A0A060YKY1_ONCMY Loading...

Transmembrane protein 203

AlphaFold DB , UniProt , Accession A0A060YKY1, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110523567, Length 138 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
1M40.6Very low54.5Low240 Ų240121.5 Ų121.5100%1.18258%0.583SS**  099.50-73.7173170.800107.1
2L46.9Very low54.8Low180 Ų180114.6 Ų114.694%0.94255%0.551SS**  trans-77.5119173.9-90.4149.1000106.8S4L2-S4 PolarHBondContact O-N 3.4Å
3F49Very low55.1Low140 Ų140106.2 Ų106.261%0.61451%0.514SS*.  trans-44.7132.1175.1-78.3-87.4000110.3L5F3-L5 PolarHBondContact O-N 3.26Å
4S65.4Low55.6Low61 Ų6199.3 Ų99.343%0.42748%0.48SS..  trans-62132.4175-179.30000108.3L2 R6 E7 L8L2-S4 PolarHBondContact O-N 3.4Å; S4-R6 PolarHBondContact O-N 3.41Å; S4-E7 PolarHBondContact N-OE2 3.45Å; S4-E7 WeakPolarHBondContact O-CA 3.5Å; S4-E7 WeakPolarHBondContact O-CB 3.44Å; S4-E7 PolarHBondContact O-N 3.05Å; S4-L8 PolarHBondContact O-N 3.48Å; S4-L8 VanDerWaalsContact O-N 3.08Å
5L54.5Low56.4Low116 Ų11694.9 Ų94.961%0.60747%0.466SS*.Hα-helixtrans-49.4-30177-97.5152.3000112.2F3 V9F3-L5 PolarHBondContact O-N 3.26Å; L5-V9 VanDerWaalsContact O-CB 3.24Å; L5-V9 WeakPolarHBondContact O-CB 3.37Å; L5-V9 WeakPolarHBondContact O-CG2 3.27Å; L5-V9 PolarHBondContact O-N 3.16Å
6R56.7Low57.5Low208 Ų20894.9 Ų94.979%0.78547%0.473SS*.Hα-helixtrans-68.3-41.8174.5-72.3-174.9178-140.1-0.1113.3S4 V9 Q10S4-R6 PolarHBondContact O-N 3.41Å; R6-V9 PolarHBondContact O-N 3.48Å; R6-Q10 VanDerWaalsContact O-CB 3.23Å; R6-Q10 WeakPolarHBondContact O-CB 3.43Å; R6-Q10 PolarHBondContact O-N 3.07Å
7E57.4Low58.4Low101 Ų10196.2 Ų96.247%0.47248%0.476SS..Hα-helixtrans-66.6-44.2176.6-71.9167.3156.900110.1S4 V9 Q10 W11S4-E7 PolarHBondContact N-OE2 3.45Å; S4-E7 WeakPolarHBondContact O-CA 3.5Å; S4-E7 WeakPolarHBondContact O-CB 3.44Å; S4-E7 PolarHBondContact O-N 3.05Å; E7-V9 VanDerWaalsContact C-N 3.34Å; E7-V9 PolarHBondContact O-N 3.11Å; E7-Q10 CarbonylContact O-C 3.59Å; E7-Q10 PolarHBondContact O-N 3.42Å; E7-Q10 VanDerWaalsContact O-N 3.13Å; E7-W11 VanDerWaalsContact O-CB 3.26Å; E7-W11 WeakPolarHBondContact O-CB 3.48Å; E7-W11 VanDerWaalsContact O-CG 3.23Å; E7-W11 PolarHBondContact O-N 3.38Å
8L55.9Low59.4Low71 Ų7191.2 Ų91.237%0.37245%0.451SS..Hα-helixtrans-63-41.5177-16171.6000111.6S4 Q10 W11 L12 L19S4-L8 PolarHBondContact O-N 3.48Å; S4-L8 VanDerWaalsContact O-N 3.08Å; L8-Q10 VanDerWaalsContact C-N 3.34Å; L8-Q10 PolarHBondContact O-N 3.5Å; L8-W11 PolarHBondContact O-N 3.28Å; L8-L12 VanDerWaalsContact O-CB 3.22Å; L8-L12 WeakPolarHBondContact O-CB 3.47Å; L8-L12 PolarHBondContact O-N 3.17Å; L8-L19 HydrophobicContact CD2-CD1 4.28Å
