A0A3Q0KKE2_SCHMA Loading...

Protein SHQ1 homolog

AlphaFold DB , UniProt , Accession A0A3Q0KKE2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 447 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
1M58.9Low88.5Confident224 Ų22466.4 Ų66.4100%1.10334%0.337SS*.  0116.20-171.9179.5-104.700105.4
2V83.1Confident88.6Confident103 Ų10367.8 Ų67.862%0.62435%0.347SS*.PPolyproline II helixtrans-73.6139.4177.4-108.50000108.7
3L88.9Confident88.7Confident82 Ų8269.5 Ų69.543%0.42936%0.357SS..BIsolated β-bridgetrans-100.4138.1178.1-65.5175.2000109.5P45 Y46 Y47L3-P45 HydrophobicContact CD1-CG 4.18Å; L3-P45 PolarHBondContact N-O 3.47Å; L3-Y46 HydrophobicContact CB-CD1 3.86Å; L3-Y46 HydrophobicContact CB-CE1 4.08Å; L3-Y46 HydrophobicContact CD1-CE1 4.36Å; L3-Y46 CarbonylContact O-C 3.46Å; L3-Y46 WeakPolarHBondContact O-CA 3.17Å; L3-Y47 PolarHBondContact O-N 3.01Å
4T91.7Very high88.8Confident64 Ų6474.5 Ų74.539%0.39338%0.375SS..PPolyproline II helixtrans-84.9119168.1-55.60000108.4L48 L94 I236T4-L48 HydrophobicContact CG2-CD1 4.03Å; T4-L94 HydrophobicContact CG2-CD2 4.23Å; T4-I236 HydrophobicContact CG2-CG2 3.7Å
5P93.2Very high89.1Confident2 Ų274 Ų741%0.01337%0.369CS..PPolyproline II helixtrans-68.3155.9179.129.9-33.9000110.6F7 I20 A22 F41 Y46 L48 I236P5-F7 PolarHBondContact O-N 3.27Å; P5-I20 HydrophobicContact CB-CG2 3.6Å; P5-I20 HydrophobicContact CG-CG2 3.62Å; P5-A22 HydrophobicContact CB-CB 4.09Å; P5-F41 HydrophobicContact CG-CD1 4.32Å; P5-F41 HydrophobicContact CG-CE1 4.26Å; P5-Y46 HydrophobicContact CB-CD1 3.64Å; P5-Y46 HydrophobicContact CB-CE1 4.22Å; P5-Y46 HydrophobicContact CB-CG 4.11Å; P5-Y46 HydrophobicContact CG-CD1 4.31Å; P5-L48 HydrophobicContact CG-CB 3.9Å; P5-L48 HydrophobicContact CG-CD2 4.42Å; P5-I236 WeakPolarHBondContact O-CD1 3.4Å
6I92.7Very high89.4Confident36 Ų3669.4 Ų69.419%0.18535%0.346CS..EExtended strand (participates in β ladder)trans-70.3131170.1-62.8169.8000107.3H21 R232 H233 I236I6-H21 HydrophobicContact CB-CB 4.23Å; I6-H21 PolarHBondContact O-N 2.81Å; I6-R232 HydrophobicContact CG2-CB 3.84Å; I6-H233 HydrophobicContact CD1-CB 3.96Å; I6-H233 HydrophobicContact CG1-CB 4.17Å; I6-I236 HydrophobicContact CB-CD1 4.45Å; I6-I236 HydrophobicContact CG1-CD1 4.32Å
7F93.9Very high89.6Confident3 Ų368.1 Ų68.11%0.01334%0.338CS..EExtended strand (participates in β ladder)trans-139.6159179.776.3-76.4000111.7P5 L9 I19 I20 L48 F50 I90 L93 L94 I236P5-F7 PolarHBondContact O-N 3.27Å; F7-L9 HydrophobicContact CD2-CD2 4.38Å; F7-I19 CarbonylContact C-O 3.6Å; F7-I19 WeakPolarHBondContact CA-O 3.43Å; F7-I19 WeakPolarHBondContact CB-O 3.36Å; F7-I20 HydrophobicContact CB-CG1 4.29Å; F7-L48 HydrophobicContact CB-CD2 3.94Å; F7-L48 HydrophobicContact CD1-CD1 3.68Å; F7-L48 HydrophobicContact CD1-CD2 4.11Å; F7-L48 HydrophobicContact CD2-CD2 4.23Å; F7-L48 HydrophobicContact CE1-CD1 3.69Å; F7-L48 HydrophobicContact CG-CD1 4.21Å; F7-L48 HydrophobicContact CG-CD2 3.83Å; F7-L48 HydrophobicContact CZ-CD1 4.21Å; F7-F50 HydrophobicContact CD2-CD1 4.47Å; F7-F50 HydrophobicContact CD2-CE1 4.33Å; F7-F50 HydrophobicContact CE2-CD1 4.03Å; F7-F50 HydrophobicContact CE2-CE1 4.22Å; F7-F50 HydrophobicContact CE2-CG 4.35Å; F7-F50 HydrophobicContact CZ-CD1 4.43Å; F7-I90 HydrophobicContact CE1-CG2 3.88Å; F7-I90 HydrophobicContact CZ-CG2 4.01Å; F7-L93 HydrophobicContact CE2-CD1 4.39Å; F7-L94 HydrophobicContact CE1-CD1 4.37Å; F7-L94 HydrophobicContact CE1-CD2 3.75Å; F7-L94 HydrophobicContact CE1-CG 4.08Å; F7-L94 HydrophobicContact CZ-CD2 4.01Å; F7-L94 HydrophobicContact CZ-CG 4.17Å; F7-I236 HydrophobicContact CD1-CD1 4.27Å; F7-I236 HydrophobicContact CE1-CG1 4.4Å
8R93.1Very high89.9Confident71 Ų7164.3 Ų64.327%0.26832%0.319SS..EExtended strand (participates in β ladder)trans-145.5154.3171.464.9-171.1-174.2110.25.5110.3E10 I19 R232R8-E10 IonicContact CZ-OE1 2.66Å; R8-E10 IonicContact NH1-OE1 3.73Å; R8-E10 PolarHBondContact NH1-OE1 3.12Å; R8-E10 IonicContact NH2-OE1 3.11Å; R8-E10 PolarHBondContact NH2-OE1 2.9Å; R8-I19 HydrophobicContact CG-CB 3.78Å; R8-I19 HydrophobicContact CG-CD1 4.25Å; R8-I19 HydrophobicContact CG-CG1 4.43Å; R8-I19 HydrophobicContact CG-CG2 4.32Å; R8-I19 PolarHBondContact N-O 2.93Å; R8-I19 PolarHBondContact O-N 3.3Å; R8-R232 VanDerWaalsContact CD-CZ 3.41Å
9L93.4Very high90.2Very high8 Ų861.1 Ų61.14%0.04230%0.303CS..EExtended strand (participates in β ladder)trans-112.2125.1179.8-57.7-177.8000109.1F7 L16 K17 V18 F50 L87 L93F7-L9 HydrophobicContact CD2-CD2 4.38Å; L9-L16 HydrophobicContact CB-CD1 4.4Å; L9-K17 WeakPolarHBondContact CA-O 3.4Å; L9-V18 HydrophobicContact CD2-CB 4.07Å; L9-V18 HydrophobicContact CD2-CG1 3.86Å; L9-V18 HydrophobicContact CD2-CG2 3.8Å; L9-F50 HydrophobicContact CD1-CE2 3.96Å; L9-F50 HydrophobicContact CD1-CZ 4.35Å; L9-F50 HydrophobicContact CD2-CE1 4.44Å; L9-F50 HydrophobicContact CD2-CE2 4.17Å; L9-F50 HydrophobicContact CD2-CZ 3.72Å; L9-L87 HydrophobicContact CB-CB 4.06Å; L9-L87 HydrophobicContact CB-CD1 4.13Å; L9-L87 HydrophobicContact CB-CD2 4.25Å; L9-L87 HydrophobicContact CB-CG 4.38Å; L9-L87 HydrophobicContact CD1-CD2 3.9Å; L9-L93 HydrophobicContact CD1-CD1 3.7Å
10E91.6Very high90.4Very high78 Ų7858 Ų5836%0.36429%0.288SS..EExtended strand (participates in β ladder)trans-111.7158.6168.1-65.9-178.5170.800109R8 K17 I19R8-E10 IonicContact CZ-OE1 2.66Å; R8-E10 IonicContact NH1-OE1 3.73Å; R8-E10 PolarHBondContact NH1-OE1 3.12Å; R8-E10 IonicContact NH2-OE1 3.11Å; R8-E10 PolarHBondContact NH2-OE1 2.9Å; E10-K17 HydrophobicContact CB-CB 4.2Å; E10-K17 PolarHBondContact N-O 2.87Å; E10-K17 PolarHBondContact O-N 2.95Å; E10-I19 HydrophobicContact CG-CD1 3.84Å
11Q92.6Very high90.6Very high59 Ų5959 Ų5928%0.27629%0.292SS..EExtended strand (participates in β ladder)trans-149.2150.7178.163.7179.1-35.600112K15 L16 L83 F84 L87Q11-K15 WeakPolarHBondContact CA-O 3.45Å; Q11-L16 HydrophobicContact CB-CD1 4.2Å; Q11-L83 HydrophobicContact CG-CD2 4.19Å; Q11-F84 PolarHBondContact NE2-O 2.97Å; Q11-L87 HydrophobicContact CB-CD1 4.04Å; Q11-L87 VanDerWaalsContact CD-CD1 3.43Å; Q11-L87 HydrophobicContact CG-CD1 3.69Å
12D90.1Very high92.2Very high84 Ų8448.6 Ų48.645%0.44924%0.241SC..  trans-111.7-170.1158.468.540.1000109.4K14 K15 K78D12-K14 PolarHBondContact O-N 3.46Å; D12-K14 WeakPolarHBondContact OD1-CA 3.43Å; D12-K14 PolarHBondContact OD1-N 2.77Å; D12-K15 PolarHBondContact N-O 3.19Å; D12-K15 PolarHBondContact OD1-N 2.93Å; D12-K78 PolarHBondContact O-NZ 3.38Å
13D89.6Confident92.5Very high90 Ų9048 Ų4848%0.48124%0.239SC..SBendtrans-63.2-26.6-179.7-173.650.8000113.6P81 G82D13-P81 CarbonylContact O-C 3.36Å; D13-P81 VanDerWaalsContact O-CA 3.25Å; D13-P81 WeakPolarHBondContact O-CA 3.4Å; D13-G82 PolarHBondContact O-N 3.18Å; D13-G82 PolarHBondContact OD1-N 2.97Å
14K91Very high92.5Very high139 Ų13950.4 Ų50.460%0.60425%0.25SC*.SBendtrans-118-22.2-170.9-62.9-175.8-179.3-178.90114.6D12 K78D12-K14 PolarHBondContact O-N 3.46Å; D12-K14 WeakPolarHBondContact OD1-CA 3.43Å; D12-K14 PolarHBondContact OD1-N 2.77Å; K14-K78 VanDerWaalsContact O-CB 3.3Å; K14-K78 WeakPolarHBondContact O-CB 3.4Å; K14-K78 WeakPolarHBondContact O-CG 3.49Å; K14-K78 PolarHBondContact O-N 2.87Å
15K92.5Very high92.4Very high67 Ų6748.2 Ų48.229%0.29124%0.239SC..EExtended strand (participates in β ladder)trans-128.5146.7-171.4-61.7-171.1169.5-154.30110.9Q11 D12 T75 L76 E77 K78Q11-K15 WeakPolarHBondContact CA-O 3.45Å; D12-K15 PolarHBondContact N-O 3.19Å; D12-K15 PolarHBondContact OD1-N 2.93Å; K15-T75 HydrophobicContact CB-CG2 4.09Å; K15-T75 HydrophobicContact CD-CG2 3.71Å; K15-T75 HydrophobicContact CG-CG2 4.35Å; K15-L76 CarbonylContact C-O 3.54Å; K15-L76 VanDerWaalsContact CA-O 3.29Å; K15-L76 WeakPolarHBondContact CA-O 3.28Å; K15-E77 IonicContact NZ-OE1 3.09Å; K15-K78 WeakPolarHBondContact O-CE 3.34Å
16L93.5Very high92.1Very high0 Ų052.8 Ų52.80%026%0.258CS..EExtended strand (participates in β ladder)trans-113.8125.6171.3178.472.1000107.6L9 Q11 I52 V56 L76 F84 L87L9-L16 HydrophobicContact CB-CD1 4.4Å; Q11-L16 HydrophobicContact CB-CD1 4.2Å; L16-I52 HydrophobicContact CD2-CG2 3.57Å; L16-V56 HydrophobicContact CD2-CG1 4.31Å; L16-L76 HydrophobicContact CB-CB 4.44Å; L16-L76 HydrophobicContact CD2-CD1 4.37Å; L16-L76 PolarHBondContact N-O 3.14Å; L16-L76 PolarHBondContact O-N 3.41Å; L16-F84 HydrophobicContact CD1-CD2 4.23Å; L16-F84 HydrophobicContact CD2-CD2 4.27Å; L16-F84 HydrophobicContact CD2-CE2 4.16Å; L16-L87 HydrophobicContact CD1-CD1 4.08Å; L16-L87 HydrophobicContact CD1-CD2 4.21Å
17K94Very high91.7Very high47 Ų4755.2 Ų55.220%0.20427%0.271CS..EExtended strand (participates in β ladder)trans-107.6118.7179.7-155.5177-161.2-175.60109.4L9 E10 I19 E66 H73 I74L9-K17 WeakPolarHBondContact CA-O 3.4Å; E10-K17 HydrophobicContact CB-CB 4.2Å; E10-K17 PolarHBondContact N-O 2.87Å; E10-K17 PolarHBondContact O-N 2.95Å; K17-I19 HydrophobicContact CG-CG1 4.32Å; K17-E66 WeakPolarHBondContact CE-OE1 3.36Å; K17-E66 IonicContact NZ-OE1 2.7Å; K17-E66 PolarHBondContact NZ-OE1 2.76Å; K17-H73 VanDerWaalsContact CE-ND1 3.27Å; K17-H73 WeakPolarHBondContact CE-ND1 3.42Å; K17-H73 PolarHBondContact NZ-ND1 3.38Å; K17-I74 CarbonylContact C-O 3.57Å; K17-I74 WeakPolarHBondContact CA-O 3.33Å
18V94.9Very high91.4Very high0 Ų060.5 Ų60.50%031%0.308CS..EExtended strand (participates in β ladder)trans-95.6114.6172.9-1700000107.6L9 I20 F39 F50 I74 L76L9-V18 HydrophobicContact CD2-CB 4.07Å; L9-V18 HydrophobicContact CD2-CG1 3.86Å; L9-V18 HydrophobicContact CD2-CG2 3.8Å; V18-I20 HydrophobicContact CG1-CD1 4.06Å; V18-I20 HydrophobicContact CG1-CG1 3.85Å; V18-F39 HydrophobicContact CB-CE2 4.46Å; V18-F39 HydrophobicContact CB-CZ 4.31Å; V18-F39 HydrophobicContact CG1-CE1 4.11Å; V18-F39 HydrophobicContact CG1-CZ 4.04Å; V18-F39 HydrophobicContact CG2-CD2 4.26Å; V18-F39 HydrophobicContact CG2-CE2 3.98Å; V18-F39 HydrophobicContact CG2-CZ 4.27Å; V18-F50 HydrophobicContact CG1-CE1 4.04Å; V18-F50 HydrophobicContact CG1-CZ 4.15Å; V18-F50 HydrophobicContact CG2-CZ 4.1Å; V18-I74 HydrophobicContact CB-CB 4.28Å; V18-I74 PolarHBondContact N-O 2.89Å; V18-I74 PolarHBondContact O-N 3.28Å; V18-L76 HydrophobicContact CG2-CD1 4.08Å
19I95Very high91Very high3 Ų361.7 Ų61.72%0.01532%0.317CS..EExtended strand (participates in β ladder)trans-106.5118.9-179.9-54.7176.1000107.4F7 R8 E10 K17 D71 I72F7-I19 CarbonylContact C-O 3.6Å; F7-I19 WeakPolarHBondContact CA-O 3.43Å; F7-I19 WeakPolarHBondContact CB-O 3.36Å; R8-I19 HydrophobicContact CG-CB 3.78Å; R8-I19 HydrophobicContact CG-CD1 4.25Å; R8-I19 HydrophobicContact CG-CG1 4.43Å; R8-I19 HydrophobicContact CG-CG2 4.32Å; R8-I19 PolarHBondContact N-O 2.93Å; R8-I19 PolarHBondContact O-N 3.3Å; E10-I19 HydrophobicContact CG-CD1 3.84Å; K17-I19 HydrophobicContact CG-CG1 4.32Å; I19-D71 HydrophobicContact CG2-CB 4Å; I19-I72 WeakPolarHBondContact CA-O 3.39Å
20I95.2Very high90.9Very high0 Ų063 Ų630%032%0.323CS..EExtended strand (participates in β ladder)trans-120.4119.1-173.5-54.3179.3000109.2P5 F7 V18 A22 F39 F41 L48 I72 I74P5-I20 HydrophobicContact CB-CG2 3.6Å; P5-I20 HydrophobicContact CG-CG2 3.62Å; F7-I20 HydrophobicContact CB-CG1 4.29Å; V18-I20 HydrophobicContact CG1-CD1 4.06Å; V18-I20 HydrophobicContact CG1-CG1 3.85Å; I20-A22 HydrophobicContact CG2-CB 4.02Å; I20-F39 HydrophobicContact CD1-CE1 4.17Å; I20-F39 HydrophobicContact CD1-CZ 4.34Å; I20-F41 HydrophobicContact CD1-CB 3.97Å; I20-F41 HydrophobicContact CD1-CD1 4.02Å; I20-F41 HydrophobicContact CD1-CD2 3.63Å; I20-F41 HydrophobicContact CD1-CE1 4.44Å; I20-F41 HydrophobicContact CD1-CE2 4.09Å; I20-F41 HydrophobicContact CD1-CG 3.6Å; I20-F41 HydrophobicContact CD1-CZ 4.48Å; I20-F41 HydrophobicContact CG2-CD1 4.49Å; I20-F41 HydrophobicContact CG2-CE1 4.13Å; I20-F41 HydrophobicContact CG2-CZ 4.28Å; I20-L48 HydrophobicContact CD1-CD2 3.89Å; I20-L48 HydrophobicContact CG1-CD2 4.22Å; I20-I72 HydrophobicContact CB-CB 4.36Å; I20-I72 PolarHBondContact N-O 3.18Å; I20-I72 PolarHBondContact O-N 2.62Å; I20-I74 HydrophobicContact CD1-CD1 3.83Å
21H94Very high90.8Very high79 Ų7966 Ų6637%0.36634%0.337SS..EExtended strand (participates in β ladder)trans-90.8101.6171.7-175.173.6000109.7I6 D71I6-H21 HydrophobicContact CB-CB 4.23Å; I6-H21 PolarHBondContact O-N 2.81Å; H21-D71 WeakPolarHBondContact CA-OD1 3.2Å; H21-D71 WeakPolarHBondContact CB-OD1 3.44Å; H21-D71 IonicContact CE1-OD1 2.69Å; H21-D71 IonicContact CG-OD1 2.98Å; H21-D71 IonicContact ND1-OD1 2.56Å; H21-D71 PolarHBondContact ND1-OD1 3.16Å
22A91.9Very high90.7Very high6 Ų664 Ų645%0.0533%0.329CS..  trans-137.670.8-174.500000111.3P5 I20 M24 A25 F41 Y46 I72P5-A22 HydrophobicContact CB-CB 4.09Å; I20-A22 HydrophobicContact CG2-CB 4.02Å; A22-M24 PolarHBondContact O-N 3.43Å; A22-M24 VanDerWaalsContact O-N 3.14Å; A22-A25 HydrophobicContact CB-CB 3.83Å; A22-A25 WeakPolarHBondContact O-CB 3.11Å; A22-A25 PolarHBondContact O-N 2.98Å; A22-F41 HydrophobicContact CB-CZ 4.48Å; A22-Y46 HydrophobicContact CB-CD1 4.49Å; A22-Y46 HydrophobicContact CB-CD2 3.64Å; A22-Y46 HydrophobicContact CB-CE2 3.75Å; A22-Y46 HydrophobicContact CB-CG 4.02Å; A22-I72 HydrophobicContact CB-CD1 4.42Å
23P90.3Very high90.7Very high89 Ų8962.7 Ų62.758%0.57833%0.326SS*.THydrogen-bonded Turntrans-64.7-22.8-169.824.1-35.6000114.8Y46P23-Y46 WeakPolarHBondContact CD-OH 3.48Å
24M89.1Confident90.7Very high133 Ų13359.5 Ų59.566%0.65531%0.309SS*.THydrogen-bonded Turntrans-95.76.8176.1-58.6-176.56400113.5A22 P45 Y46A22-M24 PolarHBondContact O-N 3.43Å; A22-M24 VanDerWaalsContact O-N 3.14Å; M24-P45 HydrophobicContact CB-CG 4.27Å; M24-P45 WeakPolarHBondContact O-CD 3.37Å; M24-Y46 HydrophobicContact CB-CE2 3.79Å
25A89.2Confident90.6Very high19 Ų1958.2 Ų58.216%0.15731%0.306CS..  trans-67.2133.5-177.100000110.9A22 I27 S43 Y46 I72A22-A25 HydrophobicContact CB-CB 3.83Å; A22-A25 WeakPolarHBondContact O-CB 3.11Å; A22-A25 PolarHBondContact O-N 2.98Å; A25-I27 PolarHBondContact O-N 2.84Å; A25-S43 WeakPolarHBondContact CB-OG 3.43Å; A25-Y46 HydrophobicContact CB-CD2 4.06Å; A25-Y46 HydrophobicContact CB-CE2 4.38Å; A25-I72 HydrophobicContact CB-CD1 4.3Å
26K87.6Confident90.1Very high97 Ų9764.2 Ų64.242%0.42234%0.335SS..  trans-84.498.5167.8-68176.7178.3179.50109.3S28 E29 M30 S43 S44K26-S28 PolarHBondContact O-N 3.14Å; K26-S28 VanDerWaalsContact O-N 3.12Å; K26-E29 HydrophobicContact CB-CB 4.26Å; K26-E29 HydrophobicContact CB-CG 4.46Å; K26-E29 VanDerWaalsContact CD-CD 3.42Å; K26-E29 HydrophobicContact CD-CG 4.35Å; K26-E29 WeakPolarHBondContact CD-OE1 3.45Å; K26-E29 WeakPolarHBondContact CD-OE2 3.2Å; K26-E29 VanDerWaalsContact NZ-CD 3.32Å; K26-E29 IonicContact NZ-OE1 2.81Å; K26-E29 PolarHBondContact NZ-OE1 2.9Å; K26-E29 IonicContact NZ-OE2 3.01Å; K26-E29 PolarHBondContact NZ-OE2 2.93Å; K26-E29 CarbonylContact O-C 3.52Å; K26-E29 PolarHBondContact O-N 2.7Å; K26-M30 PolarHBondContact O-N 3.04Å; K26-S43 PolarHBondContact N-OG 3.46Å; K26-S43 PolarHBondContact O-OG 2.95Å; K26-S44 PolarHBondContact N-O 2.87Å
27I83.9Confident89.8Confident87 Ų8766.4 Ų66.445%0.44635%0.345SS..G310 helixtrans-56.3-32-179.6-61.9166.6000112.4A25 E29 M30 F67A25-I27 PolarHBondContact O-N 2.84Å; I27-E29 PolarHBondContact O-N 2.87Å; I27-M30 WeakPolarHBondContact O-CB 3.41Å; I27-M30 PolarHBondContact O-N 2.87Å; I27-F67 HydrophobicContact CB-CZ 4.04Å; I27-F67 HydrophobicContact CD1-CD1 4Å; I27-F67 HydrophobicContact CD1-CE1 3.41Å; I27-F67 VanDerWaalsContact CD1-CE1 3.41Å; I27-F67 HydrophobicContact CD1-CE2 4.09Å; I27-F67 HydrophobicContact CD1-CZ 3.51Å; I27-F67 HydrophobicContact CG1-CE1 3.59Å; I27-F67 HydrophobicContact CG1-CE2 4.44Å; I27-F67 HydrophobicContact CG1-CZ 3.53Å; I27-F67 HydrophobicContact CG2-CE1 4.31Å; I27-F67 HydrophobicContact CG2-CE2 3.75Å; I27-F67 HydrophobicContact CG2-CZ 3.35Å
28S86Confident89.7Confident115 Ų11565 Ų6580%0.80434%0.34SS*.G310 helixtrans-66-20.1176.957.50000114.6K26K26-S28 PolarHBondContact O-N 3.14Å; K26-S28 VanDerWaalsContact O-N 3.12Å
29E86.4Confident89.6Confident95 Ų9565 Ų6544%0.44434%0.34SS..G310 helixtrans-113.219.1-179.1-63171.7-161.900110.5K26 I27K26-E29 HydrophobicContact CB-CB 4.26Å; K26-E29 HydrophobicContact CB-CG 4.46Å; K26-E29 VanDerWaalsContact CD-CD 3.42Å; K26-E29 HydrophobicContact CD-CG 4.35Å; K26-E29 WeakPolarHBondContact CD-OE1 3.45Å; K26-E29 WeakPolarHBondContact CD-OE2 3.2Å; K26-E29 VanDerWaalsContact NZ-CD 3.32Å; K26-E29 IonicContact NZ-OE1 2.81Å; K26-E29 PolarHBondContact NZ-OE1 2.9Å; K26-E29 IonicContact NZ-OE2 3.01Å; K26-E29 PolarHBondContact NZ-OE2 2.93Å; K26-E29 CarbonylContact O-C 3.52Å; K26-E29 PolarHBondContact O-N 2.7Å; I27-E29 PolarHBondContact O-N 2.87Å
30M90Very high89.6Confident35 Ų3567.4 Ų67.417%0.17235%0.349CS..  trans-77.1123.1-178.1176.6178.1158.700111.2K26 I27 V32 F41 D42 Y65 I72 I74K26-M30 PolarHBondContact O-N 3.04Å; I27-M30 WeakPolarHBondContact O-CB 3.41Å; I27-M30 PolarHBondContact O-N 2.87Å; M30-V32 HydrophobicContact CE-CG2 3.33Å; M30-V32 HydrophobicContact CG-CG2 4.29Å; M30-F41 HydrophobicContact CE-CD2 4.29Å; M30-F41 HydrophobicContact CE-CE2 4.07Å; M30-F41 HydrophobicContact CG-CD2 4.43Å; M30-F41 HydrophobicContact CG-CE2 3.94Å; M30-F41 HydrophobicContact SD-CE2 4.05Å; M30-D42 WeakPolarHBondContact CA-O 3.34Å; M30-Y65 HydrophobicContact CE-CG 4.32Å; M30-I72 HydrophobicContact CE-CG2 3.75Å; M30-I72 HydrophobicContact SD-CD1 4.31Å; M30-I72 HydrophobicContact SD-CG2 3.99Å; M30-I74 HydrophobicContact CE-CD1 3.77Å; M30-I74 HydrophobicContact CE-CG1 3.99Å
31E90.7Very high89.5Confident141 Ų14167.4 Ų67.466%0.65935%0.349SS*.EExtended strand (participates in β ladder)trans-119129.8173.8-65-177-179.600109.8F41 D42E31-F41 WeakPolarHBondContact O-CA 3.18Å; E31-D42 HydrophobicContact CB-CB 4.47Å; E31-D42 PolarHBondContact N-O 2.93Å; E31-D42 PolarHBondContact O-N 3.47Å
32V90.7Very high89.4Confident19 Ų1966.7 Ų66.712%0.11535%0.348CS..EExtended strand (participates in β ladder)trans-128.5130.7176.5179.30000108.4M30 F39 Y40 F41 F63 I74M30-V32 HydrophobicContact CE-CG2 3.33Å; M30-V32 HydrophobicContact CG-CG2 4.29Å; V32-F39 HydrophobicContact CG1-CE2 3.7Å; V32-F39 HydrophobicContact CG1-CZ 3.89Å; V32-Y40 WeakPolarHBondContact CA-O 3.35Å; V32-F41 HydrophobicContact CG2-CD2 4.02Å; V32-F63 HydrophobicContact CB-CE1 4.47Å; V32-F63 HydrophobicContact CB-CE2 3.97Å; V32-F63 HydrophobicContact CB-CZ 3.93Å; V32-F63 HydrophobicContact CG1-CD2 4.42Å; V32-F63 HydrophobicContact CG1-CE2 4.33Å; V32-F63 HydrophobicContact CG1-CZ 4.43Å; V32-F63 HydrophobicContact CG2-CE2 4.46Å; V32-I74 HydrophobicContact CG1-CD1 4.31Å; V32-I74 HydrophobicContact CG1-CG2 4.18Å; V32-I74 HydrophobicContact CG2-CD1 3.67Å
33C89.8Confident89.5Confident56 Ų5666.4 Ų66.438%0.37835%0.346SS..EExtended strand (participates in β ladder)trans-145.5149.4178.8-174.10000110.4Y40C33-Y40 PolarHBondContact N-O 2.93Å; C33-Y40 PolarHBondContact O-N 3.05Å
34V89.5Confident89.4Confident22 Ų2264.9 Ų64.913%0.13334%0.337CS..EExtended strand (participates in β ladder)trans-126.2117.2170.7-177.30000109.1T38 F39 I52 V56 T58 L76V34-T38 VanDerWaalsContact CA-O 3.31Å; V34-T38 WeakPolarHBondContact CA-O 3.43Å; V34-F39 HydrophobicContact CG2-CD2 3.9Å; V34-I52 HydrophobicContact CG1-CD1 3.65Å; V34-I52 HydrophobicContact CG2-CD1 4.26Å; V34-V56 HydrophobicContact CG1-CG2 3.67Å; V34-T58 HydrophobicContact CG1-CG2 4.26Å; V34-L76 HydrophobicContact CG2-CD1 4.16Å; V34-L76 HydrophobicContact CG2-CD2 4.15Å
35E87.5Confident89.6Confident113 Ų11360.1 Ų60.153%0.52832%0.316SS..EExtended strand (participates in β ladder)trans-124129.5178-58.6-174.8158.900110.2Q37 T38 Y40E35-Q37 PolarHBondContact O-N 2.86Å; E35-T38 PolarHBondContact N-O 2.88Å; E35-T38 PolarHBondContact O-N 3.05Å; E35-Y40 HydrophobicContact CB-CE2 4.11Å; E35-Y40 HydrophobicContact CG-CE2 4.27Å
36E82.8Confident89.8Confident192 Ų19260.2 Ų60.290%0.89731%0.313SS*.THydrogen-bonded Turntrans48.927.8171.6-58.1-170.416800115.6
37Q88Confident90Very high47 Ų4759.6 Ų59.622%0.2231%0.308CS..THydrogen-bonded Turntrans90-0.2-173.9-56.8-67.9104.300117.3E35 I52 G54 S55E35-Q37 PolarHBondContact O-N 2.86Å; Q37-I52 PolarHBondContact NE2-O 2.85Å; Q37-I52 WeakPolarHBondContact O-CB 3.36Å; Q37-I52 WeakPolarHBondContact O-CG1 3.43Å; Q37-I52 PolarHBondContact O-N 2.78Å; Q37-G54 PolarHBondContact NE2-O 3.13Å; Q37-S55 VanDerWaalsContact NE2-CA 3.29Å
38T91.4Very high90.5Very high16 Ų1655.5 Ų55.510%0.09829%0.287CS..EExtended strand (participates in β ladder)trans-95.5128.2173.8-570000110.5V34 E35 Y40 K49 F50 D51 I95V34-T38 VanDerWaalsContact CA-O 3.31Å; V34-T38 WeakPolarHBondContact CA-O 3.43Å; E35-T38 PolarHBondContact N-O 2.88Å; E35-T38 PolarHBondContact O-N 3.05Å; T38-Y40 HydrophobicContact CG2-CD2 4.15Å; T38-Y40 HydrophobicContact CG2-CE1 3.95Å; T38-Y40 HydrophobicContact CG2-CE2 3.51Å; T38-Y40 WeakPolarHBondContact O-CD2 3.47Å; T38-K49 HydrophobicContact CG2-CD 4.44Å; T38-K49 HydrophobicContact CG2-CG 3.78Å; T38-F50 WeakPolarHBondContact CA-O 3.46Å; T38-D51 PolarHBondContact OG1-OD1 3.13Å; T38-I95 HydrophobicContact CG2-CD1 3.46Å; T38-I95 VanDerWaalsContact CG2-CD1 3.46Å
39F93.5Very high90.8Very high0 Ų052.9 Ų52.90%026%0.261CS..EExtended strand (participates in β ladder)trans-88.2134.5170.9-179.4-89.3000110.6V18 I20 V32 V34 F41 L48 K49 F50 I52 I74 L76V18-F39 HydrophobicContact CB-CE2 4.46Å; V18-F39 HydrophobicContact CB-CZ 4.31Å; V18-F39 HydrophobicContact CG1-CE1 4.11Å; V18-F39 HydrophobicContact CG1-CZ 4.04Å; V18-F39 HydrophobicContact CG2-CD2 4.26Å; V18-F39 HydrophobicContact CG2-CE2 3.98Å; V18-F39 HydrophobicContact CG2-CZ 4.27Å; I20-F39 HydrophobicContact CD1-CE1 4.17Å; I20-F39 HydrophobicContact CD1-CZ 4.34Å; V32-F39 HydrophobicContact CG1-CE2 3.7Å; V32-F39 HydrophobicContact CG1-CZ 3.89Å; V34-F39 HydrophobicContact CG2-CD2 3.9Å; F39-F41 HydrophobicContact CD1-CB 4.45Å; F39-F41 HydrophobicContact CE1-CB 3.55Å; F39-F41 HydrophobicContact CZ-CB 4.11Å; F39-L48 HydrophobicContact CE1-CD2 4.27Å; F39-K49 WeakPolarHBondContact O-CA 3.34Å; F39-F50 HydrophobicContact CB-CD1 4.06Å; F39-F50 HydrophobicContact CB-CD2 4.27Å; F39-F50 HydrophobicContact CB-CE1 3.68Å; F39-F50 HydrophobicContact CB-CE2 3.88Å; F39-F50 HydrophobicContact CB-CG 4.33Å; F39-F50 HydrophobicContact CB-CZ 3.55Å; F39-F50 AromaticContact CD1-CD1 3.76Å; F39-F50 HydrophobicContact CD1-CD1 3.76Å; F39-F50 AromaticContact CD1-CE1 3.15Å; F39-F50 HydrophobicContact CD1-CE1 3.15Å; F39-F50 AromaticContact CD1-CZ 3.75Å; F39-F50 HydrophobicContact CD1-CZ 3.75Å; F39-F50 HydrophobicContact CD2-CZ 4.35Å; F39-F50 AromaticContact CE1-CE1 3.86Å; F39-F50 HydrophobicContact CE1-CE1 3.86Å; F39-F50 HydrophobicContact CG-CD1 4.26Å; F39-F50 AromaticContact CG-CE1 3.54Å; F39-F50 HydrophobicContact CG-CE1 3.54Å; F39-F50 HydrophobicContact CG-CE2 4.44Å; F39-F50 AromaticContact CG-CZ 3.63Å; F39-F50 HydrophobicContact CG-CZ 3.63Å; F39-F50 PolarHBondContact N-O 2.82Å; F39-F50 PolarHBondContact O-N 2.82Å; F39-F50 VanDerWaalsContact O-N 3.13Å; F39-I52 HydrophobicContact CB-CD1 4.1Å; F39-I52 HydrophobicContact CB-CG1 3.97Å; F39-I74 HydrophobicContact CE2-CD1 4.5Å; F39-I74 HydrophobicContact CE2-CG2 4.19Å; F39-I74 HydrophobicContact CZ-CD1 3.76Å; F39-I74 HydrophobicContact CZ-CG2 4.49Å; F39-L76 HydrophobicContact CD2-CD1 3.9Å; F39-L76 HydrophobicContact CE2-CD1 4.18Å
40Y93.2Very high91.1Very high54 Ų5448.3 Ų48.321%0.21224%0.24CC..EExtended strand (participates in β ladder)trans-122.3132175.5-60.1-89000109.9V32 C33 E35 T38 K49V32-Y40 WeakPolarHBondContact CA-O 3.35Å; C33-Y40 PolarHBondContact N-O 2.93Å; C33-Y40 PolarHBondContact O-N 3.05Å; E35-Y40 HydrophobicContact CB-CE2 4.11Å; E35-Y40 HydrophobicContact CG-CE2 4.27Å; T38-Y40 HydrophobicContact CG2-CD2 4.15Å; T38-Y40 HydrophobicContact CG2-CE1 3.95Å; T38-Y40 HydrophobicContact CG2-CE2 3.51Å; T38-Y40 WeakPolarHBondContact O-CD2 3.47Å; Y40-K49 HydrophobicContact CD1-CB 4.44Å; Y40-K49 HydrophobicContact CD1-CD 4.27Å; Y40-K49 HydrophobicContact CD1-CG 3.93Å; Y40-K49 HydrophobicContact CE1-CD 3.67Å; Y40-K49 HydrophobicContact CE1-CG 3.71Å
41F93.7Very high91.2Very high0 Ų050.1 Ų50.10%025%0.251CS..EExtended strand (participates in β ladder)trans-133.5123.9168.1164-85.9000108.9P5 I20 A22 M30 E31 V32 F39 Y47 L48 I72 I74P5-F41 HydrophobicContact CG-CD1 4.32Å; P5-F41 HydrophobicContact CG-CE1 4.26Å; I20-F41 HydrophobicContact CD1-CB 3.97Å; I20-F41 HydrophobicContact CD1-CD1 4.02Å; I20-F41 HydrophobicContact CD1-CD2 3.63Å; I20-F41 HydrophobicContact CD1-CE1 4.44Å; I20-F41 HydrophobicContact CD1-CE2 4.09Å; I20-F41 HydrophobicContact CD1-CG 3.6Å; I20-F41 HydrophobicContact CD1-CZ 4.48Å; I20-F41 HydrophobicContact CG2-CD1 4.49Å; I20-F41 HydrophobicContact CG2-CE1 4.13Å; I20-F41 HydrophobicContact CG2-CZ 4.28Å; A22-F41 HydrophobicContact CB-CZ 4.48Å; M30-F41 HydrophobicContact CE-CD2 4.29Å; M30-F41 HydrophobicContact CE-CE2 4.07Å; M30-F41 HydrophobicContact CG-CD2 4.43Å; M30-F41 HydrophobicContact CG-CE2 3.94Å; M30-F41 HydrophobicContact SD-CE2 4.05Å; E31-F41 WeakPolarHBondContact O-CA 3.18Å; V32-F41 HydrophobicContact CG2-CD2 4.02Å; F39-F41 HydrophobicContact CD1-CB 4.45Å; F39-F41 HydrophobicContact CE1-CB 3.55Å; F39-F41 HydrophobicContact CZ-CB 4.11Å; F41-Y47 WeakPolarHBondContact O-CA 3.16Å; F41-L48 HydrophobicContact CB-CB 4.16Å; F41-L48 HydrophobicContact CD1-CB 4.13Å; F41-L48 PolarHBondContact N-O 2.74Å; F41-L48 PolarHBondContact O-N 3.49Å; F41-I72 HydrophobicContact CE2-CD1 3.94Å; F41-I72 HydrophobicContact CZ-CD1 3.86Å; F41-I74 HydrophobicContact CD2-CD1 4.06Å
42D92.7Very high91.2Very high65 Ų6543.7 Ų43.735%0.34822%0.221SC..EExtended strand (participates in β ladder)trans-124124.7173.5-163.2-25.6000109.1M30 E31 Y47M30-D42 WeakPolarHBondContact CA-O 3.34Å; E31-D42 HydrophobicContact CB-CB 4.47Å; E31-D42 PolarHBondContact N-O 2.93Å; E31-D42 PolarHBondContact O-N 3.47Å; D42-Y47 HydrophobicContact CB-CD2 4.26Å
43S92.6Very high91.1Very high0 Ų045.7 Ų45.70%023%0.234CC..EExtended strand (participates in β ladder)trans-158.3100.9168.1-175.60000108.5A25 K26 Y46A25-S43 WeakPolarHBondContact CB-OG 3.43Å; K26-S43 PolarHBondContact N-OG 3.46Å; K26-S43 PolarHBondContact O-OG 2.95Å; S43-Y46 CarbonylContact C-O 3.52Å; S43-Y46 PolarHBondContact N-O 2.63Å; S43-Y46 WeakPolarHBondContact O-CA 3.48Å; S43-Y46 WeakPolarHBondContact O-CB 3.31Å; S43-Y46 PolarHBondContact O-N 2.8Å
44S89.4Confident91Very high56 Ų5643.6 Ų43.639%0.39222%0.222SC..THydrogen-bonded Turntrans-44.1129.4-175.1170.30000112.7K26K26-S44 PolarHBondContact N-O 2.87Å
45P92.1Very high90.9Very high34 Ų3445.7 Ų45.722%0.22124%0.238CC..THydrogen-bonded Turncis-89.510.47.337.2-37.6000114.7L3 M24L3-P45 HydrophobicContact CD1-CG 4.18Å; L3-P45 PolarHBondContact N-O 3.47Å; M24-P45 HydrophobicContact CB-CG 4.27Å; M24-P45 WeakPolarHBondContact O-CD 3.37Å
46Y93.4Very high90.9Very high21 Ų2140.5 Ų40.58%0.08221%0.214CC..EExtended strand (participates in β ladder)trans-93.5138.8-171.3-60.4-77.3000113.4L3 P5 A22 P23 M24 A25 S43L3-Y46 HydrophobicContact CB-CD1 3.86Å; L3-Y46 HydrophobicContact CB-CE1 4.08Å; L3-Y46 HydrophobicContact CD1-CE1 4.36Å; L3-Y46 CarbonylContact O-C 3.46Å; L3-Y46 WeakPolarHBondContact O-CA 3.17Å; P5-Y46 HydrophobicContact CB-CD1 3.64Å; P5-Y46 HydrophobicContact CB-CE1 4.22Å; P5-Y46 HydrophobicContact CB-CG 4.11Å; P5-Y46 HydrophobicContact CG-CD1 4.31Å; A22-Y46 HydrophobicContact CB-CD1 4.49Å; A22-Y46 HydrophobicContact CB-CD2 3.64Å; A22-Y46 HydrophobicContact CB-CE2 3.75Å; A22-Y46 HydrophobicContact CB-CG 4.02Å; P23-Y46 WeakPolarHBondContact CD-OH 3.48Å; M24-Y46 HydrophobicContact CB-CE2 3.79Å; A25-Y46 HydrophobicContact CB-CD2 4.06Å; A25-Y46 HydrophobicContact CB-CE2 4.38Å; S43-Y46 CarbonylContact C-O 3.52Å; S43-Y46 PolarHBondContact N-O 2.63Å; S43-Y46 WeakPolarHBondContact O-CA 3.48Å; S43-Y46 WeakPolarHBondContact O-CB 3.31Å; S43-Y46 PolarHBondContact O-N 2.8Å
47Y93.3Very high91Very high83 Ų8334.1 Ų34.133%0.32519%0.186SC..EExtended strand (participates in β ladder)trans-137.3128.3169.9-179.8-100.2000109.4L3 F41 D42 K49L3-Y47 PolarHBondContact O-N 3.01Å; F41-Y47 WeakPolarHBondContact O-CA 3.16Å; D42-Y47 HydrophobicContact CB-CD2 4.26Å; Y47-K49 HydrophobicContact CE1-CB 3.77Å
48L93.1Very high90.4Very high1 Ų135.7 Ų35.71%0.00520%0.198CC..EExtended strand (participates in β ladder)trans-129129.1177.9175.164.2000109.3T4 P5 F7 I20 F39 F41 F50 L94T4-L48 HydrophobicContact CG2-CD1 4.03Å; P5-L48 HydrophobicContact CG-CB 3.9Å; P5-L48 HydrophobicContact CG-CD2 4.42Å; F7-L48 HydrophobicContact CB-CD2 3.94Å; F7-L48 HydrophobicContact CD1-CD1 3.68Å; F7-L48 HydrophobicContact CD1-CD2 4.11Å; F7-L48 HydrophobicContact CD2-CD2 4.23Å; F7-L48 HydrophobicContact CE1-CD1 3.69Å; F7-L48 HydrophobicContact CG-CD1 4.21Å; F7-L48 HydrophobicContact CG-CD2 3.83Å; F7-L48 HydrophobicContact CZ-CD1 4.21Å; I20-L48 HydrophobicContact CD1-CD2 3.89Å; I20-L48 HydrophobicContact CG1-CD2 4.22Å; F39-L48 HydrophobicContact CE1-CD2 4.27Å; F41-L48 HydrophobicContact CB-CB 4.16Å; F41-L48 HydrophobicContact CD1-CB 4.13Å; F41-L48 PolarHBondContact N-O 2.74Å; F41-L48 PolarHBondContact O-N 3.49Å; L48-F50 HydrophobicContact CD1-CD1 4.08Å; L48-F50 HydrophobicContact CD2-CD1 4.01Å; L48-F50 HydrophobicContact CD2-CE1 4.01Å; L48-F50 HydrophobicContact CG-CD1 3.9Å; L48-F50 HydrophobicContact CG-CE1 4.36Å; L48-L94 HydrophobicContact CD1-CD2 3.63Å
49K93.4Very high89.5Confident60 Ų6040.2 Ų40.226%0.26122%0.222SC..EExtended strand (participates in β ladder)trans-137.9122.3175.9-176.5-172.7178176.80109.2T38 F39 Y40 Y47 I95T38-K49 HydrophobicContact CG2-CD 4.44Å; T38-K49 HydrophobicContact CG2-CG 3.78Å; F39-K49 WeakPolarHBondContact O-CA 3.34Å; Y40-K49 HydrophobicContact CD1-CB 4.44Å; Y40-K49 HydrophobicContact CD1-CD 4.27Å; Y40-K49 HydrophobicContact CD1-CG 3.93Å; Y40-K49 HydrophobicContact CE1-CD 3.67Å; Y40-K49 HydrophobicContact CE1-CG 3.71Å; Y47-K49 HydrophobicContact CE1-CB 3.77Å; K49-I95 HydrophobicContact CD-CB 4.11Å; K49-I95 HydrophobicContact CD-CD1 4.42Å; K49-I95 HydrophobicContact CD-CG2 4.17Å; K49-I95 HydrophobicContact CG-CB 4.16Å; K49-I95 HydrophobicContact CG-CD1 4.16Å; K49-I95 PolarHBondContact O-N 2.91Å
50F93.3Very high87.9Confident0 Ų049 Ų490%026%0.263CS..EExtended strand (participates in β ladder)trans-150.1154.7178.472.7-98.6000112.3F7 L9 V18 T38 F39 L48 I52 L93 L94F7-F50 HydrophobicContact CD2-CD1 4.47Å; F7-F50 HydrophobicContact CD2-CE1 4.33Å; F7-F50 HydrophobicContact CE2-CD1 4.03Å; F7-F50 HydrophobicContact CE2-CE1 4.22Å; F7-F50 HydrophobicContact CE2-CG 4.35Å; F7-F50 HydrophobicContact CZ-CD1 4.43Å; L9-F50 HydrophobicContact CD1-CE2 3.96Å; L9-F50 HydrophobicContact CD1-CZ 4.35Å; L9-F50 HydrophobicContact CD2-CE1 4.44Å; L9-F50 HydrophobicContact CD2-CE2 4.17Å; L9-F50 HydrophobicContact CD2-CZ 3.72Å; V18-F50 HydrophobicContact CG1-CE1 4.04Å; V18-F50 HydrophobicContact CG1-CZ 4.15Å; V18-F50 HydrophobicContact CG2-CZ 4.1Å; T38-F50 WeakPolarHBondContact CA-O 3.46Å; F39-F50 HydrophobicContact CB-CD1 4.06Å; F39-F50 HydrophobicContact CB-CD2 4.27Å; F39-F50 HydrophobicContact CB-CE1 3.68Å; F39-F50 HydrophobicContact CB-CE2 3.88Å; F39-F50 HydrophobicContact CB-CG 4.33Å; F39-F50 HydrophobicContact CB-CZ 3.55Å; F39-F50 AromaticContact CD1-CD1 3.76Å; F39-F50 HydrophobicContact CD1-CD1 3.76Å; F39-F50 AromaticContact CD1-CE1 3.15Å; F39-F50 HydrophobicContact CD1-CE1 3.15Å; F39-F50 AromaticContact CD1-CZ 3.75Å; F39-F50 HydrophobicContact CD1-CZ 3.75Å; F39-F50 HydrophobicContact CD2-CZ 4.35Å; F39-F50 AromaticContact CE1-CE1 3.86Å; F39-F50 HydrophobicContact CE1-CE1 3.86Å; F39-F50 HydrophobicContact CG-CD1 4.26Å; F39-F50 AromaticContact CG-CE1 3.54Å; F39-F50 HydrophobicContact CG-CE1 3.54Å; F39-F50 HydrophobicContact CG-CE2 4.44Å; F39-F50 AromaticContact CG-CZ 3.63Å; F39-F50 HydrophobicContact CG-CZ 3.63Å; F39-F50 PolarHBondContact N-O 2.82Å; F39-F50 PolarHBondContact O-N 2.82Å; F39-F50 VanDerWaalsContact O-N 3.13Å; L48-F50 HydrophobicContact CD1-CD1 4.08Å; L48-F50 HydrophobicContact CD2-CD1 4.01Å; L48-F50 HydrophobicContact CD2-CE1 4.01Å; L48-F50 HydrophobicContact CG-CD1 3.9Å; L48-F50 HydrophobicContact CG-CE1 4.36Å; F50-I52 HydrophobicContact CE2-CG1 3.95Å; F50-L93 CarbonylContact C-O 3.43Å; F50-L93 WeakPolarHBondContact CA-O 3.36Å; F50-L93 HydrophobicContact CB-CB 4.19Å; F50-L93 WeakPolarHBondContact CB-O 3.21Å; F50-L93 HydrophobicContact CD2-CB 4.45Å; F50-L94 HydrophobicContact CB-CD2 4.43Å
51D91.6Very high86.3Confident73 Ų7354.2 Ų54.239%0.3930%0.295SS..EExtended strand (participates in β ladder)trans-83.3127.6173.3-82.9-35.9000111.1T38 P53 L93 I95T38-D51 PolarHBondContact OG1-OD1 3.13Å; D51-P53 WeakPolarHBondContact O-CD 3.46Å; D51-L93 PolarHBondContact N-O 3.21Å; D51-L93 WeakPolarHBondContact O-CD2 3.41Å; D51-I95 HydrophobicContact CB-CD1 4.29Å; D51-I95 HydrophobicContact CB-CG1 4.44Å; D51-I95 VanDerWaalsContact CG-CD1 3.42Å; D51-I95 VanDerWaalsContact OD1-CD1 3.28Å; D51-I95 WeakPolarHBondContact OD1-CD1 3.34Å
52I90.9Very high85.1Confident6 Ų655.9 Ų55.93%0.03131%0.305CS..  trans-77122.9175.4-52.6172.9000108.2L16 V34 Q37 F39 F50 G54 V56 L76 F84L16-I52 HydrophobicContact CD2-CG2 3.57Å; V34-I52 HydrophobicContact CG1-CD1 3.65Å; V34-I52 HydrophobicContact CG2-CD1 4.26Å; Q37-I52 PolarHBondContact NE2-O 2.85Å; Q37-I52 WeakPolarHBondContact O-CB 3.36Å; Q37-I52 WeakPolarHBondContact O-CG1 3.43Å; Q37-I52 PolarHBondContact O-N 2.78Å; F39-I52 HydrophobicContact CB-CD1 4.1Å; F39-I52 HydrophobicContact CB-CG1 3.97Å; F50-I52 HydrophobicContact CE2-CG1 3.95Å; I52-G54 WeakPolarHBondContact CG2-O 3.31Å; I52-G54 PolarHBondContact O-N 3.31Å; I52-V56 HydrophobicContact CD1-CG1 4.37Å; I52-V56 HydrophobicContact CD1-CG2 3.59Å; I52-V56 HydrophobicContact CG2-CG1 4.16Å; I52-L76 HydrophobicContact CD1-CD1 4.18Å; I52-F84 HydrophobicContact CG2-CD2 4.34Å; I52-F84 HydrophobicContact CG2-CE2 4.05Å
53P87.3Confident84.5Confident60 Ų6055.9 Ų55.939%0.3930%0.302SS..SBendtrans-64.2-6.2-176.6-26.437000116.1D51 F84 L87 L93D51-P53 WeakPolarHBondContact O-CD 3.46Å; P53-F84 HydrophobicContact CB-CB 4.42Å; P53-L87 HydrophobicContact CG-CD2 4.12Å; P53-L93 HydrophobicContact CG-CD2 3.35Å
54G87.3Confident84.2Confident13 Ų1361 Ų6113%0.13433%0.329CS..SBendtrans-157.7162.2-179.400000112.4Q37 I52 V56 F84Q37-G54 PolarHBondContact NE2-O 3.13Å; I52-G54 WeakPolarHBondContact CG2-O 3.31Å; I52-G54 PolarHBondContact O-N 3.31Å; G54-V56 PolarHBondContact O-N 3.18Å; G54-F84 WeakPolarHBondContact O-CE2 3.29Å
55S88.1Confident84.2Confident66 Ų6664.4 Ų64.446%0.46233%0.334SS..  trans-71.3129-168.6-53.30000113.7Q37 S79 F84Q37-S55 VanDerWaalsContact NE2-CA 3.29Å; S55-S79 WeakPolarHBondContact CB-OG 3.27Å; S55-S79 PolarHBondContact O-N 2.7Å; S55-S79 PolarHBondContact O-OG 2.9Å; S55-F84 WeakPolarHBondContact O-CZ 3.36Å
56V88.1Confident84.2Confident4 Ų466.8 Ų66.82%0.02434%0.343CS..BIsolated β-bridgetrans-113.7157.5173-62.60000110.3L16 V34 I52 G54 L76 E77 S79 F84L16-V56 HydrophobicContact CD2-CG1 4.31Å; V34-V56 HydrophobicContact CG1-CG2 3.67Å; I52-V56 HydrophobicContact CD1-CG1 4.37Å; I52-V56 HydrophobicContact CD1-CG2 3.59Å; I52-V56 HydrophobicContact CG2-CG1 4.16Å; G54-V56 PolarHBondContact O-N 3.18Å; V56-L76 HydrophobicContact CG1-CB 4.29Å; V56-E77 CarbonylContact C-O 3.54Å; V56-E77 VanDerWaalsContact CA-O 3.28Å; V56-E77 WeakPolarHBondContact CA-O 3.35Å; V56-E77 WeakPolarHBondContact CB-O 3.28Å; V56-S79 WeakPolarHBondContact CA-OG 3.34Å; V56-S79 PolarHBondContact N-OG 2.89Å; V56-S79 PolarHBondContact O-OG 2.97Å; V56-F84 HydrophobicContact CG1-CE2 4.14Å; V56-F84 HydrophobicContact CG1-CZ 4.45Å
57L84.1Confident84Confident58 Ų5870.1 Ų70.130%0.30436%0.358SS..  trans-67.2137.6171.3-61.7179.9000108.8T62 E77L57-T62 HydrophobicContact CB-CG2 4.37Å; L57-T62 PolarHBondContact O-OG1 3.2Å; L57-E77 HydrophobicContact CB-CB 4.48Å; L57-E77 HydrophobicContact CD1-CB 3.84Å; L57-E77 HydrophobicContact CG-CB 4.29Å; L57-E77 PolarHBondContact N-O 2.98Å
58T76.4Confident83.8Confident79 Ų7969.5 Ų69.549%0.48536%0.359SS..  trans-114.79.5-175.256.10000112.6V34 E60V34-T58 HydrophobicContact CG1-CG2 4.26Å; T58-E60 PolarHBondContact O-N 3.31Å
59D72.6Confident83.5Confident111 Ų11177.3 Ų77.359%0.59440%0.401SS*.  trans-67136.2178.4-59.7-34.1000108.6D61 T62D59-D61 PolarHBondContact O-N 3.05Å; D59-T62 HydrophobicContact CB-CG2 3.77Å; D59-T62 PolarHBondContact N-OG1 2.91Å; D59-T62 WeakPolarHBondContact O-CB 3.33Å; D59-T62 PolarHBondContact O-N 2.95Å; D59-T62 PolarHBondContact O-OG1 3.43Å
60E58.6Low83.2Confident186 Ų18677.1 Ų77.187%0.86942%0.416SS*.THydrogen-bonded Turntrans-55-19.3-166.3-64.6-178.4165.400114.9T58T58-E60 PolarHBondContact O-N 3.31Å
61D59.9Low83.1Confident163 Ų16378.7 Ų78.787%0.87242%0.424SS*.THydrogen-bonded Turntrans-104.514.4-179.6-65.8-43.8000114.3D59D59-D61 PolarHBondContact O-N 3.05Å
62T68.6Low83.3Confident35 Ų3575.4 Ų75.422%0.21541%0.407CS..  trans-98.716.8-169.354.50000116.3L57 D59L57-T62 HydrophobicContact CB-CG2 4.37Å; L57-T62 PolarHBondContact O-OG1 3.2Å; D59-T62 HydrophobicContact CB-CG2 3.77Å; D59-T62 PolarHBondContact N-OG1 2.91Å; D59-T62 WeakPolarHBondContact O-CB 3.33Å; D59-T62 PolarHBondContact O-N 2.95Å; D59-T62 PolarHBondContact O-OG1 3.43Å
