L190 R197 L200V72-L188 HydrophobicContact CG1-CB 4.34Å; V72-L188 HydrophobicContact CG1-CD1 4.25Å; V72-L188 HydrophobicContact CG2-CD1 4.22Å; L184-L188 HydrophobicContact CD2-CB 4.15Å; L184-L188 HydrophobicContact CD2-CD2 3.89Å; L184-L188 VanDerWaalsContact O-CB 3.31Å; L184-L188 WeakPolarHBondContact O-CB 3.48Å; L184-L188 PolarHBondContact O-N 2.95Å; L188-L190 HydrophobicContact CD1-CD1 3.59Å; L188-L190 HydrophobicContact CD1-CG 3.83Å; L188-L190 HydrophobicContact CD2-CD1 4.48Å; L188-L190 HydrophobicContact CG-CD1 4.12Å; L188-L190 HydrophobicContact CG-CG 4.31Å; L188-R197 HydrophobicContact CD2-CB 4.13Å; L188-R197 HydrophobicContact CD2-CG 4.44Å; L188-R197 VanDerWaalsContact O-CD 3.29Å; L188-R197 WeakPolarHBondContact O-CD 3.45Å; L188-R197 PolarHBondContact O-NH1 3.04Å; L188-L200 HydrophobicContact CD2-CD1 3.99Å
189H91Very high95.1Very high118 Ų11860.8 Ų60.855%0.54633%0.327SS..  trans-118.6102.4177-66.988.3000110.2A186 R187A186-H189 PolarHBondContact O-CE1 2.92Å; A186-H189 VanDerWaalsContact O-CE1 3.23Å; R187-H189 PolarHBondContact O-N 2.94Å; R187-H189 PolarHBondContact O-ND1 3.48Å
190L89.3Confident95.1Very high41 Ų4163.6 Ų63.622%0.21534%0.342CS..  trans-128.282.1-179.1-63.5175.5000110.3L79 L188 A192 I193 L196L79-L190 HydrophobicContact CD1-CD2 3.47Å; L79-L190 VanDerWaalsContact CD1-CD2 3.47Å; L188-L190 HydrophobicContact CD1-CD1 3.59Å; L188-L190 HydrophobicContact CD1-CG 3.83Å; L188-L190 HydrophobicContact CD2-CD1 4.48Å; L188-L190 HydrophobicContact CG-CD1 4.12Å; L188-L190 HydrophobicContact CG-CG 4.31Å; L190-A192 PolarHBondContact O-N 2.93Å; L190-A192 VanDerWaalsContact O-N 3.15Å; L190-I193 HydrophobicContact CB-CG1 3.74Å; L190-I193 HydrophobicContact CD1-CD1 3.99Å; L190-I193 HydrophobicContact CD1-CG1 4.07Å; L190-I193 CarbonylContact O-C 3.36Å; L190-I193 PolarHBondContact O-N 3.32Å; L190-L196 HydrophobicContact CD1-CD2 3.89Å
191P88.3Confident95.1Very high125 Ų12564.8 Ų64.881%0.81235%0.348SS*.THydrogen-bonded Turntrans-57.7-30.4-176.5-24.934000113.9I193P191-I193 VanDerWaalsContact C-N 3.32Å; P191-I193 PolarHBondContact O-N 3.23Å
192A91.7Very high95.1Very high97 Ų9771.5 Ų71.580%0.80237%0.372SS*.THydrogen-bonded Turntrans-72.2-21.4179.300000114L190L190-A192 PolarHBondContact O-N 2.93Å; L190-A192 VanDerWaalsContact O-N 3.15Å
193I93.6Very high95.1Very high91 Ų9173.3 Ų73.347%0.46738%0.384SS..  trans-137.366.7-178.452.4179000111.1L190 P191 F195 L196L190-I193 HydrophobicContact CB-CG1 3.74Å; L190-I193 HydrophobicContact CD1-CD1 3.99Å; L190-I193 HydrophobicContact CD1-CG1 4.07Å; L190-I193 CarbonylContact O-C 3.36Å; L190-I193 PolarHBondContact O-N 3.32Å; P191-I193 VanDerWaalsContact C-N 3.32Å; P191-I193 PolarHBondContact O-N 3.23Å; I193-F195 PolarHBondContact O-N 2.92Å; I193-F195 VanDerWaalsContact O-N 3.08Å; I193-L196 HydrophobicContact CB-CB 4.44Å; I193-L196 HydrophobicContact CD1-CB 4.13Å; I193-L196 HydrophobicContact CD1-CD2 3.48Å; I193-L196 VanDerWaalsContact CD1-CD2 3.48Å; I193-L196 HydrophobicContact CD1-CG 4.43Å; I193-L196 HydrophobicContact CG1-CB 4.2Å; I193-L196 HydrophobicContact CG1-CD2 4.31Å; I193-L196 PolarHBondContact O-N 3.49Å; I193-L196 VanDerWaalsContact O-N 3.08Å
194P92.9Very high95.2Very high83 Ų8374.3 Ų74.354%0.53939%0.389SS..THydrogen-bonded Turntrans-62.2-25.3-168.325.1-35.2000114P198P194-P198 VanDerWaalsContact O-CD 3.26Å; P194-P198 WeakPolarHBondContact O-CD 3.37Å
195F95.7Very high95.2Very high169 Ų16976.9 Ų76.974%0.74140%0.403SS*.THydrogen-bonded Turntrans-80.4-16-179.9-65.4-69.6000114.4I193 R197 P198 F199I193-F195 PolarHBondContact O-N 2.92Å; I193-F195 VanDerWaalsContact O-N 3.08Å; F195-R197 PolarHBondContact O-N 3.49Å; F195-P198 WeakPolarHBondContact O-CD 3.46Å; F195-P198 WeakPolarHBondContact O-CG 3.47Å; F195-F199 WeakPolarHBondContact O-CB 3.37Å; F195-F199 PolarHBondContact O-N 3.11Å
196L96.2Very high95.4Very high63 Ų6375.8 Ų75.833%0.3341%0.406SS..Hα-helixtrans-63.3-42.9-177.3179.161000111.5L190 I193 F199 L200L190-L196 HydrophobicContact CD1-CD2 3.89Å; I193-L196 HydrophobicContact CB-CB 4.44Å; I193-L196 HydrophobicContact CD1-CB 4.13Å; I193-L196 HydrophobicContact CD1-CD2 3.48Å; I193-L196 VanDerWaalsContact CD1-CD2 3.48Å; I193-L196 HydrophobicContact CD1-CG 4.43Å; I193-L196 HydrophobicContact CG1-CB 4.2Å; I193-L196 HydrophobicContact CG1-CD2 4.31Å; I193-L196 PolarHBondContact O-N 3.49Å; I193-L196 VanDerWaalsContact O-N 3.08Å; L196-F199 PolarHBondContact O-N 3.37Å; L196-L200 HydrophobicContact CD1-CD1 4.09Å; L196-L200 HydrophobicContact CD1-CD2 4.41Å; L196-L200 HydrophobicContact CD1-CG 4.01Å; L196-L200 HydrophobicContact CG-CD1 4.02Å; L196-L200 HydrophobicContact CG-CG 4.37Å; L196-L200 VanDerWaalsContact O-CG 3.29Å; L196-L200 WeakPolarHBondContact O-CG 3.48Å; L196-L200 PolarHBondContact O-N 2.86Å
197R96.3Very high95.6Very high69 Ų6976.4 Ų76.426%0.2641%0.405SS..Hα-helixtrans-60.5-57179.7178.9174.170.2-166.45.3113.2L184 L188 F195 F199 L200 Q201L184-R197 VanDerWaalsContact O-CD 3.29Å; L184-R197 WeakPolarHBondContact O-CD 3.28Å; L188-R197 HydrophobicContact CD2-CB 4.13Å; L188-R197 HydrophobicContact CD2-CG 4.44Å; L188-R197 VanDerWaalsContact O-CD 3.29Å; L188-R197 WeakPolarHBondContact O-CD 3.45Å; L188-R197 PolarHBondContact O-NH1 3.04Å; F195-R197 PolarHBondContact O-N 3.49Å; R197-F199 VanDerWaalsContact C-N 3.28Å; R197-F199 PolarHBondContact O-N 3.44Å; R197-L200 PolarHBondContact O-N 2.87Å; R197-Q201 WeakPolarHBondContact O-CG 3.2Å; R197-Q201 PolarHBondContact O-N 3.35Å; R197-Q201 VanDerWaalsContact O-N 3.12Å
198P97.4Very high95.8Very high41 Ų4174.7 Ų74.727%0.26640%0.4SS..Hα-helixtrans-62.9-34.717823.8-33.1000112.2P194 F195 Q201 Y202P194-P198 VanDerWaalsContact O-CD 3.26Å; P194-P198 WeakPolarHBondContact O-CD 3.37Å; F195-P198 WeakPolarHBondContact O-CD 3.46Å; F195-P198 WeakPolarHBondContact O-CG 3.47Å; P198-Q201 PolarHBondContact O-N 2.93Å; P198-Y202 HydrophobicContact CB-CD2 4.48Å; P198-Y202 HydrophobicContact CB-CE2 4.26Å; P198-Y202 WeakPolarHBondContact O-CD2 3.26Å; P198-Y202 PolarHBondContact O-N 3.24Å