9V58.8Low60.3Low30 Ų3088.4 Ų88.418%0.18244%0.438CS..Hα-helixtrans-61.9-40173.21590000111.8L5 R6 E7 G13 F14 L19L5-V9 VanDerWaalsContact O-CB 3.24Å; L5-V9 WeakPolarHBondContact O-CB 3.37Å; L5-V9 WeakPolarHBondContact O-CG2 3.27Å; L5-V9 PolarHBondContact O-N 3.16Å; R6-V9 PolarHBondContact O-N 3.48Å; E7-V9 VanDerWaalsContact C-N 3.34Å; E7-V9 PolarHBondContact O-N 3.11Å; V9-G13 VanDerWaalsContact O-CA 3.28Å; V9-G13 WeakPolarHBondContact O-CA 3.45Å; V9-G13 PolarHBondContact O-N 3.32Å; V9-F14 WeakPolarHBondContact CG1-O 3.04Å; V9-L19 HydrophobicContact CG2-CD1 4.31Å
10Q57.9Low61.4Low128 Ų12891.8 Ų91.860%0.59845%0.45SS*.Hα-helixtrans-72.3-31.3178.7-166.8155.8-29.100112.4R6 E7 L8 R133R6-Q10 VanDerWaalsContact O-CB 3.23Å; R6-Q10 WeakPolarHBondContact O-CB 3.43Å; R6-Q10 PolarHBondContact O-N 3.07Å; E7-Q10 CarbonylContact O-C 3.59Å; E7-Q10 PolarHBondContact O-N 3.42Å; E7-Q10 VanDerWaalsContact O-N 3.13Å; L8-Q10 VanDerWaalsContact C-N 3.34Å; L8-Q10 PolarHBondContact O-N 3.5Å; Q10-R133 PolarHBondContact O-NH2 2.79Å
11W56.1Low62.5Low62 Ų6289.2 Ų89.224%0.23544%0.438CS..Hα-helixtrans-84.4-39.4-179.6-75.841.4000113.2E7 L8 R133 A134E7-W11 VanDerWaalsContact O-CB 3.26Å; E7-W11 WeakPolarHBondContact O-CB 3.48Å; E7-W11 VanDerWaalsContact O-CG 3.23Å; E7-W11 PolarHBondContact O-N 3.38Å; L8-W11 PolarHBondContact O-N 3.28Å; W11-R133 WeakPolarHBondContact O-CD 3.34Å; W11-R133 PolarHBondContact O-NE 3.13Å; W11-R133 PolarHBondContact O-NH1 3.08Å; W11-R133 PolarHBondContact O-NH2 3.44Å; W11-A134 HydrophobicContact CE3-CB 3.78Å; W11-A134 VanDerWaalsContact CH2-CA 3.43Å; W11-A134 HydrophobicContact CH2-CB 3.24Å; W11-A134 HydrophobicContact CZ2-CB 4.24Å; W11-A134 HydrophobicContact CZ3-CB 2.97Å
12L58Low64.5Low38 Ų3879.5 Ų79.520%0.19939%0.39CS..Hα-helixtrans-77.5-31.3175.2-138.774.3000109.9L8 F14 L130 R133L8-L12 VanDerWaalsContact O-CB 3.22Å; L8-L12 WeakPolarHBondContact O-CB 3.47Å; L8-L12 PolarHBondContact O-N 3.17Å; L12-F14 HydrophobicContact CB-CB 4.35Å; L12-F14 HydrophobicContact CB-CD2 3.66Å; L12-F14 HydrophobicContact CB-CE2 4.43Å; L12-F14 HydrophobicContact CB-CG 4.43Å; L12-F14 HydrophobicContact CD2-CB 4.16Å; L12-F14 HydrophobicContact CD2-CD2 3.32Å; L12-F14 HydrophobicContact CD2-CE2 3.71Å; L12-F14 HydrophobicContact CD2-CG 3.84Å; L12-F14 HydrophobicContact CG-CD2 3.3Å; L12-F14 HydrophobicContact CG-CE2 3.64Å; L12-F14 HydrophobicContact CG-CG 4.24Å; L12-F14 WeakPolarHBondContact O-CD2 3.5Å; L12-F14 PolarHBondContact O-N 2.95Å; L12-L130 HydrophobicContact CD1-CD2 3.81Å; L12-R133 PolarHBondContact O-NH1 2.85Å
13G59Low66.2Low6 Ų675.5 Ų75.56%0.06237%0.369CS..  trans79.30.1-173.800000113.7V9 R83V9-G13 VanDerWaalsContact O-CA 3.28Å; V9-G13 WeakPolarHBondContact O-CA 3.45Å; V9-G13 PolarHBondContact O-N 3.32Å; G13-R83 PolarHBondContact O-NE 3.42Å; G13-R83 PolarHBondContact O-NH2 2.95Å
