A0A077ZHC4_TRITR Loading...

RhoGAP domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZHC4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 388 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
1M33.9Very low71.6Confident236 Ų236114.9 Ų114.9100%1.16362%0.618SS**  0114.60-75.3170.5152.200106.7T3M1-T3 PolarHBondContact O-N 3.02Å
2V38.3Very low73.4Confident149 Ų149108.4 Ų108.490%0.90358%0.582SS**  trans-73.3107.6173.2179.10000105.4G4V2-G4 PolarHBondContact O-N 3.19Å
3T43Very low75Confident135 Ų135106.2 Ų106.283%0.82858%0.577SS**  trans-69.277.1171.846.70000107.8M1M1-T3 PolarHBondContact O-N 3.02Å
4G59.5Low76.3Confident44 Ų44100.4 Ų100.445%0.45454%0.544SS..  trans-67136.4163.700000108V2 V6V2-G4 PolarHBondContact O-N 3.19Å; G4-V6 PolarHBondContact O-N 3.11Å
5D78.3Confident77.5Confident143 Ų14396.1 Ų96.177%0.76552%0.522SS*.  trans-52.6113.9175.8-71.6-36.4000109.5K7D5-K7 PolarHBondContact O-N 3.39Å
6V82.1Confident78.3Confident110 Ų11094.1 Ų94.167%0.66751%0.508SS*.  trans-68.3115.2-179.5176.40000108.1G4 A93G4-V6 PolarHBondContact O-N 3.11Å; V6-A93 VanDerWaalsContact CG1-CA 3.47Å; V6-A93 HydrophobicContact CG1-CB 3.48Å; V6-A93 VanDerWaalsContact CG1-CB 3.48Å
7K88.6Confident78.7Confident84 Ų8488.6 Ų88.637%0.36548%0.478SS..BIsolated β-bridgetrans-93.9126.1-175.5-65.2-177.7-174.2173.60110.7D5 L12 F88 S91 L92 A93D5-K7 PolarHBondContact O-N 3.39Å; K7-L12 HydrophobicContact CB-CD2 4.45Å; K7-L12 HydrophobicContact CD-CD2 4.35Å; K7-F88 HydrophobicContact CD-CD2 4.4Å; K7-F88 HydrophobicContact CD-CE2 4.37Å; K7-S91 PolarHBondContact N-O 3.33Å; K7-L92 HydrophobicContact CB-CD2 4.31Å; K7-L92 CarbonylContact O-C 3.5Å; K7-L92 VanDerWaalsContact O-CA 3.31Å; K7-L92 WeakPolarHBondContact O-CA 3.24Å; K7-A93 PolarHBondContact O-N 3.36Å
8Q90.3Very high79.2Confident77 Ų7788.1 Ų88.136%0.3647%0.471SS..  trans-87.9126.2170.5-68179.1-15.100109.4H10 K11 A93Q8-H10 VanDerWaalsContact C-N 3.29Å; Q8-H10 PolarHBondContact O-N 3.42Å; Q8-H10 PolarHBondContact OE1-CE1 3.05Å; Q8-H10 PolarHBondContact OE1-NE2 3.09Å; Q8-K11 HydrophobicContact CB-CB 4.46Å; Q8-K11 HydrophobicContact CB-CD 4.12Å; Q8-K11 HydrophobicContact CB-CG 4.13Å; Q8-K11 PolarHBondContact O-N 3.32Å; Q8-A93 HydrophobicContact CG-CB 4.01Å
9L91.5Very high79.4Confident16 Ų1684.2 Ų84.28%0.08445%0.449CS..G310 helixtrans-53.5-46.4-175.2-172.866.4000111.5K11 L12 F14 P28 L92 L135 N136L9-K11 PolarHBondContact O-N 3.26Å; L9-K11 VanDerWaalsContact O-N 3.08Å; L9-L12 HydrophobicContact CD1-CD1 4.23Å; L9-L12 WeakPolarHBondContact O-CB 3.46Å; L9-L12 PolarHBondContact O-N 3.44Å; L9-L12 VanDerWaalsContact O-N 3.11Å; L9-F14 HydrophobicContact CD1-CE2 4.43Å; L9-F14 HydrophobicContact CD1-CZ 3.87Å; L9-F14 HydrophobicContact CD2-CZ 4.47Å; L9-F14 HydrophobicContact CG-CE2 4.39Å; L9-F14 HydrophobicContact CG-CZ 3.86Å; L9-F14 VanDerWaalsContact O-CE2 3.32Å; L9-F14 WeakPolarHBondContact O-CE2 3.35Å; L9-P28 HydrophobicContact CD1-CG 3.85Å; L9-L92 HydrophobicContact CD1-CD1 4.49Å; L9-L92 HydrophobicContact CD1-CD2 4.22Å; L9-L135 HydrophobicContact CD2-CB 4.1Å; L9-L135 HydrophobicContact CG-CB 4.47Å; L9-N136 HydrophobicContact CD2-CB 4.36Å; L9-N136 WeakPolarHBondContact CD2-OD1 3.13Å
10H90.8Very high79.3Confident122 Ų12284.2 Ų84.257%0.56546%0.455SS*.G310 helixtrans-65.4-10.9-179.268.5-93.8000115.6Q8 L135Q8-H10 VanDerWaalsContact C-N 3.29Å; Q8-H10 PolarHBondContact O-N 3.42Å; Q8-H10 PolarHBondContact OE1-CE1 3.05Å; Q8-H10 PolarHBondContact OE1-NE2 3.09Å; H10-L135 HydrophobicContact CB-CD1 3.81Å
11K91.8Very high79.3Confident148 Ų14884 Ų8464%0.64345%0.454SS*.G310 helixtrans-95.7-4177-65.6-174.8172.8162.70113.2Q8 L9Q8-K11 HydrophobicContact CB-CB 4.46Å; Q8-K11 HydrophobicContact CB-CD 4.12Å; Q8-K11 HydrophobicContact CB-CG 4.13Å; Q8-K11 PolarHBondContact O-N 3.32Å; L9-K11 PolarHBondContact O-N 3.26Å; L9-K11 VanDerWaalsContact O-N 3.08Å
12L92.5Very high81.4Confident37 Ų3778.2 Ų78.219%0.19443%0.428CS..SBendtrans-84.6153.4-177.8-60.5179.2000111.1K7 L9 F14 P28 F88 L92K7-L12 HydrophobicContact CB-CD2 4.45Å; K7-L12 HydrophobicContact CD-CD2 4.35Å; L9-L12 HydrophobicContact CD1-CD1 4.23Å; L9-L12 WeakPolarHBondContact O-CB 3.46Å; L9-L12 PolarHBondContact O-N 3.44Å; L9-L12 VanDerWaalsContact O-N 3.11Å; L12-F14 HydrophobicContact CB-CE2 4.31Å; L12-F14 WeakPolarHBondContact O-CD2 3.5Å; L12-F14 PolarHBondContact O-N 3.44Å; L12-P28 HydrophobicContact CD1-CB 4.38Å; L12-P28 HydrophobicContact CD1-CG 4.42Å; L12-F88 HydrophobicContact CD1-CE2 3.6Å; L12-F88 HydrophobicContact CD1-CZ 3.43Å; L12-F88 VanDerWaalsContact CD1-CZ 3.43Å; L12-L92 HydrophobicContact CD1-CD2 4.16Å
13P94.2Very high83.4Confident79 Ų7972.6 Ų72.651%0.51339%0.394SS..  trans-68.9127169.628.4-33.1000109.6P28 E29P13-P28 CarbonylContact O-C 3.53Å; P13-P28 VanDerWaalsContact O-CA 3.3Å; P13-P28 WeakPolarHBondContact O-CA 2.92Å; P13-E29 HydrophobicContact CB-CB 4.38Å; P13-E29 HydrophobicContact CG-CB 4.26Å; P13-E29 PolarHBondContact O-N 2.8Å
14F94.1Very high85.3Confident25 Ų2568.4 Ų68.411%0.1137%0.373CS..EExtended strand (participates in β ladder)trans-110.7144.3175.1-83.3-111.7000111.1L9 L12 Y26 A27 P28 L135L9-F14 HydrophobicContact CD1-CE2 4.43Å; L9-F14 HydrophobicContact CD1-CZ 3.87Å; L9-F14 HydrophobicContact CD2-CZ 4.47Å; L9-F14 HydrophobicContact CG-CE2 4.39Å; L9-F14 HydrophobicContact CG-CZ 3.86Å; L9-F14 VanDerWaalsContact O-CE2 3.32Å; L9-F14 WeakPolarHBondContact O-CE2 3.35Å; L12-F14 HydrophobicContact CB-CE2 4.31Å; L12-F14 WeakPolarHBondContact O-CD2 3.5Å; L12-F14 PolarHBondContact O-N 3.44Å; F14-Y26 HydrophobicContact CB-CD1 3.79Å; F14-Y26 HydrophobicContact CB-CD2 4.1Å; F14-Y26 HydrophobicContact CB-CE1 3.23Å; F14-Y26 HydrophobicContact CB-CE2 3.59Å; F14-Y26 HydrophobicContact CB-CG 4.2Å; F14-Y26 WeakPolarHBondContact CB-OH 3.48Å; F14-Y26 AromaticContact CD1-CD1 3.63Å; F14-Y26 HydrophobicContact CD1-CD1 3.63Å; F14-Y26 AromaticContact CD1-CE1 3.89Å; F14-Y26 HydrophobicContact CD1-CE1 3.89Å; F14-Y26 HydrophobicContact CD1-CG 4.08Å; F14-Y26 WeakPolarHBondContact CD1-O 3.45Å; F14-Y26 HydrophobicContact CG-CD1 4Å; F14-Y26 AromaticContact CG-CE1 3.76Å; F14-Y26 HydrophobicContact CG-CE1 3.76Å; F14-Y26 WeakPolarHBondContact O-CE2 3.4Å; F14-Y26 PolarHBondContact O-OH 3.44Å; F14-A27 WeakPolarHBondContact CA-O 3.26Å; F14-P28 HydrophobicContact CE1-CG 4.02Å; F14-P28 HydrophobicContact CE2-CG 4.14Å; F14-P28 HydrophobicContact CZ-CG 3.76Å; F14-L135 HydrophobicContact CD1-CD2 4.25Å; F14-L135 HydrophobicContact CE1-CB 4.27Å; F14-L135 HydrophobicContact CE1-CD2 3.97Å; F14-L135 HydrophobicContact CE2-CD1 4.27Å; F14-L135 HydrophobicContact CE2-CD2 4.42Å; F14-L135 HydrophobicContact CZ-CB 3.94Å; F14-L135 HydrophobicContact CZ-CD1 4.32Å; F14-L135 HydrophobicContact CZ-CD2 4.08Å; F14-L135 HydrophobicContact CZ-CG 4.34Å
15V93.2Very high86.5Confident36 Ų3666.3 Ų66.322%0.21835%0.352CS..EExtended strand (participates in β ladder)trans-128.7149.5178.1-61.60000110.9Y26 A27 E29 V32V15-Y26 VanDerWaalsContact C-CD2 3.45Å; V15-Y26 WeakPolarHBondContact O-CD2 3.44Å; V15-A27 PolarHBondContact N-O 3.34Å; V15-A27 PolarHBondContact O-N 2.96Å; V15-E29 HydrophobicContact CG1-CB 3.88Å; V15-E29 HydrophobicContact CG1-CG 3.89Å; V15-E29 HydrophobicContact CG2-CB 4.32Å; V15-E29 HydrophobicContact CG2-CG 4.48Å; V15-V32 HydrophobicContact CG2-CB 3.86Å; V15-V32 HydrophobicContact CG2-CG1 4.09Å; V15-V32 HydrophobicContact CG2-CG2 3.63Å
16H89.9Confident87.1Confident64 Ų6463.1 Ų63.130%0.29633%0.329SS..EExtended strand (participates in β ladder)trans-77.9127.1170.7-77.2-61.5000110Y26 R223 V282H16-Y26 AromaticContact CD2-CD2 3.96Å; H16-Y26 AromaticContact CD2-CE2 3.97Å; H16-Y26 AromaticContact CE1-CD2 3.38Å; H16-Y26 WeakPolarHBondContact CE1-CD2 3.32Å; H16-Y26 AromaticContact CE1-CE2 3.95Å; H16-Y26 AromaticContact CE1-CG 3.87Å; H16-Y26 AromaticContact CG-CD2 3.8Å; H16-Y26 AromaticContact ND1-CD2 3.46Å; H16-Y26 WeakPolarHBondContact ND1-CD2 3.47Å; H16-Y26 AromaticContact NE2-CD2 3.75Å; H16-Y26 AromaticContact NE2-CE2 3.84Å; H16-R223 PolarHBondContact CE1-NH1 3.22Å; H16-V282 PolarHBondContact O-N 3.08Å
17C86.6Confident87.6Confident1 Ų157.9 Ų57.91%0.00730%0.297CS..EExtended strand (participates in β ladder)trans-122.4143.8174.261.60000109.3A24 A25 V32 F142 I279C17-A24 WeakPolarHBondContact O-CA 3.33Å; C17-A25 PolarHBondContact N-O 3.03Å; C17-A25 PolarHBondContact O-N 3.37Å; C17-A25 PolarHBondContact SG-O 3.01Å; C17-V32 HydrophobicContact CB-CG1 4.06Å; C17-V32 HydrophobicContact CB-CG2 4.31Å; C17-F142 WeakPolarHBondContact SG-CD2 3.49Å; C17-I279 HydrophobicContact CB-CG2 3.97Å
18K86.2Confident88Confident80 Ų8053.9 Ų53.935%0.34828%0.28SS..EExtended strand (participates in β ladder)trans-119.7124.5177.6-167.8178.6177.4-169.90108.5D22 Q280K18-D22 WeakPolarHBondContact CE-OD1 3.44Å; K18-D22 IonicContact NZ-OD1 3.25Å; K18-D22 PolarHBondContact NZ-OD1 3.44Å; K18-Q280 PolarHBondContact N-O 3.43Å; K18-Q280 PolarHBondContact O-N 3.15Å
19F83.5Confident88.2Confident13 Ų1354.7 Ų54.76%0.05728%0.284CS..EExtended strand (participates in β ladder)trans-81164.5172-67.9-84.1000110.3D21 D22 V23 A25 F142 K145 I279F19-D21 VanDerWaalsContact CB-OD1 3.25Å; F19-D21 WeakPolarHBondContact CB-OD1 3.49Å; F19-D21 PolarHBondContact O-N 3.48Å; F19-D21 VanDerWaalsContact O-N 3.09Å; F19-D22 PolarHBondContact O-N 3.13Å; F19-D22 VanDerWaalsContact O-N 3.16Å; F19-V23 WeakPolarHBondContact CD2-O 3.4Å; F19-V23 PolarHBondContact N-O 3.24Å; F19-A25 HydrophobicContact CE2-CB 4.18Å; F19-F142 AromaticContact CE2-CD2 3.99Å; F19-F142 HydrophobicContact CE2-CD2 3.99Å; F19-F142 AromaticContact CZ-CD2 3.55Å; F19-F142 HydrophobicContact CZ-CD2 3.55Å; F19-F142 AromaticContact CZ-CE2 3.89Å; F19-F142 HydrophobicContact CZ-CE2 3.89Å; F19-F142 HydrophobicContact CZ-CG 4.41Å; F19-K145 HydrophobicContact CD1-CB 4.12Å; F19-K145 HydrophobicContact CD2-CB 4.16Å; F19-K145 HydrophobicContact CD2-CG 4.3Å; F19-K145 HydrophobicContact CE1-CB 3.65Å; F19-K145 HydrophobicContact CE2-CB 3.7Å; F19-K145 HydrophobicContact CE2-CG 4.15Å; F19-K145 HydrophobicContact CG-CB 4.35Å; F19-K145 HydrophobicContact CZ-CB 3.42Å; F19-K145 VanDerWaalsContact CZ-CB 3.42Å; F19-K145 HydrophobicContact CZ-CG 4.35Å; F19-I279 HydrophobicContact CD1-CG1 4.14Å; F19-I279 HydrophobicContact CE1-CD1 4.11Å; F19-I279 HydrophobicContact CE1-CG1 4.02Å
20C77.9Confident88.3Confident84 Ų8458.6 Ų58.657%0.56830%0.298SS*.THydrogen-bonded Turntrans-59.5-20.4-179.7-59.50000114.9D22 Y278C20-D22 VanDerWaalsContact C-N 3.29Å; C20-Y278 VanDerWaalsContact SG-CA 3.55Å; C20-Y278 PolarHBondContact SG-O 3.42Å
21D78.4Confident88.6Confident80 Ų8052.8 Ų52.843%0.42827%0.272SS..THydrogen-bonded Turntrans-94.924.518060-8.3000112.9F19 V23 K145F19-D21 VanDerWaalsContact CB-OD1 3.25Å; F19-D21 WeakPolarHBondContact CB-OD1 3.49Å; F19-D21 PolarHBondContact O-N 3.48Å; F19-D21 VanDerWaalsContact O-N 3.09Å; D21-V23 PolarHBondContact O-N 3.29Å; D21-V23 WeakPolarHBondContact OD1-CB 3.38Å; D21-V23 WeakPolarHBondContact OD1-CG2 3.38Å; D21-K145 IonicContact OD1-NZ 3.48Å; D21-K145 IonicContact OD2-NZ 2.75Å; D21-K145 PolarHBondContact OD2-NZ 3.41Å
22D78Confident88.7Confident115 Ų11545.8 Ų45.862%0.61524%0.241SC*.SBendtrans61.34.7-178.5-64.3-50.8000115.7K18 F19 C20 A24K18-D22 WeakPolarHBondContact CE-OD1 3.44Å; K18-D22 IonicContact NZ-OD1 3.25Å; K18-D22 PolarHBondContact NZ-OD1 3.44Å; F19-D22 PolarHBondContact O-N 3.13Å; F19-D22 VanDerWaalsContact O-N 3.16Å; C20-D22 VanDerWaalsContact C-N 3.29Å; D22-A24 PolarHBondContact O-N 3.07Å
23V80.1Confident88.8Confident32 Ų3247.6 Ų47.619%0.19425%0.253CS..  trans-70.2119.5172.6178.80000108.8F19 D21 F210F19-V23 WeakPolarHBondContact CD2-O 3.4Å; F19-V23 PolarHBondContact N-O 3.24Å; D21-V23 PolarHBondContact O-N 3.29Å; D21-V23 WeakPolarHBondContact OD1-CB 3.38Å; D21-V23 WeakPolarHBondContact OD1-CG2 3.38Å; V23-F210 HydrophobicContact CG1-CD1 3.85Å; V23-F210 HydrophobicContact CG1-CE1 3.35Å; V23-F210 HydrophobicContact CG1-CE2 4.45Å; V23-F210 HydrophobicContact CG1-CZ 3.79Å
24A83.7Confident88.8Confident46 Ų4644.1 Ų44.138%0.3823%0.232SC..EExtended strand (participates in β ladder)trans-94.1139.8171.800000110.3C17 D22C17-A24 WeakPolarHBondContact O-CA 3.33Å; D22-A24 PolarHBondContact O-N 3.07Å
25A84.5Confident88.8Confident1 Ų143 Ų431%0.00823%0.226CC..EExtended strand (participates in β ladder)trans-132.9155.7170.800000110.4C17 F19 F142C17-A25 PolarHBondContact N-O 3.03Å; C17-A25 PolarHBondContact O-N 3.37Å; C17-A25 PolarHBondContact SG-O 3.01Å; F19-A25 HydrophobicContact CE2-CB 4.18Å; A25-F142 HydrophobicContact CB-CB 4.02Å
26Y91Very high88.7Confident75 Ų7542.3 Ų42.329%0.29422%0.223SC..EExtended strand (participates in β ladder)trans-111.5109.4174.3-164.3-127.5000110.6F14 V15 H16 L135 E138F14-Y26 HydrophobicContact CB-CD1 3.79Å; F14-Y26 HydrophobicContact CB-CD2 4.1Å; F14-Y26 HydrophobicContact CB-CE1 3.23Å; F14-Y26 HydrophobicContact CB-CE2 3.59Å; F14-Y26 HydrophobicContact CB-CG 4.2Å; F14-Y26 WeakPolarHBondContact CB-OH 3.48Å; F14-Y26 AromaticContact CD1-CD1 3.63Å; F14-Y26 HydrophobicContact CD1-CD1 3.63Å; F14-Y26 AromaticContact CD1-CE1 3.89Å; F14-Y26 HydrophobicContact CD1-CE1 3.89Å; F14-Y26 HydrophobicContact CD1-CG 4.08Å; F14-Y26 WeakPolarHBondContact CD1-O 3.45Å; F14-Y26 HydrophobicContact CG-CD1 4Å; F14-Y26 AromaticContact CG-CE1 3.76Å; F14-Y26 HydrophobicContact CG-CE1 3.76Å; F14-Y26 WeakPolarHBondContact O-CE2 3.4Å; F14-Y26 PolarHBondContact O-OH 3.44Å; V15-Y26 VanDerWaalsContact C-CD2 3.45Å; V15-Y26 WeakPolarHBondContact O-CD2 3.44Å; H16-Y26 AromaticContact CD2-CD2 3.96Å; H16-Y26 AromaticContact CD2-CE2 3.97Å; H16-Y26 AromaticContact CE1-CD2 3.38Å; H16-Y26 WeakPolarHBondContact CE1-CD2 3.32Å; H16-Y26 AromaticContact CE1-CE2 3.95Å; H16-Y26 AromaticContact CE1-CG 3.87Å; H16-Y26 AromaticContact CG-CD2 3.8Å; H16-Y26 AromaticContact ND1-CD2 3.46Å; H16-Y26 WeakPolarHBondContact ND1-CD2 3.47Å; H16-Y26 AromaticContact NE2-CD2 3.75Å; H16-Y26 AromaticContact NE2-CE2 3.84Å; Y26-L135 HydrophobicContact CD1-CD2 4.19Å; Y26-L135 HydrophobicContact CE1-CD2 4.36Å; Y26-E138 PolarHBondContact N-OE2 2.84Å; Y26-E138 CarbonylContact O-C 3.05Å; Y26-E138 WeakPolarHBondContact O-CB 3.41Å
27A93.1Very high88.7Confident0 Ų042.5 Ų42.50%023%0.226CC..EExtended strand (participates in β ladder)trans-132.1158.6-172.300000112.2F14 V15 E29 V32 F142F14-A27 WeakPolarHBondContact CA-O 3.26Å; V15-A27 PolarHBondContact N-O 3.34Å; V15-A27 PolarHBondContact O-N 2.96Å; A27-E29 PolarHBondContact O-N 2.92Å; A27-V32 HydrophobicContact CB-CG2 3.79Å; A27-F142 HydrophobicContact CB-CB 3.67Å; A27-F142 HydrophobicContact CB-CD1 3.71Å; A27-F142 HydrophobicContact CB-CD2 3.96Å; A27-F142 HydrophobicContact CB-CE1 4.39Å; A27-F142 HydrophobicContact CB-CG 3.47Å; A27-F142 VanDerWaalsContact CB-CG 3.47Å
28P95.9Very high89Confident1 Ų142.5 Ų42.51%0.00623%0.226CC..EExtended strand (participates in β ladder)trans-53.3129.9173-26.534.6000111.2L9 L12 P13 F14 Y30 L31 V32 F88 T139L9-P28 HydrophobicContact CD1-CG 3.85Å; L12-P28 HydrophobicContact CD1-CB 4.38Å; L12-P28 HydrophobicContact CD1-CG 4.42Å; P13-P28 CarbonylContact O-C 3.53Å; P13-P28 VanDerWaalsContact O-CA 3.3Å; P13-P28 WeakPolarHBondContact O-CA 2.92Å; F14-P28 HydrophobicContact CE1-CG 4.02Å; F14-P28 HydrophobicContact CE2-CG 4.14Å; F14-P28 HydrophobicContact CZ-CG 3.76Å; P28-Y30 PolarHBondContact O-N 2.66Å; P28-Y30 VanDerWaalsContact O-N 3.12Å; P28-L31 HydrophobicContact CB-CD1 4.44Å; P28-L31 HydrophobicContact CB-CG 4.4Å; P28-L31 HydrophobicContact CG-CD1 4.15Å; P28-L31 WeakPolarHBondContact O-CB 3.17Å; P28-L31 PolarHBondContact O-N 3.16Å; P28-V32 PolarHBondContact O-N 2.86Å; P28-V32 VanDerWaalsContact O-N 3.11Å; P28-F88 HydrophobicContact CB-CZ 4.06Å; P28-F88 HydrophobicContact CG-CZ 4.22Å; P28-T139 HydrophobicContact CG-CG2 4.47Å
29E94.7Very high89.1Confident94 Ų9438.8 Ų38.844%0.43921%0.21SC..Hα-helixtrans-50.9-42.3-176.8-174.8177.6-171.600111.9P13 V15 A27 L31 V32 V33P13-E29 HydrophobicContact CB-CB 4.38Å; P13-E29 HydrophobicContact CG-CB 4.26Å; P13-E29 PolarHBondContact O-N 2.8Å; V15-E29 HydrophobicContact CG1-CB 3.88Å; V15-E29 HydrophobicContact CG1-CG 3.89Å; V15-E29 HydrophobicContact CG2-CB 4.32Å; V15-E29 HydrophobicContact CG2-CG 4.48Å; A27-E29 PolarHBondContact O-N 2.92Å; E29-L31 VanDerWaalsContact C-N 3.33Å; E29-L31 PolarHBondContact O-N 2.9Å; E29-V32 PolarHBondContact O-N 3.31Å; E29-V32 VanDerWaalsContact O-N 3.16Å; E29-V33 HydrophobicContact CG-CG2 4.32Å; E29-V33 WeakPolarHBondContact O-CG2 3.43Å; E29-V33 PolarHBondContact O-N 3.47Å
30Y94.2Very high89.4Confident98 Ų9841.1 Ų41.138%0.38422%0.223SC..Hα-helixtrans-53.7-46.9175.9179.6-95.6000113P28 A34 K84 F88P28-Y30 PolarHBondContact O-N 2.66Å; P28-Y30 VanDerWaalsContact O-N 3.12Å; Y30-A34 VanDerWaalsContact O-CB 3.28Å; Y30-A34 WeakPolarHBondContact O-CB 3.27Å; Y30-A34 PolarHBondContact O-N 3.03Å; Y30-K84 WeakPolarHBondContact OH-CB 3.31Å; Y30-F88 HydrophobicContact CD1-CB 4.1Å; Y30-F88 HydrophobicContact CD1-CD1 4.39Å; Y30-F88 AromaticContact CD1-CD2 3.71Å; Y30-F88 HydrophobicContact CD1-CD2 3.71Å; Y30-F88 HydrophobicContact CD1-CE2 4.24Å; Y30-F88 AromaticContact CD1-CG 3.79Å; Y30-F88 HydrophobicContact CD1-CG 3.79Å; Y30-F88 HydrophobicContact CE1-CB 3.75Å; Y30-F88 HydrophobicContact CE1-CD2 4.18Å; Y30-F88 AromaticContact CE1-CG 3.98Å; Y30-F88 HydrophobicContact CE1-CG 3.98Å; Y30-F88 HydrophobicContact CG-CD2 4.39Å
31L96.1Very high89.9Confident0 Ų044.3 Ų44.30%022%0.224CC..Hα-helixtrans-67.3-42.6178.6-73.9-178.8000110.7P28 E29 A34 F35 I85 F88 T139 F142 L143P28-L31 HydrophobicContact CB-CD1 4.44Å; P28-L31 HydrophobicContact CB-CG 4.4Å; P28-L31 HydrophobicContact CG-CD1 4.15Å; P28-L31 WeakPolarHBondContact O-CB 3.17Å; P28-L31 PolarHBondContact O-N 3.16Å; E29-L31 VanDerWaalsContact C-N 3.33Å; E29-L31 PolarHBondContact O-N 2.9Å; L31-A34 PolarHBondContact O-N 3.3Å; L31-F35 HydrophobicContact CD2-CE2 4.47Å; L31-F35 WeakPolarHBondContact O-CB 3.41Å; L31-F35 WeakPolarHBondContact O-CD2 3.44Å; L31-F35 PolarHBondContact O-N 2.93Å; L31-I85 HydrophobicContact CD2-CG2 4.03Å; L31-F88 HydrophobicContact CD1-CD1 4.25Å; L31-F88 HydrophobicContact CD1-CE1 3.68Å; L31-F88 HydrophobicContact CD2-CD1 3.66Å; L31-F88 HydrophobicContact CD2-CE1 3.91Å; L31-F88 HydrophobicContact CD2-CG 4.5Å; L31-F88 HydrophobicContact CG-CD1 3.93Å; L31-F88 HydrophobicContact CG-CE1 3.64Å; L31-F88 HydrophobicContact CG-CZ 4.34Å; L31-T139 HydrophobicContact CD1-CG2 3.91Å; L31-F142 HydrophobicContact CB-CD1 4.44Å; L31-F142 HydrophobicContact CB-CE1 3.9Å; L31-L143 HydrophobicContact CD1-CD2 4.21Å
32V94.8Very high90.4Very high1 Ų142.3 Ų42.31%0.00621%0.211CC..Hα-helixtrans-59.3-51.8178.7-179.90000110.5V15 C17 A27 P28 E29 A34 F35 T36 F142 I279 S281V15-V32 HydrophobicContact CG2-CB 3.86Å; V15-V32 HydrophobicContact CG2-CG1 4.09Å; V15-V32 HydrophobicContact CG2-CG2 3.63Å; C17-V32 HydrophobicContact CB-CG1 4.06Å; C17-V32 HydrophobicContact CB-CG2 4.31Å; A27-V32 HydrophobicContact CB-CG2 3.79Å; P28-V32 PolarHBondContact O-N 2.86Å; P28-V32 VanDerWaalsContact O-N 3.11Å; E29-V32 PolarHBondContact O-N 3.31Å; E29-V32 VanDerWaalsContact O-N 3.16Å; V32-A34 VanDerWaalsContact C-N 3.35Å; V32-A34 PolarHBondContact O-N 3.01Å; V32-F35 PolarHBondContact O-N 3.3Å; V32-T36 WeakPolarHBondContact O-CB 3.38Å; V32-T36 PolarHBondContact O-N 3.46Å; V32-T36 PolarHBondContact O-OG1 3.29Å; V32-F142 HydrophobicContact CB-CZ 4.38Å; V32-F142 HydrophobicContact CG2-CD2 4.47Å; V32-F142 HydrophobicContact CG2-CE2 3.95Å; V32-F142 HydrophobicContact CG2-CZ 3.99Å; V32-I279 HydrophobicContact CG1-CG2 4.34Å; V32-S281 VanDerWaalsContact CG1-OG 3.27Å; V32-S281 WeakPolarHBondContact CG1-OG 3.25Å
33V93.6Very high91.1Very high74 Ų7437.3 Ų37.345%0.44818%0.184SC..Hα-helixtrans-59.5-44.4178173.80000111.8E29 N37E29-V33 HydrophobicContact CG-CG2 4.32Å; E29-V33 WeakPolarHBondContact O-CG2 3.43Å; E29-V33 PolarHBondContact O-N 3.47Å; V33-N37 WeakPolarHBondContact O-CB 3.25Å; V33-N37 VanDerWaalsContact O-CG 3.32Å; V33-N37 PolarHBondContact O-N 3.45Å; V33-N37 PolarHBondContact O-ND2 3.1Å
34A94.4Very high91.7Very high7 Ų740.1 Ų40.16%0.05820%0.198CC..Hα-helixtrans-64.3-43.3-179.200000112.2Y30 L31 V32 L38 T81 I85Y30-A34 VanDerWaalsContact O-CB 3.28Å; Y30-A34 WeakPolarHBondContact O-CB 3.27Å; Y30-A34 PolarHBondContact O-N 3.03Å; L31-A34 PolarHBondContact O-N 3.3Å; V32-A34 VanDerWaalsContact C-N 3.35Å; V32-A34 PolarHBondContact O-N 3.01Å; A34-L38 WeakPolarHBondContact O-CG 3.44Å; A34-L38 PolarHBondContact O-N 2.98Å; A34-T81 HydrophobicContact CB-CG2 4.25Å; A34-I85 HydrophobicContact CB-CD1 3.88Å; A34-I85 HydrophobicContact CB-CG1 3.76Å