63F81.2Confident83.4Confident65 Ų6575.9 Ų75.929%0.28541%0.409SS..EExtended strand (participates in β ladder)trans-122.5135.6171.175-89.9000112.7V32 Y65 I74 T75 L76V32-F63 HydrophobicContact CB-CE1 4.47Å; V32-F63 HydrophobicContact CB-CE2 3.97Å; V32-F63 HydrophobicContact CB-CZ 3.93Å; V32-F63 HydrophobicContact CG1-CD2 4.42Å; V32-F63 HydrophobicContact CG1-CE2 4.33Å; V32-F63 HydrophobicContact CG1-CZ 4.43Å; V32-F63 HydrophobicContact CG2-CE2 4.46Å; F63-Y65 HydrophobicContact CD2-CD1 4.45Å; F63-Y65 HydrophobicContact CE2-CD1 4.06Å; F63-I74 HydrophobicContact CB-CG2 4.39Å; F63-I74 HydrophobicContact CD2-CG2 4.24Å; F63-T75 VanDerWaalsContact CA-O 3.31Å; F63-T75 WeakPolarHBondContact CA-O 3.36Å; F63-L76 HydrophobicContact CB-CD2 3.71Å
64D85.1Confident83.7Confident107 Ų10773 Ų7357%0.57239%0.39SS*.EExtended strand (participates in β ladder)trans-102.7145.1168.8-67.5-51.9000108.6I74 T75D64-I74 CarbonylContact O-C 3.43Å; D64-I74 WeakPolarHBondContact O-CA 3.46Å; D64-T75 PolarHBondContact N-O 3Å; D64-T75 PolarHBondContact O-N 2.82Å
65Y90Very high84.1Confident128 Ų12873.4 Ų73.450%0.50239%0.39SS..EExtended strand (participates in β ladder)trans-130.2145.4168.571.2-88000112.6M30 F63 F67 H73M30-Y65 HydrophobicContact CE-CG 4.32Å; F63-Y65 HydrophobicContact CD2-CD1 4.45Å; F63-Y65 HydrophobicContact CE2-CD1 4.06Å; Y65-F67 AromaticContact CD2-CE2 3.91Å; Y65-F67 HydrophobicContact CD2-CE2 3.91Å; Y65-F67 HydrophobicContact CD2-CZ 4.25Å; Y65-F67 AromaticContact CE2-CE2 3.71Å; Y65-F67 HydrophobicContact CE2-CE2 3.71Å; Y65-F67 HydrophobicContact CE2-CZ 4.21Å; Y65-H73 CarbonylContact C-O 3.55Å; Y65-H73 WeakPolarHBondContact CA-O 3.28Å
66E91.7Very high84.2Confident84 Ų8470.5 Ų70.539%0.39337%0.369SS..EExtended strand (participates in β ladder)trans-137.1149.5177.962.5-173174.100110.3K17 I68 H73K17-E66 WeakPolarHBondContact CE-OE1 3.36Å; K17-E66 IonicContact NZ-OE1 2.7Å; K17-E66 PolarHBondContact NZ-OE1 2.76Å; E66-I68 HydrophobicContact CG-CD1 3.75Å; E66-I68 HydrophobicContact CG-CG1 4.01Å; E66-I68 VanDerWaalsContact OE1-CD1 3.28Å; E66-I68 WeakPolarHBondContact OE1-CD1 3.33Å; E66-H73 HydrophobicContact CG-CB 3.51Å; E66-H73 PolarHBondContact N-O 3.48Å; E66-H73 WeakPolarHBondContact O-CB 3.45Å; E66-H73 PolarHBondContact O-N 2.92Å
67F89.3Confident84.4Confident91 Ų9174.1 Ų74.140%0.39939%0.386SS..EExtended strand (participates in β ladder)trans-102.2115.3173.4-66.1-81.6000108.9I27 Y65 D71 I72I27-F67 HydrophobicContact CB-CZ 4.04Å; I27-F67 HydrophobicContact CD1-CD1 4Å; I27-F67 HydrophobicContact CD1-CE1 3.41Å; I27-F67 VanDerWaalsContact CD1-CE1 3.41Å; I27-F67 HydrophobicContact CD1-CE2 4.09Å; I27-F67 HydrophobicContact CD1-CZ 3.51Å; I27-F67 HydrophobicContact CG1-CE1 3.59Å; I27-F67 HydrophobicContact CG1-CE2 4.44Å; I27-F67 HydrophobicContact CG1-CZ 3.53Å; I27-F67 HydrophobicContact CG2-CE1 4.31Å; I27-F67 HydrophobicContact CG2-CE2 3.75Å; I27-F67 HydrophobicContact CG2-CZ 3.35Å; Y65-F67 AromaticContact CD2-CE2 3.91Å; Y65-F67 HydrophobicContact CD2-CE2 3.91Å; Y65-F67 HydrophobicContact CD2-CZ 4.25Å; Y65-F67 AromaticContact CE2-CE2 3.71Å; Y65-F67 HydrophobicContact CE2-CE2 3.71Å; Y65-F67 HydrophobicContact CE2-CZ 4.21Å; F67-D71 WeakPolarHBondContact CA-O 3.47Å; F67-I72 HydrophobicContact CD1-CG1 4.08Å; F67-I72 HydrophobicContact CE1-CB 4.29Å; F67-I72 HydrophobicContact CE1-CD1 3.96Å; F67-I72 HydrophobicContact CE1-CG1 3.67Å; F67-I72 HydrophobicContact CE1-CG2 4.06Å; F67-I72 HydrophobicContact CZ-CG2 4.47Å
68I89.4Confident84.7Confident70 Ų7072 Ų7236%0.35937%0.374SS..EExtended strand (participates in β ladder)trans-128.8124.7-179.6-60.5175000107.5E66 G70 D71E66-I68 HydrophobicContact CG-CD1 3.75Å; E66-I68 HydrophobicContact CG-CG1 4.01Å; E66-I68 VanDerWaalsContact OE1-CD1 3.28Å; E66-I68 WeakPolarHBondContact OE1-CD1 3.33Å; I68-G70 PolarHBondContact O-N 2.9Å; I68-D71 PolarHBondContact N-O 3.19Å; I68-D71 PolarHBondContact O-N 2.95Å
69D86.7Confident85.4Confident164 Ų16470.7 Ų70.788%0.87737%0.368SS*.THydrogen-bonded Turntrans5232.6173.5-156.329.8000115.2D71D69-D71 VanDerWaalsContact C-N 3.31Å
70G86.1Confident86.1Confident56 Ų5673.2 Ų73.258%0.57737%0.374SS*.THydrogen-bonded Turntrans85.2-2.4-178.200000115.2I68I68-G70 PolarHBondContact O-N 2.9Å
71D92.8Very high87.5Confident34 Ų3468.9 Ų68.918%0.18236%0.362CS..EExtended strand (participates in β ladder)trans-100.2149175.7-71.2-12.6000111.8I19 H21 F67 I68 D69I19-D71 HydrophobicContact CG2-CB 4Å; H21-D71 WeakPolarHBondContact CA-OD1 3.2Å; H21-D71 WeakPolarHBondContact CB-OD1 3.44Å; H21-D71 IonicContact CE1-OD1 2.69Å; H21-D71 IonicContact CG-OD1 2.98Å; H21-D71 IonicContact ND1-OD1 2.56Å; H21-D71 PolarHBondContact ND1-OD1 3.16Å; F67-D71 WeakPolarHBondContact CA-O 3.47Å; I68-D71 PolarHBondContact N-O 3.19Å; I68-D71 PolarHBondContact O-N 2.95Å; D69-D71 VanDerWaalsContact C-N 3.31Å
72I94.2Very high88.7Confident4 Ų462.2 Ų62.22%0.02133%0.332CS..EExtended strand (participates in β ladder)trans-94.9114.9174.9-42.8-173.1000107.8I19 I20 A22 A25 M30 F41 F67 I74I19-I72 WeakPolarHBondContact CA-O 3.39Å; I20-I72 HydrophobicContact CB-CB 4.36Å; I20-I72 PolarHBondContact N-O 3.18Å; I20-I72 PolarHBondContact O-N 2.62Å; A22-I72 HydrophobicContact CB-CD1 4.42Å; A25-I72 HydrophobicContact CB-CD1 4.3Å; M30-I72 HydrophobicContact CE-CG2 3.75Å; M30-I72 HydrophobicContact SD-CD1 4.31Å; M30-I72 HydrophobicContact SD-CG2 3.99Å; F41-I72 HydrophobicContact CE2-CD1 3.94Å; F41-I72 HydrophobicContact CZ-CD1 3.86Å; F67-I72 HydrophobicContact CD1-CG1 4.08Å; F67-I72 HydrophobicContact CE1-CB 4.29Å; F67-I72 HydrophobicContact CE1-CD1 3.96Å; F67-I72 HydrophobicContact CE1-CG1 3.67Å; F67-I72 HydrophobicContact CE1-CG2 4.06Å; F67-I72 HydrophobicContact CZ-CG2 4.47Å; I72-I74 HydrophobicContact CG2-CD1 4.39Å; I72-I74 HydrophobicContact CG2-CG1 4.15Å
73H94.6Very high89.6Confident16 Ų1666.2 Ų66.27%0.07435%0.351CS..EExtended strand (participates in β ladder)trans-104.5108.2-179.5-78-109.6000109.2K17 Y65 E66K17-H73 VanDerWaalsContact CE-ND1 3.27Å; K17-H73 WeakPolarHBondContact CE-ND1 3.42Å; K17-H73 PolarHBondContact NZ-ND1 3.38Å; Y65-H73 CarbonylContact C-O 3.55Å; Y65-H73 WeakPolarHBondContact CA-O 3.28Å; E66-H73 HydrophobicContact CG-CB 3.51Å; E66-H73 PolarHBondContact N-O 3.48Å; E66-H73 WeakPolarHBondContact O-CB 3.45Å; E66-H73 PolarHBondContact O-N 2.92Å
74I93.7Very high90Very high0 Ų064.4 Ų64.40%034%0.343CS..EExtended strand (participates in β ladder)trans-104.9125.3179-60.4161.9000108.1K17 V18 I20 M30 V32 F39 F41 F63 D64 I72 L76K17-I74 CarbonylContact C-O 3.57Å; K17-I74 WeakPolarHBondContact CA-O 3.33Å; V18-I74 HydrophobicContact CB-CB 4.28Å; V18-I74 PolarHBondContact N-O 2.89Å; V18-I74 PolarHBondContact O-N 3.28Å; I20-I74 HydrophobicContact CD1-CD1 3.83Å; M30-I74 HydrophobicContact CE-CD1 3.77Å; M30-I74 HydrophobicContact CE-CG1 3.99Å; V32-I74 HydrophobicContact CG1-CD1 4.31Å; V32-I74 HydrophobicContact CG1-CG2 4.18Å; V32-I74 HydrophobicContact CG2-CD1 3.67Å; F39-I74 HydrophobicContact CE2-CD1 4.5Å; F39-I74 HydrophobicContact CE2-CG2 4.19Å; F39-I74 HydrophobicContact CZ-CD1 3.76Å; F39-I74 HydrophobicContact CZ-CG2 4.49Å; F41-I74 HydrophobicContact CD2-CD1 4.06Å; F63-I74 HydrophobicContact CB-CG2 4.39Å; F63-I74 HydrophobicContact CD2-CG2 4.24Å; D64-I74 CarbonylContact O-C 3.43Å; D64-I74 WeakPolarHBondContact O-CA 3.46Å; I72-I74 HydrophobicContact CG2-CD1 4.39Å; I72-I74 HydrophobicContact CG2-CG1 4.15Å; I74-L76 HydrophobicContact CG2-CD2 4.22Å
75T93.7Very high90.2Very high21 Ų2166 Ų6613%0.12935%0.345CS..EExtended strand (participates in β ladder)trans-110.3121.8-177.3-55.60000109.9K15 F63 D64K15-T75 HydrophobicContact CB-CG2 4.09Å; K15-T75 HydrophobicContact CD-CG2 3.71Å; K15-T75 HydrophobicContact CG-CG2 4.35Å; F63-T75 VanDerWaalsContact CA-O 3.31Å; F63-T75 WeakPolarHBondContact CA-O 3.36Å; D64-T75 PolarHBondContact N-O 3Å; D64-T75 PolarHBondContact O-N 2.82Å
76L92Very high90.2Very high5 Ų561 Ų613%0.02633%0.327CS..EExtended strand (participates in β ladder)trans-111.1139.6179-55.5173.9000109.9K15 L16 V18 V34 F39 I52 V56 F63 I74K15-L76 CarbonylContact C-O 3.54Å; K15-L76 VanDerWaalsContact CA-O 3.29Å; K15-L76 WeakPolarHBondContact CA-O 3.28Å; L16-L76 HydrophobicContact CB-CB 4.44Å; L16-L76 HydrophobicContact CD2-CD1 4.37Å; L16-L76 PolarHBondContact N-O 3.14Å; L16-L76 PolarHBondContact O-N 3.41Å; V18-L76 HydrophobicContact CG2-CD1 4.08Å; V34-L76 HydrophobicContact CG2-CD1 4.16Å; V34-L76 HydrophobicContact CG2-CD2 4.15Å; F39-L76 HydrophobicContact CD2-CD1 3.9Å; F39-L76 HydrophobicContact CE2-CD1 4.18Å; I52-L76 HydrophobicContact CD1-CD1 4.18Å; V56-L76 HydrophobicContact CG1-CB 4.29Å; F63-L76 HydrophobicContact CB-CD2 3.71Å; I74-L76 HydrophobicContact CG2-CD2 4.22Å
77E91.3Very high90.1Very high79 Ų7957.7 Ų57.737%0.36931%0.312SS..EExtended strand (participates in β ladder)trans-85.6135.2173.8-62.7-157.8152.700111.6K15 V56 L57K15-E77 IonicContact NZ-OE1 3.09Å; V56-E77 CarbonylContact C-O 3.54Å; V56-E77 VanDerWaalsContact CA-O 3.28Å; V56-E77 WeakPolarHBondContact CA-O 3.35Å; V56-E77 WeakPolarHBondContact CB-O 3.28Å; L57-E77 HydrophobicContact CB-CB 4.48Å; L57-E77 HydrophobicContact CD1-CB 3.84Å; L57-E77 HydrophobicContact CG-CB 4.29Å; L57-E77 PolarHBondContact N-O 2.98Å
78K91.6Very high90Very high14 Ų1455.1 Ų55.16%0.06130%0.302CS..BIsolated β-bridgetrans-78.1139.2178.4-63177.2172176.20110.4D12 K14 K15 K80 G82 F84D12-K78 PolarHBondContact O-NZ 3.38Å; K14-K78 VanDerWaalsContact O-CB 3.3Å; K14-K78 WeakPolarHBondContact O-CB 3.4Å; K14-K78 WeakPolarHBondContact O-CG 3.49Å; K14-K78 PolarHBondContact O-N 2.87Å; K15-K78 WeakPolarHBondContact O-CE 3.34Å; K78-K80 PolarHBondContact O-N 3.39Å; K78-G82 PolarHBondContact NZ-O 3.46Å; K78-F84 HydrophobicContact CB-CZ 4.24Å; K78-F84 HydrophobicContact CD-CE1 4.09Å; K78-F84 HydrophobicContact CD-CE2 4.37Å; K78-F84 HydrophobicContact CD-CZ 3.9Å; K78-F84 HydrophobicContact CG-CE1 4.35Å; K78-F84 HydrophobicContact CG-CE2 4.14Å; K78-F84 HydrophobicContact CG-CZ 3.71Å
79S89.6Confident90Very high51 Ų5151.8 Ų51.836%0.35729%0.285SS..SBendtrans-67.1-27.7176-36.60000112.6S55 V56S55-S79 WeakPolarHBondContact CB-OG 3.27Å; S55-S79 PolarHBondContact O-N 2.7Å; S55-S79 PolarHBondContact O-OG 2.9Å; V56-S79 WeakPolarHBondContact CA-OG 3.34Å; V56-S79 PolarHBondContact N-OG 2.89Å; V56-S79 PolarHBondContact O-OG 2.97Å
80K87.2Confident90.1Very high165 Ų16544.3 Ų44.372%0.71725%0.245SC*.SBendtrans-136.3136.1175.1-67.4-179.3-176.7173.10109.2K78K78-K80 PolarHBondContact O-N 3.39Å
81P87.7Confident90.1Very high94 Ų9442.2 Ų42.261%0.6122%0.221SC*.SBendtrans-57.1143.2171.5-23.433.3000111.7D13D13-P81 CarbonylContact O-C 3.36Å; D13-P81 VanDerWaalsContact O-CA 3.25Å; D13-P81 WeakPolarHBondContact O-CA 3.4Å
82G86.6Confident89.8Confident24 Ų2445.6 Ų45.625%0.24724%0.235CC..SBendtrans143.3171.2178.400000113.6D13 K78D13-G82 PolarHBondContact O-N 3.18Å; D13-G82 PolarHBondContact OD1-N 2.97Å; K78-G82 PolarHBondContact NZ-O 3.46Å
83L86.6Confident89.5Confident119 Ų11945.7 Ų45.762%0.62324%0.235SC*.PPolyproline II helixtrans-96.5125.2-177.6-62.9174.5000111.3Q11Q11-L83 HydrophobicContact CG-CD2 4.19Å
84F90.7Very high89.2Confident26 Ų2645.9 Ų45.911%0.11424%0.236CC..PPolyproline II helixtrans-76142.6170.5-62.9-9.3000109.4Q11 L16 I52 P53 G54 S55 V56 K78 L87Q11-F84 PolarHBondContact NE2-O 2.97Å; L16-F84 HydrophobicContact CD1-CD2 4.23Å; L16-F84 HydrophobicContact CD2-CD2 4.27Å; L16-F84 HydrophobicContact CD2-CE2 4.16Å; I52-F84 HydrophobicContact CG2-CD2 4.34Å; I52-F84 HydrophobicContact CG2-CE2 4.05Å; P53-F84 HydrophobicContact CB-CB 4.42Å; G54-F84 WeakPolarHBondContact O-CE2 3.29Å; S55-F84 WeakPolarHBondContact O-CZ 3.36Å; V56-F84 HydrophobicContact CG1-CE2 4.14Å; V56-F84 HydrophobicContact CG1-CZ 4.45Å; K78-F84 HydrophobicContact CB-CZ 4.24Å; K78-F84 HydrophobicContact CD-CE1 4.09Å; K78-F84 HydrophobicContact CD-CE2 4.37Å; K78-F84 HydrophobicContact CD-CZ 3.9Å; K78-F84 HydrophobicContact CG-CE1 4.35Å; K78-F84 HydrophobicContact CG-CE2 4.14Å; K78-F84 HydrophobicContact CG-CZ 3.71Å; F84-L87 HydrophobicContact CB-CD2 3.87Å; F84-L87 HydrophobicContact CB-CG 4.43Å
85K88.7Confident88.6Confident142 Ų14247.3 Ų47.362%0.61724%0.244SC*.SBendtrans-91.6161.1179.1-67.4-169.6172.4-164.30111.1L87K85-L87 VanDerWaalsContact C-N 3.25Å; K85-L87 PolarHBondContact O-N 3.45Å
86D89.6Confident87.3Confident22 Ų2247.6 Ų47.612%0.11825%0.246CC..  trans59.628.4168.2-60.6-17.6000115.5D88 L89 K92 Q343D86-D88 PolarHBondContact O-N 3.25Å; D86-D88 VanDerWaalsContact O-N 3.1Å; D86-L89 HydrophobicContact CB-CB 4.26Å; D86-L89 HydrophobicContact CB-CD1 3.67Å; D86-L89 HydrophobicContact CB-CG 3.84Å; D86-L89 VanDerWaalsContact CG-CD1 3.49Å; D86-L89 PolarHBondContact O-N 2.81Å; D86-L89 VanDerWaalsContact O-N 3.07Å; D86-K92 HydrophobicContact CB-CD 4.43Å; D86-K92 IonicContact OD2-NZ 2.63Å; D86-K92 PolarHBondContact OD2-NZ 3.33Å; D86-Q343 PolarHBondContact OD1-NE2 3.48Å
87L89.1Confident85.6Confident14 Ų1453.1 Ų53.17%0.07328%0.282CS..THydrogen-bonded Turntrans-59-22.8178.5-68.7-164.8000114L9 Q11 L16 P53 F84 K85 L93L9-L87 HydrophobicContact CB-CB 4.06Å; L9-L87 HydrophobicContact CB-CD1 4.13Å; L9-L87 HydrophobicContact CB-CD2 4.25Å; L9-L87 HydrophobicContact CB-CG 4.38Å; L9-L87 HydrophobicContact CD1-CD2 3.9Å; Q11-L87 HydrophobicContact CB-CD1 4.04Å; Q11-L87 VanDerWaalsContact CD-CD1 3.43Å; Q11-L87 HydrophobicContact CG-CD1 3.69Å; L16-L87 HydrophobicContact CD1-CD1 4.08Å; L16-L87 HydrophobicContact CD1-CD2 4.21Å; P53-L87 HydrophobicContact CG-CD2 4.12Å; F84-L87 HydrophobicContact CB-CD2 3.87Å; F84-L87 HydrophobicContact CB-CG 4.43Å; K85-L87 VanDerWaalsContact C-N 3.25Å; K85-L87 PolarHBondContact O-N 3.45Å; L87-L93 WeakPolarHBondContact O-CD1 3.21Å
88D88.5Confident83.6Confident37 Ų3753 Ų5320%0.19829%0.29CS..THydrogen-bonded Turntrans-95.7-6.2-179.7-55.7-52.5000113.7D86 I90 S224 F227 Q343D86-D88 PolarHBondContact O-N 3.25Å; D86-D88 VanDerWaalsContact O-N 3.1Å; D88-I90 VanDerWaalsContact C-N 3.25Å; D88-I90 PolarHBondContact O-N 2.91Å; D88-S224 PolarHBondContact OD2-OG 2.96Å; D88-F227 HydrophobicContact CB-CD2 3.99Å; D88-F227 HydrophobicContact CB-CE2 3.6Å; D88-Q343 HydrophobicContact CB-CG 4.34Å
89L89.8Confident81.1Confident0 Ų059.1 Ų59.10%032%0.318CS..  trans-83.469.5179.7-55.1-170.7000110D86 T91 K92 L93 K342 Q343 L346 Q378D86-L89 HydrophobicContact CB-CB 4.26Å; D86-L89 HydrophobicContact CB-CD1 3.67Å; D86-L89 HydrophobicContact CB-CG 3.84Å; D86-L89 VanDerWaalsContact CG-CD1 3.49Å; D86-L89 PolarHBondContact O-N 2.81Å; D86-L89 VanDerWaalsContact O-N 3.07Å; L89-T91 VanDerWaalsContact C-N 3.28Å; L89-T91 PolarHBondContact O-N 3.19Å; L89-T91 VanDerWaalsContact O-N 3.17Å; L89-K92 HydrophobicContact CB-CB 3.94Å; L89-K92 HydrophobicContact CB-CD 4.48Å; L89-K92 HydrophobicContact CD1-CD 4.2Å; L89-K92 WeakPolarHBondContact O-CA 3.37Å; L89-K92 VanDerWaalsContact O-CB 3.29Å; L89-K92 WeakPolarHBondContact O-CB 3.41Å; L89-K92 PolarHBondContact O-N 3.1Å; L89-L93 PolarHBondContact O-N 3.45Å; L89-L93 VanDerWaalsContact O-N 3.16Å; L89-K342 HydrophobicContact CD1-CB 4.44Å; L89-K342 HydrophobicContact CD1-CD 4.28Å; L89-K342 HydrophobicContact CD2-CB 4.49Å; L89-Q343 HydrophobicContact CD2-CG 4.13Å; L89-L346 HydrophobicContact CD2-CD2 4Å; L89-Q378 HydrophobicContact CB-CB 4.35Å; L89-Q378 HydrophobicContact CB-CG 4.31Å; L89-Q378 HydrophobicContact CD2-CG 4.17Å
90I87.9Confident78.4Confident8 Ų860.3 Ų60.34%0.04133%0.331CS..Hα-helixtrans-51.6-43-171.7-65.1179.1000112.9F7 D88 K92 L93 L94 R232 L235 I236F7-I90 HydrophobicContact CE1-CG2 3.88Å; F7-I90 HydrophobicContact CZ-CG2 4.01Å; D88-I90 VanDerWaalsContact C-N 3.25Å; D88-I90 PolarHBondContact O-N 2.91Å; I90-K92 PolarHBondContact O-N 2.92Å; I90-L93 PolarHBondContact O-N 2.9Å; I90-L93 VanDerWaalsContact O-N 3.11Å; I90-L94 HydrophobicContact CG2-CD1 3.7Å; I90-L94 HydrophobicContact CG2-CG 4.12Å; I90-L94 PolarHBondContact O-N 3.47Å; I90-R232 HydrophobicContact CD1-CB 3.91Å; I90-R232 HydrophobicContact CD1-CG 3.87Å; I90-L235 HydrophobicContact CB-CB 3.95Å; I90-L235 HydrophobicContact CB-CD1 4.36Å; I90-L235 HydrophobicContact CD1-CB 4.19Å; I90-L235 HydrophobicContact CD1-CD1 4.02Å; I90-L235 HydrophobicContact CG1-CD1 4.3Å; I90-L235 HydrophobicContact CG2-CB 4.24Å; I90-I236 HydrophobicContact CG2-CG1 3.84Å
91T85.4Confident75.8Confident12 Ų1261.4 Ų61.47%0.07434%0.336CS..Hα-helixtrans-66.9-26.3179.4-55.10000112.6L89 L235 V375 Q378 T379L89-T91 VanDerWaalsContact C-N 3.28Å; L89-T91 PolarHBondContact O-N 3.19Å; L89-T91 VanDerWaalsContact O-N 3.17Å; T91-L235 PolarHBondContact OG1-O 3.42Å; T91-V375 HydrophobicContact CG2-CG1 3.93Å; T91-V375 HydrophobicContact CG2-CG2 4.43Å; T91-Q378 PolarHBondContact OG1-NE2 3.4Å; T91-Q378 PolarHBondContact OG1-OE1 3.02Å; T91-T379 HydrophobicContact CG2-CG2 3.85Å
92K87.1Confident73.2Confident105 Ų10563.2 Ų63.246%0.45735%0.348SS..Hα-helixtrans-76.5-30.5172.8178-178.7170178.80112D86 L89 I90D86-K92 HydrophobicContact CB-CD 4.43Å; D86-K92 IonicContact OD2-NZ 2.63Å; D86-K92 PolarHBondContact OD2-NZ 3.33Å; L89-K92 HydrophobicContact CB-CB 3.94Å; L89-K92 HydrophobicContact CB-CD 4.48Å; L89-K92 HydrophobicContact CD1-CD 4.2Å; L89-K92 WeakPolarHBondContact O-CA 3.37Å; L89-K92 VanDerWaalsContact O-CB 3.29Å; L89-K92 WeakPolarHBondContact O-CB 3.41Å; L89-K92 PolarHBondContact O-N 3.1Å; I90-K92 PolarHBondContact O-N 2.92Å
93L87.8Confident70.4Confident6 Ų667.6 Ų67.63%0.03138%0.375CS..Hα-helixtrans-79.1-43.7-178.5-63.1173.3000112.4F7 L9 F50 D51 P53 L87 L89 I90 I95F7-L93 HydrophobicContact CE2-CD1 4.39Å; L9-L93 HydrophobicContact CD1-CD1 3.7Å; F50-L93 CarbonylContact C-O 3.43Å; F50-L93 WeakPolarHBondContact CA-O 3.36Å; F50-L93 HydrophobicContact CB-CB 4.19Å; F50-L93 WeakPolarHBondContact CB-O 3.21Å; F50-L93 HydrophobicContact CD2-CB 4.45Å; D51-L93 PolarHBondContact N-O 3.21Å; D51-L93 WeakPolarHBondContact O-CD2 3.41Å; P53-L93 HydrophobicContact CG-CD2 3.35Å; L87-L93 WeakPolarHBondContact O-CD1 3.21Å; L89-L93 PolarHBondContact O-N 3.45Å; L89-L93 VanDerWaalsContact O-N 3.16Å; I90-L93 PolarHBondContact O-N 2.9Å; I90-L93 VanDerWaalsContact O-N 3.11Å; L93-I95 PolarHBondContact O-N 2.88Å
94L88.8Confident67.7Low19 Ų1971.9 Ų71.910%0.09939%0.388CS..BIsolated β-bridgetrans-65.6126.8-172.8-77.2173.8000112.2T4 F7 L48 F50 I90 T96 I236 S239T4-L94 HydrophobicContact CG2-CD2 4.23Å; F7-L94 HydrophobicContact CE1-CD1 4.37Å; F7-L94 HydrophobicContact CE1-CD2 3.75Å; F7-L94 HydrophobicContact CE1-CG 4.08Å; F7-L94 HydrophobicContact CZ-CD2 4.01Å; F7-L94 HydrophobicContact CZ-CG 4.17Å; L48-L94 HydrophobicContact CD1-CD2 3.63Å; F50-L94 HydrophobicContact CB-CD2 4.43Å; I90-L94 HydrophobicContact CG2-CD1 3.7Å; I90-L94 HydrophobicContact CG2-CG 4.12Å; I90-L94 PolarHBondContact O-N 3.47Å; L94-T96 PolarHBondContact O-N 2.83Å; L94-I236 HydrophobicContact CD1-CB 4.42Å; L94-I236 HydrophobicContact CD1-CG1 4.18Å; L94-I236 HydrophobicContact CD1-CG2 4.38Å; L94-S239 WeakPolarHBondContact CD1-OG 3.36Å
95I81Confident64.6Low31 Ų3176.4 Ų76.416%0.15942%0.422CS..  trans-90.7107.3173.6-58.2168.7000107.6T38 K49 D51 L93T38-I95 HydrophobicContact CG2-CD1 3.46Å; T38-I95 VanDerWaalsContact CG2-CD1 3.46Å; K49-I95 HydrophobicContact CD-CB 4.11Å; K49-I95 HydrophobicContact CD-CD1 4.42Å; K49-I95 HydrophobicContact CD-CG2 4.17Å; K49-I95 HydrophobicContact CG-CB 4.16Å; K49-I95 HydrophobicContact CG-CD1 4.16Å; K49-I95 PolarHBondContact O-N 2.91Å; D51-I95 HydrophobicContact CB-CD1 4.29Å; D51-I95 HydrophobicContact CB-CG1 4.44Å; D51-I95 VanDerWaalsContact CG-CD1 3.42Å; D51-I95 VanDerWaalsContact OD1-CD1 3.28Å; D51-I95 WeakPolarHBondContact OD1-CD1 3.34Å; L93-I95 PolarHBondContact O-N 2.88Å
96T67Low62.4Low27 Ų2778.1 Ų78.117%0.16644%0.437CS..  trans-82146.3177.561.90000111.1L94 S98 E99 T240L94-T96 PolarHBondContact O-N 2.83Å; T96-S98 PolarHBondContact O-N 3.3Å; T96-E99 PolarHBondContact O-N 3.16Å; T96-T240 HydrophobicContact CG2-CG2 4.22Å
97P54.8Low59.7Low121 Ų12184 Ų8479%0.78647%0.466SS*.G310 helixtrans-56-20.5179.7-25.232.8000114.6E99 A100P97-E99 PolarHBondContact O-N 3.31Å; P97-A100 WeakPolarHBondContact O-CB 3.34Å; P97-A100 PolarHBondContact O-N 2.79Å
98S49.9Very low57Low76 Ų7692.5 Ų92.553%0.53151%0.506SS..G310 helixtrans-71.7-10.6179.3-1700000113.8T96 A100 R242T96-S98 PolarHBondContact O-N 3.3Å; S98-A100 VanDerWaalsContact C-N 3.33Å; S98-R242 PolarHBondContact OG-NH2 3.28Å
99E39.9Very low54.5Low143 Ų14398.7 Ų98.767%0.66853%0.534SS*.G310 helixtrans-914.1172.6-66.8-17416600112.9T96 P97 K101T96-E99 PolarHBondContact O-N 3.16Å; P97-E99 PolarHBondContact O-N 3.31Å; E99-K101 PolarHBondContact O-N 3.47Å
100A33Very low51.9Low76 Ų76106.7 Ų106.763%0.62858%0.575SS**SBendtrans-63.3106.516400000108.9P97 S98P97-A100 WeakPolarHBondContact O-CB 3.34Å; P97-A100 PolarHBondContact O-N 2.79Å; S98-A100 VanDerWaalsContact C-N 3.33Å
101K31.1Very low49.3Very low188 Ų188113 Ų11382%0.81761%0.609SS**  trans-17.7123172.2-74.6172.4177.7168.80112.5E99 S103E99-K101 PolarHBondContact O-N 3.47Å; K101-S103 PolarHBondContact O-N 3.37Å
102P33.5Very low46.5Very low132 Ų132116.2 Ų116.286%0.85765%0.645SS**  trans-61.9107.4-16422.1-31.7000111.2K104P102-K104 PolarHBondContact O-N 2.95Å
103S28.8Very low43.9Very low116 Ų116115.9 Ų115.981%0.81165%0.652SS**  trans-76.995.8164.6-58.90000107K101 C105K101-S103 PolarHBondContact O-N 3.37Å; S103-C105 PolarHBondContact O-N 3.43Å; S103-C105 VanDerWaalsContact O-N 3.13Å
104K29Very low41.6Very low208 Ų208121.9 Ų121.990%0.90469%0.688SS**  trans17.881.9163.7-66.6-179.8177.3-1800115.1P102P102-K104 PolarHBondContact O-N 2.95Å
105C25.4Very low39.4Very low121 Ų121125.9 Ų125.982%0.81871%0.707SS**  trans-96.3136.9159.5-156.80000108.5S103 I107S103-C105 PolarHBondContact O-N 3.43Å; S103-C105 VanDerWaalsContact O-N 3.13Å; C105-I107 PolarHBondContact O-N 3.02Å
106L42.7Very low37.9Very low179 Ų179132.4 Ų132.494%0.93774%0.737SS**SBendtrans-75.440.5-163.8-84.4159.5000115.6
107I34Very low37.4Very low144 Ų144136.3 Ų136.374%0.73875%0.753SS**SBendtrans-132.8115.9167.5-58.5178.3000106.9C105 E109C105-I107 PolarHBondContact O-N 3.02Å; I107-E109 PolarHBondContact O-N 2.86Å
108E30.7Very low37.9Very low193 Ų193134 Ų13490%0.90273%0.731SS**  trans-65.795.1172.8-76178.4158.600108.7L110E108-L110 PolarHBondContact O-N 3.14Å
109E37.4Very low39Very low167 Ų167136.7 Ų136.778%0.7873%0.733SS**  trans-71.8113.3155.5-74.6177.9172.100107.1I107 D111I107-E109 PolarHBondContact O-N 2.86Å; E109-D111 PolarHBondContact O-N 2.75Å
110L34.3Very low41Very low168 Ų168133.5 Ų133.588%0.8872%0.715SS**THydrogen-bonded Turntrans-60.3125.6164.4-75.9155.2000106.9E108E108-L110 PolarHBondContact O-N 3.14Å
111D33.4Very low43.6Very low140 Ų140135 Ų13575%0.74972%0.721SS**THydrogen-bonded Turntrans76.262178.7-60.6-20.3000117.6E109 T113E109-D111 PolarHBondContact O-N 2.75Å; D111-T113 PolarHBondContact O-N 3.03Å
112G27.7Very low46.6Very low80 Ų80126.4 Ų126.483%0.82568%0.684SS**  trans-68.939.9155.400000114.2
113T31.3Very low49.5Very low98 Ų98124.7 Ų124.760%0.60167%0.667SS**  trans-78126.3169.9-42.60000106.7D111 E115D111-T113 PolarHBondContact O-N 3.03Å; T113-E115 VanDerWaalsContact C-N 3.29Å; T113-E115 PolarHBondContact O-N 2.63Å
114V40Very low52.8Low132 Ų132119.3 Ų119.380%0.863%0.629SS**  trans-47.8101.7162.8177.90000106.1Q116V114-Q116 PolarHBondContact O-N 2.96Å
115E43.6Very low56Low103 Ų103113.4 Ų113.448%0.48160%0.604SS.*  trans-60.3105-173-77.5-173.3159.700106.7T113 Q117T113-E115 VanDerWaalsContact C-N 3.29Å; T113-E115 PolarHBondContact O-N 2.63Å; E115-Q117 PolarHBondContact O-N 3.21Å; E115-Q117 VanDerWaalsContact O-N 3.08Å
116Q48.4Very low59.1Low169 Ų169110.5 Ų110.579%0.7958%0.584SS**  trans-58119.2168-71.6179.3-8.800105.6V114 K118V114-Q116 PolarHBondContact O-N 2.96Å; Q116-K118 PolarHBondContact O-N 3.42Å
117Q56.2Low60.6Low109 Ų109105 Ų10551%0.50956%0.556SS.*  trans-48.4106.4178.4-173.5176.90.700108.6E115 F119 R380E115-Q117 PolarHBondContact O-N 3.21Å; E115-Q117 VanDerWaalsContact O-N 3.08Å; Q117-F119 PolarHBondContact O-N 3.4Å; Q117-R380 PolarHBondContact NE2-O 2.88Å
118K66Low62.2Low73 Ų7399.3 Ų99.332%0.31753%0.529SS..  trans-68.1111.4-174.9-63.9177.7-174.71680107.5Q116 W120 Q246 D248Q116-K118 PolarHBondContact O-N 3.42Å; K118-W120 HydrophobicContact CB-CZ2 4.45Å; K118-W120 HydrophobicContact CD-CZ2 4.18Å; K118-Q246 PolarHBondContact O-NE2 3.15Å; K118-D248 IonicContact NZ-OD1 2.78Å; K118-D248 PolarHBondContact NZ-OD1 3.2Å
119F72Confident63.3Low131 Ų13198.5 Ų98.558%0.57552%0.523SS*.  trans-91.3109.3179.4-175.8-94.5000109.8Q117 C382 S384Q117-F119 PolarHBondContact O-N 3.4Å; F119-C382 HydrophobicContact CD2-CB 4.48Å; F119-C382 HydrophobicContact CE2-CB 4.2Å; F119-S384 VanDerWaalsContact CE2-OG 3.26Å; F119-S384 WeakPolarHBondContact CE2-OG 3.35Å; F119-S384 WeakPolarHBondContact CZ-OG 3.4Å
120W82.5Confident63.8Low77 Ų7795.7 Ų95.729%0.29252%0.522SS..  trans-102.1129.2177.6-58103.9000110.4K118 L122 D248 A250 N385K118-W120 HydrophobicContact CB-CZ2 4.45Å; K118-W120 HydrophobicContact CD-CZ2 4.18Å; W120-L122 HydrophobicContact CB-CD2 3.56Å; W120-L122 HydrophobicContact CB-CG 4.32Å; W120-D248 WeakPolarHBondContact CZ2-O 3.47Å; W120-A250 HydrophobicContact CB-CB 4.14Å; W120-A250 HydrophobicContact CD2-CB 3.93Å; W120-A250 HydrophobicContact CE3-CB 3.68Å; W120-A250 HydrophobicContact CG-CB 4.16Å; W120-A250 HydrophobicContact CZ3-CB 4.34Å; W120-N385 PolarHBondContact O-ND2 2.96Å; W120-N385 PolarHBondContact O-OD1 3.15Å
121S88.5Confident64.6Low108 Ų10891.4 Ų91.476%0.75550%0.499SS*.  trans-77.8122.5159.1-178.10000107.7
122L93.8Very high65.1Low7 Ų789.2 Ų89.24%0.03749%0.494CS..  trans-105.9125.3-168.9-59178.2000111.3W120 W124 A250 E253 K254 Y257 N385W120-L122 HydrophobicContact CB-CD2 3.56Å; W120-L122 HydrophobicContact CB-CG 4.32Å; L122-W124 HydrophobicContact CB-CD2 4.37Å; L122-W124 HydrophobicContact CB-CE3 4.37Å; L122-W124 HydrophobicContact CB-CH2 3.81Å; L122-W124 HydrophobicContact CB-CZ2 3.74Å; L122-W124 HydrophobicContact CB-CZ3 4.1Å; L122-W124 HydrophobicContact CD1-CH2 3.32Å; L122-W124 HydrophobicContact CD1-CZ2 3.93Å; L122-W124 HydrophobicContact CD1-CZ3 3.85Å; L122-W124 HydrophobicContact CG-CH2 4.18Å; L122-W124 HydrophobicContact CG-CZ2 4.41Å; L122-W124 PolarHBondContact O-N 3.04Å; L122-A250 HydrophobicContact CD2-CB 4.02Å; L122-A250 VanDerWaalsContact CD2-O 3.28Å; L122-A250 WeakPolarHBondContact CD2-O 3.45Å; L122-E253 HydrophobicContact CD1-CG 4.24Å; L122-E253 HydrophobicContact CD2-CB 4.3Å; L122-E253 HydrophobicContact CD2-CG 4.3Å; L122-K254 HydrophobicContact CD2-CB 4.27Å; L122-Y257 HydrophobicContact CD1-CD2 3.61Å; L122-Y257 HydrophobicContact CD1-CE2 3.77Å; L122-Y257 HydrophobicContact CD1-CG 4.43Å; L122-N385 HydrophobicContact CD1-CB 4.3Å
123D94.8Very high65.9Low95 Ų9589.3 Ų89.351%0.50848%0.482SS..  trans-88.2104.3169.3-178.5-7.3000110.2F125 S126 K254D123-F125 VanDerWaalsContact C-N 3.32Å; D123-F125 PolarHBondContact O-N 2.96Å; D123-F125 PolarHBondContact OD1-N 3.11Å; D123-S126 PolarHBondContact OD1-N 2.85Å; D123-S126 WeakPolarHBondContact OD2-CB 3.45Å; D123-K254 WeakPolarHBondContact O-CD 3.27Å; D123-K254 PolarHBondContact O-NZ 2.95Å
124W97.4Very high66.2Low4 Ų489.2 Ų89.22%0.01548%0.482CS..SBendtrans-70-22.7-177.7-52109.1000114.2L122 K254 Y257 L258 S301 L302 N385 D388 L389L122-W124 HydrophobicContact CB-CD2 4.37Å; L122-W124 HydrophobicContact CB-CE3 4.37Å; L122-W124 HydrophobicContact CB-CH2 3.81Å; L122-W124 HydrophobicContact CB-CZ2 3.74Å; L122-W124 HydrophobicContact CB-CZ3 4.1Å; L122-W124 HydrophobicContact CD1-CH2 3.32Å; L122-W124 HydrophobicContact CD1-CZ2 3.93Å; L122-W124 HydrophobicContact CD1-CZ3 3.85Å; L122-W124 HydrophobicContact CG-CH2 4.18Å; L122-W124 HydrophobicContact CG-CZ2 4.41Å; L122-W124 PolarHBondContact O-N 3.04Å; W124-K254 HydrophobicContact CE3-CD 4.24Å; W124-K254 HydrophobicContact CE3-CG 3.97Å; W124-K254 HydrophobicContact CZ3-CG 4.01Å; W124-Y257 HydrophobicContact CH2-CD1 4.31Å; W124-Y257 HydrophobicContact CH2-CD2 4.18Å; W124-Y257 AromaticContact CH2-CG 3.86Å; W124-Y257 HydrophobicContact CH2-CG 3.86Å; W124-Y257 HydrophobicContact CZ3-CG 4.24Å; W124-L258 HydrophobicContact CE3-CD2 4.38Å; W124-S301 CarbonylContact O-C 3.57Å; W124-S301 WeakPolarHBondContact O-CA 3.4Å; W124-L302 HydrophobicContact CB-CB 3.96Å; W124-L302 HydrophobicContact CB-CD2 4.3Å; W124-L302 WeakPolarHBondContact O-CB 3.42Å; W124-L302 PolarHBondContact O-N 3.1Å; W124-N385 HydrophobicContact CZ2-CB 4.35Å; W124-N385 WeakPolarHBondContact CZ2-O 3.23Å; W124-D388 PolarHBondContact NE1-OD2 2.89Å; W124-L389 HydrophobicContact CD2-CB 4.36Å; W124-L389 HydrophobicContact CD2-CD1 3.76Å; W124-L389 HydrophobicContact CE3-CD1 3.69Å; W124-L389 HydrophobicContact CG-CD1 4.26Å; W124-L389 HydrophobicContact CH2-CB 4.01Å; W124-L389 HydrophobicContact CH2-CD1 4.4Å; W124-L389 HydrophobicContact CZ2-CB 3.72Å; W124-L389 HydrophobicContact CZ3-CB 4.48Å; W124-L389 HydrophobicContact CZ3-CD1 4.02Å
125F96.2Very high66.6Low84 Ų8488.7 Ų88.737%0.36848%0.481SS..SBendtrans-100.2-19.2-172.8-65.5-76.8000113.6D123 D127 L302 P303 F396D123-F125 VanDerWaalsContact C-N 3.32Å; D123-F125 PolarHBondContact O-N 2.96Å; D123-F125 PolarHBondContact OD1-N 3.11Å; F125-D127 PolarHBondContact O-N 2.7Å; F125-L302 HydrophobicContact CE1-CD2 3.93Å; F125-L302 HydrophobicContact CZ-CD2 3.89Å; F125-P303 HydrophobicContact CD1-CG 4.21Å; F125-F396 HydrophobicContact CE1-CB 4.09Å; F125-F396 AromaticContact CE1-CD2 3.89Å; F125-F396 HydrophobicContact CE1-CD2 3.89Å; F125-F396 HydrophobicContact CE1-CG 4.34Å; F125-F396 HydrophobicContact CZ-CB 4.37Å
126S89.4Confident66.5Low59 Ų5992.2 Ų92.241%0.41350%0.498SS..  trans-65.5118.9176.1-175.60000111.5D123 K254D123-S126 PolarHBondContact OD1-N 2.85Å; D123-S126 WeakPolarHBondContact OD2-CB 3.45Å; S126-K254 PolarHBondContact O-NZ 3.39Å
127D75.4Confident66.3Low63 Ų6390 Ų9034%0.33749%0.491SS..  trans-77.9131.4170.2-74.5-14.7000109.9F125 K129 S301F125-D127 PolarHBondContact O-N 2.7Å; D127-K129 HydrophobicContact CB-CD 4.41Å; D127-K129 HydrophobicContact CB-CG 4.07Å; D127-K129 PolarHBondContact O-N 3Å; D127-K129 WeakPolarHBondContact OD2-CE 3.35Å; D127-K129 IonicContact OD2-NZ 2.62Å; D127-S301 VanDerWaalsContact OD1-CB 3.24Å; D127-S301 WeakPolarHBondContact OD1-CB 3.39Å; D127-S301 PolarHBondContact OD1-OG 2.96Å
128S66.6Low65.9Low26 Ų2690.8 Ų90.818%0.18250%0.503CS..  trans-80.156.3171.1-162.30000111.6S130 I131 L251S128-S130 PolarHBondContact O-N 3.44Å; S128-I131 VanDerWaalsContact OG-CD1 3.25Å; S128-I131 WeakPolarHBondContact OG-CD1 3.41Å; S128-I131 WeakPolarHBondContact OG-CG1 3.29Å; S128-L251 WeakPolarHBondContact OG-CD2 3.26Å
129K53.7Low65.3Low176 Ų17693.2 Ų93.277%0.76552%0.518SS*.THydrogen-bonded Turntrans-71-4.1174.5-75.1179-173.7172.10113.1D127D127-K129 HydrophobicContact CB-CD 4.41Å; D127-K129 HydrophobicContact CB-CG 4.07Å; D127-K129 PolarHBondContact O-N 3Å; D127-K129 WeakPolarHBondContact OD2-CE 3.35Å; D127-K129 IonicContact OD2-NZ 2.62Å
130S48.4Very low64.6Low108 Ų10894.9 Ų94.976%0.75553%0.532SS*.THydrogen-bonded Turntrans-92-0.7178.860.60000114.8S128 S132S128-S130 PolarHBondContact O-N 3.44Å; S130-S132 PolarHBondContact O-N 2.94Å
131I51.8Low64.1Low78 Ų7895 Ų9540%0.455%0.545SS..  trans-84.564.8165.1-52.9167.1000107.2S128 S133 F176 L251S128-I131 VanDerWaalsContact OG-CD1 3.25Å; S128-I131 WeakPolarHBondContact OG-CD1 3.41Å; S128-I131 WeakPolarHBondContact OG-CG1 3.29Å; I131-S133 PolarHBondContact O-N 2.77Å; I131-F176 HydrophobicContact CG2-CE1 4.19Å; I131-F176 HydrophobicContact CG2-CZ 3.75Å; I131-L251 HydrophobicContact CD1-CD2 3.51Å
132S43.6Very low63.7Low94 Ų9494.8 Ų94.866%0.65753%0.53SS*.  trans-71.6113.915470.30000105S130 T134S130-S132 PolarHBondContact O-N 2.94Å; S132-T134 PolarHBondContact O-N 2.74Å
133S43.9Very low63.6Low82 Ų8295.7 Ų95.757%0.57354%0.537SS*.  trans-51116.4160.4410000107.3I131 P135I131-S133 PolarHBondContact O-N 2.77Å; S133-P135 VanDerWaalsContact O-CD 3.31Å; S133-P135 WeakPolarHBondContact O-CD 3.42Å
134T38.1Very low63.5Low95 Ų9593.7 Ų93.758%0.58353%0.528SS*.  trans-58.5121.7160.937.40000105.5S132 E136S132-T134 PolarHBondContact O-N 2.74Å; T134-E136 PolarHBondContact O-N 2.97Å
135P48.2Very low63.4Low122 Ų12293.7 Ų93.779%0.79253%0.528SS*.THydrogen-bonded Turntrans-66.85.3-177-18.130.9000114.2S133S133-P135 VanDerWaalsContact O-CD 3.31Å; S133-P135 WeakPolarHBondContact O-CD 3.42Å
136E42.1Very low63.3Low177 Ų17789.9 Ų89.983%0.82751%0.513SS*.THydrogen-bonded Turntrans-98.3-13.6-165.2-65.4-173.5171.900114.4T134T134-E136 PolarHBondContact O-N 2.97Å
137D44.6Very low63.7Low121 Ų12187.3 Ų87.365%0.64749%0.494SS*.SBendtrans-95.6108.1163.3-71.4-38.2000107.8I139D137-I139 HydrophobicContact CB-CG1 4.05Å; D137-I139 PolarHBondContact O-N 3.41Å
138V47Very low64.6Low126 Ų12686.9 Ų86.976%0.76450%0.496SS*.  trans-64.581.5165.1-178.40000106.5L140V138-L140 VanDerWaalsContact C-N 3.3Å; V138-L140 HydrophobicContact CG1-CG 4.32Å; V138-L140 PolarHBondContact O-N 3.19Å
139I53.2Low65.8Low124 Ų12486.8 Ų86.864%0.63650%0.499SS*.  trans-70.497.6175.2-53.5179.1000105.5D137 S141D137-I139 HydrophobicContact CB-CG1 4.05Å; D137-I139 PolarHBondContact O-N 3.41Å; I139-S141 WeakPolarHBondContact CG2-OG 3.44Å; I139-S141 PolarHBondContact O-N 2.86Å
140L58.2Low67.7Low167 Ų16780.6 Ų80.687%0.87448%0.478SS*.  trans-65.616.6170.9-78.8159.5000112.7V138V138-L140 VanDerWaalsContact C-N 3.3Å; V138-L140 HydrophobicContact CG1-CG 4.32Å; V138-L140 PolarHBondContact O-N 3.19Å
141S71.1Confident69.8Low80 Ų8079.9 Ų79.956%0.55946%0.462SS*.PPolyproline II helixtrans-79.9133176.771.20000109.2I139I139-S141 WeakPolarHBondContact CG2-OG 3.44Å; I139-S141 PolarHBondContact O-N 2.86Å
142K81Confident71.7Confident102 Ų10279.2 Ų79.244%0.44346%0.464SS..PPolyproline II helixtrans-63.8144.6170.7-66.1180177.8179.40108.5T144K142-T144 PolarHBondContact O-N 3.01Å
143P90.5Very high73.9Confident26 Ų2675.7 Ų75.717%0.16944%0.442CS..PPolyproline II helixtrans-50.8137.8170.5-2532.9000111.2S152 D171 V173P143-S152 VanDerWaalsContact O-CB 3.32Å; P143-S152 WeakPolarHBondContact O-CB 3.39Å; P143-D171 VanDerWaalsContact CD-O 3.32Å; P143-D171 WeakPolarHBondContact CD-O 3.23Å; P143-V173 VanDerWaalsContact CB-O 3.25Å; P143-V173 WeakPolarHBondContact CB-O 3.19Å
144T93.5Very high76Confident53 Ų5375.7 Ų75.733%0.32544%0.435SS..  trans-106.2159.1-175.959.20000112.3K142 G149 K151 R178K142-T144 PolarHBondContact O-N 3.01Å; T144-G149 VanDerWaalsContact CB-O 3.25Å; T144-G149 WeakPolarHBondContact CB-O 3.5Å; T144-K151 CarbonylContact C-O 3.57Å; T144-K151 WeakPolarHBondContact CA-O 3.29Å; T144-K151 WeakPolarHBondContact CB-O 3.38Å; T144-R178 VanDerWaalsContact O-CZ 3.27Å; T144-R178 PolarHBondContact O-NH1 2.8Å; T144-R178 PolarHBondContact O-NH2 2.99Å
145Y94.8Very high78.4Confident4 Ų472 Ų722%0.01641%0.411CS..BIsolated β-bridgetrans-157.2-174.4175.443.9-99.1000109.3G149 S150 K151 G153 L154 F155 P170 D171 F296 L368Y145-G149 CarbonylContact O-C 3.37Å; Y145-S150 PolarHBondContact O-N 3.4Å; Y145-K151 HydrophobicContact CD2-CB 4.13Å; Y145-K151 HydrophobicContact CE2-CB 4.11Å; Y145-K151 PolarHBondContact N-O 2.91Å; Y145-K151 WeakPolarHBondContact O-CB 3.32Å; Y145-K151 PolarHBondContact O-N 2.86Å; Y145-G153 PolarHBondContact OH-N 2.83Å; Y145-L154 HydrophobicContact CE2-CB 4.1Å; Y145-L154 WeakPolarHBondContact OH-CA 3.39Å; Y145-L154 VanDerWaalsContact OH-CB 3.27Å; Y145-L154 WeakPolarHBondContact OH-CB 3.3Å; Y145-L154 PolarHBondContact OH-N 3.11Å; Y145-F155 HydrophobicContact CD2-CE2 4.36Å; Y145-F155 HydrophobicContact CE1-CD2 4.11Å; Y145-F155 HydrophobicContact CE1-CE2 4.41Å; Y145-F155 HydrophobicContact CE2-CD2 4.08Å; Y145-F155 AromaticContact CE2-CE2 3.74Å; Y145-F155 HydrophobicContact CE2-CE2 3.74Å; Y145-F155 AromaticContact CZ-CD2 3.61Å; Y145-F155 AromaticContact CZ-CE2 3.78Å; Y145-F155 WeakPolarHBondContact OH-CD2 3.17Å; Y145-P170 HydrophobicContact CD1-CB 4.46Å; Y145-P170 HydrophobicContact CE1-CB 4.2Å; Y145-D171 WeakPolarHBondContact CE1-OD1 3.21Å; Y145-D171 VanDerWaalsContact CZ-OD1 3.31Å; Y145-D171 PolarHBondContact OH-OD1 3.42Å; Y145-F296 AromaticContact CD1-CD2 3.85Å; Y145-F296 HydrophobicContact CD1-CD2 3.85Å; Y145-F296 HydrophobicContact CD1-CE2 4.14Å; Y145-F296 HydrophobicContact CD2-CD2 4.44Å; Y145-F296 HydrophobicContact CD2-CE2 4.27Å; Y145-F296 HydrophobicContact CD2-CZ 4.49Å; Y145-F296 AromaticContact CG-CD2 3.73Å; Y145-F296 HydrophobicContact CG-CD2 3.73Å; Y145-F296 AromaticContact CG-CE2 3.98Å; Y145-F296 HydrophobicContact CG-CE2 3.98Å; Y145-F296 HydrophobicContact CG-CG 4.1Å; Y145-L368 HydrophobicContact CD2-CD1 4.11Å; Y145-L368 HydrophobicContact CD2-CD2 4Å; Y145-L368 HydrophobicContact CE2-CD1 4.4Å; Y145-L368 HydrophobicContact CE2-CD2 4.08Å
146G95.2Very high80Confident5 Ų572 Ų725%0.05240%0.4CS..SBendtrans80.2178.2-16900000112.3S148 G149 L368 Y369G146-S148 PolarHBondContact O-N 3.2Å; G146-G149 PolarHBondContact O-N 2.83Å; G146-L368 CarbonylContact C-O 3.5Å; G146-L368 WeakPolarHBondContact CA-O 3.11Å; G146-Y369 VanDerWaalsContact CA-CE1 3.49Å; G146-Y369 PolarHBondContact N-OH 3.19Å; G146-Y369 WeakPolarHBondContact O-CE1 3.46Å