14F61.5Low68Low9 Ų970.3 Ų70.34%0.03936%0.355CS..  trans-79.6148.6-179.6-79.2-103.6000112.2V9 L12 E18 V87 V90 L91V9-F14 WeakPolarHBondContact CG1-O 3.04Å; L12-F14 HydrophobicContact CB-CB 4.35Å; L12-F14 HydrophobicContact CB-CD2 3.66Å; L12-F14 HydrophobicContact CB-CE2 4.43Å; L12-F14 HydrophobicContact CB-CG 4.43Å; L12-F14 HydrophobicContact CD2-CB 4.16Å; L12-F14 HydrophobicContact CD2-CD2 3.32Å; L12-F14 HydrophobicContact CD2-CE2 3.71Å; L12-F14 HydrophobicContact CD2-CG 3.84Å; L12-F14 HydrophobicContact CG-CD2 3.3Å; L12-F14 HydrophobicContact CG-CE2 3.64Å; L12-F14 HydrophobicContact CG-CG 4.24Å; L12-F14 WeakPolarHBondContact O-CD2 3.5Å; L12-F14 PolarHBondContact O-N 2.95Å; F14-E18 VanDerWaalsContact CA-OE2 3.22Å; F14-E18 WeakPolarHBondContact CA-OE2 3.42Å; F14-E18 HydrophobicContact CB-CB 4.46Å; F14-E18 WeakPolarHBondContact CB-OE2 3.45Å; F14-E18 HydrophobicContact CD1-CB 3.75Å; F14-E18 HydrophobicContact CD1-CG 4.32Å; F14-E18 WeakPolarHBondContact CD1-OE2 3.29Å; F14-V87 HydrophobicContact CD1-CG1 4.45Å; F14-V87 HydrophobicContact CD2-CG1 4.35Å; F14-V87 HydrophobicContact CD2-CG2 4.46Å; F14-V87 HydrophobicContact CE1-CG1 4.08Å; F14-V87 HydrophobicContact CE2-CG1 3.98Å; F14-V87 HydrophobicContact CZ-CG1 3.88Å; F14-V90 HydrophobicContact CE2-CG1 3.94Å; F14-V90 HydrophobicContact CZ-CG1 4.22Å; F14-L91 HydrophobicContact CE1-CD1 3.41Å; F14-L91 VanDerWaalsContact CE1-CD1 3.41Å; F14-L91 HydrophobicContact CE1-CG 4.41Å; F14-L91 HydrophobicContact CE2-CD1 4.42Å; F14-L91 HydrophobicContact CZ-CD1 3.3Å; F14-L91 HydrophobicContact CZ-CG 4.27Å
15A68.7Low68.9Low33 Ų3368 Ų6827%0.27334%0.339SS..  trans-70.1150170.100000110.7F17 E18 L19 F63A15-F17 PolarHBondContact O-N 3.26Å; A15-F17 VanDerWaalsContact O-N 3.09Å; A15-E18 HydrophobicContact CB-CG 4.29Å; A15-E18 PolarHBondContact N-OE2 3.49Å; A15-E18 PolarHBondContact O-N 3.06Å; A15-L19 PolarHBondContact O-N 3.08Å; A15-F63 HydrophobicContact CB-CE1 3.9Å
16T72.9Confident70.3Confident95 Ų9567.1 Ų67.158%0.58334%0.335SS*.Hα-helixtrans-54.3-31.6174.1-46.10000112.1F20T16-F20 PolarHBondContact O-N 3.34Å; T16-F20 VanDerWaalsContact O-N 3.11Å
17F74.1Confident71.7Confident118 Ų11862.7 Ų62.752%0.51833%0.326SS..Hα-helixtrans-65.4-44.5175.6-178.5-100.7000113.2A15 L19 F20 L21A15-F17 PolarHBondContact O-N 3.26Å; A15-F17 VanDerWaalsContact O-N 3.09Å; F17-L19 VanDerWaalsContact C-N 3.27Å; F17-L19 PolarHBondContact O-N 3.44Å; F17-F20 PolarHBondContact O-N 3.09Å; F17-L21 HydrophobicContact CE1-CD1 3.85Å; F17-L21 HydrophobicContact CZ-CD1 3.92Å; F17-L21 WeakPolarHBondContact O-CB 3.37Å; F17-L21 PolarHBondContact O-N 3.09Å