35F94.4Very high92Very high0 Ų038.8 Ų38.80%019%0.185CC..Hα-helixtrans-73.3-38178.3-86.9-80.1000112.8L31 V32 N37 L38 T39 F49 I85 F142 L143 S146 F147 I279L31-F35 HydrophobicContact CD2-CE2 4.47Å; L31-F35 WeakPolarHBondContact O-CB 3.41Å; L31-F35 WeakPolarHBondContact O-CD2 3.44Å; L31-F35 PolarHBondContact O-N 2.93Å; V32-F35 PolarHBondContact O-N 3.3Å; F35-N37 VanDerWaalsContact C-N 3.31Å; F35-N37 PolarHBondContact O-N 3.11Å; F35-L38 HydrophobicContact CD1-CD1 4.46Å; F35-L38 CarbonylContact O-C 3.6Å; F35-L38 PolarHBondContact O-N 2.72Å; F35-L38 VanDerWaalsContact O-N 3.14Å; F35-T39 WeakPolarHBondContact O-CG2 3.31Å; F35-T39 PolarHBondContact O-N 3.3Å; F35-T39 PolarHBondContact O-OG1 3.03Å; F35-T39 VanDerWaalsContact O-OG1 3.11Å; F35-F49 HydrophobicContact CE1-CE2 4.29Å; F35-F49 AromaticContact CE1-CZ 3.78Å; F35-F49 HydrophobicContact CE1-CZ 3.78Å; F35-F49 AromaticContact CZ-CZ 3.88Å; F35-F49 HydrophobicContact CZ-CZ 3.88Å; F35-I85 HydrophobicContact CD2-CD1 4.1Å; F35-I85 HydrophobicContact CE2-CD1 3.9Å; F35-I85 HydrophobicContact CE2-CG1 4.49Å; F35-I85 HydrophobicContact CE2-CG2 3.96Å; F35-I85 HydrophobicContact CZ-CD1 4.17Å; F35-I85 HydrophobicContact CZ-CG2 4.29Å; F35-F142 HydrophobicContact CB-CE1 4.35Å; F35-F142 HydrophobicContact CB-CZ 3.87Å; F35-F142 AromaticContact CD2-CE1 3.68Å; F35-F142 HydrophobicContact CD2-CE1 3.68Å; F35-F142 HydrophobicContact CD2-CZ 4.1Å; F35-F142 HydrophobicContact CE2-CE1 4.31Å; F35-F142 HydrophobicContact CG-CE1 4.23Å; F35-F142 HydrophobicContact CG-CZ 4.23Å; F35-L143 HydrophobicContact CE2-CD2 3.62Å; F35-L143 HydrophobicContact CZ-CD2 4.02Å; F35-S146 VanDerWaalsContact CD1-CB 3.44Å; F35-F147 HydrophobicContact CE1-CD1 4.16Å; F35-F147 AromaticContact CE1-CE1 3.98Å; F35-F147 HydrophobicContact CE1-CE1 3.98Å; F35-F147 HydrophobicContact CZ-CD1 4.15Å; F35-F147 AromaticContact CZ-CE1 3.54Å; F35-F147 HydrophobicContact CZ-CE1 3.54Å; F35-F147 HydrophobicContact CZ-CZ 4.08Å; F35-I279 HydrophobicContact CB-CD1 4.18Å
36T91.6Very high92.3Very high23 Ų2344.2 Ų44.214%0.14121%0.208CC..Hα-helixtrans-57.1-46.2172.2-62.40000110.7V32 L38 T39 D40V32-T36 WeakPolarHBondContact O-CB 3.38Å; V32-T36 PolarHBondContact O-N 3.46Å; V32-T36 PolarHBondContact O-OG1 3.29Å; T36-L38 VanDerWaalsContact C-N 3.33Å; T36-L38 PolarHBondContact O-N 2.89Å; T36-T39 WeakPolarHBondContact CA-OG1 3.49Å; T36-T39 PolarHBondContact O-N 3.36Å; T36-T39 PolarHBondContact O-OG1 3.13Å; T36-D40 VanDerWaalsContact CG2-OD2 3.29Å; T36-D40 WeakPolarHBondContact CG2-OD2 3.48Å; T36-D40 VanDerWaalsContact O-CB 3.27Å; T36-D40 WeakPolarHBondContact O-CB 3.28Å; T36-D40 PolarHBondContact O-N 3.42Å
37N89.9Confident92.3Very high67 Ų6743 Ų4336%0.35821%0.207SC..Hα-helixtrans-61.7-41.7175.8-73.4-26.1000112.3V33 F35 Y41 Y42V33-N37 WeakPolarHBondContact O-CB 3.25Å; V33-N37 VanDerWaalsContact O-CG 3.32Å; V33-N37 PolarHBondContact O-N 3.45Å; V33-N37 PolarHBondContact O-ND2 3.1Å; F35-N37 VanDerWaalsContact C-N 3.31Å; F35-N37 PolarHBondContact O-N 3.11Å; N37-Y41 WeakPolarHBondContact O-CD2 3.47Å; N37-Y41 PolarHBondContact O-N 3.19Å; N37-Y41 VanDerWaalsContact O-N 3.14Å; N37-Y42 VanDerWaalsContact O-CD2 3.26Å; N37-Y42 WeakPolarHBondContact O-CD2 3.45Å
38L92.7Very high92.1Very high1 Ų143.1 Ų43.11%0.00521%0.208CC..Iπ-helixtrans-63.5-43.3176.1-76.3175.8000112.2A34 F35 T36 Y42 I43 L48 F49 A78 T81 I85A34-L38 WeakPolarHBondContact O-CG 3.44Å; A34-L38 PolarHBondContact O-N 2.98Å; F35-L38 HydrophobicContact CD1-CD1 4.46Å; F35-L38 CarbonylContact O-C 3.6Å; F35-L38 PolarHBondContact O-N 2.72Å; F35-L38 VanDerWaalsContact O-N 3.14Å; T36-L38 VanDerWaalsContact C-N 3.33Å; T36-L38 PolarHBondContact O-N 2.89Å; L38-Y42 HydrophobicContact CD2-CD2 4.32Å; L38-Y42 CarbonylContact O-C 3.19Å; L38-Y42 WeakPolarHBondContact O-CA 3.19Å; L38-Y42 PolarHBondContact O-N 3.16Å; L38-I43 WeakPolarHBondContact O-CA 3.25Å; L38-I43 PolarHBondContact O-N 3.3Å; L38-L48 HydrophobicContact CD2-CD2 4.15Å; L38-F49 HydrophobicContact CD1-CE2 4.16Å; L38-F49 HydrophobicContact CD1-CZ 3.74Å; L38-A78 HydrophobicContact CD2-CB 4.41Å; L38-T81 HydrophobicContact CD1-CG2 4.17Å; L38-T81 HydrophobicContact CD2-CG2 4.04Å; L38-T81 HydrophobicContact CG-CG2 3.83Å; L38-I85 HydrophobicContact CD1-CD1 3.48Å; L38-I85 VanDerWaalsContact CD1-CD1 3.48Å
39T89.6Confident91.9Very high3 Ų344 Ų442%0.01821%0.212CC..Iπ-helixtrans-72-40.1-177.754.20000112.3F35 T36 I43 L149 I279F35-T39 WeakPolarHBondContact O-CG2 3.31Å; F35-T39 PolarHBondContact O-N 3.3Å; F35-T39 PolarHBondContact O-OG1 3.03Å; F35-T39 VanDerWaalsContact O-OG1 3.11Å; T36-T39 WeakPolarHBondContact CA-OG1 3.49Å; T36-T39 PolarHBondContact O-N 3.36Å; T36-T39 PolarHBondContact O-OG1 3.13Å; T39-I43 HydrophobicContact CG2-CD1 4.44Å; T39-I43 WeakPolarHBondContact O-CB 3.18Å; T39-L149 HydrophobicContact CG2-CD2 3.52Å; T39-L149 HydrophobicContact CG2-CG 4.45Å; T39-I279 HydrophobicContact CG2-CD1 4.23Å
40D88.1Confident91.6Very high61 Ų6141.5 Ų41.533%0.32620%0.201SC..Iπ-helixtrans-79.9-35.9-172.3-66.1-2.4000111.6T36T36-D40 VanDerWaalsContact CG2-OD2 3.29Å; T36-D40 WeakPolarHBondContact CG2-OD2 3.48Å; T36-D40 VanDerWaalsContact O-CB 3.27Å; T36-D40 WeakPolarHBondContact O-CB 3.28Å; T36-D40 PolarHBondContact O-N 3.42Å
41Y88.3Confident91.1Very high151 Ų15138.6 Ų38.659%0.59220%0.197SC*.Iπ-helixtrans-115.5-28.4-172.8-56.3-70.9000114.5N37N37-Y41 WeakPolarHBondContact O-CD2 3.47Å; N37-Y41 PolarHBondContact O-N 3.19Å; N37-Y41 VanDerWaalsContact O-N 3.14Å
42Y90.7Very high90Very high38 Ų3847.2 Ų47.215%0.14923%0.234CC..Iπ-helixtrans-122.94.2-164.5-54.6-63.9000114.7N37 L38 N44 T45 Q74 I77 A78N37-Y42 VanDerWaalsContact O-CD2 3.26Å; N37-Y42 WeakPolarHBondContact O-CD2 3.45Å; L38-Y42 HydrophobicContact CD2-CD2 4.32Å; L38-Y42 CarbonylContact O-C 3.19Å; L38-Y42 WeakPolarHBondContact O-CA 3.19Å; L38-Y42 PolarHBondContact O-N 3.16Å; Y42-N44 PolarHBondContact O-N 2.94Å; Y42-T45 WeakPolarHBondContact O-CB 3.39Å; Y42-T45 PolarHBondContact O-N 2.92Å; Y42-T45 PolarHBondContact O-OG1 3.25Å; Y42-Q74 HydrophobicContact CD1-CB 4.22Å; Y42-Q74 HydrophobicContact CE1-CB 4.02Å; Y42-Q74 HydrophobicContact CE1-CG 4.12Å; Y42-I77 HydrophobicContact CE1-CB 4.42Å; Y42-I77 HydrophobicContact CE1-CG2 4.31Å; Y42-I77 HydrophobicContact CE2-CG2 4.05Å; Y42-I77 WeakPolarHBondContact OH-CG2 3.42Å; Y42-A78 HydrophobicContact CD1-CB 4.02Å; Y42-A78 HydrophobicContact CG-CB 3.85Å
43I92Very high88.6Confident11 Ų1150.4 Ų50.46%0.05626%0.255CS..THydrogen-bonded Turntrans-60.1-27.6-169.7-164.859.9000113.8L38 T39 V150 F153 N157L38-I43 WeakPolarHBondContact O-CA 3.25Å; L38-I43 PolarHBondContact O-N 3.3Å; T39-I43 HydrophobicContact CG2-CD1 4.44Å; T39-I43 WeakPolarHBondContact O-CB 3.18Å; I43-V150 HydrophobicContact CD1-CB 4.35Å; I43-V150 HydrophobicContact CD1-CG2 3.86Å; I43-F153 HydrophobicContact CD1-CD2 4.21Å; I43-F153 HydrophobicContact CG1-CB 4.11Å; I43-F153 HydrophobicContact CG1-CD1 4.34Å; I43-F153 HydrophobicContact CG1-CD2 3.51Å; I43-F153 HydrophobicContact CG1-CE2 3.97Å; I43-F153 HydrophobicContact CG1-CG 3.73Å; I43-F153 HydrophobicContact CG2-CD1 4.39Å; I43-F153 HydrophobicContact CG2-CE1 4.44Å; I43-N157 WeakPolarHBondContact O-CB 3.33Å; I43-N157 PolarHBondContact O-ND2 2.92Å
44N91.8Very high87.1Confident91 Ų9154.1 Ų54.149%0.48727%0.273SS..THydrogen-bonded Turntrans-89.5-2.8178.7-67.8-45.8000113.7Y42 K46 T156Y42-N44 PolarHBondContact O-N 2.94Å; N44-K46 PolarHBondContact O-N 3.37Å; N44-T156 WeakPolarHBondContact OD1-CB 3.32Å; N44-T156 PolarHBondContact OD1-OG1 2.99Å
45T90.7Very high85.5Confident17 Ų1762.5 Ų62.510%0.10430%0.303CS..SBendtrans-63.2133.3178-56.20000109.7Y42 L48 A78 N157Y42-T45 WeakPolarHBondContact O-CB 3.39Å; Y42-T45 PolarHBondContact O-N 2.92Å; Y42-T45 PolarHBondContact O-OG1 3.25Å; T45-L48 HydrophobicContact CG2-CD2 4.33Å; T45-A78 HydrophobicContact CG2-CB 3.91Å; T45-N157 WeakPolarHBondContact O-CB 3.44Å
46K91.3Very high83.9Confident115 Ų11565.1 Ų65.150%0.532%0.321SS..THydrogen-bonded Turntrans-65.9139.5-179.4-67.2175-175.9167.50111.2N44 L48 N157N44-K46 PolarHBondContact O-N 3.37Å; K46-L48 VanDerWaalsContact C-N 3.33Å; K46-L48 PolarHBondContact O-N 3.44Å; K46-N157 CarbonylContact C-O 3.54Å; K46-N157 WeakPolarHBondContact CA-O 3.24Å
47D89.6Confident82.4Confident51 Ų5165.3 Ų65.327%0.27332%0.322SS..THydrogen-bonded Turntrans60.535.2169.5-56.8-56.3000114F49 I50 A51 N157D47-F49 PolarHBondContact O-N 2.97Å; D47-I50 HydrophobicContact CB-CB 4.21Å; D47-I50 WeakPolarHBondContact O-CA 3.33Å; D47-I50 PolarHBondContact O-N 2.92Å; D47-A51 HydrophobicContact CB-CB 4.2Å; D47-A51 WeakPolarHBondContact O-CB 3.39Å; D47-A51 PolarHBondContact O-N 3.24Å; D47-N157 PolarHBondContact N-O 3.44Å
48L90.5Very high80.8Confident2 Ų266.9 Ų66.91%0.0134%0.337CS..THydrogen-bonded Turntrans-46.7135.3169.7-69.6173.2000111L38 T45 K46 I50 A78 V150 V159L38-L48 HydrophobicContact CD2-CD2 4.15Å; T45-L48 HydrophobicContact CG2-CD2 4.33Å; K46-L48 VanDerWaalsContact C-N 3.33Å; K46-L48 PolarHBondContact O-N 3.44Å; L48-I50 PolarHBondContact O-N 3.29Å; L48-A78 HydrophobicContact CD2-CB 3.87Å; L48-V150 HydrophobicContact CD1-CG1 4.26Å; L48-V159 HydrophobicContact CB-CG2 4.12Å; L48-V159 WeakPolarHBondContact O-CG2 3.43Å
49F90.8Very high79.7Confident20 Ų2070.7 Ų70.79%0.08836%0.358CS..THydrogen-bonded Turntrans60.7-2.8-174.6-56.8-86.2000116.5F35 L38 D47 C82 I85 F147 V150 L164 M168F35-F49 HydrophobicContact CE1-CE2 4.29Å; F35-F49 AromaticContact CE1-CZ 3.78Å; F35-F49 HydrophobicContact CE1-CZ 3.78Å; F35-F49 AromaticContact CZ-CZ 3.88Å; F35-F49 HydrophobicContact CZ-CZ 3.88Å; L38-F49 HydrophobicContact CD1-CE2 4.16Å; L38-F49 HydrophobicContact CD1-CZ 3.74Å; D47-F49 PolarHBondContact O-N 2.97Å; F49-C82 HydrophobicContact CD1-CB 3.68Å; F49-C82 HydrophobicContact CE1-CB 3.89Å; F49-C82 HydrophobicContact CG-CB 4.08Å; F49-C82 HydrophobicContact CZ-CB 4.45Å; F49-C82 PolarHBondContact N-SG 2.95Å; F49-C82 VanDerWaalsContact N-SG 3.43Å; F49-I85 HydrophobicContact CE1-CB 4.28Å; F49-I85 HydrophobicContact CE1-CD1 4.06Å; F49-I85 HydrophobicContact CE1-CG2 4.14Å; F49-I85 HydrophobicContact CZ-CD1 3.99Å; F49-F147 HydrophobicContact CE1-CE1 4.44Å; F49-F147 HydrophobicContact CZ-CE1 4.24Å; F49-V150 HydrophobicContact CE2-CG2 4.47Å; F49-L164 HydrophobicContact CB-CD1 3.72Å; F49-L164 HydrophobicContact CD2-CD1 3.78Å; F49-L164 HydrophobicContact CG-CD1 3.9Å; F49-M168 HydrophobicContact CB-SD 4.3Å; F49-M168 HydrophobicContact CD1-CE 4.33Å; F49-M168 HydrophobicContact CD1-SD 3.71Å; F49-M168 HydrophobicContact CE1-CE 4.45Å; F49-M168 HydrophobicContact CE1-SD 4.38Å; F49-M168 HydrophobicContact CG-SD 4.23Å
50I88.9Confident78.6Confident40 Ų4078.2 Ų78.221%0.20539%0.39CS..THydrogen-bonded Turntrans-111-36.6-178.6-57.4164.3000110.5D47 L48 K52 V159 K163 Q167D47-I50 HydrophobicContact CB-CB 4.21Å; D47-I50 WeakPolarHBondContact O-CA 3.33Å; D47-I50 PolarHBondContact O-N 2.92Å; L48-I50 PolarHBondContact O-N 3.29Å; I50-K52 PolarHBondContact O-N 3.48Å; I50-V159 HydrophobicContact CD1-CB 4.41Å; I50-V159 HydrophobicContact CD1-CG1 4.13Å; I50-V159 HydrophobicContact CD1-CG2 4.01Å; I50-K163 HydrophobicContact CD1-CB 3.63Å; I50-K163 HydrophobicContact CD1-CD 3.84Å; I50-K163 HydrophobicContact CD1-CG 4.37Å; I50-K163 HydrophobicContact CG1-CB 4.48Å; I50-Q167 HydrophobicContact CG1-CG 3.97Å
51A82.2Confident77.9Confident37 Ų3783.1 Ų83.131%0.30640%0.404SS..SBendtrans-58.3126.117900000109.9D47 T79D47-A51 HydrophobicContact CB-CB 4.2Å; D47-A51 WeakPolarHBondContact O-CB 3.39Å; D47-A51 PolarHBondContact O-N 3.24Å; A51-T79 HydrophobicContact CB-CG2 4.22Å
52K74.6Confident77.1Confident181 Ų18178 Ų7879%0.78738%0.384SS*.  trans-76136.2168.1-67.1-175.5179-177.70107.8I50 N54I50-K52 PolarHBondContact O-N 3.48Å; K52-N54 PolarHBondContact O-N 3.37Å
53P64.8Low76.1Confident69 Ų6978.6 Ų78.645%0.44839%0.392SS..  trans-61.9111.2174.925.3-32.4000108.7R55 T79P53-R55 PolarHBondContact O-N 2.89Å; P53-T79 HydrophobicContact CB-CG2 4.18Å
54N62Low75.2Confident152 Ų15281.2 Ų81.281%0.81341%0.41SS*.SBendtrans-67.6-23.8177.2-82.4-20.5000111.8K52K52-N54 PolarHBondContact O-N 3.37Å
55R61Low74.3Confident183 Ų18384.8 Ų84.869%0.69142%0.417SS*.SBendtrans-167.6156.8170.9-85.3121.1-167.3-136.26.9109.2P53P53-R55 PolarHBondContact O-N 2.89Å
56S59.7Low73.3Confident55 Ų5586.2 Ų86.239%0.38542%0.422SS..  trans-67131.3173.4176.90000111.2C58 N59S56-C58 PolarHBondContact O-N 3.22Å; S56-C58 WeakPolarHBondContact OG-CB 3.39Å; S56-C58 PolarHBondContact OG-N 3.2Å; S56-N59 WeakPolarHBondContact O-CB 3.09Å; S56-N59 PolarHBondContact O-N 3Å
57V60Low72.3Confident26 Ų2683.9 Ų83.916%0.15842%0.42CS..THydrogen-bonded Turntrans-63.2-22.8173.7-1610000111.6N59 W62 V63 A76 I77 E80V57-N59 PolarHBondContact O-N 3.45Å; V57-N59 VanDerWaalsContact O-N 3.1Å; V57-W62 HydrophobicContact CG1-CZ3 4.44Å; V57-V63 WeakPolarHBondContact O-CG2 3.4Å; V57-A76 HydrophobicContact CG1-CB 4.39Å; V57-A76 HydrophobicContact CG2-CB 3.69Å; V57-A76 WeakPolarHBondContact CG2-O 3.27Å; V57-I77 HydrophobicContact CG1-CG1 4.01Å; V57-E80 HydrophobicContact CG2-CB 3.77Å; V57-E80 HydrophobicContact CG2-CG 4.34Å
58C58.1Low71.3Confident100 Ų10092.4 Ų92.468%0.67645%0.45SS*.THydrogen-bonded Turntrans-70.3-2.9177.3-540000112.9S56 F60S56-C58 PolarHBondContact O-N 3.22Å; S56-C58 WeakPolarHBondContact OG-CB 3.39Å; S56-C58 PolarHBondContact OG-N 3.2Å; C58-F60 PolarHBondContact O-N 3.48Å; C58-F60 VanDerWaalsContact O-N 3.11Å
59N68.1Low70.8Confident82 Ų8293.9 Ų93.944%0.43946%0.46SS..  trans-77.296.3171.1-168.5-28.2000109.4S56 V57 R61 W62 V63S56-N59 WeakPolarHBondContact O-CB 3.09Å; S56-N59 PolarHBondContact O-N 3Å; V57-N59 PolarHBondContact O-N 3.45Å; V57-N59 VanDerWaalsContact O-N 3.1Å; N59-R61 PolarHBondContact O-N 3.32Å; N59-R61 VanDerWaalsContact O-N 3.11Å; N59-R61 VanDerWaalsContact OD1-CB 3.23Å; N59-R61 WeakPolarHBondContact OD1-CB 3.33Å; N59-R61 PolarHBondContact OD1-N 3.41Å; N59-R61 VanDerWaalsContact OD1-N 3.15Å; N59-W62 HydrophobicContact CB-CB 3.95Å; N59-W62 WeakPolarHBondContact O-CA 3.37Å; N59-W62 VanDerWaalsContact O-CB 3.25Å; N59-W62 WeakPolarHBondContact O-CB 3.33Å; N59-W62 PolarHBondContact O-N 3.18Å; N59-W62 PolarHBondContact OD1-N 3.26Å; N59-V63 PolarHBondContact O-N 3.39Å; N59-V63 VanDerWaalsContact O-N 3.12Å
60F66.6Low70.2Confident161 Ų161100.2 Ų100.271%0.70649%0.485SS*.Hα-helixtrans-48.8-39.2177.1-175.8-102.7000112.4C58 W62 V63 C64C58-F60 PolarHBondContact O-N 3.48Å; C58-F60 VanDerWaalsContact O-N 3.11Å; F60-W62 VanDerWaalsContact C-N 3.25Å; F60-W62 PolarHBondContact O-N 3.04Å; F60-V63 PolarHBondContact O-N 3.18Å; F60-V63 VanDerWaalsContact O-N 3.16Å; F60-C64 WeakPolarHBondContact CE1-SG 3.35Å; F60-C64 VanDerWaalsContact CZ-SG 3.52Å; F60-C64 PolarHBondContact O-N 3.1Å; F60-C64 PolarHBondContact O-SG 3.18Å
61R73.6Confident69.8Low164 Ų164102.3 Ų102.362%0.61950%0.503SS*.Hα-helixtrans-63.4-30.9176.7-166.5179.4177.1173.81.7112.6N59 R65N59-R61 PolarHBondContact O-N 3.32Å; N59-R61 VanDerWaalsContact O-N 3.11Å; N59-R61 VanDerWaalsContact OD1-CB 3.23Å; N59-R61 WeakPolarHBondContact OD1-CB 3.33Å; N59-R61 PolarHBondContact OD1-N 3.41Å; N59-R61 VanDerWaalsContact OD1-N 3.15Å; R61-R65 WeakPolarHBondContact O-CB 3.31Å; R61-R65 VanDerWaalsContact O-CG 3.24Å; R61-R65 WeakPolarHBondContact O-CG 3.5Å; R61-R65 PolarHBondContact O-N 3.41Å
62W72.2Confident69.6Low42 Ų42104.9 Ų104.916%0.15951%0.509CS..Hα-helixtrans-72.8-45.6173.2-174.389.1000111V57 N59 F60 C64 R65 H66 E72 Q73 A76V57-W62 HydrophobicContact CG1-CZ3 4.44Å; N59-W62 HydrophobicContact CB-CB 3.95Å; N59-W62 WeakPolarHBondContact O-CA 3.37Å; N59-W62 VanDerWaalsContact O-CB 3.25Å; N59-W62 WeakPolarHBondContact O-CB 3.33Å; N59-W62 PolarHBondContact O-N 3.18Å; N59-W62 PolarHBondContact OD1-N 3.26Å; F60-W62 VanDerWaalsContact C-N 3.25Å; F60-W62 PolarHBondContact O-N 3.04Å; W62-C64 PolarHBondContact O-N 3.43Å; W62-R65 PolarHBondContact O-N 3.12Å; W62-R65 VanDerWaalsContact O-N 3.15Å; W62-H66 AromaticContact CD1-CE1 3.39Å; W62-H66 AromaticContact CD1-ND1 3.66Å; W62-H66 AromaticContact CD2-ND1 3.65Å; W62-H66 AromaticContact CE2-CE1 3.58Å; W62-H66 AromaticContact CE2-ND1 3.43Å; W62-H66 AromaticContact CG-CE1 3.99Å; W62-H66 AromaticContact CG-ND1 3.78Å; W62-H66 AromaticContact CZ2-ND1 3.94Å; W62-H66 AromaticContact NE1-CE1 3.11Å; W62-H66 PolarHBondContact NE1-CE1 2.97Å; W62-H66 AromaticContact NE1-ND1 3.44Å; W62-H66 PolarHBondContact NE1-ND1 2.91Å; W62-H66 AromaticContact NE1-NE2 3.8Å; W62-H66 PolarHBondContact O-N 3.03Å; W62-H66 VanDerWaalsContact O-N 3.12Å; W62-H66 PolarHBondContact O-ND1 3.05Å; W62-E72 HydrophobicContact CH2-CB 4.5Å; W62-Q73 HydrophobicContact CZ3-CG 4.45Å; W62-A76 HydrophobicContact CH2-CB 3.5Å; W62-A76 VanDerWaalsContact CH2-CB 3.5Å; W62-A76 HydrophobicContact CZ2-CB 4.29Å; W62-A76 HydrophobicContact CZ3-CB 3.84Å
63V69.4Low69.8Low52 Ų5298.1 Ų98.132%0.31548%0.48SS..Hα-helixtrans-58.7-48.3177.4178.70000110.9V57 N59 F60 R65 H66 S67V57-V63 WeakPolarHBondContact O-CG2 3.4Å; N59-V63 PolarHBondContact O-N 3.39Å; N59-V63 VanDerWaalsContact O-N 3.12Å; F60-V63 PolarHBondContact O-N 3.18Å; F60-V63 VanDerWaalsContact O-N 3.16Å; V63-R65 VanDerWaalsContact C-N 3.29Å; V63-R65 PolarHBondContact O-N 3.32Å; V63-H66 CarbonylContact O-C 3.39Å; V63-H66 PolarHBondContact O-N 3.36Å; V63-H66 VanDerWaalsContact O-N 3.12Å; V63-S67 PolarHBondContact O-N 3.2Å; V63-S67 VanDerWaalsContact O-N 3.08Å
64C73Confident70.7Confident66 Ų6697.2 Ų97.245%0.44647%0.47SS..Hα-helixtrans-61.4-35.6177.2-63.90000112.9F60 W62 H66 S67F60-C64 WeakPolarHBondContact CE1-SG 3.35Å; F60-C64 VanDerWaalsContact CZ-SG 3.52Å; F60-C64 PolarHBondContact O-N 3.1Å; F60-C64 PolarHBondContact O-SG 3.18Å; W62-C64 PolarHBondContact O-N 3.43Å; C64-H66 VanDerWaalsContact C-N 3.28Å; C64-H66 PolarHBondContact O-N 2.82Å; C64-S67 PolarHBondContact O-OG 3.06Å
65R73.1Confident71.8Confident165 Ų16592.1 Ų92.162%0.62345%0.446SS*.Hα-helixtrans-70.2-25177.5-83.1176.9172.7171.9-4.7113.5R61 W62 V63R61-R65 WeakPolarHBondContact O-CB 3.31Å; R61-R65 VanDerWaalsContact O-CG 3.24Å; R61-R65 WeakPolarHBondContact O-CG 3.5Å; R61-R65 PolarHBondContact O-N 3.41Å; W62-R65 PolarHBondContact O-N 3.12Å; W62-R65 VanDerWaalsContact O-N 3.15Å; V63-R65 VanDerWaalsContact C-N 3.29Å; V63-R65 PolarHBondContact O-N 3.32Å
66H69.6Low72.8Confident48 Ų4884.3 Ų84.322%0.22242%0.42CS..THydrogen-bonded Turntrans-11424.5-177.9-57.283.7000111.1W62 V63 C64 Y68 S69 E72 Q73W62-H66 AromaticContact CD1-CE1 3.39Å; W62-H66 AromaticContact CD1-ND1 3.66Å; W62-H66 AromaticContact CD2-ND1 3.65Å; W62-H66 AromaticContact CE2-CE1 3.58Å; W62-H66 AromaticContact CE2-ND1 3.43Å; W62-H66 AromaticContact CG-CE1 3.99Å; W62-H66 AromaticContact CG-ND1 3.78Å; W62-H66 AromaticContact CZ2-ND1 3.94Å; W62-H66 AromaticContact NE1-CE1 3.11Å; W62-H66 PolarHBondContact NE1-CE1 2.97Å; W62-H66 AromaticContact NE1-ND1 3.44Å; W62-H66 PolarHBondContact NE1-ND1 2.91Å; W62-H66 AromaticContact NE1-NE2 3.8Å; W62-H66 PolarHBondContact O-N 3.03Å; W62-H66 VanDerWaalsContact O-N 3.12Å; W62-H66 PolarHBondContact O-ND1 3.05Å; V63-H66 CarbonylContact O-C 3.39Å; V63-H66 PolarHBondContact O-N 3.36Å; V63-H66 VanDerWaalsContact O-N 3.12Å; C64-H66 VanDerWaalsContact C-N 3.28Å; C64-H66 PolarHBondContact O-N 2.82Å; H66-Y68 PolarHBondContact O-N 3.14Å; H66-Y68 VanDerWaalsContact O-N 3.12Å; H66-S69 PolarHBondContact O-N 3.02Å; H66-E72 IonicContact CD2-OE2 3.17Å; H66-E72 PolarHBondContact CD2-OE2 3.04Å; H66-Q73 PolarHBondContact O-NE2 3.42Å
67S69.4Low74.1Confident65 Ų6584.2 Ų84.246%0.45542%0.415SS..THydrogen-bonded Turntrans-52.7-35.4-179.855.40000112.5V63 C64 Q73V63-S67 PolarHBondContact O-N 3.2Å; V63-S67 VanDerWaalsContact O-N 3.08Å; C64-S67 PolarHBondContact O-OG 3.06Å; S67-Q73 VanDerWaalsContact CA-NE2 3.34Å
68Y68.6Low75.6Confident231 Ų23183 Ų8391%0.90641%0.408SS*.THydrogen-bonded Turntrans-88-7.7178.8-59.8-74.1000114.5H66 Y70H66-Y68 PolarHBondContact O-N 3.14Å; H66-Y68 VanDerWaalsContact O-N 3.12Å; Y68-Y70 PolarHBondContact O-N 3.43Å
69S79.7Confident77.1Confident32 Ų3279 Ų7922%0.22438%0.381CS..  trans-105.670.5-177.4-166.30000110.7H66 S71 E72 Q73H66-S69 PolarHBondContact O-N 3.02Å; S69-S71 PolarHBondContact O-N 3.09Å; S69-E72 WeakPolarHBondContact CB-OE2 3.36Å; S69-E72 PolarHBondContact O-N 3.44Å; S69-E72 VanDerWaalsContact O-N 3.08Å; S69-E72 WeakPolarHBondContact OG-CB 3.42Å; S69-E72 WeakPolarHBondContact OG-CG 3.24Å; S69-E72 PolarHBondContact OG-OE2 2.88Å; S69-Q73 PolarHBondContact O-N 3.09Å; S69-Q73 VanDerWaalsContact O-N 3.09Å