147F96.8Very high81.8Confident5 Ų568.8 Ų68.82%0.02239%0.393CS..G310 helixtrans-53.9122.8178.7-177.3-86.6000110.2G149 S150 L243 P244 I256 L368 D372 Y373 W376F147-G149 PolarHBondContact O-N 3.24Å; F147-G149 VanDerWaalsContact O-N 3.16Å; F147-S150 VanDerWaalsContact O-CB 3.23Å; F147-S150 WeakPolarHBondContact O-CB 3.29Å; F147-S150 PolarHBondContact O-N 3.36Å; F147-S150 VanDerWaalsContact O-N 3.14Å; F147-S150 PolarHBondContact O-OG 3.42Å; F147-L243 HydrophobicContact CE1-CD2 4.45Å; F147-P244 HydrophobicContact CD1-CG 4.12Å; F147-I256 HydrophobicContact CE1-CD1 4.15Å; F147-I256 HydrophobicContact CE2-CG2 3.56Å; F147-I256 HydrophobicContact CZ-CD1 3.92Å; F147-I256 HydrophobicContact CZ-CG1 4.35Å; F147-I256 HydrophobicContact CZ-CG2 3.67Å; F147-L368 PolarHBondContact N-O 2.9Å; F147-D372 HydrophobicContact CB-CB 3.47Å; F147-D372 VanDerWaalsContact CB-CB 3.47Å; F147-D372 HydrophobicContact CD1-CB 3.83Å; F147-D372 HydrophobicContact CD2-CB 3.85Å; F147-D372 HydrophobicContact CG-CB 3.43Å; F147-D372 VanDerWaalsContact CG-CB 3.43Å; F147-Y373 HydrophobicContact CD2-CD1 4.02Å; F147-Y373 AromaticContact CD2-CD2 3.76Å; F147-Y373 HydrophobicContact CD2-CD2 3.76Å; F147-Y373 HydrophobicContact CD2-CE1 4.09Å; F147-Y373 AromaticContact CD2-CE2 3.85Å; F147-Y373 HydrophobicContact CD2-CE2 3.85Å; F147-Y373 AromaticContact CD2-CG 3.84Å; F147-Y373 HydrophobicContact CD2-CG 3.84Å; F147-Y373 AromaticContact CE2-CD1 3.7Å; F147-Y373 HydrophobicContact CE2-CD1 3.7Å; F147-Y373 HydrophobicContact CE2-CD2 4.3Å; F147-Y373 AromaticContact CE2-CE1 3.78Å; F147-Y373 HydrophobicContact CE2-CE1 3.78Å; F147-Y373 HydrophobicContact CE2-CE2 4.38Å; F147-Y373 AromaticContact CE2-CG 3.96Å; F147-Y373 HydrophobicContact CE2-CG 3.96Å; F147-W376 HydrophobicContact CE2-CB 3.91Å; F147-W376 HydrophobicContact CE2-CD2 4.25Å; F147-W376 AromaticContact CE2-CG 3.96Å; F147-W376 HydrophobicContact CE2-CG 3.96Å; F147-W376 HydrophobicContact CZ-CB 3.63Å; F147-W376 AromaticContact CZ-CD1 3.66Å; F147-W376 HydrophobicContact CZ-CD2 4.15Å; F147-W376 AromaticContact CZ-CG 3.53Å; F147-W376 HydrophobicContact CZ-CG 3.53Å
148S93.9Very high83.1Confident53 Ų5371.2 Ų71.237%0.37140%0.4SS..G310 helixtrans53.129.4-176.5-157.20000114.4G146 S150G146-S148 PolarHBondContact O-N 3.2Å; S148-S150 VanDerWaalsContact C-N 3.26Å; S148-S150 PolarHBondContact O-N 2.98Å
149G92.6Very high84.3Confident25 Ų2567.4 Ų67.426%0.25838%0.379SS..G310 helixtrans66.126.1-179.700000113.9T144 Y145 G146 F147 K151T144-G149 VanDerWaalsContact CB-O 3.25Å; T144-G149 WeakPolarHBondContact CB-O 3.5Å; Y145-G149 CarbonylContact O-C 3.37Å; G146-G149 PolarHBondContact O-N 2.83Å; F147-G149 PolarHBondContact O-N 3.24Å; F147-G149 VanDerWaalsContact O-N 3.16Å; G149-K151 VanDerWaalsContact C-N 3.25Å; G149-K151 PolarHBondContact O-N 3.28Å
150S93.1Very high85.2Confident45 Ų4568 Ų6832%0.31538%0.384SS..  trans-74.6-5-172.361.20000115.6Y145 F147 S148 P244Y145-S150 PolarHBondContact O-N 3.4Å; F147-S150 VanDerWaalsContact O-CB 3.23Å; F147-S150 WeakPolarHBondContact O-CB 3.29Å; F147-S150 PolarHBondContact O-N 3.36Å; F147-S150 VanDerWaalsContact O-N 3.14Å; F147-S150 PolarHBondContact O-OG 3.42Å; S148-S150 VanDerWaalsContact C-N 3.26Å; S148-S150 PolarHBondContact O-N 2.98Å; S150-P244 VanDerWaalsContact CB-CG 3.46Å
151K92.3Very high85.9Confident94 Ų9461.5 Ų61.541%0.40935%0.349SS..BIsolated β-bridgetrans-128.9153-174.8-52.6-66.2175-175.40111.2T144 Y145 G149 L368T144-K151 CarbonylContact C-O 3.57Å; T144-K151 WeakPolarHBondContact CA-O 3.29Å; T144-K151 WeakPolarHBondContact CB-O 3.38Å; Y145-K151 HydrophobicContact CD2-CB 4.13Å; Y145-K151 HydrophobicContact CE2-CB 4.11Å; Y145-K151 PolarHBondContact N-O 2.91Å; Y145-K151 WeakPolarHBondContact O-CB 3.32Å; Y145-K151 PolarHBondContact O-N 2.86Å; G149-K151 VanDerWaalsContact C-N 3.25Å; G149-K151 PolarHBondContact O-N 3.28Å; K151-L368 HydrophobicContact CB-CD2 3.93Å; K151-L368 HydrophobicContact CG-CD2 3.78Å
152S92.4Very high86Confident64 Ų6459.9 Ų59.945%0.44834%0.337SS..  trans-158.3160.7169.460.80000109.9P143 L154P143-S152 VanDerWaalsContact O-CB 3.32Å; P143-S152 WeakPolarHBondContact O-CB 3.39Å; S152-L154 PolarHBondContact O-N 3.16Å
153G89.6Confident85.9Confident19 Ų1962.9 Ų62.920%0.19635%0.352CS..  trans817.2169.900000117.4Y145 Q156 D171Y145-G153 PolarHBondContact OH-N 2.83Å; G153-Q156 PolarHBondContact O-NE2 3.33Å; G153-D171 VanDerWaalsContact CA-CG 3.41Å; G153-D171 WeakPolarHBondContact CA-OD1 3.43Å; G153-D171 VanDerWaalsContact CA-OD2 3.23Å; G153-D171 WeakPolarHBondContact CA-OD2 3.46Å; G153-D171 PolarHBondContact N-OD1 3.17Å
154L88.3Confident85.5Confident82 Ų8261.9 Ų61.943%0.42935%0.346SS..THydrogen-bonded Turntrans-73-24.6179.7-173.763.1000114Y145 S152 D171 V364 L368Y145-L154 HydrophobicContact CE2-CB 4.1Å; Y145-L154 WeakPolarHBondContact OH-CA 3.39Å; Y145-L154 VanDerWaalsContact OH-CB 3.27Å; Y145-L154 WeakPolarHBondContact OH-CB 3.3Å; Y145-L154 PolarHBondContact OH-N 3.11Å; S152-L154 PolarHBondContact O-N 3.16Å; L154-D171 PolarHBondContact N-OD2 3.19Å; L154-V364 HydrophobicContact CD2-CG2 3.73Å; L154-L368 HydrophobicContact CD2-CD1 4.3Å; L154-L368 HydrophobicContact CD2-CD2 4.05Å; L154-L368 HydrophobicContact CD2-CG 4.39Å
155F87.9Confident85.5Confident17 Ų1760 Ų608%0.07533%0.334CS..THydrogen-bonded Turntrans-107.320.7-173.6-59.8-83.4000113Y145 V157 L161 V165 P170 D171 F296 V364 L368Y145-F155 HydrophobicContact CD2-CE2 4.36Å; Y145-F155 HydrophobicContact CE1-CD2 4.11Å; Y145-F155 HydrophobicContact CE1-CE2 4.41Å; Y145-F155 HydrophobicContact CE2-CD2 4.08Å; Y145-F155 AromaticContact CE2-CE2 3.74Å; Y145-F155 HydrophobicContact CE2-CE2 3.74Å; Y145-F155 AromaticContact CZ-CD2 3.61Å; Y145-F155 AromaticContact CZ-CE2 3.78Å; Y145-F155 WeakPolarHBondContact OH-CD2 3.17Å; F155-V157 PolarHBondContact O-N 2.86Å; F155-L161 HydrophobicContact CE1-CB 4.08Å; F155-V165 HydrophobicContact CE1-CG2 3.7Å; F155-V165 HydrophobicContact CZ-CG2 3.76Å; F155-P170 HydrophobicContact CB-CB 4.27Å; F155-P170 HydrophobicContact CB-CG 4.1Å; F155-P170 HydrophobicContact CD1-CG 4.36Å; F155-P170 HydrophobicContact CD2-CB 3.72Å; F155-P170 HydrophobicContact CD2-CG 3.89Å; F155-P170 HydrophobicContact CE2-CB 4.37Å; F155-P170 HydrophobicContact CE2-CG 4.45Å; F155-P170 HydrophobicContact CG-CB 4.11Å; F155-P170 HydrophobicContact CG-CG 3.86Å; F155-D171 VanDerWaalsContact CA-OD2 3.25Å; F155-D171 WeakPolarHBondContact CA-OD2 3.23Å; F155-D171 PolarHBondContact N-OD2 3.25Å; F155-F296 HydrophobicContact CD2-CE2 4.11Å; F155-F296 AromaticContact CE2-CE2 3.45Å; F155-F296 HydrophobicContact CE2-CE2 3.45Å; F155-F296 VanDerWaalsContact CE2-CE2 3.45Å; F155-F296 AromaticContact CE2-CZ 3.5Å; F155-F296 HydrophobicContact CE2-CZ 3.5Å; F155-F296 AromaticContact CZ-CE2 3.93Å; F155-F296 HydrophobicContact CZ-CE2 3.93Å; F155-F296 AromaticContact CZ-CZ 3.59Å; F155-F296 HydrophobicContact CZ-CZ 3.59Å; F155-V364 HydrophobicContact CZ-CG2 4.31Å; F155-L368 HydrophobicContact CE2-CD1 4.39Å; F155-L368 HydrophobicContact CZ-CD1 4.38Å
156Q82.8Confident85.5Confident122 Ų12261.2 Ų61.257%0.5734%0.341SS*.SBendtrans-66.9-26.1177.2-73.817349.100113G153 D171G153-Q156 PolarHBondContact O-NE2 3.33Å; Q156-D171 PolarHBondContact N-OD2 3.37Å
157V78.8Confident85.5Confident111 Ų11161.1 Ų61.167%0.67334%0.339SS*.SBendtrans-115.9130.9177.8-175.40000107.6F155 S159F155-V157 PolarHBondContact O-N 2.86Å; V157-S159 PolarHBondContact O-N 2.97Å
158E71.7Confident85.2Confident172 Ų17264.3 Ų64.380%0.80436%0.36SS*.  trans-57.4123.8170.8-74.7-174.1165.800109.3
159S72.6Confident85Confident46 Ų4668.1 Ų68.132%0.32237%0.372SS..  trans-141.2172.1178.763.80000109.2V157 L161 T162V157-S159 PolarHBondContact O-N 2.97Å; S159-L161 PolarHBondContact O-N 3.28Å; S159-L161 WeakPolarHBondContact OG-CB 3.22Å; S159-L161 PolarHBondContact OG-N 3.36Å; S159-T162 PolarHBondContact N-OG1 3.49Å; S159-T162 VanDerWaalsContact O-CB 3.23Å; S159-T162 WeakPolarHBondContact O-CB 3.14Å; S159-T162 PolarHBondContact O-N 3.21Å; S159-T162 PolarHBondContact O-OG1 2.88Å
160D71.2Confident85Confident136 Ų13667.1 Ų67.173%0.72736%0.361SS*.G310 helixtrans-55.6-24173.9-62.5-20.7000112.3T162 H163D160-T162 VanDerWaalsContact C-N 3.28Å; D160-T162 PolarHBondContact O-N 3.35Å; D160-H163 PolarHBondContact O-N 3.5Å
161L74.1Confident84.9Confident30 Ų3065.9 Ų65.916%0.15735%0.351CS..G310 helixtrans-66.2-29.7175.1-51.5-176.4000112.6F155 S159 H163 A164 V364F155-L161 HydrophobicContact CE1-CB 4.08Å; S159-L161 PolarHBondContact O-N 3.28Å; S159-L161 WeakPolarHBondContact OG-CB 3.22Å; S159-L161 PolarHBondContact OG-N 3.36Å; L161-H163 PolarHBondContact O-N 3.33Å; L161-A164 WeakPolarHBondContact O-CB 3.46Å; L161-A164 PolarHBondContact O-N 3.08Å; L161-A164 VanDerWaalsContact O-N 3.12Å; L161-V364 HydrophobicContact CD1-CB 4.42Å; L161-V364 HydrophobicContact CD1-CG2 4.08Å; L161-V364 HydrophobicContact CD2-CB 3.99Å; L161-V364 HydrophobicContact CD2-CG1 4.46Å
162T73.4Confident84.9Confident47 Ų4766 Ų6629%0.28836%0.363SS..G310 helixtrans-64.5-29.9179.5-51.20000111.2S159 D160 A164S159-T162 PolarHBondContact N-OG1 3.49Å; S159-T162 VanDerWaalsContact O-CB 3.23Å; S159-T162 WeakPolarHBondContact O-CB 3.14Å; S159-T162 PolarHBondContact O-N 3.21Å; S159-T162 PolarHBondContact O-OG1 2.88Å; D160-T162 VanDerWaalsContact C-N 3.28Å; D160-T162 PolarHBondContact O-N 3.35Å; T162-A164 VanDerWaalsContact C-N 3.3Å; T162-A164 PolarHBondContact O-N 3.07Å
163H78.5Confident84.9Confident165 Ų16564.1 Ų64.176%0.76435%0.349SS*.G310 helixtrans-75.5-18176.5-65.4-60.3000113.8D160 L161D160-H163 PolarHBondContact O-N 3.5Å; L161-H163 PolarHBondContact O-N 3.33Å
164A83Confident85Confident5 Ų567.2 Ų67.24%0.04136%0.361CS..G310 helixtrans-80.6-22.617800000113.3L161 T162 Y362 F365L161-A164 WeakPolarHBondContact O-CB 3.46Å; L161-A164 PolarHBondContact O-N 3.08Å; L161-A164 VanDerWaalsContact O-N 3.12Å; T162-A164 VanDerWaalsContact C-N 3.3Å; T162-A164 PolarHBondContact O-N 3.07Å; A164-Y362 HydrophobicContact CB-CD1 3.56Å; A164-Y362 HydrophobicContact CB-CE1 3.64Å; A164-F365 HydrophobicContact CB-CE2 4.08Å; A164-F365 HydrophobicContact CB-CZ 4.17Å; A164-F365 WeakPolarHBondContact O-CZ 3.46Å
165V92.5Very high85.1Confident13 Ų1364.9 Ų64.98%0.07935%0.35CS..  trans-103.4133.1-173.1-178.70000109.8F155 L167 P170 S294 F296 F365F155-V165 HydrophobicContact CE1-CG2 3.7Å; F155-V165 HydrophobicContact CZ-CG2 3.76Å; V165-L167 HydrophobicContact CG1-CB 3.98Å; V165-P170 HydrophobicContact CG1-CG 3.95Å; V165-S294 WeakPolarHBondContact CG1-O 3.36Å; V165-F296 HydrophobicContact CG1-CD2 4.49Å; V165-F296 HydrophobicContact CG1-CE2 3.86Å; V165-F296 HydrophobicContact CG1-CZ 3.95Å; V165-F296 HydrophobicContact CG2-CE2 4.35Å; V165-F296 HydrophobicContact CG2-CZ 3.76Å; V165-F365 HydrophobicContact CG2-CE1 4.09Å; V165-F365 HydrophobicContact CG2-CZ 4.08Å
166D94.7Very high85.2Confident29 Ų2968.7 Ų68.716%0.15537%0.367CS..  trans-84.4-28178.8-72.3-18.3000112.6P168 K288 S294 W295 R312D166-P168 WeakPolarHBondContact O-CD 3.41Å; D166-K288 IonicContact OD1-NZ 2.92Å; D166-K288 PolarHBondContact OD1-NZ 3.49Å; D166-K288 WeakPolarHBondContact OD2-CD 3.35Å; D166-K288 IonicContact OD2-NZ 3.93Å; D166-K288 PolarHBondContact OD2-NZ 3.17Å; D166-S294 WeakPolarHBondContact CA-O 3.39Å; D166-S294 PolarHBondContact N-O 3.46Å; D166-W295 HydrophobicContact CB-CZ2 4.24Å; D166-W295 VanDerWaalsContact CB-NE1 3.29Å; D166-R312 IonicContact OD2-NH2 3.55Å
167L95.1Very high85.7Confident4 Ų467.6 Ų67.62%0.02136%0.36CS..SBendtrans-62.8116.4174.6176.164.5000110.6V165 H169 P170 V173 R178 S294 W295 F296V165-L167 HydrophobicContact CG1-CB 3.98Å; L167-H169 PolarHBondContact O-N 3.14Å; L167-P170 HydrophobicContact CB-CG 4.45Å; L167-P170 HydrophobicContact CD2-CB 3.99Å; L167-P170 HydrophobicContact CD2-CG 4.31Å; L167-P170 HydrophobicContact CG-CB 4.49Å; L167-P170 HydrophobicContact CG-CG 4.34Å; L167-P170 WeakPolarHBondContact O-CD 3.25Å; L167-P170 WeakPolarHBondContact O-CG 3.39Å; L167-V173 HydrophobicContact CD1-CB 4.03Å; L167-V173 HydrophobicContact CD1-CG1 3.92Å; L167-V173 HydrophobicContact CD1-CG2 4.21Å; L167-R178 HydrophobicContact CD1-CG 4.01Å; L167-R178 HydrophobicContact CD2-CG 3.99Å; L167-S294 PolarHBondContact N-O 3.18Å; L167-S294 VanDerWaalsContact N-O 3.08Å; L167-W295 HydrophobicContact CB-CD2 4.48Å; L167-W295 HydrophobicContact CB-CE3 4.05Å; L167-W295 HydrophobicContact CD1-CE3 3.75Å; L167-W295 HydrophobicContact CD1-CZ3 3.81Å; L167-F296 HydrophobicContact CD2-CD2 4.09Å
168P91.3Very high86.5Confident72 Ų7262.3 Ų62.347%0.46833%0.328SS..SBendtrans-67.8133.9174.9-18.833.6000110.5D166 V173D166-P168 WeakPolarHBondContact O-CD 3.41Å; P168-V173 WeakPolarHBondContact O-CG2 3.41Å
169H90.3Very high87.6Confident133 Ų13355.3 Ų55.362%0.61630%0.299SS*.SBendtrans46.765.5177.8-50.1-66.2000114.2L167 D171 S172 V173L167-H169 PolarHBondContact O-N 3.14Å; H169-D171 PolarHBondContact O-N 3.3Å; H169-S172 PolarHBondContact O-N 3.28Å; H169-V173 PolarHBondContact O-N 2.84Å
170P92Very high88.8Confident3 Ų358.3 Ų58.32%0.01931%0.307CS..THydrogen-bonded Turntrans-55-29.1-173.7-28.936.6000116Y145 F155 V165 L167 S172 F296Y145-P170 HydrophobicContact CD1-CB 4.46Å; Y145-P170 HydrophobicContact CE1-CB 4.2Å; F155-P170 HydrophobicContact CB-CB 4.27Å; F155-P170 HydrophobicContact CB-CG 4.1Å; F155-P170 HydrophobicContact CD1-CG 4.36Å; F155-P170 HydrophobicContact CD2-CB 3.72Å; F155-P170 HydrophobicContact CD2-CG 3.89Å; F155-P170 HydrophobicContact CE2-CB 4.37Å; F155-P170 HydrophobicContact CE2-CG 4.45Å; F155-P170 HydrophobicContact CG-CB 4.11Å; F155-P170 HydrophobicContact CG-CG 3.86Å; V165-P170 HydrophobicContact CG1-CG 3.95Å; L167-P170 HydrophobicContact CB-CG 4.45Å; L167-P170 HydrophobicContact CD2-CB 3.99Å; L167-P170 HydrophobicContact CD2-CG 4.31Å; L167-P170 HydrophobicContact CG-CB 4.49Å; L167-P170 HydrophobicContact CG-CG 4.34Å; L167-P170 WeakPolarHBondContact O-CD 3.25Å; L167-P170 WeakPolarHBondContact O-CG 3.39Å; P170-S172 VanDerWaalsContact C-N 3.28Å; P170-S172 PolarHBondContact O-N 3.04Å; P170-F296 HydrophobicContact CB-CD2 3.89Å; P170-F296 HydrophobicContact CB-CE2 3.66Å; P170-F296 HydrophobicContact CG-CD2 4.39Å; P170-F296 HydrophobicContact CG-CE2 3.89Å
171D91.3Very high90Very high19 Ų1954.9 Ų54.910%0.10229%0.289CS..THydrogen-bonded Turntrans-83.30.6178.4-68.7-33.9000113.9P143 Y145 G153 L154 F155 Q156 H169P143-D171 VanDerWaalsContact CD-O 3.32Å; P143-D171 WeakPolarHBondContact CD-O 3.23Å; Y145-D171 WeakPolarHBondContact CE1-OD1 3.21Å; Y145-D171 VanDerWaalsContact CZ-OD1 3.31Å; Y145-D171 PolarHBondContact OH-OD1 3.42Å; G153-D171 VanDerWaalsContact CA-CG 3.41Å; G153-D171 WeakPolarHBondContact CA-OD1 3.43Å; G153-D171 VanDerWaalsContact CA-OD2 3.23Å; G153-D171 WeakPolarHBondContact CA-OD2 3.46Å; G153-D171 PolarHBondContact N-OD1 3.17Å; L154-D171 PolarHBondContact N-OD2 3.19Å; F155-D171 VanDerWaalsContact CA-OD2 3.25Å; F155-D171 WeakPolarHBondContact CA-OD2 3.23Å; F155-D171 PolarHBondContact N-OD2 3.25Å; Q156-D171 PolarHBondContact N-OD2 3.37Å; H169-D171 PolarHBondContact O-N 3.3Å
172S91Very high91.1Very high97 Ų9753.7 Ų53.768%0.67828%0.282SS*.THydrogen-bonded Turntrans-121.3-20.8179.6-58.20000113H169 P170H169-S172 PolarHBondContact O-N 3.28Å; P170-S172 VanDerWaalsContact C-N 3.28Å; P170-S172 PolarHBondContact O-N 3.04Å
173V92.7Very high92.3Very high24 Ų2455.9 Ų55.915%0.14529%0.288CS..SBendtrans-90.3117.6179.6-178.90000110.7P143 L167 P168 H169 K177 R178 L181P143-V173 VanDerWaalsContact CB-O 3.25Å; P143-V173 WeakPolarHBondContact CB-O 3.19Å; L167-V173 HydrophobicContact CD1-CB 4.03Å; L167-V173 HydrophobicContact CD1-CG1 3.92Å; L167-V173 HydrophobicContact CD1-CG2 4.21Å; P168-V173 WeakPolarHBondContact O-CG2 3.41Å; H169-V173 PolarHBondContact O-N 2.84Å; V173-K177 HydrophobicContact CG1-CB 4.2Å; V173-R178 HydrophobicContact CG1-CG 3.95Å; V173-R178 PolarHBondContact O-NE 2.75Å; V173-R178 PolarHBondContact O-NH2 2.69Å; V173-L181 HydrophobicContact CG1-CD1 3.74Å; V173-L181 HydrophobicContact CG2-CD1 4.4Å
174D91.8Very high93.2Very high84 Ų8452.6 Ų52.645%0.44928%0.279SS..  trans-55.9142173.3-172.7-77.9000112F176 K177 R178D174-F176 VanDerWaalsContact C-N 3.25Å; D174-F176 PolarHBondContact O-N 3.39Å; D174-F176 WeakPolarHBondContact OD1-CB 3.27Å; D174-F176 WeakPolarHBondContact OD1-CD2 3.5Å; D174-F176 PolarHBondContact OD1-N 3.41Å; D174-K177 HydrophobicContact CB-CB 4.49Å; D174-K177 PolarHBondContact O-N 2.89Å; D174-R178 WeakPolarHBondContact O-CG 3.26Å; D174-R178 PolarHBondContact O-N 3.49Å
175V91Very high94Very high33 Ų3354 Ų5420%0.229%0.286CS..Hα-helixtrans-54.1-41.4-178-178.80000111.8K177 R178 V298V175-K177 VanDerWaalsContact C-N 3.25Å; V175-K177 PolarHBondContact O-N 3.37Å; V175-R178 PolarHBondContact O-N 3.25Å; V175-V298 HydrophobicContact CG1-CB 4.1Å; V175-V298 HydrophobicContact CG1-CG2 3.86Å
176F88.3Confident94.2Very high98 Ų9853.4 Ų53.443%0.4328%0.282SS..Hα-helixtrans-70.3-22.1-178.1-59.1-68.3000112.9I131 D174I131-F176 HydrophobicContact CG2-CE1 4.19Å; I131-F176 HydrophobicContact CG2-CZ 3.75Å; D174-F176 VanDerWaalsContact C-N 3.25Å; D174-F176 PolarHBondContact O-N 3.39Å; D174-F176 WeakPolarHBondContact OD1-CB 3.27Å; D174-F176 WeakPolarHBondContact OD1-CD2 3.5Å; D174-F176 PolarHBondContact OD1-N 3.41Å
177K93.9Very high94.4Very high98 Ų9857.7 Ų57.743%0.42630%0.301SS..Hα-helixtrans-86.3-21.4-179.3-165.759.9177.1-179.40113.3V173 D174 V175 S179 E180 L181V173-K177 HydrophobicContact CG1-CB 4.2Å; D174-K177 HydrophobicContact CB-CB 4.49Å; D174-K177 PolarHBondContact O-N 2.89Å; V175-K177 VanDerWaalsContact C-N 3.25Å; V175-K177 PolarHBondContact O-N 3.37Å; K177-S179 VanDerWaalsContact C-N 3.33Å; K177-S179 PolarHBondContact O-N 2.92Å; K177-E180 WeakPolarHBondContact CD-OE2 3.34Å; K177-E180 WeakPolarHBondContact CE-OE2 3.49Å; K177-E180 IonicContact NZ-OE2 3.76Å; K177-E180 PolarHBondContact NZ-OE2 2.76Å; K177-E180 PolarHBondContact O-N 2.91Å; K177-L181 HydrophobicContact CG-CD1 3.94Å; K177-L181 HydrophobicContact CG-CG 4.1Å; K177-L181 PolarHBondContact O-N 3.23Å; K177-L181 VanDerWaalsContact O-N 3.14Å
178R96.1Very high94.5Very high0 Ų066 Ų660%034%0.337CS..Hα-helixtrans-57-45.1-175.6-63.9175.5-173.2169.53.2112.1T144 L167 V173 D174 V175 E180 L181 R182 W295 F296T144-R178 VanDerWaalsContact O-CZ 3.27Å; T144-R178 PolarHBondContact O-NH1 2.8Å; T144-R178 PolarHBondContact O-NH2 2.99Å; L167-R178 HydrophobicContact CD1-CG 4.01Å; L167-R178 HydrophobicContact CD2-CG 3.99Å; V173-R178 HydrophobicContact CG1-CG 3.95Å; V173-R178 PolarHBondContact O-NE 2.75Å; V173-R178 PolarHBondContact O-NH2 2.69Å; D174-R178 WeakPolarHBondContact O-CG 3.26Å; D174-R178 PolarHBondContact O-N 3.49Å; V175-R178 PolarHBondContact O-N 3.25Å; R178-E180 VanDerWaalsContact C-N 3.33Å; R178-E180 PolarHBondContact O-N 2.75Å; R178-L181 PolarHBondContact O-N 2.91Å; R178-R182 VanDerWaalsContact O-CB 3.24Å; R178-R182 WeakPolarHBondContact O-CB 3.11Å; R178-R182 PolarHBondContact O-N 3.37Å; R178-W295 WeakPolarHBondContact CD-O 3.34Å; R178-F296 WeakPolarHBondContact CD-O 3.44Å; R178-F296 PolarHBondContact NH1-O 3.45Å
179S95.6Very high94.9Very high26 Ų2666.4 Ų66.418%0.18233%0.332CS..Hα-helixtrans-61.3-40.8-177.9-151.10000112.9K177 R182 K183 E297K177-S179 VanDerWaalsContact C-N 3.33Å; K177-S179 PolarHBondContact O-N 2.92Å; S179-R182 PolarHBondContact OG-NH2 3.02Å; S179-K183 VanDerWaalsContact O-CG 3.31Å; S179-K183 WeakPolarHBondContact O-CG 3.42Å; S179-K183 PolarHBondContact O-N 3.29Å; S179-K183 VanDerWaalsContact O-N 3.13Å; S179-E297 WeakPolarHBondContact CA-OE2 3.3Å; S179-E297 WeakPolarHBondContact CB-OE1 3.34Å; S179-E297 PolarHBondContact N-OE2 2.72Å; S179-E297 PolarHBondContact OG-OE1 2.96Å
180E96Very high95.3Very high108 Ų10861.3 Ų61.351%0.50531%0.308SS..Hα-helixtrans-68.6-46.9178.2-63.9-176168.800111.5K177 R178 R182 K183 V184K177-E180 WeakPolarHBondContact CD-OE2 3.34Å; K177-E180 WeakPolarHBondContact CE-OE2 3.49Å; K177-E180 IonicContact NZ-OE2 3.76Å; K177-E180 PolarHBondContact NZ-OE2 2.76Å; K177-E180 PolarHBondContact O-N 2.91Å; R178-E180 VanDerWaalsContact C-N 3.33Å; R178-E180 PolarHBondContact O-N 2.75Å; E180-R182 VanDerWaalsContact C-N 3.33Å; E180-R182 PolarHBondContact O-N 2.96Å; E180-K183 PolarHBondContact O-N 3Å; E180-V184 WeakPolarHBondContact O-CG2 3.18Å; E180-V184 PolarHBondContact O-N 3.36Å; E180-V184 VanDerWaalsContact O-N 3.16Å
181L97.8Very high95.6Very high65 Ų6565.7 Ų65.734%0.3433%0.33SS..Hα-helixtrans-62.6-41.8178.4-68.8172.5000111.8V173 K177 R178 K183 V184 D185 W295V173-L181 HydrophobicContact CG1-CD1 3.74Å; V173-L181 HydrophobicContact CG2-CD1 4.4Å; K177-L181 HydrophobicContact CG-CD1 3.94Å; K177-L181 HydrophobicContact CG-CG 4.1Å; K177-L181 PolarHBondContact O-N 3.23Å; K177-L181 VanDerWaalsContact O-N 3.14Å; R178-L181 PolarHBondContact O-N 2.91Å; L181-K183 PolarHBondContact O-N 2.97Å; L181-V184 PolarHBondContact O-N 2.75Å; L181-D185 PolarHBondContact O-N 2.71Å; L181-W295 HydrophobicContact CB-CH2 4.27Å; L181-W295 HydrophobicContact CB-CZ3 3.77Å
182R97.7Very high95.9Very high4 Ų467.6 Ų67.62%0.01534%0.343CS..Hα-helixtrans-57.3-47.9175.2-179.6-171.862-168.8-16.5111.4R178 S179 E180 V184 D185 E186 W295 E297 Y299 S308R178-R182 VanDerWaalsContact O-CB 3.24Å; R178-R182 WeakPolarHBondContact O-CB 3.11Å; R178-R182 PolarHBondContact O-N 3.37Å; S179-R182 PolarHBondContact OG-NH2 3.02Å; E180-R182 VanDerWaalsContact C-N 3.33Å; E180-R182 PolarHBondContact O-N 2.96Å; R182-V184 VanDerWaalsContact C-N 3.34Å; R182-V184 PolarHBondContact O-N 3.48Å; R182-D185 PolarHBondContact O-N 2.81Å; R182-E186 VanDerWaalsContact CD-OE1 3.3Å; R182-E186 WeakPolarHBondContact CD-OE1 3.28Å; R182-E186 HydrophobicContact CG-CG 4.36Å; R182-E186 WeakPolarHBondContact CG-OE1 3.48Å; R182-E186 IonicContact NE-OE1 3.17Å; R182-E186 WeakPolarHBondContact O-CB 3.37Å; R182-E186 VanDerWaalsContact O-CG 3.28Å; R182-E186 WeakPolarHBondContact O-CG 3.34Å; R182-E186 PolarHBondContact O-N 2.76Å; R182-W295 HydrophobicContact CB-CD2 3.55Å; R182-W295 HydrophobicContact CB-CE3 3.61Å; R182-W295 HydrophobicContact CB-CG 4.03Å; R182-W295 HydrophobicContact CB-CH2 4.3Å; R182-W295 HydrophobicContact CB-CZ2 4.26Å; R182-W295 HydrophobicContact CB-CZ3 4Å; R182-W295 HydrophobicContact CG-CD2 3.71Å; R182-W295 HydrophobicContact CG-CE3 4.31Å; R182-W295 HydrophobicContact CG-CG 3.77Å; R182-W295 HydrophobicContact CG-CZ2 4.46Å; R182-E297 IonicContact CZ-OE1 2.66Å; R182-E297 IonicContact CZ-OE2 2.89Å; R182-E297 VanDerWaalsContact CZ-OE2 3.32Å; R182-E297 IonicContact NE-OE2 3.88Å; R182-E297 IonicContact NH1-OE1 3.11Å; R182-E297 IonicContact NH1-OE2 2.98Å; R182-E297 PolarHBondContact NH1-OE2 3.39Å; R182-E297 IonicContact NH2-OE1 3.73Å; R182-E297 PolarHBondContact NH2-OE1 2.85Å; R182-E297 IonicContact NH2-OE2 2.65Å; R182-E297 PolarHBondContact NH2-OE2 3.19Å; R182-Y299 PolarHBondContact NH1-OH 2.78Å; R182-S308 VanDerWaalsContact CZ-OG 3.29Å; R182-S308 PolarHBondContact NH1-OG 3.31Å
183K97.9Very high96.1Very high94 Ų9469.4 Ų69.441%0.40935%0.345SS..Hα-helixtrans-61.4-42.5-179.6-75.3174.1-176.3-1800111.9S179 E180 L181 D185 E186 E187 R311S179-K183 VanDerWaalsContact O-CG 3.31Å; S179-K183 WeakPolarHBondContact O-CG 3.42Å; S179-K183 PolarHBondContact O-N 3.29Å; S179-K183 VanDerWaalsContact O-N 3.13Å; E180-K183 PolarHBondContact O-N 3Å; L181-K183 PolarHBondContact O-N 2.97Å; K183-D185 VanDerWaalsContact C-N 3.34Å; K183-D185 PolarHBondContact O-N 3.41Å; K183-E186 PolarHBondContact O-N 2.93Å; K183-E187 WeakPolarHBondContact O-CB 3.39Å; K183-E187 PolarHBondContact O-N 3.25Å; K183-R311 PolarHBondContact O-NH2 2.85Å
184V98.1Very high96.4Very high95 Ų9570.8 Ų70.858%0.57635%0.35SS*.Hα-helixtrans-61.8-42.1176.1173.40000111.4E180 L181 R182 K188E180-V184 WeakPolarHBondContact O-CG2 3.18Å; E180-V184 PolarHBondContact O-N 3.36Å; E180-V184 VanDerWaalsContact O-N 3.16Å; L181-V184 PolarHBondContact O-N 2.75Å; R182-V184 VanDerWaalsContact C-N 3.34Å; R182-V184 PolarHBondContact O-N 3.48Å; V184-K188 WeakPolarHBondContact O-CB 3.41Å; V184-K188 PolarHBondContact O-N 3.33Å; V184-K188 VanDerWaalsContact O-N 3.11Å
185D98.1Very high96.6Very high35 Ų3566.9 Ų66.919%0.18733%0.328CS..Hα-helixtrans-67.9-40.7178-178.371.6000112.6L181 R182 K183 K188 K189 W295 Y316L181-D185 PolarHBondContact O-N 2.71Å; R182-D185 PolarHBondContact O-N 2.81Å; K183-D185 VanDerWaalsContact C-N 3.34Å; K183-D185 PolarHBondContact O-N 3.41Å; D185-K188 PolarHBondContact O-N 2.79Å; D185-K189 WeakPolarHBondContact O-CG 3.28Å; D185-K189 PolarHBondContact O-N 3.21Å; D185-K189 VanDerWaalsContact O-N 3.13Å; D185-K189 WeakPolarHBondContact OD1-CE 3.43Å; D185-K189 IonicContact OD1-NZ 2.99Å; D185-K189 PolarHBondContact OD1-NZ 2.71Å; D185-K189 WeakPolarHBondContact OD2-CE 3.44Å; D185-K189 IonicContact OD2-NZ 2.75Å; D185-K189 PolarHBondContact OD2-NZ 3.03Å; D185-W295 HydrophobicContact CB-CH2 4Å; D185-W295 HydrophobicContact CB-CZ2 3.72Å; D185-Y316 PolarHBondContact OD2-OH 3.29Å
186E98.4Very high96.9Very high1 Ų166.6 Ų66.61%0.00533%0.326CS..Hα-helixtrans-61.5-46.8174.4-73.2164.9-178.900111.9R182 K183 K188 K189 F190 R311 R312 T315 Y316R182-E186 VanDerWaalsContact CD-OE1 3.3Å; R182-E186 WeakPolarHBondContact CD-OE1 3.28Å; R182-E186 HydrophobicContact CG-CG 4.36Å; R182-E186 WeakPolarHBondContact CG-OE1 3.48Å; R182-E186 IonicContact NE-OE1 3.17Å; R182-E186 WeakPolarHBondContact O-CB 3.37Å; R182-E186 VanDerWaalsContact O-CG 3.28Å; R182-E186 WeakPolarHBondContact O-CG 3.34Å; R182-E186 PolarHBondContact O-N 2.76Å; K183-E186 PolarHBondContact O-N 2.93Å; E186-K188 VanDerWaalsContact C-N 3.3Å; E186-K188 PolarHBondContact O-N 2.96Å; E186-K189 CarbonylContact O-C 3.52Å; E186-K189 PolarHBondContact O-N 2.94Å; E186-K189 VanDerWaalsContact O-N 3.11Å; E186-F190 PolarHBondContact O-N 3.28Å; E186-R311 IonicContact OE2-CZ 3.72Å; E186-R311 IonicContact OE2-NE 3.53Å; E186-R311 PolarHBondContact OE2-NE 3.43Å; E186-R311 IonicContact OE2-NH2 2.92Å; E186-R312 HydrophobicContact CG-CG 4.3Å; E186-R312 WeakPolarHBondContact OE1-CD 3.25Å; E186-R312 WeakPolarHBondContact OE1-CG 3.39Å; E186-R312 IonicContact OE1-CZ 3.26Å; E186-R312 IonicContact OE1-NH1 2.96Å; E186-R312 PolarHBondContact OE1-NH1 3.42Å; E186-T315 WeakPolarHBondContact O-CG2 3.43Å; E186-Y316 HydrophobicContact CG-CE2 4Å
187E98.1Very high97.3Very high119 Ų11963.9 Ų63.956%0.55632%0.322SS*.Hα-helixtrans-60.4-41.7178.1-175178.9-179.200111.4K183 K189 F190K183-E187 WeakPolarHBondContact O-CB 3.39Å; K183-E187 PolarHBondContact O-N 3.25Å; E187-K189 VanDerWaalsContact C-N 3.27Å; E187-K189 PolarHBondContact O-N 3.24Å; E187-F190 PolarHBondContact O-N 3.36Å
188K98.1Very high97.5Very high178 Ų17859.8 Ų59.877%0.77430%0.304SS*.Hα-helixtrans-63.4-31.8176.1-177.6-178.9176.3-174.60113.1V184 D185 E186V184-K188 WeakPolarHBondContact O-CB 3.41Å; V184-K188 PolarHBondContact O-N 3.33Å; V184-K188 VanDerWaalsContact O-N 3.11Å; D185-K188 PolarHBondContact O-N 2.79Å; E186-K188 VanDerWaalsContact C-N 3.3Å; E186-K188 PolarHBondContact O-N 2.96Å
189K98.1Very high97.5Very high81 Ų8163 Ų6335%0.35232%0.317SS..Hα-helixtrans-95-8.9-176.8-69.6176.7-173.2156.80113.2D185 E186 E187 L191 T315 Y316D185-K189 WeakPolarHBondContact O-CG 3.28Å; D185-K189 PolarHBondContact O-N 3.21Å; D185-K189 VanDerWaalsContact O-N 3.13Å; D185-K189 WeakPolarHBondContact OD1-CE 3.43Å; D185-K189 IonicContact OD1-NZ 2.99Å; D185-K189 PolarHBondContact OD1-NZ 2.71Å; D185-K189 WeakPolarHBondContact OD2-CE 3.44Å; D185-K189 IonicContact OD2-NZ 2.75Å; D185-K189 PolarHBondContact OD2-NZ 3.03Å; E186-K189 CarbonylContact O-C 3.52Å; E186-K189 PolarHBondContact O-N 2.94Å; E186-K189 VanDerWaalsContact O-N 3.11Å; E187-K189 VanDerWaalsContact C-N 3.27Å; E187-K189 PolarHBondContact O-N 3.24Å; K189-L191 PolarHBondContact O-N 2.9Å; K189-T315 HydrophobicContact CB-CG2 3.84Å; K189-Y316 HydrophobicContact CB-CE1 4.27Å; K189-Y316 HydrophobicContact CD-CE1 3.6Å
190F98.5Very high97.5Very high25 Ų2565 Ų6511%0.1132%0.323CS..  trans-67124.4178.2179.2-113.6000110.5E186 E187 V192 Y195 L314 T315 L405 L407 I410E186-F190 PolarHBondContact O-N 3.28Å; E187-F190 PolarHBondContact O-N 3.36Å; F190-V192 HydrophobicContact CD1-CG2 4.45Å; F190-V192 HydrophobicContact CE1-CG2 4.11Å; F190-Y195 HydrophobicContact CE2-CD2 4.41Å; F190-Y195 HydrophobicContact CE2-CG 4.23Å; F190-Y195 HydrophobicContact CZ-CD1 4.43Å; F190-Y195 HydrophobicContact CZ-CG 4.03Å; F190-L314 WeakPolarHBondContact CD2-O 3.34Å; F190-L314 HydrophobicContact CE2-CB 4.44Å; F190-L314 WeakPolarHBondContact CE2-O 3.26Å; F190-T315 HydrophobicContact CB-CG2 4.46Å; F190-L405 HydrophobicContact CB-CD2 4.06Å; F190-L405 HydrophobicContact CD1-CB 4.38Å; F190-L405 HydrophobicContact CD1-CD2 4.08Å; F190-L405 HydrophobicContact CD2-CD1 3.88Å; F190-L405 HydrophobicContact CE1-CB 4.21Å; F190-L405 HydrophobicContact CE2-CD1 4.09Å; F190-L405 HydrophobicContact CG-CD1 4.14Å; F190-L405 HydrophobicContact CG-CD2 3.98Å; F190-L405 HydrophobicContact CZ-CB 4.44Å; F190-L407 HydrophobicContact CE1-CD2 4.42Å; F190-L407 HydrophobicContact CE2-CD2 4.31Å; F190-L407 HydrophobicContact CZ-CD2 3.68Å; F190-I410 HydrophobicContact CE1-CD1 3.66Å; F190-I410 HydrophobicContact CZ-CD1 4.22Å
191L98.2Very high97.4Very high95 Ų9566.1 Ų66.150%0.49733%0.328SS..  trans-110.1108.7-179.1-60.2-179.5000109.8K189 D193 H194 Y195K189-L191 PolarHBondContact O-N 2.9Å; L191-D193 PolarHBondContact O-N 3.22Å; L191-H194 HydrophobicContact CB-CB 3.98Å; L191-H194 PolarHBondContact O-N 3.27Å; L191-Y195 PolarHBondContact O-N 3.19Å
192V97.9Very high97.1Very high60 Ų6064.6 Ų64.636%0.36432%0.322SS..Hα-helixtrans-55.6-48.8-179.4177.20000111.6F190 H194 Y195 L196 I410F190-V192 HydrophobicContact CD1-CG2 4.45Å; F190-V192 HydrophobicContact CE1-CG2 4.11Å; V192-H194 VanDerWaalsContact C-N 3.31Å; V192-H194 PolarHBondContact O-N 3.22Å; V192-Y195 PolarHBondContact O-N 3.42Å; V192-L196 HydrophobicContact CG1-CD1 4.04Å; V192-L196 HydrophobicContact CG1-CG 4.38Å; V192-L196 WeakPolarHBondContact O-CG 3.26Å; V192-L196 PolarHBondContact O-N 2.82Å; V192-I410 HydrophobicContact CG1-CD1 4.32Å; V192-I410 HydrophobicContact CG1-CG1 4.19Å; V192-I410 HydrophobicContact CG1-CG2 3.66Å; V192-I410 HydrophobicContact CG2-CD1 3.95Å; V192-I410 HydrophobicContact CG2-CG1 4.48Å
193D96.5Very high96.9Very high134 Ų13471 Ų7172%0.71736%0.357SS*.Hα-helixtrans-62.1-39.8-177.2-61.1-17.9000111.9L191 L196 A197L191-D193 PolarHBondContact O-N 3.22Å; D193-L196 PolarHBondContact O-N 3.34Å; D193-A197 WeakPolarHBondContact O-CB 3.47Å; D193-A197 PolarHBondContact O-N 2.85Å
194H97.4Very high96.6Very high54 Ų5469.6 Ų69.625%0.2536%0.359CS..Hα-helixtrans-68.1-41.9177.8-168.4-47.1000111.5L191 V192 L196 A197 D198 L318 R320L191-H194 HydrophobicContact CB-CB 3.98Å; L191-H194 PolarHBondContact O-N 3.27Å; V192-H194 VanDerWaalsContact C-N 3.31Å; V192-H194 PolarHBondContact O-N 3.22Å; H194-L196 VanDerWaalsContact C-N 3.33Å; H194-A197 PolarHBondContact O-N 3.12Å; H194-D198 IonicContact CE1-OD2 3.82Å; H194-D198 PolarHBondContact CE1-OD2 2.69Å; H194-D198 VanDerWaalsContact CE1-OD2 3.26Å; H194-D198 IonicContact ND1-OD2 2.85Å; H194-D198 PolarHBondContact ND1-OD2 3.11Å; H194-D198 PolarHBondContact O-N 2.98Å; H194-L318 PolarHBondContact CE1-O 3.2Å; H194-R320 VanDerWaalsContact CD2-CZ 3.48Å; H194-R320 WeakPolarHBondContact ND1-CD 3.24Å
195Y98Very high96.4Very high1 Ų165.4 Ų65.40%0.00433%0.333CS..Hα-helixtrans-60.4-44.5174.3172.4-99.6000111.5F190 L191 V192 D198 Y199 L314 R320 L407 I410 E411F190-Y195 HydrophobicContact CE2-CD2 4.41Å; F190-Y195 HydrophobicContact CE2-CG 4.23Å; F190-Y195 HydrophobicContact CZ-CD1 4.43Å; F190-Y195 HydrophobicContact CZ-CG 4.03Å; L191-Y195 PolarHBondContact O-N 3.19Å; V192-Y195 PolarHBondContact O-N 3.42Å; Y195-D198 PolarHBondContact O-N 3.27Å; Y195-Y199 VanDerWaalsContact O-CB 3.32Å; Y195-Y199 WeakPolarHBondContact O-CB 3.48Å; Y195-Y199 PolarHBondContact O-N 3.34Å; Y195-L314 HydrophobicContact CD2-CD2 4.02Å; Y195-L314 HydrophobicContact CE2-CD1 4.42Å; Y195-L314 HydrophobicContact CE2-CD2 3.8Å; Y195-R320 WeakPolarHBondContact CD2-O 3.27Å; Y195-L407 HydrophobicContact CD1-CD2 4.32Å; Y195-L407 HydrophobicContact CD2-CD2 4.39Å; Y195-L407 HydrophobicContact CE1-CD2 3.99Å; Y195-L407 HydrophobicContact CE2-CD1 4.49Å; Y195-L407 HydrophobicContact CE2-CD2 4.09Å; Y195-I410 HydrophobicContact CD1-CG2 3.99Å; Y195-I410 HydrophobicContact CE1-CG2 4.33Å; Y195-E411 HydrophobicContact CE1-CG 3.96Å; Y195-E411 PolarHBondContact OH-OE1 2.63Å
196L97.4Very high96.2Very high28 Ų2867 Ų6715%0.14734%0.34CS..Hα-helixtrans-66.1-37.2178.5-73.2-178.4000112.3V192 D193 H194 Y199 F200 I410V192-L196 HydrophobicContact CG1-CD1 4.04Å; V192-L196 HydrophobicContact CG1-CG 4.38Å; V192-L196 WeakPolarHBondContact O-CG 3.26Å; V192-L196 PolarHBondContact O-N 2.82Å; D193-L196 PolarHBondContact O-N 3.34Å; H194-L196 VanDerWaalsContact C-N 3.33Å; L196-Y199 WeakPolarHBondContact O-CB 3.47Å; L196-Y199 PolarHBondContact O-N 3.34Å; L196-F200 HydrophobicContact CB-CD2 4.3Å; L196-F200 HydrophobicContact CB-CE2 4.34Å; L196-F200 HydrophobicContact CD2-CE2 3.86Å; L196-F200 WeakPolarHBondContact O-CD2 3.47Å; L196-F200 PolarHBondContact O-N 3.48Å; L196-I410 HydrophobicContact CD1-CG2 4.09Å; L196-I410 HydrophobicContact CD2-CG2 3.58Å; L196-I410 HydrophobicContact CG-CG2 3.77Å
197A96.1Very high96Very high41 Ų4170.7 Ų70.734%0.33936%0.358SS..Hα-helixtrans-57-52.1173.700000110.9D193 H194 Y199 F200 E201D193-A197 WeakPolarHBondContact O-CB 3.47Å; D193-A197 PolarHBondContact O-N 2.85Å; H194-A197 PolarHBondContact O-N 3.12Å; A197-Y199 PolarHBondContact O-N 3.07Å; A197-F200 PolarHBondContact O-N 3.07Å; A197-E201 WeakPolarHBondContact O-CA 3.15Å; A197-E201 VanDerWaalsContact O-CB 3.29Å; A197-E201 WeakPolarHBondContact O-CB 3.4Å; A197-E201 PolarHBondContact O-N 3Å
198D97.1Very high95.9Very high12 Ų1265.9 Ų65.96%0.06434%0.335CS..Hα-helixtrans-66.4-26.2177.7-72-43.9000113.6H194 Y195 W205 R320H194-D198 IonicContact CE1-OD2 3.82Å; H194-D198 PolarHBondContact CE1-OD2 2.69Å; H194-D198 VanDerWaalsContact CE1-OD2 3.26Å; H194-D198 IonicContact ND1-OD2 2.85Å; H194-D198 PolarHBondContact ND1-OD2 3.11Å; H194-D198 PolarHBondContact O-N 2.98Å; Y195-D198 PolarHBondContact O-N 3.27Å; D198-W205 WeakPolarHBondContact O-CZ2 3.27Å; D198-W205 PolarHBondContact O-NE1 3.38Å; D198-R320 WeakPolarHBondContact OD2-CA 3.42Å; D198-R320 WeakPolarHBondContact OD2-CB 3.35Å; D198-R320 PolarHBondContact OD2-N 2.96Å
199Y96.6Very high95.7Very high68 Ų6858.8 Ų58.827%0.26731%0.307SS..Hα-helixtrans-72.8-43.2177.6178.9-93.8000112.5Y195 L196 A197 E411 H415Y195-Y199 VanDerWaalsContact O-CB 3.32Å; Y195-Y199 WeakPolarHBondContact O-CB 3.48Å; Y195-Y199 PolarHBondContact O-N 3.34Å; L196-Y199 WeakPolarHBondContact O-CB 3.47Å; L196-Y199 PolarHBondContact O-N 3.34Å; A197-Y199 PolarHBondContact O-N 3.07Å; Y199-E411 HydrophobicContact CD2-CG 4.03Å; Y199-E411 HydrophobicContact CE1-CB 4.5Å; Y199-E411 HydrophobicContact CE1-CG 4.24Å; Y199-E411 VanDerWaalsContact CE2-CD 3.48Å; Y199-E411 HydrophobicContact CE2-CG 3.66Å; Y199-E411 HydrophobicContact CG-CG 4.44Å; Y199-H415 AromaticContact CE1-NE2 3.47Å; Y199-H415 WeakPolarHBondContact CE1-NE2 3.49Å; Y199-H415 AromaticContact CZ-NE2 3.67Å; Y199-H415 PolarHBondContact OH-NE2 3.49Å
200F95.7Very high95.3Very high68 Ų6860.7 Ų60.730%0.29832%0.321SS..Hα-helixtrans-90.4-32.5-178.2-69.1-63.1000113.4L196 A197 G414 H415 L418L196-F200 HydrophobicContact CB-CD2 4.3Å; L196-F200 HydrophobicContact CB-CE2 4.34Å; L196-F200 HydrophobicContact CD2-CE2 3.86Å; L196-F200 WeakPolarHBondContact O-CD2 3.47Å; L196-F200 PolarHBondContact O-N 3.48Å; A197-F200 PolarHBondContact O-N 3.07Å; F200-G414 VanDerWaalsContact CZ-C 3.47Å; F200-H415 AromaticContact CE1-CE1 3.64Å; F200-H415 AromaticContact CE1-ND1 3.74Å; F200-L418 HydrophobicContact CB-CD1 4.47Å; F200-L418 HydrophobicContact CD1-CD1 3.31Å; F200-L418 HydrophobicContact CD2-CD1 3.94Å; F200-L418 HydrophobicContact CE1-CD1 3.3Å; F200-L418 HydrophobicContact CE2-CD1 3.93Å; F200-L418 HydrophobicContact CG-CD1 3.66Å; F200-L418 HydrophobicContact CZ-CD1 3.64Å
201E93.5Very high95Very high131 Ų13160.9 Ų60.961%0.61232%0.323SS*.  trans-108.656.6-174-57.5-177.6-170.700111.9A197 D203 S204A197-E201 WeakPolarHBondContact O-CA 3.15Å; A197-E201 VanDerWaalsContact O-CB 3.29Å; A197-E201 WeakPolarHBondContact O-CB 3.4Å; A197-E201 PolarHBondContact O-N 3Å; E201-D203 PolarHBondContact O-N 3.1Å; E201-D203 VanDerWaalsContact O-N 3.1Å; E201-S204 PolarHBondContact O-N 2.82Å; E201-S204 PolarHBondContact O-OG 3.24Å
202S92.6Very high94.6Very high33 Ų3362 Ų6223%0.23133%0.329CS..G310 helixtrans-63-19.4-176.657.80000114.6S204 W205 I206S202-S204 PolarHBondContact O-N 2.73Å; S202-S204 VanDerWaalsContact O-N 3.13Å; S202-W205 PolarHBondContact O-N 2.7Å; S202-W205 VanDerWaalsContact O-N 3.11Å; S202-I206 VanDerWaalsContact O-CB 3.28Å; S202-I206 WeakPolarHBondContact O-CB 3.39Å; S202-I206 PolarHBondContact O-N 3.01Å
203D93.5Very high94.3Very high138 Ų13859.1 Ų59.174%0.73831%0.312SS*.G310 helixtrans-58.6-26.7179.8-68.7-12.6000112.5E201 W205E201-D203 PolarHBondContact O-N 3.1Å; E201-D203 VanDerWaalsContact O-N 3.1Å; D203-W205 VanDerWaalsContact C-N 3.3Å; D203-W205 PolarHBondContact O-N 3.33Å
204S90.4Very high94Very high65 Ų6554.5 Ų54.546%0.45529%0.289SS..G310 helixtrans-65.9-25.717862.10000114.2E201 S202 H207E201-S204 PolarHBondContact O-N 2.82Å; E201-S204 PolarHBondContact O-OG 3.24Å; S202-S204 PolarHBondContact O-N 2.73Å; S202-S204 VanDerWaalsContact O-N 3.13Å; S204-H207 PolarHBondContact O-CE1 2.97Å