199F98.1Very high96Very high126 Ų12681.7 Ų81.755%0.55343%0.43SS*.Hα-helixtrans-58.4-50.2174.7175.2-99.2000112.2F195 L196 R197 Q201 Y202 V203F195-F199 WeakPolarHBondContact O-CB 3.37Å; F195-F199 PolarHBondContact O-N 3.11Å; L196-F199 PolarHBondContact O-N 3.37Å; R197-F199 VanDerWaalsContact C-N 3.28Å; R197-F199 PolarHBondContact O-N 3.44Å; F199-Q201 VanDerWaalsContact C-N 3.28Å; F199-Q201 PolarHBondContact O-N 2.98Å; F199-Y202 PolarHBondContact O-N 2.79Å; F199-V203 HydrophobicContact CD1-CG2 4.42Å; F199-V203 HydrophobicContact CE1-CG2 3.98Å; F199-V203 HydrophobicContact CE2-CG2 4.25Å; F199-V203 HydrophobicContact CZ-CG2 3.89Å; F199-V203 WeakPolarHBondContact O-CG2 3.2Å; F199-V203 PolarHBondContact O-N 2.92Å
200L98.3Very high96.4Very high62 Ų6282.1 Ų82.133%0.32543%0.428SS..Hα-helixtrans-59.8-40.3177.2-68.7173.4000111.6L184 L188 L196 R197 V203 L204L184-L200 HydrophobicContact CD1-CB 4.03Å; L188-L200 HydrophobicContact CD2-CD1 3.99Å; L196-L200 HydrophobicContact CD1-CD1 4.09Å; L196-L200 HydrophobicContact CD1-CD2 4.41Å; L196-L200 HydrophobicContact CD1-CG 4.01Å; L196-L200 HydrophobicContact CG-CD1 4.02Å; L196-L200 HydrophobicContact CG-CG 4.37Å; L196-L200 VanDerWaalsContact O-CG 3.29Å; L196-L200 WeakPolarHBondContact O-CG 3.48Å; L196-L200 PolarHBondContact O-N 2.86Å; R197-L200 PolarHBondContact O-N 2.87Å; L200-V203 PolarHBondContact O-N 3Å; L200-L204 VanDerWaalsContact O-CG 3.31Å; L200-L204 WeakPolarHBondContact O-CG 3.49Å; L200-L204 PolarHBondContact O-N 3.23Å; L200-L204 VanDerWaalsContact O-N 3.07Å
201Q98.4Very high96.8Very high25 Ų2580.5 Ų80.512%0.11742%0.419CS..Hα-helixtrans-63.2-44176.4-68168.1-38.500111.9V181 L184 R197 P198 F199 V203 L204 L205V181-Q201 HydrophobicContact CB-CG 4.43Å; V181-Q201 HydrophobicContact CG1-CB 4.2Å; V181-Q201 HydrophobicContact CG1-CG 4.01Å; V181-Q201 HydrophobicContact CG2-CB 4.24Å; V181-Q201 HydrophobicContact CG2-CG 4.36Å; V181-Q201 PolarHBondContact O-NE2 3.41Å; L184-Q201 HydrophobicContact CB-CG 4.21Å; L184-Q201 HydrophobicContact CD1-CG 4.22Å; R197-Q201 WeakPolarHBondContact O-CG 3.2Å; R197-Q201 PolarHBondContact O-N 3.35Å; R197-Q201 VanDerWaalsContact O-N 3.12Å; P198-Q201 PolarHBondContact O-N 2.93Å; F199-Q201 VanDerWaalsContact C-N 3.28Å; F199-Q201 PolarHBondContact O-N 2.98Å; Q201-V203 VanDerWaalsContact C-N 3.34Å; Q201-V203 PolarHBondContact O-N 2.98Å; Q201-L204 PolarHBondContact O-N 3.47Å; Q201-L205 WeakPolarHBondContact O-CG 3.28Å; Q201-L205 PolarHBondContact O-N 2.99Å
202Y98.5Very high97.3Very high163 Ų16375.4 Ų75.464%0.63939%0.386SS*.Hα-helixtrans-63.9-37.6176.3-76-58.1000112.8P198 F199 L205 S206P198-Y202 HydrophobicContact CB-CD2 4.48Å; P198-Y202 HydrophobicContact CB-CE2 4.26Å; P198-Y202 WeakPolarHBondContact O-CD2 3.26Å; P198-Y202 PolarHBondContact O-N 3.24Å; F199-Y202 PolarHBondContact O-N 2.79Å; Y202-L205 PolarHBondContact O-N 2.76Å; Y202-S206 WeakPolarHBondContact O-CB 3.28Å; Y202-S206 PolarHBondContact O-N 3.37Å; Y202-S206 PolarHBondContact O-OG 3.02Å
203V98.6Very high97.6Very high65 Ų6572.5 Ų72.539%0.39436%0.362SS..Hα-helixtrans-60.8-47.3173.7171.10000110.5F199 L200 Q201 L205 S206 V207F199-V203 HydrophobicContact CD1-CG2 4.42Å; F199-V203 HydrophobicContact CE1-CG2 3.98Å; F199-V203 HydrophobicContact CE2-CG2 4.25Å; F199-V203 HydrophobicContact CZ-CG2 3.89Å; F199-V203 WeakPolarHBondContact O-CG2 3.2Å; F199-V203 PolarHBondContact O-N 2.92Å; L200-V203 PolarHBondContact O-N 3Å; Q201-V203 VanDerWaalsContact C-N 3.34Å; Q201-V203 PolarHBondContact O-N 2.98Å; V203-L205 PolarHBondContact O-N 3.3Å; V203-S206 WeakPolarHBondContact O-CB 3.3Å; V203-S206 PolarHBondContact O-N 3.25Å; V203-V207 WeakPolarHBondContact O-CG2 3.43Å; V203-V207 PolarHBondContact O-N 3.33Å
204L98.6Very high97.9Very high21 Ų2168.3 Ų68.311%0.1134%0.341CS..Hα-helixtrans-62.3-43.1178.6-65.5169.9000112.2T64 L177 T180 V181 L184 L200 Q201 S206 V207 L208T64-L204 HydrophobicContact CG2-CD2 3.69Å; L177-L204 HydrophobicContact CD2-CB 4.49Å; L177-L204 HydrophobicContact CD2-CD2 3.8Å; T180-L204 HydrophobicContact CG2-CD1 3.59Å; V181-L204 HydrophobicContact CG2-CB 3.94Å; V181-L204 HydrophobicContact CG2-CD1 4.01Å; L184-L204 HydrophobicContact CD1-CD1 3.69Å; L200-L204 VanDerWaalsContact O-CG 3.31Å; L200-L204 WeakPolarHBondContact O-CG 3.49Å; L200-L204 PolarHBondContact O-N 3.23Å; L200-L204 VanDerWaalsContact O-N 3.07Å; Q201-L204 PolarHBondContact O-N 3.47Å; L204-S206 VanDerWaalsContact C-N 3.32Å; L204-S206 PolarHBondContact O-N 2.74Å; L204-V207 PolarHBondContact O-N 2.69Å; L204-L208 PolarHBondContact O-N 2.78Å
205L98.6Very high98.1Very high59 Ų5964.4 Ų64.431%0.30932%0.315SS..Hα-helixtrans-65.5-35.3176.3-68174.6000112.1F178 V181 Q201 Y202 V203 L208 F209F178-L205 HydrophobicContact CD1-CD2 4.08Å; F178-L205 HydrophobicContact CE1-CD2 3.62Å; F178-L205 HydrophobicContact CZ-CD2 4.23Å; V181-L205 HydrophobicContact CG2-CD2 4.29Å; V181-L205 HydrophobicContact CG2-CG 4.22Å; Q201-L205 WeakPolarHBondContact O-CG 3.28Å; Q201-L205 PolarHBondContact O-N 2.99Å; Y202-L205 PolarHBondContact O-N 2.76Å; V203-L205 PolarHBondContact O-N 3.3Å; L205-L208 PolarHBondContact O-N 2.69Å; L205-F209 WeakPolarHBondContact O-CB 3.43Å; L205-F209 PolarHBondContact O-N 2.99Å
206S98.6Very high98.2Very high75 Ų7559 Ų5952%0.52430%0.296SS..Hα-helixtrans-67.4-40.7175.3-57.80000111.6Y202 V203 L204 F209 Y210Y202-S206 WeakPolarHBondContact O-CB 3.28Å; Y202-S206 PolarHBondContact O-N 3.37Å; Y202-S206 PolarHBondContact O-OG 3.02Å; V203-S206 WeakPolarHBondContact O-CB 3.3Å; V203-S206 PolarHBondContact O-N 3.25Å; L204-S206 VanDerWaalsContact C-N 3.32Å; L204-S206 PolarHBondContact O-N 2.74Å; S206-F209 PolarHBondContact O-N 3Å; S206-Y210 WeakPolarHBondContact O-CB 3.09Å; S206-Y210 PolarHBondContact O-N 3.15Å