70Y79Confident78.1Confident153 Ų15375.8 Ų75.860%0.636%0.363SS*.Hα-helixtrans-52.7-41.4-178.7-177.1-105.8000112.6Y68 E72 Q73 Q74Y68-Y70 PolarHBondContact O-N 3.43Å; Y70-E72 PolarHBondContact O-N 3.33Å; Y70-Q73 PolarHBondContact O-N 3.09Å; Y70-Q74 HydrophobicContact CD1-CG 4.16Å; Y70-Q74 HydrophobicContact CE1-CG 3.79Å; Y70-Q74 HydrophobicContact CE2-CG 4.32Å; Y70-Q74 WeakPolarHBondContact O-CG 3.25Å; Y70-Q74 PolarHBondContact O-N 2.92Å; Y70-Q74 PolarHBondContact OH-NE2 2.95Å
71S79.9Confident79.3Confident84 Ų8469.1 Ų69.159%0.58734%0.335SS*.Hα-helixtrans-63.6-37.3179.3690000113.5S69 S75S69-S71 PolarHBondContact O-N 3.09Å; S71-S75 WeakPolarHBondContact O-CB 3.31Å; S71-S75 PolarHBondContact O-N 3.41Å
72E79.7Confident80.2Confident91 Ų9161.6 Ų61.643%0.42531%0.307SS..Hα-helixtrans-72.4-38.5177.1-71.6176.2150.100111W62 H66 S69 Y70 S75 A76W62-E72 HydrophobicContact CH2-CB 4.5Å; H66-E72 IonicContact CD2-OE2 3.17Å; H66-E72 PolarHBondContact CD2-OE2 3.04Å; S69-E72 WeakPolarHBondContact CB-OE2 3.36Å; S69-E72 PolarHBondContact O-N 3.44Å; S69-E72 VanDerWaalsContact O-N 3.08Å; S69-E72 WeakPolarHBondContact OG-CB 3.42Å; S69-E72 WeakPolarHBondContact OG-CG 3.24Å; S69-E72 PolarHBondContact OG-OE2 2.88Å; Y70-E72 PolarHBondContact O-N 3.33Å; E72-S75 PolarHBondContact O-N 2.99Å; E72-A76 VanDerWaalsContact O-CB 3.3Å; E72-A76 WeakPolarHBondContact O-CB 3.47Å; E72-A76 PolarHBondContact O-N 3.3Å
73Q78.1Confident81.2Confident40 Ų4064 Ų6419%0.18732%0.317CS..Hα-helixtrans-61.1-49.8173.9-66.4-177.211.600111.5W62 H66 S67 S69 Y70 S75 A76 I77W62-Q73 HydrophobicContact CZ3-CG 4.45Å; H66-Q73 PolarHBondContact O-NE2 3.42Å; S67-Q73 VanDerWaalsContact CA-NE2 3.34Å; S69-Q73 PolarHBondContact O-N 3.09Å; S69-Q73 VanDerWaalsContact O-N 3.09Å; Y70-Q73 PolarHBondContact O-N 3.09Å; Q73-S75 VanDerWaalsContact C-N 3.32Å; Q73-S75 PolarHBondContact O-N 3.38Å; Q73-A76 PolarHBondContact O-N 3.38Å; Q73-A76 VanDerWaalsContact O-N 3.16Å; Q73-I77 VanDerWaalsContact O-CG1 3.27Å; Q73-I77 WeakPolarHBondContact O-CG1 3.41Å; Q73-I77 PolarHBondContact O-N 3.11Å
74Q82.9Confident82.3Confident50 Ų5066 Ų6623%0.23432%0.321CS..Hα-helixtrans-57.7-46176.6-74.5-167.1-33.300111.5Y42 Y70 A76 I77 A78Y42-Q74 HydrophobicContact CD1-CB 4.22Å; Y42-Q74 HydrophobicContact CE1-CB 4.02Å; Y42-Q74 HydrophobicContact CE1-CG 4.12Å; Y70-Q74 HydrophobicContact CD1-CG 4.16Å; Y70-Q74 HydrophobicContact CE1-CG 3.79Å; Y70-Q74 HydrophobicContact CE2-CG 4.32Å; Y70-Q74 WeakPolarHBondContact O-CG 3.25Å; Y70-Q74 PolarHBondContact O-N 2.92Å; Y70-Q74 PolarHBondContact OH-NE2 2.95Å; Q74-A76 VanDerWaalsContact C-N 3.28Å; Q74-A76 PolarHBondContact O-N 3.03Å; Q74-I77 PolarHBondContact O-N 3.18Å; Q74-A78 VanDerWaalsContact O-CB 3.3Å; Q74-A78 WeakPolarHBondContact O-CB 3.44Å; Q74-A78 PolarHBondContact O-N 3.39Å
75S85Confident83.3Confident45 Ų4562.9 Ų62.932%0.31530%0.3SS..Hα-helixtrans-61.1-38.5178-172.60000112.3S71 E72 Q73 T79S71-S75 WeakPolarHBondContact O-CB 3.31Å; S71-S75 PolarHBondContact O-N 3.41Å; E72-S75 PolarHBondContact O-N 2.99Å; Q73-S75 VanDerWaalsContact C-N 3.32Å; Q73-S75 PolarHBondContact O-N 3.38Å; S75-T79 WeakPolarHBondContact O-CB 3.39Å; S75-T79 PolarHBondContact O-N 2.92Å; S75-T79 PolarHBondContact O-OG1 2.81Å
76A83.8Confident84.3Confident18 Ų1856 Ų5615%0.14928%0.276CS..Hα-helixtrans-70.2-44.4178.900000111.1V57 W62 E72 Q73 Q74 A78 T79 E80V57-A76 HydrophobicContact CG1-CB 4.39Å; V57-A76 HydrophobicContact CG2-CB 3.69Å; V57-A76 WeakPolarHBondContact CG2-O 3.27Å; W62-A76 HydrophobicContact CH2-CB 3.5Å; W62-A76 VanDerWaalsContact CH2-CB 3.5Å; W62-A76 HydrophobicContact CZ2-CB 4.29Å; W62-A76 HydrophobicContact CZ3-CB 3.84Å; E72-A76 VanDerWaalsContact O-CB 3.3Å; E72-A76 WeakPolarHBondContact O-CB 3.47Å; E72-A76 PolarHBondContact O-N 3.3Å; Q73-A76 PolarHBondContact O-N 3.38Å; Q73-A76 VanDerWaalsContact O-N 3.16Å; Q74-A76 VanDerWaalsContact C-N 3.28Å; Q74-A76 PolarHBondContact O-N 3.03Å; A76-A78 VanDerWaalsContact C-N 3.35Å; A76-A78 PolarHBondContact O-N 3.38Å; A76-T79 PolarHBondContact O-N 2.9Å; A76-E80 WeakPolarHBondContact O-CB 3.31Å; A76-E80 PolarHBondContact O-N 2.84Å
77I86.5Confident85.5Confident54 Ų5457.1 Ų57.128%0.27728%0.284SS..Hα-helixtrans-60.7-43.9175.6-65.7164.2000111Y42 V57 Q73 Q74 E80 T81Y42-I77 HydrophobicContact CE1-CB 4.42Å; Y42-I77 HydrophobicContact CE1-CG2 4.31Å; Y42-I77 HydrophobicContact CE2-CG2 4.05Å; Y42-I77 WeakPolarHBondContact OH-CG2 3.42Å; V57-I77 HydrophobicContact CG1-CG1 4.01Å; Q73-I77 VanDerWaalsContact O-CG1 3.27Å; Q73-I77 WeakPolarHBondContact O-CG1 3.41Å; Q73-I77 PolarHBondContact O-N 3.11Å; Q74-I77 PolarHBondContact O-N 3.18Å; I77-E80 PolarHBondContact O-N 3.02Å; I77-T81 WeakPolarHBondContact O-CB 3.47Å; I77-T81 PolarHBondContact O-N 3.42Å; I77-T81 PolarHBondContact O-OG1 2.6Å
78A90.4Very high86.7Confident0 Ų054.4 Ų54.40%026%0.264CS..Hα-helixtrans-61.6-46.6176.800000111.6L38 Y42 T45 L48 Q74 A76 E80 T81 C82L38-A78 HydrophobicContact CD2-CB 4.41Å; Y42-A78 HydrophobicContact CD1-CB 4.02Å; Y42-A78 HydrophobicContact CG-CB 3.85Å; T45-A78 HydrophobicContact CG2-CB 3.91Å; L48-A78 HydrophobicContact CD2-CB 3.87Å; Q74-A78 VanDerWaalsContact O-CB 3.3Å; Q74-A78 WeakPolarHBondContact O-CB 3.44Å; Q74-A78 PolarHBondContact O-N 3.39Å; A76-A78 VanDerWaalsContact C-N 3.35Å; A76-A78 PolarHBondContact O-N 3.38Å; A78-E80 VanDerWaalsContact C-N 3.33Å; A78-E80 PolarHBondContact O-N 2.87Å; A78-T81 PolarHBondContact O-N 3.01Å; A78-C82 PolarHBondContact O-N 3.37Å; A78-C82 PolarHBondContact O-SG 3.49Å; A78-C82 VanDerWaalsContact O-SG 3.4Å
79T90Very high88Confident17 Ų1743.6 Ų43.610%0.10422%0.222CC..Hα-helixtrans-60.7-43177.4-56.80000111.4A51 P53 S75 A76 C82 R83A51-T79 HydrophobicContact CB-CG2 4.22Å; P53-T79 HydrophobicContact CB-CG2 4.18Å; S75-T79 WeakPolarHBondContact O-CB 3.39Å; S75-T79 PolarHBondContact O-N 2.92Å; S75-T79 PolarHBondContact O-OG1 2.81Å; A76-T79 PolarHBondContact O-N 2.9Å; T79-C82 PolarHBondContact O-N 3.08Å; T79-R83 PolarHBondContact O-N 3.37Å
80E88.7Confident88.7Confident13 Ų1344.7 Ų44.76%0.06123%0.225CC..Hα-helixtrans-65.8-38.3176.7179.360.3-165.500111.9V57 A76 I77 A78 R83 K84V57-E80 HydrophobicContact CG2-CB 3.77Å; V57-E80 HydrophobicContact CG2-CG 4.34Å; A76-E80 WeakPolarHBondContact O-CB 3.31Å; A76-E80 PolarHBondContact O-N 2.84Å; I77-E80 PolarHBondContact O-N 3.02Å; A78-E80 VanDerWaalsContact C-N 3.33Å; A78-E80 PolarHBondContact O-N 2.87Å; E80-R83 WeakPolarHBondContact O-CB 3.27Å; E80-R83 PolarHBondContact O-N 2.9Å; E80-R83 IonicContact OE1-CZ 3.83Å; E80-R83 IonicContact OE1-NE 3.14Å; E80-R83 IonicContact OE1-NH2 3.34Å; E80-R83 PolarHBondContact OE1-NH2 3.16Å; E80-R83 IonicContact OE2-CZ 2.68Å; E80-R83 IonicContact OE2-NE 3.59Å; E80-R83 PolarHBondContact OE2-NE 3.27Å; E80-R83 IonicContact OE2-NH2 2.81Å; E80-R83 PolarHBondContact OE2-NH2 3.27Å; E80-K84 HydrophobicContact CG-CD 4.49Å; E80-K84 VanDerWaalsContact O-CG 3.29Å; E80-K84 WeakPolarHBondContact O-CG 3.14Å; E80-K84 PolarHBondContact O-N 3.39Å; E80-K84 VanDerWaalsContact OE1-CE 3.25Å; E80-K84 WeakPolarHBondContact OE1-CE 3.01Å
81T91.8Very high89.4Confident22 Ų2238.8 Ų38.814%0.13521%0.206CC..Hα-helixtrans-64.7-45.2175.3-55.80000111.1A34 L38 I77 A78 R83 K84 I85A34-T81 HydrophobicContact CB-CG2 4.25Å; L38-T81 HydrophobicContact CD1-CG2 4.17Å; L38-T81 HydrophobicContact CD2-CG2 4.04Å; L38-T81 HydrophobicContact CG-CG2 3.83Å; I77-T81 WeakPolarHBondContact O-CB 3.47Å; I77-T81 PolarHBondContact O-N 3.42Å; I77-T81 PolarHBondContact O-OG1 2.6Å; A78-T81 PolarHBondContact O-N 3.01Å; T81-R83 VanDerWaalsContact C-N 3.31Å; T81-R83 PolarHBondContact O-N 2.98Å; T81-K84 PolarHBondContact O-N 3.4Å; T81-I85 HydrophobicContact CG2-CD1 4.44Å; T81-I85 WeakPolarHBondContact O-CG1 3.24Å; T81-I85 PolarHBondContact O-N 3.16Å
82C93.9Very high90.2Very high5 Ų535.5 Ų35.53%0.03418%0.182CC..Hα-helixtrans-57.5-43.4173-70.40000112F49 A78 T79 I85 T86F49-C82 HydrophobicContact CD1-CB 3.68Å; F49-C82 HydrophobicContact CE1-CB 3.89Å; F49-C82 HydrophobicContact CG-CB 4.08Å; F49-C82 HydrophobicContact CZ-CB 4.45Å; F49-C82 PolarHBondContact N-SG 2.95Å; F49-C82 VanDerWaalsContact N-SG 3.43Å; A78-C82 PolarHBondContact O-N 3.37Å; A78-C82 PolarHBondContact O-SG 3.49Å; A78-C82 VanDerWaalsContact O-SG 3.4Å; T79-C82 PolarHBondContact O-N 3.08Å; C82-I85 WeakPolarHBondContact O-CB 3.25Å; C82-I85 PolarHBondContact O-N 2.84Å; C82-T86 PolarHBondContact O-N 3.19Å; C82-T86 PolarHBondContact O-OG1 2.63Å
83R92Very high90.8Very high94 Ų9434 Ų3436%0.35519%0.185SC..Hα-helixtrans-61.4-45.4176.9-174-176.273.389.8-8.7111.7T79 E80 T81 I85 T86 D87T79-R83 PolarHBondContact O-N 3.37Å; E80-R83 WeakPolarHBondContact O-CB 3.27Å; E80-R83 PolarHBondContact O-N 2.9Å; E80-R83 IonicContact OE1-CZ 3.83Å; E80-R83 IonicContact OE1-NE 3.14Å; E80-R83 IonicContact OE1-NH2 3.34Å; E80-R83 PolarHBondContact OE1-NH2 3.16Å; E80-R83 IonicContact OE2-CZ 2.68Å; E80-R83 IonicContact OE2-NE 3.59Å; E80-R83 PolarHBondContact OE2-NE 3.27Å; E80-R83 IonicContact OE2-NH2 2.81Å; E80-R83 PolarHBondContact OE2-NH2 3.27Å; T81-R83 VanDerWaalsContact C-N 3.31Å; T81-R83 PolarHBondContact O-N 2.98Å; R83-I85 VanDerWaalsContact C-N 3.28Å; R83-I85 PolarHBondContact O-N 2.98Å; R83-T86 WeakPolarHBondContact CA-OG1 3.46Å; R83-T86 PolarHBondContact O-N 2.85Å; R83-T86 PolarHBondContact O-OG1 2.85Å; R83-D87 IonicContact CZ-OD2 2.69Å; R83-D87 IonicContact NH1-OD2 3.71Å; R83-D87 PolarHBondContact NH1-OD2 3.18Å; R83-D87 WeakPolarHBondContact O-CB 3.44Å; R83-D87 PolarHBondContact O-N 2.88Å
84K92.1Very high91.6Very high94 Ų9436.1 Ų36.141%0.40920%0.195SC..Hα-helixtrans-65.4-32.2178.8-64.4171.1174.8175.80112.4Y30 E80 T81 F88Y30-K84 WeakPolarHBondContact OH-CB 3.31Å; E80-K84 HydrophobicContact CG-CD 4.49Å; E80-K84 VanDerWaalsContact O-CG 3.29Å; E80-K84 WeakPolarHBondContact O-CG 3.14Å; E80-K84 PolarHBondContact O-N 3.39Å; E80-K84 VanDerWaalsContact OE1-CE 3.25Å; E80-K84 WeakPolarHBondContact OE1-CE 3.01Å; T81-K84 PolarHBondContact O-N 3.4Å; K84-F88 VanDerWaalsContact O-CB 3.31Å; K84-F88 WeakPolarHBondContact O-CB 3.47Å; K84-F88 PolarHBondContact O-N 2.91Å
85I95.3Very high92.2Very high0 Ų034.9 Ų34.90%019%0.191CC..Hα-helixtrans-63.4-48.6171.1-68165.4000110.6L31 A34 F35 L38 F49 T81 C82 R83 F88 L89L31-I85 HydrophobicContact CD2-CG2 4.03Å; A34-I85 HydrophobicContact CB-CD1 3.88Å; A34-I85 HydrophobicContact CB-CG1 3.76Å; F35-I85 HydrophobicContact CD2-CD1 4.1Å; F35-I85 HydrophobicContact CE2-CD1 3.9Å; F35-I85 HydrophobicContact CE2-CG1 4.49Å; F35-I85 HydrophobicContact CE2-CG2 3.96Å; F35-I85 HydrophobicContact CZ-CD1 4.17Å; F35-I85 HydrophobicContact CZ-CG2 4.29Å; L38-I85 HydrophobicContact CD1-CD1 3.48Å; L38-I85 VanDerWaalsContact CD1-CD1 3.48Å; F49-I85 HydrophobicContact CE1-CB 4.28Å; F49-I85 HydrophobicContact CE1-CD1 4.06Å; F49-I85 HydrophobicContact CE1-CG2 4.14Å; F49-I85 HydrophobicContact CZ-CD1 3.99Å; T81-I85 HydrophobicContact CG2-CD1 4.44Å; T81-I85 WeakPolarHBondContact O-CG1 3.24Å; T81-I85 PolarHBondContact O-N 3.16Å; C82-I85 WeakPolarHBondContact O-CB 3.25Å; C82-I85 PolarHBondContact O-N 2.84Å; R83-I85 VanDerWaalsContact C-N 3.28Å; R83-I85 PolarHBondContact O-N 2.98Å; I85-F88 WeakPolarHBondContact O-CB 3.49Å; I85-F88 PolarHBondContact O-N 3.26Å; I85-L89 HydrophobicContact CG2-CD1 4.21Å; I85-L89 WeakPolarHBondContact O-CG 3.46Å; I85-L89 PolarHBondContact O-N 2.65Å
86T94.9Very high92.8Very high20 Ų2032.8 Ų32.812%0.12318%0.176CC..Hα-helixtrans-65.1-39.9178.551.80000112.1C82 R83 F88 L89 D90 M168C82-T86 PolarHBondContact O-N 3.19Å; C82-T86 PolarHBondContact O-OG1 2.63Å; R83-T86 WeakPolarHBondContact CA-OG1 3.46Å; R83-T86 PolarHBondContact O-N 2.85Å; R83-T86 PolarHBondContact O-OG1 2.85Å; T86-F88 VanDerWaalsContact C-N 3.32Å; T86-F88 PolarHBondContact O-N 3.46Å; T86-L89 PolarHBondContact O-N 3.02Å; T86-D90 WeakPolarHBondContact O-CB 3.45Å; T86-D90 PolarHBondContact O-N 3.25Å; T86-M168 HydrophobicContact CG2-CE 3.94Å; T86-M168 HydrophobicContact CG2-SD 3.84Å
87D93.2Very high93.5Very high71 Ų7131.9 Ų31.938%0.3817%0.169SC..Hα-helixtrans-63.8-38.8176.4-68.3-12.3000110.9R83 D90 S91R83-D87 IonicContact CZ-OD2 2.69Å; R83-D87 IonicContact NH1-OD2 3.71Å; R83-D87 PolarHBondContact NH1-OD2 3.18Å; R83-D87 WeakPolarHBondContact O-CB 3.44Å; R83-D87 PolarHBondContact O-N 2.88Å; D87-D90 PolarHBondContact O-N 3.43Å; D87-S91 WeakPolarHBondContact O-CB 3.35Å; D87-S91 PolarHBondContact O-N 3.26Å; D87-S91 PolarHBondContact O-OG 3.38Å
88F95.1Very high93.9Very high8 Ų829.5 Ų29.54%0.03516%0.157CC..Hα-helixtrans-61.5-49173.3168.2-90.2000111.5K7 L12 P28 Y30 L31 K84 I85 T86 D90 S91 L92K7-F88 HydrophobicContact CD-CD2 4.4Å; K7-F88 HydrophobicContact CD-CE2 4.37Å; L12-F88 HydrophobicContact CD1-CE2 3.6Å; L12-F88 HydrophobicContact CD1-CZ 3.43Å; L12-F88 VanDerWaalsContact CD1-CZ 3.43Å; P28-F88 HydrophobicContact CB-CZ 4.06Å; P28-F88 HydrophobicContact CG-CZ 4.22Å; Y30-F88 HydrophobicContact CD1-CB 4.1Å; Y30-F88 HydrophobicContact CD1-CD1 4.39Å; Y30-F88 AromaticContact CD1-CD2 3.71Å; Y30-F88 HydrophobicContact CD1-CD2 3.71Å; Y30-F88 HydrophobicContact CD1-CE2 4.24Å; Y30-F88 AromaticContact CD1-CG 3.79Å; Y30-F88 HydrophobicContact CD1-CG 3.79Å; Y30-F88 HydrophobicContact CE1-CB 3.75Å; Y30-F88 HydrophobicContact CE1-CD2 4.18Å; Y30-F88 AromaticContact CE1-CG 3.98Å; Y30-F88 HydrophobicContact CE1-CG 3.98Å; Y30-F88 HydrophobicContact CG-CD2 4.39Å; L31-F88 HydrophobicContact CD1-CD1 4.25Å; L31-F88 HydrophobicContact CD1-CE1 3.68Å; L31-F88 HydrophobicContact CD2-CD1 3.66Å; L31-F88 HydrophobicContact CD2-CE1 3.91Å; L31-F88 HydrophobicContact CD2-CG 4.5Å; L31-F88 HydrophobicContact CG-CD1 3.93Å; L31-F88 HydrophobicContact CG-CE1 3.64Å; L31-F88 HydrophobicContact CG-CZ 4.34Å; K84-F88 VanDerWaalsContact O-CB 3.31Å; K84-F88 WeakPolarHBondContact O-CB 3.47Å; K84-F88 PolarHBondContact O-N 2.91Å; I85-F88 WeakPolarHBondContact O-CB 3.49Å; I85-F88 PolarHBondContact O-N 3.26Å; T86-F88 VanDerWaalsContact C-N 3.32Å; T86-F88 PolarHBondContact O-N 3.46Å; F88-D90 VanDerWaalsContact C-N 3.31Å; F88-D90 PolarHBondContact O-N 2.89Å; F88-S91 PolarHBondContact O-N 3.22Å; F88-S91 VanDerWaalsContact O-N 3.1Å; F88-S91 PolarHBondContact O-OG 3.22Å; F88-L92 HydrophobicContact CE1-CD2 4.33Å; F88-L92 HydrophobicContact CZ-CD2 4.11Å; F88-L92 PolarHBondContact O-N 3.2Å
89L96.2Very high94.2Very high4 Ų432.6 Ų32.62%0.02118%0.176CC..Hα-helixtrans-62.2-40.8179.6-67.2170.7000111.5I85 T86 S91 L92 V96 L143 M168 H171 L172I85-L89 HydrophobicContact CG2-CD1 4.21Å; I85-L89 WeakPolarHBondContact O-CG 3.46Å; I85-L89 PolarHBondContact O-N 2.65Å; T86-L89 PolarHBondContact O-N 3.02Å; L89-S91 VanDerWaalsContact C-N 3.26Å; L89-S91 PolarHBondContact O-N 3.04Å; L89-L92 HydrophobicContact CD2-CD1 4.35Å; L89-L92 WeakPolarHBondContact O-CB 3.34Å; L89-L92 PolarHBondContact O-N 3.38Å; L89-V96 HydrophobicContact CD2-CG2 3.76Å; L89-L143 HydrophobicContact CD2-CD1 4.05Å; L89-M168 HydrophobicContact CD1-CE 3.69Å; L89-H171 HydrophobicContact CB-CB 4.18Å; L89-H171 HydrophobicContact CD1-CB 4.24Å; L89-L172 HydrophobicContact CD1-CD2 3.89Å; L89-L172 HydrophobicContact CD2-CD2 4.26Å
90D94.5Very high94.4Very high55 Ų5536.2 Ų36.229%0.29420%0.198SC..Hα-helixtrans-68-23.5175.6-80-10.4000113.3T86 D87 F88 L92 H171 K175T86-D90 WeakPolarHBondContact O-CB 3.45Å; T86-D90 PolarHBondContact O-N 3.25Å; D87-D90 PolarHBondContact O-N 3.43Å; F88-D90 VanDerWaalsContact C-N 3.31Å; F88-D90 PolarHBondContact O-N 2.89Å; D90-L92 VanDerWaalsContact C-N 3.32Å; D90-H171 IonicContact OD1-CE1 2.69Å; D90-H171 IonicContact OD1-CG 3.98Å; D90-H171 IonicContact OD1-ND1 3.69Å; D90-H171 PolarHBondContact OD1-ND1 3.33Å; D90-H171 IonicContact OD2-CE1 3.84Å; D90-H171 PolarHBondContact OD2-CE1 2.89Å; D90-H171 IonicContact OD2-ND1 2.82Å; D90-H171 PolarHBondContact OD2-ND1 3.02Å; D90-H171 VanDerWaalsContact OD2-ND1 3.14Å; D90-K175 IonicContact OD1-NZ 2.91Å; D90-K175 WeakPolarHBondContact OD2-CE 3.28Å; D90-K175 IonicContact OD2-NZ 2.65Å; D90-K175 PolarHBondContact OD2-NZ 3.11Å
91S94.2Very high94.8Very high29 Ų2936 Ų3620%0.20320%0.197CC..THydrogen-bonded Turntrans-82.1-7.5178.173.40000114K7 D87 F88 L89K7-S91 PolarHBondContact N-O 3.33Å; D87-S91 WeakPolarHBondContact O-CB 3.35Å; D87-S91 PolarHBondContact O-N 3.26Å; D87-S91 PolarHBondContact O-OG 3.38Å; F88-S91 PolarHBondContact O-N 3.22Å; F88-S91 VanDerWaalsContact O-N 3.1Å; F88-S91 PolarHBondContact O-OG 3.22Å; L89-S91 VanDerWaalsContact C-N 3.26Å; L89-S91 PolarHBondContact O-N 3.04Å
92L95Very high95.1Very high16 Ų1636 Ų368%0.08420%0.195CC..BIsolated β-bridgetrans-68.2138.8177.9-63.5174.9000110.6K7 L9 L12 F88 L89 D90 E94 V96K7-L92 HydrophobicContact CB-CD2 4.31Å; K7-L92 CarbonylContact O-C 3.5Å; K7-L92 VanDerWaalsContact O-CA 3.31Å; K7-L92 WeakPolarHBondContact O-CA 3.24Å; L9-L92 HydrophobicContact CD1-CD1 4.49Å; L9-L92 HydrophobicContact CD1-CD2 4.22Å; L12-L92 HydrophobicContact CD1-CD2 4.16Å; F88-L92 HydrophobicContact CE1-CD2 4.33Å; F88-L92 HydrophobicContact CZ-CD2 4.11Å; F88-L92 PolarHBondContact O-N 3.2Å; L89-L92 HydrophobicContact CD2-CD1 4.35Å; L89-L92 WeakPolarHBondContact O-CB 3.34Å; L89-L92 PolarHBondContact O-N 3.38Å; D90-L92 VanDerWaalsContact C-N 3.32Å; L92-E94 VanDerWaalsContact CB-O 3.26Å; L92-E94 WeakPolarHBondContact CB-O 2.85Å; L92-E94 PolarHBondContact O-N 3.26Å; L92-V96 HydrophobicContact CD1-CG2 3.76Å
93A93.8Very high95.2Very high58 Ų5841.1 Ų41.148%0.47922%0.219SC..SBendtrans-58-33.6177.200000112.6V6 K7 Q8V6-A93 VanDerWaalsContact CG1-CA 3.47Å; V6-A93 HydrophobicContact CG1-CB 3.48Å; V6-A93 VanDerWaalsContact CG1-CB 3.48Å; K7-A93 PolarHBondContact O-N 3.36Å; Q8-A93 HydrophobicContact CG-CB 4.01Å
94E94.1Very high95.4Very high86 Ų8639.2 Ų39.240%0.40222%0.22SC..SBendtrans-132.1140172.9-170.4-179.5-171.800108.1L92 T98L92-E94 VanDerWaalsContact CB-O 3.26Å; L92-E94 WeakPolarHBondContact CB-O 2.85Å; L92-E94 PolarHBondContact O-N 3.26Å; E94-T98 HydrophobicContact CG-CG2 4.49Å; E94-T98 WeakPolarHBondContact OE1-CA 3.39Å; E94-T98 WeakPolarHBondContact OE1-CB 3.4Å; E94-T98 WeakPolarHBondContact OE1-CG2 3.37Å
95P96.6Very high95.7Very high24 Ų2434.8 Ų34.816%0.15620%0.201CC..  trans-56.5152.7173.423.9-35.6000112.1I97 N136 L172P95-I97 WeakPolarHBondContact CG-O 3.49Å; P95-I97 CarbonylContact O-C 3.59Å; P95-I97 PolarHBondContact O-N 3.07Å; P95-N136 PolarHBondContact O-ND2 2.91Å; P95-L172 WeakPolarHBondContact CB-O 3.43Å
96V97.1Very high95.7Very high0 Ų035.6 Ų35.60%021%0.205CC..SBendtrans-54.8-43.7178.3178.20000110.7L89 L92 T98 N136 T139 L140 L143 L172L89-V96 HydrophobicContact CD2-CG2 3.76Å; L92-V96 HydrophobicContact CD1-CG2 3.76Å; V96-T98 PolarHBondContact O-N 3.01Å; V96-N136 WeakPolarHBondContact O-CB 3.42Å; V96-N136 PolarHBondContact O-ND2 3.03Å; V96-T139 HydrophobicContact CG1-CG2 4.21Å; V96-T139 HydrophobicContact CG2-CG2 4.25Å; V96-L140 HydrophobicContact CG1-CB 4.02Å; V96-L143 HydrophobicContact CG1-CD1 4.39Å; V96-L143 HydrophobicContact CG2-CD1 4.29Å; V96-L172 HydrophobicContact CB-CD2 4.38Å; V96-L172 HydrophobicContact CG2-CD2 4.35Å
97I97.4Very high95.7Very high0 Ų037.3 Ų37.30%022%0.218CC..SBendtrans-88.1105.1167.4-58.8173.5000107.5P95 V101 K102 L105 L140 L172 F173P95-I97 WeakPolarHBondContact CG-O 3.49Å; P95-I97 CarbonylContact O-C 3.59Å; P95-I97 PolarHBondContact O-N 3.07Å; I97-V101 HydrophobicContact CG2-CB 4.39Å; I97-V101 HydrophobicContact CG2-CG1 4.26Å; I97-K102 HydrophobicContact CG2-CB 4.15Å; I97-L105 HydrophobicContact CG2-CD1 4.01Å; I97-L140 HydrophobicContact CD1-CD1 4.29Å; I97-L140 HydrophobicContact CG1-CD1 4.22Å; I97-L140 HydrophobicContact CG1-CD2 4.29Å; I97-L172 WeakPolarHBondContact CB-O 3.49Å; I97-L172 HydrophobicContact CD1-CB 4.38Å; I97-L172 PolarHBondContact N-O 3.16Å; I97-F173 HydrophobicContact CB-CD1 4.25Å; I97-F173 HydrophobicContact CD1-CD1 4Å; I97-F173 HydrophobicContact CD1-CD2 3.95Å; I97-F173 HydrophobicContact CD1-CE1 3.64Å; I97-F173 HydrophobicContact CD1-CE2 3.54Å; I97-F173 HydrophobicContact CD1-CG 4.16Å; I97-F173 HydrophobicContact CD1-CZ 3.4Å; I97-F173 HydrophobicContact CG2-CD1 3.93Å; I97-F173 HydrophobicContact CG2-CE1 3.99Å
98T96.3Very high95.7Very high3 Ų334.4 Ų34.42%0.01820%0.204CC..  trans-56.6157-178.863.30000111.8E94 V96 T100 V101 K102 L132 P133E94-T98 HydrophobicContact CG-CG2 4.49Å; E94-T98 WeakPolarHBondContact OE1-CA 3.39Å; E94-T98 WeakPolarHBondContact OE1-CB 3.4Å; E94-T98 WeakPolarHBondContact OE1-CG2 3.37Å; V96-T98 PolarHBondContact O-N 3.01Å; T98-T100 VanDerWaalsContact C-N 3.25Å; T98-T100 PolarHBondContact O-N 3.44Å; T98-T100 PolarHBondContact OG1-OG1 2.98Å; T98-V101 PolarHBondContact O-N 3.35Å; T98-V101 WeakPolarHBondContact OG1-CG2 3.31Å; T98-K102 VanDerWaalsContact O-CB 3.31Å; T98-K102 WeakPolarHBondContact O-CB 3.48Å; T98-K102 PolarHBondContact O-N 3.46Å; T98-L132 HydrophobicContact CG2-CD2 3.91Å; T98-P133 HydrophobicContact CG2-CG 4.01Å