18E75.5Confident73.1Confident5 Ų561.2 Ų61.22%0.02332%0.324CS..Hα-helixtrans-62.8-39.7178.2-65.3172.2142.700110.5F14 A15 F20 L21 Q22 F63 T64F14-E18 VanDerWaalsContact CA-OE2 3.22Å; F14-E18 WeakPolarHBondContact CA-OE2 3.42Å; F14-E18 HydrophobicContact CB-CB 4.46Å; F14-E18 WeakPolarHBondContact CB-OE2 3.45Å; F14-E18 HydrophobicContact CD1-CB 3.75Å; F14-E18 HydrophobicContact CD1-CG 4.32Å; F14-E18 WeakPolarHBondContact CD1-OE2 3.29Å; A15-E18 HydrophobicContact CB-CG 4.29Å; A15-E18 PolarHBondContact N-OE2 3.49Å; A15-E18 PolarHBondContact O-N 3.06Å; E18-F20 VanDerWaalsContact C-N 3.35Å; E18-F20 PolarHBondContact O-N 3.02Å; E18-L21 WeakPolarHBondContact O-CB 3.13Å; E18-L21 PolarHBondContact O-N 3.4Å; E18-Q22 PolarHBondContact O-N 2.86Å; E18-Q22 PolarHBondContact O-OE1 3.37Å; E18-Q22 VanDerWaalsContact O-OE1 3.07Å; E18-F63 HydrophobicContact CG-CD1 4Å; E18-F63 WeakPolarHBondContact OE1-CD1 3.41Å; E18-T64 PolarHBondContact OE1-OG1 3.48Å
19L77.7Confident74.5Confident39 Ų3959.6 Ų59.620%0.20431%0.314CS..Hα-helixtrans-61.6-43176.1-131.6161.5000111.7L8 V9 A15 F17 L21 L23L8-L19 HydrophobicContact CD2-CD1 4.28Å; V9-L19 HydrophobicContact CG2-CD1 4.31Å; A15-L19 PolarHBondContact O-N 3.08Å; F17-L19 VanDerWaalsContact C-N 3.27Å; F17-L19 PolarHBondContact O-N 3.44Å; L19-L21 VanDerWaalsContact C-N 3.35Å; L19-L23 WeakPolarHBondContact O-CB 3.03Å; L19-L23 PolarHBondContact O-N 3.32Å
20F82.1Confident75.7Confident156 Ų15661.7 Ų61.768%0.68433%0.329SS*.Hα-helixtrans-65.6-38.5175.6-167-97.4000112.1T16 F17 E18 L23 G24T16-F20 PolarHBondContact O-N 3.34Å; T16-F20 VanDerWaalsContact O-N 3.11Å; F17-F20 PolarHBondContact O-N 3.09Å; E18-F20 VanDerWaalsContact C-N 3.35Å; E18-F20 PolarHBondContact O-N 3.02Å; F20-L23 PolarHBondContact O-N 2.92Å; F20-G24 PolarHBondContact O-N 2.95Å
21L83.7Confident77.1Confident37 Ų3759.7 Ų59.719%0.19433%0.326CS..Hα-helixtrans-65.4-44.4177.8-159.6120.1000111.6F17 E18 L19 G24 A25 A56 L59F17-L21 HydrophobicContact CE1-CD1 3.85Å; F17-L21 HydrophobicContact CZ-CD1 3.92Å; F17-L21 WeakPolarHBondContact O-CB 3.37Å; F17-L21 PolarHBondContact O-N 3.09Å; E18-L21 WeakPolarHBondContact O-CB 3.13Å; E18-L21 PolarHBondContact O-N 3.4Å; L19-L21 VanDerWaalsContact C-N 3.35Å; L21-G24 PolarHBondContact O-N 2.95Å; L21-A25 WeakPolarHBondContact O-CB 3.28Å; L21-A25 PolarHBondContact O-N 2.84Å; L21-A56 HydrophobicContact CD2-CB 3.71Å; L21-A56 WeakPolarHBondContact CD2-O 3.22Å; L21-L59 HydrophobicContact CD1-CD2 3.56Å; L21-L59 HydrophobicContact CD2-CB 3.8Å; L21-L59 HydrophobicContact CD2-CD2 4.18Å
22Q82.3Confident78.4Confident36 Ų3659.4 Ų59.417%0.16833%0.329CS..Hα-helixtrans-61.7-41.5172.5-114.797.2-3.600111.8E18 A25 L26 S60E18-Q22 PolarHBondContact O-N 2.86Å; E18-Q22 PolarHBondContact O-OE1 3.37Å; E18-Q22 VanDerWaalsContact O-OE1 3.07Å; Q22-A25 PolarHBondContact O-N 2.72Å; Q22-L26 WeakPolarHBondContact O-CB 3.37Å; Q22-L26 PolarHBondContact O-N 3.46Å; Q22-S60 PolarHBondContact OE1-OG 3.44Å