205W94.6Very high93.7Very high6 Ų652.1 Ų52.12%0.02328%0.278CS..THydrogen-bonded Turntrans-133.7-2.7-17656.2-102000113.8D198 S202 D203 H207 M208 T209 V319 S321 K323 F324D198-W205 WeakPolarHBondContact O-CZ2 3.27Å; D198-W205 PolarHBondContact O-NE1 3.38Å; S202-W205 PolarHBondContact O-N 2.7Å; S202-W205 VanDerWaalsContact O-N 3.11Å; D203-W205 VanDerWaalsContact C-N 3.3Å; D203-W205 PolarHBondContact O-N 3.33Å; W205-H207 PolarHBondContact O-N 2.88Å; W205-H207 VanDerWaalsContact O-N 3.16Å; W205-M208 HydrophobicContact CB-CE 4.47Å; W205-M208 HydrophobicContact CB-SD 3.98Å; W205-M208 VanDerWaalsContact O-CB 3.3Å; W205-M208 WeakPolarHBondContact O-CB 3.27Å; W205-M208 PolarHBondContact O-N 3.46Å; W205-M208 VanDerWaalsContact O-N 3.07Å; W205-T209 HydrophobicContact CE3-CG2 3.91Å; W205-T209 HydrophobicContact CZ3-CG2 3.69Å; W205-V319 HydrophobicContact CB-CB 4.4Å; W205-V319 HydrophobicContact CB-CG1 3.85Å; W205-V319 HydrophobicContact CB-CG2 3.61Å; W205-V319 HydrophobicContact CD2-CG1 3.77Å; W205-V319 HydrophobicContact CE3-CG1 4.23Å; W205-V319 HydrophobicContact CG-CG1 3.56Å; W205-V319 HydrophobicContact CG-CG2 4.18Å; W205-S321 WeakPolarHBondContact CH2-OG 3.41Å; W205-S321 WeakPolarHBondContact CZ2-OG 3.41Å; W205-K323 HydrophobicContact CH2-CB 4.14Å; W205-F324 AromaticContact CE3-CD2 3.87Å; W205-F324 HydrophobicContact CE3-CD2 3.87Å; W205-F324 HydrophobicContact CZ3-CB 4.31Å; W205-F324 HydrophobicContact CZ3-CD2 4.13Å
206I94.5Very high93Very high68 Ų6854 Ų5435%0.34929%0.292SS..G310 helixtrans-59.5-31.3-176.5-166.963.7000112.7S202 M208 T209 N210S202-I206 VanDerWaalsContact O-CB 3.28Å; S202-I206 WeakPolarHBondContact O-CB 3.39Å; S202-I206 PolarHBondContact O-N 3.01Å; I206-M208 VanDerWaalsContact C-N 3.28Å; I206-M208 PolarHBondContact O-N 3.21Å; I206-T209 HydrophobicContact CD1-CG2 4.3Å; I206-T209 WeakPolarHBondContact O-CB 3.35Å; I206-T209 PolarHBondContact O-N 3.34Å; I206-T209 PolarHBondContact O-OG1 3.28Å; I206-N210 PolarHBondContact O-ND2 2.77Å
207H94.3Very high91.7Very high79 Ų7957.5 Ų57.537%0.36631%0.31SS..G310 helixtrans-60.3-37.4177.656.5-86000112.2S204 W205 T209 N210 E275S204-H207 PolarHBondContact O-CE1 2.97Å; W205-H207 PolarHBondContact O-N 2.88Å; W205-H207 VanDerWaalsContact O-N 3.16Å; H207-T209 PolarHBondContact O-N 3.01Å; H207-T209 VanDerWaalsContact O-N 3.1Å; H207-N210 PolarHBondContact O-N 2.88Å; H207-E275 IonicContact CD2-OE1 3.8Å; H207-E275 PolarHBondContact CD2-OE1 2.92Å; H207-E275 IonicContact CD2-OE2 3.45Å
208M95.1Very high89.8Confident18 Ų1859.2 Ų59.29%0.08931%0.313CS..G310 helixtrans-62.5-19.5175.9-54.5171.2-173.700112.9W205 I206 R272 V273 E275 V319 F324W205-M208 HydrophobicContact CB-CE 4.47Å; W205-M208 HydrophobicContact CB-SD 3.98Å; W205-M208 VanDerWaalsContact O-CB 3.3Å; W205-M208 WeakPolarHBondContact O-CB 3.27Å; W205-M208 PolarHBondContact O-N 3.46Å; W205-M208 VanDerWaalsContact O-N 3.07Å; I206-M208 VanDerWaalsContact C-N 3.28Å; I206-M208 PolarHBondContact O-N 3.21Å; M208-R272 WeakPolarHBondContact CB-O 3.38Å; M208-R272 PolarHBondContact O-NH1 3.37Å; M208-V273 HydrophobicContact SD-CB 4.43Å; M208-V273 HydrophobicContact SD-CG1 4.5Å; M208-V273 HydrophobicContact SD-CG2 4.25Å; M208-E275 HydrophobicContact CG-CG 4.46Å; M208-V319 HydrophobicContact CE-CG2 4.42Å; M208-V319 HydrophobicContact SD-CG2 3.77Å; M208-F324 HydrophobicContact CB-CE2 3.91Å; M208-F324 HydrophobicContact CB-CZ 4.28Å
209T93Very high87.8Confident30 Ų3067.2 Ų67.218%0.18435%0.347CS..G310 helixtrans-81.4-21.7176.273.10000113.7W205 I206 H207 R272 F324 L327W205-T209 HydrophobicContact CE3-CG2 3.91Å; W205-T209 HydrophobicContact CZ3-CG2 3.69Å; I206-T209 HydrophobicContact CD1-CG2 4.3Å; I206-T209 WeakPolarHBondContact O-CB 3.35Å; I206-T209 PolarHBondContact O-N 3.34Å; I206-T209 PolarHBondContact O-OG1 3.28Å; H207-T209 PolarHBondContact O-N 3.01Å; H207-T209 VanDerWaalsContact O-N 3.1Å; T209-R272 PolarHBondContact O-NH1 3.42Å; T209-F324 HydrophobicContact CG2-CD2 3.89Å; T209-F324 HydrophobicContact CG2-CE2 4.14Å; T209-L327 HydrophobicContact CG2-CD2 3.76Å
210N91.6Very high85.6Confident120 Ų12071.5 Ų71.564%0.64237%0.374SS*.SBendtrans-93.2-1.2-171.5-65.4-38.2000113.5I206 H207I206-N210 PolarHBondContact O-ND2 2.77Å; H207-N210 PolarHBondContact O-N 2.88Å
211I91.3Very high83.8Confident29 Ų2971.3 Ų71.315%0.14938%0.379CS..PPolyproline II helixtrans-72.4146.1176.474.5171.2000111.2Y271 R272 E275I211-Y271 HydrophobicContact CD1-CD1 3.9Å; I211-Y271 HydrophobicContact CD1-CE1 3.9Å; I211-R272 HydrophobicContact CD1-CB 4.37Å; I211-R272 HydrophobicContact CD1-CG 4.17Å; I211-R272 HydrophobicContact CG1-CG 4.45Å; I211-R272 PolarHBondContact O-NH1 2.86Å; I211-E275 HydrophobicContact CG2-CB 4.09Å; I211-E275 HydrophobicContact CG2-CG 4.06Å
212N89.3Confident82.5Confident118 Ų11870.4 Ų70.463%0.63138%0.379SS*.PPolyproline II helixtrans-85.4128.1171.8-65.7-47.3000109.9I217N212-I217 HydrophobicContact CB-CD1 4.18Å; N212-I217 HydrophobicContact CB-CG1 3.62Å
213L91.9Very high81.8Confident1 Ų170.5 Ų70.51%0.00538%0.379CS..PPolyproline II helixtrans-80144.6172.6-63.6168.2000109.6W215 S216 I217 I268 Y271 R272 D331L213-W215 VanDerWaalsContact C-N 3.26Å; L213-W215 HydrophobicContact CB-CD2 4.15Å; L213-W215 HydrophobicContact CB-CH2 4.37Å; L213-W215 HydrophobicContact CB-CZ2 4Å; L213-W215 HydrophobicContact CD1-CH2 4.44Å; L213-W215 HydrophobicContact CD1-CZ2 3.64Å; L213-W215 HydrophobicContact CD2-CH2 4.11Å; L213-W215 HydrophobicContact CD2-CZ2 4.12Å; L213-W215 HydrophobicContact CG-CZ2 4.13Å; L213-W215 PolarHBondContact O-N 3.04Å; L213-W215 VanDerWaalsContact O-N 3.15Å; L213-S216 WeakPolarHBondContact O-CA 3Å; L213-S216 WeakPolarHBondContact O-CB 2.83Å; L213-S216 PolarHBondContact O-N 3.32Å; L213-I217 WeakPolarHBondContact O-CG1 3.45Å; L213-I217 PolarHBondContact O-N 3.04Å; L213-I268 HydrophobicContact CD1-CG2 4.42Å; L213-Y271 HydrophobicContact CD2-CD1 3.39Å; L213-Y271 HydrophobicContact CD2-CE1 3.68Å; L213-Y271 HydrophobicContact CD2-CG 4.3Å; L213-R272 HydrophobicContact CD2-CG 4.47Å; L213-D331 HydrophobicContact CD1-CB 3.4Å; L213-D331 VanDerWaalsContact CD1-CB 3.4Å
214P90.6Very high81.5Confident36 Ų3666 Ų6623%0.23436%0.358CS..G310 helixtrans-52.6-40.7-176.9-30.737.4000114S216 Y271 W344P214-S216 VanDerWaalsContact C-N 3.29Å; P214-S216 PolarHBondContact O-N 2.82Å; P214-Y271 WeakPolarHBondContact CD-OH 3.44Å; P214-Y271 HydrophobicContact CG-CE2 4.24Å; P214-Y271 WeakPolarHBondContact CG-OH 3.49Å; P214-W344 HydrophobicContact CB-CH2 3.47Å; P214-W344 VanDerWaalsContact CB-CH2 3.47Å; P214-W344 HydrophobicContact CB-CZ3 3.46Å; P214-W344 VanDerWaalsContact CB-CZ3 3.46Å
215W90.8Very high81.6Confident4 Ų463.2 Ų63.22%0.01534%0.339CS..G310 helixtrans-81.1-0.317759.987.6000114.7L213 Y267 I268 D331 L335 W344L213-W215 VanDerWaalsContact C-N 3.26Å; L213-W215 HydrophobicContact CB-CD2 4.15Å; L213-W215 HydrophobicContact CB-CH2 4.37Å; L213-W215 HydrophobicContact CB-CZ2 4Å; L213-W215 HydrophobicContact CD1-CH2 4.44Å; L213-W215 HydrophobicContact CD1-CZ2 3.64Å; L213-W215 HydrophobicContact CD2-CH2 4.11Å; L213-W215 HydrophobicContact CD2-CZ2 4.12Å; L213-W215 HydrophobicContact CG-CZ2 4.13Å; L213-W215 PolarHBondContact O-N 3.04Å; L213-W215 VanDerWaalsContact O-N 3.15Å; W215-Y267 HydrophobicContact CH2-CE1 4.03Å; W215-Y267 HydrophobicContact CZ3-CE1 4.11Å; W215-I268 HydrophobicContact CH2-CD1 4.49Å; W215-I268 HydrophobicContact CH2-CG1 3.85Å; W215-I268 HydrophobicContact CZ2-CD1 4.03Å; W215-I268 HydrophobicContact CZ2-CG1 3.8Å; W215-I268 HydrophobicContact CZ2-CG2 4.33Å; W215-D331 PolarHBondContact NE1-O 2.71Å; W215-L335 HydrophobicContact CD2-CB 4.27Å; W215-L335 HydrophobicContact CD2-CD1 3.89Å; W215-L335 HydrophobicContact CD2-CG 4.24Å; W215-L335 HydrophobicContact CE3-CD1 3.99Å; W215-L335 HydrophobicContact CG-CB 4.25Å; W215-L335 HydrophobicContact CG-CG 4.4Å; W215-L335 HydrophobicContact CH2-CD1 3.96Å; W215-L335 HydrophobicContact CZ2-CB 4.44Å; W215-L335 HydrophobicContact CZ2-CD1 3.82Å; W215-L335 HydrophobicContact CZ3-CD1 4.03Å; W215-W344 HydrophobicContact CB-CD2 3.75Å; W215-W344 HydrophobicContact CB-CE3 4.25Å; W215-W344 HydrophobicContact CB-CG 4.01Å; W215-W344 HydrophobicContact CB-CZ2 4.14Å; W215-W344 AromaticContact CE3-CE3 4Å; W215-W344 HydrophobicContact CE3-CE3 4Å; W215-W344 HydrophobicContact CE3-CZ3 4.37Å
216S83.5Confident81.4Confident42 Ų4270.3 Ų70.329%0.29437%0.372SS..G310 helixtrans-106.8-16.5-179.5-630000113.8L213 P214 D218L213-S216 WeakPolarHBondContact O-CA 3Å; L213-S216 WeakPolarHBondContact O-CB 2.83Å; L213-S216 PolarHBondContact O-N 3.32Å; P214-S216 VanDerWaalsContact C-N 3.29Å; P214-S216 PolarHBondContact O-N 2.82Å; S216-D218 VanDerWaalsContact C-N 3.31Å; S216-D218 PolarHBondContact O-N 3.4Å
217I69.3Low81.4Confident101 Ų10167.3 Ų67.352%0.51836%0.357SS..SBendtrans-63.8-34.7-172.1-69.6163.8000111.9N212 L213N212-I217 HydrophobicContact CB-CD1 4.18Å; N212-I217 HydrophobicContact CB-CG1 3.62Å; L213-I217 WeakPolarHBondContact O-CG1 3.45Å; L213-I217 PolarHBondContact O-N 3.04Å
218D56.3Low81.5Confident76 Ų7666 Ų6641%0.40636%0.357SS..  trans-145.596.2-178.5-85.3-44.9000111.8S216 N220 T221S216-D218 VanDerWaalsContact C-N 3.31Å; S216-D218 PolarHBondContact O-N 3.4Å; D218-N220 PolarHBondContact O-N 3.05Å; D218-N220 VanDerWaalsContact O-N 3.12Å; D218-T221 HydrophobicContact CB-CG2 3.95Å; D218-T221 WeakPolarHBondContact CB-OG1 3.35Å; D218-T221 PolarHBondContact O-N 3.26Å; D218-T221 VanDerWaalsContact O-O 3.09Å
219K54.4Low81.4Confident181 Ų18168.4 Ų68.479%0.78738%0.375SS*.THydrogen-bonded Turntrans-60.7-17.3165.4-69.2-174.2176.6-174.60113
220N51.3Low81.4Confident157 Ų15773.2 Ų73.284%0.8440%0.4SS*.THydrogen-bonded Turntrans-95.7-16.9-175.2-73.9-11.2000113.8D218D218-N220 PolarHBondContact O-N 3.05Å; D218-N220 VanDerWaalsContact O-N 3.12Å
221T57.9Low81.7Confident64 Ų6468.1 Ų68.139%0.39337%0.372SS..SBendtrans-98129.8169.166.80000106.6D218 S223D218-T221 HydrophobicContact CB-CG2 3.95Å; D218-T221 WeakPolarHBondContact CB-OG1 3.35Å; D218-T221 PolarHBondContact O-N 3.26Å; D218-T221 VanDerWaalsContact O-O 3.09Å; T221-S223 PolarHBondContact O-N 2.85Å; T221-S223 WeakPolarHBondContact OG1-CB 3.37Å; T221-S223 PolarHBondContact OG1-OG 3.38Å
222N65.4Low81.9Confident113 Ų11368 Ų6860%0.60437%0.37SS*.  trans-68.752167-77.3-30.6000109.6S224 N340N222-S224 PolarHBondContact O-N 2.99Å; N222-N340 PolarHBondContact O-ND2 3.49Å
223S79.5Confident82.1Confident34 Ų3466.7 Ų66.724%0.23836%0.36CS..PPolyproline II helixtrans-65.9120.2-17452.60000109.2T221 H338 N340 W344T221-S223 PolarHBondContact O-N 2.85Å; T221-S223 WeakPolarHBondContact OG1-CB 3.37Å; T221-S223 PolarHBondContact OG1-OG 3.38Å; S223-H338 PolarHBondContact O-CE1 3.48Å; S223-H338 VanDerWaalsContact O-CE1 3.28Å; S223-N340 VanDerWaalsContact C-ND2 3.25Å; S223-N340 PolarHBondContact O-ND2 2.85Å; S223-W344 PolarHBondContact O-NE1 3.37Å
224S86.7Confident82.3Confident44 Ų4470.7 Ų70.731%0.30837%0.374SS..PPolyproline II helixtrans-88146.4167.9-160.50000107.2D88 N222 N340D88-S224 PolarHBondContact OD2-OG 2.96Å; N222-S224 PolarHBondContact O-N 2.99Å; S224-N340 PolarHBondContact N-ND2 3.29Å
225P92.2Very high82.5Confident7 Ų769 Ų695%0.04536%0.363CS..PPolyproline II helixtrans-59.5147.8169.423.8-32.1000111.2F227 Q343 W344 K347P225-F227 HydrophobicContact CG-CE2 4.04Å; P225-F227 HydrophobicContact CG-CZ 3.86Å; P225-Q343 HydrophobicContact CG-CB 3.71Å; P225-Q343 WeakPolarHBondContact CG-O 3.28Å; P225-W344 HydrophobicContact CB-CD2 4.14Å; P225-W344 HydrophobicContact CB-CE3 3.7Å; P225-W344 HydrophobicContact CB-CH2 3.98Å; P225-W344 HydrophobicContact CB-CZ2 4.4Å; P225-W344 HydrophobicContact CB-CZ3 3.61Å; P225-W344 HydrophobicContact CG-CD2 4.06Å; P225-W344 HydrophobicContact CG-CE3 4.05Å; P225-W344 HydrophobicContact CG-CG 4.45Å; P225-W344 HydrophobicContact CG-CZ3 4.41Å; P225-K347 HydrophobicContact CB-CB 3.83Å; P225-K347 HydrophobicContact CB-CD 4.29Å; P225-K347 HydrophobicContact CB-CG 3.92Å; P225-K347 HydrophobicContact CG-CB 4.03Å
226E90.8Very high82.7Confident154 Ų15469.3 Ų69.372%0.7237%0.366SS*.PPolyproline II helixtrans-87.1131.9169.4-171.5172.4-173.900110.6K347E226-K347 PolarHBondContact O-NZ 2.97Å
227F95.2Very high83.1Confident5 Ų570.2 Ų70.22%0.02237%0.369CS..PPolyproline II helixtrans-100131175.4-61.7-79.8000110.9D88 P225 E231 R232 L346 K347 L350D88-F227 HydrophobicContact CB-CD2 3.99Å; D88-F227 HydrophobicContact CB-CE2 3.6Å; P225-F227 HydrophobicContact CG-CE2 4.04Å; P225-F227 HydrophobicContact CG-CZ 3.86Å; F227-E231 WeakPolarHBondContact CA-OE2 3.2Å; F227-E231 HydrophobicContact CB-CB 4.32Å; F227-E231 HydrophobicContact CD1-CB 4.44Å; F227-R232 HydrophobicContact CB-CG 4.06Å; F227-R232 PolarHBondContact O-NH1 3.31Å; F227-R232 VanDerWaalsContact O-NH1 3.14Å; F227-R232 PolarHBondContact O-NH2 3.14Å; F227-L346 HydrophobicContact CE1-CD2 4.09Å; F227-L346 HydrophobicContact CE1-CG 4.04Å; F227-L346 HydrophobicContact CZ-CB 4.42Å; F227-L346 HydrophobicContact CZ-CD2 3.9Å; F227-L346 HydrophobicContact CZ-CG 4.18Å; F227-K347 HydrophobicContact CD1-CD 4.24Å; F227-K347 HydrophobicContact CE1-CB 4.12Å; F227-K347 HydrophobicContact CE1-CD 4.16Å; F227-K347 HydrophobicContact CZ-CB 4.48Å; F227-L350 HydrophobicContact CD1-CD1 3.72Å; F227-L350 HydrophobicContact CE1-CD1 3.71Å
228S94.6Very high84.3Confident53 Ų5365.9 Ų65.937%0.37135%0.347SS..PPolyproline II helixtrans-70.2165.9174.678.60000111.5D230 E231 R232S228-D230 VanDerWaalsContact C-N 3.27Å; S228-D230 PolarHBondContact O-N 2.86Å; S228-D230 PolarHBondContact OG-N 2.89Å; S228-E231 PolarHBondContact N-OE2 2.87Å; S228-E231 PolarHBondContact O-N 2.82Å; S228-E231 WeakPolarHBondContact OG-CG 3.14Å; S228-E231 PolarHBondContact OG-N 3.42Å; S228-E231 VanDerWaalsContact OG-N 3.16Å; S228-R232 WeakPolarHBondContact O-CG 3.25Å; S228-R232 PolarHBondContact O-N 2.61Å
229S93.1Very high85.9Confident67 Ų6763.2 Ų63.247%0.46933%0.334SS..Hα-helixtrans-60.1-37.5175.3-59.70000112.5R232 H233S229-R232 PolarHBondContact O-N 2.88Å; S229-H233 WeakPolarHBondContact O-CB 3.43Å; S229-H233 PolarHBondContact O-N 3.33Å
230D94.1Very high87.5Confident132 Ų13259.5 Ų59.571%0.70633%0.327SS*.Hα-helixtrans-68.9-39.7178.3-70.7-21.4000111.9S228 H233 R234S228-D230 VanDerWaalsContact C-N 3.27Å; S228-D230 PolarHBondContact O-N 2.86Å; S228-D230 PolarHBondContact OG-N 2.89Å; D230-H233 PolarHBondContact O-N 3.16Å; D230-R234 WeakPolarHBondContact O-CB 3.2Å; D230-R234 PolarHBondContact O-N 2.97Å
231E96.9Very high89.4Confident12 Ų1254.9 Ų54.96%0.05630%0.298CS..Hα-helixtrans-62.6-47.9173.2-75.1175.1140.500111F227 S228 H233 R234 L235 K347 L350F227-E231 WeakPolarHBondContact CA-OE2 3.2Å; F227-E231 HydrophobicContact CB-CB 4.32Å; F227-E231 HydrophobicContact CD1-CB 4.44Å; S228-E231 PolarHBondContact N-OE2 2.87Å; S228-E231 PolarHBondContact O-N 2.82Å; S228-E231 WeakPolarHBondContact OG-CG 3.14Å; S228-E231 PolarHBondContact OG-N 3.42Å; S228-E231 VanDerWaalsContact OG-N 3.16Å; E231-H233 PolarHBondContact O-N 3.44Å; E231-R234 WeakPolarHBondContact O-CA 3.36Å; E231-R234 WeakPolarHBondContact O-CB 3.46Å; E231-R234 PolarHBondContact O-N 3.03Å; E231-R234 VanDerWaalsContact O-N 3.1Å; E231-L235 WeakPolarHBondContact O-CG 3.32Å; E231-L235 PolarHBondContact O-N 3.18Å; E231-K347 WeakPolarHBondContact OE1-CD 3.32Å; E231-K347 WeakPolarHBondContact OE1-CE 3.44Å; E231-K347 IonicContact OE1-NZ 2.96Å; E231-K347 PolarHBondContact OE1-NZ 3.08Å; E231-K347 IonicContact OE2-NZ 3.39Å; E231-K347 PolarHBondContact OE2-NZ 3.48Å; E231-L350 HydrophobicContact CB-CD1 4.06Å; E231-L350 HydrophobicContact CG-CB 4.29Å; E231-L350 HydrophobicContact CG-CD1 4.11Å
232R95.4Very high90.9Very high28 Ų2861.1 Ų61.111%0.10631%0.314CS..Hα-helixtrans-60.4-45.3176.9-68.3-177.8-175.5118.44.1111.7I6 R8 I90 F227 S228 S229 R234 L235 I236I6-R232 HydrophobicContact CG2-CB 3.84Å; R8-R232 VanDerWaalsContact CD-CZ 3.41Å; I90-R232 HydrophobicContact CD1-CB 3.91Å; I90-R232 HydrophobicContact CD1-CG 3.87Å; F227-R232 HydrophobicContact CB-CG 4.06Å; F227-R232 PolarHBondContact O-NH1 3.31Å; F227-R232 VanDerWaalsContact O-NH1 3.14Å; F227-R232 PolarHBondContact O-NH2 3.14Å; S228-R232 WeakPolarHBondContact O-CG 3.25Å; S228-R232 PolarHBondContact O-N 2.61Å; S229-R232 PolarHBondContact O-N 2.88Å; R232-R234 PolarHBondContact O-N 3.19Å; R232-L235 PolarHBondContact O-N 2.93Å; R232-I236 WeakPolarHBondContact O-CG1 3.22Å; R232-I236 PolarHBondContact O-N 2.99Å
233H94.3Very high92.2Very high90 Ų9056.8 Ų56.842%0.41729%0.291SS..Hα-helixtrans-58.4-39.3175-177.966.7000111.9I6 S229 D230 E231 I236 T237I6-H233 HydrophobicContact CD1-CB 3.96Å; I6-H233 HydrophobicContact CG1-CB 4.17Å; S229-H233 WeakPolarHBondContact O-CB 3.43Å; S229-H233 PolarHBondContact O-N 3.33Å; D230-H233 PolarHBondContact O-N 3.16Å; E231-H233 PolarHBondContact O-N 3.44Å; H233-I236 PolarHBondContact O-N 2.88Å; H233-T237 PolarHBondContact O-N 3.24Å; H233-T237 PolarHBondContact O-OG1 3.36Å
234R95Very high92.8Very high84 Ų8456.8 Ų56.832%0.31729%0.29SS..Hα-helixtrans-65.1-44.3175.6-174.853.654.1-178.2-2.1112.2D230 E231 R232 I236 T237 L238 L350D230-R234 WeakPolarHBondContact O-CB 3.2Å; D230-R234 PolarHBondContact O-N 2.97Å; E231-R234 WeakPolarHBondContact O-CA 3.36Å; E231-R234 WeakPolarHBondContact O-CB 3.46Å; E231-R234 PolarHBondContact O-N 3.03Å; E231-R234 VanDerWaalsContact O-N 3.1Å; R232-R234 PolarHBondContact O-N 3.19Å; R234-I236 VanDerWaalsContact C-N 3.31Å; R234-I236 PolarHBondContact O-N 2.99Å; R234-T237 WeakPolarHBondContact O-CB 3.28Å; R234-T237 PolarHBondContact O-N 3.46Å; R234-L238 HydrophobicContact CG-CD1 3.97Å; R234-L238 HydrophobicContact CG-CG 4.43Å; R234-L238 WeakPolarHBondContact O-CB 3.39Å; R234-L238 WeakPolarHBondContact O-CG 3.28Å; R234-L238 PolarHBondContact O-N 3.43Å; R234-L350 HydrophobicContact CG-CD2 4.33Å
235L96.3Very high92.8Very high0 Ų061.5 Ų61.50%031%0.311CS..Hα-helixtrans-62.6-38.6177.5-64.6174.6000112I90 T91 E231 R232 L238 S239 L346 L350 I374I90-L235 HydrophobicContact CB-CB 3.95Å; I90-L235 HydrophobicContact CB-CD1 4.36Å; I90-L235 HydrophobicContact CD1-CB 4.19Å; I90-L235 HydrophobicContact CD1-CD1 4.02Å; I90-L235 HydrophobicContact CG1-CD1 4.3Å; I90-L235 HydrophobicContact CG2-CB 4.24Å; T91-L235 PolarHBondContact OG1-O 3.42Å; E231-L235 WeakPolarHBondContact O-CG 3.32Å; E231-L235 PolarHBondContact O-N 3.18Å; R232-L235 PolarHBondContact O-N 2.93Å; L235-L238 PolarHBondContact O-N 3.1Å; L235-S239 PolarHBondContact O-N 2.82Å; L235-L346 HydrophobicContact CD1-CD2 4.17Å; L235-L346 HydrophobicContact CD2-CD1 3.85Å; L235-L346 HydrophobicContact CD2-CD2 4.27Å; L235-L346 HydrophobicContact CD2-CG 4.42Å; L235-L350 HydrophobicContact CD1-CD1 4.29Å; L235-L350 HydrophobicContact CD2-CD1 4.16Å; L235-L350 HydrophobicContact CD2-CD2 4.09Å; L235-L350 HydrophobicContact CG-CD1 4.33Å; L235-L350 HydrophobicContact CG-CD2 4.49Å; L235-I374 HydrophobicContact CD2-CG2 3.67Å
236I93.7Very high92.5Very high12 Ų1261.8 Ų61.86%0.06231%0.312CS..Hα-helixtrans-61.5-48.1172.1-67.4165.3000110.2T4 P5 I6 F7 I90 L94 R232 H233 R234 L238 S239T4-I236 HydrophobicContact CG2-CG2 3.7Å; P5-I236 WeakPolarHBondContact O-CD1 3.4Å; I6-I236 HydrophobicContact CB-CD1 4.45Å; I6-I236 HydrophobicContact CG1-CD1 4.32Å; F7-I236 HydrophobicContact CD1-CD1 4.27Å; F7-I236 HydrophobicContact CE1-CG1 4.4Å; I90-I236 HydrophobicContact CG2-CG1 3.84Å; L94-I236 HydrophobicContact CD1-CB 4.42Å; L94-I236 HydrophobicContact CD1-CG1 4.18Å; L94-I236 HydrophobicContact CD1-CG2 4.38Å; R232-I236 WeakPolarHBondContact O-CG1 3.22Å; R232-I236 PolarHBondContact O-N 2.99Å; H233-I236 PolarHBondContact O-N 2.88Å; R234-I236 VanDerWaalsContact C-N 3.31Å; R234-I236 PolarHBondContact O-N 2.99Å; I236-L238 VanDerWaalsContact C-N 3.31Å; I236-L238 PolarHBondContact O-N 3.29Å; I236-S239 WeakPolarHBondContact O-CB 3.17Å; I236-S239 PolarHBondContact O-N 2.56Å; I236-S239 VanDerWaalsContact O-N 3.14Å; I236-S239 PolarHBondContact O-OG 3.13Å
237T92.6Very high92.3Very high60 Ų6054.7 Ų54.737%0.36828%0.279SS..Hα-helixtrans-59.4-43.2178.2-580000111.6H233 R234 S239 T240H233-T237 PolarHBondContact O-N 3.24Å; H233-T237 PolarHBondContact O-OG1 3.36Å; R234-T237 WeakPolarHBondContact O-CB 3.28Å; R234-T237 PolarHBondContact O-N 3.46Å; T237-S239 VanDerWaalsContact C-N 3.28Å; T237-S239 PolarHBondContact O-N 3.11Å; T237-T240 PolarHBondContact O-OG1 3.24Å
238L94Very high91.9Very high10 Ų1060 Ų605%0.05231%0.308CS..Hα-helixtrans-74.8-12.8179.8-70.1174.9000113.6R234 L235 I236 T240 R241 N371 I374 V375R234-L238 HydrophobicContact CG-CD1 3.97Å; R234-L238 HydrophobicContact CG-CG 4.43Å; R234-L238 WeakPolarHBondContact O-CB 3.39Å; R234-L238 WeakPolarHBondContact O-CG 3.28Å; R234-L238 PolarHBondContact O-N 3.43Å; L235-L238 PolarHBondContact O-N 3.1Å; I236-L238 VanDerWaalsContact C-N 3.31Å; I236-L238 PolarHBondContact O-N 3.29Å; L238-T240 PolarHBondContact O-N 3.46Å; L238-T240 VanDerWaalsContact O-N 3.16Å; L238-R241 HydrophobicContact CD2-CB 4.45Å; L238-R241 WeakPolarHBondContact O-CB 3.32Å; L238-R241 PolarHBondContact O-N 2.89Å; L238-N371 HydrophobicContact CD2-CB 3.86Å; L238-I374 HydrophobicContact CD1-CB 4.15Å; L238-I374 HydrophobicContact CD1-CD1 4.17Å; L238-I374 HydrophobicContact CD1-CG2 3.6Å; L238-V375 HydrophobicContact CB-CG2 3.99Å; L238-V375 WeakPolarHBondContact O-CG2 3.49Å
239S90.7Very high91.7Very high20 Ų2060.2 Ų60.214%0.1431%0.305CS..THydrogen-bonded Turntrans-61.1-25.8178.570.50000113.9L94 L235 I236 T237L94-S239 WeakPolarHBondContact CD1-OG 3.36Å; L235-S239 PolarHBondContact O-N 2.82Å; I236-S239 WeakPolarHBondContact O-CB 3.17Å; I236-S239 PolarHBondContact O-N 2.56Å; I236-S239 VanDerWaalsContact O-N 3.14Å; I236-S239 PolarHBondContact O-OG 3.13Å; T237-S239 VanDerWaalsContact C-N 3.28Å; T237-S239 PolarHBondContact O-N 3.11Å
240T88.9Confident91.7Very high103 Ų10358.6 Ų58.663%0.63230%0.295SS*.THydrogen-bonded Turntrans-87-7.2176.863.40000113.4T96 T237 L238 R242T96-T240 HydrophobicContact CG2-CG2 4.22Å; T237-T240 PolarHBondContact O-OG1 3.24Å; L238-T240 PolarHBondContact O-N 3.46Å; L238-T240 VanDerWaalsContact O-N 3.16Å; T240-R242 PolarHBondContact O-N 3.44Å
241R90.3Very high91.6Very high60 Ų6053.9 Ų53.923%0.22627%0.27CS..PPolyproline II helixtrans-74.8124.9-177.1-176.6171.3-179.8118.6-5109.7L238 E367 N371 D372 V375L238-R241 HydrophobicContact CD2-CB 4.45Å; L238-R241 WeakPolarHBondContact O-CB 3.32Å; L238-R241 PolarHBondContact O-N 2.89Å; R241-E367 IonicContact CZ-OE2 3.84Å; R241-E367 IonicContact NH1-OE2 3.12Å; R241-E367 PolarHBondContact NH1-OE2 3.36Å; R241-E367 PolarHBondContact NH2-O 3.44Å; R241-E367 IonicContact NH2-OE2 3.85Å; R241-N371 PolarHBondContact NH1-ND2 3.5Å; R241-N371 VanDerWaalsContact NH1-ND2 3.11Å; R241-D372 IonicContact CZ-OD1 2.7Å; R241-D372 VanDerWaalsContact CZ-OD1 3.28Å; R241-D372 IonicContact NE-OD1 3.03Å; R241-D372 PolarHBondContact NE-OD1 2.97Å; R241-D372 IonicContact NH2-OD1 3.4Å; R241-D372 PolarHBondContact NH2-OD1 3.21Å; R241-D372 IonicContact NH2-OD2 2.7Å; R241-V375 HydrophobicContact CB-CG2 4.21Å
242R89.8Confident91.4Very high195 Ų19556.9 Ų56.974%0.73628%0.284SS*.PPolyproline II helixtrans-83.3121.1176.6-64.6-175.7177.5-165.9-2.9109.9S98 T240S98-R242 PolarHBondContact OG-NH2 3.28Å; T240-R242 PolarHBondContact O-N 3.44Å
243L92.8Very high91.4Very high23 Ų2355.7 Ų55.712%0.1228%0.279CS..PPolyproline II helixtrans-67.6153.4168.7-71.9174.8000110.6F147 D372 V375 W376 R380F147-L243 HydrophobicContact CE1-CD2 4.45Å; L243-D372 HydrophobicContact CD2-CB 3.83Å; L243-D372 VanDerWaalsContact CD2-O 3.26Å; L243-D372 WeakPolarHBondContact CD2-O 2.75Å; L243-V375 HydrophobicContact CD1-CB 4.39Å; L243-V375 HydrophobicContact CD1-CG1 3.83Å; L243-V375 HydrophobicContact CD2-CB 3.95Å; L243-V375 HydrophobicContact CD2-CG1 4.09Å; L243-V375 HydrophobicContact CG-CB 4.12Å; L243-V375 HydrophobicContact CG-CG1 3.68Å; L243-W376 HydrophobicContact CD1-CB 3.96Å; L243-W376 HydrophobicContact CD2-CB 4.21Å; L243-R380 HydrophobicContact CD1-CG 4.16Å
244P90.5Very high91.5Very high33 Ų3352 Ų5221%0.21426%0.262CS..PPolyproline II helixtrans-52.7166.7164-24.335.6000112.1F147 S150 R380F147-P244 HydrophobicContact CD1-CG 4.12Å; S150-P244 VanDerWaalsContact CB-CG 3.46Å; P244-R380 PolarHBondContact O-NH1 2.89Å; P244-R380 PolarHBondContact O-NH2 3.23Å
245L88.3Confident91.5Very high143 Ų14349.7 Ų49.775%0.74926%0.255SS*.PPolyproline II helixtrans-55.3147.3175.3-69.7170.5000111.1
246Q85.4Confident91.6Very high14 Ų1450 Ų507%0.06526%0.257CS..PPolyproline II helixtrans-64.4140.2176.3-170.8177.32.400109.4K118 D248K118-Q246 PolarHBondContact O-NE2 3.15Å; Q246-D248 PolarHBondContact O-N 3.39Å
247P87.1Confident91.8Very high5 Ų549.4 Ų49.43%0.03225%0.254CS..  trans-44.4135.5169.8-36.540.8000114.2N249 E252 E253 I256P247-N249 VanDerWaalsContact C-N 3.31Å; P247-E252 HydrophobicContact CB-CB 3.64Å; P247-E252 HydrophobicContact CG-CB 4.14Å; P247-E253 HydrophobicContact CB-CB 4.17Å; P247-E253 HydrophobicContact CG-CB 4.41Å; P247-I256 HydrophobicContact CG-CD1 3.6Å
248D86.4Confident92.1Very high117 Ų11746.5 Ų46.563%0.62624%0.236SC*.SBendtrans-82.8-13.2179.7-79.3-36000113.3K118 W120 Q246K118-D248 IonicContact NZ-OD1 2.78Å; K118-D248 PolarHBondContact NZ-OD1 3.2Å; W120-D248 WeakPolarHBondContact CZ2-O 3.47Å; Q246-D248 PolarHBondContact O-N 3.39Å
249N90.2Very high92.4Very high57 Ų5746.2 Ų46.231%0.30524%0.236SC..SBendtrans-141.4159.9-177.763.171.1000112.2P247 L251 E252 E253P247-N249 VanDerWaalsContact C-N 3.31Å; N249-L251 PolarHBondContact O-N 2.98Å; N249-L251 WeakPolarHBondContact OD1-CB 3.17Å; N249-L251 PolarHBondContact OD1-N 3.49Å; N249-L251 VanDerWaalsContact OD1-N 3.1Å; N249-E252 VanDerWaalsContact ND2-CD 3.28Å; N249-E252 PolarHBondContact ND2-OE1 3.36Å; N249-E252 PolarHBondContact O-N 2.84Å; N249-E252 PolarHBondContact OD1-N 3.04Å; N249-E253 PolarHBondContact O-N 3.47Å
250A92.6Very high92.7Very high32 Ų3245.3 Ų45.326%0.26423%0.229SC..Hα-helixtrans-62-25.7179.900000113.8W120 L122 K254W120-A250 HydrophobicContact CB-CB 4.14Å; W120-A250 HydrophobicContact CD2-CB 3.93Å; W120-A250 HydrophobicContact CE3-CB 3.68Å; W120-A250 HydrophobicContact CG-CB 4.16Å; W120-A250 HydrophobicContact CZ3-CB 4.34Å; L122-A250 HydrophobicContact CD2-CB 4.02Å; L122-A250 VanDerWaalsContact CD2-O 3.28Å; L122-A250 WeakPolarHBondContact CD2-O 3.45Å; A250-K254 VanDerWaalsContact O-CB 3.28Å; A250-K254 WeakPolarHBondContact O-CB 3.45Å; A250-K254 PolarHBondContact O-N 3.27Å
251L92.8Very high93.2Very high34 Ų3440.4 Ų40.418%0.17820%0.199CC..Hα-helixtrans-71.8-47.7-178.8173.965.1000111.2S128 I131 N249 E253 K254 M255S128-L251 WeakPolarHBondContact OG-CD2 3.26Å; I131-L251 HydrophobicContact CD1-CD2 3.51Å; N249-L251 PolarHBondContact O-N 2.98Å; N249-L251 WeakPolarHBondContact OD1-CB 3.17Å; N249-L251 PolarHBondContact OD1-N 3.49Å; N249-L251 VanDerWaalsContact OD1-N 3.1Å; L251-E253 VanDerWaalsContact C-N 3.33Å; L251-K254 WeakPolarHBondContact O-CB 3.28Å; L251-K254 PolarHBondContact O-N 3.46Å; L251-M255 HydrophobicContact CD1-CE 4.14Å; L251-M255 HydrophobicContact CD2-CE 4.06Å; L251-M255 HydrophobicContact CG-CE 3.81Å; L251-M255 HydrophobicContact CG-SD 4.49Å; L251-M255 WeakPolarHBondContact O-CG 3.41Å; L251-M255 PolarHBondContact O-N 2.93Å
252E92.8Very high93.6Very high74 Ų7437.6 Ų37.635%0.34619%0.188SC..Hα-helixtrans-62.8-40.3175.5-78.8167.6-15000111.7P247 N249 K254 M255 I256P247-E252 HydrophobicContact CB-CB 3.64Å; P247-E252 HydrophobicContact CG-CB 4.14Å; N249-E252 VanDerWaalsContact ND2-CD 3.28Å; N249-E252 PolarHBondContact ND2-OE1 3.36Å; N249-E252 PolarHBondContact O-N 2.84Å; N249-E252 PolarHBondContact OD1-N 3.04Å; E252-K254 VanDerWaalsContact C-N 3.34Å; E252-K254 PolarHBondContact O-N 3.41Å; E252-M255 HydrophobicContact CG-SD 4.37Å; E252-M255 WeakPolarHBondContact O-CB 3.4Å; E252-M255 PolarHBondContact O-N 2.92Å; E252-I256 PolarHBondContact O-N 2.85Å
253E94.6Very high94.1Very high4 Ų428.3 Ų28.32%0.01915%0.153CC..Hα-helixtrans-59.4-46.5172.4-174.772.4-16100110.6L122 P247 N249 L251 M255 I256 Y257L122-E253 HydrophobicContact CD1-CG 4.24Å; L122-E253 HydrophobicContact CD2-CB 4.3Å; L122-E253 HydrophobicContact CD2-CG 4.3Å; P247-E253 HydrophobicContact CB-CB 4.17Å; P247-E253 HydrophobicContact CG-CB 4.41Å; N249-E253 PolarHBondContact O-N 3.47Å; L251-E253 VanDerWaalsContact C-N 3.33Å; E253-M255 VanDerWaalsContact C-N 3.32Å; E253-M255 PolarHBondContact O-N 3.23Å; E253-I256 WeakPolarHBondContact O-CB 3.48Å; E253-I256 PolarHBondContact O-N 2.7Å; E253-Y257 HydrophobicContact CG-CD2 4.38Å; E253-Y257 HydrophobicContact CG-CE2 3.96Å; E253-Y257 WeakPolarHBondContact O-CD2 3.28Å; E253-Y257 PolarHBondContact O-N 3.08Å; E253-Y257 WeakPolarHBondContact OE1-CE2 3.47Å
254K96.2Very high94.4Very high12 Ų1227.2 Ų27.25%0.05215%0.148CC..Hα-helixtrans-57.2-42.6176171.817361.6165.90112.3L122 D123 W124 S126 A250 L251 E252 I256 Y257 L258 H300L122-K254 HydrophobicContact CD2-CB 4.27Å; D123-K254 WeakPolarHBondContact O-CD 3.27Å; D123-K254 PolarHBondContact O-NZ 2.95Å; W124-K254 HydrophobicContact CE3-CD 4.24Å; W124-K254 HydrophobicContact CE3-CG 3.97Å; W124-K254 HydrophobicContact CZ3-CG 4.01Å; S126-K254 PolarHBondContact O-NZ 3.39Å; A250-K254 VanDerWaalsContact O-CB 3.28Å; A250-K254 WeakPolarHBondContact O-CB 3.45Å; A250-K254 PolarHBondContact O-N 3.27Å; L251-K254 WeakPolarHBondContact O-CB 3.28Å; L251-K254 PolarHBondContact O-N 3.46Å; E252-K254 VanDerWaalsContact C-N 3.34Å; E252-K254 PolarHBondContact O-N 3.41Å; K254-I256 PolarHBondContact O-N 2.66Å; K254-Y257 PolarHBondContact O-N 2.97Å; K254-L258 HydrophobicContact CD-CD1 4.31Å; K254-L258 HydrophobicContact CG-CD1 3.77Å; K254-L258 HydrophobicContact CG-CG 4.15Å; K254-L258 WeakPolarHBondContact O-CG 3.42Å; K254-L258 PolarHBondContact O-N 3.39Å; K254-H300 WeakPolarHBondContact CE-O 3.39Å; K254-H300 PolarHBondContact NZ-O 2.93Å
255M96.3Very high94.8Very high36 Ų3625.6 Ų25.618%0.17714%0.137CC..Hα-helixtrans-57-38.5178.6-69.4161.516900112L251 E252 E253 L258 G259 V298 Y299 H300L251-M255 HydrophobicContact CD1-CE 4.14Å; L251-M255 HydrophobicContact CD2-CE 4.06Å; L251-M255 HydrophobicContact CG-CE 3.81Å; L251-M255 HydrophobicContact CG-SD 4.49Å; L251-M255 WeakPolarHBondContact O-CG 3.41Å; L251-M255 PolarHBondContact O-N 2.93Å; E252-M255 HydrophobicContact CG-SD 4.37Å; E252-M255 WeakPolarHBondContact O-CB 3.4Å; E252-M255 PolarHBondContact O-N 2.92Å; E253-M255 VanDerWaalsContact C-N 3.32Å; E253-M255 PolarHBondContact O-N 3.23Å; M255-L258 PolarHBondContact O-N 3.32Å; M255-G259 PolarHBondContact O-N 2.77Å; M255-V298 HydrophobicContact CB-CG1 4.05Å; M255-V298 HydrophobicContact CE-CG1 3.97Å; M255-V298 HydrophobicContact CG-CG1 3.73Å; M255-V298 HydrophobicContact SD-CG1 3.63Å; M255-Y299 VanDerWaalsContact CG-O 3.22Å; M255-Y299 WeakPolarHBondContact CG-O 3.19Å; M255-H300 WeakPolarHBondContact CE-CD2 3.5Å; M255-H300 WeakPolarHBondContact CE-NE2 3.31Å
256I97.8Very high95.2Very high5 Ų518.8 Ų18.83%0.02610%0.102CC..Hα-helixtrans-63.8-46.7178.2-62.3172.3000110.8F147 P247 E252 E253 K254 L258 G259 L260 Y373 W376F147-I256 HydrophobicContact CE1-CD1 4.15Å; F147-I256 HydrophobicContact CE2-CG2 3.56Å; F147-I256 HydrophobicContact CZ-CD1 3.92Å; F147-I256 HydrophobicContact CZ-CG1 4.35Å; F147-I256 HydrophobicContact CZ-CG2 3.67Å; P247-I256 HydrophobicContact CG-CD1 3.6Å; E252-I256 PolarHBondContact O-N 2.85Å; E253-I256 WeakPolarHBondContact O-CB 3.48Å; E253-I256 PolarHBondContact O-N 2.7Å; K254-I256 PolarHBondContact O-N 2.66Å; I256-L258 VanDerWaalsContact C-N 3.34Å; I256-L258 PolarHBondContact O-N 3.11Å; I256-G259 PolarHBondContact O-N 3.24Å; I256-L260 PolarHBondContact O-N 3.15Å; I256-Y373 HydrophobicContact CG2-CD1 4.49Å; I256-Y373 HydrophobicContact CG2-CE1 3.68Å; I256-Y373 WeakPolarHBondContact O-CE1 3.46Å; I256-Y373 PolarHBondContact O-OH 2.88Å; I256-W376 HydrophobicContact CB-CZ2 4.36Å; I256-W376 HydrophobicContact CG2-CD2 3.85Å; I256-W376 HydrophobicContact CG2-CE3 4.15Å; I256-W376 HydrophobicContact CG2-CG 4.48Å; I256-W376 HydrophobicContact CG2-CH2 3.86Å; I256-W376 HydrophobicContact CG2-CZ2 3.54Å; I256-W376 HydrophobicContact CG2-CZ3 4.14Å
257Y98.5Very high95.9Very high0 Ų018.3 Ų18.30%010%0.099CC..Hα-helixtrans-62.8-38.6176.5-78.1-86000112.7L122 W124 E253 K254 L260 L261 W376 C382 N385 L386L122-Y257 HydrophobicContact CD1-CD2 3.61Å; L122-Y257 HydrophobicContact CD1-CE2 3.77Å; L122-Y257 HydrophobicContact CD1-CG 4.43Å; W124-Y257 HydrophobicContact CH2-CD1 4.31Å; W124-Y257 HydrophobicContact CH2-CD2 4.18Å; W124-Y257 AromaticContact CH2-CG 3.86Å; W124-Y257 HydrophobicContact CH2-CG 3.86Å; W124-Y257 HydrophobicContact CZ3-CG 4.24Å; E253-Y257 HydrophobicContact CG-CD2 4.38Å; E253-Y257 HydrophobicContact CG-CE2 3.96Å; E253-Y257 WeakPolarHBondContact O-CD2 3.28Å; E253-Y257 PolarHBondContact O-N 3.08Å; E253-Y257 WeakPolarHBondContact OE1-CE2 3.47Å; K254-Y257 PolarHBondContact O-N 2.97Å; Y257-L260 WeakPolarHBondContact O-CB 3.19Å; Y257-L260 PolarHBondContact O-N 3.25Å; Y257-L261 PolarHBondContact O-N 2.9Å; Y257-W376 AromaticContact CD1-CH2 3.78Å; Y257-W376 HydrophobicContact CD1-CH2 3.78Å; Y257-W376 HydrophobicContact CD1-CZ2 4.28Å; Y257-W376 HydrophobicContact CD2-CH2 4.26Å; Y257-W376 HydrophobicContact CD2-CZ2 4.04Å; Y257-W376 AromaticContact CE1-CH2 3.72Å; Y257-W376 HydrophobicContact CE1-CH2 3.72Å; Y257-W376 AromaticContact CE1-CZ2 3.97Å; Y257-W376 HydrophobicContact CE1-CZ2 3.97Å; Y257-W376 HydrophobicContact CE2-CH2 4.19Å; Y257-W376 AromaticContact CE2-CZ2 3.7Å; Y257-W376 HydrophobicContact CE2-CZ2 3.7Å; Y257-W376 HydrophobicContact CG-CH2 4.04Å; Y257-W376 HydrophobicContact CG-CZ2 4.29Å; Y257-W376 AromaticContact CZ-CH2 3.91Å; Y257-W376 AromaticContact CZ-CZ2 3.64Å; Y257-C382 PolarHBondContact OH-N 3.28Å; Y257-N385 HydrophobicContact CE1-CB 3.8Å; Y257-N385 HydrophobicContact CE2-CB 4.2Å; Y257-L386 HydrophobicContact CD1-CD2 3.82Å; Y257-L386 HydrophobicContact CD1-CG 4.49Å; Y257-L386 HydrophobicContact CE1-CD2 3.73Å; Y257-L386 HydrophobicContact CE1-CG 3.97Å
258L98.7Very high96.4Very high0 Ų018 Ų180%010%0.098CC..Hα-helixtrans-68.7-37.3177.8-64.7173.8000111.6W124 K254 M255 I256 L261 D262 Y299 L302 V305 L389W124-L258 HydrophobicContact CE3-CD2 4.38Å; K254-L258 HydrophobicContact CD-CD1 4.31Å; K254-L258 HydrophobicContact CG-CD1 3.77Å; K254-L258 HydrophobicContact CG-CG 4.15Å; K254-L258 WeakPolarHBondContact O-CG 3.42Å; K254-L258 PolarHBondContact O-N 3.39Å; M255-L258 PolarHBondContact O-N 3.32Å; I256-L258 VanDerWaalsContact C-N 3.34Å; I256-L258 PolarHBondContact O-N 3.11Å; L258-L261 PolarHBondContact O-N 3.23Å; L258-D262 PolarHBondContact O-N 2.72Å; L258-Y299 WeakPolarHBondContact CD1-O 3.17Å; L258-L302 HydrophobicContact CD2-CB 4.27Å; L258-V305 HydrophobicContact CD2-CG1 3.85Å; L258-L389 HydrophobicContact CD2-CD1 4.31Å
259G98.6Very high97Very high4 Ų412.5 Ų12.54%0.0417%0.068CC..Hα-helixtrans-65.8-35.817100000113.2M255 I256 D262 L263 Y373M255-G259 PolarHBondContact O-N 2.77Å; I256-G259 PolarHBondContact O-N 3.24Å; G259-D262 WeakPolarHBondContact O-CB 3.43Å; G259-D262 PolarHBondContact O-N 3.32Å; G259-L263 WeakPolarHBondContact O-CG 3.26Å; G259-L263 PolarHBondContact O-N 3.25Å; G259-Y373 WeakPolarHBondContact CA-OH 3.18Å
260L98.9Very high97.3Very high0 Ų09.8 Ų9.80%05%0.054CC..Hα-helixtrans-60.1-47.4169.9174.871.7000110.5I256 Y257 D262 L263 L264 L349 Y373 W376 I377 L386I256-L260 PolarHBondContact O-N 3.15Å; Y257-L260 WeakPolarHBondContact O-CB 3.19Å; Y257-L260 PolarHBondContact O-N 3.25Å; L260-D262 VanDerWaalsContact C-N 3.29Å; L260-D262 PolarHBondContact O-N 2.96Å; L260-L263 WeakPolarHBondContact O-CB 3.46Å; L260-L263 PolarHBondContact O-N 3.32Å; L260-L263 VanDerWaalsContact O-N 3.17Å; L260-L264 HydrophobicContact CD1-CD1 4.44Å; L260-L264 HydrophobicContact CD1-CG 4.31Å; L260-L264 HydrophobicContact CD2-CD1 4.31Å; L260-L264 HydrophobicContact CG-CD1 3.99Å; L260-L264 HydrophobicContact CG-CG 4.26Å; L260-L264 WeakPolarHBondContact O-CG 3.44Å; L260-L264 PolarHBondContact O-N 3.38Å; L260-L349 HydrophobicContact CD1-CD1 3.93Å; L260-L349 HydrophobicContact CD1-CD2 4.09Å; L260-L349 HydrophobicContact CD1-CG 4.22Å; L260-Y373 HydrophobicContact CB-CD1 4.31Å; L260-Y373 HydrophobicContact CB-CE1 3.86Å; L260-Y373 HydrophobicContact CD1-CD1 4.37Å; L260-Y373 PolarHBondContact N-OH 3.34Å; L260-W376 HydrophobicContact CB-CZ3 4.39Å; L260-W376 HydrophobicContact CD2-CH2 4.46Å; L260-W376 HydrophobicContact CD2-CZ3 4.04Å; L260-I377 HydrophobicContact CD2-CD1 4.2Å; L260-L386 HydrophobicContact CD2-CD2 3.7Å
261L98.9Very high97.5Very high0 Ų09.9 Ų9.90%05%0.047CC..Hα-helixtrans-60.4-39.2-179.6177.457.7000112.2Y257 L258 L264 F265 L302 V305 A332 L336 L389 L393Y257-L261 PolarHBondContact O-N 2.9Å; L258-L261 PolarHBondContact O-N 3.23Å; L261-L264 PolarHBondContact O-N 3.5Å; L261-F265 HydrophobicContact CD1-CD1 4.23Å; L261-F265 HydrophobicContact CD1-CD2 4.29Å; L261-F265 HydrophobicContact CD1-CE1 3.79Å; L261-F265 HydrophobicContact CD1-CE2 3.88Å; L261-F265 HydrophobicContact CD1-CG 4.45Å; L261-F265 HydrophobicContact CD1-CZ 3.61Å; L261-F265 HydrophobicContact CD2-CE2 4.03Å; L261-F265 HydrophobicContact CD2-CZ 4.07Å; L261-F265 HydrophobicContact CG-CD2 4.11Å; L261-F265 HydrophobicContact CG-CE1 4.47Å; L261-F265 HydrophobicContact CG-CE2 3.64Å; L261-F265 HydrophobicContact CG-CZ 3.84Å; L261-F265 WeakPolarHBondContact O-CD2 3.32Å; L261-F265 WeakPolarHBondContact O-CG 3.29Å; L261-F265 PolarHBondContact O-N 3.28Å; L261-L302 HydrophobicContact CD2-CD1 3.65Å; L261-V305 HydrophobicContact CD2-CG1 3.91Å; L261-V305 HydrophobicContact CG-CG2 4.48Å; L261-A332 HydrophobicContact CD1-CB 4.28Å; L261-L336 HydrophobicContact CD1-CD1 4.07Å; L261-L389 HydrophobicContact CB-CD2 4.3Å; L261-L389 HydrophobicContact CD2-CD1 4.22Å; L261-L389 HydrophobicContact CD2-CD2 4.39Å; L261-L389 HydrophobicContact CD2-CG 4.45Å; L261-L393 HydrophobicContact CD1-CD2 3.96Å; L261-L393 HydrophobicContact CD2-CD1 4.43Å; L261-L393 HydrophobicContact CD2-CD2 4.4Å