99V95.3Very high95.6Very high65 Ų6536.4 Ų36.439%0.39421%0.212SC..Hα-helixtrans-57.6-41.4-177.6179.70000111.4K102 E103V99-K102 WeakPolarHBondContact O-CB 3.34Å; V99-K102 PolarHBondContact O-N 2.95Å; V99-E103 WeakPolarHBondContact O-CG 3.25Å; V99-E103 PolarHBondContact O-N 3.26Å
100T95.3Very high95.4Very high94 Ų9442.7 Ų42.758%0.57724%0.239SC*.Hα-helixtrans-63.3-46.1179.952.40000112.9T98 E103 S104T98-T100 VanDerWaalsContact C-N 3.25Å; T98-T100 PolarHBondContact O-N 3.44Å; T98-T100 PolarHBondContact OG1-OG1 2.98Å; T100-E103 PolarHBondContact O-N 2.85Å; T100-S104 PolarHBondContact O-N 3.31Å; T100-S104 PolarHBondContact O-OG 2.91Å
101V97.2Very high95.1Very high7 Ų746.8 Ų46.84%0.04226%0.26CS..Hα-helixtrans-72.4-37178.6176.50000110.5I97 T98 E103 S104 L105 L132I97-V101 HydrophobicContact CG2-CB 4.39Å; I97-V101 HydrophobicContact CG2-CG1 4.26Å; T98-V101 PolarHBondContact O-N 3.35Å; T98-V101 WeakPolarHBondContact OG1-CG2 3.31Å; V101-E103 VanDerWaalsContact C-N 3.34Å; V101-E103 PolarHBondContact O-N 2.86Å; V101-S104 WeakPolarHBondContact O-CB 3.3Å; V101-S104 PolarHBondContact O-N 2.98Å; V101-L105 HydrophobicContact CG1-CD1 3.9Å; V101-L105 HydrophobicContact CG1-CG 4.15Å; V101-L105 WeakPolarHBondContact O-CB 3.16Å; V101-L105 VanDerWaalsContact O-CG 3.28Å; V101-L105 WeakPolarHBondContact O-CG 3.46Å; V101-L105 PolarHBondContact O-N 2.82Å; V101-L132 HydrophobicContact CB-CD2 3.75Å; V101-L132 HydrophobicContact CB-CG 4.26Å; V101-L132 HydrophobicContact CG1-CD2 4.03Å; V101-L132 HydrophobicContact CG1-CG 4.1Å; V101-L132 HydrophobicContact CG2-CD2 3.68Å; V101-L132 HydrophobicContact CG2-CG 3.98Å
102K97.2Very high94.7Very high22 Ų2248.6 Ų48.610%0.09626%0.262CS..Hα-helixtrans-53.6-50.1172.1168.2178.878.8168.10111.3I97 T98 V99 S104 L105 L106 F173 E176I97-K102 HydrophobicContact CG2-CB 4.15Å; T98-K102 VanDerWaalsContact O-CB 3.31Å; T98-K102 WeakPolarHBondContact O-CB 3.48Å; T98-K102 PolarHBondContact O-N 3.46Å; V99-K102 WeakPolarHBondContact O-CB 3.34Å; V99-K102 PolarHBondContact O-N 2.95Å; K102-S104 VanDerWaalsContact C-N 3.32Å; K102-S104 PolarHBondContact O-N 2.69Å; K102-L105 PolarHBondContact O-N 3.22Å; K102-L106 HydrophobicContact CG-CD1 3.79Å; K102-L106 HydrophobicContact CG-CG 4.47Å; K102-L106 WeakPolarHBondContact O-CB 3.1Å; K102-L106 VanDerWaalsContact O-CG 3.25Å; K102-L106 WeakPolarHBondContact O-CG 3.39Å; K102-L106 PolarHBondContact O-N 3.08Å; K102-F173 HydrophobicContact CB-CD1 4.1Å; K102-F173 HydrophobicContact CD-CB 4.18Å; K102-F173 HydrophobicContact CD-CD1 4.32Å; K102-F173 WeakPolarHBondContact CD-O 3.14Å; K102-F173 HydrophobicContact CG-CD1 3.89Å; K102-E176 IonicContact NZ-OE1 3.5Å; K102-E176 PolarHBondContact NZ-OE1 2.89Å; K102-E176 IonicContact NZ-OE2 3.66Å
103E96.3Very high93.9Very high113 Ų11357.2 Ų57.253%0.52829%0.294SS..Hα-helixtrans-62.4-40.2179.9-73.8175.3176.400112.2V99 T100 V101 L106 S107V99-E103 WeakPolarHBondContact O-CG 3.25Å; V99-E103 PolarHBondContact O-N 3.26Å; T100-E103 PolarHBondContact O-N 2.85Å; V101-E103 VanDerWaalsContact C-N 3.34Å; V101-E103 PolarHBondContact O-N 2.86Å; E103-L106 PolarHBondContact O-N 2.99Å; E103-S107 WeakPolarHBondContact O-CB 3.44Å; E103-S107 PolarHBondContact O-N 3.24Å; E103-S107 PolarHBondContact O-OG 2.97Å
104S96.7Very high93Very high55 Ų5564.6 Ų64.639%0.38532%0.315SS..Hα-helixtrans-62.5-48.3176-58.60000111.7T100 V101 K102 L106 S107 A108T100-S104 PolarHBondContact O-N 3.31Å; T100-S104 PolarHBondContact O-OG 2.91Å; V101-S104 WeakPolarHBondContact O-CB 3.3Å; V101-S104 PolarHBondContact O-N 2.98Å; K102-S104 VanDerWaalsContact C-N 3.32Å; K102-S104 PolarHBondContact O-N 2.69Å; S104-L106 PolarHBondContact O-N 3.46Å; S104-S107 PolarHBondContact O-N 3.13Å; S104-A108 WeakPolarHBondContact O-CB 3.1Å; S104-A108 PolarHBondContact O-N 3.5Å
105L97.2Very high91.8Very high0 Ų067 Ų670%034%0.336CS..Hα-helixtrans-61.1-42.1177.3-70.4168.8000112.1I97 V101 K102 Y109 L125 L128 F173 I198I97-L105 HydrophobicContact CG2-CD1 4.01Å; V101-L105 HydrophobicContact CG1-CD1 3.9Å; V101-L105 HydrophobicContact CG1-CG 4.15Å; V101-L105 WeakPolarHBondContact O-CB 3.16Å; V101-L105 VanDerWaalsContact O-CG 3.28Å; V101-L105 WeakPolarHBondContact O-CG 3.46Å; V101-L105 PolarHBondContact O-N 2.82Å; K102-L105 PolarHBondContact O-N 3.22Å; L105-Y109 PolarHBondContact O-N 3.06Å; L105-L125 HydrophobicContact CD2-CB 4.13Å; L105-L125 HydrophobicContact CD2-CD2 3.68Å; L105-L128 HydrophobicContact CD2-CB 3.72Å; L105-L128 HydrophobicContact CD2-CD1 4.02Å; L105-L128 HydrophobicContact CG-CB 4.35Å; L105-F173 HydrophobicContact CD1-CE1 3.92Å; L105-F173 HydrophobicContact CD1-CZ 4.42Å; L105-I198 HydrophobicContact CB-CD1 4.26Å; L105-I198 HydrophobicContact CB-CG2 4.5Å; L105-I198 HydrophobicContact CD2-CG2 4.48Å
106L96Very high90.9Very high18 Ų1867.2 Ų67.29%0.09434%0.342CS..Hα-helixtrans-69-35.1178.1-71.3170.7000112.4K102 E103 S104 Y109 K110 L191 R194 K195 I198K102-L106 HydrophobicContact CG-CD1 3.79Å; K102-L106 HydrophobicContact CG-CG 4.47Å; K102-L106 WeakPolarHBondContact O-CB 3.1Å; K102-L106 VanDerWaalsContact O-CG 3.25Å; K102-L106 WeakPolarHBondContact O-CG 3.39Å; K102-L106 PolarHBondContact O-N 3.08Å; E103-L106 PolarHBondContact O-N 2.99Å; S104-L106 PolarHBondContact O-N 3.46Å; L106-Y109 PolarHBondContact O-N 3.22Å; L106-K110 WeakPolarHBondContact O-CG 3.05Å; L106-K110 PolarHBondContact O-N 3.31Å; L106-K110 VanDerWaalsContact O-N 3.13Å; L106-L191 HydrophobicContact CD1-CD1 3.53Å; L106-L191 HydrophobicContact CD2-CD1 3.89Å; L106-L191 HydrophobicContact CG-CD1 4.35Å; L106-R194 HydrophobicContact CD2-CB 3.95Å; L106-K195 HydrophobicContact CD2-CG 4.22Å; L106-I198 HydrophobicContact CD2-CD1 3.96Å
107S94.7Very high90.5Very high55 Ų5569.6 Ų69.639%0.38536%0.359SS..Hα-helixtrans-68.7-45.1175.9-620000111.1E103 S104 Y109 K110 L111E103-S107 WeakPolarHBondContact O-CB 3.44Å; E103-S107 PolarHBondContact O-N 3.24Å; E103-S107 PolarHBondContact O-OG 2.97Å; S104-S107 PolarHBondContact O-N 3.13Å; S107-Y109 VanDerWaalsContact C-N 3.29Å; S107-Y109 PolarHBondContact O-N 2.74Å; S107-K110 WeakPolarHBondContact O-CB 3.39Å; S107-K110 PolarHBondContact O-N 2.85Å; S107-L111 WeakPolarHBondContact O-CG 3.18Å; S107-L111 PolarHBondContact O-N 2.93Å
108A93.7Very high90.1Very high11 Ų1173.2 Ų73.29%0.09138%0.377CS..Hα-helixtrans-54.1-44.4170.500000112.4S104 K110 L111 R112 M124 L125 L128S104-A108 WeakPolarHBondContact O-CB 3.1Å; S104-A108 PolarHBondContact O-N 3.5Å; A108-K110 VanDerWaalsContact C-N 3.33Å; A108-K110 PolarHBondContact O-N 3.39Å; A108-L111 PolarHBondContact O-N 2.94Å; A108-R112 PolarHBondContact O-N 3.37Å; A108-R112 VanDerWaalsContact O-N 3.09Å; A108-M124 HydrophobicContact CB-CE 3.8Å; A108-M124 HydrophobicContact CB-SD 3.38Å; A108-M124 WeakPolarHBondContact CB-SD 3.46Å; A108-L125 HydrophobicContact CB-CD2 4.5Å; A108-L128 HydrophobicContact CB-CD1 3.61Å
109Y93.2Very high89.8Confident50 Ų5080.2 Ų80.220%0.19641%0.408CS..Hα-helixtrans-61.8-38.5176.3-173.7-81000113L105 L106 S107 R112 F121 R194 L197 I198L105-Y109 PolarHBondContact O-N 3.06Å; L106-Y109 PolarHBondContact O-N 3.22Å; S107-Y109 VanDerWaalsContact C-N 3.29Å; S107-Y109 PolarHBondContact O-N 2.74Å; Y109-R112 WeakPolarHBondContact O-CB 3.4Å; Y109-R112 PolarHBondContact O-N 3.46Å; Y109-F121 HydrophobicContact CD2-CE1 4.15Å; Y109-F121 AromaticContact CD2-CZ 3.89Å; Y109-F121 HydrophobicContact CD2-CZ 3.89Å; Y109-F121 HydrophobicContact CG-CZ 4.39Å; Y109-R194 HydrophobicContact CD1-CB 4.28Å; Y109-R194 HydrophobicContact CD1-CG 3.77Å; Y109-R194 HydrophobicContact CE1-CB 4.37Å; Y109-R194 HydrophobicContact CE1-CG 3.62Å; Y109-L197 HydrophobicContact CE2-CB 4.09Å; Y109-L197 HydrophobicContact CE2-CD1 4.34Å; Y109-L197 WeakPolarHBondContact OH-CD1 3.29Å; Y109-I198 HydrophobicContact CD2-CD1 4.36Å; Y109-I198 HydrophobicContact CD2-CG1 3.88Å; Y109-I198 HydrophobicContact CG-CD1 4.42Å; Y109-I198 HydrophobicContact CG-CG1 4.43Å
110K90.7Very high89.6Confident136 Ų13683.2 Ų83.259%0.59142%0.417SS*.Hα-helixtrans-67.5-35.9176.3-70.7172.5-174.71710112.4L106 S107 A108 R112L106-K110 WeakPolarHBondContact O-CG 3.05Å; L106-K110 PolarHBondContact O-N 3.31Å; L106-K110 VanDerWaalsContact O-N 3.13Å; S107-K110 WeakPolarHBondContact O-CB 3.39Å; S107-K110 PolarHBondContact O-N 2.85Å; A108-K110 VanDerWaalsContact C-N 3.33Å; A108-K110 PolarHBondContact O-N 3.39Å; K110-R112 VanDerWaalsContact C-N 3.28Å
111L88.7Confident89.5Confident141 Ų14179.2 Ų79.274%0.73839%0.392SS*.Hα-helixtrans-80-9.3-179.9-68.4172.6000113.4S107 A108 R113S107-L111 WeakPolarHBondContact O-CG 3.18Å; S107-L111 PolarHBondContact O-N 2.93Å; A108-L111 PolarHBondContact O-N 2.94Å; L111-R113 PolarHBondContact O-N 2.82Å; L111-R113 VanDerWaalsContact O-N 3.11Å
112R87.1Confident89.3Confident67 Ų6779 Ų7925%0.25339%0.391SS..  trans-56.5118.9179.8-174.6-176.2172-149-9110.5A108 Y109 K110 F121A108-R112 PolarHBondContact O-N 3.37Å; A108-R112 VanDerWaalsContact O-N 3.09Å; Y109-R112 WeakPolarHBondContact O-CB 3.4Å; Y109-R112 PolarHBondContact O-N 3.46Å; K110-R112 VanDerWaalsContact C-N 3.28Å; R112-F121 HydrophobicContact CB-CD2 4.04Å; R112-F121 HydrophobicContact CB-CE2 3.82Å; R112-F121 HydrophobicContact CB-CZ 4.34Å; R112-F121 HydrophobicContact CG-CD2 3.79Å; R112-F121 HydrophobicContact CG-CE2 4.03Å; R112-F121 HydrophobicContact CG-CG 4.09Å
113R76.8Confident89.1Confident197 Ų19781.9 Ų81.974%0.74340%0.404SS*.  trans-68.1136.8171.2-64.4-176.7179.7178.20109.6L111 T115 G116L111-R113 PolarHBondContact O-N 2.82Å; L111-R113 VanDerWaalsContact O-N 3.11Å; R113-T115 PolarHBondContact O-N 3.27Å; R113-G116 PolarHBondContact O-N 2.95Å
114K74.9Confident89Confident213 Ų21379.8 Ų79.893%0.92640%0.395SS*.THydrogen-bonded Turntrans-57-32.2177-71.3-173.3177.6-176.60112.5
115T70.4Confident89Confident136 Ų13677.1 Ų77.183%0.83438%0.377SS*.THydrogen-bonded Turntrans-87.5-2.1-179.851.60000114R113R113-T115 PolarHBondContact O-N 3.27Å
116G76.5Confident88.8Confident28 Ų2877.1 Ų77.129%0.28938%0.377SS..SBendtrans-75.6144.9-17700000113R113 I118R113-G116 PolarHBondContact O-N 2.95Å; G116-I118 PolarHBondContact O-N 3.42Å
117S88.7Confident88.7Confident51 Ų5182.2 Ų82.236%0.35740%0.404SS..  trans-58.7130175.1174.30000110.8K119 E120 F121S117-K119 PolarHBondContact O-N 3.48Å; S117-K119 PolarHBondContact OG-N 2.83Å; S117-E120 PolarHBondContact O-N 3.49Å; S117-F121 WeakPolarHBondContact O-CB 3.4Å; S117-F121 PolarHBondContact O-N 3.03Å
118I90.4Very high88.8Confident75 Ų7582.2 Ų82.239%0.38540%0.399SS..Hα-helixtrans-59.2-36.2173.5-67.2169.5000109.9G116 F121 T122 L201G116-I118 PolarHBondContact O-N 3.42Å; I118-F121 PolarHBondContact O-N 2.78Å; I118-T122 WeakPolarHBondContact O-CB 3.47Å; I118-T122 PolarHBondContact O-N 2.97Å; I118-T122 PolarHBondContact O-OG1 3.48Å; I118-L201 HydrophobicContact CG2-CD2 3.9Å
119K89.6Confident89Confident151 Ų15181.7 Ų81.766%0.65739%0.394SS*.Hα-helixtrans-64-50.8-179.7-173.3-179.4178.5-177.80111.6S117 F121 T122 Q123S117-K119 PolarHBondContact O-N 3.48Å; S117-K119 PolarHBondContact OG-N 2.83Å; K119-F121 VanDerWaalsContact C-N 3.32Å; K119-F121 PolarHBondContact O-N 3.43Å; K119-T122 PolarHBondContact O-N 3.47Å; K119-T122 VanDerWaalsContact O-N 3.16Å; K119-Q123 WeakPolarHBondContact O-CG 3.42Å; K119-Q123 PolarHBondContact O-N 3.46Å
120E90.1Very high89Confident127 Ų12782.5 Ų82.559%0.59340%0.4SS*.Hα-helixtrans-60.9-43177-67.8171.7174.700111.3S117 T122 Q123 M124S117-E120 PolarHBondContact O-N 3.49Å; E120-T122 VanDerWaalsContact C-N 3.31Å; E120-T122 PolarHBondContact O-N 3.48Å; E120-Q123 PolarHBondContact O-N 2.99Å; E120-M124 WeakPolarHBondContact O-CB 3.46Å; E120-M124 PolarHBondContact O-N 3.21Å
121F93.6Very high89.1Confident11 Ų1178.8 Ų78.85%0.04840%0.4CS..Hα-helixtrans-61-42.2176-178.9-111.3000111.5Y109 R112 S117 I118 K119 M124 L125 L201Y109-F121 HydrophobicContact CD2-CE1 4.15Å; Y109-F121 AromaticContact CD2-CZ 3.89Å; Y109-F121 HydrophobicContact CD2-CZ 3.89Å; Y109-F121 HydrophobicContact CG-CZ 4.39Å; R112-F121 HydrophobicContact CB-CD2 4.04Å; R112-F121 HydrophobicContact CB-CE2 3.82Å; R112-F121 HydrophobicContact CB-CZ 4.34Å; R112-F121 HydrophobicContact CG-CD2 3.79Å; R112-F121 HydrophobicContact CG-CE2 4.03Å; R112-F121 HydrophobicContact CG-CG 4.09Å; S117-F121 WeakPolarHBondContact O-CB 3.4Å; S117-F121 PolarHBondContact O-N 3.03Å; I118-F121 PolarHBondContact O-N 2.78Å; K119-F121 VanDerWaalsContact C-N 3.32Å; K119-F121 PolarHBondContact O-N 3.43Å; F121-M124 HydrophobicContact CD2-CE 3.59Å; F121-M124 HydrophobicContact CE2-CE 3.75Å; F121-M124 PolarHBondContact O-N 3.26Å; F121-L125 HydrophobicContact CD1-CD1 4.11Å; F121-L125 HydrophobicContact CE1-CD1 3.64Å; F121-L125 HydrophobicContact CE1-CD2 4.35Å; F121-L125 HydrophobicContact CE1-CG 4.12Å; F121-L125 HydrophobicContact CE2-CD2 4.31Å; F121-L125 HydrophobicContact CZ-CD1 4.06Å; F121-L125 HydrophobicContact CZ-CD2 3.89Å; F121-L125 HydrophobicContact CZ-CG 4.11Å; F121-L125 WeakPolarHBondContact O-CG 3.36Å; F121-L125 PolarHBondContact O-N 3.47Å; F121-L201 HydrophobicContact CD1-CD1 3.82Å; F121-L201 HydrophobicContact CE1-CD1 3.75Å
122T93.7Very high89.4Confident2 Ų272.6 Ų72.61%0.01237%0.368CS..Hα-helixtrans-69.2-38.2-179.6-53.70000111.6I118 K119 E120 L125 G126 L201 H205 V208I118-T122 WeakPolarHBondContact O-CB 3.47Å; I118-T122 PolarHBondContact O-N 2.97Å; I118-T122 PolarHBondContact O-OG1 3.48Å; K119-T122 PolarHBondContact O-N 3.47Å; K119-T122 VanDerWaalsContact O-N 3.16Å; E120-T122 VanDerWaalsContact C-N 3.31Å; E120-T122 PolarHBondContact O-N 3.48Å; T122-L125 PolarHBondContact O-N 2.83Å; T122-G126 PolarHBondContact O-N 3.47Å; T122-L201 HydrophobicContact CG2-CB 4.19Å; T122-H205 HydrophobicContact CG2-CB 3.74Å; T122-V208 HydrophobicContact CG2-CG1 4.12Å; T122-V208 HydrophobicContact CG2-CG2 4.22Å; T122-V208 WeakPolarHBondContact O-CG2 3.33Å
123Q93.1Very high89.8Confident83 Ų8372.4 Ų72.439%0.38838%0.375SS..Hα-helixtrans-61-43.5171.6-74174.5-27.500111.8K119 E120 L125 G126 L127 V208K119-Q123 WeakPolarHBondContact O-CG 3.42Å; K119-Q123 PolarHBondContact O-N 3.46Å; E120-Q123 PolarHBondContact O-N 2.99Å; Q123-L125 VanDerWaalsContact C-N 3.35Å; Q123-L125 PolarHBondContact O-N 3.48Å; Q123-G126 WeakPolarHBondContact O-CA 3.44Å; Q123-G126 PolarHBondContact O-N 3.02Å; Q123-G126 VanDerWaalsContact O-N 3.11Å; Q123-L127 PolarHBondContact O-N 3.47Å; Q123-V208 HydrophobicContact CG-CG1 4.28Å
124M93.6Very high90.5Very high68 Ų6864.6 Ų64.634%0.33535%0.351SS..Hα-helixtrans-63.6-38.7176.5178.3-100.2-7400112.4A108 E120 F121 G126 L127 L128A108-M124 HydrophobicContact CB-CE 3.8Å; A108-M124 HydrophobicContact CB-SD 3.38Å; A108-M124 WeakPolarHBondContact CB-SD 3.46Å; E120-M124 WeakPolarHBondContact O-CB 3.46Å; E120-M124 PolarHBondContact O-N 3.21Å; F121-M124 HydrophobicContact CD2-CE 3.59Å; F121-M124 HydrophobicContact CE2-CE 3.75Å; F121-M124 PolarHBondContact O-N 3.26Å; M124-G126 VanDerWaalsContact C-N 3.3Å; M124-G126 PolarHBondContact O-N 3.36Å; M124-L127 PolarHBondContact O-N 2.69Å; M124-L128 WeakPolarHBondContact O-CG 3.36Å; M124-L128 PolarHBondContact O-N 2.95Å; M124-L128 HydrophobicContact SD-CD1 3.77Å; M124-L128 HydrophobicContact SD-CG 4.46Å
125L95.8Very high91.4Very high0 Ų055.8 Ų55.80%031%0.314CS..Hα-helixtrans-60.1-41.8171.2-64.4175.6000111.6L105 A108 F121 T122 Q123 L128 C129 I198 L201 L202L105-L125 HydrophobicContact CD2-CB 4.13Å; L105-L125 HydrophobicContact CD2-CD2 3.68Å; A108-L125 HydrophobicContact CB-CD2 4.5Å; F121-L125 HydrophobicContact CD1-CD1 4.11Å; F121-L125 HydrophobicContact CE1-CD1 3.64Å; F121-L125 HydrophobicContact CE1-CD2 4.35Å; F121-L125 HydrophobicContact CE1-CG 4.12Å; F121-L125 HydrophobicContact CE2-CD2 4.31Å; F121-L125 HydrophobicContact CZ-CD1 4.06Å; F121-L125 HydrophobicContact CZ-CD2 3.89Å; F121-L125 HydrophobicContact CZ-CG 4.11Å; F121-L125 WeakPolarHBondContact O-CG 3.36Å; F121-L125 PolarHBondContact O-N 3.47Å; T122-L125 PolarHBondContact O-N 2.83Å; Q123-L125 VanDerWaalsContact C-N 3.35Å; Q123-L125 PolarHBondContact O-N 3.48Å; L125-L128 PolarHBondContact O-N 2.95Å; L125-C129 PolarHBondContact O-N 2.95Å; L125-C129 VanDerWaalsContact O-N 3.1Å; L125-C129 PolarHBondContact O-SG 2.75Å; L125-I198 HydrophobicContact CD1-CG2 4.13Å; L125-I198 HydrophobicContact CD2-CG2 4.27Å; L125-L201 HydrophobicContact CD1-CB 4.39Å; L125-L201 HydrophobicContact CD1-CD1 3.98Å; L125-L202 HydrophobicContact CB-CD2 4.04Å
126G94.6Very high92.6Very high0 Ų050 Ų500%028%0.277CS..Hα-helixtrans-59.5-44.4174.700000113.6T122 Q123 M124 L128 C129 Q130 V208T122-G126 PolarHBondContact O-N 3.47Å; Q123-G126 WeakPolarHBondContact O-CA 3.44Å; Q123-G126 PolarHBondContact O-N 3.02Å; Q123-G126 VanDerWaalsContact O-N 3.11Å; M124-G126 VanDerWaalsContact C-N 3.3Å; M124-G126 PolarHBondContact O-N 3.36Å; G126-L128 VanDerWaalsContact C-N 3.34Å; G126-L128 PolarHBondContact O-N 3.24Å; G126-C129 WeakPolarHBondContact O-CB 3.38Å; G126-C129 PolarHBondContact O-N 2.92Å; G126-Q130 PolarHBondContact O-N 3.33Å; G126-V208 CarbonylContact C-O 3.5Å; G126-V208 VanDerWaalsContact CA-O 3.24Å; G126-V208 WeakPolarHBondContact CA-O 3.26Å
127L94.1Very high93.5Very high125 Ų12549.4 Ų49.465%0.65427%0.268SS*.Hα-helixtrans-61.6-40.8175.1-70.3173.8000112.2Q123 M124 C129 Q130Q123-L127 PolarHBondContact O-N 3.47Å; M124-L127 PolarHBondContact O-N 2.69Å; L127-C129 VanDerWaalsContact C-N 3.28Å; L127-C129 PolarHBondContact O-N 3.01Å; L127-Q130 VanDerWaalsContact O-CB 3.26Å; L127-Q130 WeakPolarHBondContact O-CB 3.19Å; L127-Q130 PolarHBondContact O-N 3.09Å; L127-Q130 VanDerWaalsContact O-N 3.1Å
128L96.1Very high93.7Very high54 Ų5449.3 Ų49.328%0.28326%0.262SS..Hα-helixtrans-64.3-34.3176-69.8173.9000112.2L105 A108 M124 L125 G126 Q130 G131L105-L128 HydrophobicContact CD2-CB 3.72Å; L105-L128 HydrophobicContact CD2-CD1 4.02Å; L105-L128 HydrophobicContact CG-CB 4.35Å; A108-L128 HydrophobicContact CB-CD1 3.61Å; M124-L128 WeakPolarHBondContact O-CG 3.36Å; M124-L128 PolarHBondContact O-N 2.95Å; M124-L128 HydrophobicContact SD-CD1 3.77Å; M124-L128 HydrophobicContact SD-CG 4.46Å; L125-L128 PolarHBondContact O-N 2.95Å; G126-L128 VanDerWaalsContact C-N 3.34Å; G126-L128 PolarHBondContact O-N 3.24Å; L128-Q130 PolarHBondContact O-N 3Å; L128-G131 PolarHBondContact O-N 3.02Å; L128-G131 VanDerWaalsContact O-N 3.12Å
129C96.7Very high94Very high0 Ų045.7 Ų45.70%024%0.243CC..Hα-helixtrans-63.9-24.7174-70.30000113L125 G126 L127 G131 L132 L140 V209L125-C129 PolarHBondContact O-N 2.95Å; L125-C129 VanDerWaalsContact O-N 3.1Å; L125-C129 PolarHBondContact O-SG 2.75Å; G126-C129 WeakPolarHBondContact O-CB 3.38Å; G126-C129 PolarHBondContact O-N 2.92Å; L127-C129 VanDerWaalsContact C-N 3.28Å; L127-C129 PolarHBondContact O-N 3.01Å; C129-G131 PolarHBondContact O-N 2.92Å; C129-G131 VanDerWaalsContact O-N 3.14Å; C129-L132 HydrophobicContact CB-CD1 4.4Å; C129-L132 WeakPolarHBondContact O-CB 3.45Å; C129-L132 VanDerWaalsContact O-CG 3.31Å; C129-L132 WeakPolarHBondContact O-CG 3.26Å; C129-L132 PolarHBondContact O-N 3.08Å; C129-L140 HydrophobicContact CB-CD2 4.24Å; C129-V209 HydrophobicContact CB-CG1 3.94Å; C129-V209 HydrophobicContact CB-CG2 4.32Å
130Q93.8Very high94.3Very high68 Ų6838.5 Ų38.532%0.31821%0.212SC..THydrogen-bonded Turntrans-63.7-16.1174.2-57.3-61.7-25.400113G126 L127 L128 L132 V209G126-Q130 PolarHBondContact O-N 3.33Å; L127-Q130 VanDerWaalsContact O-CB 3.26Å; L127-Q130 WeakPolarHBondContact O-CB 3.19Å; L127-Q130 PolarHBondContact O-N 3.09Å; L127-Q130 VanDerWaalsContact O-N 3.1Å; L128-Q130 PolarHBondContact O-N 3Å; Q130-L132 PolarHBondContact O-N 3.25Å; Q130-V209 PolarHBondContact NE2-O 2.62Å
131G93.4Very high94.5Very high57 Ų5732.7 Ų32.759%0.58819%0.185SC*.THydrogen-bonded Turntrans-76.4-3172.800000114.8L128 C129L128-G131 PolarHBondContact O-N 3.02Å; L128-G131 VanDerWaalsContact O-N 3.12Å; C129-G131 PolarHBondContact O-N 2.92Å; C129-G131 VanDerWaalsContact O-N 3.14Å
132L95.5Very high94.6Very high11 Ų1132.2 Ų32.26%0.05818%0.183CC..SBendtrans-71.8150.5176.4-71.2168.5000111.4T98 V101 C129 Q130 N136 L137 L140T98-L132 HydrophobicContact CG2-CD2 3.91Å; V101-L132 HydrophobicContact CB-CD2 3.75Å; V101-L132 HydrophobicContact CB-CG 4.26Å; V101-L132 HydrophobicContact CG1-CD2 4.03Å; V101-L132 HydrophobicContact CG1-CG 4.1Å; V101-L132 HydrophobicContact CG2-CD2 3.68Å; V101-L132 HydrophobicContact CG2-CG 3.98Å; C129-L132 HydrophobicContact CB-CD1 4.4Å; C129-L132 WeakPolarHBondContact O-CB 3.45Å; C129-L132 VanDerWaalsContact O-CG 3.31Å; C129-L132 WeakPolarHBondContact O-CG 3.26Å; C129-L132 PolarHBondContact O-N 3.08Å; Q130-L132 PolarHBondContact O-N 3.25Å; L132-N136 HydrophobicContact CB-CB 4.18Å; L132-N136 HydrophobicContact CD2-CB 4.44Å; L132-L137 HydrophobicContact CB-CB 4.09Å; L132-L140 HydrophobicContact CD1-CB 4.47Å; L132-L140 HydrophobicContact CD1-CD2 3.52Å