207V98.6Very high98.3Very high56 Ų5659.8 Ų59.834%0.33930%0.303SS..Hα-helixtrans-61.9-44173.1171.70000110.8L177 V203 L204 F209 Y210 I211L177-V207 HydrophobicContact CD1-CB 4.4Å; L177-V207 HydrophobicContact CD1-CG1 4.05Å; V203-V207 WeakPolarHBondContact O-CG2 3.43Å; V203-V207 PolarHBondContact O-N 3.33Å; L204-V207 PolarHBondContact O-N 2.69Å; V207-F209 PolarHBondContact O-N 2.6Å; V207-Y210 PolarHBondContact O-N 3.12Å; V207-I211 HydrophobicContact CG1-CD1 3.91Å; V207-I211 WeakPolarHBondContact O-CG1 3.28Å; V207-I211 PolarHBondContact O-N 2.78Å
208L98.7Very high98.4Very high12 Ų1256.9 Ų56.96%0.06329%0.293CS..Hα-helixtrans-58.5-49.3175.2176.157.7000111.2A173 L177 F178 L204 L205 Y210 I211 C212A173-L208 HydrophobicContact CB-CD1 3.94Å; L177-L208 HydrophobicContact CB-CB 4.47Å; L177-L208 HydrophobicContact CD1-CB 3.68Å; L177-L208 HydrophobicContact CD1-CD1 4.42Å; F178-L208 HydrophobicContact CD2-CD2 3.88Å; F178-L208 HydrophobicContact CE2-CD2 3.37Å; F178-L208 HydrophobicContact CZ-CD2 3.81Å; L204-L208 PolarHBondContact O-N 2.78Å; L205-L208 PolarHBondContact O-N 2.69Å; L208-Y210 VanDerWaalsContact C-N 3.3Å; L208-Y210 PolarHBondContact O-N 2.88Å; L208-I211 PolarHBondContact O-N 3.45Å; L208-C212 PolarHBondContact O-N 2.74Å; L208-C212 PolarHBondContact O-SG 3.48Å
209F98.6Very high98.4Very high155 Ų15556.1 Ų56.168%0.6829%0.286SS*.Hα-helixtrans-57.8-44.8178.9-178-95.5000111.5L205 S206 V207 C212 A213L205-F209 WeakPolarHBondContact O-CB 3.43Å; L205-F209 PolarHBondContact O-N 2.99Å; S206-F209 PolarHBondContact O-N 3Å; V207-F209 PolarHBondContact O-N 2.6Å; F209-C212 PolarHBondContact O-N 2.86Å; F209-A213 WeakPolarHBondContact O-CB 3.44Å; F209-A213 PolarHBondContact O-N 3.3Å
210Y98.6Very high98.4Very high127 Ų12750.5 Ų50.550%0.49826%0.261SS..Hα-helixtrans-61.5-45.4177-176.7-109.8000112.5I52 S206 V207 L208 C212 A213 T214I52-Y210 HydrophobicContact CD1-CE1 4.11Å; S206-Y210 WeakPolarHBondContact O-CB 3.09Å; S206-Y210 PolarHBondContact O-N 3.15Å; V207-Y210 PolarHBondContact O-N 3.12Å; L208-Y210 VanDerWaalsContact C-N 3.3Å; L208-Y210 PolarHBondContact O-N 2.88Å; Y210-C212 VanDerWaalsContact C-N 3.32Å; Y210-C212 PolarHBondContact O-N 2.88Å; Y210-A213 PolarHBondContact O-N 3.48Å; Y210-T214 HydrophobicContact CD1-CG2 4.44Å; Y210-T214 HydrophobicContact CD2-CG2 4.47Å; Y210-T214 HydrophobicContact CE1-CG2 4.09Å; Y210-T214 HydrophobicContact CE2-CG2 4.11Å; Y210-T214 WeakPolarHBondContact O-CG2 3.23Å; Y210-T214 PolarHBondContact O-N 3.13Å; Y210-T214 PolarHBondContact O-OG1 3Å
211I98.6Very high98.4Very high7 Ų747.8 Ų47.84%0.03625%0.247CC..Hα-helixtrans-59.5-43.4175.7-68.1166.8000110.8V57 H169 A173 V207 L208 T214 R215V57-I211 HydrophobicContact CG2-CD1 4.5Å; V57-I211 HydrophobicContact CG2-CG2 4.23Å; H169-I211 HydrophobicContact CB-CG2 4.12Å; A173-I211 HydrophobicContact CB-CD1 3.85Å; A173-I211 HydrophobicContact CB-CG2 4.02Å; V207-I211 HydrophobicContact CG1-CD1 3.91Å; V207-I211 WeakPolarHBondContact O-CG1 3.28Å; V207-I211 PolarHBondContact O-N 2.78Å; L208-I211 PolarHBondContact O-N 3.45Å; I211-T214 PolarHBondContact O-OG1 3.05Å; I211-R215 PolarHBondContact O-N 3.27Å; I211-R215 PolarHBondContact O-NH1 3.08Å
212C98.7Very high98.3Very high18 Ų1847.4 Ų47.412%0.12225%0.245CC..Hα-helixtrans-64.2-45.3177-740000112.2L208 F209 Y210 T214 R215 V226L208-C212 PolarHBondContact O-N 2.74Å; L208-C212 PolarHBondContact O-SG 3.48Å; F209-C212 PolarHBondContact O-N 2.86Å; Y210-C212 VanDerWaalsContact C-N 3.32Å; Y210-C212 PolarHBondContact O-N 2.88Å; C212-T214 PolarHBondContact O-N 3.5Å; C212-R215 PolarHBondContact O-N 3.17Å; C212-V226 HydrophobicContact CB-CG1 3.55Å
213A98.6Very high98.3Very high35 Ų3543.7 Ų43.729%0.28924%0.241SC..Hα-helixtrans-60.5-44.8179.200000111.6F209 Y210 R215 V216 T217F209-A213 WeakPolarHBondContact O-CB 3.44Å; F209-A213 PolarHBondContact O-N 3.3Å; Y210-A213 PolarHBondContact O-N 3.48Å; A213-R215 PolarHBondContact O-N 3.33Å; A213-V216 PolarHBondContact O-N 3.22Å; A213-T217 PolarHBondContact O-N 3.4Å; A213-T217 PolarHBondContact O-OG1 3.28Å
214T98.5Very high98.3Very high4 Ų444.3 Ų44.33%0.02525%0.245CC..Hα-helixtrans-58.6-32.617956.40000112.7T51 I52 Y210 I211 C212 V216 T217 D218T51-T214 HydrophobicContact CG2-CG2 3.71Å; I52-T214 HydrophobicContact CG1-CG2 4.35Å; Y210-T214 HydrophobicContact CD1-CG2 4.44Å; Y210-T214 HydrophobicContact CD2-CG2 4.47Å; Y210-T214 HydrophobicContact CE1-CG2 4.09Å; Y210-T214 HydrophobicContact CE2-CG2 4.11Å; Y210-T214 WeakPolarHBondContact O-CG2 3.23Å; Y210-T214 PolarHBondContact O-N 3.13Å; Y210-T214 PolarHBondContact O-OG1 3Å; I211-T214 PolarHBondContact O-OG1 3.05Å; C212-T214 PolarHBondContact O-N 3.5Å; T214-V216 VanDerWaalsContact C-N 3.28Å; T214-V216 PolarHBondContact O-N 3.44Å; T214-T217 WeakPolarHBondContact CA-OG1 3.08Å; T214-T217 PolarHBondContact O-N 2.92Å; T214-T217 PolarHBondContact O-OG1 3.13Å; T214-D218 WeakPolarHBondContact O-CB 3.46Å; T214-D218 PolarHBondContact O-N 3.39Å
215R98.3Very high98.3Very high0 Ų043.3 Ų43.30%024%0.24CC..Hα-helixtrans-66.6-28.4177.2-68.5-56.186.362.74.6114.2I52 H169 I211 C212 A213 D218 Y220 H221 V226I52-R215 PolarHBondContact O-NH2 3.33Å; H169-R215 HydrophobicContact CB-CG 3.83Å; H169-R215 PolarHBondContact CD2-NH1 2.82Å; I211-R215 PolarHBondContact O-N 3.27Å; I211-R215 PolarHBondContact O-NH1 3.08Å; C212-R215 PolarHBondContact O-N 3.17Å; A213-R215 PolarHBondContact O-N 3.33Å; R215-D218 IonicContact NH2-OD2 3.83Å; R215-D218 PolarHBondContact NH2-OD2 2.74Å; R215-D218 VanDerWaalsContact NH2-OD2 3.12Å; R215-Y220 PolarHBondContact O-N 3.35Å; R215-Y220 VanDerWaalsContact O-N 3.14Å; R215-H221 HydrophobicContact CB-CB 4.27Å; R215-H221 PolarHBondContact O-N 3.47Å; R215-H221 VanDerWaalsContact O-N 3.09Å; R215-V226 HydrophobicContact CB-CG2 3.81Å
216V98.1Very high98.3Very high56 Ų5641 Ų4134%0.33923%0.228SC..Hα-helixtrans-83.2-47.6175.3-175.80000110A213 T214 D218 H219 P223 V226A213-V216 PolarHBondContact O-N 3.22Å; T214-V216 VanDerWaalsContact C-N 3.28Å; T214-V216 PolarHBondContact O-N 3.44Å; V216-D218 VanDerWaalsContact C-N 3.33Å; V216-D218 PolarHBondContact O-N 3.08Å; V216-H219 PolarHBondContact O-N 3.05Å; V216-P223 HydrophobicContact CG1-CG 4.11Å; V216-P223 HydrophobicContact CG2-CG 4.41Å; V216-V226 HydrophobicContact CG2-CG2 3.91Å