262D98.9Very high97.7Very high1 Ų18.6 Ų8.61%0.0054%0.04CC..Hα-helixtrans-59.7-44.6174.2-17264.7000112.1L258 G259 L260 F265 A266 S290 A291 T292 Y299 V305L258-D262 PolarHBondContact O-N 2.72Å; G259-D262 WeakPolarHBondContact O-CB 3.43Å; G259-D262 PolarHBondContact O-N 3.32Å; L260-D262 VanDerWaalsContact C-N 3.29Å; L260-D262 PolarHBondContact O-N 2.96Å; D262-F265 PolarHBondContact O-N 3.31Å; D262-A266 PolarHBondContact O-N 3.04Å; D262-A266 VanDerWaalsContact O-N 3.16Å; D262-S290 WeakPolarHBondContact OD2-CA 3.42Å; D262-S290 WeakPolarHBondContact OD2-CB 3.5Å; D262-S290 PolarHBondContact OD2-OG 3.38Å; D262-A291 PolarHBondContact OD2-N 3.41Å; D262-T292 WeakPolarHBondContact CB-OG1 3.38Å; D262-T292 VanDerWaalsContact OD2-CB 3.25Å; D262-T292 WeakPolarHBondContact OD2-CB 3.27Å; D262-T292 PolarHBondContact OD2-N 3.26Å; D262-T292 PolarHBondContact OD2-OG1 3.32Å; D262-Y299 HydrophobicContact CB-CD2 4.42Å; D262-Y299 HydrophobicContact CB-CE2 3.66Å; D262-Y299 PolarHBondContact OD1-OH 3.2Å; D262-V305 HydrophobicContact CB-CG2 3.72Å
263L98.9Very high97.9Very high0 Ų05.6 Ų5.60%03%0.027CC..Hα-helixtrans-63.4-42.5174.4-68.3169.7000112G259 L260 A266 Y267 L293 L349 I352 L370 Y373G259-L263 WeakPolarHBondContact O-CG 3.26Å; G259-L263 PolarHBondContact O-N 3.25Å; L260-L263 WeakPolarHBondContact O-CB 3.46Å; L260-L263 PolarHBondContact O-N 3.32Å; L260-L263 VanDerWaalsContact O-N 3.17Å; L263-A266 PolarHBondContact O-N 3.49Å; L263-Y267 WeakPolarHBondContact O-CB 3.07Å; L263-Y267 PolarHBondContact O-N 3.11Å; L263-L293 HydrophobicContact CD2-CD1 3.77Å; L263-L293 HydrophobicContact CD2-CD2 3.9Å; L263-L293 HydrophobicContact CD2-CG 3.72Å; L263-L349 HydrophobicContact CD1-CD2 3.99Å; L263-I352 HydrophobicContact CB-CD1 4.22Å; L263-L370 HydrophobicContact CD1-CD2 4.46Å; L263-Y373 HydrophobicContact CD1-CD2 3.71Å; L263-Y373 HydrophobicContact CD1-CE2 3.82Å; L263-Y373 HydrophobicContact CD1-CG 4.29Å
264L98.9Very high97.9Very high0 Ų06.3 Ų6.30%03%0.029CC..Hα-helixtrans-64.8-42178-68176.3000111.5L260 L261 A266 Y267 I268 L335 L336 C348L260-L264 HydrophobicContact CD1-CD1 4.44Å; L260-L264 HydrophobicContact CD1-CG 4.31Å; L260-L264 HydrophobicContact CD2-CD1 4.31Å; L260-L264 HydrophobicContact CG-CD1 3.99Å; L260-L264 HydrophobicContact CG-CG 4.26Å; L260-L264 WeakPolarHBondContact O-CG 3.44Å; L260-L264 PolarHBondContact O-N 3.38Å; L261-L264 PolarHBondContact O-N 3.5Å; L264-A266 VanDerWaalsContact C-N 3.33Å; L264-A266 PolarHBondContact O-N 3.4Å; L264-Y267 PolarHBondContact O-N 3.1Å; L264-I268 HydrophobicContact CB-CD1 4.41Å; L264-I268 WeakPolarHBondContact O-CB 3.42Å; L264-I268 WeakPolarHBondContact O-CD1 3.34Å; L264-I268 WeakPolarHBondContact O-CG1 3.37Å; L264-I268 PolarHBondContact O-N 3.12Å; L264-L335 HydrophobicContact CD1-CD2 4.21Å; L264-L335 HydrophobicContact CD2-CD1 4.49Å; L264-L336 HydrophobicContact CD1-CD2 4.13Å; L264-C348 HydrophobicContact CD2-CB 3.7Å
265F98.9Very high97.7Very high0 Ų010 Ų100%05%0.047CC..Hα-helixtrans-59.3-45.4174.9-75.5-35.2000112.1L261 D262 I268 Y269 V305 V306 F309 I328 A332 L393L261-F265 HydrophobicContact CD1-CD1 4.23Å; L261-F265 HydrophobicContact CD1-CD2 4.29Å; L261-F265 HydrophobicContact CD1-CE1 3.79Å; L261-F265 HydrophobicContact CD1-CE2 3.88Å; L261-F265 HydrophobicContact CD1-CG 4.45Å; L261-F265 HydrophobicContact CD1-CZ 3.61Å; L261-F265 HydrophobicContact CD2-CE2 4.03Å; L261-F265 HydrophobicContact CD2-CZ 4.07Å; L261-F265 HydrophobicContact CG-CD2 4.11Å; L261-F265 HydrophobicContact CG-CE1 4.47Å; L261-F265 HydrophobicContact CG-CE2 3.64Å; L261-F265 HydrophobicContact CG-CZ 3.84Å; L261-F265 WeakPolarHBondContact O-CD2 3.32Å; L261-F265 WeakPolarHBondContact O-CG 3.29Å; L261-F265 PolarHBondContact O-N 3.28Å; D262-F265 PolarHBondContact O-N 3.31Å; F265-I268 PolarHBondContact O-N 2.89Å; F265-Y269 WeakPolarHBondContact O-CB 3.15Å; F265-Y269 PolarHBondContact O-N 2.96Å; F265-V305 HydrophobicContact CD2-CG2 4.39Å; F265-V305 HydrophobicContact CE2-CG2 4.33Å; F265-V306 HydrophobicContact CE2-CG2 4.12Å; F265-V306 HydrophobicContact CZ-CG2 4.13Å; F265-F309 HydrophobicContact CB-CB 4.35Å; F265-F309 HydrophobicContact CB-CD1 4.21Å; F265-F309 HydrophobicContact CB-CD2 3.52Å; F265-F309 HydrophobicContact CB-CE1 4.46Å; F265-F309 HydrophobicContact CB-CE2 3.8Å; F265-F309 HydrophobicContact CB-CG 3.74Å; F265-F309 HydrophobicContact CB-CZ 4.28Å; F265-F309 HydrophobicContact CD1-CD1 4.31Å; F265-F309 HydrophobicContact CD1-CE1 4.46Å; F265-F309 HydrophobicContact CD2-CB 3.67Å; F265-F309 HydrophobicContact CD2-CD1 4.05Å; F265-F309 HydrophobicContact CD2-CD2 4.39Å; F265-F309 AromaticContact CD2-CG 3.76Å; F265-F309 HydrophobicContact CD2-CG 3.76Å; F265-F309 HydrophobicContact CE2-CB 4.24Å; F265-F309 HydrophobicContact CE2-CD1 4.47Å; F265-F309 HydrophobicContact CE2-CG 4.49Å; F265-F309 HydrophobicContact CG-CB 4.25Å; F265-F309 AromaticContact CG-CD1 3.97Å; F265-F309 HydrophobicContact CG-CD1 3.97Å; F265-F309 HydrophobicContact CG-CD2 4.14Å; F265-F309 HydrophobicContact CG-CE1 4.41Å; F265-F309 AromaticContact CG-CG 3.83Å; F265-F309 HydrophobicContact CG-CG 3.83Å; F265-I328 HydrophobicContact CD1-CG2 4.19Å; F265-A332 HydrophobicContact CD1-CB 3.73Å; F265-A332 HydrophobicContact CE1-CB 3.53Å; F265-L393 HydrophobicContact CE1-CD2 4.07Å; F265-L393 HydrophobicContact CZ-CD1 3.87Å; F265-L393 HydrophobicContact CZ-CD2 3.99Å
266A98.7Very high97.3Very high0 Ų09.8 Ų9.80%05%0.054CC..Hα-helixtrans-61.4-46.1178.500000111.6D262 L263 L264 D270 I286 L289D262-A266 PolarHBondContact O-N 3.04Å; D262-A266 VanDerWaalsContact O-N 3.16Å; L263-A266 PolarHBondContact O-N 3.49Å; L264-A266 VanDerWaalsContact C-N 3.33Å; L264-A266 PolarHBondContact O-N 3.4Å; A266-D270 VanDerWaalsContact O-CB 3.29Å; A266-D270 WeakPolarHBondContact O-CB 3.5Å; A266-D270 PolarHBondContact O-N 3.05Å; A266-D270 VanDerWaalsContact O-N 3.07Å; A266-I286 HydrophobicContact CB-CG2 4.29Å; A266-L289 HydrophobicContact CB-CB 3.76Å
267Y98.5Very high96.9Very high3 Ų316.1 Ų16.11%0.0128%0.083CC..Hα-helixtrans-63.4-45.9176.3171.2-93.8000112.9W215 L263 L264 D270 Y271 C348 E351 I352W215-Y267 HydrophobicContact CH2-CE1 4.03Å; W215-Y267 HydrophobicContact CZ3-CE1 4.11Å; L263-Y267 WeakPolarHBondContact O-CB 3.07Å; L263-Y267 PolarHBondContact O-N 3.11Å; L264-Y267 PolarHBondContact O-N 3.1Å; Y267-D270 PolarHBondContact O-N 3.39Å; Y267-Y271 HydrophobicContact CE1-CD2 4.31Å; Y267-Y271 AromaticContact CZ-CD2 3.91Å; Y267-Y271 WeakPolarHBondContact O-CB 3.05Å; Y267-Y271 PolarHBondContact O-N 2.93Å; Y267-Y271 WeakPolarHBondContact OH-CD2 3.25Å; Y267-C348 HydrophobicContact CD1-CB 3.8Å; Y267-C348 VanDerWaalsContact CD1-SG 3.5Å; Y267-C348 HydrophobicContact CE1-CB 3.95Å; Y267-C348 WeakPolarHBondContact CE1-SG 2.98Å; Y267-C348 HydrophobicContact CG-CB 4.12Å; Y267-E351 HydrophobicContact CE2-CB 3.8Å; Y267-E351 WeakPolarHBondContact CE2-OE2 3.37Å; Y267-E351 VanDerWaalsContact OH-CD 3.31Å; Y267-E351 PolarHBondContact OH-OE1 2.75Å; Y267-E351 PolarHBondContact OH-OE2 3.04Å; Y267-I352 HydrophobicContact CD2-CD1 4.45Å; Y267-I352 HydrophobicContact CD2-CG1 3.74Å; Y267-I352 HydrophobicContact CG-CD1 4.35Å; Y267-I352 HydrophobicContact CG-CG1 4.11Å
268I98.2Very high96.5Very high0 Ų022.7 Ų22.70%012%0.124CC..Hα-helixtrans-68.6-38.7-176.8-63.3164.6000110.6L213 W215 L264 F265 D270 R272 I328 D331 A332 L335L213-I268 HydrophobicContact CD1-CG2 4.42Å; W215-I268 HydrophobicContact CH2-CD1 4.49Å; W215-I268 HydrophobicContact CH2-CG1 3.85Å; W215-I268 HydrophobicContact CZ2-CD1 4.03Å; W215-I268 HydrophobicContact CZ2-CG1 3.8Å; W215-I268 HydrophobicContact CZ2-CG2 4.33Å; L264-I268 HydrophobicContact CB-CD1 4.41Å; L264-I268 WeakPolarHBondContact O-CB 3.42Å; L264-I268 WeakPolarHBondContact O-CD1 3.34Å; L264-I268 WeakPolarHBondContact O-CG1 3.37Å; L264-I268 PolarHBondContact O-N 3.12Å; F265-I268 PolarHBondContact O-N 2.89Å; I268-D270 VanDerWaalsContact C-N 3.33Å; I268-R272 PolarHBondContact O-N 2.73Å; I268-R272 VanDerWaalsContact O-N 3.1Å; I268-I328 HydrophobicContact CB-CG2 3.99Å; I268-I328 HydrophobicContact CG2-CD1 4Å; I268-I328 HydrophobicContact CG2-CG2 3.96Å; I268-D331 HydrophobicContact CG2-CB 3.65Å; I268-A332 VanDerWaalsContact CD1-CA 3.49Å; I268-A332 HydrophobicContact CD1-CB 3.63Å; I268-L335 HydrophobicContact CD1-CD1 4.44Å
269Y98.3Very high96.2Very high1 Ų126 Ų260%0.00414%0.14CC..Hα-helixtrans-55.4-53.1170.8178.7-78.1000110.4F265 Y271 R272 V273 L289 F309 A313 P317 V319 F324 I328F265-Y269 WeakPolarHBondContact O-CB 3.15Å; F265-Y269 PolarHBondContact O-N 2.96Å; Y269-Y271 PolarHBondContact O-N 3.3Å; Y269-R272 PolarHBondContact O-N 2.82Å; Y269-V273 HydrophobicContact CD1-CG2 3.97Å; Y269-V273 HydrophobicContact CE1-CB 4.48Å; Y269-V273 HydrophobicContact CE1-CG2 3.46Å; Y269-V273 VanDerWaalsContact CE1-CG2 3.46Å; Y269-V273 PolarHBondContact O-N 3.17Å; Y269-L289 HydrophobicContact CD1-CD1 3.19Å; Y269-L289 HydrophobicContact CD2-CD1 3.98Å; Y269-L289 HydrophobicContact CE1-CD1 3.81Å; Y269-L289 HydrophobicContact CE2-CD1 4.49Å; Y269-L289 HydrophobicContact CG-CD1 3.32Å; Y269-F309 HydrophobicContact CD2-CE2 4.49Å; Y269-F309 HydrophobicContact CD2-CZ 4.36Å; Y269-A313 HydrophobicContact CD2-CB 4.36Å; Y269-A313 HydrophobicContact CE2-CB 4.27Å; Y269-P317 HydrophobicContact CE1-CB 3.63Å; Y269-P317 HydrophobicContact CE1-CG 3.85Å; Y269-P317 HydrophobicContact CE2-CG 3.98Å; Y269-P317 WeakPolarHBondContact OH-CB 3.3Å; Y269-P317 WeakPolarHBondContact OH-CG 3.35Å; Y269-V319 WeakPolarHBondContact OH-CA 3.48Å; Y269-V319 WeakPolarHBondContact OH-CB 3.47Å; Y269-V319 PolarHBondContact OH-N 3.41Å; Y269-V319 VanDerWaalsContact OH-N 3.08Å; Y269-V319 PolarHBondContact OH-O 3.27Å; Y269-F324 AromaticContact CD2-CD1 3.79Å; Y269-F324 HydrophobicContact CD2-CD1 3.79Å; Y269-F324 AromaticContact CD2-CE1 3.63Å; Y269-F324 HydrophobicContact CD2-CE1 3.63Å; Y269-F324 AromaticContact CE2-CD1 3.52Å; Y269-F324 HydrophobicContact CE2-CD1 3.52Å; Y269-F324 AromaticContact CE2-CE1 3.53Å; Y269-F324 HydrophobicContact CE2-CE1 3.53Å; Y269-F324 HydrophobicContact CG-CE1 4.22Å; Y269-I328 HydrophobicContact CD2-CG1 4.27Å
270D97.7Very high95.8Very high0 Ų030.3 Ų30.30%017%0.169CC..Hα-helixtrans-65.3-41.1-176-174.747.1000111.9A266 Y267 I268 R272 V273 R274 S282 N285 I286A266-D270 VanDerWaalsContact O-CB 3.29Å; A266-D270 WeakPolarHBondContact O-CB 3.5Å; A266-D270 PolarHBondContact O-N 3.05Å; A266-D270 VanDerWaalsContact O-N 3.07Å; Y267-D270 PolarHBondContact O-N 3.39Å; I268-D270 VanDerWaalsContact C-N 3.33Å; D270-R272 VanDerWaalsContact C-N 3.28Å; D270-R272 PolarHBondContact O-N 3.46Å; D270-V273 PolarHBondContact O-N 2.81Å; D270-R274 WeakPolarHBondContact O-CB 3.36Å; D270-R274 VanDerWaalsContact O-CG 3.26Å; D270-R274 WeakPolarHBondContact O-CG 3.32Å; D270-R274 PolarHBondContact O-N 3.08Å; D270-R274 PolarHBondContact O-NE 3.08Å; D270-R274 IonicContact OD1-NE 3.32Å; D270-R274 PolarHBondContact OD1-NE 3.48Å; D270-R274 VanDerWaalsContact OD1-NE 3.11Å; D270-R274 IonicContact OD2-CZ 3.77Å; D270-R274 IonicContact OD2-NE 3.59Å; D270-R274 PolarHBondContact OD2-NE 2.84Å; D270-R274 IonicContact OD2-NH2 3.41Å; D270-R274 PolarHBondContact OD2-NH2 3.34Å; D270-S282 WeakPolarHBondContact OD1-CA 3.31Å; D270-S282 WeakPolarHBondContact OD2-CA 3.47Å; D270-S282 VanDerWaalsContact OD2-CB 3.27Å; D270-S282 WeakPolarHBondContact OD2-CB 3.25Å; D270-N285 HydrophobicContact CB-CB 4.13Å; D270-N285 WeakPolarHBondContact OD1-CB 3.41Å; D270-N285 PolarHBondContact OD1-ND2 2.89Å; D270-I286 HydrophobicContact CB-CG1 4.09Å
271Y97.1Very high95.5Very high34 Ų3434.9 Ų34.913%0.13319%0.191CC..Hα-helixtrans-56.8-41.6174-172.4-78.3000111.6I211 L213 P214 Y267 Y269 E275 G276I211-Y271 HydrophobicContact CD1-CD1 3.9Å; I211-Y271 HydrophobicContact CD1-CE1 3.9Å; L213-Y271 HydrophobicContact CD2-CD1 3.39Å; L213-Y271 HydrophobicContact CD2-CE1 3.68Å; L213-Y271 HydrophobicContact CD2-CG 4.3Å; P214-Y271 WeakPolarHBondContact CD-OH 3.44Å; P214-Y271 HydrophobicContact CG-CE2 4.24Å; P214-Y271 WeakPolarHBondContact CG-OH 3.49Å; Y267-Y271 HydrophobicContact CE1-CD2 4.31Å; Y267-Y271 AromaticContact CZ-CD2 3.91Å; Y267-Y271 WeakPolarHBondContact O-CB 3.05Å; Y267-Y271 PolarHBondContact O-N 2.93Å; Y267-Y271 WeakPolarHBondContact OH-CD2 3.25Å; Y269-Y271 PolarHBondContact O-N 3.3Å; Y271-E275 PolarHBondContact O-N 3.17Å; Y271-G276 PolarHBondContact O-N 3.25Å; Y271-G276 VanDerWaalsContact O-N 3.12Å
272R96.4Very high95.4Very high6 Ų635.1 Ų35.12%0.02319%0.192CC..Hα-helixtrans-67.2-46.8176.4-74.9-155.6176.3-84.2-2.5113.1M208 T209 I211 L213 I268 Y269 D270 R274 E275 F324 I328 D331M208-R272 WeakPolarHBondContact CB-O 3.38Å; M208-R272 PolarHBondContact O-NH1 3.37Å; T209-R272 PolarHBondContact O-NH1 3.42Å; I211-R272 HydrophobicContact CD1-CB 4.37Å; I211-R272 HydrophobicContact CD1-CG 4.17Å; I211-R272 HydrophobicContact CG1-CG 4.45Å; I211-R272 PolarHBondContact O-NH1 2.86Å; L213-R272 HydrophobicContact CD2-CG 4.47Å; I268-R272 PolarHBondContact O-N 2.73Å; I268-R272 VanDerWaalsContact O-N 3.1Å; Y269-R272 PolarHBondContact O-N 2.82Å; D270-R272 VanDerWaalsContact C-N 3.28Å; D270-R272 PolarHBondContact O-N 3.46Å; R272-R274 PolarHBondContact O-N 3.08Å; R272-E275 PolarHBondContact O-N 3.31Å; R272-E275 VanDerWaalsContact O-N 3.1Å; R272-F324 HydrophobicContact CB-CE1 4.41Å; R272-F324 HydrophobicContact CB-CE2 4.22Å; R272-F324 HydrophobicContact CB-CZ 3.56Å; R272-I328 HydrophobicContact CB-CD1 4.21Å; R272-I328 HydrophobicContact CG-CD1 3.86Å; R272-D331 IonicContact CZ-OD2 2.65Å; R272-D331 IonicContact NE-OD2 3.28Å; R272-D331 PolarHBondContact NE-OD2 3.46Å; R272-D331 IonicContact NH2-OD1 3.82Å; R272-D331 PolarHBondContact NH2-OD1 2.9Å; R272-D331 IonicContact NH2-OD2 3.31Å; R272-D331 PolarHBondContact NH2-OD2 2.83Å
273V96Very high95.3Very high11 Ų1135 Ų357%0.06719%0.192CC..Hα-helixtrans-61.2-34179.9170.70000111.5M208 Y269 D270 M279 V319 F324M208-V273 HydrophobicContact SD-CB 4.43Å; M208-V273 HydrophobicContact SD-CG1 4.5Å; M208-V273 HydrophobicContact SD-CG2 4.25Å; Y269-V273 HydrophobicContact CD1-CG2 3.97Å; Y269-V273 HydrophobicContact CE1-CB 4.48Å; Y269-V273 HydrophobicContact CE1-CG2 3.46Å; Y269-V273 VanDerWaalsContact CE1-CG2 3.46Å; Y269-V273 PolarHBondContact O-N 3.17Å; D270-V273 PolarHBondContact O-N 2.81Å; V273-M279 HydrophobicContact CG1-CE 4.08Å; V273-V319 HydrophobicContact CG2-CG2 4.4Å; V273-F324 HydrophobicContact CG2-CE1 4.01Å; V273-F324 HydrophobicContact CG2-CZ 4.01Å
274R94.6Very high95.1Very high19 Ų1938.9 Ų38.97%0.07221%0.207CC..THydrogen-bonded Turntrans-89.5-3178.6-62.2-174.8-76.594.8-2.5114.5D270 R272 G276 E277 M279 S282D270-R274 WeakPolarHBondContact O-CB 3.36Å; D270-R274 VanDerWaalsContact O-CG 3.26Å; D270-R274 WeakPolarHBondContact O-CG 3.32Å; D270-R274 PolarHBondContact O-N 3.08Å; D270-R274 PolarHBondContact O-NE 3.08Å; D270-R274 IonicContact OD1-NE 3.32Å; D270-R274 PolarHBondContact OD1-NE 3.48Å; D270-R274 VanDerWaalsContact OD1-NE 3.11Å; D270-R274 IonicContact OD2-CZ 3.77Å; D270-R274 IonicContact OD2-NE 3.59Å; D270-R274 PolarHBondContact OD2-NE 2.84Å; D270-R274 IonicContact OD2-NH2 3.41Å; D270-R274 PolarHBondContact OD2-NH2 3.34Å; R272-R274 PolarHBondContact O-N 3.08Å; R274-G276 PolarHBondContact O-N 2.71Å; R274-G276 VanDerWaalsContact O-N 3.11Å; R274-E277 WeakPolarHBondContact CB-O 3.36Å; R274-E277 PolarHBondContact NH1-O 2.83Å; R274-E277 WeakPolarHBondContact O-CB 3.18Å; R274-E277 PolarHBondContact O-N 3.32Å; R274-M279 HydrophobicContact CB-CB 4.44Å; R274-M279 HydrophobicContact CG-CB 3.56Å; R274-M279 HydrophobicContact CG-CE 4Å; R274-M279 HydrophobicContact CG-CG 4.27Å; R274-M279 HydrophobicContact CG-SD 3.73Å; R274-S282 WeakPolarHBondContact CD-OG 3.34Å; R274-S282 PolarHBondContact NE-OG 2.96Å
275E93.5Very high95Very high90 Ų9039.2 Ų39.242%0.42121%0.208SC..THydrogen-bonded Turntrans5530.6-178.6-55.3-171.6100.300114.2H207 M208 I211 Y271 R272 E277H207-E275 IonicContact CD2-OE1 3.8Å; H207-E275 PolarHBondContact CD2-OE1 2.92Å; H207-E275 IonicContact CD2-OE2 3.45Å; M208-E275 HydrophobicContact CG-CG 4.46Å; I211-E275 HydrophobicContact CG2-CB 4.09Å; I211-E275 HydrophobicContact CG2-CG 4.06Å; Y271-E275 PolarHBondContact O-N 3.17Å; R272-E275 PolarHBondContact O-N 3.31Å; R272-E275 VanDerWaalsContact O-N 3.1Å; E275-E277 VanDerWaalsContact C-N 3.29Å
276G86.6Confident95Very high32 Ų3239.2 Ų39.233%0.3321%0.208SC..THydrogen-bonded Turntrans81.3-1.4-175.900000115.3Y271 R274Y271-G276 PolarHBondContact O-N 3.25Å; Y271-G276 VanDerWaalsContact O-N 3.12Å; R274-G276 PolarHBondContact O-N 2.71Å; R274-G276 VanDerWaalsContact O-N 3.11Å
277E91.1Very high94.9Very high137 Ų13739.2 Ų39.264%0.6421%0.208SC*.SBendtrans-91.5171.2178.3-61.1-65.3163.700112.3R274 E275R274-E277 WeakPolarHBondContact CB-O 3.36Å; R274-E277 PolarHBondContact NH1-O 2.83Å; R274-E277 WeakPolarHBondContact O-CB 3.18Å; R274-E277 PolarHBondContact O-N 3.32Å; E275-E277 VanDerWaalsContact C-N 3.29Å
278T89.6Confident94.8Very high139 Ų13940.5 Ų40.585%0.85321%0.214SC*.  trans-77.1141172.659.50000111.4
279M91.2Very high94.8Very high68 Ų6840.6 Ų40.634%0.33521%0.214SC..  trans-145151.4176.7-166.1172.391.300112.4V273 R274 E281 S282 Y359V273-M279 HydrophobicContact CG1-CE 4.08Å; R274-M279 HydrophobicContact CB-CB 4.44Å; R274-M279 HydrophobicContact CG-CB 3.56Å; R274-M279 HydrophobicContact CG-CE 4Å; R274-M279 HydrophobicContact CG-CG 4.27Å; R274-M279 HydrophobicContact CG-SD 3.73Å; M279-E281 VanDerWaalsContact C-N 3.3Å; M279-E281 HydrophobicContact CE-CB 3.56Å; M279-E281 HydrophobicContact CE-CG 4.19Å; M279-E281 PolarHBondContact O-N 3.31Å; M279-S282 PolarHBondContact O-OG 3.32Å; M279-Y359 PolarHBondContact O-OH 3.38Å
280S90.8Very high94.9Very high95 Ų9540.5 Ų40.566%0.66421%0.214SC*.THydrogen-bonded Turntrans-78.8-1179.957.20000115.6Y359S280-Y359 WeakPolarHBondContact CA-OH 3.25Å; S280-Y359 WeakPolarHBondContact O-CE1 3.35Å; S280-Y359 VanDerWaalsContact O-CZ 3.28Å; S280-Y359 PolarHBondContact O-OH 3.11Å
281E93.8Very high94.9Very high97 Ų9740.5 Ų40.545%0.45321%0.214SC..THydrogen-bonded Turntrans-110.8-2.4172.9-52.7-66.3145.900114M279 G283 W284 N285 Y359M279-E281 VanDerWaalsContact C-N 3.3Å; M279-E281 HydrophobicContact CE-CB 3.56Å; M279-E281 HydrophobicContact CE-CG 4.19Å; M279-E281 PolarHBondContact O-N 3.31Å; E281-G283 VanDerWaalsContact C-N 3.33Å; E281-G283 PolarHBondContact O-N 2.95Å; E281-W284 WeakPolarHBondContact O-CB 3.44Å; E281-W284 PolarHBondContact O-N 3.47Å; E281-N285 PolarHBondContact O-N 3.2Å; E281-Y359 VanDerWaalsContact CA-OH 3.27Å; E281-Y359 WeakPolarHBondContact CA-OH 3.4Å; E281-Y359 PolarHBondContact N-OH 3.44Å
282S96.3Very high94.9Very high4 Ų439.1 Ų39.13%0.02821%0.209CC..Hα-helixtrans-47.1-50.6178.6-53.70000114.3D270 R274 M279 W284 N285 I286 I355 Y359D270-S282 WeakPolarHBondContact OD1-CA 3.31Å; D270-S282 WeakPolarHBondContact OD2-CA 3.47Å; D270-S282 VanDerWaalsContact OD2-CB 3.27Å; D270-S282 WeakPolarHBondContact OD2-CB 3.25Å; R274-S282 WeakPolarHBondContact CD-OG 3.34Å; R274-S282 PolarHBondContact NE-OG 2.96Å; M279-S282 PolarHBondContact O-OG 3.32Å; S282-W284 VanDerWaalsContact C-N 3.29Å; S282-W284 PolarHBondContact O-N 3.36Å; S282-N285 PolarHBondContact O-N 3.07Å; S282-I286 VanDerWaalsContact O-CG1 3.31Å; S282-I286 WeakPolarHBondContact O-CG1 3.38Å; S282-I286 PolarHBondContact O-N 3.28Å; S282-I355 VanDerWaalsContact CB-CG2 3.47Å; S282-Y359 PolarHBondContact N-OH 2.88Å
283G95.8Very high95Very high0 Ų038.8 Ų38.80%021%0.208CC..Hα-helixtrans-62.8-41.7-178.300000110.7E281 I286 V287 Y359 Y362E281-G283 VanDerWaalsContact C-N 3.33Å; E281-G283 PolarHBondContact O-N 2.95Å; G283-I286 PolarHBondContact O-N 2.98Å; G283-V287 WeakPolarHBondContact O-CB 3.2Å; G283-V287 WeakPolarHBondContact O-CG2 3.5Å; G283-V287 PolarHBondContact O-N 3.39Å; G283-Y359 PolarHBondContact N-OH 3.01Å; G283-Y362 VanDerWaalsContact C-CE2 3.47Å; G283-Y362 VanDerWaalsContact O-CE2 3.28Å; G283-Y362 WeakPolarHBondContact O-CE2 3.43Å
284W95.5Very high95Very high81 Ų8138.3 Ų38.331%0.30721%0.205SC..Hα-helixtrans-64.7-47.6177.2-173.797.6000111.3E281 S282 I286 V287 K288 P317E281-W284 WeakPolarHBondContact O-CB 3.44Å; E281-W284 PolarHBondContact O-N 3.47Å; S282-W284 VanDerWaalsContact C-N 3.29Å; S282-W284 PolarHBondContact O-N 3.36Å; W284-I286 VanDerWaalsContact C-N 3.33Å; W284-I286 PolarHBondContact O-N 3.06Å; W284-V287 PolarHBondContact O-N 2.86Å; W284-K288 HydrophobicContact CD2-CB 4.42Å; W284-K288 HydrophobicContact CD2-CG 3.61Å; W284-K288 VanDerWaalsContact CE2-CG 3.43Å; W284-K288 HydrophobicContact CE3-CB 4.3Å; W284-K288 HydrophobicContact CE3-CG 3.95Å; W284-K288 HydrophobicContact CG-CG 4.17Å; W284-K288 HydrophobicContact CH2-CB 4.42Å; W284-K288 HydrophobicContact CH2-CG 3.99Å; W284-K288 HydrophobicContact CZ2-CD 4.35Å; W284-K288 HydrophobicContact CZ2-CG 3.66Å; W284-K288 HydrophobicContact CZ3-CB 4.27Å; W284-K288 HydrophobicContact CZ3-CG 4.11Å; W284-K288 VanDerWaalsContact O-CB 3.24Å; W284-K288 WeakPolarHBondContact O-CB 3.49Å; W284-K288 VanDerWaalsContact O-CG 3.27Å; W284-K288 WeakPolarHBondContact O-CG 3.47Å; W284-K288 PolarHBondContact O-N 3.32Å; W284-P317 HydrophobicContact CZ3-CB 4.45Å
285N96.9Very high95.1Very high7 Ų737.6 Ų37.64%0.03720%0.202CC..Hα-helixtrans-55-49.3176-77.2-20.7000111.1D270 E281 S282 K288 L289D270-N285 HydrophobicContact CB-CB 4.13Å; D270-N285 WeakPolarHBondContact OD1-CB 3.41Å; D270-N285 PolarHBondContact OD1-ND2 2.89Å; E281-N285 PolarHBondContact O-N 3.2Å; S282-N285 PolarHBondContact O-N 3.07Å; N285-K288 PolarHBondContact O-N 3.07Å; N285-L289 VanDerWaalsContact O-CB 3.27Å; N285-L289 WeakPolarHBondContact O-CB 3.43Å; N285-L289 WeakPolarHBondContact O-CG 3.41Å; N285-L289 PolarHBondContact O-N 3.18Å
286I98.1Very high95.3Very high0 Ų033.3 Ų33.30%018%0.182CC..Hα-helixtrans-63.5-49.9-176.9-68.6165.8000111.1A266 D270 S282 G283 W284 K288 L289 S290 L293 I352 I355 L356A266-I286 HydrophobicContact CB-CG2 4.29Å; D270-I286 HydrophobicContact CB-CG1 4.09Å; S282-I286 VanDerWaalsContact O-CG1 3.31Å; S282-I286 WeakPolarHBondContact O-CG1 3.38Å; S282-I286 PolarHBondContact O-N 3.28Å; G283-I286 PolarHBondContact O-N 2.98Å; W284-I286 VanDerWaalsContact C-N 3.33Å; W284-I286 PolarHBondContact O-N 3.06Å; I286-K288 PolarHBondContact O-N 2.65Å; I286-L289 PolarHBondContact O-N 2.85Å; I286-S290 WeakPolarHBondContact O-CB 3.2Å; I286-S290 PolarHBondContact O-N 2.88Å; I286-L293 HydrophobicContact CG2-CD1 4.14Å; I286-I352 HydrophobicContact CD1-CG1 4.25Å; I286-I352 HydrophobicContact CD1-CG2 4.39Å; I286-I352 HydrophobicContact CG2-CG2 3.82Å; I286-I355 HydrophobicContact CD1-CB 4.34Å; I286-I355 HydrophobicContact CD1-CD1 3.83Å; I286-I355 HydrophobicContact CD1-CG2 3.99Å; I286-L356 HydrophobicContact CG2-CD2 4.46Å
287V97.2Very high95.8Very high0 Ų032.2 Ų32.20%017%0.169CC..Hα-helixtrans-65.5-40.3-179.4170.90000111.4G283 W284 S290 L293 S294 L356 Y362 F365G283-V287 WeakPolarHBondContact O-CB 3.2Å; G283-V287 WeakPolarHBondContact O-CG2 3.5Å; G283-V287 PolarHBondContact O-N 3.39Å; W284-V287 PolarHBondContact O-N 2.86Å; V287-S290 VanDerWaalsContact O-O 3.07Å; V287-L293 HydrophobicContact CG2-CD1 4.29Å; V287-S294 WeakPolarHBondContact O-CB 3.29Å; V287-S294 PolarHBondContact O-OG 2.74Å; V287-L356 HydrophobicContact CG2-CD1 4.44Å; V287-L356 HydrophobicContact CG2-CD2 3.6Å; V287-Y362 HydrophobicContact CB-CD2 4.47Å; V287-Y362 HydrophobicContact CB-CE2 3.91Å; V287-Y362 HydrophobicContact CG1-CE1 4.48Å; V287-Y362 HydrophobicContact CG1-CE2 4.48Å; V287-Y362 HydrophobicContact CG2-CD2 3.59Å; V287-Y362 HydrophobicContact CG2-CE1 4.44Å; V287-Y362 HydrophobicContact CG2-CE2 3.51Å; V287-Y362 HydrophobicContact CG2-CG 4.09Å; V287-F365 HydrophobicContact CB-CE2 4.37Å; V287-F365 HydrophobicContact CG1-CE2 3.77Å; V287-F365 HydrophobicContact CG1-CZ 3.96Å; V287-F365 HydrophobicContact CG2-CD2 3.75Å; V287-F365 HydrophobicContact CG2-CE2 3.57Å; V287-F365 HydrophobicContact CG2-CZ 4.46Å
288K97Very high96Very high30 Ų3027.9 Ų27.913%0.1315%0.151CC..Hα-helixtrans-71.9-29.4178-70.2-54.4-172.2-176.90113.1D166 W284 N285 I286 R312 Y316D166-K288 IonicContact OD1-NZ 2.92Å; D166-K288 PolarHBondContact OD1-NZ 3.49Å; D166-K288 WeakPolarHBondContact OD2-CD 3.35Å; D166-K288 IonicContact OD2-NZ 3.93Å; D166-K288 PolarHBondContact OD2-NZ 3.17Å; W284-K288 HydrophobicContact CD2-CB 4.42Å; W284-K288 HydrophobicContact CD2-CG 3.61Å; W284-K288 VanDerWaalsContact CE2-CG 3.43Å; W284-K288 HydrophobicContact CE3-CB 4.3Å; W284-K288 HydrophobicContact CE3-CG 3.95Å; W284-K288 HydrophobicContact CG-CG 4.17Å; W284-K288 HydrophobicContact CH2-CB 4.42Å; W284-K288 HydrophobicContact CH2-CG 3.99Å; W284-K288 HydrophobicContact CZ2-CD 4.35Å; W284-K288 HydrophobicContact CZ2-CG 3.66Å; W284-K288 HydrophobicContact CZ3-CB 4.27Å; W284-K288 HydrophobicContact CZ3-CG 4.11Å; W284-K288 VanDerWaalsContact O-CB 3.24Å; W284-K288 WeakPolarHBondContact O-CB 3.49Å; W284-K288 VanDerWaalsContact O-CG 3.27Å; W284-K288 WeakPolarHBondContact O-CG 3.47Å; W284-K288 PolarHBondContact O-N 3.32Å; N285-K288 PolarHBondContact O-N 3.07Å; I286-K288 PolarHBondContact O-N 2.65Å; K288-R312 PolarHBondContact O-NE 2.96Å; K288-R312 PolarHBondContact O-NH2 3.27Å; K288-Y316 HydrophobicContact CB-CG 4.44Å
289L98.5Very high96.4Very high1 Ų121.4 Ų21.41%0.00511%0.111CC..Hα-helixtrans-86-36.1178.7-67.4175000112.5A266 Y269 N285 I286 A291 R312 A313 P317A266-L289 HydrophobicContact CB-CB 3.76Å; Y269-L289 HydrophobicContact CD1-CD1 3.19Å; Y269-L289 HydrophobicContact CD2-CD1 3.98Å; Y269-L289 HydrophobicContact CE1-CD1 3.81Å; Y269-L289 HydrophobicContact CE2-CD1 4.49Å; Y269-L289 HydrophobicContact CG-CD1 3.32Å; N285-L289 VanDerWaalsContact O-CB 3.27Å; N285-L289 WeakPolarHBondContact O-CB 3.43Å; N285-L289 WeakPolarHBondContact O-CG 3.41Å; N285-L289 PolarHBondContact O-N 3.18Å; I286-L289 PolarHBondContact O-N 2.85Å; L289-A291 PolarHBondContact O-N 3.03Å; L289-R312 HydrophobicContact CD2-CB 4.21Å; L289-R312 PolarHBondContact O-NE 3.4Å; L289-A313 VanDerWaalsContact CD2-CA 3.48Å; L289-A313 HydrophobicContact CD2-CB 3.89Å; L289-P317 HydrophobicContact CD2-CG 4.12Å
290S98.6Very high96.6Very high0 Ų019.4 Ų19.40%010%0.101CC..  trans-82.9104.1175.3178.40000111.1D262 I286 V287 T292 L293 S294D262-S290 WeakPolarHBondContact OD2-CA 3.42Å; D262-S290 WeakPolarHBondContact OD2-CB 3.5Å; D262-S290 PolarHBondContact OD2-OG 3.38Å; I286-S290 WeakPolarHBondContact O-CB 3.2Å; I286-S290 PolarHBondContact O-N 2.88Å; V287-S290 VanDerWaalsContact O-O 3.07Å; S290-T292 PolarHBondContact O-N 2.92Å; S290-L293 PolarHBondContact O-N 3.11Å; S290-L293 VanDerWaalsContact O-N 3.13Å; S290-L293 PolarHBondContact OG-N 2.92Å; S290-S294 PolarHBondContact O-N 2.68Å; S290-S294 VanDerWaalsContact O-N 3.11Å; S290-S294 PolarHBondContact O-OG 2.86Å; S290-S294 VanDerWaalsContact O-OG 3.06Å
291A98.2Very high96.9Very high0 Ų014.9 Ų14.90%07%0.069CC..Hα-helixtrans-69.6-21.1172.900000112.4D262 L289 L293 W295 F296 E297 Y299D262-A291 PolarHBondContact OD2-N 3.41Å; L289-A291 PolarHBondContact O-N 3.03Å; A291-L293 PolarHBondContact O-N 2.88Å; A291-W295 HydrophobicContact CB-CB 4.24Å; A291-W295 CarbonylContact O-C 3.6Å; A291-W295 VanDerWaalsContact O-CA 3.31Å; A291-W295 WeakPolarHBondContact O-CA 3.44Å; A291-W295 WeakPolarHBondContact O-CB 3.41Å; A291-W295 PolarHBondContact O-N 3.28Å; A291-F296 PolarHBondContact O-N 3.35Å; A291-F296 VanDerWaalsContact O-N 3.08Å; A291-E297 HydrophobicContact CB-CB 3.89Å; A291-E297 PolarHBondContact O-N 3.36Å; A291-E297 VanDerWaalsContact O-N 3.08Å; A291-Y299 WeakPolarHBondContact CB-OH 3.24Å
292T98.3Very high97.1Very high4 Ų410.2 Ų10.23%0.0255%0.048CC..Hα-helixtrans-55.3-37.7168.5-54.20000110.7D262 S290 F296 Y369D262-T292 WeakPolarHBondContact CB-OG1 3.38Å; D262-T292 VanDerWaalsContact OD2-CB 3.25Å; D262-T292 WeakPolarHBondContact OD2-CB 3.27Å; D262-T292 PolarHBondContact OD2-N 3.26Å; D262-T292 PolarHBondContact OD2-OG1 3.32Å; S290-T292 PolarHBondContact O-N 2.92Å; T292-F296 WeakPolarHBondContact O-CA 3.1Å; T292-Y369 HydrophobicContact CG2-CD1 3.9Å; T292-Y369 HydrophobicContact CG2-CE1 3.66Å; T292-Y369 PolarHBondContact O-OH 2.93Å
293L97.7Very high97.2Very high0 Ų011.6 Ų11.60%06%0.056CC..Hα-helixtrans-83.4-62.9177.4-60.3-174.9000112L263 I286 V287 S290 A291 W295 F296 L356 F365 Y369L263-L293 HydrophobicContact CD2-CD1 3.77Å; L263-L293 HydrophobicContact CD2-CD2 3.9Å; L263-L293 HydrophobicContact CD2-CG 3.72Å; I286-L293 HydrophobicContact CG2-CD1 4.14Å; V287-L293 HydrophobicContact CG2-CD1 4.29Å; S290-L293 PolarHBondContact O-N 3.11Å; S290-L293 VanDerWaalsContact O-N 3.13Å; S290-L293 PolarHBondContact OG-N 2.92Å; A291-L293 PolarHBondContact O-N 2.88Å; L293-W295 PolarHBondContact O-N 3.44Å; L293-F296 VanDerWaalsContact O-CD1 3.28Å; L293-F296 WeakPolarHBondContact O-CD1 3.4Å; L293-F296 VanDerWaalsContact O-CE1 3.22Å; L293-F296 WeakPolarHBondContact O-CE1 3.01Å; L293-L356 HydrophobicContact CD1-CD1 3.82Å; L293-F365 HydrophobicContact CB-CD1 3.95Å; L293-F365 HydrophobicContact CB-CE1 4.11Å; L293-F365 HydrophobicContact CB-CG 4.29Å; L293-F365 HydrophobicContact CD2-CB 3.96Å; L293-F365 HydrophobicContact CD2-CD1 4.07Å; L293-F365 HydrophobicContact CD2-CG 4.18Å; L293-F365 WeakPolarHBondContact O-CE1 3.38Å; L293-Y369 HydrophobicContact CD2-CD2 3.86Å; L293-Y369 HydrophobicContact CD2-CG 4.11Å
294S96Very high97.3Very high0 Ų014.3 Ų14.30%07%0.069CC..Hα-helixtrans-73.8-25.8-169.847.10000114.3V165 D166 L167 V287 S290 R312V165-S294 WeakPolarHBondContact CG1-O 3.36Å; D166-S294 WeakPolarHBondContact CA-O 3.39Å; D166-S294 PolarHBondContact N-O 3.46Å; L167-S294 PolarHBondContact N-O 3.18Å; L167-S294 VanDerWaalsContact N-O 3.08Å; V287-S294 WeakPolarHBondContact O-CB 3.29Å; V287-S294 PolarHBondContact O-OG 2.74Å; S290-S294 PolarHBondContact O-N 2.68Å; S290-S294 VanDerWaalsContact O-N 3.11Å; S290-S294 PolarHBondContact O-OG 2.86Å; S290-S294 VanDerWaalsContact O-OG 3.06Å; S294-R312 PolarHBondContact OG-NH2 3.16Å
295W97.5Very high97.4Very high5 Ų510.4 Ų10.42%0.0195%0.054CC..SBendtrans-117.1-1.6-177.1-80.382.7000114D166 L167 R178 L181 R182 D185 A291 L293 E297D166-W295 HydrophobicContact CB-CZ2 4.24Å; D166-W295 VanDerWaalsContact CB-NE1 3.29Å; L167-W295 HydrophobicContact CB-CD2 4.48Å; L167-W295 HydrophobicContact CB-CE3 4.05Å; L167-W295 HydrophobicContact CD1-CE3 3.75Å; L167-W295 HydrophobicContact CD1-CZ3 3.81Å; R178-W295 WeakPolarHBondContact CD-O 3.34Å; L181-W295 HydrophobicContact CB-CH2 4.27Å; L181-W295 HydrophobicContact CB-CZ3 3.77Å; R182-W295 HydrophobicContact CB-CD2 3.55Å; R182-W295 HydrophobicContact CB-CE3 3.61Å; R182-W295 HydrophobicContact CB-CG 4.03Å; R182-W295 HydrophobicContact CB-CH2 4.3Å; R182-W295 HydrophobicContact CB-CZ2 4.26Å; R182-W295 HydrophobicContact CB-CZ3 4Å; R182-W295 HydrophobicContact CG-CD2 3.71Å; R182-W295 HydrophobicContact CG-CE3 4.31Å; R182-W295 HydrophobicContact CG-CG 3.77Å; R182-W295 HydrophobicContact CG-CZ2 4.46Å; D185-W295 HydrophobicContact CB-CH2 4Å; D185-W295 HydrophobicContact CB-CZ2 3.72Å; A291-W295 HydrophobicContact CB-CB 4.24Å; A291-W295 CarbonylContact O-C 3.6Å; A291-W295 VanDerWaalsContact O-CA 3.31Å; A291-W295 WeakPolarHBondContact O-CA 3.44Å; A291-W295 WeakPolarHBondContact O-CB 3.41Å; A291-W295 PolarHBondContact O-N 3.28Å; L293-W295 PolarHBondContact O-N 3.44Å; W295-E297 PolarHBondContact O-N 3.44Å; W295-E297 VanDerWaalsContact O-N 3.17Å
296F96.9Very high97.5Very high0 Ų010.1 Ų10.10%05%0.052CC..  trans46.640.5-169.5-53.6-37.8000112.2Y145 F155 V165 L167 P170 R178 A291 T292 L293 F365 L368 Y369Y145-F296 AromaticContact CD1-CD2 3.85Å; Y145-F296 HydrophobicContact CD1-CD2 3.85Å; Y145-F296 HydrophobicContact CD1-CE2 4.14Å; Y145-F296 HydrophobicContact CD2-CD2 4.44Å; Y145-F296 HydrophobicContact CD2-CE2 4.27Å; Y145-F296 HydrophobicContact CD2-CZ 4.49Å; Y145-F296 AromaticContact CG-CD2 3.73Å; Y145-F296 HydrophobicContact CG-CD2 3.73Å; Y145-F296 AromaticContact CG-CE2 3.98Å; Y145-F296 HydrophobicContact CG-CE2 3.98Å; Y145-F296 HydrophobicContact CG-CG 4.1Å; F155-F296 HydrophobicContact CD2-CE2 4.11Å; F155-F296 AromaticContact CE2-CE2 3.45Å; F155-F296 HydrophobicContact CE2-CE2 3.45Å; F155-F296 VanDerWaalsContact CE2-CE2 3.45Å; F155-F296 AromaticContact CE2-CZ 3.5Å; F155-F296 HydrophobicContact CE2-CZ 3.5Å; F155-F296 AromaticContact CZ-CE2 3.93Å; F155-F296 HydrophobicContact CZ-CE2 3.93Å; F155-F296 AromaticContact CZ-CZ 3.59Å; F155-F296 HydrophobicContact CZ-CZ 3.59Å; V165-F296 HydrophobicContact CG1-CD2 4.49Å; V165-F296 HydrophobicContact CG1-CE2 3.86Å; V165-F296 HydrophobicContact CG1-CZ 3.95Å; V165-F296 HydrophobicContact CG2-CE2 4.35Å; V165-F296 HydrophobicContact CG2-CZ 3.76Å; L167-F296 HydrophobicContact CD2-CD2 4.09Å; P170-F296 HydrophobicContact CB-CD2 3.89Å; P170-F296 HydrophobicContact CB-CE2 3.66Å; P170-F296 HydrophobicContact CG-CD2 4.39Å; P170-F296 HydrophobicContact CG-CE2 3.89Å; R178-F296 WeakPolarHBondContact CD-O 3.44Å; R178-F296 PolarHBondContact NH1-O 3.45Å; A291-F296 PolarHBondContact O-N 3.35Å; A291-F296 VanDerWaalsContact O-N 3.08Å; T292-F296 WeakPolarHBondContact O-CA 3.1Å; L293-F296 VanDerWaalsContact O-CD1 3.28Å; L293-F296 WeakPolarHBondContact O-CD1 3.4Å; L293-F296 VanDerWaalsContact O-CE1 3.22Å; L293-F296 WeakPolarHBondContact O-CE1 3.01Å; F296-F365 HydrophobicContact CE1-CD1 4.46Å; F296-F365 HydrophobicContact CE1-CE1 4.09Å; F296-L368 HydrophobicContact CE1-CD1 3.89Å; F296-L368 HydrophobicContact CZ-CD1 3.91Å; F296-Y369 AromaticContact CD1-CE2 3.66Å; F296-Y369 HydrophobicContact CD1-CE2 3.66Å; F296-Y369 AromaticContact CD1-CZ 3.9Å; F296-Y369 VanDerWaalsContact CD1-OH 3.28Å; F296-Y369 WeakPolarHBondContact CD1-OH 3.35Å; F296-Y369 AromaticContact CE1-CE2 3.87Å; F296-Y369 HydrophobicContact CE1-CE2 3.87Å
297E96.8Very high97.6Very high9 Ų911.1 Ų11.14%0.0426%0.059CC..  trans-64.8141.6179.3-174.878.4179.800110.2S179 R182 A291 W295 Y299S179-E297 WeakPolarHBondContact CA-OE2 3.3Å; S179-E297 WeakPolarHBondContact CB-OE1 3.34Å; S179-E297 PolarHBondContact N-OE2 2.72Å; S179-E297 PolarHBondContact OG-OE1 2.96Å; R182-E297 IonicContact CZ-OE1 2.66Å; R182-E297 IonicContact CZ-OE2 2.89Å; R182-E297 VanDerWaalsContact CZ-OE2 3.32Å; R182-E297 IonicContact NE-OE2 3.88Å; R182-E297 IonicContact NH1-OE1 3.11Å; R182-E297 IonicContact NH1-OE2 2.98Å; R182-E297 PolarHBondContact NH1-OE2 3.39Å; R182-E297 IonicContact NH2-OE1 3.73Å; R182-E297 PolarHBondContact NH2-OE1 2.85Å; R182-E297 IonicContact NH2-OE2 2.65Å; R182-E297 PolarHBondContact NH2-OE2 3.19Å; A291-E297 HydrophobicContact CB-CB 3.89Å; A291-E297 PolarHBondContact O-N 3.36Å; A291-E297 VanDerWaalsContact O-N 3.08Å; W295-E297 PolarHBondContact O-N 3.44Å; W295-E297 VanDerWaalsContact O-N 3.17Å; E297-Y299 HydrophobicContact CB-CE2 4.37Å; E297-Y299 HydrophobicContact CG-CD1 3.86Å; E297-Y299 HydrophobicContact CG-CD2 4.34Å; E297-Y299 HydrophobicContact CG-CE1 3.57Å; E297-Y299 HydrophobicContact CG-CE2 4.07Å; E297-Y299 HydrophobicContact CG-CG 4.26Å
298V96.3Very high97.6Very high46 Ų4611.2 Ų11.228%0.2796%0.059SC..  trans-116.5118.3168-179.70000108V175 M255 H300V175-V298 HydrophobicContact CG1-CB 4.1Å; V175-V298 HydrophobicContact CG1-CG2 3.86Å; M255-V298 HydrophobicContact CB-CG1 4.05Å; M255-V298 HydrophobicContact CE-CG1 3.97Å; M255-V298 HydrophobicContact CG-CG1 3.73Å; M255-V298 HydrophobicContact SD-CG1 3.63Å; V298-H300 PolarHBondContact O-CE1 3.02Å; V298-H300 PolarHBondContact O-ND1 2.96Å
299Y97Very high97.7Very high2 Ų29.8 Ų9.81%0.0085%0.053CC..  trans-93.5136.7-178.8-60.8-73.3000111.4R182 M255 L258 D262 A291 E297 E304 V305 S308R182-Y299 PolarHBondContact NH1-OH 2.78Å; M255-Y299 VanDerWaalsContact CG-O 3.22Å; M255-Y299 WeakPolarHBondContact CG-O 3.19Å; L258-Y299 WeakPolarHBondContact CD1-O 3.17Å; D262-Y299 HydrophobicContact CB-CD2 4.42Å; D262-Y299 HydrophobicContact CB-CE2 3.66Å; D262-Y299 PolarHBondContact OD1-OH 3.2Å; A291-Y299 WeakPolarHBondContact CB-OH 3.24Å; E297-Y299 HydrophobicContact CB-CE2 4.37Å; E297-Y299 HydrophobicContact CG-CD1 3.86Å; E297-Y299 HydrophobicContact CG-CD2 4.34Å; E297-Y299 HydrophobicContact CG-CE1 3.57Å; E297-Y299 HydrophobicContact CG-CE2 4.07Å; E297-Y299 HydrophobicContact CG-CG 4.26Å; Y299-E304 HydrophobicContact CD1-CB 3.92Å; Y299-V305 HydrophobicContact CD1-CB 3.91Å; Y299-V305 HydrophobicContact CD2-CB 4.02Å; Y299-V305 HydrophobicContact CD2-CG2 4.1Å; Y299-V305 HydrophobicContact CE1-CB 4.07Å; Y299-V305 HydrophobicContact CE1-CG2 4.45Å; Y299-V305 HydrophobicContact CE2-CB 4.19Å; Y299-V305 HydrophobicContact CE2-CG2 3.92Å; Y299-V305 HydrophobicContact CG-CB 3.85Å; Y299-V305 HydrophobicContact CG-CG2 4.43Å; Y299-S308 WeakPolarHBondContact OH-CB 3.36Å; Y299-S308 PolarHBondContact OH-OG 3.39Å