133P94.6Very high94.7Very high64 Ų6432.1 Ų32.142%0.41618%0.182SC..  trans-52.6146.5164.6-22.832.5000110.7T98 L135 N136 L137T98-P133 HydrophobicContact CG2-CG 4.01Å; P133-L135 VanDerWaalsContact C-N 3.32Å; P133-L135 PolarHBondContact O-N 3.09Å; P133-N136 HydrophobicContact CB-CB 4.34Å; P133-N136 WeakPolarHBondContact O-CA 3.41Å; P133-N136 WeakPolarHBondContact O-CB 3.34Å; P133-N136 PolarHBondContact O-N 3.45Å; P133-L137 PolarHBondContact O-N 3.3Å
134S92.5Very high94.9Very high32 Ų3228.1 Ų28.122%0.22416%0.164CC..Hα-helixtrans-57.1-41.6-170.245.70000114.2N136 L137 E138 R226S134-N136 VanDerWaalsContact C-N 3.32Å; S134-N136 PolarHBondContact O-N 2.72Å; S134-L137 PolarHBondContact O-N 2.96Å; S134-E138 WeakPolarHBondContact O-CB 3.47Å; S134-E138 WeakPolarHBondContact O-CG 3.46Å; S134-E138 PolarHBondContact O-N 3.2Å; S134-R226 PolarHBondContact OG-NH1 2.97Å
135L93.9Very high94.9Very high28 Ų2826 Ų2615%0.14715%0.153CC..Hα-helixtrans-67.5-35179.1-63.7-179.5000111.9L9 H10 F14 Y26 P133 T139L9-L135 HydrophobicContact CD2-CB 4.1Å; L9-L135 HydrophobicContact CG-CB 4.47Å; H10-L135 HydrophobicContact CB-CD1 3.81Å; F14-L135 HydrophobicContact CD1-CD2 4.25Å; F14-L135 HydrophobicContact CE1-CB 4.27Å; F14-L135 HydrophobicContact CE1-CD2 3.97Å; F14-L135 HydrophobicContact CE2-CD1 4.27Å; F14-L135 HydrophobicContact CE2-CD2 4.42Å; F14-L135 HydrophobicContact CZ-CB 3.94Å; F14-L135 HydrophobicContact CZ-CD1 4.32Å; F14-L135 HydrophobicContact CZ-CD2 4.08Å; F14-L135 HydrophobicContact CZ-CG 4.34Å; Y26-L135 HydrophobicContact CD1-CD2 4.19Å; Y26-L135 HydrophobicContact CE1-CD2 4.36Å; P133-L135 VanDerWaalsContact C-N 3.32Å; P133-L135 PolarHBondContact O-N 3.09Å; L135-T139 VanDerWaalsContact O-CB 3.26Å; L135-T139 WeakPolarHBondContact O-CB 3.21Å; L135-T139 PolarHBondContact O-N 3.05Å; L135-T139 PolarHBondContact O-OG1 2.96Å
136N95.2Very high94.9Very high14 Ų1426 Ų268%0.07515%0.153CC..Hα-helixtrans-66.8-43.8174.3-69.564.2000111.1L9 P95 V96 L132 P133 S134 T139 L140L9-N136 HydrophobicContact CD2-CB 4.36Å; L9-N136 WeakPolarHBondContact CD2-OD1 3.13Å; P95-N136 PolarHBondContact O-ND2 2.91Å; V96-N136 WeakPolarHBondContact O-CB 3.42Å; V96-N136 PolarHBondContact O-ND2 3.03Å; L132-N136 HydrophobicContact CB-CB 4.18Å; L132-N136 HydrophobicContact CD2-CB 4.44Å; P133-N136 HydrophobicContact CB-CB 4.34Å; P133-N136 WeakPolarHBondContact O-CA 3.41Å; P133-N136 WeakPolarHBondContact O-CB 3.34Å; P133-N136 PolarHBondContact O-N 3.45Å; S134-N136 VanDerWaalsContact C-N 3.32Å; S134-N136 PolarHBondContact O-N 2.72Å; N136-T139 PolarHBondContact O-N 3.19Å; N136-L140 VanDerWaalsContact O-CB 3.26Å; N136-L140 WeakPolarHBondContact O-CB 3.38Å; N136-L140 PolarHBondContact O-N 3.08Å
137L94.9Very high95Very high17 Ų1726 Ų269%0.08915%0.153CC..Hα-helixtrans-61.4-49176.5179.659.7000111.4L132 P133 S134 T139 L140 M141 V209L132-L137 HydrophobicContact CB-CB 4.09Å; P133-L137 PolarHBondContact O-N 3.3Å; S134-L137 PolarHBondContact O-N 2.96Å; L137-T139 PolarHBondContact O-N 3.14Å; L137-L140 WeakPolarHBondContact O-CB 3.11Å; L137-L140 PolarHBondContact O-N 3.49Å; L137-M141 HydrophobicContact CD1-CG 4.45Å; L137-M141 HydrophobicContact CG-CE 4.32Å; L137-M141 WeakPolarHBondContact O-CG 3.36Å; L137-M141 PolarHBondContact O-N 2.89Å; L137-V209 HydrophobicContact CD1-CG1 3.56Å
138E93.5Very high95Very high48 Ų4821 Ų2122%0.22413%0.126CC..Hα-helixtrans-62.4-43.1178.4-69.4-75.4167.200112.2Y26 S134 L140 M141 F142Y26-E138 PolarHBondContact N-OE2 2.84Å; Y26-E138 CarbonylContact O-C 3.05Å; Y26-E138 WeakPolarHBondContact O-CB 3.41Å; S134-E138 WeakPolarHBondContact O-CB 3.47Å; S134-E138 WeakPolarHBondContact O-CG 3.46Å; S134-E138 PolarHBondContact O-N 3.2Å; E138-L140 VanDerWaalsContact C-N 3.34Å; E138-L140 PolarHBondContact O-N 3.11Å; E138-M141 HydrophobicContact CB-CE 4.31Å; E138-M141 HydrophobicContact CG-CE 4Å; E138-M141 PolarHBondContact O-N 3.39Å; E138-M141 WeakPolarHBondContact OE1-CE 3.15Å; E138-M141 VanDerWaalsContact OE2-CE 3.24Å; E138-M141 WeakPolarHBondContact OE2-CE 3.35Å; E138-F142 PolarHBondContact O-N 3.25Å
139T95.5Very high94.9Very high0 Ų019.5 Ų19.50%012%0.118CC..Hα-helixtrans-62.6-41.4173.8-57.10000111.2P28 L31 V96 L135 N136 L137 F142 L143P28-T139 HydrophobicContact CG-CG2 4.47Å; L31-T139 HydrophobicContact CD1-CG2 3.91Å; V96-T139 HydrophobicContact CG1-CG2 4.21Å; V96-T139 HydrophobicContact CG2-CG2 4.25Å; L135-T139 VanDerWaalsContact O-CB 3.26Å; L135-T139 WeakPolarHBondContact O-CB 3.21Å; L135-T139 PolarHBondContact O-N 3.05Å; L135-T139 PolarHBondContact O-OG1 2.96Å; N136-T139 PolarHBondContact O-N 3.19Å; L137-T139 PolarHBondContact O-N 3.14Å; T139-F142 PolarHBondContact O-N 3.17Å; T139-L143 HydrophobicContact CG2-CD1 3.91Å; T139-L143 HydrophobicContact CG2-CG 4.45Å; T139-L143 WeakPolarHBondContact O-CB 3.5Å; T139-L143 WeakPolarHBondContact O-CG 3.12Å; T139-L143 PolarHBondContact O-N 2.97Å
140L96.4Very high94.8Very high0 Ų019.5 Ų19.50%012%0.119CC..Hα-helixtrans-64-45.8176.8-179.763.6000111.3V96 I97 C129 L132 N136 L137 E138 F142 L143 L144 V209V96-L140 HydrophobicContact CG1-CB 4.02Å; I97-L140 HydrophobicContact CD1-CD1 4.29Å; I97-L140 HydrophobicContact CG1-CD1 4.22Å; I97-L140 HydrophobicContact CG1-CD2 4.29Å; C129-L140 HydrophobicContact CB-CD2 4.24Å; L132-L140 HydrophobicContact CD1-CB 4.47Å; L132-L140 HydrophobicContact CD1-CD2 3.52Å; N136-L140 VanDerWaalsContact O-CB 3.26Å; N136-L140 WeakPolarHBondContact O-CB 3.38Å; N136-L140 PolarHBondContact O-N 3.08Å; L137-L140 WeakPolarHBondContact O-CB 3.11Å; L137-L140 PolarHBondContact O-N 3.49Å; E138-L140 VanDerWaalsContact C-N 3.34Å; E138-L140 PolarHBondContact O-N 3.11Å; L140-F142 VanDerWaalsContact C-N 3.33Å; L140-F142 PolarHBondContact O-N 3.2Å; L140-L143 PolarHBondContact O-N 2.9Å; L140-L144 HydrophobicContact CD1-CD1 4.11Å; L140-L144 HydrophobicContact CD1-CD2 4.33Å; L140-L144 HydrophobicContact CD1-CG 3.95Å; L140-L144 HydrophobicContact CD2-CD1 4.46Å; L140-L144 HydrophobicContact CG-CD1 3.89Å; L140-L144 HydrophobicContact CG-CG 4.15Å; L140-L144 WeakPolarHBondContact O-CB 3.34Å; L140-L144 VanDerWaalsContact O-CG 3.27Å; L140-L144 WeakPolarHBondContact O-CG 3.42Å; L140-L144 PolarHBondContact O-N 3.31Å; L140-V209 HydrophobicContact CD2-CG1 4.4Å
141M94.2Very high94.9Very high5 Ų517.2 Ų17.23%0.02511%0.109CC..Hα-helixtrans-56.8-47.5176.8-74.5-170.8-61.900111.4L137 E138 L143 L144 K145 V209 F210L137-M141 HydrophobicContact CD1-CG 4.45Å; L137-M141 HydrophobicContact CG-CE 4.32Å; L137-M141 WeakPolarHBondContact O-CG 3.36Å; L137-M141 PolarHBondContact O-N 2.89Å; E138-M141 HydrophobicContact CB-CE 4.31Å; E138-M141 HydrophobicContact CG-CE 4Å; E138-M141 PolarHBondContact O-N 3.39Å; E138-M141 WeakPolarHBondContact OE1-CE 3.15Å; E138-M141 VanDerWaalsContact OE2-CE 3.24Å; E138-M141 WeakPolarHBondContact OE2-CE 3.35Å; M141-L143 PolarHBondContact O-N 3.18Å; M141-L144 PolarHBondContact O-N 2.9Å; M141-K145 PolarHBondContact O-N 3.11Å; M141-V209 HydrophobicContact CG-CB 4.45Å; M141-V209 HydrophobicContact CG-CG1 3.86Å; M141-F210 HydrophobicContact CB-CE1 3.98Å; M141-F210 HydrophobicContact CG-CD1 4.23Å; M141-F210 HydrophobicContact CG-CE1 4.03Å; M141-F210 HydrophobicContact SD-CD1 3.51Å; M141-F210 VanDerWaalsContact SD-CD1 3.51Å; M141-F210 HydrophobicContact SD-CE1 3.85Å
142F95.3Very high94.9Very high0 Ų021.2 Ų21.20%011%0.11CC..Hα-helixtrans-57.9-47.9175.4172.4-98.8000112.2C17 F19 A25 A27 L31 V32 F35 E138 T139 L140 K145 S146 I279C17-F142 WeakPolarHBondContact SG-CD2 3.49Å; F19-F142 AromaticContact CE2-CD2 3.99Å; F19-F142 HydrophobicContact CE2-CD2 3.99Å; F19-F142 AromaticContact CZ-CD2 3.55Å; F19-F142 HydrophobicContact CZ-CD2 3.55Å; F19-F142 AromaticContact CZ-CE2 3.89Å; F19-F142 HydrophobicContact CZ-CE2 3.89Å; F19-F142 HydrophobicContact CZ-CG 4.41Å; A25-F142 HydrophobicContact CB-CB 4.02Å; A27-F142 HydrophobicContact CB-CB 3.67Å; A27-F142 HydrophobicContact CB-CD1 3.71Å; A27-F142 HydrophobicContact CB-CD2 3.96Å; A27-F142 HydrophobicContact CB-CE1 4.39Å; A27-F142 HydrophobicContact CB-CG 3.47Å; A27-F142 VanDerWaalsContact CB-CG 3.47Å; L31-F142 HydrophobicContact CB-CD1 4.44Å; L31-F142 HydrophobicContact CB-CE1 3.9Å; V32-F142 HydrophobicContact CB-CZ 4.38Å; V32-F142 HydrophobicContact CG2-CD2 4.47Å; V32-F142 HydrophobicContact CG2-CE2 3.95Å; V32-F142 HydrophobicContact CG2-CZ 3.99Å; F35-F142 HydrophobicContact CB-CE1 4.35Å; F35-F142 HydrophobicContact CB-CZ 3.87Å; F35-F142 AromaticContact CD2-CE1 3.68Å; F35-F142 HydrophobicContact CD2-CE1 3.68Å; F35-F142 HydrophobicContact CD2-CZ 4.1Å; F35-F142 HydrophobicContact CE2-CE1 4.31Å; F35-F142 HydrophobicContact CG-CE1 4.23Å; F35-F142 HydrophobicContact CG-CZ 4.23Å; E138-F142 PolarHBondContact O-N 3.25Å; T139-F142 PolarHBondContact O-N 3.17Å; L140-F142 VanDerWaalsContact C-N 3.33Å; L140-F142 PolarHBondContact O-N 3.2Å; F142-K145 PolarHBondContact O-N 3.08Å; F142-S146 WeakPolarHBondContact O-CB 3.33Å; F142-S146 PolarHBondContact O-N 3.14Å; F142-S146 PolarHBondContact O-OG 3.21Å; F142-I279 HydrophobicContact CE2-CD1 4.4Å
143L96.9Very high94.9Very high0 Ų023.1 Ų23.10%012%0.118CC..Hα-helixtrans-64.5-45-179.9-72.5169.1000111.7L31 F35 L89 V96 T139 L140 M141 K145 S146 F147 L172L31-L143 HydrophobicContact CD1-CD2 4.21Å; F35-L143 HydrophobicContact CE2-CD2 3.62Å; F35-L143 HydrophobicContact CZ-CD2 4.02Å; L89-L143 HydrophobicContact CD2-CD1 4.05Å; V96-L143 HydrophobicContact CG1-CD1 4.39Å; V96-L143 HydrophobicContact CG2-CD1 4.29Å; T139-L143 HydrophobicContact CG2-CD1 3.91Å; T139-L143 HydrophobicContact CG2-CG 4.45Å; T139-L143 WeakPolarHBondContact O-CB 3.5Å; T139-L143 WeakPolarHBondContact O-CG 3.12Å; T139-L143 PolarHBondContact O-N 2.97Å; L140-L143 PolarHBondContact O-N 2.9Å; M141-L143 PolarHBondContact O-N 3.18Å; L143-K145 PolarHBondContact O-N 3.22Å; L143-S146 PolarHBondContact O-N 3.22Å; L143-F147 HydrophobicContact CB-CD2 4.35Å; L143-F147 HydrophobicContact CB-CE2 3.83Å; L143-F147 HydrophobicContact CB-CZ 4.4Å; L143-F147 HydrophobicContact CD2-CE2 4.33Å; L143-F147 HydrophobicContact CD2-CZ 4.06Å; L143-F147 WeakPolarHBondContact O-CB 3.47Å; L143-F147 WeakPolarHBondContact O-CD2 3.44Å; L143-F147 WeakPolarHBondContact O-CG 3.25Å; L143-F147 PolarHBondContact O-N 3.07Å; L143-L172 HydrophobicContact CD1-CD2 3.69Å
144L96.4Very high94.8Very high0 Ų022 Ų220%011%0.112CC..Hα-helixtrans-62.2-43179-69.8177.6000111.9L140 M141 N148 L199 L202 I203 P206 V209L140-L144 HydrophobicContact CD1-CD1 4.11Å; L140-L144 HydrophobicContact CD1-CD2 4.33Å; L140-L144 HydrophobicContact CD1-CG 3.95Å; L140-L144 HydrophobicContact CD2-CD1 4.46Å; L140-L144 HydrophobicContact CG-CD1 3.89Å; L140-L144 HydrophobicContact CG-CG 4.15Å; L140-L144 WeakPolarHBondContact O-CB 3.34Å; L140-L144 VanDerWaalsContact O-CG 3.27Å; L140-L144 WeakPolarHBondContact O-CG 3.42Å; L140-L144 PolarHBondContact O-N 3.31Å; M141-L144 PolarHBondContact O-N 2.9Å; L144-N148 VanDerWaalsContact O-CB 3.24Å; L144-N148 WeakPolarHBondContact O-CB 3.36Å; L144-N148 PolarHBondContact O-N 3.34Å; L144-L199 HydrophobicContact CD2-CD1 3.86Å; L144-L202 HydrophobicContact CD1-CB 4.02Å; L144-L202 HydrophobicContact CD2-CB 3.78Å; L144-I203 HydrophobicContact CD2-CG1 3.9Å; L144-P206 HydrophobicContact CB-CB 4.09Å; L144-V209 HydrophobicContact CD1-CB 4.21Å; L144-V209 HydrophobicContact CD1-CG1 4.49Å; L144-V209 HydrophobicContact CD1-CG2 3.65Å
145K94.1Very high94.9Very high24 Ų2432 Ų3210%0.10415%0.145CC..Hα-helixtrans-63.4-44.3174-80.6-80.4179.2176.10112.2F19 D21 M141 F142 L143 N148 L149 P206 F210F19-K145 HydrophobicContact CD1-CB 4.12Å; F19-K145 HydrophobicContact CD2-CB 4.16Å; F19-K145 HydrophobicContact CD2-CG 4.3Å; F19-K145 HydrophobicContact CE1-CB 3.65Å; F19-K145 HydrophobicContact CE2-CB 3.7Å; F19-K145 HydrophobicContact CE2-CG 4.15Å; F19-K145 HydrophobicContact CG-CB 4.35Å; F19-K145 HydrophobicContact CZ-CB 3.42Å; F19-K145 VanDerWaalsContact CZ-CB 3.42Å; F19-K145 HydrophobicContact CZ-CG 4.35Å; D21-K145 IonicContact OD1-NZ 3.48Å; D21-K145 IonicContact OD2-NZ 2.75Å; D21-K145 PolarHBondContact OD2-NZ 3.41Å; M141-K145 PolarHBondContact O-N 3.11Å; F142-K145 PolarHBondContact O-N 3.08Å; L143-K145 PolarHBondContact O-N 3.22Å; K145-N148 WeakPolarHBondContact O-CB 3.33Å; K145-N148 PolarHBondContact O-N 2.82Å; K145-L149 PolarHBondContact O-N 2.92Å; K145-P206 HydrophobicContact CD-CB 4.41Å; K145-P206 HydrophobicContact CD-CG 4.31Å; K145-P206 HydrophobicContact CG-CB 4.39Å; K145-F210 HydrophobicContact CD-CE2 4.45Å; K145-F210 HydrophobicContact CD-CZ 3.99Å; K145-F210 HydrophobicContact CG-CE1 4.46Å; K145-F210 HydrophobicContact CG-CZ 3.67Å
146S95Very high94.9Very high0 Ų033.7 Ų33.70%016%0.156CC..Hα-helixtrans-63.8-43178.7-58.50000111.9F35 F142 L143 L149 V150F35-S146 VanDerWaalsContact CD1-CB 3.44Å; F142-S146 WeakPolarHBondContact O-CB 3.33Å; F142-S146 PolarHBondContact O-N 3.14Å; F142-S146 PolarHBondContact O-OG 3.21Å; L143-S146 PolarHBondContact O-N 3.22Å; S146-L149 WeakPolarHBondContact O-CB 3.36Å; S146-L149 PolarHBondContact O-N 3.3Å; S146-V150 WeakPolarHBondContact O-CG2 3.26Å; S146-V150 PolarHBondContact O-N 3.01Å
147F96.6Very high94.8Very high0 Ų033 Ų330%015%0.153CC..Hα-helixtrans-66.7-41.1174.3-65.7-35.7000112.5F35 F49 L143 L149 V150 T151 L164 M168 L172 I203F35-F147 HydrophobicContact CE1-CD1 4.16Å; F35-F147 AromaticContact CE1-CE1 3.98Å; F35-F147 HydrophobicContact CE1-CE1 3.98Å; F35-F147 HydrophobicContact CZ-CD1 4.15Å; F35-F147 AromaticContact CZ-CE1 3.54Å; F35-F147 HydrophobicContact CZ-CE1 3.54Å; F35-F147 HydrophobicContact CZ-CZ 4.08Å; F49-F147 HydrophobicContact CE1-CE1 4.44Å; F49-F147 HydrophobicContact CZ-CE1 4.24Å; L143-F147 HydrophobicContact CB-CD2 4.35Å; L143-F147 HydrophobicContact CB-CE2 3.83Å; L143-F147 HydrophobicContact CB-CZ 4.4Å; L143-F147 HydrophobicContact CD2-CE2 4.33Å; L143-F147 HydrophobicContact CD2-CZ 4.06Å; L143-F147 WeakPolarHBondContact O-CB 3.47Å; L143-F147 WeakPolarHBondContact O-CD2 3.44Å; L143-F147 WeakPolarHBondContact O-CG 3.25Å; L143-F147 PolarHBondContact O-N 3.07Å; F147-L149 VanDerWaalsContact C-N 3.27Å; F147-L149 PolarHBondContact O-N 2.78Å; F147-V150 PolarHBondContact O-N 3.45Å; F147-T151 VanDerWaalsContact O-CG2 3.3Å; F147-T151 WeakPolarHBondContact O-CG2 3.38Å; F147-T151 PolarHBondContact O-N 3.43Å; F147-T151 PolarHBondContact O-OG1 3.34Å; F147-L164 HydrophobicContact CB-CD2 3.63Å; F147-L164 HydrophobicContact CD1-CD1 4.34Å; F147-L164 HydrophobicContact CD1-CD2 3.85Å; F147-L164 HydrophobicContact CD1-CG 4.32Å; F147-L164 HydrophobicContact CG-CD2 3.94Å; F147-M168 HydrophobicContact CE1-CE 3.94Å; F147-M168 HydrophobicContact CE1-CG 4.04Å; F147-M168 HydrophobicContact CE1-SD 4.45Å; F147-M168 HydrophobicContact CE2-CE 4.44Å; F147-M168 HydrophobicContact CE2-CG 4.42Å; F147-M168 HydrophobicContact CZ-CB 4.42Å; F147-M168 HydrophobicContact CZ-CE 3.47Å; F147-M168 VanDerWaalsContact CZ-CE 3.47Å; F147-M168 HydrophobicContact CZ-CG 3.94Å; F147-M168 HydrophobicContact CZ-SD 4.39Å; F147-L172 HydrophobicContact CE2-CD1 3.97Å; F147-I203 HydrophobicContact CB-CD1 3.99Å; F147-I203 HydrophobicContact CB-CG1 3.95Å; F147-I203 HydrophobicContact CB-CG2 4.09Å; F147-I203 HydrophobicContact CD2-CD1 4.14Å; F147-I203 HydrophobicContact CD2-CG1 4.29Å; F147-I203 HydrophobicContact CG-CD1 4.32Å
148N95.2Very high94.7Very high19 Ų1938.8 Ų38.810%0.10217%0.173CC..Hα-helixtrans-56-46.4174.3-178.3-95.5000110.3L144 K145 V150 T151 K152 I203 P206L144-N148 VanDerWaalsContact O-CB 3.24Å; L144-N148 WeakPolarHBondContact O-CB 3.36Å; L144-N148 PolarHBondContact O-N 3.34Å; K145-N148 WeakPolarHBondContact O-CB 3.33Å; K145-N148 PolarHBondContact O-N 2.82Å; N148-V150 PolarHBondContact O-N 2.86Å; N148-T151 PolarHBondContact O-N 2.79Å; N148-T151 VanDerWaalsContact O-N 3.13Å; N148-T151 PolarHBondContact O-OG1 3.38Å; N148-K152 PolarHBondContact O-N 3.14Å; N148-K152 WeakPolarHBondContact OD1-CE 3.36Å; N148-K152 PolarHBondContact OD1-NZ 2.82Å; N148-I203 WeakPolarHBondContact CB-O 3.3Å; N148-I203 PolarHBondContact ND2-O 3.48Å; N148-P206 HydrophobicContact CB-CG 4.13Å
149L93.6Very high94.8Very high22 Ų2236.5 Ų36.512%0.11516%0.163CC..Hα-helixtrans-58.1-49.4175.6-176.961.3000111.9T39 K145 S146 F147 T151 K152 F153 Y278T39-L149 HydrophobicContact CG2-CD2 3.52Å; T39-L149 HydrophobicContact CG2-CG 4.45Å; K145-L149 PolarHBondContact O-N 2.92Å; S146-L149 WeakPolarHBondContact O-CB 3.36Å; S146-L149 PolarHBondContact O-N 3.3Å; F147-L149 VanDerWaalsContact C-N 3.27Å; F147-L149 PolarHBondContact O-N 2.78Å; L149-T151 PolarHBondContact O-N 3.39Å; L149-K152 WeakPolarHBondContact O-CB 3.44Å; L149-K152 PolarHBondContact O-N 2.75Å; L149-K152 VanDerWaalsContact O-N 3.08Å; L149-F153 HydrophobicContact CD1-CD2 4.46Å; L149-F153 HydrophobicContact CD1-CE2 3.89Å; L149-F153 WeakPolarHBondContact O-CD2 3.21Å; L149-Y278 HydrophobicContact CD1-CD1 4.11Å; L149-Y278 HydrophobicContact CD2-CD1 4.33Å; L149-Y278 HydrophobicContact CD2-CG 4.11Å
150V94.9Very high94.8Very high1 Ų139.3 Ų39.31%0.00618%0.18CC..Hα-helixtrans-53.9-42.7174.8173.60000111.5I43 L48 F49 S146 F147 N148 K152 F153 N157 V159 L164I43-V150 HydrophobicContact CD1-CB 4.35Å; I43-V150 HydrophobicContact CD1-CG2 3.86Å; L48-V150 HydrophobicContact CD1-CG1 4.26Å; F49-V150 HydrophobicContact CE2-CG2 4.47Å; S146-V150 WeakPolarHBondContact O-CG2 3.26Å; S146-V150 PolarHBondContact O-N 3.01Å; F147-V150 PolarHBondContact O-N 3.45Å; N148-V150 PolarHBondContact O-N 2.86Å; V150-K152 PolarHBondContact O-N 3.06Å; V150-F153 PolarHBondContact O-N 3.4Å; V150-N157 PolarHBondContact O-ND2 3.44Å; V150-V159 HydrophobicContact CG1-CB 4.27Å; V150-V159 HydrophobicContact CG1-CG1 4.11Å; V150-L164 HydrophobicContact CB-CD2 4.5Å; V150-L164 HydrophobicContact CG1-CD2 4.45Å
151T95.5Very high94.8Very high19 Ų1940.1 Ų40.112%0.11719%0.186CC..Hα-helixtrans-72.9-24.1-178.765.10000114F147 N148 L149 F153 S154 L164 I203F147-T151 VanDerWaalsContact O-CG2 3.3Å; F147-T151 WeakPolarHBondContact O-CG2 3.38Å; F147-T151 PolarHBondContact O-N 3.43Å; F147-T151 PolarHBondContact O-OG1 3.34Å; N148-T151 PolarHBondContact O-N 2.79Å; N148-T151 VanDerWaalsContact O-N 3.13Å; N148-T151 PolarHBondContact O-OG1 3.38Å; L149-T151 PolarHBondContact O-N 3.39Å; T151-F153 PolarHBondContact O-N 2.69Å; T151-S154 WeakPolarHBondContact O-CB 3.33Å; T151-S154 PolarHBondContact O-N 2.82Å; T151-S154 PolarHBondContact O-OG 3.03Å; T151-L164 HydrophobicContact CG2-CB 4.48Å; T151-L164 HydrophobicContact CG2-CD2 3.73Å; T151-I203 HydrophobicContact CG2-CG2 4.07Å
152K94.4Very high95Very high142 Ų14245 Ų4562%0.61720%0.204SC*.Hα-helixtrans-62.6-29.5171.4-73.9175172.7170.30111.7N148 L149 V150 S154N148-K152 PolarHBondContact O-N 3.14Å; N148-K152 WeakPolarHBondContact OD1-CE 3.36Å; N148-K152 PolarHBondContact OD1-NZ 2.82Å; L149-K152 WeakPolarHBondContact O-CB 3.44Å; L149-K152 PolarHBondContact O-N 2.75Å; L149-K152 VanDerWaalsContact O-N 3.08Å; V150-K152 PolarHBondContact O-N 3.06Å; K152-S154 VanDerWaalsContact C-N 3.29Å; K152-S154 PolarHBondContact O-N 3.19Å
153F94.3Very high95Very high51 Ų5149.2 Ų49.222%0.22422%0.222CC..THydrogen-bonded Turntrans-8917.6174.1-69.7-92.5000113.7I43 L149 V150 T151 R155 T156 N157I43-F153 HydrophobicContact CD1-CD2 4.21Å; I43-F153 HydrophobicContact CG1-CB 4.11Å; I43-F153 HydrophobicContact CG1-CD1 4.34Å; I43-F153 HydrophobicContact CG1-CD2 3.51Å; I43-F153 HydrophobicContact CG1-CE2 3.97Å; I43-F153 HydrophobicContact CG1-CG 3.73Å; I43-F153 HydrophobicContact CG2-CD1 4.39Å; I43-F153 HydrophobicContact CG2-CE1 4.44Å; L149-F153 HydrophobicContact CD1-CD2 4.46Å; L149-F153 HydrophobicContact CD1-CE2 3.89Å; L149-F153 WeakPolarHBondContact O-CD2 3.21Å; V150-F153 PolarHBondContact O-N 3.4Å; T151-F153 PolarHBondContact O-N 2.69Å; F153-R155 PolarHBondContact O-N 3.31Å; F153-T156 PolarHBondContact O-N 3.4Å; F153-T156 PolarHBondContact O-OG1 3.1Å; F153-N157 WeakPolarHBondContact CB-ND2 3.4Å; F153-N157 PolarHBondContact O-N 3.49Å; F153-N157 PolarHBondContact O-ND2 3.29Å; F153-N157 PolarHBondContact O-OD1 3.05Å; F153-N157 VanDerWaalsContact O-OD1 3.14Å