23L83.6Confident79.5Confident97 Ų9760 Ų6051%0.50833%0.334SS..Hα-helixtrans-64.7-43.4178.6-15193.9000111.5L19 F20 L26 L27L19-L23 WeakPolarHBondContact O-CB 3.03Å; L19-L23 PolarHBondContact O-N 3.32Å; F20-L23 PolarHBondContact O-N 2.92Å; L23-L26 PolarHBondContact O-N 3.37Å; L23-L27 PolarHBondContact O-N 3.3Å
24G85.6Confident80.6Confident31 Ų3162 Ų6232%0.3235%0.35SS..Hα-helixtrans-62.1-44.1175.500000112.1F20 L21 L26 L27 V28F20-G24 PolarHBondContact O-N 2.95Å; L21-G24 PolarHBondContact O-N 2.95Å; G24-L26 VanDerWaalsContact C-N 3.35Å; G24-L26 PolarHBondContact O-N 3.32Å; G24-L27 PolarHBondContact O-N 3.09Å; G24-V28 WeakPolarHBondContact O-CG2 3.13Å; G24-V28 PolarHBondContact O-N 3.36Å
25A85.7Confident81.6Confident11 Ų1166.3 Ų66.39%0.09137%0.372CS..Hα-helixtrans-64.3-38.5175.900000112.9L21 Q22 L27 V28 F29 A56L21-A25 WeakPolarHBondContact O-CB 3.28Å; L21-A25 PolarHBondContact O-N 2.84Å; Q22-A25 PolarHBondContact O-N 2.72Å; A25-L27 VanDerWaalsContact C-N 3.35Å; A25-V28 PolarHBondContact O-N 2.9Å; A25-F29 VanDerWaalsContact O-CB 3.26Å; A25-F29 WeakPolarHBondContact O-CB 3.39Å; A25-F29 PolarHBondContact O-N 3.31Å; A25-A56 HydrophobicContact CB-CB 3.34Å
26L83.8Confident81.9Confident99 Ų9966.3 Ų66.352%0.51837%0.365SS..Hα-helixtrans-63.8-39.8174.8-171.672.4000111.8Q22 L23 G24 F29 S30Q22-L26 WeakPolarHBondContact O-CB 3.37Å; Q22-L26 PolarHBondContact O-N 3.46Å; L23-L26 PolarHBondContact O-N 3.37Å; G24-L26 VanDerWaalsContact C-N 3.35Å; G24-L26 PolarHBondContact O-N 3.32Å; L26-F29 PolarHBondContact O-N 3.43Å; L26-S30 WeakPolarHBondContact O-CB 3.13Å; L26-S30 PolarHBondContact O-N 3.1Å
27L85.6Confident82.1Confident114 Ų11464.9 Ų64.960%0.59736%0.363SS*.Hα-helixtrans-63.2-49.1174.5-80.1172.7000111.5L23 G24 A25 F29 S30 V31L23-L27 PolarHBondContact O-N 3.3Å; G24-L27 PolarHBondContact O-N 3.09Å; A25-L27 VanDerWaalsContact C-N 3.35Å; L27-F29 VanDerWaalsContact C-N 3.3Å; L27-F29 PolarHBondContact O-N 3.1Å; L27-S30 PolarHBondContact O-N 3.3Å; L27-V31 WeakPolarHBondContact O-CG2 3.24Å; L27-V31 PolarHBondContact O-N 2.97Å
28V87.3Confident82.2Confident71 Ų7165.7 Ų65.743%0.4337%0.373SS..Hα-helixtrans-59-45.4177.6173.60000110.2G24 A25 S30 V31 L32 P52G24-V28 WeakPolarHBondContact O-CG2 3.13Å; G24-V28 PolarHBondContact O-N 3.36Å; A25-V28 PolarHBondContact O-N 2.9Å; V28-S30 PolarHBondContact O-N 3.22Å; V28-V31 PolarHBondContact O-N 2.82Å; V28-L32 HydrophobicContact CG1-CD1 3.72Å; V28-L32 WeakPolarHBondContact O-CD1 3.43Å; V28-L32 PolarHBondContact O-N 2.93Å; V28-P52 HydrophobicContact CB-CB 4.29Å; V28-P52 HydrophobicContact CG1-CB 3.85Å; V28-P52 HydrophobicContact CG1-CG 3.77Å