300H95.8Very high97.7Very high26 Ų269.9 Ų9.912%0.125%0.053CC..  trans-106-19.2-176.5-52.577.3000112.2K254 M255 V298 E304K254-H300 WeakPolarHBondContact CE-O 3.39Å; K254-H300 PolarHBondContact NZ-O 2.93Å; M255-H300 WeakPolarHBondContact CE-CD2 3.5Å; M255-H300 WeakPolarHBondContact CE-NE2 3.31Å; V298-H300 PolarHBondContact O-CE1 3.02Å; V298-H300 PolarHBondContact O-ND1 2.96Å; H300-E304 IonicContact CG-OE2 2.75Å; H300-E304 PolarHBondContact N-OE2 3.44Å; H300-E304 IonicContact ND1-OE2 2.7Å; H300-E304 PolarHBondContact ND1-OE2 3.07Å
301S97.4Very high97.7Very high0 Ų010.1 Ų10.10%05%0.054CC..SBendtrans-147.1158.2177.571.70000112.1W124 D127 E304W124-S301 CarbonylContact O-C 3.57Å; W124-S301 WeakPolarHBondContact O-CA 3.4Å; D127-S301 VanDerWaalsContact OD1-CB 3.24Å; D127-S301 WeakPolarHBondContact OD1-CB 3.39Å; D127-S301 PolarHBondContact OD1-OG 2.96Å; S301-E304 WeakPolarHBondContact O-CB 3.3Å; S301-E304 PolarHBondContact O-N 3.43Å; S301-E304 VanDerWaalsContact O-N 3.15Å; S301-E304 WeakPolarHBondContact OG-CG 3.47Å
302L98.5Very high97.7Very high0 Ų010.1 Ų10.10%05%0.054CC..Hα-helixtrans-58-41.7176.817366.7000112.9W124 F125 L258 L261 E304 V305 V306 L389 L393 F396W124-L302 HydrophobicContact CB-CB 3.96Å; W124-L302 HydrophobicContact CB-CD2 4.3Å; W124-L302 WeakPolarHBondContact O-CB 3.42Å; W124-L302 PolarHBondContact O-N 3.1Å; F125-L302 HydrophobicContact CE1-CD2 3.93Å; F125-L302 HydrophobicContact CZ-CD2 3.89Å; L258-L302 HydrophobicContact CD2-CB 4.27Å; L261-L302 HydrophobicContact CD2-CD1 3.65Å; L302-E304 VanDerWaalsContact C-N 3.28Å; L302-E304 PolarHBondContact O-N 3.27Å; L302-V305 HydrophobicContact CD1-CG1 4.23Å; L302-V305 VanDerWaalsContact O-CG1 3.24Å; L302-V305 WeakPolarHBondContact O-CG1 3.37Å; L302-V305 PolarHBondContact O-N 2.87Å; L302-V306 HydrophobicContact CD1-CG2 3.9Å; L302-V306 HydrophobicContact CG-CG2 4.37Å; L302-V306 VanDerWaalsContact O-CG2 3.32Å; L302-V306 WeakPolarHBondContact O-CG2 3.14Å; L302-V306 PolarHBondContact O-N 2.69Å; L302-V306 VanDerWaalsContact O-N 3.16Å; L302-L389 HydrophobicContact CD1-CD1 3.99Å; L302-L393 HydrophobicContact CD1-CB 4.43Å; L302-L393 HydrophobicContact CD1-CD1 3.9Å; L302-F396 HydrophobicContact CD2-CB 4.3Å
303P98Very high97.8Very high32 Ų3210 Ų1021%0.2085%0.053CC..Hα-helixtrans-54.8-40.5172.2-28.636.3000113.6F125 V306 V307 F396F125-P303 HydrophobicContact CD1-CG 4.21Å; P303-V306 PolarHBondContact O-N 3.04Å; P303-V307 VanDerWaalsContact O-CB 3.26Å; P303-V307 WeakPolarHBondContact O-CB 3.19Å; P303-V307 WeakPolarHBondContact O-CG2 3.48Å; P303-V307 PolarHBondContact O-N 3.2Å; P303-F396 HydrophobicContact CB-CE2 4.07Å; P303-F396 HydrophobicContact CB-CZ 3.94Å; P303-F396 HydrophobicContact CG-CD2 4.41Å; P303-F396 HydrophobicContact CG-CE2 3.87Å; P303-F396 HydrophobicContact CG-CZ 4.23Å
304E97.6Very high97.8Very high57 Ų5710 Ų1027%0.2665%0.053SC..Hα-helixtrans-62-47.8-178-68.5176.1176.200112.5Y299 H300 S301 L302 S308Y299-E304 HydrophobicContact CD1-CB 3.92Å; H300-E304 IonicContact CG-OE2 2.75Å; H300-E304 PolarHBondContact N-OE2 3.44Å; H300-E304 IonicContact ND1-OE2 2.7Å; H300-E304 PolarHBondContact ND1-OE2 3.07Å; S301-E304 WeakPolarHBondContact O-CB 3.3Å; S301-E304 PolarHBondContact O-N 3.43Å; S301-E304 VanDerWaalsContact O-N 3.15Å; S301-E304 WeakPolarHBondContact OG-CG 3.47Å; L302-E304 VanDerWaalsContact C-N 3.28Å; L302-E304 PolarHBondContact O-N 3.27Å; E304-S308 WeakPolarHBondContact O-CB 3.28Å; E304-S308 PolarHBondContact O-N 3.26Å
305V98.6Very high97.9Very high0 Ų010 Ų100%05%0.054CC..Hα-helixtrans-67.5-40.5179.5610000112.1L258 L261 D262 F265 Y299 L302 S308 F309L258-V305 HydrophobicContact CD2-CG1 3.85Å; L261-V305 HydrophobicContact CD2-CG1 3.91Å; L261-V305 HydrophobicContact CG-CG2 4.48Å; D262-V305 HydrophobicContact CB-CG2 3.72Å; F265-V305 HydrophobicContact CD2-CG2 4.39Å; F265-V305 HydrophobicContact CE2-CG2 4.33Å; Y299-V305 HydrophobicContact CD1-CB 3.91Å; Y299-V305 HydrophobicContact CD2-CB 4.02Å; Y299-V305 HydrophobicContact CD2-CG2 4.1Å; Y299-V305 HydrophobicContact CE1-CB 4.07Å; Y299-V305 HydrophobicContact CE1-CG2 4.45Å; Y299-V305 HydrophobicContact CE2-CB 4.19Å; Y299-V305 HydrophobicContact CE2-CG2 3.92Å; Y299-V305 HydrophobicContact CG-CB 3.85Å; Y299-V305 HydrophobicContact CG-CG2 4.43Å; L302-V305 HydrophobicContact CD1-CG1 4.23Å; L302-V305 VanDerWaalsContact O-CG1 3.24Å; L302-V305 WeakPolarHBondContact O-CG1 3.37Å; L302-V305 PolarHBondContact O-N 2.87Å; V305-S308 PolarHBondContact O-N 3.49Å; V305-F309 WeakPolarHBondContact O-CB 3.43Å; V305-F309 PolarHBondContact O-N 3.08Å
306V98.8Very high98Very high0 Ų010.6 Ų10.60%06%0.056CC..Hα-helixtrans-67.5-42.2178.4179.80000111F265 L302 P303 F309 Y310 K329 L393 F396 M398F265-V306 HydrophobicContact CE2-CG2 4.12Å; F265-V306 HydrophobicContact CZ-CG2 4.13Å; L302-V306 HydrophobicContact CD1-CG2 3.9Å; L302-V306 HydrophobicContact CG-CG2 4.37Å; L302-V306 VanDerWaalsContact O-CG2 3.32Å; L302-V306 WeakPolarHBondContact O-CG2 3.14Å; L302-V306 PolarHBondContact O-N 2.69Å; L302-V306 VanDerWaalsContact O-N 3.16Å; P303-V306 PolarHBondContact O-N 3.04Å; V306-F309 PolarHBondContact O-N 3.12Å; V306-Y310 HydrophobicContact CG1-CD2 3.97Å; V306-Y310 HydrophobicContact CG1-CE2 3.86Å; V306-Y310 VanDerWaalsContact O-CD2 3.25Å; V306-Y310 WeakPolarHBondContact O-CD2 3.41Å; V306-Y310 PolarHBondContact O-N 3.07Å; V306-Y310 VanDerWaalsContact O-N 3.07Å; V306-K329 HydrophobicContact CG1-CD 4.28Å; V306-L393 HydrophobicContact CG2-CD1 3.55Å; V306-F396 HydrophobicContact CB-CD1 4.12Å; V306-F396 HydrophobicContact CB-CE1 3.83Å; V306-F396 HydrophobicContact CG1-CD1 3.95Å; V306-F396 HydrophobicContact CG1-CE1 3.71Å; V306-F396 HydrophobicContact CG2-CD1 4.11Å; V306-F396 HydrophobicContact CG2-CE1 4.32Å; V306-M398 HydrophobicContact CG1-CB 4.49Å; V306-M398 HydrophobicContact CG1-CG 4.24Å; V306-M398 HydrophobicContact CG1-SD 3.94Å
307V98.5Very high98Very high21 Ų2110.7 Ų10.713%0.1276%0.057CC..Hα-helixtrans-62.4-45.9176169.30000110.7P303 Y310 R311 M398 F402P303-V307 VanDerWaalsContact O-CB 3.26Å; P303-V307 WeakPolarHBondContact O-CB 3.19Å; P303-V307 WeakPolarHBondContact O-CG2 3.48Å; P303-V307 PolarHBondContact O-N 3.2Å; V307-Y310 PolarHBondContact O-N 3.18Å; V307-R311 HydrophobicContact CG1-CG 4.37Å; V307-R311 WeakPolarHBondContact O-CB 3.22Å; V307-R311 WeakPolarHBondContact O-CG 3.36Å; V307-R311 PolarHBondContact O-N 2.89Å; V307-M398 HydrophobicContact CB-CE 4.37Å; V307-M398 HydrophobicContact CG2-CE 3.86Å; V307-M398 HydrophobicContact CG2-SD 4.19Å; V307-F402 VanDerWaalsContact CG1-O 3.26Å; V307-F402 WeakPolarHBondContact CG1-O 3.45Å; V307-F402 HydrophobicContact CG2-CB 3.82Å
308S98.6Very high97.8Very high2 Ų216 Ų161%0.0149%0.085CC..Hα-helixtrans-61.3-47.2178.4-177.30000111.6R182 Y299 E304 V305 Y310 R311 R312R182-S308 VanDerWaalsContact CZ-OG 3.29Å; R182-S308 PolarHBondContact NH1-OG 3.31Å; Y299-S308 WeakPolarHBondContact OH-CB 3.36Å; Y299-S308 PolarHBondContact OH-OG 3.39Å; E304-S308 WeakPolarHBondContact O-CB 3.28Å; E304-S308 PolarHBondContact O-N 3.26Å; V305-S308 PolarHBondContact O-N 3.49Å; S308-Y310 PolarHBondContact O-N 3.33Å; S308-R311 PolarHBondContact O-N 2.8Å; S308-R312 WeakPolarHBondContact O-CB 3.26Å; S308-R312 WeakPolarHBondContact O-CG 3.35Å; S308-R312 PolarHBondContact O-N 3.1Å
309F98.8Very high97.9Very high0 Ų014 Ų140%07%0.072CC..Hα-helixtrans-56.3-50.1177.3168.5-112.8000111.9F265 Y269 V305 V306 R311 R312 A313 C325 I328F265-F309 HydrophobicContact CB-CB 4.35Å; F265-F309 HydrophobicContact CB-CD1 4.21Å; F265-F309 HydrophobicContact CB-CD2 3.52Å; F265-F309 HydrophobicContact CB-CE1 4.46Å; F265-F309 HydrophobicContact CB-CE2 3.8Å; F265-F309 HydrophobicContact CB-CG 3.74Å; F265-F309 HydrophobicContact CB-CZ 4.28Å; F265-F309 HydrophobicContact CD1-CD1 4.31Å; F265-F309 HydrophobicContact CD1-CE1 4.46Å; F265-F309 HydrophobicContact CD2-CB 3.67Å; F265-F309 HydrophobicContact CD2-CD1 4.05Å; F265-F309 HydrophobicContact CD2-CD2 4.39Å; F265-F309 AromaticContact CD2-CG 3.76Å; F265-F309 HydrophobicContact CD2-CG 3.76Å; F265-F309 HydrophobicContact CE2-CB 4.24Å; F265-F309 HydrophobicContact CE2-CD1 4.47Å; F265-F309 HydrophobicContact CE2-CG 4.49Å; F265-F309 HydrophobicContact CG-CB 4.25Å; F265-F309 AromaticContact CG-CD1 3.97Å; F265-F309 HydrophobicContact CG-CD1 3.97Å; F265-F309 HydrophobicContact CG-CD2 4.14Å; F265-F309 HydrophobicContact CG-CE1 4.41Å; F265-F309 AromaticContact CG-CG 3.83Å; F265-F309 HydrophobicContact CG-CG 3.83Å; Y269-F309 HydrophobicContact CD2-CE2 4.49Å; Y269-F309 HydrophobicContact CD2-CZ 4.36Å; V305-F309 WeakPolarHBondContact O-CB 3.43Å; V305-F309 PolarHBondContact O-N 3.08Å; V306-F309 PolarHBondContact O-N 3.12Å; F309-R311 PolarHBondContact O-N 3.36Å; F309-R312 PolarHBondContact O-N 3.24Å; F309-A313 HydrophobicContact CD2-CB 4.46Å; F309-A313 HydrophobicContact CE2-CB 4.04Å; F309-A313 HydrophobicContact CZ-CB 4.18Å; F309-A313 VanDerWaalsContact O-CB 3.25Å; F309-A313 WeakPolarHBondContact O-CB 3.28Å; F309-A313 PolarHBondContact O-N 3.36Å; F309-C325 HydrophobicContact CE1-CB 4.28Å; F309-I328 HydrophobicContact CE1-CB 3.99Å; F309-I328 HydrophobicContact CE1-CG2 3.92Å; F309-I328 HydrophobicContact CE2-CG2 4.33Å; F309-I328 HydrophobicContact CZ-CB 3.78Å; F309-I328 HydrophobicContact CZ-CG1 4.16Å; F309-I328 HydrophobicContact CZ-CG2 3.51Å
310Y98.8Very high97.9Very high3 Ų315.1 Ų15.11%0.0128%0.077CC..Hα-helixtrans-62-46179.2-86.7-117.6000111.7V306 V307 S308 R312 A313 L314 W322 C325 T326 K329 M398V306-Y310 HydrophobicContact CG1-CD2 3.97Å; V306-Y310 HydrophobicContact CG1-CE2 3.86Å; V306-Y310 VanDerWaalsContact O-CD2 3.25Å; V306-Y310 WeakPolarHBondContact O-CD2 3.41Å; V306-Y310 PolarHBondContact O-N 3.07Å; V306-Y310 VanDerWaalsContact O-N 3.07Å; V307-Y310 PolarHBondContact O-N 3.18Å; S308-Y310 PolarHBondContact O-N 3.33Å; Y310-R312 VanDerWaalsContact C-N 3.29Å; Y310-R312 PolarHBondContact O-N 3.27Å; Y310-A313 PolarHBondContact O-N 3.35Å; Y310-L314 WeakPolarHBondContact O-CB 3.19Å; Y310-L314 WeakPolarHBondContact O-CG 3.44Å; Y310-L314 PolarHBondContact O-N 3.14Å; Y310-W322 HydrophobicContact CD1-CD2 4.16Å; Y310-W322 AromaticContact CD1-CE3 3.79Å; Y310-W322 HydrophobicContact CD1-CE3 3.79Å; Y310-W322 AromaticContact CD1-CH2 3.68Å; Y310-W322 HydrophobicContact CD1-CH2 3.68Å; Y310-W322 HydrophobicContact CD1-CZ2 4.09Å; Y310-W322 AromaticContact CD1-CZ3 3.54Å; Y310-W322 HydrophobicContact CD1-CZ3 3.54Å; Y310-W322 HydrophobicContact CE1-CD2 4.04Å; Y310-W322 AromaticContact CE1-CE2 3.85Å; Y310-W322 HydrophobicContact CE1-CE3 4.15Å; Y310-W322 AromaticContact CE1-CH2 3.86Å; Y310-W322 HydrophobicContact CE1-CH2 3.86Å; Y310-W322 AromaticContact CE1-CZ2 3.77Å; Y310-W322 HydrophobicContact CE1-CZ2 3.77Å; Y310-W322 HydrophobicContact CE1-CZ3 4.07Å; Y310-C325 HydrophobicContact CD1-CB 3.59Å; Y310-C325 HydrophobicContact CD2-CB 4.15Å; Y310-C325 HydrophobicContact CE1-CB 3.5Å; Y310-C325 HydrophobicContact CE2-CB 4.07Å; Y310-C325 HydrophobicContact CG-CB 3.94Å; Y310-T326 WeakPolarHBondContact OH-CA 3.45Å; Y310-T326 PolarHBondContact OH-N 2.71Å; Y310-T326 PolarHBondContact OH-OG1 3.09Å; Y310-K329 HydrophobicContact CE2-CB 4.36Å; Y310-K329 HydrophobicContact CE2-CD 4.35Å; Y310-M398 HydrophobicContact CD1-CE 4.25Å; Y310-M398 HydrophobicContact CD1-CG 3.98Å; Y310-M398 HydrophobicContact CD2-CE 4.41Å; Y310-M398 HydrophobicContact CD2-CG 4.23Å; Y310-M398 HydrophobicContact CE1-CB 4.45Å; Y310-M398 HydrophobicContact CE1-CG 3.75Å; Y310-M398 HydrophobicContact CE2-CG 4.02Å; Y310-M398 HydrophobicContact CG-CE 3.96Å; Y310-M398 HydrophobicContact CG-CG 4.2Å
311R98.6Very high98Very high6 Ų614 Ų142%0.0237%0.072CC..Hα-helixtrans-55.1-46.7177.3-80.7-177.462.696.23111.4K183 E186 V307 S308 F309 L314 T315 V403 D404 L405K183-R311 PolarHBondContact O-NH2 2.85Å; E186-R311 IonicContact OE2-CZ 3.72Å; E186-R311 IonicContact OE2-NE 3.53Å; E186-R311 PolarHBondContact OE2-NE 3.43Å; E186-R311 IonicContact OE2-NH2 2.92Å; V307-R311 HydrophobicContact CG1-CG 4.37Å; V307-R311 WeakPolarHBondContact O-CB 3.22Å; V307-R311 WeakPolarHBondContact O-CG 3.36Å; V307-R311 PolarHBondContact O-N 2.89Å; S308-R311 PolarHBondContact O-N 2.8Å; F309-R311 PolarHBondContact O-N 3.36Å; R311-L314 PolarHBondContact O-N 2.8Å; R311-T315 WeakPolarHBondContact O-CB 3.32Å; R311-T315 PolarHBondContact O-N 2.92Å; R311-T315 PolarHBondContact O-OG1 3.45Å; R311-V403 WeakPolarHBondContact CD-O 3.39Å; R311-V403 HydrophobicContact CG-CB 3.58Å; R311-V403 HydrophobicContact CG-CG1 3.95Å; R311-V403 VanDerWaalsContact CG-O 3.31Å; R311-V403 WeakPolarHBondContact CG-O 3.37Å; R311-V403 PolarHBondContact NH1-O 3.46Å; R311-D404 PolarHBondContact NH1-O 2.83Å; R311-L405 HydrophobicContact CG-CD1 4.47Å
312R98.6Very high98Very high0 Ų015.8 Ų15.80%08%0.079CC..Hα-helixtrans-72-42.8-176.7-64.5178.775.482.70.7112.6D166 E186 K288 L289 S294 S308 F309 Y310 L314 T315 Y316 P317D166-R312 IonicContact OD2-NH2 3.55Å; E186-R312 HydrophobicContact CG-CG 4.3Å; E186-R312 WeakPolarHBondContact OE1-CD 3.25Å; E186-R312 WeakPolarHBondContact OE1-CG 3.39Å; E186-R312 IonicContact OE1-CZ 3.26Å; E186-R312 IonicContact OE1-NH1 2.96Å; E186-R312 PolarHBondContact OE1-NH1 3.42Å; K288-R312 PolarHBondContact O-NE 2.96Å; K288-R312 PolarHBondContact O-NH2 3.27Å; L289-R312 HydrophobicContact CD2-CB 4.21Å; L289-R312 PolarHBondContact O-NE 3.4Å; S294-R312 PolarHBondContact OG-NH2 3.16Å; S308-R312 WeakPolarHBondContact O-CB 3.26Å; S308-R312 WeakPolarHBondContact O-CG 3.35Å; S308-R312 PolarHBondContact O-N 3.1Å; F309-R312 PolarHBondContact O-N 3.24Å; Y310-R312 VanDerWaalsContact C-N 3.29Å; Y310-R312 PolarHBondContact O-N 3.27Å; R312-L314 PolarHBondContact O-N 3.33Å; R312-T315 PolarHBondContact O-N 3.01Å; R312-Y316 HydrophobicContact CB-CD2 3.97Å; R312-Y316 HydrophobicContact CB-CE2 4.16Å; R312-Y316 HydrophobicContact CG-CD2 4.38Å; R312-Y316 HydrophobicContact CG-CE2 4.06Å; R312-Y316 WeakPolarHBondContact O-CD2 3.14Å; R312-Y316 PolarHBondContact O-N 2.95Å; R312-P317 WeakPolarHBondContact O-CD 3.28Å
313A98.6Very high97.9Very high0 Ų022.6 Ų22.60%011%0.108CC..Hα-helixtrans-64.6-25.9176.500000113Y269 L289 F309 Y310 P317 R320 C325Y269-A313 HydrophobicContact CD2-CB 4.36Å; Y269-A313 HydrophobicContact CE2-CB 4.27Å; L289-A313 VanDerWaalsContact CD2-CA 3.48Å; L289-A313 HydrophobicContact CD2-CB 3.89Å; F309-A313 HydrophobicContact CD2-CB 4.46Å; F309-A313 HydrophobicContact CE2-CB 4.04Å; F309-A313 HydrophobicContact CZ-CB 4.18Å; F309-A313 VanDerWaalsContact O-CB 3.25Å; F309-A313 WeakPolarHBondContact O-CB 3.28Å; F309-A313 PolarHBondContact O-N 3.36Å; Y310-A313 PolarHBondContact O-N 3.35Å; A313-P317 WeakPolarHBondContact O-CD 3.5Å; A313-P317 WeakPolarHBondContact O-CG 2.98Å; A313-R320 WeakPolarHBondContact O-CA 3.24Å; A313-C325 VanDerWaalsContact CB-SG 3.53Å
314L98.7Very high97.9Very high0 Ų021 Ų210%010%0.098CC..THydrogen-bonded Turntrans-87.6-4.8173.5-62.4176.9000113.8F190 Y195 Y310 R311 R312 R320 W322 L407F190-L314 WeakPolarHBondContact CD2-O 3.34Å; F190-L314 HydrophobicContact CE2-CB 4.44Å; F190-L314 WeakPolarHBondContact CE2-O 3.26Å; Y195-L314 HydrophobicContact CD2-CD2 4.02Å; Y195-L314 HydrophobicContact CE2-CD1 4.42Å; Y195-L314 HydrophobicContact CE2-CD2 3.8Å; Y310-L314 WeakPolarHBondContact O-CB 3.19Å; Y310-L314 WeakPolarHBondContact O-CG 3.44Å; Y310-L314 PolarHBondContact O-N 3.14Å; R311-L314 PolarHBondContact O-N 2.8Å; R312-L314 PolarHBondContact O-N 3.33Å; L314-R320 WeakPolarHBondContact CD2-O 3.47Å; L314-R320 WeakPolarHBondContact O-CD 3.25Å; L314-W322 HydrophobicContact CD1-CE3 3.95Å; L314-W322 HydrophobicContact CD1-CZ3 4.39Å; L314-L407 HydrophobicContact CD1-CD1 3.67Å
315T98.6Very high98Very high2 Ų218.3 Ų18.31%0.0129%0.086CC..THydrogen-bonded Turntrans-112.1-44.6-173.5-62.70000112.8E186 K189 F190 R311 R312 R320E186-T315 WeakPolarHBondContact O-CG2 3.43Å; K189-T315 HydrophobicContact CB-CG2 3.84Å; F190-T315 HydrophobicContact CB-CG2 4.46Å; R311-T315 WeakPolarHBondContact O-CB 3.32Å; R311-T315 PolarHBondContact O-N 2.92Å; R311-T315 PolarHBondContact O-OG1 3.45Å; R312-T315 PolarHBondContact O-N 3.01Å; T315-R320 PolarHBondContact O-NE 3.25Å; T315-R320 PolarHBondContact O-NH1 3.18Å; T315-R320 PolarHBondContact O-NH2 3.3Å
316Y98.1Very high98Very high16 Ų1621.2 Ų21.26%0.06310%0.104CC..SBendtrans-99.9-61.2-166-62.1-70000114.8D185 E186 K189 K288 R312 R320D185-Y316 PolarHBondContact OD2-OH 3.29Å; E186-Y316 HydrophobicContact CG-CE2 4Å; K189-Y316 HydrophobicContact CB-CE1 4.27Å; K189-Y316 HydrophobicContact CD-CE1 3.6Å; K288-Y316 HydrophobicContact CB-CG 4.44Å; R312-Y316 HydrophobicContact CB-CD2 3.97Å; R312-Y316 HydrophobicContact CB-CE2 4.16Å; R312-Y316 HydrophobicContact CG-CD2 4.38Å; R312-Y316 HydrophobicContact CG-CE2 4.06Å; R312-Y316 WeakPolarHBondContact O-CD2 3.14Å; R312-Y316 PolarHBondContact O-N 2.95Å; Y316-R320 PolarHBondContact O-NH2 3Å
317P97.1Very high97.9Very high3 Ų322.3 Ų22.32%0.01911%0.109CC..SBendtrans-75.4179-163.336.9-41.7000112.8Y269 W284 L289 R312 A313 V319 R320Y269-P317 HydrophobicContact CE1-CB 3.63Å; Y269-P317 HydrophobicContact CE1-CG 3.85Å; Y269-P317 HydrophobicContact CE2-CG 3.98Å; Y269-P317 WeakPolarHBondContact OH-CB 3.3Å; Y269-P317 WeakPolarHBondContact OH-CG 3.35Å; W284-P317 HydrophobicContact CZ3-CB 4.45Å; L289-P317 HydrophobicContact CD2-CG 4.12Å; R312-P317 WeakPolarHBondContact O-CD 3.28Å; A313-P317 WeakPolarHBondContact O-CD 3.5Å; A313-P317 WeakPolarHBondContact O-CG 2.98Å; P317-V319 PolarHBondContact O-N 3.19Å; P317-R320 WeakPolarHBondContact O-CG 3.13Å; P317-R320 PolarHBondContact O-NE 3.2Å
318L93.4Very high97.9Very high120 Ų12021.3 Ų21.363%0.62810%0.103SC*.SBendtrans-65-34.5-178.8-177.464000113.2H194H194-L318 PolarHBondContact CE1-O 3.2Å
319V97.3Very high97.9Very high3 Ų322.4 Ų22.42%0.01811%0.108CC..  trans-107.4102.9179.3-177.80000109.8W205 M208 Y269 V273 P317 F324W205-V319 HydrophobicContact CB-CB 4.4Å; W205-V319 HydrophobicContact CB-CG1 3.85Å; W205-V319 HydrophobicContact CB-CG2 3.61Å; W205-V319 HydrophobicContact CD2-CG1 3.77Å; W205-V319 HydrophobicContact CE3-CG1 4.23Å; W205-V319 HydrophobicContact CG-CG1 3.56Å; W205-V319 HydrophobicContact CG-CG2 4.18Å; M208-V319 HydrophobicContact CE-CG2 4.42Å; M208-V319 HydrophobicContact SD-CG2 3.77Å; Y269-V319 WeakPolarHBondContact OH-CA 3.48Å; Y269-V319 WeakPolarHBondContact OH-CB 3.47Å; Y269-V319 PolarHBondContact OH-N 3.41Å; Y269-V319 VanDerWaalsContact OH-N 3.08Å; Y269-V319 PolarHBondContact OH-O 3.27Å; V273-V319 HydrophobicContact CG2-CG2 4.4Å; P317-V319 PolarHBondContact O-N 3.19Å; V319-F324 HydrophobicContact CB-CD1 4.43Å; V319-F324 HydrophobicContact CG1-CB 4.06Å; V319-F324 HydrophobicContact CG1-CD1 3.99Å; V319-F324 HydrophobicContact CG1-CD2 4.17Å; V319-F324 HydrophobicContact CG1-CE1 4.45Å; V319-F324 HydrophobicContact CG1-CG 3.82Å
320R97.4Very high97.8Very high26 Ų2630 Ų3010%0.09814%0.136CC..  trans-105.857.2-176-55.4-176-167.7177.2-4111.3H194 Y195 D198 A313 L314 T315 Y316 P317H194-R320 VanDerWaalsContact CD2-CZ 3.48Å; H194-R320 WeakPolarHBondContact ND1-CD 3.24Å; Y195-R320 WeakPolarHBondContact CD2-O 3.27Å; D198-R320 WeakPolarHBondContact OD2-CA 3.42Å; D198-R320 WeakPolarHBondContact OD2-CB 3.35Å; D198-R320 PolarHBondContact OD2-N 2.96Å; A313-R320 WeakPolarHBondContact O-CA 3.24Å; L314-R320 WeakPolarHBondContact CD2-O 3.47Å; L314-R320 WeakPolarHBondContact O-CD 3.25Å; T315-R320 PolarHBondContact O-NE 3.25Å; T315-R320 PolarHBondContact O-NH1 3.18Å; T315-R320 PolarHBondContact O-NH2 3.3Å; Y316-R320 PolarHBondContact O-NH2 3Å; P317-R320 WeakPolarHBondContact O-CG 3.13Å; P317-R320 PolarHBondContact O-NE 3.2Å
321S97.5Very high97.8Very high4 Ų430 Ų303%0.02814%0.137CC..  trans-113130.5-173.91680000113.1W205 K323 F324 C325W205-S321 WeakPolarHBondContact CH2-OG 3.41Å; W205-S321 WeakPolarHBondContact CZ2-OG 3.41Å; S321-K323 VanDerWaalsContact C-N 3.27Å; S321-K323 PolarHBondContact O-N 3.31Å; S321-K323 PolarHBondContact OG-N 2.86Å; S321-F324 WeakPolarHBondContact O-CB 3.21Å; S321-F324 PolarHBondContact O-N 3.46Å; S321-F324 VanDerWaalsContact O-N 3.15Å; S321-F324 PolarHBondContact OG-N 3.43Å; S321-C325 PolarHBondContact O-N 3.41Å; S321-C325 PolarHBondContact O-SG 2.78Å
322W98Very high97.8Very high36 Ų3629.8 Ų29.814%0.13614%0.136CC..Hα-helixtrans-59.8-38.3174.1-177.3-84.5000112.3Y310 L314 F324 C325 T326 M398 K399 K400 V403 L407Y310-W322 HydrophobicContact CD1-CD2 4.16Å; Y310-W322 AromaticContact CD1-CE3 3.79Å; Y310-W322 HydrophobicContact CD1-CE3 3.79Å; Y310-W322 AromaticContact CD1-CH2 3.68Å; Y310-W322 HydrophobicContact CD1-CH2 3.68Å; Y310-W322 HydrophobicContact CD1-CZ2 4.09Å; Y310-W322 AromaticContact CD1-CZ3 3.54Å; Y310-W322 HydrophobicContact CD1-CZ3 3.54Å; Y310-W322 HydrophobicContact CE1-CD2 4.04Å; Y310-W322 AromaticContact CE1-CE2 3.85Å; Y310-W322 HydrophobicContact CE1-CE3 4.15Å; Y310-W322 AromaticContact CE1-CH2 3.86Å; Y310-W322 HydrophobicContact CE1-CH2 3.86Å; Y310-W322 AromaticContact CE1-CZ2 3.77Å; Y310-W322 HydrophobicContact CE1-CZ2 3.77Å; Y310-W322 HydrophobicContact CE1-CZ3 4.07Å; L314-W322 HydrophobicContact CD1-CE3 3.95Å; L314-W322 HydrophobicContact CD1-CZ3 4.39Å; W322-F324 VanDerWaalsContact C-N 3.33Å; W322-C325 PolarHBondContact O-N 3.45Å; W322-T326 WeakPolarHBondContact O-CB 3.36Å; W322-T326 PolarHBondContact O-N 2.92Å; W322-T326 PolarHBondContact O-OG1 3.33Å; W322-M398 HydrophobicContact CH2-CE 4.09Å; W322-M398 HydrophobicContact CH2-CG 3.74Å; W322-M398 HydrophobicContact CZ2-CB 4.42Å; W322-M398 HydrophobicContact CZ2-CG 3.9Å; W322-K399 WeakPolarHBondContact CH2-O 3.09Å; W322-K400 HydrophobicContact CD2-CD 4.46Å; W322-K400 HydrophobicContact CD2-CG 3.86Å; W322-K400 HydrophobicContact CE3-CG 3.8Å; W322-K400 VanDerWaalsContact CH2-CA 3.48Å; W322-K400 HydrophobicContact CH2-CB 4.3Å; W322-K400 HydrophobicContact CH2-CG 3.87Å; W322-K400 VanDerWaalsContact CH2-N 3.35Å; W322-K400 HydrophobicContact CZ2-CG 3.89Å; W322-K400 HydrophobicContact CZ3-CB 4.25Å; W322-K400 HydrophobicContact CZ3-CG 3.81Å; W322-V403 HydrophobicContact CZ3-CG1 3.99Å; W322-V403 HydrophobicContact CZ3-CG2 4.17Å; W322-L407 HydrophobicContact CE3-CD1 3.66Å; W322-L407 HydrophobicContact CZ3-CD1 3.91Å
323K97.2Very high97.7Very high143 Ų14330.2 Ų30.262%0.62214%0.138SC*.Hα-helixtrans-64.7-41.9177.3-69.5177.9-178.6168.50110.2W205 S321 T326 L327W205-K323 HydrophobicContact CH2-CB 4.14Å; S321-K323 VanDerWaalsContact C-N 3.27Å; S321-K323 PolarHBondContact O-N 3.31Å; S321-K323 PolarHBondContact OG-N 2.86Å; K323-T326 PolarHBondContact O-N 3.23Å; K323-L327 PolarHBondContact O-N 2.91Å
324F97.9Very high97.6Very high0 Ų031.8 Ų31.80%015%0.149CC..Hα-helixtrans-63.5-47.4176.7-160.1-104.2000111.4W205 M208 T209 Y269 R272 V273 V319 S321 W322 T326 L327 I328W205-F324 AromaticContact CE3-CD2 3.87Å; W205-F324 HydrophobicContact CE3-CD2 3.87Å; W205-F324 HydrophobicContact CZ3-CB 4.31Å; W205-F324 HydrophobicContact CZ3-CD2 4.13Å; M208-F324 HydrophobicContact CB-CE2 3.91Å; M208-F324 HydrophobicContact CB-CZ 4.28Å; T209-F324 HydrophobicContact CG2-CD2 3.89Å; T209-F324 HydrophobicContact CG2-CE2 4.14Å; Y269-F324 AromaticContact CD2-CD1 3.79Å; Y269-F324 HydrophobicContact CD2-CD1 3.79Å; Y269-F324 AromaticContact CD2-CE1 3.63Å; Y269-F324 HydrophobicContact CD2-CE1 3.63Å; Y269-F324 AromaticContact CE2-CD1 3.52Å; Y269-F324 HydrophobicContact CE2-CD1 3.52Å; Y269-F324 AromaticContact CE2-CE1 3.53Å; Y269-F324 HydrophobicContact CE2-CE1 3.53Å; Y269-F324 HydrophobicContact CG-CE1 4.22Å; R272-F324 HydrophobicContact CB-CE1 4.41Å; R272-F324 HydrophobicContact CB-CE2 4.22Å; R272-F324 HydrophobicContact CB-CZ 3.56Å; V273-F324 HydrophobicContact CG2-CE1 4.01Å; V273-F324 HydrophobicContact CG2-CZ 4.01Å; V319-F324 HydrophobicContact CB-CD1 4.43Å; V319-F324 HydrophobicContact CG1-CB 4.06Å; V319-F324 HydrophobicContact CG1-CD1 3.99Å; V319-F324 HydrophobicContact CG1-CD2 4.17Å; V319-F324 HydrophobicContact CG1-CE1 4.45Å; V319-F324 HydrophobicContact CG1-CG 3.82Å; S321-F324 WeakPolarHBondContact O-CB 3.21Å; S321-F324 PolarHBondContact O-N 3.46Å; S321-F324 VanDerWaalsContact O-N 3.15Å; S321-F324 PolarHBondContact OG-N 3.43Å; W322-F324 VanDerWaalsContact C-N 3.33Å; F324-T326 PolarHBondContact O-N 2.88Å; F324-L327 WeakPolarHBondContact O-CB 3.25Å; F324-L327 PolarHBondContact O-N 3.37Å; F324-I328 HydrophobicContact CD1-CG1 4.26Å; F324-I328 HydrophobicContact CE1-CD1 4.14Å; F324-I328 HydrophobicContact CE1-CG1 4.29Å; F324-I328 HydrophobicContact CZ-CD1 4.46Å; F324-I328 WeakPolarHBondContact O-CG1 3.41Å; F324-I328 PolarHBondContact O-N 2.99Å
325C98.5Very high97.5Very high0 Ų031.8 Ų31.80%015%0.149CC..Hα-helixtrans-55.8-39.9174.4-60.90000112.5F309 Y310 A313 S321 W322 I328 K329F309-C325 HydrophobicContact CE1-CB 4.28Å; Y310-C325 HydrophobicContact CD1-CB 3.59Å; Y310-C325 HydrophobicContact CD2-CB 4.15Å; Y310-C325 HydrophobicContact CE1-CB 3.5Å; Y310-C325 HydrophobicContact CE2-CB 4.07Å; Y310-C325 HydrophobicContact CG-CB 3.94Å; A313-C325 VanDerWaalsContact CB-SG 3.53Å; S321-C325 PolarHBondContact O-N 3.41Å; S321-C325 PolarHBondContact O-SG 2.78Å; W322-C325 PolarHBondContact O-N 3.45Å; C325-I328 PolarHBondContact O-N 2.65Å; C325-K329 PolarHBondContact O-N 3.49Å
326T98.2Very high97.5Very high61 Ų6131.7 Ų31.737%0.37415%0.149SC..Hα-helixtrans-67.2-35.5178-55.80000112.7Y310 W322 K323 F324 R330Y310-T326 WeakPolarHBondContact OH-CA 3.45Å; Y310-T326 PolarHBondContact OH-N 2.71Å; Y310-T326 PolarHBondContact OH-OG1 3.09Å; W322-T326 WeakPolarHBondContact O-CB 3.36Å; W322-T326 PolarHBondContact O-N 2.92Å; W322-T326 PolarHBondContact O-OG1 3.33Å; K323-T326 PolarHBondContact O-N 3.23Å; F324-T326 PolarHBondContact O-N 2.88Å; T326-R330 PolarHBondContact O-N 3.47Å
327L97.6Very high97.4Very high23 Ų2334 Ų3412%0.1216%0.16CC..Hα-helixtrans-64.2-50.3171.9175.859.3000111T209 K323 F324 K329 R330 D331T209-L327 HydrophobicContact CG2-CD2 3.76Å; K323-L327 PolarHBondContact O-N 2.91Å; F324-L327 WeakPolarHBondContact O-CB 3.25Å; F324-L327 PolarHBondContact O-N 3.37Å; L327-K329 VanDerWaalsContact C-N 3.27Å; L327-K329 PolarHBondContact O-N 3.23Å; L327-R330 WeakPolarHBondContact O-CA 3.38Å; L327-R330 WeakPolarHBondContact O-CB 3.47Å; L327-R330 PolarHBondContact O-N 3.09Å; L327-D331 PolarHBondContact O-N 3.48Å; L327-D331 VanDerWaalsContact O-OD2 3.14Å
328I98.4Very high97.2Very high0 Ų034.8 Ų34.80%016%0.163CC..Hα-helixtrans-57.1-42178-57.5-50.5000111.7F265 I268 Y269 R272 F309 F324 C325 R330 D331 A332F265-I328 HydrophobicContact CD1-CG2 4.19Å; I268-I328 HydrophobicContact CB-CG2 3.99Å; I268-I328 HydrophobicContact CG2-CD1 4Å; I268-I328 HydrophobicContact CG2-CG2 3.96Å; Y269-I328 HydrophobicContact CD2-CG1 4.27Å; R272-I328 HydrophobicContact CB-CD1 4.21Å; R272-I328 HydrophobicContact CG-CD1 3.86Å; F309-I328 HydrophobicContact CE1-CB 3.99Å; F309-I328 HydrophobicContact CE1-CG2 3.92Å; F309-I328 HydrophobicContact CE2-CG2 4.33Å; F309-I328 HydrophobicContact CZ-CB 3.78Å; F309-I328 HydrophobicContact CZ-CG1 4.16Å; F309-I328 HydrophobicContact CZ-CG2 3.51Å; F324-I328 HydrophobicContact CD1-CG1 4.26Å; F324-I328 HydrophobicContact CE1-CD1 4.14Å; F324-I328 HydrophobicContact CE1-CG1 4.29Å; F324-I328 HydrophobicContact CZ-CD1 4.46Å; F324-I328 WeakPolarHBondContact O-CG1 3.41Å; F324-I328 PolarHBondContact O-N 2.99Å; C325-I328 PolarHBondContact O-N 2.65Å; I328-R330 VanDerWaalsContact C-N 3.34Å; I328-R330 PolarHBondContact O-N 3.26Å; I328-D331 PolarHBondContact O-N 2.89Å; I328-A332 PolarHBondContact O-N 3.02Å
329K98.5Very high97.2Very high24 Ų2432.9 Ų32.910%0.10416%0.157CC..Hα-helixtrans-56-47.5173.7175.1172.7178.4-80.60112.1V306 Y310 C325 L327 D331 A332 T333 L393 F396V306-K329 HydrophobicContact CG1-CD 4.28Å; Y310-K329 HydrophobicContact CE2-CB 4.36Å; Y310-K329 HydrophobicContact CE2-CD 4.35Å; C325-K329 PolarHBondContact O-N 3.49Å; L327-K329 VanDerWaalsContact C-N 3.27Å; L327-K329 PolarHBondContact O-N 3.23Å; K329-D331 VanDerWaalsContact C-N 3.32Å; K329-D331 PolarHBondContact O-N 2.98Å; K329-A332 PolarHBondContact O-N 3.19Å; K329-T333 PolarHBondContact O-N 2.79Å; K329-T333 PolarHBondContact O-OG1 3.49Å; K329-L393 HydrophobicContact CD-CD1 4.25Å; K329-L393 WeakPolarHBondContact CE-O 3.49Å; K329-L393 HydrophobicContact CG-CD1 4.01Å; K329-L393 HydrophobicContact CG-CG 4.21Å; K329-L393 PolarHBondContact NZ-O 2.99Å; K329-F396 VanDerWaalsContact CE-O 3.31Å; K329-F396 WeakPolarHBondContact CE-O 3.49Å; K329-F396 PolarHBondContact NZ-O 3.3Å
330R97.6Very high97Very high160 Ų16034 Ų3460%0.60416%0.163SC*.Hα-helixtrans-64.2-38.4179-175-171.770.3158.51.8111.8T326 L327 I328 T333 S334T326-R330 PolarHBondContact O-N 3.47Å; L327-R330 WeakPolarHBondContact O-CA 3.38Å; L327-R330 WeakPolarHBondContact O-CB 3.47Å; L327-R330 PolarHBondContact O-N 3.09Å; I328-R330 VanDerWaalsContact C-N 3.34Å; I328-R330 PolarHBondContact O-N 3.26Å; R330-T333 WeakPolarHBondContact O-CB 3.35Å; R330-T333 PolarHBondContact O-N 2.91Å; R330-S334 PolarHBondContact O-N 3.34Å
331D97.6Very high96.9Very high4 Ų432.8 Ų32.82%0.02116%0.158CC..Hα-helixtrans-67.9-41.5-179.8-63.8-28.9000112.1L213 W215 I268 R272 L327 I328 K329 S334 L335L213-D331 HydrophobicContact CD1-CB 3.4Å; L213-D331 VanDerWaalsContact CD1-CB 3.4Å; W215-D331 PolarHBondContact NE1-O 2.71Å; I268-D331 HydrophobicContact CG2-CB 3.65Å; R272-D331 IonicContact CZ-OD2 2.65Å; R272-D331 IonicContact NE-OD2 3.28Å; R272-D331 PolarHBondContact NE-OD2 3.46Å; R272-D331 IonicContact NH2-OD1 3.82Å; R272-D331 PolarHBondContact NH2-OD1 2.9Å; R272-D331 IonicContact NH2-OD2 3.31Å; R272-D331 PolarHBondContact NH2-OD2 2.83Å; L327-D331 PolarHBondContact O-N 3.48Å; L327-D331 VanDerWaalsContact O-OD2 3.14Å; I328-D331 PolarHBondContact O-N 2.89Å; K329-D331 VanDerWaalsContact C-N 3.32Å; K329-D331 PolarHBondContact O-N 2.98Å; D331-S334 WeakPolarHBondContact O-CB 3.41Å; D331-S334 PolarHBondContact O-N 3.45Å; D331-L335 PolarHBondContact O-N 3.46Å
332A98.3Very high96.9Very high0 Ų033.2 Ų33.20%016%0.16CC..Hα-helixtrans-63.3-42.1172.800000111.6L261 F265 I268 I328 K329 S334 L335 L336 L393L261-A332 HydrophobicContact CD1-CB 4.28Å; F265-A332 HydrophobicContact CD1-CB 3.73Å; F265-A332 HydrophobicContact CE1-CB 3.53Å; I268-A332 VanDerWaalsContact CD1-CA 3.49Å; I268-A332 HydrophobicContact CD1-CB 3.63Å; I328-A332 PolarHBondContact O-N 3.02Å; K329-A332 PolarHBondContact O-N 3.19Å; A332-S334 VanDerWaalsContact C-N 3.3Å; A332-S334 PolarHBondContact O-N 3.29Å; A332-L335 PolarHBondContact O-N 2.94Å; A332-L336 WeakPolarHBondContact O-CB 3.48Å; A332-L336 WeakPolarHBondContact O-CG 3.34Å; A332-L336 PolarHBondContact O-N 3.42Å; A332-L393 HydrophobicContact CB-CD2 4.13Å
333T98.1Very high96.8Very high9 Ų932 Ų326%0.05516%0.155CC..Hα-helixtrans-54.5-47.1170.6-71.80000111.2K329 R330 L335 L336 Q337 L393 E394K329-T333 PolarHBondContact O-N 2.79Å; K329-T333 PolarHBondContact O-OG1 3.49Å; R330-T333 WeakPolarHBondContact O-CB 3.35Å; R330-T333 PolarHBondContact O-N 2.91Å; T333-L335 PolarHBondContact O-N 3.39Å; T333-L336 PolarHBondContact O-N 3.13Å; T333-Q337 VanDerWaalsContact CG2-NE2 3.28Å; T333-Q337 WeakPolarHBondContact O-CB 3.48Å; T333-Q337 WeakPolarHBondContact O-CG 3.42Å; T333-Q337 PolarHBondContact O-N 3.11Å; T333-L393 WeakPolarHBondContact OG1-CD2 3.37Å; T333-L393 WeakPolarHBondContact OG1-CG 3.33Å; T333-E394 HydrophobicContact CG2-CB 3.68Å; T333-E394 HydrophobicContact CG2-CG 4.07Å
334S95.9Very high96.8Very high33 Ų3326 Ų2623%0.23113%0.129CC..Hα-helixtrans-64.9-37.8180-167.50000112.6R330 D331 A332 H338R330-S334 PolarHBondContact O-N 3.34Å; D331-S334 WeakPolarHBondContact O-CB 3.41Å; D331-S334 PolarHBondContact O-N 3.45Å; A332-S334 VanDerWaalsContact C-N 3.3Å; A332-S334 PolarHBondContact O-N 3.29Å; S334-H338 PolarHBondContact O-N 3.25Å
335L96.9Very high96.8Very high0 Ų026 Ų260%013%0.129CC..Hα-helixtrans-64.9-47.2176-173.2158.1000111.1W215 L264 I268 D331 A332 T333 Q337 H338 T341 W344 C345W215-L335 HydrophobicContact CD2-CB 4.27Å; W215-L335 HydrophobicContact CD2-CD1 3.89Å; W215-L335 HydrophobicContact CD2-CG 4.24Å; W215-L335 HydrophobicContact CE3-CD1 3.99Å; W215-L335 HydrophobicContact CG-CB 4.25Å; W215-L335 HydrophobicContact CG-CG 4.4Å; W215-L335 HydrophobicContact CH2-CD1 3.96Å; W215-L335 HydrophobicContact CZ2-CB 4.44Å; W215-L335 HydrophobicContact CZ2-CD1 3.82Å; W215-L335 HydrophobicContact CZ3-CD1 4.03Å; L264-L335 HydrophobicContact CD1-CD2 4.21Å; L264-L335 HydrophobicContact CD2-CD1 4.49Å; I268-L335 HydrophobicContact CD1-CD1 4.44Å; D331-L335 PolarHBondContact O-N 3.46Å; A332-L335 PolarHBondContact O-N 2.94Å; T333-L335 PolarHBondContact O-N 3.39Å; L335-Q337 VanDerWaalsContact C-N 3.29Å; L335-Q337 PolarHBondContact O-N 3.28Å; L335-H338 VanDerWaalsContact O-CB 3.29Å; L335-H338 WeakPolarHBondContact O-CB 3.37Å; L335-H338 PolarHBondContact O-N 3.2Å; L335-T341 WeakPolarHBondContact O-CB 3.44Å; L335-T341 PolarHBondContact O-OG1 3.41Å; L335-T341 VanDerWaalsContact O-OG1 3.11Å; L335-W344 HydrophobicContact CD1-CB 4.43Å; L335-W344 HydrophobicContact CD2-CB 4.29Å; L335-W344 HydrophobicContact CG-CB 4.07Å; L335-C345 WeakPolarHBondContact CD2-SG 3.25Å
336L98Very high96.8Very high0 Ų026 Ų260%013%0.129CC..Hα-helixtrans-66.6-29.1-178.9-74.1175.9000113.3L261 L264 A332 T333 T341 L386 H387 L389 L393L261-L336 HydrophobicContact CD1-CD1 4.07Å; L264-L336 HydrophobicContact CD1-CD2 4.13Å; A332-L336 WeakPolarHBondContact O-CB 3.48Å; A332-L336 WeakPolarHBondContact O-CG 3.34Å; A332-L336 PolarHBondContact O-N 3.42Å; T333-L336 PolarHBondContact O-N 3.13Å; L336-T341 WeakPolarHBondContact CA-OG1 3.39Å; L336-T341 PolarHBondContact O-OG1 2.95Å; L336-L386 HydrophobicContact CD2-CB 4.32Å; L336-L386 HydrophobicContact CD2-CD2 3.98Å; L336-H387 PolarHBondContact O-ND1 3.34Å; L336-L389 HydrophobicContact CD1-CB 4.49Å; L336-L389 HydrophobicContact CD1-CD2 4.08Å; L336-L389 HydrophobicContact CD1-CG 3.99Å; L336-L393 HydrophobicContact CD1-CD2 4.47Å
337Q95.7Very high96.8Very high64 Ų6424.7 Ų24.730%0.29912%0.118SC..THydrogen-bonded Turntrans-91.20.7176.4-65.3-169.15200113.7T333 L335 G390 E394T333-Q337 VanDerWaalsContact CG2-NE2 3.28Å; T333-Q337 WeakPolarHBondContact O-CB 3.48Å; T333-Q337 WeakPolarHBondContact O-CG 3.42Å; T333-Q337 PolarHBondContact O-N 3.11Å; L335-Q337 VanDerWaalsContact C-N 3.29Å; L335-Q337 PolarHBondContact O-N 3.28Å; Q337-G390 PolarHBondContact NE2-O 3.19Å; Q337-E394 PolarHBondContact NE2-OE2 3.27Å
338H94.3Very high96.8Very high20 Ų2023.6 Ų23.69%0.09311%0.113CC..SBendtrans-71.4143179-169.4-84.7000111.3S223 S334 L335 N340 T341 W344 H387S223-H338 PolarHBondContact O-CE1 3.48Å; S223-H338 VanDerWaalsContact O-CE1 3.28Å; S334-H338 PolarHBondContact O-N 3.25Å; L335-H338 VanDerWaalsContact O-CB 3.29Å; L335-H338 WeakPolarHBondContact O-CB 3.37Å; L335-H338 PolarHBondContact O-N 3.2Å; H338-N340 VanDerWaalsContact C-N 3.26Å; H338-N340 PolarHBondContact ND1-N 3.34Å; H338-N340 PolarHBondContact O-N 2.98Å; H338-T341 WeakPolarHBondContact O-CB 3.34Å; H338-T341 PolarHBondContact O-N 3.41Å; H338-W344 AromaticContact CE1-CD1 3.83Å; H338-W344 AromaticContact CE1-NE1 3.38Å; H338-W344 PolarHBondContact CE1-NE1 2.96Å; H338-W344 AromaticContact CG-CD1 3.8Å; H338-W344 AromaticContact CG-NE1 3.96Å; H338-W344 AromaticContact ND1-CD1 3.37Å; H338-W344 AromaticContact ND1-NE1 3.44Å; H338-W344 PolarHBondContact ND1-NE1 3.39Å; H338-W344 AromaticContact NE2-NE1 3.83Å; H338-H387 PolarHBondContact O-CE1 3.33Å
339T92.3Very high96.8Very high80 Ų8023.6 Ų23.649%0.49111%0.113SC..THydrogen-bonded Turntrans-55.7-39.4-179.2-55.40000113T341T339-T341 PolarHBondContact O-N 3.31Å
340N92.8Very high96.8Very high28 Ų2822.8 Ų22.815%0.1511%0.109CC..THydrogen-bonded Turntrans-9439.8174-56.9-38000113N222 S223 S224 H338 K342 Q343 W344N222-N340 PolarHBondContact O-ND2 3.49Å; S223-N340 VanDerWaalsContact C-ND2 3.25Å; S223-N340 PolarHBondContact O-ND2 2.85Å; S224-N340 PolarHBondContact N-ND2 3.29Å; H338-N340 VanDerWaalsContact C-N 3.26Å; H338-N340 PolarHBondContact ND1-N 3.34Å; H338-N340 PolarHBondContact O-N 2.98Å; N340-K342 VanDerWaalsContact C-N 3.3Å; N340-K342 PolarHBondContact O-N 3.26Å; N340-Q343 VanDerWaalsContact C-OE1 3.23Å; N340-Q343 HydrophobicContact CB-CB 4.32Å; N340-Q343 PolarHBondContact O-N 3.05Å; N340-Q343 PolarHBondContact O-OE1 2.97Å; N340-W344 VanDerWaalsContact O-CD1 3.32Å; N340-W344 PolarHBondContact O-N 3.22Å; N340-W344 VanDerWaalsContact O-N 3.08Å
341T95.7Very high96.8Very high0 Ų017.4 Ų17.40%09%0.091CC..Hα-helixtrans-58.3-38-172.3-175.80000113.2L335 L336 H338 T339 Q343 W344 C345 E383 L386L335-T341 WeakPolarHBondContact O-CB 3.44Å; L335-T341 PolarHBondContact O-OG1 3.41Å; L335-T341 VanDerWaalsContact O-OG1 3.11Å; L336-T341 WeakPolarHBondContact CA-OG1 3.39Å; L336-T341 PolarHBondContact O-OG1 2.95Å; H338-T341 WeakPolarHBondContact O-CB 3.34Å; H338-T341 PolarHBondContact O-N 3.41Å; T339-T341 PolarHBondContact O-N 3.31Å; T341-Q343 VanDerWaalsContact C-N 3.35Å; T341-Q343 PolarHBondContact O-N 3.4Å; T341-W344 PolarHBondContact O-N 3.47Å; T341-C345 WeakPolarHBondContact O-CB 3.31Å; T341-C345 PolarHBondContact O-N 3.37Å; T341-C345 PolarHBondContact O-SG 3.03Å; T341-E383 HydrophobicContact CG2-CG 3.83Å; T341-L386 HydrophobicContact CG2-CB 3.88Å; T341-L386 HydrophobicContact CG2-CD1 3.81Å