154S93.7Very high95Very high41 Ų4149.2 Ų49.229%0.28722%0.222SC..Hα-helixtrans-54.6-26.1-178.356.80000115.2T151 K152 N157 R158 V159T151-S154 WeakPolarHBondContact O-CB 3.33Å; T151-S154 PolarHBondContact O-N 2.82Å; T151-S154 PolarHBondContact O-OG 3.03Å; K152-S154 VanDerWaalsContact C-N 3.29Å; K152-S154 PolarHBondContact O-N 3.19Å; S154-N157 VanDerWaalsContact CA-OD1 3.25Å; S154-N157 WeakPolarHBondContact CA-OD1 3.32Å; S154-R158 WeakPolarHBondContact O-CA 3.5Å; S154-R158 PolarHBondContact O-N 3.34Å; S154-V159 WeakPolarHBondContact CB-O 3.15Å
155R93.4Very high95.1Very high241 Ų24149.2 Ų49.291%0.90922%0.223SC*.Hα-helixtrans-65.3-37175.4-68.5-176.1178.8169.8-0.1112.6F153F153-R155 PolarHBondContact O-N 3.31Å
156T93.2Very high95.2Very high64 Ų6455.4 Ų55.439%0.39325%0.245SC..Hα-helixtrans-92.4-49.6-178.9540000111.1N44 F153N44-T156 WeakPolarHBondContact OD1-CB 3.32Å; N44-T156 PolarHBondContact OD1-OG1 2.99Å; F153-T156 PolarHBondContact O-N 3.4Å; F153-T156 PolarHBondContact O-OG1 3.1Å
157N93.3Very high95.2Very high0 Ų059.3 Ų59.30%026%0.263CS..Hα-helixtrans-86-9.5-175.768.927.8000114.6I43 T45 K46 D47 V150 F153 S154 V159I43-N157 WeakPolarHBondContact O-CB 3.33Å; I43-N157 PolarHBondContact O-ND2 2.92Å; T45-N157 WeakPolarHBondContact O-CB 3.44Å; K46-N157 CarbonylContact C-O 3.54Å; K46-N157 WeakPolarHBondContact CA-O 3.24Å; D47-N157 PolarHBondContact N-O 3.44Å; V150-N157 PolarHBondContact O-ND2 3.44Å; F153-N157 WeakPolarHBondContact CB-ND2 3.4Å; F153-N157 PolarHBondContact O-N 3.49Å; F153-N157 PolarHBondContact O-ND2 3.29Å; F153-N157 PolarHBondContact O-OD1 3.05Å; F153-N157 VanDerWaalsContact O-OD1 3.14Å; S154-N157 VanDerWaalsContact CA-OD1 3.25Å; S154-N157 WeakPolarHBondContact CA-OD1 3.32Å; N157-V159 HydrophobicContact CB-CG2 4.36Å; N157-V159 WeakPolarHBondContact O-CG2 3.49Å; N157-V159 PolarHBondContact O-N 3.27Å; N157-V159 WeakPolarHBondContact OD1-CB 3.47Å; N157-V159 PolarHBondContact OD1-N 3.47Å
158R93.7Very high95.2Very high137 Ų13759.3 Ų59.352%0.51726%0.263SS..  trans64.114.1179.7-52.9179.1171.1-168.2-6.3115.4S154 K163S154-R158 WeakPolarHBondContact O-CA 3.5Å; S154-R158 PolarHBondContact O-N 3.34Å; R158-K163 PolarHBondContact O-NZ 3.14Å
159V95.2Very high95.3Very high0 Ų058.4 Ų58.40%026%0.258CS..  trans-96.996.7-179.3-175.80000110.7L48 I50 V150 S154 N157 L164L48-V159 HydrophobicContact CB-CG2 4.12Å; L48-V159 WeakPolarHBondContact O-CG2 3.43Å; I50-V159 HydrophobicContact CD1-CB 4.41Å; I50-V159 HydrophobicContact CD1-CG1 4.13Å; I50-V159 HydrophobicContact CD1-CG2 4.01Å; V150-V159 HydrophobicContact CG1-CB 4.27Å; V150-V159 HydrophobicContact CG1-CG1 4.11Å; S154-V159 WeakPolarHBondContact CB-O 3.15Å; N157-V159 HydrophobicContact CB-CG2 4.36Å; N157-V159 WeakPolarHBondContact O-CG2 3.49Å; N157-V159 PolarHBondContact O-N 3.27Å; N157-V159 WeakPolarHBondContact OD1-CB 3.47Å; N157-V159 PolarHBondContact OD1-N 3.47Å; V159-L164 HydrophobicContact CG1-CB 3.79Å; V159-L164 HydrophobicContact CG1-CD1 4.19Å; V159-L164 HydrophobicContact CG1-CD2 4.31Å; V159-L164 HydrophobicContact CG1-CG 4.33Å
160T96.3Very high95.4Very high60 Ų6058.9 Ų58.937%0.36826%0.263SS..  trans-76.7154.8170.564.10000111.2R162 K163 L164T160-R162 PolarHBondContact O-N 3.5Å; T160-K163 PolarHBondContact O-N 2.88Å; T160-K163 WeakPolarHBondContact OG1-CG 3.2Å; T160-K163 PolarHBondContact OG1-N 3.27Å; T160-L164 PolarHBondContact O-N 2.91Å
161S96.7Very high95.5Very high17 Ų1760.5 Ų60.512%0.11927%0.27CS..Hα-helixtrans-50-41.9172.958.30000112.9L164 A165 Q204S161-L164 PolarHBondContact O-N 3.06Å; S161-A165 WeakPolarHBondContact O-CB 3.46Å; S161-A165 PolarHBondContact O-N 3.43Å; S161-Q204 PolarHBondContact OG-NE2 3.36Å; S161-Q204 VanDerWaalsContact OG-NE2 3.13Å
162R96.9Very high95.6Very high106 Ų10659.6 Ų59.640%0.427%0.265SS..Hα-helixtrans-61.4-45.5177.4-176.9-179.3-70.6178.8-1.2113T160 R166 M200T160-R162 PolarHBondContact O-N 3.5Å; R162-R166 VanDerWaalsContact O-CG 3.31Å; R162-R166 WeakPolarHBondContact O-CG 3.36Å; R162-R166 PolarHBondContact O-N 3.11Å; R162-M200 HydrophobicContact CB-CG 4.49Å; R162-M200 HydrophobicContact CB-SD 3.85Å; R162-M200 HydrophobicContact CG-SD 4.19Å
163K96.4Very high95.7Very high89 Ų8952.8 Ų52.839%0.38724%0.235SC..Hα-helixtrans-67.6-45.9178.8-72-177.8-173.2177.20110.7I50 R158 T160 R166 Q167I50-K163 HydrophobicContact CD1-CB 3.63Å; I50-K163 HydrophobicContact CD1-CD 3.84Å; I50-K163 HydrophobicContact CD1-CG 4.37Å; I50-K163 HydrophobicContact CG1-CB 4.48Å; R158-K163 PolarHBondContact O-NZ 3.14Å; T160-K163 PolarHBondContact O-N 2.88Å; T160-K163 WeakPolarHBondContact OG1-CG 3.2Å; T160-K163 PolarHBondContact OG1-N 3.27Å; K163-R166 PolarHBondContact O-N 2.91Å; K163-Q167 PolarHBondContact O-N 2.8Å
164L97Very high95.7Very high0 Ų051.1 Ų51.10%023%0.233CC..Hα-helixtrans-61.3-46.7179.2-173.657.7000111.4F49 F147 V150 T151 V159 T160 S161 R166 Q167 M168 I203F49-L164 HydrophobicContact CB-CD1 3.72Å; F49-L164 HydrophobicContact CD2-CD1 3.78Å; F49-L164 HydrophobicContact CG-CD1 3.9Å; F147-L164 HydrophobicContact CB-CD2 3.63Å; F147-L164 HydrophobicContact CD1-CD1 4.34Å; F147-L164 HydrophobicContact CD1-CD2 3.85Å; F147-L164 HydrophobicContact CD1-CG 4.32Å; F147-L164 HydrophobicContact CG-CD2 3.94Å; V150-L164 HydrophobicContact CB-CD2 4.5Å; V150-L164 HydrophobicContact CG1-CD2 4.45Å; T151-L164 HydrophobicContact CG2-CB 4.48Å; T151-L164 HydrophobicContact CG2-CD2 3.73Å; V159-L164 HydrophobicContact CG1-CB 3.79Å; V159-L164 HydrophobicContact CG1-CD1 4.19Å; V159-L164 HydrophobicContact CG1-CD2 4.31Å; V159-L164 HydrophobicContact CG1-CG 4.33Å; T160-L164 PolarHBondContact O-N 2.91Å; S161-L164 PolarHBondContact O-N 3.06Å; L164-R166 VanDerWaalsContact C-N 3.32Å; L164-R166 PolarHBondContact O-N 3.33Å; L164-Q167 PolarHBondContact O-N 2.67Å; L164-Q167 VanDerWaalsContact O-N 3.09Å; L164-M168 HydrophobicContact CD1-CG 3.82Å; L164-M168 HydrophobicContact CG-CG 4.27Å; L164-M168 WeakPolarHBondContact O-CG 3.45Å; L164-M168 PolarHBondContact O-N 3.4Å; L164-I203 HydrophobicContact CD2-CD1 4.45Å; L164-I203 HydrophobicContact CG-CD1 4.43Å
165A97.8Very high95.6Very high1 Ų155.9 Ų55.91%0.00825%0.248CC..Hα-helixtrans-62.6-36.7179.400000113S161 Q167 A169 A196 L199 M200 I203S161-A165 WeakPolarHBondContact O-CB 3.46Å; S161-A165 PolarHBondContact O-N 3.43Å; A165-Q167 VanDerWaalsContact C-N 3.3Å; A165-Q167 PolarHBondContact O-N 3.47Å; A165-A169 WeakPolarHBondContact O-CB 3.4Å; A165-A169 PolarHBondContact O-N 3.21Å; A165-A196 VanDerWaalsContact CB-O 3.24Å; A165-A196 WeakPolarHBondContact CB-O 3.46Å; A165-L199 HydrophobicContact CB-CB 4.05Å; A165-L199 HydrophobicContact CB-CD2 4.29Å; A165-L199 HydrophobicContact CB-CG 4.05Å; A165-M200 HydrophobicContact CB-CB 3.75Å; A165-I203 HydrophobicContact CB-CD1 4.19Å
166R96.5Very high95.4Very high153 Ų15347 Ų4758%0.57722%0.217SC*.Hα-helixtrans-63.5-35.9174.2-74.8174.7-173176.61112.6R162 K163 L164 A196R162-R166 VanDerWaalsContact O-CG 3.31Å; R162-R166 WeakPolarHBondContact O-CG 3.36Å; R162-R166 PolarHBondContact O-N 3.11Å; K163-R166 PolarHBondContact O-N 2.91Å; L164-R166 VanDerWaalsContact C-N 3.32Å; L164-R166 PolarHBondContact O-N 3.33Å; R166-A196 HydrophobicContact CB-CB 4.43Å; R166-A196 HydrophobicContact CG-CB 3.88Å
167Q95.4Very high95Very high82 Ų8252.9 Ų52.938%0.38324%0.24SC..Hα-helixtrans-78.5-40.9178.3-65-62.7-300112.1I50 K163 L164 A165 P170 H171I50-Q167 HydrophobicContact CG1-CG 3.97Å; K163-Q167 PolarHBondContact O-N 2.8Å; L164-Q167 PolarHBondContact O-N 2.67Å; L164-Q167 VanDerWaalsContact O-N 3.09Å; A165-Q167 VanDerWaalsContact C-N 3.3Å; A165-Q167 PolarHBondContact O-N 3.47Å; Q167-P170 WeakPolarHBondContact O-CD 3.48Å; Q167-H171 PolarHBondContact O-CD2 3.39Å
168M97Very high94.2Very high0 Ų057.2 Ų57.20%027%0.269CS..Hα-helixtrans-85.7-20.4-173.6-63.6-50.8-68.500114.1F49 T86 L89 F147 L164 H171 L172 L199F49-M168 HydrophobicContact CB-SD 4.3Å; F49-M168 HydrophobicContact CD1-CE 4.33Å; F49-M168 HydrophobicContact CD1-SD 3.71Å; F49-M168 HydrophobicContact CE1-CE 4.45Å; F49-M168 HydrophobicContact CE1-SD 4.38Å; F49-M168 HydrophobicContact CG-SD 4.23Å; T86-M168 HydrophobicContact CG2-CE 3.94Å; T86-M168 HydrophobicContact CG2-SD 3.84Å; L89-M168 HydrophobicContact CD1-CE 3.69Å; F147-M168 HydrophobicContact CE1-CE 3.94Å; F147-M168 HydrophobicContact CE1-CG 4.04Å; F147-M168 HydrophobicContact CE1-SD 4.45Å; F147-M168 HydrophobicContact CE2-CE 4.44Å; F147-M168 HydrophobicContact CE2-CG 4.42Å; F147-M168 HydrophobicContact CZ-CB 4.42Å; F147-M168 HydrophobicContact CZ-CE 3.47Å; F147-M168 VanDerWaalsContact CZ-CE 3.47Å; F147-M168 HydrophobicContact CZ-CG 3.94Å; F147-M168 HydrophobicContact CZ-SD 4.39Å; L164-M168 HydrophobicContact CD1-CG 3.82Å; L164-M168 HydrophobicContact CG-CG 4.27Å; L164-M168 WeakPolarHBondContact O-CG 3.45Å; L164-M168 PolarHBondContact O-N 3.4Å; M168-H171 PolarHBondContact O-N 2.78Å; M168-H171 VanDerWaalsContact O-N 3.11Å; M168-L172 HydrophobicContact CB-CD1 4.49Å; M168-L172 PolarHBondContact O-N 2.86Å; M168-L172 VanDerWaalsContact O-N 3.08Å; M168-L199 HydrophobicContact CB-CD2 3.92Å
169A97.2Very high93.7Very high0 Ų052.7 Ų52.70%027%0.265CS..Hα-helixtrans-57.1-45.4-177.800000114.3A165 H171 L172 F173 K195 A196 L199A165-A169 WeakPolarHBondContact O-CB 3.4Å; A165-A169 PolarHBondContact O-N 3.21Å; A169-H171 PolarHBondContact O-N 3.11Å; A169-L172 PolarHBondContact O-N 2.99Å; A169-F173 HydrophobicContact CB-CD2 4.31Å; A169-F173 WeakPolarHBondContact O-CB 3.37Å; A169-F173 WeakPolarHBondContact O-CD2 3.48Å; A169-F173 PolarHBondContact O-N 3.04Å; A169-K195 HydrophobicContact CB-CB 3.98Å; A169-A196 HydrophobicContact CB-CB 4.24Å; A169-L199 HydrophobicContact CB-CD2 4.04Å
170P95.3Very high93.2Very high33 Ų3358.6 Ų58.621%0.21431%0.307CS..Hα-helixtrans-59.3-33.2176.4-24.834.5000113.6Q167 G174 K175Q167-P170 WeakPolarHBondContact O-CD 3.48Å; P170-G174 CarbonylContact O-C 3.26Å; P170-G174 VanDerWaalsContact O-CA 3.25Å; P170-G174 WeakPolarHBondContact O-CA 3.47Å; P170-G174 PolarHBondContact O-N 2.99Å; P170-K175 PolarHBondContact O-N 2.87Å
171H96.4Very high92.9Very high34 Ų3458.4 Ų58.416%0.15732%0.316CS..Hα-helixtrans-79.9-29.3-177.6-57.4-60.5000112.9L89 D90 Q167 M168 A169L89-H171 HydrophobicContact CB-CB 4.18Å; L89-H171 HydrophobicContact CD1-CB 4.24Å; D90-H171 IonicContact OD1-CE1 2.69Å; D90-H171 IonicContact OD1-CG 3.98Å; D90-H171 IonicContact OD1-ND1 3.69Å; D90-H171 PolarHBondContact OD1-ND1 3.33Å; D90-H171 IonicContact OD2-CE1 3.84Å; D90-H171 PolarHBondContact OD2-CE1 2.89Å; D90-H171 IonicContact OD2-ND1 2.82Å; D90-H171 PolarHBondContact OD2-ND1 3.02Å; D90-H171 VanDerWaalsContact OD2-ND1 3.14Å; Q167-H171 PolarHBondContact O-CD2 3.39Å; M168-H171 PolarHBondContact O-N 2.78Å; M168-H171 VanDerWaalsContact O-N 3.11Å; A169-H171 PolarHBondContact O-N 3.11Å
172L97.6Very high92.7Very high0 Ų064.1 Ų64.10%035%0.345CS..Hα-helixtrans-92.2-36-179.1-62179.9000113.7L89 P95 V96 I97 L143 F147 M168 A169 L199L89-L172 HydrophobicContact CD1-CD2 3.89Å; L89-L172 HydrophobicContact CD2-CD2 4.26Å; P95-L172 WeakPolarHBondContact CB-O 3.43Å; V96-L172 HydrophobicContact CB-CD2 4.38Å; V96-L172 HydrophobicContact CG2-CD2 4.35Å; I97-L172 WeakPolarHBondContact CB-O 3.49Å; I97-L172 HydrophobicContact CD1-CB 4.38Å; I97-L172 PolarHBondContact N-O 3.16Å; L143-L172 HydrophobicContact CD1-CD2 3.69Å; F147-L172 HydrophobicContact CE2-CD1 3.97Å; M168-L172 HydrophobicContact CB-CD1 4.49Å; M168-L172 PolarHBondContact O-N 2.86Å; M168-L172 VanDerWaalsContact O-N 3.08Å; A169-L172 PolarHBondContact O-N 2.99Å; L172-L199 HydrophobicContact CD1-CD1 3.67Å; L172-L199 HydrophobicContact CD1-CD2 3.76Å; L172-L199 HydrophobicContact CD1-CG 4.39Å
173F97.5Very high92.4Very high0 Ų066.8 Ų66.80%036%0.359CS..SBendtrans-92.9-4.1178.8-71.4-93.3000112.9I97 K102 L105 A169 K195 I198 L199I97-F173 HydrophobicContact CB-CD1 4.25Å; I97-F173 HydrophobicContact CD1-CD1 4Å; I97-F173 HydrophobicContact CD1-CD2 3.95Å; I97-F173 HydrophobicContact CD1-CE1 3.64Å; I97-F173 HydrophobicContact CD1-CE2 3.54Å; I97-F173 HydrophobicContact CD1-CG 4.16Å; I97-F173 HydrophobicContact CD1-CZ 3.4Å; I97-F173 HydrophobicContact CG2-CD1 3.93Å; I97-F173 HydrophobicContact CG2-CE1 3.99Å; K102-F173 HydrophobicContact CB-CD1 4.1Å; K102-F173 HydrophobicContact CD-CB 4.18Å; K102-F173 HydrophobicContact CD-CD1 4.32Å; K102-F173 WeakPolarHBondContact CD-O 3.14Å; K102-F173 HydrophobicContact CG-CD1 3.89Å; L105-F173 HydrophobicContact CD1-CE1 3.92Å; L105-F173 HydrophobicContact CD1-CZ 4.42Å; A169-F173 HydrophobicContact CB-CD2 4.31Å; A169-F173 WeakPolarHBondContact O-CB 3.37Å; A169-F173 WeakPolarHBondContact O-CD2 3.48Å; A169-F173 PolarHBondContact O-N 3.04Å; F173-K195 HydrophobicContact CB-CD 3.73Å; F173-K195 HydrophobicContact CB-CG 4.24Å; F173-K195 HydrophobicContact CD1-CG 4.22Å; F173-K195 HydrophobicContact CD2-CB 4.06Å; F173-K195 HydrophobicContact CD2-CG 4.35Å; F173-K195 HydrophobicContact CE2-CB 4.31Å; F173-K195 HydrophobicContact CG-CB 4.24Å; F173-K195 HydrophobicContact CG-CD 4.06Å; F173-K195 HydrophobicContact CG-CG 4.02Å; F173-I198 HydrophobicContact CZ-CB 4.39Å; F173-I198 HydrophobicContact CZ-CG2 3.94Å; F173-L199 HydrophobicContact CE2-CB 4.1Å
174G94.2Very high92.2Very high16 Ų1663.8 Ų63.817%0.16535%0.351CS..  trans78.4152.6-170.400000112.8P170 K195P170-G174 CarbonylContact O-C 3.26Å; P170-G174 VanDerWaalsContact O-CA 3.25Å; P170-G174 WeakPolarHBondContact O-CA 3.47Å; P170-G174 PolarHBondContact O-N 2.99Å; G174-K195 PolarHBondContact O-NZ 3.31Å
175K90.6Very high91.8Very high140 Ų14066 Ų6661%0.60937%0.37SS*.PPolyproline II helixtrans-72.3137.3175.4-65.5175.4-174.4166.40109.3D90 P170D90-K175 IonicContact OD1-NZ 2.91Å; D90-K175 WeakPolarHBondContact OD2-CE 3.28Å; D90-K175 IonicContact OD2-NZ 2.65Å; D90-K175 PolarHBondContact OD2-NZ 3.11Å; P170-K175 PolarHBondContact O-N 2.87Å
176E89.2Confident91.6Very high55 Ų5571.7 Ų71.726%0.25740%0.395SS..PPolyproline II helixtrans-86.9144.4175.4-61.2-66.6151.700110.2K102 C178 L188 L191 E192 K195K102-E176 IonicContact NZ-OE1 3.5Å; K102-E176 PolarHBondContact NZ-OE1 2.89Å; K102-E176 IonicContact NZ-OE2 3.66Å; E176-C178 PolarHBondContact O-N 3.35Å; E176-L188 HydrophobicContact CB-CD1 3.44Å; E176-L188 VanDerWaalsContact CB-CD1 3.44Å; E176-L188 HydrophobicContact CG-CD1 3.98Å; E176-L191 HydrophobicContact CG-CD2 3.63Å; E176-L191 HydrophobicContact CG-CG 4.39Å; E176-E192 WeakPolarHBondContact CG-OE1 3.37Å; E176-K195 WeakPolarHBondContact OE1-CE 3.3Å; E176-K195 IonicContact OE1-NZ 2.6Å; E176-K195 PolarHBondContact OE1-NZ 3.03Å
177E84.3Confident91.4Very high188 Ų18871 Ų7188%0.87940%0.396SS*.PPolyproline II helixtrans-67.3121.5171.6-63.6-175.5170.700109.5G179E177-G179 PolarHBondContact O-N 3.12Å
178C77.7Confident91.2Very high90 Ų9069.1 Ų69.161%0.60839%0.388SS*.  trans-82106178.3-167.10000109.2E176 L188E176-C178 PolarHBondContact O-N 3.35Å; C178-L188 HydrophobicContact CB-CD2 4Å
179G81.7Confident91Very high43 Ų4378.2 Ų78.244%0.44342%0.423SS..  trans-61.6159.5165.200000111.7E177 A184E177-G179 PolarHBondContact O-N 3.12Å; G179-A184 WeakPolarHBondContact O-CB 3.29Å
180S85.4Confident90.8Very high124 Ų12486.6 Ų86.687%0.86745%0.454SS*.SBendtrans-78143.9176.456.60000111.8
181G91.1Very high90.8Very high55 Ų5587 Ų8757%0.56745%0.454SS*.SBendtrans98.2163.717200000116.5K183 A184 A185G181-K183 PolarHBondContact O-N 3.24Å; G181-A184 PolarHBondContact O-N 3.35Å; G181-A185 PolarHBondContact O-N 3.19Å
182L91.1Very high90.7Very high138 Ų13887.3 Ų87.372%0.72346%0.456SS*.Hα-helixtrans-61.2-43.5-174.1-68.6173.1000112.8A184 A185 F186L182-A184 VanDerWaalsContact C-N 3.3Å; L182-A184 PolarHBondContact O-N 3Å; L182-A185 PolarHBondContact O-N 2.96Å; L182-F186 HydrophobicContact CB-CD2 4.46Å; L182-F186 HydrophobicContact CB-CE2 4.38Å; L182-F186 WeakPolarHBondContact O-CD2 3.41Å; L182-F186 PolarHBondContact O-N 3.43Å
183K91.2Very high90.6Very high161 Ų16194.2 Ų94.270%0.749%0.486SS*.Hα-helixtrans-61.8-38.1179.3-169.2174.4-175.7174.90111.7G181 K187G181-K183 PolarHBondContact O-N 3.24Å; K183-K187 WeakPolarHBondContact O-CG 3.31Å; K183-K187 PolarHBondContact O-N 2.82Å
184A91.3Very high90.5Very high27 Ų2798 Ų9822%0.22350%0.5CS..Hα-helixtrans-66.9-46174.500000111G179 G181 L182 F186 K187 L188G179-A184 WeakPolarHBondContact O-CB 3.29Å; G181-A184 PolarHBondContact O-N 3.35Å; L182-A184 VanDerWaalsContact C-N 3.3Å; L182-A184 PolarHBondContact O-N 3Å; A184-F186 VanDerWaalsContact C-N 3.35Å; A184-F186 PolarHBondContact O-N 3.36Å; A184-K187 PolarHBondContact O-N 2.74Å; A184-L188 WeakPolarHBondContact O-CB 3.44Å; A184-L188 PolarHBondContact O-N 3.02Å
185A89.9Confident90.7Very high47 Ų4797.3 Ų97.339%0.38849%0.492SS..Hα-helixtrans-59.3-41.6176.300000112.9G181 L182 L188 R189G181-A185 PolarHBondContact O-N 3.19Å; L182-A185 PolarHBondContact O-N 2.96Å; A185-L188 PolarHBondContact O-N 2.83Å; A185-R189 WeakPolarHBondContact O-CB 3.27Å; A185-R189 PolarHBondContact O-N 3.43Å
186F92.1Very high91Very high120 Ų12091 Ų9153%0.52647%0.467SS..Hα-helixtrans-66.5-42.1175.3-79.1-66.4000112.8L182 A184 L188 R189 R190L182-F186 HydrophobicContact CB-CD2 4.46Å; L182-F186 HydrophobicContact CB-CE2 4.38Å; L182-F186 WeakPolarHBondContact O-CD2 3.41Å; L182-F186 PolarHBondContact O-N 3.43Å; A184-F186 VanDerWaalsContact C-N 3.35Å; A184-F186 PolarHBondContact O-N 3.36Å; F186-L188 VanDerWaalsContact C-N 3.35Å; F186-R189 PolarHBondContact O-N 3.13Å; F186-R190 WeakPolarHBondContact O-CG 3.44Å; F186-R190 PolarHBondContact O-N 2.97Å
187K92.5Very high91.3Very high138 Ų13889.9 Ų89.960%0.646%0.462SS*.Hα-helixtrans-60.2-46.3174.8-78179.1177.2-174.30110.9K183 A184 R190 L191K183-K187 WeakPolarHBondContact O-CG 3.31Å; K183-K187 PolarHBondContact O-N 2.82Å; A184-K187 PolarHBondContact O-N 2.74Å; K187-R190 PolarHBondContact O-N 3.43Å; K187-L191 WeakPolarHBondContact O-CB 3.38Å; K187-L191 PolarHBondContact O-N 2.84Å
188L92.7Very high92Very high43 Ų4380.9 Ų80.923%0.22542%0.42CS..Hα-helixtrans-59.9-48.6176.8177.759.3000111.7E176 C178 A184 A185 F186 R190 L191 E192E176-L188 HydrophobicContact CB-CD1 3.44Å; E176-L188 VanDerWaalsContact CB-CD1 3.44Å; E176-L188 HydrophobicContact CG-CD1 3.98Å; C178-L188 HydrophobicContact CB-CD2 4Å; A184-L188 WeakPolarHBondContact O-CB 3.44Å; A184-L188 PolarHBondContact O-N 3.02Å; A185-L188 PolarHBondContact O-N 2.83Å; F186-L188 VanDerWaalsContact C-N 3.35Å; L188-R190 VanDerWaalsContact C-N 3.3Å; L188-R190 PolarHBondContact O-N 3.37Å; L188-L191 WeakPolarHBondContact O-CB 3.3Å; L188-L191 PolarHBondContact O-N 2.88Å; L188-L191 VanDerWaalsContact O-N 3.09Å; L188-E192 HydrophobicContact CD1-CG 4.13Å; L188-E192 PolarHBondContact O-N 3.31Å
189R92.2Very high92.9Very high191 Ų19176.6 Ų76.672%0.72139%0.391SS*.Hα-helixtrans-59.8-39.9177.8-173.2177.2-179.1-177.7-0112.5A185 F186 K193A185-R189 WeakPolarHBondContact O-CB 3.27Å; A185-R189 PolarHBondContact O-N 3.43Å; F186-R189 PolarHBondContact O-N 3.13Å; R189-K193 WeakPolarHBondContact O-CB 3.41Å; R189-K193 PolarHBondContact O-N 2.92Å
190R93.3Very high93.7Very high175 Ų17575.2 Ų75.266%0.6637%0.374SS*.Hα-helixtrans-66-41175.2-74.4179.4179.3-176.20.6111.3F186 K187 L188 K193 R194F186-R190 WeakPolarHBondContact O-CG 3.44Å; F186-R190 PolarHBondContact O-N 2.97Å; K187-R190 PolarHBondContact O-N 3.43Å; L188-R190 VanDerWaalsContact C-N 3.3Å; L188-R190 PolarHBondContact O-N 3.37Å; R190-K193 PolarHBondContact O-N 2.95Å; R190-R194 WeakPolarHBondContact O-CG 3.27Å; R190-R194 PolarHBondContact O-N 3.41Å; R190-R194 VanDerWaalsContact O-N 3.09Å
191L94.4Very high94.3Very high41 Ų4170 Ų7022%0.21534%0.336CS..Hα-helixtrans-63-50.1177.9-179.358.9000111.6L106 E176 K187 L188 K193 R194 K195L106-L191 HydrophobicContact CD1-CD1 3.53Å; L106-L191 HydrophobicContact CD2-CD1 3.89Å; L106-L191 HydrophobicContact CG-CD1 4.35Å; E176-L191 HydrophobicContact CG-CD2 3.63Å; E176-L191 HydrophobicContact CG-CG 4.39Å; K187-L191 WeakPolarHBondContact O-CB 3.38Å; K187-L191 PolarHBondContact O-N 2.84Å; L188-L191 WeakPolarHBondContact O-CB 3.3Å; L188-L191 PolarHBondContact O-N 2.88Å; L188-L191 VanDerWaalsContact O-N 3.09Å; L191-K193 VanDerWaalsContact C-N 3.31Å; L191-K193 PolarHBondContact O-N 2.82Å; L191-R194 WeakPolarHBondContact O-CB 3.49Å; L191-R194 PolarHBondContact O-N 2.91Å; L191-K195 PolarHBondContact O-N 2.87Å
192E94.8Very high94.6Very high41 Ų4167.4 Ų67.419%0.19231%0.309CS..Hα-helixtrans-61.8-37.9176.4-71-56.1137.600112.3E176 L188 R194 K195 A196E176-E192 WeakPolarHBondContact CG-OE1 3.37Å; L188-E192 HydrophobicContact CD1-CG 4.13Å; L188-E192 PolarHBondContact O-N 3.31Å; E192-R194 VanDerWaalsContact C-N 3.3Å; E192-R194 PolarHBondContact O-N 3.19Å; E192-K195 PolarHBondContact O-N 3.41Å; E192-K195 IonicContact OE1-NZ 2.85Å; E192-K195 PolarHBondContact OE1-NZ 3.01Å; E192-A196 WeakPolarHBondContact O-CB 3.26Å; E192-A196 PolarHBondContact O-N 3.25Å