217T97.7Very high98.3Very high79 Ų7943.5 Ų43.549%0.48524%0.235SC..Hα-helixtrans-68.5-30.1-177.158.50000113.6K48 A213 T214 H219K48-T217 PolarHBondContact NZ-O 3.01Å; A213-T217 PolarHBondContact O-N 3.4Å; A213-T217 PolarHBondContact O-OG1 3.28Å; T214-T217 WeakPolarHBondContact CA-OG1 3.08Å; T214-T217 PolarHBondContact O-N 2.92Å; T214-T217 PolarHBondContact O-OG1 3.13Å; T217-H219 PolarHBondContact O-CD2 2.86Å; T217-H219 PolarHBondContact O-NE2 3.21Å
218D97.7Very high98.3Very high9 Ų941.9 Ų41.95%0.04823%0.227CC..THydrogen-bonded Turntrans-83.1-0.8175-56.9-12000111.8T51 T214 R215 V216 Y220T51-D218 VanDerWaalsContact CB-OD2 3.29Å; T51-D218 WeakPolarHBondContact CB-OD2 3.42Å; T51-D218 PolarHBondContact N-OD2 3.33Å; T51-D218 PolarHBondContact OG1-OD1 3.33Å; T51-D218 PolarHBondContact OG1-OD2 2.98Å; T214-D218 WeakPolarHBondContact O-CB 3.46Å; T214-D218 PolarHBondContact O-N 3.39Å; R215-D218 IonicContact NH2-OD2 3.83Å; R215-D218 PolarHBondContact NH2-OD2 2.74Å; R215-D218 VanDerWaalsContact NH2-OD2 3.12Å; V216-D218 VanDerWaalsContact C-N 3.33Å; V216-D218 PolarHBondContact O-N 3.08Å; D218-Y220 VanDerWaalsContact C-N 3.27Å; D218-Y220 HydrophobicContact CB-CD2 3.59Å; D218-Y220 HydrophobicContact CB-CE2 4.03Å; D218-Y220 VanDerWaalsContact O-CD2 3.22Å; D218-Y220 WeakPolarHBondContact O-CD2 3.22Å; D218-Y220 PolarHBondContact O-N 3.41Å
219H97.6Very high98.3Very high24 Ų2441.3 Ų41.311%0.11122%0.224CC..THydrogen-bonded Turntrans63.826177.5-47.1170000114.3Y45 P46 K48 P127 H128 V216 T217Y45-H219 WeakPolarHBondContact CB-ND1 3.4Å; Y45-H219 AromaticContact CD1-CE1 3.67Å; Y45-H219 AromaticContact CD1-NE2 3.99Å; P46-H219 PolarHBondContact O-ND1 3.2Å; K48-H219 VanDerWaalsContact CE-CE1 3.43Å; K48-H219 WeakPolarHBondContact CE-CE1 3.29Å; K48-H219 PolarHBondContact NZ-CE1 3.33Å; K48-H219 VanDerWaalsContact NZ-CE1 3.28Å; K48-H219 PolarHBondContact NZ-NE2 2.85Å; P127-H219 HydrophobicContact CB-CB 4.13Å; P127-H219 WeakPolarHBondContact CB-O 3.43Å; P127-H219 VanDerWaalsContact CD-O 3.31Å; P127-H219 WeakPolarHBondContact CD-O 3.35Å; P127-H219 WeakPolarHBondContact CG-O 3.19Å; H128-H219 PolarHBondContact ND1-O 3.01Å; V216-H219 PolarHBondContact O-N 3.05Å; T217-H219 PolarHBondContact O-CD2 2.86Å; T217-H219 PolarHBondContact O-NE2 3.21Å
220Y97.8Very high98.3Very high8 Ų834.9 Ų34.93%0.03120%0.2CC..SBendtrans-82.8-29.7177.5-84.6-100.2000112.5Y47 K48 N50 R126 R215 D218Y47-Y220 WeakPolarHBondContact CE2-OH 3.29Å; Y47-Y220 PolarHBondContact OH-OH 3.35Å; K48-Y220 WeakPolarHBondContact O-CE2 3.22Å; K48-Y220 PolarHBondContact O-OH 3.29Å; N50-Y220 HydrophobicContact CB-CE2 4.49Å; N50-Y220 WeakPolarHBondContact ND2-CE1 3.29Å; N50-Y220 PolarHBondContact ND2-OH 3.05Å; N50-Y220 WeakPolarHBondContact OD1-CD2 3.26Å; N50-Y220 WeakPolarHBondContact OD1-CE1 3.31Å; N50-Y220 WeakPolarHBondContact OD1-CE2 3.33Å; N50-Y220 VanDerWaalsContact OD1-CZ 3.22Å; R126-Y220 WeakPolarHBondContact CD-O 3.47Å; R126-Y220 WeakPolarHBondContact CG-O 3.35Å; R126-Y220 VanDerWaalsContact NH1-CE1 3.29Å; R215-Y220 PolarHBondContact O-N 3.35Å; R215-Y220 VanDerWaalsContact O-N 3.14Å; D218-Y220 VanDerWaalsContact C-N 3.27Å; D218-Y220 HydrophobicContact CB-CD2 3.59Å; D218-Y220 HydrophobicContact CB-CE2 4.03Å; D218-Y220 VanDerWaalsContact O-CD2 3.22Å; D218-Y220 WeakPolarHBondContact O-CD2 3.22Å; D218-Y220 PolarHBondContact O-N 3.41Å
221H98.2Very high98.3Very high5 Ų534.4 Ų34.42%0.02320%0.203CC..SBendtrans-143.4146.7-172.6-71.5-49.4000112.2K119 S164 S167 R215 D225 V226K119-H221 PolarHBondContact NZ-CE1 2.55Å; S164-H221 PolarHBondContact O-CE1 3.15Å; S164-H221 PolarHBondContact O-ND1 2.82Å; S167-H221 WeakPolarHBondContact CB-CD2 3.17Å; S167-H221 PolarHBondContact OG-CD2 3.11Å; S167-H221 PolarHBondContact OG-NE2 3.2Å; R215-H221 HydrophobicContact CB-CB 4.27Å; R215-H221 PolarHBondContact O-N 3.47Å; R215-H221 VanDerWaalsContact O-N 3.09Å; H221-D225 HydrophobicContact CB-CB 4.05Å; H221-D225 IonicContact ND1-OD2 3.39Å; H221-V226 HydrophobicContact CB-CG2 3.77Å
222H98.3Very high98.3Very high18 Ų1835.3 Ų35.38%0.08321%0.208CC..  trans-69.7151.8166.5-59.1-83.8000109.4S42 R124 L125 T224 D225 V226S42-H222 PolarHBondContact O-CE1 3.23Å; S42-H222 PolarHBondContact OG-CE1 3.42Å; R124-H222 PolarHBondContact NH2-CD2 3.46Å; R124-H222 VanDerWaalsContact NH2-CD2 3.33Å; L125-H222 PolarHBondContact O-NE2 3.37Å; L125-H222 VanDerWaalsContact O-NE2 3.08Å; H222-T224 PolarHBondContact O-N 3.48Å; H222-T224 VanDerWaalsContact O-N 3.11Å; H222-D225 IonicContact CD2-OD2 3.34Å; H222-D225 PolarHBondContact CD2-OD2 3.48Å; H222-D225 IonicContact CG-OD2 3.33Å; H222-D225 PolarHBondContact N-OD2 3.06Å; H222-D225 WeakPolarHBondContact O-CB 3.42Å; H222-D225 PolarHBondContact O-N 2.83Å; H222-V226 PolarHBondContact O-N 2.92Å
223P98.2Very high98.3Very high85 Ų8534.4 Ų34.455%0.55220%0.202SC*.Hα-helixtrans-53-34.6175.5-28.335.5000113.4V216 D225 V226 L227V216-P223 HydrophobicContact CG1-CG 4.11Å; V216-P223 HydrophobicContact CG2-CG 4.41Å; P223-D225 PolarHBondContact O-N 3.15Å; P223-V226 PolarHBondContact O-N 3.43Å; P223-L227 WeakPolarHBondContact O-CB 3.24Å; P223-L227 PolarHBondContact O-N 3.25Å
224T98.2Very high98.3Very high77 Ų7736.8 Ų36.847%0.47221%0.206SC..Hα-helixtrans-66.8-33.7176.454.90000113.2R124 H222 V226 A228R124-T224 PolarHBondContact NH1-OG1 3.48Å; H222-T224 PolarHBondContact O-N 3.48Å; H222-T224 VanDerWaalsContact O-N 3.11Å; T224-V226 VanDerWaalsContact C-N 3.34Å; T224-A228 VanDerWaalsContact O-CB 3.28Å; T224-A228 WeakPolarHBondContact O-CB 3.49Å; T224-A228 PolarHBondContact O-N 3.44Å