29F85.4Confident81.8Confident37 Ų3772.6 Ų72.616%0.16240%0.403CS..Hα-helixtrans-59.1-46.2174.7173.2-97.8000113.1A25 L26 L27 V31 L32 V33 V49 F50 L53A25-F29 VanDerWaalsContact O-CB 3.26Å; A25-F29 WeakPolarHBondContact O-CB 3.39Å; A25-F29 PolarHBondContact O-N 3.31Å; L26-F29 PolarHBondContact O-N 3.43Å; L27-F29 VanDerWaalsContact C-N 3.3Å; L27-F29 PolarHBondContact O-N 3.1Å; F29-V31 VanDerWaalsContact C-N 3.25Å; F29-V31 PolarHBondContact O-N 2.95Å; F29-L32 PolarHBondContact O-N 3.42Å; F29-L32 VanDerWaalsContact O-N 3.15Å; F29-V33 HydrophobicContact CD1-CG2 4.09Å; F29-V33 HydrophobicContact CD2-CG2 4.21Å; F29-V33 HydrophobicContact CE1-CG2 3.7Å; F29-V33 HydrophobicContact CE2-CG2 3.82Å; F29-V33 HydrophobicContact CG-CG2 4.33Å; F29-V33 HydrophobicContact CZ-CG2 3.54Å; F29-V33 WeakPolarHBondContact O-CB 3.39Å; F29-V33 VanDerWaalsContact O-CG2 3.3Å; F29-V33 WeakPolarHBondContact O-CG2 3.42Å; F29-V33 PolarHBondContact O-N 3.11Å; F29-V49 HydrophobicContact CD2-CG1 4Å; F29-V49 VanDerWaalsContact CD2-O 3.29Å; F29-V49 WeakPolarHBondContact CD2-O 3.45Å; F29-V49 HydrophobicContact CE2-CG1 3.8Å; F29-F50 HydrophobicContact CD2-CD1 4.44Å; F29-F50 AromaticContact CE2-CD1 3.69Å; F29-F50 HydrophobicContact CE2-CD1 3.69Å; F29-F50 AromaticContact CE2-CD2 3.94Å; F29-F50 HydrophobicContact CE2-CD2 3.94Å; F29-F50 AromaticContact CE2-CE1 3.67Å; F29-F50 HydrophobicContact CE2-CE1 3.67Å; F29-F50 AromaticContact CE2-CE2 3.94Å; F29-F50 HydrophobicContact CE2-CE2 3.94Å; F29-F50 AromaticContact CE2-CG 3.84Å; F29-F50 HydrophobicContact CE2-CG 3.84Å; F29-F50 AromaticContact CE2-CZ 3.8Å; F29-F50 HydrophobicContact CE2-CZ 3.8Å; F29-F50 HydrophobicContact CZ-CD1 4.29Å; F29-F50 AromaticContact CZ-CE1 3.8Å; F29-F50 HydrophobicContact CZ-CE1 3.8Å; F29-F50 HydrophobicContact CZ-CE2 4.23Å; F29-F50 AromaticContact CZ-CZ 3.77Å; F29-F50 HydrophobicContact CZ-CZ 3.77Å; F29-L53 HydrophobicContact CB-CD1 3.2Å; F29-L53 HydrophobicContact CD1-CD1 4.19Å; F29-L53 HydrophobicContact CD2-CD1 3.76Å; F29-L53 HydrophobicContact CD2-CD2 4.35Å; F29-L53 HydrophobicContact CG-CD1 3.46Å; F29-L53 VanDerWaalsContact CG-CD1 3.46Å; F29-L53 HydrophobicContact CG-CD2 4.4Å
30S84.3Confident80.7Confident73 Ų7378.9 Ų78.951%0.5143%0.429SS..Hα-helixtrans-59.5-38.7177.3-172.40000111.8L26 L27 V28 A34L26-S30 WeakPolarHBondContact O-CB 3.13Å; L26-S30 PolarHBondContact O-N 3.1Å; L27-S30 PolarHBondContact O-N 3.3Å; V28-S30 PolarHBondContact O-N 3.22Å; S30-A34 WeakPolarHBondContact O-CB 3.39Å; S30-A34 PolarHBondContact O-N 3.13Å
31V86.1Confident79.6Confident87 Ų8776.6 Ų76.653%0.52742%0.424SS..Hα-helixtrans-66.9-45.4174.8174.10000110.8L27 V28 F29 V33 A34 L35L27-V31 WeakPolarHBondContact O-CG2 3.24Å; L27-V31 PolarHBondContact O-N 2.97Å; V28-V31 PolarHBondContact O-N 2.82Å; F29-V31 VanDerWaalsContact C-N 3.25Å; F29-V31 PolarHBondContact O-N 2.95Å; V31-V33 VanDerWaalsContact C-N 3.33Å; V31-V33 PolarHBondContact O-N 3.45Å; V31-A34 PolarHBondContact O-N 2.89Å; V31-L35 WeakPolarHBondContact O-CB 3.45Å; V31-L35 PolarHBondContact O-N 3.48Å