193K95.1Very high94.8Very high146 Ų14660.8 Ų60.864%0.63527%0.274SS*.Hα-helixtrans-60.2-39.4172.4-173.8177.7179.1-178.80111.8R189 R190 L191 L197R189-K193 WeakPolarHBondContact O-CB 3.41Å; R189-K193 PolarHBondContact O-N 2.92Å; R190-K193 PolarHBondContact O-N 2.95Å; L191-K193 VanDerWaalsContact C-N 3.31Å; L191-K193 PolarHBondContact O-N 2.82Å; K193-L197 HydrophobicContact CG-CD1 4.3Å; K193-L197 VanDerWaalsContact O-CG 3.27Å; K193-L197 WeakPolarHBondContact O-CG 3.39Å; K193-L197 PolarHBondContact O-N 3.38Å; K193-L197 VanDerWaalsContact O-N 3.09Å
194R95.7Very high95.1Very high80 Ų8057 Ų5730%0.30226%0.259SS..Hα-helixtrans-68.8-47.5178-69.8174.5-179.2166.6-1.5111.7L106 Y109 R190 L191 E192 A196 L197 I198L106-R194 HydrophobicContact CD2-CB 3.95Å; Y109-R194 HydrophobicContact CD1-CB 4.28Å; Y109-R194 HydrophobicContact CD1-CG 3.77Å; Y109-R194 HydrophobicContact CE1-CB 4.37Å; Y109-R194 HydrophobicContact CE1-CG 3.62Å; R190-R194 WeakPolarHBondContact O-CG 3.27Å; R190-R194 PolarHBondContact O-N 3.41Å; R190-R194 VanDerWaalsContact O-N 3.09Å; L191-R194 WeakPolarHBondContact O-CB 3.49Å; L191-R194 PolarHBondContact O-N 2.91Å; E192-R194 VanDerWaalsContact C-N 3.3Å; E192-R194 PolarHBondContact O-N 3.19Å; R194-A196 VanDerWaalsContact C-N 3.31Å; R194-A196 PolarHBondContact O-N 2.94Å; R194-L197 PolarHBondContact O-N 3Å; R194-L197 VanDerWaalsContact O-N 3.11Å; R194-I198 WeakPolarHBondContact O-CG1 3.11Å; R194-I198 PolarHBondContact O-N 3.42Å
195K97.5Very high95.2Very high0 Ų059.1 Ų59.10%026%0.264CS..Hα-helixtrans-54.6-47.8174.8-68.3175.1171.8-179.20111.5L106 A169 F173 G174 E176 L191 E192 L197 I198 L199L106-K195 HydrophobicContact CD2-CG 4.22Å; A169-K195 HydrophobicContact CB-CB 3.98Å; F173-K195 HydrophobicContact CB-CD 3.73Å; F173-K195 HydrophobicContact CB-CG 4.24Å; F173-K195 HydrophobicContact CD1-CG 4.22Å; F173-K195 HydrophobicContact CD2-CB 4.06Å; F173-K195 HydrophobicContact CD2-CG 4.35Å; F173-K195 HydrophobicContact CE2-CB 4.31Å; F173-K195 HydrophobicContact CG-CB 4.24Å; F173-K195 HydrophobicContact CG-CD 4.06Å; F173-K195 HydrophobicContact CG-CG 4.02Å; G174-K195 PolarHBondContact O-NZ 3.31Å; E176-K195 WeakPolarHBondContact OE1-CE 3.3Å; E176-K195 IonicContact OE1-NZ 2.6Å; E176-K195 PolarHBondContact OE1-NZ 3.03Å; L191-K195 PolarHBondContact O-N 2.87Å; E192-K195 PolarHBondContact O-N 3.41Å; E192-K195 IonicContact OE1-NZ 2.85Å; E192-K195 PolarHBondContact OE1-NZ 3.01Å; K195-L197 VanDerWaalsContact C-N 3.31Å; K195-L197 PolarHBondContact O-N 3.14Å; K195-I198 PolarHBondContact O-N 3.35Å; K195-L199 WeakPolarHBondContact O-CB 3.39Å; K195-L199 PolarHBondContact O-N 3.08Å
196A97.3Very high95.4Very high9 Ų957 Ų577%0.07425%0.247CC..Hα-helixtrans-61.7-36.9177.700000112.9A165 R166 A169 E192 R194 M200A165-A196 VanDerWaalsContact CB-O 3.24Å; A165-A196 WeakPolarHBondContact CB-O 3.46Å; R166-A196 HydrophobicContact CB-CB 4.43Å; R166-A196 HydrophobicContact CG-CB 3.88Å; A169-A196 HydrophobicContact CB-CB 4.24Å; E192-A196 WeakPolarHBondContact O-CB 3.26Å; E192-A196 PolarHBondContact O-N 3.25Å; R194-A196 VanDerWaalsContact C-N 3.31Å; R194-A196 PolarHBondContact O-N 2.94Å; A196-M200 VanDerWaalsContact O-CB 3.25Å; A196-M200 WeakPolarHBondContact O-CB 3.5Å; A196-M200 PolarHBondContact O-N 3.21Å
197L96.8Very high95.3Very high30 Ų3056 Ų5616%0.15724%0.244CC..Hα-helixtrans-70.9-41.2176.6-73.7170.8000112.4Y109 K193 R194 K195 M200 L201Y109-L197 HydrophobicContact CE2-CB 4.09Å; Y109-L197 HydrophobicContact CE2-CD1 4.34Å; Y109-L197 WeakPolarHBondContact OH-CD1 3.29Å; K193-L197 HydrophobicContact CG-CD1 4.3Å; K193-L197 VanDerWaalsContact O-CG 3.27Å; K193-L197 WeakPolarHBondContact O-CG 3.39Å; K193-L197 PolarHBondContact O-N 3.38Å; K193-L197 VanDerWaalsContact O-N 3.09Å; R194-L197 PolarHBondContact O-N 3Å; R194-L197 VanDerWaalsContact O-N 3.11Å; K195-L197 VanDerWaalsContact C-N 3.31Å; K195-L197 PolarHBondContact O-N 3.14Å; L197-M200 HydrophobicContact CD2-CE 4.03Å; L197-M200 HydrophobicContact CD2-SD 4.46Å; L197-M200 PolarHBondContact O-N 3.29Å; L197-L201 WeakPolarHBondContact O-CG 3.43Å; L197-L201 PolarHBondContact O-N 3.4Å; L197-L201 VanDerWaalsContact O-N 3.16Å
198I97.5Very high95.3Very high0 Ų050.8 Ų50.80%022%0.223CC..Hα-helixtrans-59.5-50.7173.9-68.2164.7000109.5L105 L106 Y109 L125 F173 R194 K195 M200 L201 L202L105-I198 HydrophobicContact CB-CD1 4.26Å; L105-I198 HydrophobicContact CB-CG2 4.5Å; L105-I198 HydrophobicContact CD2-CG2 4.48Å; L106-I198 HydrophobicContact CD2-CD1 3.96Å; Y109-I198 HydrophobicContact CD2-CD1 4.36Å; Y109-I198 HydrophobicContact CD2-CG1 3.88Å; Y109-I198 HydrophobicContact CG-CD1 4.42Å; Y109-I198 HydrophobicContact CG-CG1 4.43Å; L125-I198 HydrophobicContact CD1-CG2 4.13Å; L125-I198 HydrophobicContact CD2-CG2 4.27Å; F173-I198 HydrophobicContact CZ-CB 4.39Å; F173-I198 HydrophobicContact CZ-CG2 3.94Å; R194-I198 WeakPolarHBondContact O-CG1 3.11Å; R194-I198 PolarHBondContact O-N 3.42Å; K195-I198 PolarHBondContact O-N 3.35Å; I198-M200 VanDerWaalsContact C-N 3.31Å; I198-M200 PolarHBondContact O-N 2.93Å; I198-L201 PolarHBondContact O-N 3Å; I198-L202 HydrophobicContact CG2-CD1 4.14Å; I198-L202 WeakPolarHBondContact O-CG 3.31Å; I198-L202 PolarHBondContact O-N 3.42Å; I198-L202 VanDerWaalsContact O-N 3.08Å
199L98.2Very high95.2Very high0 Ų048.7 Ų48.70%021%0.212CC..Hα-helixtrans-61.9-39179.1-175.255.8000112.5L144 A165 M168 A169 L172 F173 K195 L201 L202 I203L144-L199 HydrophobicContact CD2-CD1 3.86Å; A165-L199 HydrophobicContact CB-CB 4.05Å; A165-L199 HydrophobicContact CB-CD2 4.29Å; A165-L199 HydrophobicContact CB-CG 4.05Å; M168-L199 HydrophobicContact CB-CD2 3.92Å; A169-L199 HydrophobicContact CB-CD2 4.04Å; L172-L199 HydrophobicContact CD1-CD1 3.67Å; L172-L199 HydrophobicContact CD1-CD2 3.76Å; L172-L199 HydrophobicContact CD1-CG 4.39Å; F173-L199 HydrophobicContact CE2-CB 4.1Å; K195-L199 WeakPolarHBondContact O-CB 3.39Å; K195-L199 PolarHBondContact O-N 3.08Å; L199-L201 VanDerWaalsContact C-N 3.31Å; L199-L201 PolarHBondContact O-N 2.89Å; L199-L202 PolarHBondContact O-N 2.92Å; L199-I203 HydrophobicContact CD1-CD1 4.06Å; L199-I203 HydrophobicContact CD1-CG1 4.07Å; L199-I203 HydrophobicContact CD2-CD1 4.38Å; L199-I203 HydrophobicContact CG-CD1 3.76Å; L199-I203 HydrophobicContact CG-CG1 4.23Å; L199-I203 WeakPolarHBondContact O-CB 3.27Å; L199-I203 VanDerWaalsContact O-CG1 3.27Å; L199-I203 WeakPolarHBondContact O-CG1 3.49Å; L199-I203 PolarHBondContact O-N 3.32Å
200M97.9Very high94.7Very high14 Ų1441.2 Ų41.27%0.06919%0.185CC..Hα-helixtrans-58.4-44.5176.3-179.5-166.674.600111.4R162 A165 A196 L197 I198 I203 Q204R162-M200 HydrophobicContact CB-CG 4.49Å; R162-M200 HydrophobicContact CB-SD 3.85Å; R162-M200 HydrophobicContact CG-SD 4.19Å; A165-M200 HydrophobicContact CB-CB 3.75Å; A196-M200 VanDerWaalsContact O-CB 3.25Å; A196-M200 WeakPolarHBondContact O-CB 3.5Å; A196-M200 PolarHBondContact O-N 3.21Å; L197-M200 HydrophobicContact CD2-CE 4.03Å; L197-M200 HydrophobicContact CD2-SD 4.46Å; L197-M200 PolarHBondContact O-N 3.29Å; I198-M200 VanDerWaalsContact C-N 3.31Å; I198-M200 PolarHBondContact O-N 2.93Å; M200-I203 PolarHBondContact O-N 3.28Å; M200-Q204 WeakPolarHBondContact O-CB 3.21Å; M200-Q204 VanDerWaalsContact O-CG 3.31Å; M200-Q204 WeakPolarHBondContact O-CG 3.42Å; M200-Q204 PolarHBondContact O-N 3.41Å
201L97Very high93Very high14 Ų1436 Ų367%0.07317%0.174CC..Hα-helixtrans-64.4-43.9177.7-67.7171.2000111.4I118 F121 T122 L125 L197 I198 L199 I203 Q204 H205I118-L201 HydrophobicContact CG2-CD2 3.9Å; F121-L201 HydrophobicContact CD1-CD1 3.82Å; F121-L201 HydrophobicContact CE1-CD1 3.75Å; T122-L201 HydrophobicContact CG2-CB 4.19Å; L125-L201 HydrophobicContact CD1-CB 4.39Å; L125-L201 HydrophobicContact CD1-CD1 3.98Å; L197-L201 WeakPolarHBondContact O-CG 3.43Å; L197-L201 PolarHBondContact O-N 3.4Å; L197-L201 VanDerWaalsContact O-N 3.16Å; I198-L201 PolarHBondContact O-N 3Å; L199-L201 VanDerWaalsContact C-N 3.31Å; L199-L201 PolarHBondContact O-N 2.89Å; L201-I203 PolarHBondContact O-N 3.16Å; L201-Q204 PolarHBondContact O-N 3.09Å; L201-H205 PolarHBondContact O-N 3.25Å
202L97.2Very high90.7Very high0 Ų040.9 Ų40.90%020%0.197CC..Hα-helixtrans-65.7-35.6177.2-65.4176.4000112.8L125 L144 I198 L199 H205 P206 V208 V209L125-L202 HydrophobicContact CB-CD2 4.04Å; L144-L202 HydrophobicContact CD1-CB 4.02Å; L144-L202 HydrophobicContact CD2-CB 3.78Å; I198-L202 HydrophobicContact CG2-CD1 4.14Å; I198-L202 WeakPolarHBondContact O-CG 3.31Å; I198-L202 PolarHBondContact O-N 3.42Å; I198-L202 VanDerWaalsContact O-N 3.08Å; L199-L202 PolarHBondContact O-N 2.92Å; L202-H205 CarbonylContact O-C 3.54Å; L202-H205 VanDerWaalsContact O-C 3.26Å; L202-P206 VanDerWaalsContact O-CA 3.31Å; L202-P206 WeakPolarHBondContact O-CA 3.45Å; L202-P206 VanDerWaalsContact O-N 3.09Å; L202-V208 HydrophobicContact CD2-CG2 3.86Å; L202-V209 HydrophobicContact CD2-CG2 3.89Å
203I97Very high88Confident0 Ų042.5 Ų42.50%021%0.21CC..Hα-helixtrans-68.7-36.8174.4-71.4170.2000110.9L144 F147 N148 T151 L164 A165 L199 M200 L201 H205L144-I203 HydrophobicContact CD2-CG1 3.9Å; F147-I203 HydrophobicContact CB-CD1 3.99Å; F147-I203 HydrophobicContact CB-CG1 3.95Å; F147-I203 HydrophobicContact CB-CG2 4.09Å; F147-I203 HydrophobicContact CD2-CD1 4.14Å; F147-I203 HydrophobicContact CD2-CG1 4.29Å; F147-I203 HydrophobicContact CG-CD1 4.32Å; N148-I203 WeakPolarHBondContact CB-O 3.3Å; N148-I203 PolarHBondContact ND2-O 3.48Å; T151-I203 HydrophobicContact CG2-CG2 4.07Å; L164-I203 HydrophobicContact CD2-CD1 4.45Å; L164-I203 HydrophobicContact CG-CD1 4.43Å; A165-I203 HydrophobicContact CB-CD1 4.19Å; L199-I203 HydrophobicContact CD1-CD1 4.06Å; L199-I203 HydrophobicContact CD1-CG1 4.07Å; L199-I203 HydrophobicContact CD2-CD1 4.38Å; L199-I203 HydrophobicContact CG-CD1 3.76Å; L199-I203 HydrophobicContact CG-CG1 4.23Å; L199-I203 WeakPolarHBondContact O-CB 3.27Å; L199-I203 VanDerWaalsContact O-CG1 3.27Å; L199-I203 WeakPolarHBondContact O-CG1 3.49Å; L199-I203 PolarHBondContact O-N 3.32Å; M200-I203 PolarHBondContact O-N 3.28Å; L201-I203 PolarHBondContact O-N 3.16Å; I203-H205 VanDerWaalsContact C-N 3.35Å
204Q95.8Very high85Confident81 Ų8143 Ų4338%0.37921%0.214SC..Hα-helixtrans-70.8-34.5178.1-76.5175.8-37.200112.2S161 M200 L201 P206S161-Q204 PolarHBondContact OG-NE2 3.36Å; S161-Q204 VanDerWaalsContact OG-NE2 3.13Å; M200-Q204 WeakPolarHBondContact O-CB 3.21Å; M200-Q204 VanDerWaalsContact O-CG 3.31Å; M200-Q204 WeakPolarHBondContact O-CG 3.42Å; M200-Q204 PolarHBondContact O-N 3.41Å; L201-Q204 PolarHBondContact O-N 3.09Å; Q204-P206 VanDerWaalsContact C-CD 3.48Å; Q204-P206 WeakPolarHBondContact O-CD 3.21Å
205H94.2Very high81.7Confident71 Ų7141.8 Ų41.833%0.32923%0.227SC..  trans-126.262.7-176.4-63.1-70.1000111.1T122 L201 L202 I203 E207 V208T122-H205 HydrophobicContact CG2-CB 3.74Å; L201-H205 PolarHBondContact O-N 3.25Å; L202-H205 CarbonylContact O-C 3.54Å; L202-H205 VanDerWaalsContact O-C 3.26Å; I203-H205 VanDerWaalsContact C-N 3.35Å; H205-E207 WeakPolarHBondContact CA-OE1 3.11Å; H205-E207 WeakPolarHBondContact CA-OE2 3.38Å; H205-E207 VanDerWaalsContact CB-OE1 3.31Å; H205-E207 WeakPolarHBondContact CB-OE1 3.42Å; H205-E207 IonicContact CG-OE1 3.5Å; H205-E207 IonicContact ND1-OE1 2.92Å; H205-E207 PolarHBondContact ND1-OE1 2.85Å; H205-E207 PolarHBondContact O-N 2.68Å; H205-V208 HydrophobicContact CB-CG1 4.12Å; H205-V208 VanDerWaalsContact O-CG2 3.25Å; H205-V208 WeakPolarHBondContact O-CG2 3.43Å; H205-V208 PolarHBondContact O-N 2.81Å
206P93.3Very high78.4Confident4 Ų450.2 Ų50.23%0.02627%0.272CS..G310 helixtrans-59.2-22.2-179.727.3-35.6000111.8L144 K145 N148 L202 Q204 V208 V209 F210L144-P206 HydrophobicContact CB-CB 4.09Å; K145-P206 HydrophobicContact CD-CB 4.41Å; K145-P206 HydrophobicContact CD-CG 4.31Å; K145-P206 HydrophobicContact CG-CB 4.39Å; N148-P206 HydrophobicContact CB-CG 4.13Å; L202-P206 VanDerWaalsContact O-CA 3.31Å; L202-P206 WeakPolarHBondContact O-CA 3.45Å; L202-P206 VanDerWaalsContact O-N 3.09Å; Q204-P206 VanDerWaalsContact C-CD 3.48Å; Q204-P206 WeakPolarHBondContact O-CD 3.21Å; P206-V208 PolarHBondContact O-N 3.18Å; P206-V209 PolarHBondContact O-N 2.9Å; P206-F210 HydrophobicContact CB-CE2 4.34Å; P206-F210 HydrophobicContact CB-CZ 4.49Å; P206-F210 WeakPolarHBondContact O-CE2 3.25Å
207E91.1Very high75.2Confident99 Ų9954.2 Ų54.246%0.46330%0.299SS..G310 helixtrans-57.4-27.6179.968.3-79-177.900115.1H205 V209 F210H205-E207 WeakPolarHBondContact CA-OE1 3.11Å; H205-E207 WeakPolarHBondContact CA-OE2 3.38Å; H205-E207 VanDerWaalsContact CB-OE1 3.31Å; H205-E207 WeakPolarHBondContact CB-OE1 3.42Å; H205-E207 IonicContact CG-OE1 3.5Å; H205-E207 IonicContact ND1-OE1 2.92Å; H205-E207 PolarHBondContact ND1-OE1 2.85Å; H205-E207 PolarHBondContact O-N 2.68Å; E207-V209 PolarHBondContact O-N 3.24Å; E207-F210 VanDerWaalsContact CA-CD2 3.45Å; E207-F210 HydrophobicContact CB-CD2 4.32Å; E207-F210 PolarHBondContact O-N 3.17Å
208V91.7Very high72.3Confident27 Ų2759.7 Ų59.716%0.16432%0.322CS..G310 helixtrans-72.5-17.3-178.2-54.30000113.3T122 Q123 G126 L202 H205 P206T122-V208 HydrophobicContact CG2-CG1 4.12Å; T122-V208 HydrophobicContact CG2-CG2 4.22Å; T122-V208 WeakPolarHBondContact O-CG2 3.33Å; Q123-V208 HydrophobicContact CG-CG1 4.28Å; G126-V208 CarbonylContact C-O 3.5Å; G126-V208 VanDerWaalsContact CA-O 3.24Å; G126-V208 WeakPolarHBondContact CA-O 3.26Å; L202-V208 HydrophobicContact CD2-CG2 3.86Å; H205-V208 HydrophobicContact CB-CG1 4.12Å; H205-V208 VanDerWaalsContact O-CG2 3.25Å; H205-V208 WeakPolarHBondContact O-CG2 3.43Å; H205-V208 PolarHBondContact O-N 2.81Å; P206-V208 PolarHBondContact O-N 3.18Å
209V90.5Very high69.2Low0 Ų064.2 Ų64.20%035%0.346CS..G310 helixtrans-95.4-14.8-180-172.10000111.4C129 Q130 L137 L140 M141 L144 L202 P206 E207C129-V209 HydrophobicContact CB-CG1 3.94Å; C129-V209 HydrophobicContact CB-CG2 4.32Å; Q130-V209 PolarHBondContact NE2-O 2.62Å; L137-V209 HydrophobicContact CD1-CG1 3.56Å; L140-V209 HydrophobicContact CD2-CG1 4.4Å; M141-V209 HydrophobicContact CG-CB 4.45Å; M141-V209 HydrophobicContact CG-CG1 3.86Å; L144-V209 HydrophobicContact CD1-CB 4.21Å; L144-V209 HydrophobicContact CD1-CG1 4.49Å; L144-V209 HydrophobicContact CD1-CG2 3.65Å; L202-V209 HydrophobicContact CD2-CG2 3.89Å; P206-V209 PolarHBondContact O-N 2.9Å; E207-V209 PolarHBondContact O-N 3.24Å
210F81.5Confident66.4Low33 Ų3369.3 Ų69.315%0.14538%0.379CS..SBendtrans-66.2138.2170.6-60.2-60.9000108.8V23 M141 K145 P206 E207 M212V23-F210 HydrophobicContact CG1-CD1 3.85Å; V23-F210 HydrophobicContact CG1-CE1 3.35Å; V23-F210 HydrophobicContact CG1-CE2 4.45Å; V23-F210 HydrophobicContact CG1-CZ 3.79Å; M141-F210 HydrophobicContact CB-CE1 3.98Å; M141-F210 HydrophobicContact CG-CD1 4.23Å; M141-F210 HydrophobicContact CG-CE1 4.03Å; M141-F210 HydrophobicContact SD-CD1 3.51Å; M141-F210 VanDerWaalsContact SD-CD1 3.51Å; M141-F210 HydrophobicContact SD-CE1 3.85Å; K145-F210 HydrophobicContact CD-CE2 4.45Å; K145-F210 HydrophobicContact CD-CZ 3.99Å; K145-F210 HydrophobicContact CG-CE1 4.46Å; K145-F210 HydrophobicContact CG-CZ 3.67Å; P206-F210 HydrophobicContact CB-CE2 4.34Å; P206-F210 HydrophobicContact CB-CZ 4.49Å; P206-F210 WeakPolarHBondContact O-CE2 3.25Å; E207-F210 VanDerWaalsContact CA-CD2 3.45Å; E207-F210 HydrophobicContact CB-CD2 4.32Å; E207-F210 PolarHBondContact O-N 3.17Å; F210-M212 PolarHBondContact O-N 3.11Å
211P59.1Low63.6Low67 Ų6772.5 Ų72.544%0.43541%0.408SS..  trans-51.8122163.4-9.419000106.4V213P211-V213 PolarHBondContact O-N 2.79Å
212M45.9Very low60.7Low143 Ų14378.8 Ų78.870%0.70444%0.437SS*.  trans-60.591.4172.9-83.5-173.4137.800107.9F210 H214F210-M212 PolarHBondContact O-N 3.11Å; M212-H214 PolarHBondContact O-N 3.44Å
213V38.7Very low57.9Low75 Ų7584.5 Ų84.546%0.45546%0.458SS..  trans-75.974.7157.7-171.60000105.3P211 F218P211-V213 PolarHBondContact O-N 2.79Å; V213-F218 HydrophobicContact CB-CD2 4.23Å; V213-F218 HydrophobicContact CB-CE2 4.12Å; V213-F218 HydrophobicContact CG1-CD2 3.27Å; V213-F218 HydrophobicContact CG1-CE2 3.63Å; V213-F218 HydrophobicContact CG1-CG 4.19Å; V213-F218 HydrophobicContact CG2-CD2 3.91Å; V213-F218 HydrophobicContact CG2-CE2 3.31Å; V213-F218 HydrophobicContact CG2-CZ 3.96Å
214H30.9Very low54.8Low156 Ų15689.1 Ų89.172%0.72249%0.488SS*.  trans-112.787.6165.3-72.7-3.3000105.4M212M212-H214 PolarHBondContact O-N 3.44Å
215G27.3Very low51.8Low55 Ų5590.7 Ų90.757%0.56750%0.503SS*.SBendtrans164.8115.1-179.600000110.1S217G215-S217 PolarHBondContact O-N 3.49Å
216D27.6Very low49.2Very low176 Ų17694.6 Ų94.694%0.94152%0.515SS*.SBendtrans-56.687.3-175.5-59.4-59.8000113.8
217S30.4Very low46.1Very low94 Ų94101.3 Ų101.366%0.65755%0.551SS**  trans176.975.4153.960.50000110.7G215 N219G215-S217 PolarHBondContact O-N 3.49Å; S217-N219 PolarHBondContact O-N 2.9Å
218F34.9Very low43.3Very low144 Ų144103.3 Ų103.363%0.63256%0.558SS**  trans-90.186.6166-129.5-106.1000109.3V213 P220V213-F218 HydrophobicContact CB-CD2 4.23Å; V213-F218 HydrophobicContact CB-CE2 4.12Å; V213-F218 HydrophobicContact CG1-CD2 3.27Å; V213-F218 HydrophobicContact CG1-CE2 3.63Å; V213-F218 HydrophobicContact CG1-CG 4.19Å; V213-F218 HydrophobicContact CG2-CD2 3.91Å; V213-F218 HydrophobicContact CG2-CE2 3.31Å; V213-F218 HydrophobicContact CG2-CZ 3.96Å; F218-P220 WeakPolarHBondContact O-CD 3.41Å
219N33.2Very low40.3Very low95 Ų95108.3 Ų108.351%0.50859%0.593SS.*  trans-81.6114.1162.8-146.5-14000106.5S217 A221 E222S217-N219 PolarHBondContact O-N 2.9Å; N219-A221 PolarHBondContact O-N 3.12Å; N219-E222 PolarHBondContact O-N 2.79Å
220P39.9Very low37.5Very low108 Ų108114.1 Ų114.170%0.70163%0.628SS**THydrogen-bonded Turntrans-59.6-11.8179.922.3-31.5000113.1F218F218-P220 WeakPolarHBondContact O-CD 3.41Å
221A38.2Very low35.3Very low80 Ų80118 Ų11866%0.66166%0.657SS**THydrogen-bonded Turntrans-79.8-12.3174.200000115.3N219N219-A221 PolarHBondContact O-N 3.12Å
222E36.5Very low33.9Very low146 Ų146124.3 Ų124.368%0.68268%0.677SS**  trans-110.422.4-175-76.7-173.6169.400114.3N219N219-E222 PolarHBondContact O-N 2.79Å
223R39.1Very low33.4Very low120 Ų120126.1 Ų126.145%0.45368%0.684SS.*SBendtrans-52.8133.8156-79.2-176.5175.3161.4-0.2106.8H16 V225H16-R223 PolarHBondContact CE1-NH1 3.22Å; R223-V225 PolarHBondContact O-N 3.1Å
224P31.9Very low33.1Very low97 Ų97128.4 Ų128.463%0.6370%0.698SS**  trans-52.6117.7171.520.7-28.7000105.3R226P224-R226 HydrophobicContact CB-CG 4.43Å; P224-R226 HydrophobicContact CG-CG 4.45Å; P224-R226 PolarHBondContact O-N 3.18Å
225V33.1Very low33.1Very low115 Ų115130.2 Ų130.270%0.69771%0.707SS**  trans-61.783.8170.6-174.10000103.9R223 N227R223-V225 PolarHBondContact O-N 3.1Å; V225-N227 WeakPolarHBondContact CG1-OD1 3.43Å; V225-N227 PolarHBondContact O-N 3.28Å
226R37.8Very low33.4Very low152 Ų152134.2 Ų134.257%0.57472%0.715SS**  trans-69.893169.9-70-168.9-176.6-151.11.3102.1S134 P224 F228S134-R226 PolarHBondContact OG-NH1 2.97Å; P224-R226 HydrophobicContact CB-CG 4.43Å; P224-R226 HydrophobicContact CG-CG 4.45Å; P224-R226 PolarHBondContact O-N 3.18Å; R226-F228 VanDerWaalsContact C-N 3.25Å; R226-F228 HydrophobicContact CB-CD2 4.05Å; R226-F228 HydrophobicContact CB-CE2 3.64Å; R226-F228 HydrophobicContact CB-CZ 4.43Å; R226-F228 WeakPolarHBondContact O-CD2 3.24Å; R226-F228 PolarHBondContact O-N 3.04Å
227N28.1Very low33.5Very low145 Ų145130.1 Ų130.178%0.77570%0.7SS**  trans-53.792.7178.8-71.4-34.9000108.1V225V225-N227 WeakPolarHBondContact CG1-OD1 3.43Å; V225-N227 PolarHBondContact O-N 3.28Å
228F33.4Very low33.8Very low142 Ų142134.5 Ų134.562%0.62371%0.708SS**  trans-93.9106.4166.7-73.5-73.8000106.3R226 V230R226-F228 VanDerWaalsContact C-N 3.25Å; R226-F228 HydrophobicContact CB-CD2 4.05Å; R226-F228 HydrophobicContact CB-CE2 3.64Å; R226-F228 HydrophobicContact CB-CZ 4.43Å; R226-F228 WeakPolarHBondContact O-CD2 3.24Å; R226-F228 PolarHBondContact O-N 3.04Å; F228-V230 PolarHBondContact O-N 3.39Å
229C27.4Very low34Very low131 Ų131134.9 Ų134.989%0.88572%0.716SS**  trans-60.7106.1160.9-88.30000107.9
230V33.1Very low33.9Very low122 Ų122138 Ų13874%0.73973%0.733SS**  trans-74.2127.7161.5-179.60000106.8F228 K232F228-V230 PolarHBondContact O-N 3.39Å; V230-K232 PolarHBondContact O-N 3.3Å; V230-K232 VanDerWaalsContact O-N 3.13Å
231P34Very low33.8Very low116 Ų116140.9 Ų140.975%0.75374%0.737SS**  trans-58.8118170.6-18.330.3000109.3E233P231-E233 PolarHBondContact O-N 3.12Å