225D98.4Very high98.3Very high0 Ų041.2 Ų41.20%023%0.229CC..Hα-helixtrans-69.2-37.2176.4-49.9-22.2000111R124 S164 F165 S167 H221 H222 P223 G229R124-D225 IonicContact CZ-OD1 3.4Å; R124-D225 IonicContact NE-OD1 3.82Å; R124-D225 IonicContact NH1-OD1 2.74Å; R124-D225 PolarHBondContact NH1-OD1 3.03Å; S164-D225 WeakPolarHBondContact CB-OD2 3.29Å; S164-D225 PolarHBondContact OG-OD2 3.15Å; F165-D225 HydrophobicContact CD2-CB 4.25Å; F165-D225 VanDerWaalsContact CD2-OD1 3.26Å; F165-D225 WeakPolarHBondContact CD2-OD1 3.45Å; S167-D225 PolarHBondContact N-O 2.98Å; H221-D225 HydrophobicContact CB-CB 4.05Å; H221-D225 IonicContact ND1-OD2 3.39Å; H222-D225 IonicContact CD2-OD2 3.34Å; H222-D225 PolarHBondContact CD2-OD2 3.48Å; H222-D225 IonicContact CG-OD2 3.33Å; H222-D225 PolarHBondContact N-OD2 3.06Å; H222-D225 WeakPolarHBondContact O-CB 3.42Å; H222-D225 PolarHBondContact O-N 2.83Å; P223-D225 PolarHBondContact O-N 3.15Å; D225-G229 PolarHBondContact O-N 3.21Å
226V98.7Very high98.3Very high12 Ų1241.9 Ų41.97%0.07323%0.233CC..Hα-helixtrans-69.3-47177.41770000110.3A170 C212 R215 V216 H221 H222 P223 T224 G229 A230A170-V226 HydrophobicContact CB-CG1 3.97Å; C212-V226 HydrophobicContact CB-CG1 3.55Å; R215-V226 HydrophobicContact CB-CG2 3.81Å; V216-V226 HydrophobicContact CG2-CG2 3.91Å; H221-V226 HydrophobicContact CB-CG2 3.77Å; H222-V226 PolarHBondContact O-N 2.92Å; P223-V226 PolarHBondContact O-N 3.43Å; T224-V226 VanDerWaalsContact C-N 3.34Å; V226-G229 PolarHBondContact O-N 2.91Å; V226-A230 WeakPolarHBondContact O-CB 3.06Å; V226-A230 PolarHBondContact O-N 3.49Å
227L98.5Very high98.2Very high127 Ų12739.2 Ų39.267%0.66522%0.217SC*.Hα-helixtrans-61.5-46.4177.6-176.864.1000111.7P223 G229 A230 M231P223-L227 WeakPolarHBondContact O-CB 3.24Å; P223-L227 PolarHBondContact O-N 3.25Å; L227-G229 PolarHBondContact O-N 3.47Å; L227-A230 PolarHBondContact O-N 3.12Å; L227-M231 WeakPolarHBondContact O-CB 3.21Å; L227-M231 PolarHBondContact O-N 2.72Å
228A98.5Very high98.2Very high21 Ų2137.5 Ų37.517%0.17421%0.207CC..Hα-helixtrans-62.5-42.9177.500000111.9F165 M166 T224 M231 L232F165-A228 HydrophobicContact CD2-CB 4.5Å; F165-A228 HydrophobicContact CE2-CB 3.46Å; F165-A228 VanDerWaalsContact CE2-CB 3.46Å; F165-A228 HydrophobicContact CZ-CB 3.52Å; M166-A228 HydrophobicContact CB-CB 4.31Å; T224-A228 VanDerWaalsContact O-CB 3.28Å; T224-A228 WeakPolarHBondContact O-CB 3.49Å; T224-A228 PolarHBondContact O-N 3.44Å; A228-M231 PolarHBondContact O-N 3.33Å; A228-L232 WeakPolarHBondContact O-CB 3.35Å; A228-L232 PolarHBondContact O-N 3.09Å
229G98.6Very high98.1Very high0 Ų042.9 Ų42.90%023%0.23CC..Hα-helixtrans-61.3-50.1175.200000111.8S171 D225 V226 L227 M231 L232 G233S171-G229 WeakPolarHBondContact CA-O 3.3Å; S171-G229 VanDerWaalsContact CB-O 3.24Å; S171-G229 WeakPolarHBondContact CB-O 3.42Å; D225-G229 PolarHBondContact O-N 3.21Å; V226-G229 PolarHBondContact O-N 2.91Å; L227-G229 PolarHBondContact O-N 3.47Å; G229-M231 VanDerWaalsContact C-N 3.33Å; G229-M231 PolarHBondContact O-N 3.31Å; G229-L232 PolarHBondContact O-N 2.99Å; G229-G233 PolarHBondContact O-N 3.47Å
230A98.7Very high97.9Very high21 Ų2142 Ų4217%0.17423%0.226CC..Hα-helixtrans-59.9-42.9178.300000111.9S174 V226 L227 G233 F234S174-A230 WeakPolarHBondContact CB-O 3.44Å; S174-A230 PolarHBondContact OG-O 3.07Å; V226-A230 WeakPolarHBondContact O-CB 3.06Å; V226-A230 PolarHBondContact O-N 3.49Å; L227-A230 PolarHBondContact O-N 3.12Å; A230-G233 PolarHBondContact O-N 3.46Å; A230-F234 WeakPolarHBondContact O-CB 3.28Å; A230-F234 PolarHBondContact O-N 3.28Å
231M98.7Very high97.7Very high116 Ų11642.4 Ų42.457%0.57123%0.228SC*.Hα-helixtrans-62.8-44.1176.2-172.8177.673.200111.9L227 A228 G229 G233 F234 L235L227-M231 WeakPolarHBondContact O-CB 3.21Å; L227-M231 PolarHBondContact O-N 2.72Å; A228-M231 PolarHBondContact O-N 3.33Å; G229-M231 VanDerWaalsContact C-N 3.33Å; G229-M231 PolarHBondContact O-N 3.31Å; M231-G233 PolarHBondContact O-N 3.03Å; M231-F234 PolarHBondContact O-N 3.35Å; M231-L235 HydrophobicContact CG-CD1 4.2Å; M231-L235 VanDerWaalsContact O-CG 3.31Å; M231-L235 WeakPolarHBondContact O-CG 3.12Å; M231-L235 PolarHBondContact O-N 2.92Å
232L98.6Very high97.3Very high26 Ų2648.1 Ų48.114%0.13625%0.253CS..Hα-helixtrans-57.6-50.3175.9176.165.7000111.2T111 L114 M166 A228 G229 F234 L235 T236T111-L232 HydrophobicContact CG2-CD2 4.29Å; T111-L232 HydrophobicContact CG2-CG 4.37Å; L114-L232 HydrophobicContact CB-CD1 4.32Å; L114-L232 HydrophobicContact CB-CD2 3.83Å; L114-L232 HydrophobicContact CD1-CD1 3.78Å; M166-L232 HydrophobicContact CE-CD2 4.11Å; M166-L232 HydrophobicContact SD-CB 3.92Å; M166-L232 HydrophobicContact SD-CD2 3.29Å; M166-L232 WeakPolarHBondContact SD-CD2 3.07Å; M166-L232 HydrophobicContact SD-CG 4.2Å; A228-L232 WeakPolarHBondContact O-CB 3.35Å; A228-L232 PolarHBondContact O-N 3.09Å; G229-L232 PolarHBondContact O-N 2.99Å; L232-F234 VanDerWaalsContact C-N 3.31Å; L232-F234 PolarHBondContact O-N 3.44Å; L232-L235 PolarHBondContact O-N 3.14Å; L232-T236 HydrophobicContact CD1-CG2 4.18Å; L232-T236 WeakPolarHBondContact O-CG2 3.34Å; L232-T236 PolarHBondContact O-N 3.14Å; L232-T236 PolarHBondContact O-OG1 2.73Å
233G98.6Very high96.5Very high0 Ų054.6 Ų54.60%028%0.277CS..Hα-helixtrans-62.2-38179.800000112.7A175 G229 A230 M231 T236 S237A175-G233 VanDerWaalsContact CA-O 3.29Å; A175-G233 WeakPolarHBondContact CA-O 3.47Å; G229-G233 PolarHBondContact O-N 3.47Å; A230-G233 PolarHBondContact O-N 3.46Å; M231-G233 PolarHBondContact O-N 3.03Å; G233-T236 WeakPolarHBondContact CA-OG1 3.24Å; G233-T236 PolarHBondContact O-OG1 3.48Å; G233-S237 WeakPolarHBondContact O-CB 3.19Å; G233-S237 PolarHBondContact O-N 2.61Å; G233-S237 PolarHBondContact O-OG 3.4Å