32L82.9Confident78.4Confident55 Ų5580.1 Ų80.129%0.28845%0.449SS..Hα-helixtrans-63.2-38.1177.7-91.272.9000112.3V28 F29 R36 V49 P52V28-L32 HydrophobicContact CG1-CD1 3.72Å; V28-L32 WeakPolarHBondContact O-CD1 3.43Å; V28-L32 PolarHBondContact O-N 2.93Å; F29-L32 PolarHBondContact O-N 3.42Å; F29-L32 VanDerWaalsContact O-N 3.15Å; L32-R36 WeakPolarHBondContact O-CB 3.23Å; L32-R36 PolarHBondContact O-N 3.31Å; L32-V49 HydrophobicContact CB-CG1 4.08Å; L32-P52 HydrophobicContact CD2-CG 4.09Å
33V81.7Confident77.3Confident52 Ų5281.8 Ų81.832%0.31548%0.476SS..Hα-helixtrans-65.4-45.6174.9170.10000110.7F29 V31 R36 A37 V49F29-V33 HydrophobicContact CD1-CG2 4.09Å; F29-V33 HydrophobicContact CD2-CG2 4.21Å; F29-V33 HydrophobicContact CE1-CG2 3.7Å; F29-V33 HydrophobicContact CE2-CG2 3.82Å; F29-V33 HydrophobicContact CG-CG2 4.33Å; F29-V33 HydrophobicContact CZ-CG2 3.54Å; F29-V33 WeakPolarHBondContact O-CB 3.39Å; F29-V33 VanDerWaalsContact O-CG2 3.3Å; F29-V33 WeakPolarHBondContact O-CG2 3.42Å; F29-V33 PolarHBondContact O-N 3.11Å; V31-V33 VanDerWaalsContact C-N 3.33Å; V31-V33 PolarHBondContact O-N 3.45Å; V33-R36 PolarHBondContact O-N 3.13Å; V33-A37 PolarHBondContact O-N 2.97Å; V33-V49 HydrophobicContact CG2-CG1 3.54Å
34A83.3Confident76.2Confident47 Ų4781.4 Ų81.439%0.38847%0.473SS..Hα-helixtrans-61.6-44.7176.200000111.3S30 V31 R36 A37 D38S30-A34 WeakPolarHBondContact O-CB 3.39Å; S30-A34 PolarHBondContact O-N 3.13Å; V31-A34 PolarHBondContact O-N 2.89Å; A34-R36 VanDerWaalsContact C-N 3.32Å; A34-R36 PolarHBondContact O-N 3.21Å; A34-A37 PolarHBondContact O-N 2.98Å; A34-A37 VanDerWaalsContact O-N 3.13Å; A34-D38 PolarHBondContact O-N 2.88Å
35L80.6Confident75.6Confident99 Ų9982.4 Ų82.452%0.51848%0.475SS..Hα-helixtrans-59-43.8176-131.891.5000111.5V31 A37 D38 F39V31-L35 WeakPolarHBondContact O-CB 3.45Å; V31-L35 PolarHBondContact O-N 3.48Å; L35-A37 VanDerWaalsContact C-N 3.33Å; L35-A37 PolarHBondContact O-N 3.42Å; L35-D38 PolarHBondContact O-N 2.89Å; L35-F39 HydrophobicContact CD1-CE2 4.44Å; L35-F39 HydrophobicContact CG-CD2 3.88Å; L35-F39 HydrophobicContact CG-CE2 4.12Å; L35-F39 WeakPolarHBondContact O-CB 3.39Å; L35-F39 WeakPolarHBondContact O-CD2 3.22Å; L35-F39 PolarHBondContact O-N 2.97Å