342K97.2Very high96.8Very high13 Ų1317.2 Ų17.26%0.0579%0.09CC..Hα-helixtrans-62.6-42.8179.1-66.7-175.565.9170.70111.7L89 N340 L346 I377 Q378 A381 E383 L386L89-K342 HydrophobicContact CD1-CB 4.44Å; L89-K342 HydrophobicContact CD1-CD 4.28Å; L89-K342 HydrophobicContact CD2-CB 4.49Å; N340-K342 VanDerWaalsContact C-N 3.3Å; N340-K342 PolarHBondContact O-N 3.26Å; K342-L346 VanDerWaalsContact O-CB 3.28Å; K342-L346 WeakPolarHBondContact O-CB 3.39Å; K342-L346 PolarHBondContact O-N 3.01Å; K342-I377 WeakPolarHBondContact CE-O 3.45Å; K342-I377 PolarHBondContact NZ-O 3.28Å; K342-Q378 PolarHBondContact NZ-O 2.92Å; K342-Q378 VanDerWaalsContact NZ-O 3.11Å; K342-A381 PolarHBondContact NZ-O 3.46Å; K342-A381 VanDerWaalsContact NZ-O 3.1Å; K342-E383 HydrophobicContact CD-CB 4.35Å; K342-L386 HydrophobicContact CG-CD1 3.73Å
343Q96.2Very high96.8Very high9 Ų918.3 Ų18.34%0.0429%0.094CC..Hα-helixtrans-67.5-45-179.9-63.878-9.300110.4D86 D88 L89 P225 N340 T341 L346 K347D86-Q343 PolarHBondContact OD1-NE2 3.48Å; D88-Q343 HydrophobicContact CB-CG 4.34Å; L89-Q343 HydrophobicContact CD2-CG 4.13Å; P225-Q343 HydrophobicContact CG-CB 3.71Å; P225-Q343 WeakPolarHBondContact CG-O 3.28Å; N340-Q343 VanDerWaalsContact C-OE1 3.23Å; N340-Q343 HydrophobicContact CB-CB 4.32Å; N340-Q343 PolarHBondContact O-N 3.05Å; N340-Q343 PolarHBondContact O-OE1 2.97Å; T341-Q343 VanDerWaalsContact C-N 3.35Å; T341-Q343 PolarHBondContact O-N 3.4Å; Q343-L346 WeakPolarHBondContact O-CB 3.2Å; Q343-L346 PolarHBondContact O-N 3.31Å; Q343-K347 PolarHBondContact O-N 3.29Å
344W96.9Very high96.7Very high18 Ų1824 Ų247%0.06812%0.12CC..Hα-helixtrans-64.5-42.3176-75.7115.7000112.4P214 W215 S223 P225 L335 H338 N340 T341 L346 K347 C348P214-W344 HydrophobicContact CB-CH2 3.47Å; P214-W344 VanDerWaalsContact CB-CH2 3.47Å; P214-W344 HydrophobicContact CB-CZ3 3.46Å; P214-W344 VanDerWaalsContact CB-CZ3 3.46Å; W215-W344 HydrophobicContact CB-CD2 3.75Å; W215-W344 HydrophobicContact CB-CE3 4.25Å; W215-W344 HydrophobicContact CB-CG 4.01Å; W215-W344 HydrophobicContact CB-CZ2 4.14Å; W215-W344 AromaticContact CE3-CE3 4Å; W215-W344 HydrophobicContact CE3-CE3 4Å; W215-W344 HydrophobicContact CE3-CZ3 4.37Å; S223-W344 PolarHBondContact O-NE1 3.37Å; P225-W344 HydrophobicContact CB-CD2 4.14Å; P225-W344 HydrophobicContact CB-CE3 3.7Å; P225-W344 HydrophobicContact CB-CH2 3.98Å; P225-W344 HydrophobicContact CB-CZ2 4.4Å; P225-W344 HydrophobicContact CB-CZ3 3.61Å; P225-W344 HydrophobicContact CG-CD2 4.06Å; P225-W344 HydrophobicContact CG-CE3 4.05Å; P225-W344 HydrophobicContact CG-CG 4.45Å; P225-W344 HydrophobicContact CG-CZ3 4.41Å; L335-W344 HydrophobicContact CD1-CB 4.43Å; L335-W344 HydrophobicContact CD2-CB 4.29Å; L335-W344 HydrophobicContact CG-CB 4.07Å; H338-W344 AromaticContact CE1-CD1 3.83Å; H338-W344 AromaticContact CE1-NE1 3.38Å; H338-W344 PolarHBondContact CE1-NE1 2.96Å; H338-W344 AromaticContact CG-CD1 3.8Å; H338-W344 AromaticContact CG-NE1 3.96Å; H338-W344 AromaticContact ND1-CD1 3.37Å; H338-W344 AromaticContact ND1-NE1 3.44Å; H338-W344 PolarHBondContact ND1-NE1 3.39Å; H338-W344 AromaticContact NE2-NE1 3.83Å; N340-W344 VanDerWaalsContact O-CD1 3.32Å; N340-W344 PolarHBondContact O-N 3.22Å; N340-W344 VanDerWaalsContact O-N 3.08Å; T341-W344 PolarHBondContact O-N 3.47Å; W344-L346 VanDerWaalsContact C-N 3.32Å; W344-L346 PolarHBondContact O-N 3.03Å; W344-K347 PolarHBondContact O-N 3.42Å; W344-C348 PolarHBondContact O-N 3.23Å; W344-C348 PolarHBondContact O-SG 3Å
345C98.4Very high96.7Very high0 Ų023.7 Ų23.70%012%0.116CC..Hα-helixtrans-59.4-43.8172.3-68.10000111.4L335 T341 K347 C348 L349 I377L335-C345 WeakPolarHBondContact CD2-SG 3.25Å; T341-C345 WeakPolarHBondContact O-CB 3.31Å; T341-C345 PolarHBondContact O-N 3.37Å; T341-C345 PolarHBondContact O-SG 3.03Å; C345-K347 PolarHBondContact O-N 3.34Å; C345-C348 PolarHBondContact O-N 3.22Å; C345-L349 VanDerWaalsContact O-CG 3.28Å; C345-L349 WeakPolarHBondContact O-CG 3.18Å; C345-L349 PolarHBondContact O-N 3.37Å; C345-I377 HydrophobicContact CB-CD1 3.94Å; C345-I377 HydrophobicContact CB-CG1 3.87Å
346L98.5Very high96.6Very high0 Ų023.7 Ų23.70%012%0.116CC..Hα-helixtrans-59.9-44.7176.9179.362000111.7L89 F227 L235 K342 Q343 W344 L349 L350 I374 I377 Q378L89-L346 HydrophobicContact CD2-CD2 4Å; F227-L346 HydrophobicContact CE1-CD2 4.09Å; F227-L346 HydrophobicContact CE1-CG 4.04Å; F227-L346 HydrophobicContact CZ-CB 4.42Å; F227-L346 HydrophobicContact CZ-CD2 3.9Å; F227-L346 HydrophobicContact CZ-CG 4.18Å; L235-L346 HydrophobicContact CD1-CD2 4.17Å; L235-L346 HydrophobicContact CD2-CD1 3.85Å; L235-L346 HydrophobicContact CD2-CD2 4.27Å; L235-L346 HydrophobicContact CD2-CG 4.42Å; K342-L346 VanDerWaalsContact O-CB 3.28Å; K342-L346 WeakPolarHBondContact O-CB 3.39Å; K342-L346 PolarHBondContact O-N 3.01Å; Q343-L346 WeakPolarHBondContact O-CB 3.2Å; Q343-L346 PolarHBondContact O-N 3.31Å; W344-L346 VanDerWaalsContact C-N 3.32Å; W344-L346 PolarHBondContact O-N 3.03Å; L346-L349 PolarHBondContact O-N 3.45Å; L346-L350 HydrophobicContact CD1-CD1 4.38Å; L346-L350 HydrophobicContact CD1-CG 4.47Å; L346-L350 HydrophobicContact CG-CD1 4.14Å; L346-L350 WeakPolarHBondContact O-CG 3.44Å; L346-L350 PolarHBondContact O-N 2.97Å; L346-I374 HydrophobicContact CD1-CB 4.42Å; L346-I374 HydrophobicContact CD1-CG2 3.84Å; L346-I377 HydrophobicContact CB-CG2 4.08Å; L346-I377 HydrophobicContact CD1-CG2 3.77Å; L346-Q378 HydrophobicContact CD1-CG 3.98Å; L346-Q378 HydrophobicContact CD2-CG 3.78Å; L346-Q378 HydrophobicContact CG-CG 4.48Å
347K97.8Very high96.4Very high33 Ų3327.5 Ų27.514%0.14314%0.135CC..Hα-helixtrans-59.3-49.7176.2-176.866.5-176.1-173.10111.3P225 E226 F227 E231 Q343 W344 C345 L349 L350 E351P225-K347 HydrophobicContact CB-CB 3.83Å; P225-K347 HydrophobicContact CB-CD 4.29Å; P225-K347 HydrophobicContact CB-CG 3.92Å; P225-K347 HydrophobicContact CG-CB 4.03Å; E226-K347 PolarHBondContact O-NZ 2.97Å; F227-K347 HydrophobicContact CD1-CD 4.24Å; F227-K347 HydrophobicContact CE1-CB 4.12Å; F227-K347 HydrophobicContact CE1-CD 4.16Å; F227-K347 HydrophobicContact CZ-CB 4.48Å; E231-K347 WeakPolarHBondContact OE1-CD 3.32Å; E231-K347 WeakPolarHBondContact OE1-CE 3.44Å; E231-K347 IonicContact OE1-NZ 2.96Å; E231-K347 PolarHBondContact OE1-NZ 3.08Å; E231-K347 IonicContact OE2-NZ 3.39Å; E231-K347 PolarHBondContact OE2-NZ 3.48Å; Q343-K347 PolarHBondContact O-N 3.29Å; W344-K347 PolarHBondContact O-N 3.42Å; C345-K347 PolarHBondContact O-N 3.34Å; K347-L349 VanDerWaalsContact C-N 3.31Å; K347-L349 PolarHBondContact O-N 3.48Å; K347-L350 PolarHBondContact O-N 3.49Å; K347-E351 WeakPolarHBondContact CE-OE1 3.46Å; K347-E351 PolarHBondContact O-N 2.94Å
348C98.2Very high96.2Very high1 Ų128.2 Ų28.21%0.00715%0.152CC..Hα-helixtrans-56.4-45.1175.5-62.70000111.9L264 Y267 W344 C345 L350 E351 I352L264-C348 HydrophobicContact CD2-CB 3.7Å; Y267-C348 HydrophobicContact CD1-CB 3.8Å; Y267-C348 VanDerWaalsContact CD1-SG 3.5Å; Y267-C348 HydrophobicContact CE1-CB 3.95Å; Y267-C348 WeakPolarHBondContact CE1-SG 2.98Å; Y267-C348 HydrophobicContact CG-CB 4.12Å; W344-C348 PolarHBondContact O-N 3.23Å; W344-C348 PolarHBondContact O-SG 3Å; C345-C348 PolarHBondContact O-N 3.22Å; C348-L350 PolarHBondContact O-N 3.37Å; C348-E351 PolarHBondContact O-N 2.99Å; C348-I352 WeakPolarHBondContact O-CB 3.24Å; C348-I352 WeakPolarHBondContact O-CD1 3.41Å; C348-I352 WeakPolarHBondContact O-CG1 3.44Å; C348-I352 PolarHBondContact O-N 2.66Å
349L98.8Very high96Very high0 Ų029.3 Ų29.30%016%0.155CC..Hα-helixtrans-64.4-37.7179.9-71.5166.6000113L260 L263 C345 L346 K347 R353 L370 I374 I377L260-L349 HydrophobicContact CD1-CD1 3.93Å; L260-L349 HydrophobicContact CD1-CD2 4.09Å; L260-L349 HydrophobicContact CD1-CG 4.22Å; L263-L349 HydrophobicContact CD1-CD2 3.99Å; C345-L349 VanDerWaalsContact O-CG 3.28Å; C345-L349 WeakPolarHBondContact O-CG 3.18Å; C345-L349 PolarHBondContact O-N 3.37Å; L346-L349 PolarHBondContact O-N 3.45Å; K347-L349 VanDerWaalsContact C-N 3.31Å; K347-L349 PolarHBondContact O-N 3.48Å; L349-R353 VanDerWaalsContact O-CB 3.29Å; L349-R353 WeakPolarHBondContact O-CB 3.46Å; L349-R353 PolarHBondContact O-N 3.19Å; L349-L370 HydrophobicContact CD2-CD2 4.17Å; L349-I374 HydrophobicContact CB-CG1 3.78Å; L349-I377 HydrophobicContact CD1-CB 4.29Å; L349-I377 HydrophobicContact CD1-CG2 3.95Å
350L98.3Very high95.6Very high7 Ų731.3 Ų31.34%0.03717%0.17CC..Hα-helixtrans-66.9-43.5175.9-73.9166.1000111.8F227 E231 R234 L235 L346 K347 C348 R353 E354 I374F227-L350 HydrophobicContact CD1-CD1 3.72Å; F227-L350 HydrophobicContact CE1-CD1 3.71Å; E231-L350 HydrophobicContact CB-CD1 4.06Å; E231-L350 HydrophobicContact CG-CB 4.29Å; E231-L350 HydrophobicContact CG-CD1 4.11Å; R234-L350 HydrophobicContact CG-CD2 4.33Å; L235-L350 HydrophobicContact CD1-CD1 4.29Å; L235-L350 HydrophobicContact CD2-CD1 4.16Å; L235-L350 HydrophobicContact CD2-CD2 4.09Å; L235-L350 HydrophobicContact CG-CD1 4.33Å; L235-L350 HydrophobicContact CG-CD2 4.49Å; L346-L350 HydrophobicContact CD1-CD1 4.38Å; L346-L350 HydrophobicContact CD1-CG 4.47Å; L346-L350 HydrophobicContact CG-CD1 4.14Å; L346-L350 WeakPolarHBondContact O-CG 3.44Å; L346-L350 PolarHBondContact O-N 2.97Å; K347-L350 PolarHBondContact O-N 3.49Å; C348-L350 PolarHBondContact O-N 3.37Å; L350-R353 WeakPolarHBondContact O-CB 3.47Å; L350-R353 PolarHBondContact O-N 2.93Å; L350-E354 PolarHBondContact O-N 2.99Å; L350-I374 HydrophobicContact CD2-CD1 4Å
351E97.3Very high95.3Very high46 Ų4630.5 Ų30.522%0.21517%0.169CC..Hα-helixtrans-67-43.2176.7-71.6-172.6-14600112Y267 K347 C348 R353 E354 I355Y267-E351 HydrophobicContact CE2-CB 3.8Å; Y267-E351 WeakPolarHBondContact CE2-OE2 3.37Å; Y267-E351 VanDerWaalsContact OH-CD 3.31Å; Y267-E351 PolarHBondContact OH-OE1 2.75Å; Y267-E351 PolarHBondContact OH-OE2 3.04Å; K347-E351 WeakPolarHBondContact CE-OE1 3.46Å; K347-E351 PolarHBondContact O-N 2.94Å; C348-E351 PolarHBondContact O-N 2.99Å; E351-R353 PolarHBondContact O-N 2.75Å; E351-E354 PolarHBondContact O-N 3.21Å; E351-I355 WeakPolarHBondContact O-CB 3.31Å; E351-I355 VanDerWaalsContact O-CG1 3.27Å; E351-I355 WeakPolarHBondContact O-CG1 3.49Å; E351-I355 PolarHBondContact O-N 3.17Å
352I98Very high95.2Very high0 Ų031.8 Ų31.80%017%0.173CC..Hα-helixtrans-55.3-46.2172.3-66.5163.1000109.4L263 Y267 I286 C348 E354 I355 L356 L370L263-I352 HydrophobicContact CB-CD1 4.22Å; Y267-I352 HydrophobicContact CD2-CD1 4.45Å; Y267-I352 HydrophobicContact CD2-CG1 3.74Å; Y267-I352 HydrophobicContact CG-CD1 4.35Å; Y267-I352 HydrophobicContact CG-CG1 4.11Å; I286-I352 HydrophobicContact CD1-CG1 4.25Å; I286-I352 HydrophobicContact CD1-CG2 4.39Å; I286-I352 HydrophobicContact CG2-CG2 3.82Å; C348-I352 WeakPolarHBondContact O-CB 3.24Å; C348-I352 WeakPolarHBondContact O-CD1 3.41Å; C348-I352 WeakPolarHBondContact O-CG1 3.44Å; C348-I352 PolarHBondContact O-N 2.66Å; I352-E354 PolarHBondContact O-N 3.26Å; I352-I355 PolarHBondContact O-N 3.04Å; I352-L356 HydrophobicContact CG2-CD1 3.81Å; I352-L356 HydrophobicContact CG2-CG 4.1Å; I352-L356 WeakPolarHBondContact O-CB 3.26Å; I352-L356 VanDerWaalsContact O-CG 3.26Å; I352-L356 WeakPolarHBondContact O-CG 3.11Å; I352-L356 PolarHBondContact O-N 3.16Å; I352-L370 HydrophobicContact CB-CD2 4.25Å; I352-L370 HydrophobicContact CG2-CD1 4.15Å; I352-L370 HydrophobicContact CG2-CD2 3.75Å
353R97.6Very high94.9Very high24 Ų2435.7 Ų35.79%0.09119%0.192CC..Hα-helixtrans-60.7-46.1179.2179.6-177.4-177.2-64.5-12.8112.4L349 L350 E351 L356 I357 T366 L370 N371 I374L349-R353 VanDerWaalsContact O-CB 3.29Å; L349-R353 WeakPolarHBondContact O-CB 3.46Å; L349-R353 PolarHBondContact O-N 3.19Å; L350-R353 WeakPolarHBondContact O-CB 3.47Å; L350-R353 PolarHBondContact O-N 2.93Å; E351-R353 PolarHBondContact O-N 2.75Å; R353-L356 PolarHBondContact O-N 3Å; R353-I357 HydrophobicContact CG-CD1 3.97Å; R353-I357 VanDerWaalsContact CZ-CD1 3.45Å; R353-I357 VanDerWaalsContact O-CG1 3.32Å; R353-I357 WeakPolarHBondContact O-CG1 3.32Å; R353-I357 PolarHBondContact O-N 3.04Å; R353-T366 HydrophobicContact CG-CG2 3.61Å; R353-T366 VanDerWaalsContact NE-CG2 3.27Å; R353-L370 HydrophobicContact CB-CB 4.35Å; R353-L370 HydrophobicContact CB-CD1 3.79Å; R353-L370 HydrophobicContact CG-CD1 4.24Å; R353-N371 PolarHBondContact NE-OD1 2.8Å; R353-I374 HydrophobicContact CB-CD1 4.36Å
354E96Very high94.7Very high128 Ų12835.6 Ų35.660%0.59819%0.192SC*.Hα-helixtrans-58.8-49.8176.8-176.1179.4173.900111.2L350 E351 I352 L356 I357 A358L350-E354 PolarHBondContact O-N 2.99Å; E351-E354 PolarHBondContact O-N 3.21Å; I352-E354 PolarHBondContact O-N 3.26Å; E354-L356 PolarHBondContact O-N 2.63Å; E354-I357 PolarHBondContact O-N 3.1Å; E354-A358 PolarHBondContact O-N 3.13Å
355I96Very high94.7Very high27 Ų2734.8 Ų34.814%0.13819%0.189CC..Hα-helixtrans-55.6-50.6176.8-69.3164.1000110.2S282 I286 E351 I352 I357 A358 Y359S282-I355 VanDerWaalsContact CB-CG2 3.47Å; I286-I355 HydrophobicContact CD1-CB 4.34Å; I286-I355 HydrophobicContact CD1-CD1 3.83Å; I286-I355 HydrophobicContact CD1-CG2 3.99Å; E351-I355 WeakPolarHBondContact O-CB 3.31Å; E351-I355 VanDerWaalsContact O-CG1 3.27Å; E351-I355 WeakPolarHBondContact O-CG1 3.49Å; E351-I355 PolarHBondContact O-N 3.17Å; I352-I355 PolarHBondContact O-N 3.04Å; I355-I357 VanDerWaalsContact C-N 3.33Å; I355-I357 PolarHBondContact O-N 2.79Å; I355-A358 PolarHBondContact O-N 3.1Å; I355-Y359 HydrophobicContact CG2-CD2 4.42Å; I355-Y359 HydrophobicContact CG2-CE2 4.09Å; I355-Y359 WeakPolarHBondContact O-CD2 3.43Å
356L95.7Very high94.5Very high0 Ų034.9 Ų34.90%019%0.189CC..Hα-helixtrans-69.6-26.5-175.6-65.2-173.4000113.8I286 V287 L293 I352 R353 E354 A358 Y359 Y362 H363 F365 L370I286-L356 HydrophobicContact CG2-CD2 4.46Å; V287-L356 HydrophobicContact CG2-CD1 4.44Å; V287-L356 HydrophobicContact CG2-CD2 3.6Å; L293-L356 HydrophobicContact CD1-CD1 3.82Å; I352-L356 HydrophobicContact CG2-CD1 3.81Å; I352-L356 HydrophobicContact CG2-CG 4.1Å; I352-L356 WeakPolarHBondContact O-CB 3.26Å; I352-L356 VanDerWaalsContact O-CG 3.26Å; I352-L356 WeakPolarHBondContact O-CG 3.11Å; I352-L356 PolarHBondContact O-N 3.16Å; R353-L356 PolarHBondContact O-N 3Å; E354-L356 PolarHBondContact O-N 2.63Å; L356-A358 VanDerWaalsContact C-N 3.34Å; L356-Y359 PolarHBondContact O-N 2.85Å; L356-Y362 HydrophobicContact CD2-CD2 3.68Å; L356-Y362 HydrophobicContact CD2-CG 4.35Å; L356-Y362 CarbonylContact O-C 3.52Å; L356-Y362 WeakPolarHBondContact O-CB 3.26Å; L356-H363 PolarHBondContact O-N 2.84Å; L356-F365 HydrophobicContact CD1-CB 3.98Å; L356-F365 HydrophobicContact CD1-CD2 4.4Å; L356-L370 HydrophobicContact CD1-CD1 3.84Å
357I93.6Very high94.2Very high80 Ų8039.4 Ų39.441%0.4121%0.211SC..Hα-helixtrans-70.2-34.6173.8-73.7169.4000111.4R353 E354 I355 Y359 T366R353-I357 HydrophobicContact CG-CD1 3.97Å; R353-I357 VanDerWaalsContact CZ-CD1 3.45Å; R353-I357 VanDerWaalsContact O-CG1 3.32Å; R353-I357 WeakPolarHBondContact O-CG1 3.32Å; R353-I357 PolarHBondContact O-N 3.04Å; E354-I357 PolarHBondContact O-N 3.1Å; I355-I357 VanDerWaalsContact C-N 3.33Å; I355-I357 PolarHBondContact O-N 2.79Å; I357-Y359 PolarHBondContact O-N 3.29Å; I357-T366 HydrophobicContact CD1-CG2 4.38Å
358A91.2Very high94Very high79 Ų7938.2 Ų38.265%0.65321%0.206SC*.Hα-helixtrans-69.6-15.4177.900000113.2E354 I355 L356E354-A358 PolarHBondContact O-N 3.13Å; I355-A358 PolarHBondContact O-N 3.1Å; L356-A358 VanDerWaalsContact C-N 3.34Å
359Y89.5Confident94Very high42 Ų4238.6 Ų38.617%0.16521%0.207CC..SBendtrans-96.7132.1-179.2-80.9-114.3000111.6M279 S280 E281 S282 G283 I355 L356 I357 G361 Y362M279-Y359 PolarHBondContact O-OH 3.38Å; S280-Y359 WeakPolarHBondContact CA-OH 3.25Å; S280-Y359 WeakPolarHBondContact O-CE1 3.35Å; S280-Y359 VanDerWaalsContact O-CZ 3.28Å; S280-Y359 PolarHBondContact O-OH 3.11Å; E281-Y359 VanDerWaalsContact CA-OH 3.27Å; E281-Y359 WeakPolarHBondContact CA-OH 3.4Å; E281-Y359 PolarHBondContact N-OH 3.44Å; S282-Y359 PolarHBondContact N-OH 2.88Å; G283-Y359 PolarHBondContact N-OH 3.01Å; I355-Y359 HydrophobicContact CG2-CD2 4.42Å; I355-Y359 HydrophobicContact CG2-CE2 4.09Å; I355-Y359 WeakPolarHBondContact O-CD2 3.43Å; L356-Y359 PolarHBondContact O-N 2.85Å; I357-Y359 PolarHBondContact O-N 3.29Å; Y359-G361 PolarHBondContact O-N 3.34Å; Y359-Y362 HydrophobicContact CD1-CD2 4.23Å; Y359-Y362 HydrophobicContact CD1-CE2 4.15Å; Y359-Y362 HydrophobicContact CG-CD2 4.03Å; Y359-Y362 HydrophobicContact CG-CE2 4.42Å; Y359-Y362 PolarHBondContact O-N 2.75Å
360P85.1Confident94Very high122 Ų12238.6 Ų38.679%0.79221%0.207SC*.THydrogen-bonded Turntrans-53.2130.4175.7-26.735000112.2Y362P360-Y362 PolarHBondContact O-N 2.81Å; P360-Y362 VanDerWaalsContact O-N 3.14Å
361G85.9Confident94Very high12 Ų1238.4 Ų38.412%0.12421%0.206CC..THydrogen-bonded Turntrans78.1-20.917900000116Y359 H363 V364Y359-G361 PolarHBondContact O-N 3.34Å; G361-H363 VanDerWaalsContact C-N 3.32Å; G361-H363 PolarHBondContact O-N 2.65Å; G361-V364 VanDerWaalsContact O-CG1 3.3Å; G361-V364 WeakPolarHBondContact O-CG1 3.44Å; G361-V364 PolarHBondContact O-N 3.31Å
362Y93Very high94Very high26 Ų2636.4 Ų36.410%0.10220%0.197CC..THydrogen-bonded Turntrans-79.9-10.6-171.9-74.39.3000114.5A164 G283 V287 L356 Y359 P360 V364 F365A164-Y362 HydrophobicContact CB-CD1 3.56Å; A164-Y362 HydrophobicContact CB-CE1 3.64Å; G283-Y362 VanDerWaalsContact C-CE2 3.47Å; G283-Y362 VanDerWaalsContact O-CE2 3.28Å; G283-Y362 WeakPolarHBondContact O-CE2 3.43Å; V287-Y362 HydrophobicContact CB-CD2 4.47Å; V287-Y362 HydrophobicContact CB-CE2 3.91Å; V287-Y362 HydrophobicContact CG1-CE1 4.48Å; V287-Y362 HydrophobicContact CG1-CE2 4.48Å; V287-Y362 HydrophobicContact CG2-CD2 3.59Å; V287-Y362 HydrophobicContact CG2-CE1 4.44Å; V287-Y362 HydrophobicContact CG2-CE2 3.51Å; V287-Y362 HydrophobicContact CG2-CG 4.09Å; L356-Y362 HydrophobicContact CD2-CD2 3.68Å; L356-Y362 HydrophobicContact CD2-CG 4.35Å; L356-Y362 CarbonylContact O-C 3.52Å; L356-Y362 WeakPolarHBondContact O-CB 3.26Å; Y359-Y362 HydrophobicContact CD1-CD2 4.23Å; Y359-Y362 HydrophobicContact CD1-CE2 4.15Å; Y359-Y362 HydrophobicContact CG-CD2 4.03Å; Y359-Y362 HydrophobicContact CG-CE2 4.42Å; Y359-Y362 PolarHBondContact O-N 2.75Å; P360-Y362 PolarHBondContact O-N 2.81Å; P360-Y362 VanDerWaalsContact O-N 3.14Å; Y362-V364 PolarHBondContact O-N 3.49Å; Y362-V364 VanDerWaalsContact O-N 3.07Å; Y362-F365 HydrophobicContact CD1-CD2 4.4Å; Y362-F365 AromaticContact CD1-CE2 3.87Å; Y362-F365 HydrophobicContact CD1-CE2 3.87Å; Y362-F365 HydrophobicContact CE1-CE2 4.32Å; Y362-F365 HydrophobicContact CG-CD2 4.25Å; Y362-F365 HydrophobicContact CG-CE2 4.13Å; Y362-F365 WeakPolarHBondContact O-CB 3.31Å; Y362-F365 WeakPolarHBondContact O-CD2 3.33Å; Y362-F365 PolarHBondContact O-N 3.13Å
363H91.1Very high94Very high95 Ų9536.8 Ų36.844%0.4420%0.198SC..Hα-helixtrans-54.6-25170.266.8-82.6000113.2L356 G361 F365 T366 E367L356-H363 PolarHBondContact O-N 2.84Å; G361-H363 VanDerWaalsContact C-N 3.32Å; G361-H363 PolarHBondContact O-N 2.65Å; H363-F365 VanDerWaalsContact C-N 3.27Å; H363-F365 PolarHBondContact O-N 2.96Å; H363-T366 VanDerWaalsContact O-CB 3.29Å; H363-T366 WeakPolarHBondContact O-CB 3.32Å; H363-T366 PolarHBondContact O-N 3.44Å; H363-T366 VanDerWaalsContact O-N 3.08Å; H363-E367 PolarHBondContact O-N 2.71Å
364V92.4Very high94Very high8 Ų835.6 Ų35.65%0.04819%0.194CC..Hα-helixtrans-57.4-38.9175.368.40000112.6L154 F155 L161 G361 Y362 T366 E367 L368L154-V364 HydrophobicContact CD2-CG2 3.73Å; F155-V364 HydrophobicContact CZ-CG2 4.31Å; L161-V364 HydrophobicContact CD1-CB 4.42Å; L161-V364 HydrophobicContact CD1-CG2 4.08Å; L161-V364 HydrophobicContact CD2-CB 3.99Å; L161-V364 HydrophobicContact CD2-CG1 4.46Å; G361-V364 VanDerWaalsContact O-CG1 3.3Å; G361-V364 WeakPolarHBondContact O-CG1 3.44Å; G361-V364 PolarHBondContact O-N 3.31Å; Y362-V364 PolarHBondContact O-N 3.49Å; Y362-V364 VanDerWaalsContact O-N 3.07Å; V364-T366 PolarHBondContact O-N 3.16Å; V364-E367 PolarHBondContact O-N 3.11Å; V364-L368 HydrophobicContact CG2-CD1 3.85Å; V364-L368 HydrophobicContact CG2-CG 4.17Å; V364-L368 WeakPolarHBondContact O-CB 3.31Å; V364-L368 WeakPolarHBondContact O-CG 3.34Å; V364-L368 PolarHBondContact O-N 3.27Å
365F95.8Very high94.1Very high0 Ų029.8 Ų29.80%017%0.167CC..Hα-helixtrans-67.7-28.7178.9-60.6-53.7000112.5A164 V165 V287 L293 F296 L356 Y362 H363 Y369 L370A164-F365 HydrophobicContact CB-CE2 4.08Å; A164-F365 HydrophobicContact CB-CZ 4.17Å; A164-F365 WeakPolarHBondContact O-CZ 3.46Å; V165-F365 HydrophobicContact CG2-CE1 4.09Å; V165-F365 HydrophobicContact CG2-CZ 4.08Å; V287-F365 HydrophobicContact CB-CE2 4.37Å; V287-F365 HydrophobicContact CG1-CE2 3.77Å; V287-F365 HydrophobicContact CG1-CZ 3.96Å; V287-F365 HydrophobicContact CG2-CD2 3.75Å; V287-F365 HydrophobicContact CG2-CE2 3.57Å; V287-F365 HydrophobicContact CG2-CZ 4.46Å; L293-F365 HydrophobicContact CB-CD1 3.95Å; L293-F365 HydrophobicContact CB-CE1 4.11Å; L293-F365 HydrophobicContact CB-CG 4.29Å; L293-F365 HydrophobicContact CD2-CB 3.96Å; L293-F365 HydrophobicContact CD2-CD1 4.07Å; L293-F365 HydrophobicContact CD2-CG 4.18Å; L293-F365 WeakPolarHBondContact O-CE1 3.38Å; F296-F365 HydrophobicContact CE1-CD1 4.46Å; F296-F365 HydrophobicContact CE1-CE1 4.09Å; L356-F365 HydrophobicContact CD1-CB 3.98Å; L356-F365 HydrophobicContact CD1-CD2 4.4Å; Y362-F365 HydrophobicContact CD1-CD2 4.4Å; Y362-F365 AromaticContact CD1-CE2 3.87Å; Y362-F365 HydrophobicContact CD1-CE2 3.87Å; Y362-F365 HydrophobicContact CE1-CE2 4.32Å; Y362-F365 HydrophobicContact CG-CD2 4.25Å; Y362-F365 HydrophobicContact CG-CE2 4.13Å; Y362-F365 WeakPolarHBondContact O-CB 3.31Å; Y362-F365 WeakPolarHBondContact O-CD2 3.33Å; Y362-F365 PolarHBondContact O-N 3.13Å; H363-F365 VanDerWaalsContact C-N 3.27Å; H363-F365 PolarHBondContact O-N 2.96Å; F365-Y369 PolarHBondContact O-N 2.92Å; F365-L370 PolarHBondContact O-N 2.88Å
366T94.1Very high94.2Very high2 Ų228.7 Ų28.71%0.01216%0.161CC..Iπ-helixtrans-64.7-44.1175.1-64.60000111.1R353 I357 H363 V364 L370 N371R353-T366 HydrophobicContact CG-CG2 3.61Å; R353-T366 VanDerWaalsContact NE-CG2 3.27Å; I357-T366 HydrophobicContact CD1-CG2 4.38Å; H363-T366 VanDerWaalsContact O-CB 3.29Å; H363-T366 WeakPolarHBondContact O-CB 3.32Å; H363-T366 PolarHBondContact O-N 3.44Å; H363-T366 VanDerWaalsContact O-N 3.08Å; V364-T366 PolarHBondContact O-N 3.16Å; T366-L370 PolarHBondContact O-N 3.34Å; T366-N371 VanDerWaalsContact CG2-OD1 3.26Å; T366-N371 WeakPolarHBondContact CG2-OD1 3.36Å; T366-N371 WeakPolarHBondContact O-CB 3.25Å; T366-N371 VanDerWaalsContact O-CG 3.26Å; T366-N371 PolarHBondContact O-N 3.15Å; T366-N371 PolarHBondContact O-ND2 2.78Å
367E92.3Very high94.3Very high96 Ų9628.7 Ų28.745%0.44916%0.161SC..Iπ-helixtrans-76.5-34.3179.6-69.9-51.4136.100113.6R241 H363 V364 N371R241-E367 IonicContact CZ-OE2 3.84Å; R241-E367 IonicContact NH1-OE2 3.12Å; R241-E367 PolarHBondContact NH1-OE2 3.36Å; R241-E367 PolarHBondContact NH2-O 3.44Å; R241-E367 IonicContact NH2-OE2 3.85Å; H363-E367 PolarHBondContact O-N 2.71Å; V364-E367 PolarHBondContact O-N 3.11Å; E367-N371 PolarHBondContact OE1-ND2 2.95Å; E367-N371 PolarHBondContact OE2-ND2 3.38Å
368L95Very high94.5Very high7 Ų724.9 Ų24.94%0.03714%0.142CC..Iπ-helixtrans-75.5-37.5179.2-71.4-178.8000113.1Y145 G146 F147 K151 L154 F155 F296 V364Y145-L368 HydrophobicContact CD2-CD1 4.11Å; Y145-L368 HydrophobicContact CD2-CD2 4Å; Y145-L368 HydrophobicContact CE2-CD1 4.4Å; Y145-L368 HydrophobicContact CE2-CD2 4.08Å; G146-L368 CarbonylContact C-O 3.5Å; G146-L368 WeakPolarHBondContact CA-O 3.11Å; F147-L368 PolarHBondContact N-O 2.9Å; K151-L368 HydrophobicContact CB-CD2 3.93Å; K151-L368 HydrophobicContact CG-CD2 3.78Å; L154-L368 HydrophobicContact CD2-CD1 4.3Å; L154-L368 HydrophobicContact CD2-CD2 4.05Å; L154-L368 HydrophobicContact CD2-CG 4.39Å; F155-L368 HydrophobicContact CE2-CD1 4.39Å; F155-L368 HydrophobicContact CZ-CD1 4.38Å; F296-L368 HydrophobicContact CE1-CD1 3.89Å; F296-L368 HydrophobicContact CZ-CD1 3.91Å; V364-L368 HydrophobicContact CG2-CD1 3.85Å; V364-L368 HydrophobicContact CG2-CG 4.17Å; V364-L368 WeakPolarHBondContact O-CB 3.31Å; V364-L368 WeakPolarHBondContact O-CG 3.34Å; V364-L368 PolarHBondContact O-N 3.27Å
369Y98Very high94.6Very high9 Ų923.3 Ų23.34%0.03512%0.124CC..Iπ-helixtrans-130.8-57.4-169.5-68.3-85.1000113.6G146 T292 L293 F296 F365 N371 D372 Y373G146-Y369 VanDerWaalsContact CA-CE1 3.49Å; G146-Y369 PolarHBondContact N-OH 3.19Å; G146-Y369 WeakPolarHBondContact O-CE1 3.46Å; T292-Y369 HydrophobicContact CG2-CD1 3.9Å; T292-Y369 HydrophobicContact CG2-CE1 3.66Å; T292-Y369 PolarHBondContact O-OH 2.93Å; L293-Y369 HydrophobicContact CD2-CD2 3.86Å; L293-Y369 HydrophobicContact CD2-CG 4.11Å; F296-Y369 AromaticContact CD1-CE2 3.66Å; F296-Y369 HydrophobicContact CD1-CE2 3.66Å; F296-Y369 AromaticContact CD1-CZ 3.9Å; F296-Y369 VanDerWaalsContact CD1-OH 3.28Å; F296-Y369 WeakPolarHBondContact CD1-OH 3.35Å; F296-Y369 AromaticContact CE1-CE2 3.87Å; F296-Y369 HydrophobicContact CE1-CE2 3.87Å; F365-Y369 PolarHBondContact O-N 2.92Å; Y369-N371 PolarHBondContact O-N 3.16Å; Y369-D372 PolarHBondContact O-N 3.49Å; Y369-Y373 HydrophobicContact CD1-CE2 4.17Å; Y369-Y373 WeakPolarHBondContact O-CD2 3.33Å; Y369-Y373 PolarHBondContact O-N 3.32Å
370L98.2Very high94.8Very high0 Ų024 Ų240%013%0.127CC..Iπ-helixtrans-66.1-43.9-162.7-61.7162.5000113.3L263 L349 I352 R353 L356 F365 T366 D372 Y373 I374L263-L370 HydrophobicContact CD1-CD2 4.46Å; L349-L370 HydrophobicContact CD2-CD2 4.17Å; I352-L370 HydrophobicContact CB-CD2 4.25Å; I352-L370 HydrophobicContact CG2-CD1 4.15Å; I352-L370 HydrophobicContact CG2-CD2 3.75Å; R353-L370 HydrophobicContact CB-CB 4.35Å; R353-L370 HydrophobicContact CB-CD1 3.79Å; R353-L370 HydrophobicContact CG-CD1 4.24Å; L356-L370 HydrophobicContact CD1-CD1 3.84Å; F365-L370 PolarHBondContact O-N 2.88Å; T366-L370 PolarHBondContact O-N 3.34Å; L370-D372 PolarHBondContact O-N 3.47Å; L370-Y373 PolarHBondContact O-N 3.48Å; L370-I374 HydrophobicContact CB-CD1 4.5Å; L370-I374 WeakPolarHBondContact O-CB 3.37Å; L370-I374 WeakPolarHBondContact O-CD1 3.12Å; L370-I374 WeakPolarHBondContact O-CG1 3.45Å; L370-I374 PolarHBondContact O-N 3.45Å
371N97.4Very high95.3Very high4 Ų418.3 Ų18.32%0.0219%0.09CC..Hα-helixtrans-58.7-37.9179.6-72.3-20.2000111.1L238 R241 R353 T366 E367 Y369 V375L238-N371 HydrophobicContact CD2-CB 3.86Å; R241-N371 PolarHBondContact NH1-ND2 3.5Å; R241-N371 VanDerWaalsContact NH1-ND2 3.11Å; R353-N371 PolarHBondContact NE-OD1 2.8Å; T366-N371 VanDerWaalsContact CG2-OD1 3.26Å; T366-N371 WeakPolarHBondContact CG2-OD1 3.36Å; T366-N371 WeakPolarHBondContact O-CB 3.25Å; T366-N371 VanDerWaalsContact O-CG 3.26Å; T366-N371 PolarHBondContact O-N 3.15Å; T366-N371 PolarHBondContact O-ND2 2.78Å; E367-N371 PolarHBondContact OE1-ND2 2.95Å; E367-N371 PolarHBondContact OE2-ND2 3.38Å; Y369-N371 PolarHBondContact O-N 3.16Å; N371-V375 WeakPolarHBondContact O-CG2 3.44Å; N371-V375 PolarHBondContact O-N 3.46Å
372D97.8Very high95.7Very high3 Ų318.4 Ų18.42%0.0169%0.088CC..Hα-helixtrans-75.1-42.6177.9-63.9-21000111F147 R241 L243 Y369 L370 I374 V375 W376F147-D372 HydrophobicContact CB-CB 3.47Å; F147-D372 VanDerWaalsContact CB-CB 3.47Å; F147-D372 HydrophobicContact CD1-CB 3.83Å; F147-D372 HydrophobicContact CD2-CB 3.85Å; F147-D372 HydrophobicContact CG-CB 3.43Å; F147-D372 VanDerWaalsContact CG-CB 3.43Å; R241-D372 IonicContact CZ-OD1 2.7Å; R241-D372 VanDerWaalsContact CZ-OD1 3.28Å; R241-D372 IonicContact NE-OD1 3.03Å; R241-D372 PolarHBondContact NE-OD1 2.97Å; R241-D372 IonicContact NH2-OD1 3.4Å; R241-D372 PolarHBondContact NH2-OD1 3.21Å; R241-D372 IonicContact NH2-OD2 2.7Å; L243-D372 HydrophobicContact CD2-CB 3.83Å; L243-D372 VanDerWaalsContact CD2-O 3.26Å; L243-D372 WeakPolarHBondContact CD2-O 2.75Å; Y369-D372 PolarHBondContact O-N 3.49Å; L370-D372 PolarHBondContact O-N 3.47Å; D372-I374 VanDerWaalsContact C-N 3.29Å; D372-I374 PolarHBondContact O-N 2.93Å; D372-V375 PolarHBondContact O-N 3.4Å; D372-W376 WeakPolarHBondContact O-CB 3.22Å; D372-W376 PolarHBondContact O-N 2.92Å
373Y98.6Very high95.8Very high8 Ų819.9 Ų19.93%0.03110%0.096CC..Hα-helixtrans-58.4-39.8172.8-91.2-65.9000112.8F147 I256 G259 L260 L263 Y369 L370 W376 I377F147-Y373 HydrophobicContact CD2-CD1 4.02Å; F147-Y373 AromaticContact CD2-CD2 3.76Å; F147-Y373 HydrophobicContact CD2-CD2 3.76Å; F147-Y373 HydrophobicContact CD2-CE1 4.09Å; F147-Y373 AromaticContact CD2-CE2 3.85Å; F147-Y373 HydrophobicContact CD2-CE2 3.85Å; F147-Y373 AromaticContact CD2-CG 3.84Å; F147-Y373 HydrophobicContact CD2-CG 3.84Å; F147-Y373 AromaticContact CE2-CD1 3.7Å; F147-Y373 HydrophobicContact CE2-CD1 3.7Å; F147-Y373 HydrophobicContact CE2-CD2 4.3Å; F147-Y373 AromaticContact CE2-CE1 3.78Å; F147-Y373 HydrophobicContact CE2-CE1 3.78Å; F147-Y373 HydrophobicContact CE2-CE2 4.38Å; F147-Y373 AromaticContact CE2-CG 3.96Å; F147-Y373 HydrophobicContact CE2-CG 3.96Å; I256-Y373 HydrophobicContact CG2-CD1 4.49Å; I256-Y373 HydrophobicContact CG2-CE1 3.68Å; I256-Y373 WeakPolarHBondContact O-CE1 3.46Å; I256-Y373 PolarHBondContact O-OH 2.88Å; G259-Y373 WeakPolarHBondContact CA-OH 3.18Å; L260-Y373 HydrophobicContact CB-CD1 4.31Å; L260-Y373 HydrophobicContact CB-CE1 3.86Å; L260-Y373 HydrophobicContact CD1-CD1 4.37Å; L260-Y373 PolarHBondContact N-OH 3.34Å; L263-Y373 HydrophobicContact CD1-CD2 3.71Å; L263-Y373 HydrophobicContact CD1-CE2 3.82Å; L263-Y373 HydrophobicContact CD1-CG 4.29Å; Y369-Y373 HydrophobicContact CD1-CE2 4.17Å; Y369-Y373 WeakPolarHBondContact O-CD2 3.33Å; Y369-Y373 PolarHBondContact O-N 3.32Å; L370-Y373 PolarHBondContact O-N 3.48Å; Y373-W376 AromaticContact CD1-CE3 3.8Å; Y373-W376 HydrophobicContact CD1-CE3 3.8Å; Y373-W376 HydrophobicContact CD1-CZ3 4.05Å; Y373-W376 HydrophobicContact CE1-CE3 4.24Å; Y373-W376 HydrophobicContact CE1-CZ3 4.19Å; Y373-W376 PolarHBondContact O-N 3.45Å; Y373-I377 WeakPolarHBondContact O-CB 3.19Å; Y373-I377 WeakPolarHBondContact O-CG2 3.32Å; Y373-I377 PolarHBondContact O-N 2.96Å
374I98.6Very high96Very high0 Ų018 Ų180%09%0.093CC..Hα-helixtrans-63-43.2177.1-73.9163.3000111L235 L238 L346 L349 L350 R353 L370 D372 I377 Q378L235-I374 HydrophobicContact CD2-CG2 3.67Å; L238-I374 HydrophobicContact CD1-CB 4.15Å; L238-I374 HydrophobicContact CD1-CD1 4.17Å; L238-I374 HydrophobicContact CD1-CG2 3.6Å; L346-I374 HydrophobicContact CD1-CB 4.42Å; L346-I374 HydrophobicContact CD1-CG2 3.84Å; L349-I374 HydrophobicContact CB-CG1 3.78Å; L350-I374 HydrophobicContact CD2-CD1 4Å; R353-I374 HydrophobicContact CB-CD1 4.36Å; L370-I374 HydrophobicContact CB-CD1 4.5Å; L370-I374 WeakPolarHBondContact O-CB 3.37Å; L370-I374 WeakPolarHBondContact O-CD1 3.12Å; L370-I374 WeakPolarHBondContact O-CG1 3.45Å; L370-I374 PolarHBondContact O-N 3.45Å; D372-I374 VanDerWaalsContact C-N 3.29Å; D372-I374 PolarHBondContact O-N 2.93Å; I374-I377 WeakPolarHBondContact O-CG2 3.44Å; I374-Q378 WeakPolarHBondContact O-CG 3.41Å; I374-Q378 PolarHBondContact O-NE2 3.07Å
375V97.9Very high96.3Very high6 Ų618 Ų184%0.0369%0.093CC..Hα-helixtrans-72.1-42.2176.9177.10000110.5T91 L238 R241 L243 N371 D372 Q378 T379T91-V375 HydrophobicContact CG2-CG1 3.93Å; T91-V375 HydrophobicContact CG2-CG2 4.43Å; L238-V375 HydrophobicContact CB-CG2 3.99Å; L238-V375 WeakPolarHBondContact O-CG2 3.49Å; R241-V375 HydrophobicContact CB-CG2 4.21Å; L243-V375 HydrophobicContact CD1-CB 4.39Å; L243-V375 HydrophobicContact CD1-CG1 3.83Å; L243-V375 HydrophobicContact CD2-CB 3.95Å; L243-V375 HydrophobicContact CD2-CG1 4.09Å; L243-V375 HydrophobicContact CG-CB 4.12Å; L243-V375 HydrophobicContact CG-CG1 3.68Å; N371-V375 WeakPolarHBondContact O-CG2 3.44Å; N371-V375 PolarHBondContact O-N 3.46Å; D372-V375 PolarHBondContact O-N 3.4Å; V375-Q378 PolarHBondContact O-N 3.39Å; V375-T379 HydrophobicContact CG1-CG2 4.41Å; V375-T379 PolarHBondContact O-N 3.39Å; V375-T379 PolarHBondContact O-OG1 2.7Å
376W97.7Very high96.4Very high3 Ų318 Ų181%0.0119%0.093CC..Hα-helixtrans-63.8-44.8-178.6170.186.5000112.6F147 L243 I256 Y257 L260 D372 Y373 Q378 T379 R380 A381F147-W376 HydrophobicContact CE2-CB 3.91Å; F147-W376 HydrophobicContact CE2-CD2 4.25Å; F147-W376 AromaticContact CE2-CG 3.96Å; F147-W376 HydrophobicContact CE2-CG 3.96Å; F147-W376 HydrophobicContact CZ-CB 3.63Å; F147-W376 AromaticContact CZ-CD1 3.66Å; F147-W376 HydrophobicContact CZ-CD2 4.15Å; F147-W376 AromaticContact CZ-CG 3.53Å; F147-W376 HydrophobicContact CZ-CG 3.53Å; L243-W376 HydrophobicContact CD1-CB 3.96Å; L243-W376 HydrophobicContact CD2-CB 4.21Å; I256-W376 HydrophobicContact CB-CZ2 4.36Å; I256-W376 HydrophobicContact CG2-CD2 3.85Å; I256-W376 HydrophobicContact CG2-CE3 4.15Å; I256-W376 HydrophobicContact CG2-CG 4.48Å; I256-W376 HydrophobicContact CG2-CH2 3.86Å; I256-W376 HydrophobicContact CG2-CZ2 3.54Å; I256-W376 HydrophobicContact CG2-CZ3 4.14Å; Y257-W376 AromaticContact CD1-CH2 3.78Å; Y257-W376 HydrophobicContact CD1-CH2 3.78Å; Y257-W376 HydrophobicContact CD1-CZ2 4.28Å; Y257-W376 HydrophobicContact CD2-CH2 4.26Å; Y257-W376 HydrophobicContact CD2-CZ2 4.04Å; Y257-W376 AromaticContact CE1-CH2 3.72Å; Y257-W376 HydrophobicContact CE1-CH2 3.72Å; Y257-W376 AromaticContact CE1-CZ2 3.97Å; Y257-W376 HydrophobicContact CE1-CZ2 3.97Å; Y257-W376 HydrophobicContact CE2-CH2 4.19Å; Y257-W376 AromaticContact CE2-CZ2 3.7Å; Y257-W376 HydrophobicContact CE2-CZ2 3.7Å; Y257-W376 HydrophobicContact CG-CH2 4.04Å; Y257-W376 HydrophobicContact CG-CZ2 4.29Å; Y257-W376 AromaticContact CZ-CH2 3.91Å; Y257-W376 AromaticContact CZ-CZ2 3.64Å; L260-W376 HydrophobicContact CB-CZ3 4.39Å; L260-W376 HydrophobicContact CD2-CH2 4.46Å; L260-W376 HydrophobicContact CD2-CZ3 4.04Å; D372-W376 WeakPolarHBondContact O-CB 3.22Å; D372-W376 PolarHBondContact O-N 2.92Å; Y373-W376 AromaticContact CD1-CE3 3.8Å; Y373-W376 HydrophobicContact CD1-CE3 3.8Å; Y373-W376 HydrophobicContact CD1-CZ3 4.05Å; Y373-W376 HydrophobicContact CE1-CE3 4.24Å; Y373-W376 HydrophobicContact CE1-CZ3 4.19Å; Y373-W376 PolarHBondContact O-N 3.45Å; W376-Q378 PolarHBondContact O-N 2.68Å; W376-T379 PolarHBondContact O-N 3.48Å; W376-R380 HydrophobicContact CG-CB 4.42Å; W376-R380 PolarHBondContact O-N 3.21Å; W376-A381 HydrophobicContact CD2-CB 4.07Å; W376-A381 HydrophobicContact CE3-CB 4.07Å; W376-A381 HydrophobicContact CH2-CB 3.79Å; W376-A381 HydrophobicContact CZ2-CB 3.77Å; W376-A381 HydrophobicContact CZ3-CB 3.95Å; W376-A381 PolarHBondContact O-N 3.18Å
377I97.9Very high96.6Very high0 Ų019.6 Ų19.60%010%0.1CC..Hα-helixtrans-61.8-31.7179-16763.3000111.2L260 K342 C345 L346 L349 Y373 I374 A381 L386L260-I377 HydrophobicContact CD2-CD1 4.2Å; K342-I377 WeakPolarHBondContact CE-O 3.45Å; K342-I377 PolarHBondContact NZ-O 3.28Å; C345-I377 HydrophobicContact CB-CD1 3.94Å; C345-I377 HydrophobicContact CB-CG1 3.87Å; L346-I377 HydrophobicContact CB-CG2 4.08Å; L346-I377 HydrophobicContact CD1-CG2 3.77Å; L349-I377 HydrophobicContact CD1-CB 4.29Å; L349-I377 HydrophobicContact CD1-CG2 3.95Å; Y373-I377 WeakPolarHBondContact O-CB 3.19Å; Y373-I377 WeakPolarHBondContact O-CG2 3.32Å; Y373-I377 PolarHBondContact O-N 2.96Å; I374-I377 WeakPolarHBondContact O-CG2 3.44Å; I377-A381 HydrophobicContact CD1-CB 3.74Å; I377-L386 HydrophobicContact CD1-CD1 3.81Å; I377-L386 HydrophobicContact CD1-CD2 4.33Å
378Q96.4Very high96.9Very high0 Ų017.9 Ų17.90%09%0.094CC..Hα-helixtrans-76.6-45.8178.1-68.4176.688.600111.8L89 T91 K342 L346 I374 V375 W376L89-Q378 HydrophobicContact CB-CB 4.35Å; L89-Q378 HydrophobicContact CB-CG 4.31Å; L89-Q378 HydrophobicContact CD2-CG 4.17Å; T91-Q378 PolarHBondContact OG1-NE2 3.4Å; T91-Q378 PolarHBondContact OG1-OE1 3.02Å; K342-Q378 PolarHBondContact NZ-O 2.92Å; K342-Q378 VanDerWaalsContact NZ-O 3.11Å; L346-Q378 HydrophobicContact CD1-CG 3.98Å; L346-Q378 HydrophobicContact CD2-CG 3.78Å; L346-Q378 HydrophobicContact CG-CG 4.48Å; I374-Q378 WeakPolarHBondContact O-CG 3.41Å; I374-Q378 PolarHBondContact O-NE2 3.07Å; V375-Q378 PolarHBondContact O-N 3.39Å; W376-Q378 PolarHBondContact O-N 2.68Å
379T93.9Very high97.1Very high47 Ų4717.6 Ų17.629%0.2889%0.093SC..Hα-helixtrans-99.7-41.2-164.3560000114.6T91 V375 W376T91-T379 HydrophobicContact CG2-CG2 3.85Å; V375-T379 HydrophobicContact CG1-CG2 4.41Å; V375-T379 PolarHBondContact O-N 3.39Å; V375-T379 PolarHBondContact O-OG1 2.7Å; W376-T379 PolarHBondContact O-N 3.48Å
380R93.9Very high97.1Very high57 Ų5717.1 Ų17.122%0.2159%0.091CC..THydrogen-bonded Turntrans-114.4-29.8-168.4-65.1-173.6-174.8171.90.1114Q117 L243 P244 W376 C382Q117-R380 PolarHBondContact NE2-O 2.88Å; L243-R380 HydrophobicContact CD1-CG 4.16Å; P244-R380 PolarHBondContact O-NH1 2.89Å; P244-R380 PolarHBondContact O-NH2 3.23Å; W376-R380 HydrophobicContact CG-CB 4.42Å; W376-R380 PolarHBondContact O-N 3.21Å; R380-C382 PolarHBondContact O-N 3.34Å
381A95.1Very high97.1Very high2 Ų222.1 Ų22.12%0.01711%0.112CC..  trans-63.6131.9-179.800000112.2K342 W376 I377K342-A381 PolarHBondContact NZ-O 3.46Å; K342-A381 VanDerWaalsContact NZ-O 3.1Å; W376-A381 HydrophobicContact CD2-CB 4.07Å; W376-A381 HydrophobicContact CE3-CB 4.07Å; W376-A381 HydrophobicContact CH2-CB 3.79Å; W376-A381 HydrophobicContact CZ2-CB 3.77Å; W376-A381 HydrophobicContact CZ3-CB 3.95Å; W376-A381 PolarHBondContact O-N 3.18Å; I377-A381 HydrophobicContact CD1-CB 3.74Å