232K31.2Very low33.9Very low198 Ų198142.8 Ų142.886%0.86175%0.745SS**  trans-74.7109.8161.7-80.2-178.8173.9-177.30106.6V230V230-K232 PolarHBondContact O-N 3.3Å; V230-K232 VanDerWaalsContact O-N 3.13Å
233E34.7Very low33.8Very low182 Ų182144.4 Ų144.485%0.8575%0.753SS**  trans175.6107.6162.7-97152.9-141.300104.8P231P231-E233 PolarHBondContact O-N 3.12Å
234T32.5Very low33.6Very low122 Ų122144.3 Ų144.375%0.74877%0.77SS**  -162.8112.372.8-390000107.6L236T234-L236 PolarHBondContact O-N 3.46Å
235E30.3Very low33.9Very low195 Ų195144.1 Ų144.191%0.91178%0.777SS**  trans-70.5106.7162.9-71.4-176.6163.200107.1S237E235-S237 PolarHBondContact O-N 3.15Å
236L33.6Very low34Very low138 Ų138150.1 Ų150.172%0.72379%0.788SS**  trans-82.794.7163.5-79.6166.8000107.3T234 F238T234-L236 PolarHBondContact O-N 3.46Å; L236-F238 HydrophobicContact CB-CE2 4.38Å; L236-F238 PolarHBondContact O-N 3.12Å
237S30.3Very low33.9Very low91 Ų91148.3 Ų148.364%0.63680%0.795SS**  trans-64.4118162.458.90000108.5E235E235-S237 PolarHBondContact O-N 3.15Å
238F36.9Very low34.2Very low186 Ų186152.1 Ų152.182%0.81680%0.799SS**  trans-97108.9158.1-80-83.7000107L236 D240L236-F238 HydrophobicContact CB-CE2 4.38Å; L236-F238 PolarHBondContact O-N 3.12Å; F238-D240 PolarHBondContact O-N 3.32Å
239D38.5Very low34.3Very low152 Ų152154.2 Ų154.281%0.81381%0.808SS**  trans-59.5126.2172.3-71.7-49.1000110E241D239-E241 PolarHBondContact O-N 3.27Å
240D31.7Very low34.6Very low161 Ų161154.7 Ų154.786%0.86180%0.801SS**  trans-90.394.3175.6-164.19.9000108F238F238-D240 PolarHBondContact O-N 3.32Å
241E38.1Very low34.6Very low168 Ų168160.1 Ų160.179%0.78581%0.808SS**  trans-136.1100.3162.5-94.1-15312000109.4D239D239-E241 PolarHBondContact O-N 3.27Å
242S40.5Very low34.6Very low120 Ų120158.4 Ų158.484%0.83980%0.799SS**  trans-166102.2135-82.20000110.9
243Q33.1Very low34.5Very low180 Ų180154.3 Ų154.384%0.84179%0.791SS**  trans-50.3140.6165.8-57167.811.400111.6
244S35Very low34.7Very low117 Ų117152.1 Ų152.182%0.81879%0.785SS**  164.2129127.8178.70000112.6
245A38.1Very low34.9Very low94 Ų94154.3 Ų154.378%0.77779%0.792SS**  trans78.682.6155.200000120.7
246R36.1Very low35.2Very low241 Ų241149.1 Ų149.191%0.90978%0.782SS**  trans-44.1177.2140.1-101.6-177.1177.91770.3114.5
247P36.4Very low35.5Very low113 Ų113150.7 Ų150.773%0.73479%0.791SS**  cis-141.3172.2-15.330.2-7.1000116.8
248R33.9Very low35.8Very low225 Ų225154.3 Ų154.385%0.84980%0.798SS**  trans-52.8156.7164.8-57.9166.4-178.11570114.2
249F34.3Very low35.9Very low187 Ų187153.4 Ų153.482%0.8280%0.798SS**  177.9118.5116.7-103.6-79.4000114.6
250L34.9Very low35.8Very low141 Ų141150.4 Ų150.474%0.73879%0.789SS**  trans35.7143.2139.5-64.5178000126.2
251R33.3Very low36Very low235 Ų235148.2 Ų148.289%0.88778%0.781SS**  trans77.8144.8145.8-85.6-178.7160.7171.6-5.8117.1
252S32.4Very low35.7Very low81 Ų81146.7 Ų146.757%0.56678%0.779SS**  cis179153.23.4168.20000107.1
253T30.9Very low35.4Very low112 Ų112147.4 Ų147.469%0.68778%0.778SS**  trans61.4143149.845.70000117.8
254D37.4Very low35.3Very low135 Ų135143.8 Ų143.872%0.72277%0.773SS**  cis-162.9151.64.7-91.4-36.9000105.7
255D37.1Very low35.2Very low168 Ų168144.8 Ų144.890%0.89877%0.774SS**  161.7133.9121.7-93.7-28.4000113.3
256A37Very low35Very low86 Ų86145.4 Ų145.471%0.71177%0.773SS**  trans-90.3161.9-179.300000111.7
257L39.7Very low35Very low172 Ų172142.9 Ų142.990%0.90177%0.771SS**  -175.7147.9126.8-97.3161.5000112.8
258E37.2Very low34.6Very low167 Ų167142.5 Ų142.578%0.7877%0.772SS**  trans-92.4-171.5-158.3-56.6-175.9132.500116.5
259M38.8Very low34.7Very low166 Ų166142.7 Ų142.782%0.81877%0.772SS**  trans92.3131.8159.2-75.5-165.1-101.300116.5
260S36.9Very low34.5Very low89 Ų89141.2 Ų141.262%0.62277%0.771SS**  cis-173.1144.111.6-100.80000110.9
261T34.3Very low34.3Very low115 Ų115137.9 Ų137.971%0.70677%0.771SS**  trans24.8147.7136.157.40000120.2
262D32.6Very low34Very low137 Ų137132.2 Ų132.273%0.73377%0.768SS**  cis-164.6159.88-89.1-33.4000103.4
263T34.4Very low33.8Very low135 Ų135133.7 Ų133.783%0.82878%0.778SS**  177.613980.4-26.90000108.4
264S30.4Very low33.7Very low104 Ų104133.1 Ų133.173%0.72778%0.778SS**  trans-70.7150.6171.547.70000112.3
265T33.7Very low33.5Very low138 Ų138132 Ų13285%0.84778%0.781SS**  trans-167.3131.6131.1-63.30000110.6
266S33.6Very low33.4Very low107 Ų107129.8 Ų129.875%0.74877%0.769SS**  trans-51.9140177.6-36.20000115.3
267Q34.8Very low34.1Very low187 Ų187127.7 Ų127.787%0.87475%0.748SS**  trans-156.7114.6141.3-112.217533.200112.7
268S28.9Very low34.9Very low106 Ų106123.5 Ų123.574%0.74172%0.721SS**  trans-40.4132160.6160.80000113.3
269R35.6Very low35.8Very low228 Ų228115.7 Ų115.786%0.8669%0.685SS**  trans-158100.3150.2-103171.6-156.7-164.85.8110.8
270I29.9Very low36.5Very low157 Ų157113.5 Ų113.581%0.80567%0.673SS**  trans17.1109.7130.1-55165.7000114.1
271G32.2Very low36.9Very low71 Ų71112.3 Ų112.373%0.73267%0.665SS**  trans-151.574.8172.300000110.3S273G271-S273 VanDerWaalsContact C-N 3.35Å; G271-S273 PolarHBondContact O-N 3.46Å
272S27.2Very low37.3Very low116 Ų116110.9 Ų110.981%0.81166%0.655SS**  trans-66.391.2171.1-54.90000109.6
273S28.1Very low37.5Very low112 Ų112114 Ų11478%0.78366%0.662SS**  trans-96.287.4166.1-1790000108.5G271G271-S273 VanDerWaalsContact C-N 3.35Å; G271-S273 PolarHBondContact O-N 3.46Å
274S28Very low37.7Very low99 Ų99112.4 Ų112.469%0.69266%0.657SS**  trans-101.173.4167.554.90000108.9L276S274-L276 VanDerWaalsContact C-N 3.26Å; S274-L276 PolarHBondContact O-N 3.3Å; S274-L276 VanDerWaalsContact O-N 3.11Å
275S32.2Very low37.7Very low112 Ų112113.1 Ų113.178%0.78366%0.661SS**  trans-74.885.4160.51790000107.7
276L35.8Very low37.4Very low122 Ų122112.2 Ų112.264%0.63966%0.66SS**  trans-89.3100.7169.8-69.7172.1000106.9S274 Y278S274-L276 VanDerWaalsContact C-N 3.26Å; S274-L276 PolarHBondContact O-N 3.3Å; S274-L276 VanDerWaalsContact O-N 3.11Å; L276-Y278 PolarHBondContact O-N 2.78Å
277S51.3Low37.3Very low41 Ų41114.6 Ų114.629%0.28766%0.664SS.*  trans-60.1119.7166.353.10000108I279 Q280S277-I279 PolarHBondContact O-N 3.44Å; S277-Q280 WeakPolarHBondContact OG-CG 3.4Å
278Y57.6Low37.2Very low84 Ų84111.6 Ų111.633%0.32966%0.66SS.*SBendtrans-70.9-14.1-174.9-74.2-85000112.8C20 L149 L276C20-Y278 VanDerWaalsContact SG-CA 3.55Å; C20-Y278 PolarHBondContact SG-O 3.42Å; L149-Y278 HydrophobicContact CD1-CD1 4.11Å; L149-Y278 HydrophobicContact CD2-CD1 4.33Å; L149-Y278 HydrophobicContact CD2-CG 4.11Å; L276-Y278 PolarHBondContact O-N 2.78Å
279I56.3Low37.3Very low4 Ų4113.1 Ų113.12%0.02167%0.665CS.*EExtended strand (participates in β ladder)trans-135.9112179.4-55.8175.8000106.9C17 F19 V32 F35 T39 F142 S277C17-I279 HydrophobicContact CB-CG2 3.97Å; F19-I279 HydrophobicContact CD1-CG1 4.14Å; F19-I279 HydrophobicContact CE1-CD1 4.11Å; F19-I279 HydrophobicContact CE1-CG1 4.02Å; V32-I279 HydrophobicContact CG1-CG2 4.34Å; F35-I279 HydrophobicContact CB-CD1 4.18Å; T39-I279 HydrophobicContact CG2-CD1 4.23Å; F142-I279 HydrophobicContact CE2-CD1 4.4Å; S277-I279 PolarHBondContact O-N 3.44Å
280Q51.7Low37.2Very low119 Ų119109.2 Ų109.256%0.55666%0.656SS**EExtended strand (participates in β ladder)trans-96.6117.4171.6-74.5-176.6-10.300109.4K18 S277K18-Q280 PolarHBondContact N-O 3.43Å; K18-Q280 PolarHBondContact O-N 3.15Å; S277-Q280 WeakPolarHBondContact OG-CG 3.4Å
281S45.8Very low37.5Very low65 Ų65108.8 Ų108.846%0.45565%0.648SS.*EExtended strand (participates in β ladder)trans-80.4115.5168.2-65.40000108.9V32 K283V32-S281 VanDerWaalsContact CG1-OG 3.27Å; V32-S281 WeakPolarHBondContact CG1-OG 3.25Å; S281-K283 PolarHBondContact O-N 3.16Å
282V42.2Very low37.6Very low84 Ų84114.4 Ų114.451%0.50965%0.653SS.*  trans-89.2106.2176.8-1690000107.3H16 S284H16-V282 PolarHBondContact O-N 3.08Å; V282-S284 PolarHBondContact O-N 2.91Å; V282-S284 VanDerWaalsContact O-N 3.14Å
283K38.7Very low38Very low202 Ų202116.5 Ų116.588%0.87865%0.654SS**  trans-66.8109.8165.2-78.3-176.8176.4-179.30107.3S281 C285S281-K283 PolarHBondContact O-N 3.16Å; K283-C285 PolarHBondContact O-N 3.12Å
284S38.3Very low38.4Very low103 Ų103116.4 Ų116.472%0.7265%0.651SS**PPolyproline II helixtrans-60.5125.7-178.536.10000111.6V282V282-S284 PolarHBondContact O-N 2.91Å; V282-S284 VanDerWaalsContact O-N 3.14Å
285C29.2Very low38.9Very low119 Ų119121 Ų12180%0.80466%0.658SS**PPolyproline II helixtrans-60.1132.6170.6-61.30000111.3K283K283-C285 PolarHBondContact O-N 3.12Å
286S28.2Very low39Very low119 Ų119123.3 Ų123.383%0.83266%0.662SS**PPolyproline II helixtrans-68.3127.9164.531.40000110.1
287L31.7Very low39.2Very low157 Ų157122.9 Ų122.982%0.82267%0.666SS**PPolyproline II helixtrans-98.8146.1166.3-73.1175000109.8
288P32Very low38.4Very low124 Ų124125.5 Ų125.581%0.80568%0.684SS**PPolyproline II helixtrans-76.2134.4-169.330.8-32.8000111.7
289V30.6Very low37.6Very low137 Ų137129.1 Ų129.183%0.8370%0.704SS**PPolyproline II helixtrans-89129.3166.5173.70000108.5
290E35.1Very low36.8Very low146 Ų146137.5 Ų137.568%0.68274%0.743SS**  trans163.7139.5145.7-91.8-162.3151.700107
291K35Very low36.2Very low148 Ų148135.5 Ų135.564%0.64376%0.755SS**  cis-171.1152.523.5-125.2163.3-178.1145.10109.8
292K35.5Very low35.9Very low190 Ų190140.5 Ų140.583%0.82677%0.771SS**  trans90.1110148.4-70.3176.8177.8-178.30121.8
293L34.6Very low35.9Very low159 Ų159147.6 Ų147.683%0.83279%0.79SS**  trans-58.7158.7148.1-130.485.3000111.3
294P36.2Very low36.1Very low111 Ų111143.5 Ų143.572%0.72178%0.782SS**  -155.6155.483.136.9-15.7000119.2
295K37.8Very low36Very low196 Ų196143.9 Ų143.985%0.85279%0.785SS**  trans67.7110.2139.4-69.7173.2180-177.90121.7
296N35.4Very low36.7Very low159 Ų159143.4 Ų143.485%0.8578%0.783SS**  trans-55.1173.2150.4-86.5-17.9000112.9
297P40.4Very low37.1Very low113 Ų113144.9 Ų144.973%0.73478%0.781SS**  cis-149-171.128.138.7-14.7000118.4
298S34.9Very low37.5Very low96 Ų96148.1 Ų148.167%0.67178%0.783SS**  trans84112.4149.465.60000121.7
299H40.8Very low37.8Very low160 Ų160151 Ų15174%0.74178%0.783SS**  -179.2110.6114.8-97.8-71.2000107.8
300E37.8Very low38.4Very low180 Ų180151.6 Ų151.684%0.84178%0.781SS**  61.811892.7-78.8-173.2158.500115.2
301G39.3Very low38.8Very low78 Ų78152.7 Ų152.780%0.80479%0.786SS**  trans171.579.5174.300000112.8
302H39.5Very low39.1Very low169 Ų169153.7 Ų153.778%0.78279%0.793SS**  trans-55148.6172.3-78.3-80.4000114
303Y43.7Very low39Very low233 Ų233150.5 Ų150.591%0.91479%0.79SS**  -169.6147.1120.7-101.5-74.9000111.2
304T41.2Very low39Very low116 Ų116149.5 Ų149.571%0.71279%0.794SS**  trans-105.9144.8-154.643.70000115.2
305S37.1Very low38.9Very low112 Ų112150.1 Ų150.178%0.78380%0.797SS**  trans25.4128.2134.3159.90000121.8
306S42.9Very low39Very low109 Ų109146.3 Ų146.376%0.76280%0.795SS**  -170.7108116.465.70000114.6
307N37.2Very low39.2Very low150 Ų150147 Ų14780%0.80279%0.793SS**  34.3149.3120.3-109.9-13.1000125.6
308R40.9Very low39.2Very low224 Ų224151.4 Ų151.485%0.84580%0.801SS**  trans89.7108.5159.5-67.8-179178.1-176.3-1.2116.5
309K38.5Very low39.2Very low185 Ų185151.3 Ų151.380%0.80480%0.8SS**  75.7130.572.7-85.1-161.9178-172.10112.9
310D43.2Very low38.9Very low150 Ų150150.9 Ų150.980%0.80280%0.803SS**  trans132.3147149.9-60.3-16.6000109.2
311E43Very low39Very low168 Ų168146.7 Ų146.779%0.78579%0.793SS**  cis-178.2171.2-29-164.8166.6-153.700103.5
312E41.7Very low38.9Very low170 Ų170149.9 Ų149.979%0.79480%0.798SS**  trans88.885.4158.4-53.7-165.6152.400121.2
313T32.3Very low38.7Very low123 Ų123145.2 Ų145.276%0.75580%0.795SS**  1.3133.8123.1-33.30000120.1
314C35.5Very low38.4Very low137 Ų137141 Ų14193%0.92679%0.789SS**  trans-154.4119.5137.3-118.30000112.2
315T33.6Very low38.3Very low125 Ų125142.9 Ų142.977%0.76779%0.793SS**  trans-89.9142.6170.742.20000110.6
316S41Very low38.3Very low116 Ų116146.8 Ų146.881%0.81180%0.802SS**  trans-147.9113151.673.70000111.2
317E39.6Very low38.1Very low174 Ų174147.1 Ų147.181%0.81380%0.804SS**  trans-72.4146.1164.7-61.9178.2145.900110.1
318F38.8Very low38.1Very low205 Ų205145.9 Ų145.990%0.89980%0.804SS**  trans-141.199.9153.8-109.4-81.6000108.8
319S35.1Very low37.8Very low93 Ų93140.5 Ų140.565%0.6580%0.801SS**  trans-73.5145.9153.1-41.80000107.9
320D35.6Very low37.7Very low151 Ų151140.1 Ų140.181%0.80780%0.802SS**  154.1156.6103.2-138-10.6000113.6
321S39Very low37.3Very low92 Ų92139.9 Ų139.964%0.64380%0.8SS**  trans75.1101.1157.867.80000119.3
322T37.2Very low36.8Very low145 Ų145136.7 Ų136.789%0.8980%0.796SS**  59.711786.553.20000115.9
323G36.7Very low36.4Very low71 Ų71137.4 Ų137.473%0.73280%0.796SS**  trans-179100.7167.800000113.3
324D35.7Very low36.6Very low146 Ų146140 Ų14078%0.78180%0.8SS**  trans73.1109.4141.5-65.6-19.6000124.1
325L39Very low36.7Very low154 Ų154140.1 Ų140.181%0.80679%0.791SS**  44.7106112.3-68.5160.7000118.5
326M37.6Very low36.8Very low195 Ų195143.9 Ų143.996%0.96180%0.801SS**  -167.7129.6120.9-105.6-168.8169.200111.3
327S39Very low36.7Very low116 Ų116142.2 Ų142.281%0.81179%0.789SS**  trans-93.7163.9177.5-73.40000111.3
328P37.6Very low36.3Very low123 Ų123142.2 Ų142.280%0.79979%0.789SS**  trans-105.7145.7-143.637.8-30.5000114
329S34.6Very low36.6Very low111 Ų111138.8 Ų138.878%0.77677%0.771SS**  trans-165144.8160.526.50000109.4
330E36Very low36.7Very low178 Ų178140 Ų14083%0.83278%0.777SS**  trans95.6138.7167.7-51.5-169.216000118.8
331L34.6Very low36.6Very low144 Ų144142.5 Ų142.575%0.75478%0.776SS**  trans89.571.8164.4-66.6126.2000118
332S32.6Very low36.3Very low102 Ų102143.6 Ų143.671%0.71378%0.782SS**  trans-59.7145.2131.545.80000111.4
333K34.4Very low36.2Very low184 Ų184140.4 Ų140.480%0.877%0.766SS**  trans93.3144178.1-55.5174.4-179.6177.50114.3
334E35.4Very low36.1Very low179 Ų179144.8 Ų144.884%0.83677%0.767SS**  trans82.9121.8179-50.1173.3-174.800113.2
335D37.1Very low36Very low138 Ų138145.8 Ų145.874%0.73877%0.767SS**  cis-135.1112.526.8-80.7-46.8000111.4
336E36.9Very low35.7Very low205 Ų205148.3 Ų148.396%0.95877%0.772SS**  trans-101.683.2150.2-72.7-152.9141.900107.3
337S37.2Very low35.5Very low80 Ų80147 Ų14756%0.55976%0.763SS**  trans-151.7135.4169.854.10000111.5
338E33.1Very low35.2Very low174 Ų174151.2 Ų151.281%0.81377%0.767SS**  trans61.292.8158.4-72.9177.5136.100119.3
339Y43.5Very low35Very low134 Ų134151.5 Ų151.553%0.52576%0.762SS.*  -122.2117.9128.8-83.1-91.6000107.4Y341Y339-Y341 PolarHBondContact O-N 3.11Å
340P37.3Very low35.1Very low119 Ų119152.8 Ų152.877%0.77377%0.765SS**  trans-68.5127.5171.227.6-29.7000108.7C342P340-C342 PolarHBondContact O-N 3.11Å
341Y34.3Very low35Very low203 Ų203151.4 Ų151.480%0.79676%0.764SS**  trans-68111170.7-166.6-103.3000107.6Y339 S343Y339-Y341 PolarHBondContact O-N 3.11Å; Y341-S343 WeakPolarHBondContact CD1-OG 3.35Å; Y341-S343 WeakPolarHBondContact CE1-OG 3.23Å; Y341-S343 PolarHBondContact O-N 3.31Å
342C33.2Very low35Very low114 Ų114152.1 Ų152.177%0.7777%0.765SS**  trans-88.8103.5169.7-161.70000108P340P340-C342 PolarHBondContact O-N 3.11Å
343S34.4Very low35.1Very low78 Ų78155.8 Ų155.855%0.54577%0.769SS.*  trans-126.891.5161.7-72.90000106.9Y341Y341-S343 WeakPolarHBondContact CD1-OG 3.35Å; Y341-S343 WeakPolarHBondContact CE1-OG 3.23Å; Y341-S343 PolarHBondContact O-N 3.31Å
344Q34.4Very low35Very low164 Ų164151.2 Ų151.277%0.76676%0.76SS**  trans-96.5105.9155.3-80.7179.9-24.600105.3
345E33.6Very low34.8Very low167 Ų167149.6 Ų149.678%0.7876%0.757SS**  72.2105.490.3-77-179.2175.400112.5
346K31.8Very low34.6Very low207 Ų207149 Ų14990%0.976%0.762SS**  trans-141109.7130.1-102.5-175.6179.9-178.60107.6
347E33.8Very low34.3Very low168 Ų168144.2 Ų144.279%0.78575%0.751SS**  trans-51.5136.9164.1-73.6165.5136.900110.2
348F34.4Very low34.2Very low203 Ų203147.6 Ų147.689%0.8977%0.769SS**  trans-130.4103.9149.2-114.2-85.7000106.2
349D32.8Very low34.2Very low129 Ų129142.9 Ų142.969%0.6977%0.767SS**  trans-57133.7168.1-89.8-42.4000110.4
350T37.2Very low33.5Very low138 Ų138142 Ų14285%0.84778%0.781SS**  trans-149.886.3147.9-6.30000108.4M352T350-M352 PolarHBondContact O-N 3.08Å
351N33.1Very low33.4Very low149 Ų149145.3 Ų145.380%0.79779%0.788SS**  trans-52.9120.3154.9-90.7-36.3000109.3
352M35.2Very low33.3Very low159 Ų159147 Ų14778%0.78379%0.793SS**  trans-169.4132.4134.2-118.9-174.5162.300113.3T350T350-M352 PolarHBondContact O-N 3.08Å
353F34.3Very low33.4Very low180 Ų180150.8 Ų150.879%0.78980%0.796SS**  trans87.687.5164.7-64.2-71.6000119.6
354S31.9Very low33.3Very low88 Ų88152.3 Ų152.362%0.61581%0.807SS**  trans-66.3156.3150.161.70000113.8
355N31Very low33.3Very low144 Ų144151.5 Ų151.577%0.7781%0.813SS**  trans93.1108.3148-60.2-18.9000119.2
356C32.2Very low33.3Very low125 Ų125151.1 Ų151.185%0.84581%0.811SS**  157.189.4127.5-85.20000107.3
357S31.1Very low33.6Very low105 Ų105149.1 Ų149.173%0.73481%0.805SS**  53.6121.379.7-70.20000115.8
358T36.5Very low33.6Very low151 Ų151149.3 Ų149.393%0.92681%0.81SS**  trans86.2134.7156.668.80000119.7
359G32.3Very low33.5Very low76 Ų76147.4 Ų147.478%0.78481%0.808SS**  trans134.169.8147.800000117.4
360S29.4Very low33.6Very low116 Ų116146.8 Ų146.881%0.81181%0.812SS**  trans-58.8136.9157174.70000110.9
361M35.5Very low33.5Very low187 Ų187145 Ų14592%0.92181%0.805SS**  trans-174.6127.5130.7-81.6-131.6-167.700111.8
362R31.2Very low33.6Very low239 Ų239146.7 Ų146.790%0.90281%0.808SS**  trans-70.3143.3160.8-76.4173.6166.7177.2-4.3110.4
363K35.7Very low33.5Very low193 Ų193146.9 Ų146.984%0.83981%0.812SS**  trans165.9114.8132.6-92.5167.5-178.1-177.30108
364S32.2Very low33.5Very low110 Ų110145.2 Ų145.277%0.76982%0.817SS**  65.4115.497.4-47.70000112.5
365V34.7Very low33.5Very low148 Ų148149.6 Ų149.690%0.89783%0.827SS**  -177.6134.5127.8152.70000109.1
366Q33.6Very low33.6Very low159 Ų159152.4 Ų152.474%0.74383%0.833SS**  trans-72.6171.5177.9-69.7159.9-49.200112.5
367H37.3Very low33.5Very low165 Ų165156.3 Ų156.376%0.76484%0.836SS**  trans87.3102.9162.4-61.6-75.4000116.7
368L34.9Very low33.5Very low172 Ų172157.8 Ų157.890%0.90184%0.844SS**  176.9113.2108.6-86.4155.1000108.9
369L31.6Very low33.2Very low162 Ų162158.7 Ų158.785%0.84884%0.838SS**  trans-87.6154.6159.4-75.6167.7000107.9
370P35.5Very low33.2Very low117 Ų117160.8 Ų160.876%0.7684%0.841SS**  -131.5137.587.317.14.4000111.3
371S33.8Very low33.4Very low101 Ų101164.7 Ų164.771%0.70684%0.844SS**  50.477.685.6178.50000113
372E34.9Very low33.2Very low183 Ų183162.8 Ų162.886%0.85584%0.836SS**  trans-172150.8146-98.8156.8-152.700106.3
373D34.9Very low33.3Very low163 Ų163157.3 Ų157.387%0.87283%0.829SS**  trans82.756.8-175-52.2-23.1000117.8
374V33.4Very low33.1Very low146 Ų146153.4 Ų153.489%0.88582%0.824SS**  trans-10357.6155.6-172.20000109
375E32.7Very low33.1Very low180 Ų180159.2 Ų159.284%0.84183%0.829SS**  trans-149.747.5172.9-77-157.6155.500112.6
376F31.8Very low33.1Very low202 Ų202160 Ų16089%0.88683%0.826SS**SBendtrans-156.150173.9-115.2-78.4000114.4
377F30.9Very low33.1Very low208 Ų208157 Ų15791%0.91282%0.823SS**SBendtrans-150.526.8173.7-121.4-83.6000117.4
378C31Very low33.1Very low135 Ų135163.7 Ų163.791%0.91284%0.844SS**SBendtrans-127.213.5176.9-80.50000116.5
379Q30.8Very low33Very low171 Ų171163.3 Ų163.380%0.79984%0.841SS**SBendtrans-116.36.5-171.3-100.6176.3-0.400117.9
380S31.8Very low33.1Very low120 Ų120163.4 Ų163.484%0.83984%0.84SS**SBendtrans-110.19.5-176.6-49.60000115.9
381F34.1Very low33Very low197 Ų197165.9 Ų165.986%0.86485%0.845SS**  trans-111.657.2168.7-79.2-83.3000111
382L30.2Very low32.9Very low147 Ų147169.8 Ų169.877%0.7785%0.853SS**  trans-10988.7161.4-80.2165.9000107.8P384L382-P384 WeakPolarHBondContact O-CD 3.37Å
383V33.2Very low32.8Very low124 Ų124168.9 Ų168.975%0.75285%0.853SS**  trans-55.7121.8152.6174.70000106R385V383-R385 PolarHBondContact O-N 3.27Å; V383-R385 VanDerWaalsContact O-N 3.08Å
384P31.9Very low32.6Very low112 Ų112169.3 Ų169.373%0.72785%0.852SS**  trans-61.3118.6170.6-14.628.1000107.4L382 I386L382-P384 WeakPolarHBondContact O-CD 3.37Å; P384-I386 PolarHBondContact O-N 3.5Å
385R32.1Very low32.6Very low231 Ų231171 Ų17187%0.87285%0.849SS**  trans-54.5109.9161.9-77.7179.8168.3173.9-3.7107.1V383 S387V383-R385 PolarHBondContact O-N 3.27Å; V383-R385 VanDerWaalsContact O-N 3.08Å; R385-S387 PolarHBondContact O-N 3.42Å
386I34.2Very low32.6Very low165 Ų165170.3 Ų170.385%0.84685%0.85SS**  trans-78.1100.4155.5-60.3176.2000104.6P384P384-I386 PolarHBondContact O-N 3.5Å
387S33.9Very low32.6Very low95 Ų95167.7 Ų167.766%0.66485%0.847SS**  trans-64.1145.2160.8-44.60000108.3R385R385-S387 PolarHBondContact O-N 3.42Å
388Y37.5Very low32.8Very low307 Ų307164 Ų164100%1.20484%0.841SS**  trans-28.90178.9-71.5-87.1000117.4

Retrieved 388 of 388 residues in 272.5 ms (Link to these results)

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