234F98.6Very high95.6Very high85 Ų8552.4 Ų52.437%0.37326%0.258SS..Hα-helixtrans-61.2-49.2174.3175.2-109.5000111S174 F178 A230 M231 L232 T236 S237 V238S174-F234 PolarHBondContact OG-N 3.32Å; S174-F234 VanDerWaalsContact OG-N 3.17Å; F178-F234 HydrophobicContact CB-CD2 4.1Å; F178-F234 AromaticContact CD1-CD2 3.72Å; F178-F234 HydrophobicContact CD1-CD2 3.72Å; F178-F234 HydrophobicContact CD1-CE2 4.1Å; F178-F234 HydrophobicContact CD2-CB 3.88Å; F178-F234 AromaticContact CD2-CD2 3.76Å; F178-F234 HydrophobicContact CD2-CD2 3.76Å; F178-F234 HydrophobicContact CD2-CG 4.3Å; F178-F234 AromaticContact CE1-CD2 3.97Å; F178-F234 HydrophobicContact CE1-CD2 3.97Å; F178-F234 HydrophobicContact CE1-CE2 4.31Å; F178-F234 HydrophobicContact CE2-CB 3.99Å; F178-F234 HydrophobicContact CE2-CD2 4Å; F178-F234 HydrophobicContact CE2-CG 4.38Å; F178-F234 AromaticContact CG-CD2 3.61Å; F178-F234 HydrophobicContact CG-CD2 3.61Å; F178-F234 HydrophobicContact CG-CE2 4.38Å; F178-F234 HydrophobicContact CZ-CD2 4.11Å; A230-F234 WeakPolarHBondContact O-CB 3.28Å; A230-F234 PolarHBondContact O-N 3.28Å; M231-F234 PolarHBondContact O-N 3.35Å; L232-F234 VanDerWaalsContact C-N 3.31Å; L232-F234 PolarHBondContact O-N 3.44Å; F234-T236 PolarHBondContact O-N 2.93Å; F234-S237 PolarHBondContact O-N 3.45Å; F234-S237 PolarHBondContact O-OG 2.96Å; F234-V238 HydrophobicContact CD2-CG2 4.2Å; F234-V238 HydrophobicContact CE1-CG2 4.11Å; F234-V238 HydrophobicContact CE2-CG2 3.77Å; F234-V238 HydrophobicContact CZ-CG2 3.73Å; F234-V238 WeakPolarHBondContact O-CG2 3.1Å; F234-V238 PolarHBondContact O-N 3.47Å
235L98.2Very high94.7Very high97 Ų9748.8 Ų48.851%0.50824%0.236SC..Hα-helixtrans-62.1-44.3-178.4-69.4172.6000112.7M231 L232 S237 V238 F239M231-L235 HydrophobicContact CG-CD1 4.2Å; M231-L235 VanDerWaalsContact O-CG 3.31Å; M231-L235 WeakPolarHBondContact O-CG 3.12Å; M231-L235 PolarHBondContact O-N 2.92Å; L232-L235 PolarHBondContact O-N 3.14Å; L235-S237 VanDerWaalsContact C-N 3.31Å; L235-S237 PolarHBondContact O-N 2.87Å; L235-V238 PolarHBondContact O-N 2.04Å; L235-F239 WeakPolarHBondContact O-CB 3.33Å; L235-F239 PolarHBondContact O-N 3.12Å
236T97.6Very high93.8Very high13 Ų1350.5 Ų50.58%0.0825%0.254CS..Hα-helixtrans-67-33.4177.354.40000111.9S107 T110 T111 L232 G233 F234 S240S107-T236 PolarHBondContact OG-O 3.37Å; T110-T236 HydrophobicContact CG2-CG2 3.99Å; T111-T236 WeakPolarHBondContact OG1-CB 3.11Å; T111-T236 PolarHBondContact OG1-OG1 3.26Å; L232-T236 HydrophobicContact CD1-CG2 4.18Å; L232-T236 WeakPolarHBondContact O-CG2 3.34Å; L232-T236 PolarHBondContact O-N 3.14Å; L232-T236 PolarHBondContact O-OG1 2.73Å; G233-T236 WeakPolarHBondContact CA-OG1 3.24Å; G233-T236 PolarHBondContact O-OG1 3.48Å; F234-T236 PolarHBondContact O-N 2.93Å; T236-S240 VanDerWaalsContact O-CB 3.24Å; T236-S240 WeakPolarHBondContact O-CB 3.28Å; T236-S240 PolarHBondContact O-N 3.39Å
237S97.6Very high92.6Very high0 Ų053.4 Ų53.40%027%0.269CS..Hα-helixtrans-65.4-46.9174.277.90000111.8S107 A175 F178 G233 F234 L235 F241S107-S237 VanDerWaalsContact OG-CA 3.23Å; S107-S237 WeakPolarHBondContact OG-CA 3.3Å; S107-S237 PolarHBondContact OG-N 3.35Å; A175-S237 WeakPolarHBondContact O-CB 3.37Å; F178-S237 WeakPolarHBondContact CB-OG 3.33Å; G233-S237 WeakPolarHBondContact O-CB 3.19Å; G233-S237 PolarHBondContact O-N 2.61Å; G233-S237 PolarHBondContact O-OG 3.4Å; F234-S237 PolarHBondContact O-N 3.45Å; F234-S237 PolarHBondContact O-OG 2.96Å; L235-S237 VanDerWaalsContact C-N 3.31Å; L235-S237 PolarHBondContact O-N 2.87Å; S237-F241 VanDerWaalsContact O-CB 3.23Å; S237-F241 WeakPolarHBondContact O-CB 3.21Å; S237-F241 PolarHBondContact O-N 3.4Å
238V96.7Very high91.5Very high44 Ų4448.1 Ų48.127%0.26724%0.241SC..Hα-helixtrans-62.3-48.4177.2170.30000110.4I182 F234 L235 F241 F242I182-V238 HydrophobicContact CD1-CG2 3.98Å; F234-V238 HydrophobicContact CD2-CG2 4.2Å; F234-V238 HydrophobicContact CE1-CG2 4.11Å; F234-V238 HydrophobicContact CE2-CG2 3.77Å; F234-V238 HydrophobicContact CZ-CG2 3.73Å; F234-V238 WeakPolarHBondContact O-CG2 3.1Å; F234-V238 PolarHBondContact O-N 3.47Å; L235-V238 PolarHBondContact O-N 2.04Å; V238-F241 PolarHBondContact O-N 3.11Å; V238-F242 HydrophobicContact CG1-CD2 3.75Å; V238-F242 HydrophobicContact CG1-CE2 4.13Å; V238-F242 VanDerWaalsContact O-CD2 3.29Å; V238-F242 WeakPolarHBondContact O-CD2 3.35Å; V238-F242 PolarHBondContact O-N 3.44Å
239F95.5Very high90.5Very high122 Ų12249.8 Ų49.854%0.53525%0.245SC..Hα-helixtrans-62.3-48-179-171.8-94.1000111.8L235 F241 W243L235-F239 WeakPolarHBondContact O-CB 3.33Å; L235-F239 PolarHBondContact O-N 3.12Å; F239-F241 VanDerWaalsContact C-N 3.34Å; F239-F241 PolarHBondContact O-N 2.8Å; F239-W243 HydrophobicContact CD1-CB 4.48Å; F239-W243 HydrophobicContact CD1-CE3 4.33Å; F239-W243 HydrophobicContact CD2-CB 4.29Å; F239-W243 HydrophobicContact CE1-CB 4.32Å; F239-W243 AromaticContact CE1-CD2 3.9Å; F239-W243 HydrophobicContact CE1-CD2 3.9Å; F239-W243 AromaticContact CE1-CE3 3.34Å; F239-W243 HydrophobicContact CE1-CE3 3.34Å; F239-W243 HydrophobicContact CE1-CG 4.34Å; F239-W243 AromaticContact CE1-CZ3 3.9Å; F239-W243 HydrophobicContact CE1-CZ3 3.9Å; F239-W243 HydrophobicContact CE2-CB 4.12Å; F239-W243 HydrophobicContact CE2-CD2 4.19Å; F239-W243 HydrophobicContact CE2-CE3 4.45Å; F239-W243 HydrophobicContact CE2-CG 4.06Å; F239-W243 HydrophobicContact CG-CB 4.47Å; F239-W243 HydrophobicContact CZ-CB 4.14Å; F239-W243 AromaticContact CZ-CD2 3.51Å; F239-W243 HydrophobicContact CZ-CD2 3.51Å; F239-W243 AromaticContact CZ-CE3 3.41Å; F239-W243 HydrophobicContact CZ-CE3 3.41Å; F239-W243 VanDerWaalsContact CZ-CE3 3.41Å; F239-W243 AromaticContact CZ-CG 3.85Å; F239-W243 HydrophobicContact CZ-CG 3.85Å; F239-W243 AromaticContact CZ-CZ3 3.98Å; F239-W243 HydrophobicContact CZ-CZ3 3.98Å; F239-W243 WeakPolarHBondContact O-CA 3.49Å; F239-W243 WeakPolarHBondContact O-CB 3.29Å; F239-W243 PolarHBondContact O-N 2.93Å
240S93.9Very high89.3Confident4 Ų453 Ų533%0.02827%0.267CS..Iπ-helixtrans-63.8-40.5177.9-172.90000111.8A103 T236 Y244A103-S240 WeakPolarHBondContact CA-OG 3.35Å; A103-S240 PolarHBondContact O-OG 2.86Å; T236-S240 VanDerWaalsContact O-CB 3.24Å; T236-S240 WeakPolarHBondContact O-CB 3.28Å; T236-S240 PolarHBondContact O-N 3.39Å; S240-Y244 VanDerWaalsContact O-CB 3.29Å; S240-Y244 WeakPolarHBondContact O-CB 3.37Å; S240-Y244 PolarHBondContact O-N 3.1Å