382C94.7Very high97.1Very high13 Ų1322.4 Ų22.49%0.08812%0.115CC..  trans-89.8122.9179.5-66.30000110.2F119 Y257 R380 S384 N385 L386F119-C382 HydrophobicContact CD2-CB 4.48Å; F119-C382 HydrophobicContact CE2-CB 4.2Å; Y257-C382 PolarHBondContact OH-N 3.28Å; R380-C382 PolarHBondContact O-N 3.34Å; C382-S384 PolarHBondContact O-N 3.22Å; C382-N385 HydrophobicContact CB-CB 4.18Å; C382-N385 PolarHBondContact O-N 3.04Å; C382-N385 VanDerWaalsContact O-N 3.07Å; C382-L386 PolarHBondContact O-N 3.21Å
383E95.3Very high97.2Very high58 Ų5822.3 Ų22.327%0.27111%0.114SC..Hα-helixtrans-57.1-39.6178.2-161.5-163.9125.600111.8T341 K342 N385 L386 H387T341-E383 HydrophobicContact CG2-CG 3.83Å; K342-E383 HydrophobicContact CD-CB 4.35Å; E383-N385 VanDerWaalsContact C-N 3.29Å; E383-N385 PolarHBondContact O-N 3.28Å; E383-L386 PolarHBondContact O-N 3.33Å; E383-H387 PolarHBondContact O-CD2 3.36Å; E383-H387 PolarHBondContact O-N 3.43Å; E383-H387 IonicContact OE1-CD2 3.61Å; E383-H387 IonicContact OE1-NE2 3.43Å; E383-H387 PolarHBondContact OE1-NE2 2.9Å
384S96.2Very high97.2Very high55 Ų5527.7 Ų27.739%0.38514%0.14SC..Hα-helixtrans-59.9-37.4177.358.30000113.1F119 C382 D388F119-S384 VanDerWaalsContact CE2-OG 3.26Å; F119-S384 WeakPolarHBondContact CE2-OG 3.35Å; F119-S384 WeakPolarHBondContact CZ-OG 3.4Å; C382-S384 PolarHBondContact O-N 3.22Å; S384-D388 VanDerWaalsContact O-CB 3.25Å; S384-D388 WeakPolarHBondContact O-CB 3.07Å; S384-D388 PolarHBondContact O-N 3.21Å
385N97.8Very high97.1Very high7 Ų734.2 Ų34.24%0.03717%0.17CC..Hα-helixtrans-74.9-34.3-179.9-72-1.8000111.1W120 L122 W124 Y257 C382 E383 D388 L389W120-N385 PolarHBondContact O-ND2 2.96Å; W120-N385 PolarHBondContact O-OD1 3.15Å; L122-N385 HydrophobicContact CD1-CB 4.3Å; W124-N385 HydrophobicContact CZ2-CB 4.35Å; W124-N385 WeakPolarHBondContact CZ2-O 3.23Å; Y257-N385 HydrophobicContact CE1-CB 3.8Å; Y257-N385 HydrophobicContact CE2-CB 4.2Å; C382-N385 HydrophobicContact CB-CB 4.18Å; C382-N385 PolarHBondContact O-N 3.04Å; C382-N385 VanDerWaalsContact O-N 3.07Å; E383-N385 VanDerWaalsContact C-N 3.29Å; E383-N385 PolarHBondContact O-N 3.28Å; N385-D388 PolarHBondContact O-N 3.06Å; N385-L389 VanDerWaalsContact O-CB 3.26Å; N385-L389 WeakPolarHBondContact O-CB 3.17Å; N385-L389 PolarHBondContact O-N 3.47Å
386L98.4Very high97.1Very high0 Ų035 Ų350%017%0.173CC..Hα-helixtrans-62.2-48.2170.9-65.4170.1000111.1Y257 L260 L336 T341 K342 I377 C382 E383 D388 L389 G390Y257-L386 HydrophobicContact CD1-CD2 3.82Å; Y257-L386 HydrophobicContact CD1-CG 4.49Å; Y257-L386 HydrophobicContact CE1-CD2 3.73Å; Y257-L386 HydrophobicContact CE1-CG 3.97Å; L260-L386 HydrophobicContact CD2-CD2 3.7Å; L336-L386 HydrophobicContact CD2-CB 4.32Å; L336-L386 HydrophobicContact CD2-CD2 3.98Å; T341-L386 HydrophobicContact CG2-CB 3.88Å; T341-L386 HydrophobicContact CG2-CD1 3.81Å; K342-L386 HydrophobicContact CG-CD1 3.73Å; I377-L386 HydrophobicContact CD1-CD1 3.81Å; I377-L386 HydrophobicContact CD1-CD2 4.33Å; C382-L386 PolarHBondContact O-N 3.21Å; E383-L386 PolarHBondContact O-N 3.33Å; L386-D388 VanDerWaalsContact C-N 3.35Å; L386-D388 PolarHBondContact O-N 3.02Å; L386-L389 PolarHBondContact O-N 3.36Å; L386-G390 PolarHBondContact O-N 3.2Å
387H97.9Very high97.1Very high37 Ų3743.2 Ų43.217%0.17121%0.209CC..Hα-helixtrans-61-43.2176.6-74.4-59.1000112.3L336 H338 E383 G390 K391L336-H387 PolarHBondContact O-ND1 3.34Å; H338-H387 PolarHBondContact O-CE1 3.33Å; E383-H387 PolarHBondContact O-CD2 3.36Å; E383-H387 PolarHBondContact O-N 3.43Å; E383-H387 IonicContact OE1-CD2 3.61Å; E383-H387 IonicContact OE1-NE2 3.43Å; E383-H387 PolarHBondContact OE1-NE2 2.9Å; H387-G390 PolarHBondContact O-N 3.38Å; H387-K391 WeakPolarHBondContact O-CG 3.29Å; H387-K391 PolarHBondContact O-N 2.98Å
388D98Very high97.1Very high60 Ų6044.5 Ų44.532%0.32122%0.215SC..Hα-helixtrans-67.9-39.2180-169.260.5000112.4W124 S384 N385 L386 G390 K391 S392W124-D388 PolarHBondContact NE1-OD2 2.89Å; S384-D388 VanDerWaalsContact O-CB 3.25Å; S384-D388 WeakPolarHBondContact O-CB 3.07Å; S384-D388 PolarHBondContact O-N 3.21Å; N385-D388 PolarHBondContact O-N 3.06Å; L386-D388 VanDerWaalsContact C-N 3.35Å; L386-D388 PolarHBondContact O-N 3.02Å; D388-G390 VanDerWaalsContact C-N 3.33Å; D388-G390 PolarHBondContact O-N 2.93Å; D388-K391 PolarHBondContact O-N 3.27Å; D388-S392 WeakPolarHBondContact O-CB 3.35Å; D388-S392 PolarHBondContact O-N 3.05Å; D388-S392 PolarHBondContact O-OG 3.25Å
389L98.7Very high97.2Very high0 Ų049.9 Ų49.90%024%0.239CC..Hα-helixtrans-60-44.1169.5179.661000110.9W124 L258 L261 L302 L336 N385 L386 K391 S392 L393W124-L389 HydrophobicContact CD2-CB 4.36Å; W124-L389 HydrophobicContact CD2-CD1 3.76Å; W124-L389 HydrophobicContact CE3-CD1 3.69Å; W124-L389 HydrophobicContact CG-CD1 4.26Å; W124-L389 HydrophobicContact CH2-CB 4.01Å; W124-L389 HydrophobicContact CH2-CD1 4.4Å; W124-L389 HydrophobicContact CZ2-CB 3.72Å; W124-L389 HydrophobicContact CZ3-CB 4.48Å; W124-L389 HydrophobicContact CZ3-CD1 4.02Å; L258-L389 HydrophobicContact CD2-CD1 4.31Å; L261-L389 HydrophobicContact CB-CD2 4.3Å; L261-L389 HydrophobicContact CD2-CD1 4.22Å; L261-L389 HydrophobicContact CD2-CD2 4.39Å; L261-L389 HydrophobicContact CD2-CG 4.45Å; L302-L389 HydrophobicContact CD1-CD1 3.99Å; L336-L389 HydrophobicContact CD1-CB 4.49Å; L336-L389 HydrophobicContact CD1-CD2 4.08Å; L336-L389 HydrophobicContact CD1-CG 3.99Å; N385-L389 VanDerWaalsContact O-CB 3.26Å; N385-L389 WeakPolarHBondContact O-CB 3.17Å; N385-L389 PolarHBondContact O-N 3.47Å; L386-L389 PolarHBondContact O-N 3.36Å; L389-K391 PolarHBondContact O-N 3.39Å; L389-S392 PolarHBondContact O-N 3.41Å; L389-L393 VanDerWaalsContact O-CB 3.25Å; L389-L393 WeakPolarHBondContact O-CB 3.45Å; L389-L393 PolarHBondContact O-N 3.2Å
390G98.5Very high97.4Very high0 Ų049.7 Ų49.70%023%0.234CC..Hα-helixtrans-59.2-44.7176.200000112.9Q337 L386 H387 D388 L393 E394Q337-G390 PolarHBondContact NE2-O 3.19Å; L386-G390 PolarHBondContact O-N 3.2Å; H387-G390 PolarHBondContact O-N 3.38Å; D388-G390 VanDerWaalsContact C-N 3.33Å; D388-G390 PolarHBondContact O-N 2.93Å; G390-L393 PolarHBondContact O-N 2.94Å; G390-E394 PolarHBondContact O-N 3.23Å
391K98.3Very high97.6Very high104 Ų10451.3 Ų51.345%0.45225%0.247SC..Hα-helixtrans-65-44.2175.3-71.9173.4-174.3173.20112.1H387 D388 L389 L393 E394 Q395H387-K391 WeakPolarHBondContact O-CG 3.29Å; H387-K391 PolarHBondContact O-N 2.98Å; D388-K391 PolarHBondContact O-N 3.27Å; L389-K391 PolarHBondContact O-N 3.39Å; K391-L393 VanDerWaalsContact C-N 3.32Å; K391-L393 PolarHBondContact O-N 2.7Å; K391-E394 WeakPolarHBondContact O-CB 3.37Å; K391-E394 PolarHBondContact O-N 2.81Å; K391-Q395 WeakPolarHBondContact O-CG 3.46Å; K391-Q395 PolarHBondContact O-N 3.36Å
392S98.6Very high97.7Very high11 Ų1155.3 Ų55.38%0.07726%0.264CS..Hα-helixtrans-65-38.8178.2-63.80000111.4D388 L389 Q395 F396D388-S392 WeakPolarHBondContact O-CB 3.35Å; D388-S392 PolarHBondContact O-N 3.05Å; D388-S392 PolarHBondContact O-OG 3.25Å; L389-S392 PolarHBondContact O-N 3.41Å; S392-Q395 PolarHBondContact O-N 3.2Å; S392-F396 PolarHBondContact O-N 2.92Å
393L98.6Very high97.8Very high0 Ų054.7 Ų54.70%026%0.26CS..Hα-helixtrans-62.2-41.8173.2-177.763.8000111.5L261 F265 L302 V306 K329 A332 T333 L336 L389 G390 K391 Q395 F396L261-L393 HydrophobicContact CD1-CD2 3.96Å; L261-L393 HydrophobicContact CD2-CD1 4.43Å; L261-L393 HydrophobicContact CD2-CD2 4.4Å; F265-L393 HydrophobicContact CE1-CD2 4.07Å; F265-L393 HydrophobicContact CZ-CD1 3.87Å; F265-L393 HydrophobicContact CZ-CD2 3.99Å; L302-L393 HydrophobicContact CD1-CB 4.43Å; L302-L393 HydrophobicContact CD1-CD1 3.9Å; V306-L393 HydrophobicContact CG2-CD1 3.55Å; K329-L393 HydrophobicContact CD-CD1 4.25Å; K329-L393 WeakPolarHBondContact CE-O 3.49Å; K329-L393 HydrophobicContact CG-CD1 4.01Å; K329-L393 HydrophobicContact CG-CG 4.21Å; K329-L393 PolarHBondContact NZ-O 2.99Å; A332-L393 HydrophobicContact CB-CD2 4.13Å; T333-L393 WeakPolarHBondContact OG1-CD2 3.37Å; T333-L393 WeakPolarHBondContact OG1-CG 3.33Å; L336-L393 HydrophobicContact CD1-CD2 4.47Å; L389-L393 VanDerWaalsContact O-CB 3.25Å; L389-L393 WeakPolarHBondContact O-CB 3.45Å; L389-L393 PolarHBondContact O-N 3.2Å; G390-L393 PolarHBondContact O-N 2.94Å; K391-L393 VanDerWaalsContact C-N 3.32Å; K391-L393 PolarHBondContact O-N 2.7Å; L393-Q395 VanDerWaalsContact C-N 3.34Å; L393-Q395 PolarHBondContact O-N 3.29Å; L393-F396 PolarHBondContact O-N 3.07Å
394E98.1Very high97.9Very high122 Ų12257.3 Ų57.357%0.5728%0.276SS*.Hα-helixtrans-59.2-45.9175-166.7173.7-173.900111.7T333 Q337 G390 K391 F396T333-E394 HydrophobicContact CG2-CB 3.68Å; T333-E394 HydrophobicContact CG2-CG 4.07Å; Q337-E394 PolarHBondContact NE2-OE2 3.27Å; G390-E394 PolarHBondContact O-N 3.23Å; K391-E394 WeakPolarHBondContact O-CB 3.37Å; K391-E394 PolarHBondContact O-N 2.81Å; E394-F396 VanDerWaalsContact C-N 3.34Å; E394-F396 PolarHBondContact O-N 3.01Å
395Q97.9Very high98Very high137 Ų13755.1 Ų55.164%0.6426%0.26SS*.Hα-helixtrans-68.4-30.5-178.6-68.4173.326.100113.3K391 S392 L393 K397K391-Q395 WeakPolarHBondContact O-CG 3.46Å; K391-Q395 PolarHBondContact O-N 3.36Å; S392-Q395 PolarHBondContact O-N 3.2Å; L393-Q395 VanDerWaalsContact C-N 3.34Å; L393-Q395 PolarHBondContact O-N 3.29Å; Q395-K397 PolarHBondContact O-N 2.6Å; Q395-K397 VanDerWaalsContact O-N 3.14Å
396F98.2Very high97.9Very high22 Ų2259.8 Ų59.810%0.09628%0.284CS..  trans-66.5113.3-178.7-178.1-115000111.9F125 L302 P303 V306 K329 S392 L393 E394 M398 F402F125-F396 HydrophobicContact CE1-CB 4.09Å; F125-F396 AromaticContact CE1-CD2 3.89Å; F125-F396 HydrophobicContact CE1-CD2 3.89Å; F125-F396 HydrophobicContact CE1-CG 4.34Å; F125-F396 HydrophobicContact CZ-CB 4.37Å; L302-F396 HydrophobicContact CD2-CB 4.3Å; P303-F396 HydrophobicContact CB-CE2 4.07Å; P303-F396 HydrophobicContact CB-CZ 3.94Å; P303-F396 HydrophobicContact CG-CD2 4.41Å; P303-F396 HydrophobicContact CG-CE2 3.87Å; P303-F396 HydrophobicContact CG-CZ 4.23Å; V306-F396 HydrophobicContact CB-CD1 4.12Å; V306-F396 HydrophobicContact CB-CE1 3.83Å; V306-F396 HydrophobicContact CG1-CD1 3.95Å; V306-F396 HydrophobicContact CG1-CE1 3.71Å; V306-F396 HydrophobicContact CG2-CD1 4.11Å; V306-F396 HydrophobicContact CG2-CE1 4.32Å; K329-F396 VanDerWaalsContact CE-O 3.31Å; K329-F396 WeakPolarHBondContact CE-O 3.49Å; K329-F396 PolarHBondContact NZ-O 3.3Å; S392-F396 PolarHBondContact O-N 2.92Å; L393-F396 PolarHBondContact O-N 3.07Å; E394-F396 VanDerWaalsContact C-N 3.34Å; E394-F396 PolarHBondContact O-N 3.01Å; F396-M398 HydrophobicContact CE1-CB 4.3Å; F396-M398 HydrophobicContact CE1-SD 3.75Å; F396-M398 HydrophobicContact CZ-SD 4.19Å; F396-M398 PolarHBondContact O-N 3.29Å; F396-F402 HydrophobicContact CE2-CE2 4.25Å; F396-F402 HydrophobicContact CZ-CD2 4.07Å; F396-F402 HydrophobicContact CZ-CE2 4Å
397K97.3Very high97.9Very high176 Ų17659.8 Ų59.877%0.76529%0.285SS*.  trans-88.297.4177.7-65.2-175.6-177.11790110.5Q395Q395-K397 PolarHBondContact O-N 2.6Å; Q395-K397 VanDerWaalsContact O-N 3.14Å
398M97.7Very high97.9Very high26 Ų2663.2 Ų63.213%0.12830%0.299CS..  trans-66.3135.7176.6-170.154.5-175.500111.3V306 V307 Y310 W322 F396 F402 V403V306-M398 HydrophobicContact CG1-CB 4.49Å; V306-M398 HydrophobicContact CG1-CG 4.24Å; V306-M398 HydrophobicContact CG1-SD 3.94Å; V307-M398 HydrophobicContact CB-CE 4.37Å; V307-M398 HydrophobicContact CG2-CE 3.86Å; V307-M398 HydrophobicContact CG2-SD 4.19Å; Y310-M398 HydrophobicContact CD1-CE 4.25Å; Y310-M398 HydrophobicContact CD1-CG 3.98Å; Y310-M398 HydrophobicContact CD2-CE 4.41Å; Y310-M398 HydrophobicContact CD2-CG 4.23Å; Y310-M398 HydrophobicContact CE1-CB 4.45Å; Y310-M398 HydrophobicContact CE1-CG 3.75Å; Y310-M398 HydrophobicContact CE2-CG 4.02Å; Y310-M398 HydrophobicContact CG-CE 3.96Å; Y310-M398 HydrophobicContact CG-CG 4.2Å; W322-M398 HydrophobicContact CH2-CE 4.09Å; W322-M398 HydrophobicContact CH2-CG 3.74Å; W322-M398 HydrophobicContact CZ2-CB 4.42Å; W322-M398 HydrophobicContact CZ2-CG 3.9Å; F396-M398 HydrophobicContact CE1-CB 4.3Å; F396-M398 HydrophobicContact CE1-SD 3.75Å; F396-M398 HydrophobicContact CZ-SD 4.19Å; F396-M398 PolarHBondContact O-N 3.29Å; M398-F402 HydrophobicContact CE-CB 4.03Å; M398-F402 HydrophobicContact SD-CB 4.32Å; M398-F402 HydrophobicContact SD-CD2 3.91Å; M398-V403 HydrophobicContact CE-CG1 3.45Å; M398-V403 VanDerWaalsContact CE-CG1 3.45Å
399K97.8Very high97.9Very high114 Ų11466.3 Ų66.350%0.49631%0.311SS..  trans-123.2145.5179.8-61.2-177.4-172.8174.30110.4W322 D401 F402W322-K399 WeakPolarHBondContact CH2-O 3.09Å; K399-D401 PolarHBondContact O-N 3.43Å; K399-F402 HydrophobicContact CB-CD1 4.27Å; K399-F402 HydrophobicContact CB-CD2 3.97Å; K399-F402 HydrophobicContact CB-CE1 4.31Å; K399-F402 HydrophobicContact CB-CE2 4Å; K399-F402 HydrophobicContact CB-CG 4.11Å; K399-F402 HydrophobicContact CB-CZ 4.19Å; K399-F402 HydrophobicContact CD-CE1 4.03Å; K399-F402 HydrophobicContact CD-CE2 4.2Å; K399-F402 HydrophobicContact CD-CZ 3.72Å; K399-F402 HydrophobicContact CG-CD2 4.43Å; K399-F402 HydrophobicContact CG-CE2 3.96Å; K399-F402 HydrophobicContact CG-CZ 4.02Å; K399-F402 WeakPolarHBondContact O-CB 3.4Å; K399-F402 PolarHBondContact O-N 3.26Å
400K98.1Very high97.8Very high43 Ų4367.4 Ų67.419%0.18732%0.317CS..G310 helixtrans-58.1-33.1177.7-65.4-171.5-175.4-171.90113W322 F402 V403 L407 K408 E411W322-K400 HydrophobicContact CD2-CD 4.46Å; W322-K400 HydrophobicContact CD2-CG 3.86Å; W322-K400 HydrophobicContact CE3-CG 3.8Å; W322-K400 VanDerWaalsContact CH2-CA 3.48Å; W322-K400 HydrophobicContact CH2-CB 4.3Å; W322-K400 HydrophobicContact CH2-CG 3.87Å; W322-K400 VanDerWaalsContact CH2-N 3.35Å; W322-K400 HydrophobicContact CZ2-CG 3.89Å; W322-K400 HydrophobicContact CZ3-CB 4.25Å; W322-K400 HydrophobicContact CZ3-CG 3.81Å; K400-F402 PolarHBondContact O-N 3.03Å; K400-V403 WeakPolarHBondContact O-CG2 3.25Å; K400-V403 PolarHBondContact O-N 3.14Å; K400-L407 HydrophobicContact CB-CB 4.3Å; K400-L407 HydrophobicContact CB-CD1 4.34Å; K400-L407 HydrophobicContact CD-CB 4.18Å; K400-L407 HydrophobicContact CG-CD1 4.31Å; K400-K408 HydrophobicContact CB-CG 4.23Å; K400-K408 HydrophobicContact CD-CG 4.3Å; K400-E411 IonicContact NZ-OE1 2.72Å; K400-E411 PolarHBondContact NZ-OE1 3.41Å; K400-E411 IonicContact NZ-OE2 2.85Å; K400-E411 PolarHBondContact NZ-OE2 2.94Å
401D97.8Very high97.8Very high90 Ų9068.2 Ų68.248%0.48132%0.321SS..G310 helixtrans-66.3-24.6178.9-46.2-52000112.4K399 V403 D404 K408K399-D401 PolarHBondContact O-N 3.43Å; D401-V403 VanDerWaalsContact C-N 3.28Å; D401-V403 PolarHBondContact O-N 2.86Å; D401-D404 PolarHBondContact O-N 2.97Å; D401-K408 WeakPolarHBondContact OD1-CE 3.4Å; D401-K408 IonicContact OD1-NZ 2.63Å; D401-K408 PolarHBondContact OD1-NZ 3.23Å; D401-K408 IonicContact OD2-NZ 2.65Å; D401-K408 PolarHBondContact OD2-NZ 3.36Å
402F97.7Very high97.8Very high87 Ų8768.7 Ų68.738%0.38233%0.325SS..G310 helixtrans-72.8-24-178.9-60.6-20.1000112.9V307 F396 M398 K399 K400 D404V307-F402 VanDerWaalsContact CG1-O 3.26Å; V307-F402 WeakPolarHBondContact CG1-O 3.45Å; V307-F402 HydrophobicContact CG2-CB 3.82Å; F396-F402 HydrophobicContact CE2-CE2 4.25Å; F396-F402 HydrophobicContact CZ-CD2 4.07Å; F396-F402 HydrophobicContact CZ-CE2 4Å; M398-F402 HydrophobicContact CE-CB 4.03Å; M398-F402 HydrophobicContact SD-CB 4.32Å; M398-F402 HydrophobicContact SD-CD2 3.91Å; K399-F402 HydrophobicContact CB-CD1 4.27Å; K399-F402 HydrophobicContact CB-CD2 3.97Å; K399-F402 HydrophobicContact CB-CE1 4.31Å; K399-F402 HydrophobicContact CB-CE2 4Å; K399-F402 HydrophobicContact CB-CG 4.11Å; K399-F402 HydrophobicContact CB-CZ 4.19Å; K399-F402 HydrophobicContact CD-CE1 4.03Å; K399-F402 HydrophobicContact CD-CE2 4.2Å; K399-F402 HydrophobicContact CD-CZ 3.72Å; K399-F402 HydrophobicContact CG-CD2 4.43Å; K399-F402 HydrophobicContact CG-CE2 3.96Å; K399-F402 HydrophobicContact CG-CZ 4.02Å; K399-F402 WeakPolarHBondContact O-CB 3.4Å; K399-F402 PolarHBondContact O-N 3.26Å; K400-F402 PolarHBondContact O-N 3.03Å; F402-D404 VanDerWaalsContact C-N 3.3Å
403V97.8Very high97.7Very high0 Ų071.5 Ų71.50%034%0.341CS..G310 helixtrans-81-8.9176.1-60.10000112.6R311 W322 M398 K400 D401 L405 L407R311-V403 WeakPolarHBondContact CD-O 3.39Å; R311-V403 HydrophobicContact CG-CB 3.58Å; R311-V403 HydrophobicContact CG-CG1 3.95Å; R311-V403 VanDerWaalsContact CG-O 3.31Å; R311-V403 WeakPolarHBondContact CG-O 3.37Å; R311-V403 PolarHBondContact NH1-O 3.46Å; W322-V403 HydrophobicContact CZ3-CG1 3.99Å; W322-V403 HydrophobicContact CZ3-CG2 4.17Å; M398-V403 HydrophobicContact CE-CG1 3.45Å; M398-V403 VanDerWaalsContact CE-CG1 3.45Å; K400-V403 WeakPolarHBondContact O-CG2 3.25Å; K400-V403 PolarHBondContact O-N 3.14Å; D401-V403 VanDerWaalsContact C-N 3.28Å; D401-V403 PolarHBondContact O-N 2.86Å; V403-L405 VanDerWaalsContact C-N 3.34Å; V403-L405 HydrophobicContact CG2-CB 4.31Å; V403-L405 HydrophobicContact CG2-CD1 4.49Å; V403-L405 WeakPolarHBondContact O-CG 3.49Å; V403-L405 PolarHBondContact O-N 2.56Å; V403-L407 HydrophobicContact CG2-CD1 3.56Å; V403-L407 HydrophobicContact CG2-CG 3.96Å
404D96.8Very high97.6Very high112 Ų11271.8 Ų71.860%0.59934%0.344SS*.  trans47.852.5174-158.232.9000113.7R311 D401 F402R311-D404 PolarHBondContact NH1-O 2.83Å; D401-D404 PolarHBondContact O-N 2.97Å; F402-D404 VanDerWaalsContact C-N 3.3Å
405L97.6Very high97.5Very high10 Ų1070.4 Ų70.45%0.05234%0.337CS..SBendtrans-13318.7177.9-68.5175.1000111.1F190 R311 V403 L407 I410F190-L405 HydrophobicContact CB-CD2 4.06Å; F190-L405 HydrophobicContact CD1-CB 4.38Å; F190-L405 HydrophobicContact CD1-CD2 4.08Å; F190-L405 HydrophobicContact CD2-CD1 3.88Å; F190-L405 HydrophobicContact CE1-CB 4.21Å; F190-L405 HydrophobicContact CE2-CD1 4.09Å; F190-L405 HydrophobicContact CG-CD1 4.14Å; F190-L405 HydrophobicContact CG-CD2 3.98Å; F190-L405 HydrophobicContact CZ-CB 4.44Å; R311-L405 HydrophobicContact CG-CD1 4.47Å; V403-L405 VanDerWaalsContact C-N 3.34Å; V403-L405 HydrophobicContact CG2-CB 4.31Å; V403-L405 HydrophobicContact CG2-CD1 4.49Å; V403-L405 WeakPolarHBondContact O-CG 3.49Å; V403-L405 PolarHBondContact O-N 2.56Å; L405-L407 HydrophobicContact CB-CD2 3.97Å; L405-L407 HydrophobicContact CB-CG 4.28Å; L405-L407 PolarHBondContact O-N 2.62Å; L405-I410 VanDerWaalsContact O-CD1 3.25Å; L405-I410 WeakPolarHBondContact O-CD1 3.47Å
406D96.9Very high97.5Very high104 Ų10468.7 Ų68.756%0.55633%0.329SS*.  trans51.128.4178.8-62.4-37.1000116.2K408 Q409 I410D406-K408 PolarHBondContact O-N 2.94Å; D406-Q409 HydrophobicContact CB-CB 4.48Å; D406-Q409 WeakPolarHBondContact O-CB 3.21Å; D406-Q409 PolarHBondContact O-N 3.05Å; D406-I410 PolarHBondContact O-N 3Å
407L98.1Very high97.2Very high1 Ų170.8 Ų70.81%0.00535%0.346CS..Hα-helixtrans-53.4-37.7-172.4-58.9-176000113.7F190 Y195 L314 W322 K400 V403 L405 Q409 I410 E411F190-L407 HydrophobicContact CE1-CD2 4.42Å; F190-L407 HydrophobicContact CE2-CD2 4.31Å; F190-L407 HydrophobicContact CZ-CD2 3.68Å; Y195-L407 HydrophobicContact CD1-CD2 4.32Å; Y195-L407 HydrophobicContact CD2-CD2 4.39Å; Y195-L407 HydrophobicContact CE1-CD2 3.99Å; Y195-L407 HydrophobicContact CE2-CD1 4.49Å; Y195-L407 HydrophobicContact CE2-CD2 4.09Å; L314-L407 HydrophobicContact CD1-CD1 3.67Å; W322-L407 HydrophobicContact CE3-CD1 3.66Å; W322-L407 HydrophobicContact CZ3-CD1 3.91Å; K400-L407 HydrophobicContact CB-CB 4.3Å; K400-L407 HydrophobicContact CB-CD1 4.34Å; K400-L407 HydrophobicContact CD-CB 4.18Å; K400-L407 HydrophobicContact CG-CD1 4.31Å; V403-L407 HydrophobicContact CG2-CD1 3.56Å; V403-L407 HydrophobicContact CG2-CG 3.96Å; L405-L407 HydrophobicContact CB-CD2 3.97Å; L405-L407 HydrophobicContact CB-CG 4.28Å; L405-L407 PolarHBondContact O-N 2.62Å; L407-Q409 PolarHBondContact O-N 3.45Å; L407-I410 PolarHBondContact O-N 2.95Å; L407-E411 WeakPolarHBondContact O-CB 3.36Å; L407-E411 WeakPolarHBondContact O-CG 3.42Å; L407-E411 PolarHBondContact O-N 3.25Å
408K97.6Very high97Very high109 Ų10965.4 Ų65.447%0.47433%0.325SS..Hα-helixtrans-64-41.4178.8-69.8-179.1-176.1160.30112.2K400 D401 D406 Q412K400-K408 HydrophobicContact CB-CG 4.23Å; K400-K408 HydrophobicContact CD-CG 4.3Å; D401-K408 WeakPolarHBondContact OD1-CE 3.4Å; D401-K408 IonicContact OD1-NZ 2.63Å; D401-K408 PolarHBondContact OD1-NZ 3.23Å; D401-K408 IonicContact OD2-NZ 2.65Å; D401-K408 PolarHBondContact OD2-NZ 3.36Å; D406-K408 PolarHBondContact O-N 2.94Å; K408-Q412 WeakPolarHBondContact O-CB 3.15Å; K408-Q412 PolarHBondContact O-N 2.72Å; K408-Q412 VanDerWaalsContact O-N 3.08Å
409Q97.5Very high96.8Very high124 Ų12470.5 Ų70.558%0.57935%0.347SS*.Hα-helixtrans-69.8-44.8178.4-178.4177.9-2.700110.1D406 L407 E411 Q412 V413D406-Q409 HydrophobicContact CB-CB 4.48Å; D406-Q409 WeakPolarHBondContact O-CB 3.21Å; D406-Q409 PolarHBondContact O-N 3.05Å; L407-Q409 PolarHBondContact O-N 3.45Å; Q409-E411 PolarHBondContact O-N 3.5Å; Q409-Q412 PolarHBondContact O-N 2.89Å; Q409-V413 WeakPolarHBondContact O-CG2 3.35Å; Q409-V413 PolarHBondContact O-N 3.45Å
410I97.9Very high96.6Very high23 Ų2370.5 Ų70.512%0.11835%0.35CS..Hα-helixtrans-56.7-48.9176.5-72.2167.8000111.2F190 V192 Y195 L196 L405 D406 L407 Q412 V413 G414F190-I410 HydrophobicContact CE1-CD1 3.66Å; F190-I410 HydrophobicContact CZ-CD1 4.22Å; V192-I410 HydrophobicContact CG1-CD1 4.32Å; V192-I410 HydrophobicContact CG1-CG1 4.19Å; V192-I410 HydrophobicContact CG1-CG2 3.66Å; V192-I410 HydrophobicContact CG2-CD1 3.95Å; V192-I410 HydrophobicContact CG2-CG1 4.48Å; Y195-I410 HydrophobicContact CD1-CG2 3.99Å; Y195-I410 HydrophobicContact CE1-CG2 4.33Å; L196-I410 HydrophobicContact CD1-CG2 4.09Å; L196-I410 HydrophobicContact CD2-CG2 3.58Å; L196-I410 HydrophobicContact CG-CG2 3.77Å; L405-I410 VanDerWaalsContact O-CD1 3.25Å; L405-I410 WeakPolarHBondContact O-CD1 3.47Å; D406-I410 PolarHBondContact O-N 3Å; L407-I410 PolarHBondContact O-N 2.95Å; I410-Q412 PolarHBondContact O-N 3.2Å; I410-V413 PolarHBondContact O-N 2.95Å; I410-G414 PolarHBondContact O-N 3.35Å
411E98Very high96.4Very high17 Ų1773.7 Ų73.78%0.07937%0.366CS..Hα-helixtrans-62.8-42.6178.4-73.1165.5-153.200112Y195 Y199 K400 L407 Q409 G414 H415Y195-E411 HydrophobicContact CE1-CG 3.96Å; Y195-E411 PolarHBondContact OH-OE1 2.63Å; Y199-E411 HydrophobicContact CD2-CG 4.03Å; Y199-E411 HydrophobicContact CE1-CB 4.5Å; Y199-E411 HydrophobicContact CE1-CG 4.24Å; Y199-E411 VanDerWaalsContact CE2-CD 3.48Å; Y199-E411 HydrophobicContact CE2-CG 3.66Å; Y199-E411 HydrophobicContact CG-CG 4.44Å; K400-E411 IonicContact NZ-OE1 2.72Å; K400-E411 PolarHBondContact NZ-OE1 3.41Å; K400-E411 IonicContact NZ-OE2 2.85Å; K400-E411 PolarHBondContact NZ-OE2 2.94Å; L407-E411 WeakPolarHBondContact O-CB 3.36Å; L407-E411 WeakPolarHBondContact O-CG 3.42Å; L407-E411 PolarHBondContact O-N 3.25Å; Q409-E411 PolarHBondContact O-N 3.5Å; E411-G414 PolarHBondContact O-N 3.49Å; E411-H415 PolarHBondContact O-CD2 3.08Å; E411-H415 PolarHBondContact O-N 3.09Å
412Q97.6Very high96.1Very high115 Ų11575.6 Ų75.654%0.53737%0.372SS..Hα-helixtrans-59.5-48.3176.9-178.7-177.1-17.600111.1K408 Q409 I410 G414 H415 E416K408-Q412 WeakPolarHBondContact O-CB 3.15Å; K408-Q412 PolarHBondContact O-N 2.72Å; K408-Q412 VanDerWaalsContact O-N 3.08Å; Q409-Q412 PolarHBondContact O-N 2.89Å; I410-Q412 PolarHBondContact O-N 3.2Å; Q412-G414 VanDerWaalsContact C-N 3.3Å; Q412-G414 PolarHBondContact O-N 3.1Å; Q412-H415 PolarHBondContact O-N 3.35Å; Q412-E416 WeakPolarHBondContact CG-OE1 3.46Å; Q412-E416 PolarHBondContact NE2-OE1 3.05Å; Q412-E416 WeakPolarHBondContact O-CG 3.42Å; Q412-E416 PolarHBondContact O-N 3.43Å
413V96.4Very high95.9Very high70 Ų7075.7 Ų75.742%0.42438%0.375SS..Hα-helixtrans-61-41.9177172.80000110.6Q409 I410 H415 E416 C417Q409-V413 WeakPolarHBondContact O-CG2 3.35Å; Q409-V413 PolarHBondContact O-N 3.45Å; I410-V413 PolarHBondContact O-N 2.95Å; V413-H415 PolarHBondContact O-N 3.24Å; V413-E416 PolarHBondContact O-N 3.26Å; V413-C417 PolarHBondContact O-N 2.89Å; V413-C417 PolarHBondContact O-SG 3.44Å; V413-C417 VanDerWaalsContact O-SG 3.41Å
414G96.8Very high95.6Very high5 Ų580.8 Ų80.85%0.05240%0.399CS..Hα-helixtrans-57.4-45.4175.100000113.1F200 I410 E411 Q412 E416 C417 L418F200-G414 VanDerWaalsContact CZ-C 3.47Å; I410-G414 PolarHBondContact O-N 3.35Å; E411-G414 PolarHBondContact O-N 3.49Å; Q412-G414 VanDerWaalsContact C-N 3.3Å; Q412-G414 PolarHBondContact O-N 3.1Å; G414-E416 VanDerWaalsContact C-N 3.35Å; G414-E416 PolarHBondContact O-N 2.99Å; G414-C417 PolarHBondContact O-N 2.97Å; G414-L418 PolarHBondContact O-N 2.97Å; G414-L418 VanDerWaalsContact O-N 3.09Å
415H97.1Very high95.3Very high93 Ų9379.2 Ų79.243%0.43139%0.391SS..Hα-helixtrans-64.3-38.7176.3-79.4-69.6000112.3Y199 F200 E411 Q412 V413 K419Y199-H415 AromaticContact CE1-NE2 3.47Å; Y199-H415 WeakPolarHBondContact CE1-NE2 3.49Å; Y199-H415 AromaticContact CZ-NE2 3.67Å; Y199-H415 PolarHBondContact OH-NE2 3.49Å; F200-H415 AromaticContact CE1-CE1 3.64Å; F200-H415 AromaticContact CE1-ND1 3.74Å; E411-H415 PolarHBondContact O-CD2 3.08Å; E411-H415 PolarHBondContact O-N 3.09Å; Q412-H415 PolarHBondContact O-N 3.35Å; V413-H415 PolarHBondContact O-N 3.24Å; H415-K419 WeakPolarHBondContact O-CB 3.4Å; H415-K419 PolarHBondContact O-N 3.13Å; H415-K419 VanDerWaalsContact O-N 3.13Å
416E96.2Very high95Very high101 Ų10181.4 Ų81.447%0.47241%0.407SS..Hα-helixtrans-64.7-41.7176.7-71.4172-168.600111.5Q412 V413 G414 M420Q412-E416 WeakPolarHBondContact CG-OE1 3.46Å; Q412-E416 PolarHBondContact NE2-OE1 3.05Å; Q412-E416 WeakPolarHBondContact O-CG 3.42Å; Q412-E416 PolarHBondContact O-N 3.43Å; V413-E416 PolarHBondContact O-N 3.26Å; G414-E416 VanDerWaalsContact C-N 3.35Å; G414-E416 PolarHBondContact O-N 2.99Å; E416-M420 VanDerWaalsContact O-CG 3.28Å; E416-M420 WeakPolarHBondContact O-CG 3.29Å; E416-M420 PolarHBondContact O-N 3.18Å; E416-M420 VanDerWaalsContact O-N 3.13Å
417C93.6Very high94.6Very high67 Ų6782 Ų8245%0.45341%0.41SS..Hα-helixtrans-61.7-51.5175.8-73.50000112.3V413 G414 K419 M420 E421V413-C417 PolarHBondContact O-N 2.89Å; V413-C417 PolarHBondContact O-SG 3.44Å; V413-C417 VanDerWaalsContact O-SG 3.41Å; G414-C417 PolarHBondContact O-N 2.97Å; C417-K419 VanDerWaalsContact C-N 3.31Å; C417-K419 PolarHBondContact O-N 3.45Å; C417-M420 WeakPolarHBondContact O-CB 3.33Å; C417-M420 PolarHBondContact O-N 3.33Å; C417-E421 PolarHBondContact O-N 2.79Å
418L92.5Very high94.1Very high63 Ų6386.9 Ų86.933%0.3343%0.431SS..Hα-helixtrans-58.5-43.4179.2-75.4175.7000112.2F200 G414 M420 E421 E422F200-L418 HydrophobicContact CB-CD1 4.47Å; F200-L418 HydrophobicContact CD1-CD1 3.31Å; F200-L418 HydrophobicContact CD2-CD1 3.94Å; F200-L418 HydrophobicContact CE1-CD1 3.3Å; F200-L418 HydrophobicContact CE2-CD1 3.93Å; F200-L418 HydrophobicContact CG-CD1 3.66Å; F200-L418 HydrophobicContact CZ-CD1 3.64Å; G414-L418 PolarHBondContact O-N 2.97Å; G414-L418 VanDerWaalsContact O-N 3.09Å; L418-M420 VanDerWaalsContact C-N 3.27Å; L418-M420 PolarHBondContact O-N 3.06Å; L418-E421 PolarHBondContact O-N 3.14Å; L418-E422 WeakPolarHBondContact O-CG 3.32Å; L418-E422 PolarHBondContact O-N 3.35Å
419K94.1Very high93.5Very high133 Ų13388 Ų8858%0.57844%0.438SS*.Hα-helixtrans-61.6-36.4177.3-173.5178-179-179.70112.3H415 C417 L423H415-K419 WeakPolarHBondContact O-CB 3.4Å; H415-K419 PolarHBondContact O-N 3.13Å; H415-K419 VanDerWaalsContact O-N 3.13Å; C417-K419 VanDerWaalsContact C-N 3.31Å; C417-K419 PolarHBondContact O-N 3.45Å; K419-L423 HydrophobicContact CG-CD1 4.39Å; K419-L423 WeakPolarHBondContact O-CB 3.32Å; K419-L423 VanDerWaalsContact O-CG 3.24Å; K419-L423 WeakPolarHBondContact O-CG 3.1Å; K419-L423 PolarHBondContact O-N 2.85Å; K419-L423 VanDerWaalsContact O-N 3.15Å
420M93.7Very high92.7Very high114 Ų11488.3 Ų88.356%0.56244%0.441SS*.Hα-helixtrans-69-38.6176.8-70.9-66.6166.600111.8E416 C417 L418 L423 Q424E416-M420 VanDerWaalsContact O-CG 3.28Å; E416-M420 WeakPolarHBondContact O-CG 3.29Å; E416-M420 PolarHBondContact O-N 3.18Å; E416-M420 VanDerWaalsContact O-N 3.13Å; C417-M420 WeakPolarHBondContact O-CB 3.33Å; C417-M420 PolarHBondContact O-N 3.33Å; L418-M420 VanDerWaalsContact C-N 3.27Å; L418-M420 PolarHBondContact O-N 3.06Å; M420-L423 PolarHBondContact O-N 2.88Å; M420-Q424 VanDerWaalsContact O-CG 3.29Å; M420-Q424 WeakPolarHBondContact O-CG 3.48Å; M420-Q424 PolarHBondContact O-N 2.93Å
421E92.1Very high91.7Very high110 Ų11090 Ų9051%0.51446%0.455SS..Hα-helixtrans-64.5-47.3175.9-69.617717800111.7C417 L418 L423 Q424 D425C417-E421 PolarHBondContact O-N 2.79Å; L418-E421 PolarHBondContact O-N 3.14Å; E421-L423 VanDerWaalsContact C-N 3.3Å; E421-L423 PolarHBondContact O-N 3.33Å; E421-Q424 PolarHBondContact O-N 2.95Å; E421-Q424 VanDerWaalsContact O-N 3.14Å; E421-D425 PolarHBondContact O-N 3.01Å
422E92.7Very high90.5Very high130 Ų13095.5 Ų95.561%0.60748%0.479SS*.Hα-helixtrans-58.5-40.5176.1-71.3177170.200112.5L418 S426L418-E422 WeakPolarHBondContact O-CG 3.32Å; L418-E422 PolarHBondContact O-N 3.35Å; E422-S426 WeakPolarHBondContact O-CB 3.4Å; E422-S426 PolarHBondContact O-N 3.31Å; E422-S426 PolarHBondContact O-OG 3.36Å
423L92.6Very high89.2Confident88 Ų8893.4 Ų93.446%0.46148%0.477SS..Hα-helixtrans-66.6-43175.9-75.8171.5000111.7K419 M420 E421 D425 S426 L427K419-L423 HydrophobicContact CG-CD1 4.39Å; K419-L423 WeakPolarHBondContact O-CB 3.32Å; K419-L423 VanDerWaalsContact O-CG 3.24Å; K419-L423 WeakPolarHBondContact O-CG 3.1Å; K419-L423 PolarHBondContact O-N 2.85Å; K419-L423 VanDerWaalsContact O-N 3.15Å; M420-L423 PolarHBondContact O-N 2.88Å; E421-L423 VanDerWaalsContact C-N 3.3Å; E421-L423 PolarHBondContact O-N 3.33Å; L423-D425 VanDerWaalsContact C-N 3.34Å; L423-S426 PolarHBondContact O-N 2.93Å; L423-L427 WeakPolarHBondContact O-CB 3.28Å; L423-L427 VanDerWaalsContact O-CG 3.26Å; L423-L427 WeakPolarHBondContact O-CG 3.24Å; L423-L427 PolarHBondContact O-N 3.37Å
424Q91.3Very high87.7Confident108 Ų10892.8 Ų92.851%0.50548%0.479SS..Hα-helixtrans-63.4-41.5176.7-75.31799.400111.6M420 E421 L427 K428M420-Q424 VanDerWaalsContact O-CG 3.29Å; M420-Q424 WeakPolarHBondContact O-CG 3.48Å; M420-Q424 PolarHBondContact O-N 2.93Å; E421-Q424 PolarHBondContact O-N 2.95Å; E421-Q424 VanDerWaalsContact O-N 3.14Å; Q424-L427 PolarHBondContact O-N 3.48Å; Q424-K428 WeakPolarHBondContact O-CG 3.44Å; Q424-K428 PolarHBondContact O-N 2.92Å
425D91.1Very high86Confident78 Ų7897.4 Ų97.442%0.41750%0.502SS..Hα-helixtrans-70.7-37.5179.1-74.3-13.3000112.1E421 L423 L427 K428 Q429E421-D425 PolarHBondContact O-N 3.01Å; L423-D425 VanDerWaalsContact C-N 3.34Å; D425-L427 PolarHBondContact O-N 3.49Å; D425-K428 PolarHBondContact O-N 3.08Å; D425-K428 IonicContact OD1-NZ 2.8Å; D425-K428 PolarHBondContact OD1-NZ 3.05Å; D425-Q429 WeakPolarHBondContact O-CG 3.46Å; D425-Q429 PolarHBondContact O-N 3.46Å
426S90.7Very high84.1Confident56 Ų5697.9 Ų97.939%0.39251%0.508SS..Hα-helixtrans-60.8-43.1171-61.40000112E422 L423 Q429 M430E422-S426 WeakPolarHBondContact O-CB 3.4Å; E422-S426 PolarHBondContact O-N 3.31Å; E422-S426 PolarHBondContact O-OG 3.36Å; L423-S426 PolarHBondContact O-N 2.93Å; S426-Q429 PolarHBondContact O-N 3.12Å; S426-M430 WeakPolarHBondContact O-CG 3.26Å; S426-M430 PolarHBondContact O-N 2.68Å
427L89.3Confident82.3Confident118 Ų11899.4 Ų99.462%0.61852%0.518SS*.Hα-helixtrans-64.3-41.3176.2-74.9169.1000112L423 Q424 D425 M430 S431L423-L427 WeakPolarHBondContact O-CB 3.28Å; L423-L427 VanDerWaalsContact O-CG 3.26Å; L423-L427 WeakPolarHBondContact O-CG 3.24Å; L423-L427 PolarHBondContact O-N 3.37Å; Q424-L427 PolarHBondContact O-N 3.48Å; D425-L427 PolarHBondContact O-N 3.49Å; L427-M430 PolarHBondContact O-N 3.06Å; L427-S431 PolarHBondContact O-N 3.37Å
428K87.1Confident80.6Confident102 Ų102102.8 Ų102.844%0.44353%0.527SS..Hα-helixtrans-60.7-48.4173.8-71.3170.8-160.8154.60110.7Q424 D425 M430 S431 F432Q424-K428 WeakPolarHBondContact O-CG 3.44Å; Q424-K428 PolarHBondContact O-N 2.92Å; D425-K428 PolarHBondContact O-N 3.08Å; D425-K428 IonicContact OD1-NZ 2.8Å; D425-K428 PolarHBondContact OD1-NZ 3.05Å; K428-M430 VanDerWaalsContact C-N 3.32Å; K428-M430 PolarHBondContact O-N 3.09Å; K428-S431 PolarHBondContact O-N 3.29Å; K428-S431 PolarHBondContact O-OG 3.35Å; K428-F432 HydrophobicContact CB-CE2 4.38Å; K428-F432 WeakPolarHBondContact O-CD2 3.41Å; K428-F432 PolarHBondContact O-N 2.65Å
429Q84.4Confident78.9Confident133 Ų133106.7 Ų106.762%0.62155%0.548SS*.Hα-helixtrans-60.3-39.1178.8-71.6176.914.800112.8D425 S426 F432 S433D425-Q429 WeakPolarHBondContact O-CG 3.46Å; D425-Q429 PolarHBondContact O-N 3.46Å; S426-Q429 PolarHBondContact O-N 3.12Å; Q429-F432 PolarHBondContact O-N 2.96Å; Q429-S433 PolarHBondContact O-N 3.33Å; Q429-S433 VanDerWaalsContact O-N 3.08Å; Q429-S433 PolarHBondContact O-OG 3.44Å
430M81.2Confident77Confident131 Ų131108.5 Ų108.565%0.64556%0.559SS**Hα-helixtrans-64.4-39.7173-72.8-178.8-171.700112.2S426 L427 K428 S433 A434S426-M430 WeakPolarHBondContact O-CG 3.26Å; S426-M430 PolarHBondContact O-N 2.68Å; L427-M430 PolarHBondContact O-N 3.06Å; K428-M430 VanDerWaalsContact C-N 3.32Å; K428-M430 PolarHBondContact O-N 3.09Å; M430-S433 PolarHBondContact O-N 3.19Å; M430-A434 PolarHBondContact O-N 3.07Å; M430-A434 VanDerWaalsContact O-N 3.1Å
431S77Confident75.1Confident59 Ų59110.6 Ų110.641%0.41357%0.565SS.*Hα-helixtrans-67.3-36.6178.173.40000113.3L427 K428 N435L427-S431 PolarHBondContact O-N 3.37Å; K428-S431 PolarHBondContact O-N 3.29Å; K428-S431 PolarHBondContact O-OG 3.35Å; S431-N435 PolarHBondContact O-N 3.38Å
432F73.4Confident73.2Confident132 Ų132111.1 Ų111.158%0.57958%0.578SS**Hα-helixtrans-67.6-43.3173.5-74.3-69.3000111.9K428 Q429 A434 N435 D436K428-F432 HydrophobicContact CB-CE2 4.38Å; K428-F432 WeakPolarHBondContact O-CD2 3.41Å; K428-F432 PolarHBondContact O-N 2.65Å; Q429-F432 PolarHBondContact O-N 2.96Å; F432-A434 VanDerWaalsContact C-N 3.26Å; F432-A434 PolarHBondContact O-N 3.03Å; F432-N435 PolarHBondContact O-N 3.13Å; F432-N435 VanDerWaalsContact O-N 3.09Å; F432-D436 PolarHBondContact O-N 3.15Å
433S69.1Low71.7Confident71 Ų71114.3 Ų114.350%0.49759%0.59SS.*Hα-helixtrans-62.1-32.8178-56.90000112.8Q429 M430 I437Q429-S433 PolarHBondContact O-N 3.33Å; Q429-S433 VanDerWaalsContact O-N 3.08Å; Q429-S433 PolarHBondContact O-OG 3.44Å; M430-S433 PolarHBondContact O-N 3.19Å; S433-I437 WeakPolarHBondContact O-CG1 3.4Å
434A65.4Low70.2Confident56 Ų56115.9 Ų115.946%0.46361%0.605SS.*Hα-helixtrans-68.7-36175.100000112.6M430 F432M430-A434 PolarHBondContact O-N 3.07Å; M430-A434 VanDerWaalsContact O-N 3.1Å; F432-A434 VanDerWaalsContact C-N 3.26Å; F432-A434 PolarHBondContact O-N 3.03Å
435N60.5Low68.5Low102 Ų102119.3 Ų119.355%0.54563%0.626SS.*Hα-helixtrans-74.4-35.4178.3-69.1-18000112.3S431 F432 I437 E438S431-N435 PolarHBondContact O-N 3.38Å; F432-N435 PolarHBondContact O-N 3.13Å; F432-N435 VanDerWaalsContact O-N 3.09Å; N435-I437 VanDerWaalsContact C-N 3.27Å; N435-I437 PolarHBondContact O-N 2.96Å; N435-E438 PolarHBondContact O-N 3.45Å; N435-E438 VanDerWaalsContact O-N 3.12Å
436D58.7Low66.4Low103 Ų103124.5 Ų124.555%0.55165%0.648SS**Hα-helixtrans-67.4-24.9178.4-72.2-25.6000113.4F432 E438 D439F432-D436 PolarHBondContact O-N 3.15Å; D436-E438 VanDerWaalsContact C-N 3.31Å; D436-D439 PolarHBondContact O-N 3.01Å
437I58.1Low64.5Low134 Ų134132.1 Ų132.169%0.68769%0.692SS**Hα-helixtrans-70.1-28.7174.1-66.7168000111.2S433 N435S433-I437 WeakPolarHBondContact O-CG1 3.4Å; N435-I437 VanDerWaalsContact C-N 3.27Å; N435-I437 PolarHBondContact O-N 2.96Å
438E57.6Low63.3Low137 Ų137132.8 Ų132.864%0.6470%0.696SS**Hα-helixtrans-73.2-27.9177.5-67.9-160148.400112.9N435 D436N435-E438 PolarHBondContact O-N 3.45Å; N435-E438 VanDerWaalsContact O-N 3.12Å; D436-E438 VanDerWaalsContact C-N 3.31Å
439D57.3Low62Low145 Ų145134.4 Ų134.478%0.77571%0.709SS**Hα-helixtrans-84.5-12.8-178.3-97.8-14.3000114.6D436 K441D436-D439 PolarHBondContact O-N 3.01Å; D439-K441 VanDerWaalsContact C-N 3.31Å; D439-K441 PolarHBondContact O-N 3.41Å
440Q52.7Low60.8Low171 Ų171134.5 Ų134.580%0.79971%0.714SS**THydrogen-bonded Turntrans-90.523.2173.6-69.5-168.51500114.3
441K53.9Low59.6Low158 Ų158134.7 Ų134.769%0.68772%0.718SS**SBendtrans-65.5128.7164.8-79.7176.7-178.31630109.2D439 K443D439-K441 VanDerWaalsContact C-N 3.31Å; D439-K441 PolarHBondContact O-N 3.41Å; K441-K443 PolarHBondContact O-N 2.99Å
442P53.5Low58.5Low122 Ų122139.4 Ų139.479%0.79274%0.737SS**PPolyproline II helixtrans-60.3125.8-174.222.2-30.8000110
443K60.8Low57.5Low197 Ų197139.9 Ų139.986%0.85775%0.748SS**PPolyproline II helixtrans-56128.8169.3-80.3-179.3178.3174.40108K441 L445K441-K443 PolarHBondContact O-N 2.99Å; K443-L445 PolarHBondContact O-N 3.36Å
444P60.3Low56.7Low120 Ų120144.9 Ų144.978%0.77977%0.765SS**PPolyproline II helixtrans-59.7135.2179.622.6-30.6000109.5Q446P444-Q446 PolarHBondContact O-N 3.1Å; P444-Q446 VanDerWaalsContact O-N 3.07Å
445L56.4Low56Low181 Ų181151.7 Ų151.795%0.94879%0.789SS**  trans-51.5116173.4-87.4111.4000109.3K443 T447K443-L445 PolarHBondContact O-N 3.36Å; L445-T447 PolarHBondContact O-N 3.42Å
446Q46.9Very low55.6Low187 Ų187155.8 Ų155.887%0.87481%0.809SS**  trans-80.398.8166.6-77.1-179.4-18.800108.6P444P444-Q446 PolarHBondContact O-N 3.1Å; P444-Q446 VanDerWaalsContact O-N 3.07Å
447T51.4Low55.4Low215 Ų215160.6 Ų160.6100%1.31983%0.832SS**  175.60113.414.90000110.3L445L445-T447 PolarHBondContact O-N 3.42Å

Retrieved 447 of 447 residues in 135.9 ms (Link to these results)

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