241F93.5Very high87.8Confident17 Ų1759.7 Ų59.78%0.07530%0.295CS..Iπ-helixtrans-67.9-49.1-179.6-162.8-82.4000112.4F100 F179 I182 Y183 A186 S237 V238 F239 L245F100-F241 HydrophobicContact CD1-CE2 4.01Å; F100-F241 AromaticContact CE1-CE2 3.62Å; F100-F241 HydrophobicContact CE1-CE2 3.62Å; F100-F241 AromaticContact CE1-CZ 3.69Å; F100-F241 HydrophobicContact CE1-CZ 3.69Å; F179-F241 HydrophobicContact CD2-CB 4.41Å; F179-F241 HydrophobicContact CD2-CD2 4.18Å; F179-F241 HydrophobicContact CE1-CD2 4.29Å; F179-F241 HydrophobicContact CE2-CB 4.26Å; F179-F241 AromaticContact CE2-CD2 3.81Å; F179-F241 HydrophobicContact CE2-CD2 3.81Å; F179-F241 AromaticContact CZ-CD2 3.86Å; F179-F241 HydrophobicContact CZ-CD2 3.86Å; F179-F241 HydrophobicContact CZ-CE2 4.39Å; I182-F241 HydrophobicContact CB-CD2 4.34Å; I182-F241 HydrophobicContact CB-CG 4.41Å; I182-F241 HydrophobicContact CG2-CB 4.29Å; I182-F241 HydrophobicContact CG2-CD1 3.44Å; I182-F241 VanDerWaalsContact CG2-CD1 3.44Å; I182-F241 HydrophobicContact CG2-CD2 3.84Å; I182-F241 HydrophobicContact CG2-CE1 3.61Å; I182-F241 HydrophobicContact CG2-CE2 4.01Å; I182-F241 HydrophobicContact CG2-CG 3.56Å; I182-F241 HydrophobicContact CG2-CZ 3.89Å; Y183-F241 VanDerWaalsContact CA-CE2 3.49Å; Y183-F241 HydrophobicContact CD2-CE2 4.35Å; A186-F241 HydrophobicContact CB-CE1 4.06Å; A186-F241 HydrophobicContact CB-CZ 3.65Å; S237-F241 VanDerWaalsContact O-CB 3.23Å; S237-F241 WeakPolarHBondContact O-CB 3.21Å; S237-F241 PolarHBondContact O-N 3.4Å; V238-F241 PolarHBondContact O-N 3.11Å; F239-F241 VanDerWaalsContact C-N 3.34Å; F239-F241 PolarHBondContact O-N 2.8Å; F241-L245 HydrophobicContact CD2-CD1 4Å; F241-L245 HydrophobicContact CE2-CD1 4.1Å; F241-L245 HydrophobicContact CG-CD1 4.23Å; F241-L245 HydrophobicContact CZ-CD1 4.43Å; F241-L245 VanDerWaalsContact O-CB 3.22Å; F241-L245 WeakPolarHBondContact O-CB 3.27Å
242F90.1Very high86.4Confident126 Ų12659.2 Ų59.255%0.55329%0.287SS*.Iπ-helixtrans-86.6-39.6-173.2-68.7-69.9000113.6I182 V238 G246I182-F242 HydrophobicContact CG2-CE2 4.36Å; I182-F242 HydrophobicContact CG2-CZ 4.16Å; V238-F242 HydrophobicContact CG1-CD2 3.75Å; V238-F242 HydrophobicContact CG1-CE2 4.13Å; V238-F242 VanDerWaalsContact O-CD2 3.29Å; V238-F242 WeakPolarHBondContact O-CD2 3.35Å; V238-F242 PolarHBondContact O-N 3.44Å; F242-G246 VanDerWaalsContact O-CA 3.23Å; F242-G246 WeakPolarHBondContact O-CA 3.05Å; F242-G246 PolarHBondContact O-N 3.02Å
243W81.2Confident84.7Confident154 Ų15464.7 Ų64.758%0.58331%0.311SS*.Iπ-helixtrans-83.4-48.9-174.7-170.674.1000112F239 N247F239-W243 HydrophobicContact CD1-CB 4.48Å; F239-W243 HydrophobicContact CD1-CE3 4.33Å; F239-W243 HydrophobicContact CD2-CB 4.29Å; F239-W243 HydrophobicContact CE1-CB 4.32Å; F239-W243 AromaticContact CE1-CD2 3.9Å; F239-W243 HydrophobicContact CE1-CD2 3.9Å; F239-W243 AromaticContact CE1-CE3 3.34Å; F239-W243 HydrophobicContact CE1-CE3 3.34Å; F239-W243 HydrophobicContact CE1-CG 4.34Å; F239-W243 AromaticContact CE1-CZ3 3.9Å; F239-W243 HydrophobicContact CE1-CZ3 3.9Å; F239-W243 HydrophobicContact CE2-CB 4.12Å; F239-W243 HydrophobicContact CE2-CD2 4.19Å; F239-W243 HydrophobicContact CE2-CE3 4.45Å; F239-W243 HydrophobicContact CE2-CG 4.06Å; F239-W243 HydrophobicContact CG-CB 4.47Å; F239-W243 HydrophobicContact CZ-CB 4.14Å; F239-W243 AromaticContact CZ-CD2 3.51Å; F239-W243 HydrophobicContact CZ-CD2 3.51Å; F239-W243 AromaticContact CZ-CE3 3.41Å; F239-W243 HydrophobicContact CZ-CE3 3.41Å; F239-W243 VanDerWaalsContact CZ-CE3 3.41Å; F239-W243 AromaticContact CZ-CG 3.85Å; F239-W243 HydrophobicContact CZ-CG 3.85Å; F239-W243 AromaticContact CZ-CZ3 3.98Å; F239-W243 HydrophobicContact CZ-CZ3 3.98Å; F239-W243 WeakPolarHBondContact O-CA 3.49Å; F239-W243 WeakPolarHBondContact O-CB 3.29Å; F239-W243 PolarHBondContact O-N 2.93Å; W243-N247 WeakPolarHBondContact O-CB 3.48Å; W243-N247 PolarHBondContact O-N 3.32Å; W243-N247 PolarHBondContact O-ND2 3.47Å
244Y78.4Confident82.4Confident38 Ų3866.2 Ų66.215%0.14933%0.328CS..Iπ-helixtrans-67.2-53178.5178.2-91.4000110.7R8 D12 V102 A103 I106 S240 N247 V248R8-Y244 PolarHBondContact NH2-OH 2.92Å; D12-Y244 PolarHBondContact OD1-OH 3.13Å; D12-Y244 PolarHBondContact OD2-OH 3.22Å; V102-Y244 HydrophobicContact CG1-CE1 4.14Å; V102-Y244 WeakPolarHBondContact CG1-OH 3.33Å; A103-Y244 HydrophobicContact CB-CD1 3.8Å; A103-Y244 HydrophobicContact CB-CE1 4.26Å; I106-Y244 HydrophobicContact CD1-CD2 4.32Å; I106-Y244 HydrophobicContact CD1-CE2 4.05Å; S240-Y244 VanDerWaalsContact O-CB 3.29Å; S240-Y244 WeakPolarHBondContact O-CB 3.37Å; S240-Y244 PolarHBondContact O-N 3.1Å; Y244-N247 PolarHBondContact O-N 3.09Å; Y244-V248 HydrophobicContact CD1-CG2 4.29Å; Y244-V248 HydrophobicContact CE1-CG2 3.97Å; Y244-V248 WeakPolarHBondContact O-CG2 3.41Å; Y244-V248 PolarHBondContact O-N 2.82Å
245L80.3Confident80.2Confident2 Ų268.1 Ų68.11%0.0135%0.348CS..Hα-helixtrans-73.2-31.8-177.7-56.8167.6000113.1D99 F100 A103 F241 N247 V248 F249D99-L245 HydrophobicContact CB-CD2 3.93Å; D99-L245 WeakPolarHBondContact O-CD2 3.07Å; F100-L245 HydrophobicContact CD1-CD1 3.38Å; F100-L245 HydrophobicContact CD1-CD2 4.43Å; F100-L245 HydrophobicContact CE1-CD1 3.29Å; F100-L245 HydrophobicContact CG-CD1 4.32Å; F100-L245 HydrophobicContact CZ-CD1 4.1Å; A103-L245 HydrophobicContact CB-CD1 4.08Å; A103-L245 HydrophobicContact CB-CD2 3.85Å; A103-L245 HydrophobicContact CB-CG 3.86Å; F241-L245 HydrophobicContact CD2-CD1 4Å; F241-L245 HydrophobicContact CE2-CD1 4.1Å; F241-L245 HydrophobicContact CG-CD1 4.23Å; F241-L245 HydrophobicContact CZ-CD1 4.43Å; F241-L245 VanDerWaalsContact O-CB 3.22Å; F241-L245 WeakPolarHBondContact O-CB 3.27Å; L245-N247 VanDerWaalsContact C-N 3.28Å; L245-N247 PolarHBondContact O-N 3.04Å; L245-V248 PolarHBondContact O-N 3.06Å; L245-F249 HydrophobicContact CB-CD2 4.14Å; L245-F249 HydrophobicContact CB-CE2 3.76Å; L245-F249 HydrophobicContact CB-CZ 4.47Å; L245-F249 HydrophobicContact CD2-CE2 4.47Å; L245-F249 HydrophobicContact CD2-CZ 4.4Å; L245-F249 WeakPolarHBondContact O-CD2 3.13Å; L245-F249 WeakPolarHBondContact O-CG 3.4Å; L245-F249 PolarHBondContact O-N 3.19Å
246G79Confident77.9Confident36 Ų3672 Ų7237%0.37136%0.361SS..Hα-helixtrans-58.8-41.7173.800000111.9F242 S250F242-G246 VanDerWaalsContact O-CA 3.23Å; F242-G246 WeakPolarHBondContact O-CA 3.05Å; F242-G246 PolarHBondContact O-N 3.02Å; G246-S250 VanDerWaalsContact O-CB 3.31Å; G246-S250 WeakPolarHBondContact O-CB 3.41Å; G246-S250 PolarHBondContact O-N 2.63Å; G246-S250 PolarHBondContact O-OG 3.31Å; G246-S250 VanDerWaalsContact O-OG 3.14Å
247N74.7Confident75.3Confident73 Ų7377.2 Ų77.239%0.3939%0.393SS..Hα-helixtrans-69.8-38.6174.8-70-24.6000112.5W243 Y244 L245 S250 Q251W243-N247 WeakPolarHBondContact O-CB 3.48Å; W243-N247 PolarHBondContact O-N 3.32Å; W243-N247 PolarHBondContact O-ND2 3.47Å; Y244-N247 PolarHBondContact O-N 3.09Å; L245-N247 VanDerWaalsContact C-N 3.28Å; L245-N247 PolarHBondContact O-N 3.04Å; N247-S250 WeakPolarHBondContact CA-OG 3.4Å; N247-S250 PolarHBondContact O-OG 3.21Å; N247-Q251 WeakPolarHBondContact O-CG 3.38Å; N247-Q251 PolarHBondContact O-N 3.23Å; N247-Q251 VanDerWaalsContact O-N 3.14Å
248V74.9Confident72.5Confident15 Ų1582.9 Ų82.99%0.09143%0.433CS..Hα-helixtrans-66.8-42.7178.3171.70000111.5D99 Y244 L245 R252D99-V248 HydrophobicContact CB-CG1 4.39Å; Y244-V248 HydrophobicContact CD1-CG2 4.29Å; Y244-V248 HydrophobicContact CE1-CG2 3.97Å; Y244-V248 WeakPolarHBondContact O-CG2 3.41Å; Y244-V248 PolarHBondContact O-N 2.82Å; L245-V248 PolarHBondContact O-N 3.06Å; V248-R252 PolarHBondContact O-N 3.03Å
249F76.3Confident69.8Low57 Ų5792 Ų9225%0.2548%0.479CS..Hα-helixtrans-73.7-36.8179.3-63.6-43000112.4F96 F100 L245 Q251 R252 E253F96-F249 AromaticContact CD1-CE1 3.84Å; F96-F249 HydrophobicContact CD1-CE1 3.84Å; F96-F249 HydrophobicContact CD1-CZ 4.26Å; F96-F249 HydrophobicContact CE1-CD1 4.49Å; F96-F249 AromaticContact CE1-CE1 3.89Å; F96-F249 HydrophobicContact CE1-CE1 3.89Å; F100-F249 HydrophobicContact CD2-CZ 4.44Å; F100-F249 HydrophobicContact CE2-CE2 4.11Å; F100-F249 AromaticContact CE2-CZ 3.48Å; F100-F249 HydrophobicContact CE2-CZ 3.48Å; F100-F249 VanDerWaalsContact CE2-CZ 3.48Å; F100-F249 AromaticContact CZ-CE2 3.74Å; F100-F249 HydrophobicContact CZ-CE2 3.74Å; F100-F249 AromaticContact CZ-CZ 3.62Å; F100-F249 HydrophobicContact CZ-CZ 3.62Å; L245-F249 HydrophobicContact CB-CD2 4.14Å; L245-F249 HydrophobicContact CB-CE2 3.76Å; L245-F249 HydrophobicContact CB-CZ 4.47Å; L245-F249 HydrophobicContact CD2-CE2 4.47Å; L245-F249 HydrophobicContact CD2-CZ 4.4Å; L245-F249 WeakPolarHBondContact O-CD2 3.13Å; L245-F249 WeakPolarHBondContact O-CG 3.4Å; L245-F249 PolarHBondContact O-N 3.19Å; F249-Q251 VanDerWaalsContact C-N 3.31Å; F249-Q251 PolarHBondContact O-N 3.2Å; F249-R252 PolarHBondContact O-N 3.22Å; F249-R252 VanDerWaalsContact O-N 3.1Å; F249-E253 PolarHBondContact O-N 3.29Å
250S73.5Confident68.5Low66 Ų6690.6 Ų90.646%0.46248%0.476SS..Hα-helixtrans-63.2-37.417567.80000112.4G246 N247 R252 E253G246-S250 VanDerWaalsContact O-CB 3.31Å; G246-S250 WeakPolarHBondContact O-CB 3.41Å; G246-S250 PolarHBondContact O-N 2.63Å; G246-S250 PolarHBondContact O-OG 3.31Å; G246-S250 VanDerWaalsContact O-OG 3.14Å; N247-S250 WeakPolarHBondContact CA-OG 3.4Å; N247-S250 PolarHBondContact O-OG 3.21Å; S250-R252 VanDerWaalsContact C-N 3.26Å; S250-R252 PolarHBondContact O-N 2.74Å; S250-E253 PolarHBondContact O-N 3.23Å
251Q68.2Low67.2Low162 Ų16295.1 Ų95.176%0.75750%0.5SS*.Hα-helixtrans-66.8-24.8174.8-74.6-170.8-1.200113.7N247 F249N247-Q251 WeakPolarHBondContact O-CG 3.38Å; N247-Q251 PolarHBondContact O-N 3.23Å; N247-Q251 VanDerWaalsContact O-N 3.14Å; F249-Q251 VanDerWaalsContact C-N 3.31Å; F249-Q251 PolarHBondContact O-N 3.2Å
252R68.5Low65.7Low107 Ų10799.4 Ų99.440%0.40452%0.523SS..Hα-helixtrans-78.5-31.4176.4-76.3-173.8174.5154.811113.5D99 V248 F249 S250 G254D99-R252 IonicContact OD1-NH2 3.33Å; D99-R252 PolarHBondContact OD1-NH2 3.4Å; D99-R252 IonicContact OD2-CZ 3.28Å; D99-R252 IonicContact OD2-NH1 2.79Å; D99-R252 PolarHBondContact OD2-NH1 3.25Å; D99-R252 IonicContact OD2-NH2 2.68Å; D99-R252 PolarHBondContact OD2-NH2 3.37Å; V248-R252 PolarHBondContact O-N 3.03Å; F249-R252 PolarHBondContact O-N 3.22Å; F249-R252 VanDerWaalsContact O-N 3.1Å; S250-R252 VanDerWaalsContact C-N 3.26Å; S250-R252 PolarHBondContact O-N 2.74Å; R252-G254 PolarHBondContact O-N 3.25Å
253E64.1Low64.3Low140 Ų14097.9 Ų97.965%0.65452%0.522SS*.Hα-helixtrans-71.9-11.6178-67.9-172.8174.800112.6F249 S250F249-E253 PolarHBondContact O-N 3.29Å; S250-E253 PolarHBondContact O-N 3.23Å
254G49.8Very low63.2Low33 Ų3394.4 Ų94.434%0.3452%0.518SS..  trans67.4169.5-174.500000112.1R252 K256R252-G254 PolarHBondContact O-N 3.25Å; G254-K256 PolarHBondContact O-N 3.01Å; G254-K256 VanDerWaalsContact O-N 3.11Å
255P51.4Low62.2Low124 Ų12498.1 Ų98.181%0.80554%0.542SS*.  trans-60.9119.9169.124.3-29000108T257P255-T257 VanDerWaalsContact C-N 3.33Å; P255-T257 PolarHBondContact O-N 3.44Å
256K51.5Low60.9Low178 Ų178105 Ų10577%0.77458%0.58SS**  trans-57.5101.8168.3-68.3-176.8-179.7179.30106.4G254 S258G254-K256 PolarHBondContact O-N 3.01Å; G254-K256 VanDerWaalsContact O-N 3.11Å; K256-S258 VanDerWaalsContact C-N 3.35Å; K256-S258 PolarHBondContact O-N 2.03Å
257T41.6Very low59.5Low123 Ų123110.3 Ų110.376%0.75560%0.597SS**  trans-61103.9170340000106.4P255 L259P255-T257 VanDerWaalsContact C-N 3.33Å; P255-T257 PolarHBondContact O-N 3.44Å; T257-L259 PolarHBondContact O-N 2.78Å
258S40Very low58.3Low119 Ų119113.4 Ų113.483%0.83261%0.614SS**  trans-60.8103.8165.950.70000107.2K256K256-S258 VanDerWaalsContact C-N 3.35Å; K256-S258 PolarHBondContact O-N 2.03Å
259L39.3Very low56.7Low237 Ų237122.4 Ų122.4100%1.24166%0.661SS**  trans-77.70162.4-93.9154.7000109.1T257T257-L259 PolarHBondContact O-N 2.78Å

Retrieved 259 of 259 residues in 406.1 ms (Link to these results)

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