36R77.1Confident75Confident33 Ų3384.3 Ų84.313%0.12548%0.48CS..Hα-helixtrans-63-40176.6-176.9-172.6-178.2122.19.3112L32 V33 A34 F40 M44 W46 E109L32-R36 WeakPolarHBondContact O-CB 3.23Å; L32-R36 PolarHBondContact O-N 3.31Å; V33-R36 PolarHBondContact O-N 3.13Å; A34-R36 VanDerWaalsContact C-N 3.32Å; A34-R36 PolarHBondContact O-N 3.21Å; R36-F40 PolarHBondContact O-N 3.03Å; R36-F40 VanDerWaalsContact O-N 3.15Å; R36-M44 PolarHBondContact NH1-O 3.46Å; R36-M44 PolarHBondContact NH2-O 3.22Å; R36-W46 VanDerWaalsContact NE-CZ2 3.29Å; R36-W46 VanDerWaalsContact NH1-CG 3.28Å; R36-W46 VanDerWaalsContact NH1-N 3.17Å; R36-W46 VanDerWaalsContact NH2-CD1 3.27Å; R36-E109 IonicContact NH2-OE2 3.91Å
37A75.6Confident74.5Confident65 Ų6585.8 Ų85.854%0.53748%0.479SS..Hα-helixtrans-66.1-39.6-179.600000112.1V33 A34 L35V33-A37 PolarHBondContact O-N 2.97Å; A34-A37 PolarHBondContact O-N 2.98Å; A34-A37 VanDerWaalsContact O-N 3.13Å; L35-A37 VanDerWaalsContact C-N 3.33Å; L35-A37 PolarHBondContact O-N 3.42Å
38D76.8Confident74Confident135 Ų13584.2 Ų84.272%0.72247%0.47SS*.Hα-helixtrans-84.2-36.8-177.3-72.2-34.2000113.6A34 L35A34-D38 PolarHBondContact O-N 2.88Å; L35-D38 PolarHBondContact O-N 2.89Å
39F66.3Low73.7Confident150 Ų15080.9 Ų80.966%0.65845%0.45SS*.Hα-helixtrans-95-6.7-175.5-70.3-84.9000114.4L35 D41L35-F39 HydrophobicContact CD1-CE2 4.44Å; L35-F39 HydrophobicContact CG-CD2 3.88Å; L35-F39 HydrophobicContact CG-CE2 4.12Å; L35-F39 WeakPolarHBondContact O-CB 3.39Å; L35-F39 WeakPolarHBondContact O-CD2 3.22Å; L35-F39 PolarHBondContact O-N 2.97Å; F39-D41 PolarHBondContact O-N 3.07Å
40F56Low73.5Confident172 Ų17279.5 Ų79.575%0.75444%0.444SS*.  trans34.849.2172.4-135-87.8000114.2R36 P42R36-F40 PolarHBondContact O-N 3.03Å; R36-F40 VanDerWaalsContact O-N 3.15Å; F40-P42 WeakPolarHBondContact O-CD 3.13Å
41D57.7Low73.5Confident108 Ų10880.3 Ų80.358%0.57844%0.442SS*.  trans-79.3109178.5-119.7-47.7000108.7F39 G43 M44F39-D41 PolarHBondContact O-N 3.07Å; D41-G43 PolarHBondContact O-N 3.2Å; D41-M44 HydrophobicContact CB-CB 4.47Å; D41-M44 PolarHBondContact O-N 3.25Å; D41-M44 VanDerWaalsContact O-N 3.15Å
42P59Low73.4Confident111 Ų11177.4 Ų77.472%0.72143%0.425SS*.THydrogen-bonded Turntrans-69-6.3-175.429.1-34.7000113.2F40F40-P42 WeakPolarHBondContact O-CD 3.13Å
43G58.9Low73.4Confident71 Ų7175.6 Ų75.673%0.73242%0.415SS*.THydrogen-bonded Turntrans-89.7-10.8174.900000114.8D41 S45D41-G43 PolarHBondContact O-N 3.2Å; G43-S45 PolarHBondContact O-N 3.48Å
44M61.5Low73.4Confident88 Ų8875.5 Ų75.543%0.43341%0.411SS..  trans-82.999-173-150.779.9155.900110.2R36 D41 W46 L48R36-M44 PolarHBondContact NH1-O 3.46Å; R36-M44 PolarHBondContact NH2-O 3.22Å; D41-M44 HydrophobicContact CB-CB 4.47Å; D41-M44 PolarHBondContact O-N 3.25Å; D41-M44 VanDerWaalsContact O-N 3.15Å; M44-W46 PolarHBondContact O-N 2.89Å; M44-L48 HydrophobicContact SD-CD1 4.25Å
45S72.6Confident73.5Confident52 Ų5276.1 Ų76.136%0.36442%0.415SS..  trans-58.9138.3178.667.80000111.3G43 W47 L48G43-S45 PolarHBondContact O-N 3.48Å; S45-W47 PolarHBondContact O-N 3.01Å; S45-W47 VanDerWaalsContact O-N 3.09Å; S45-L48 PolarHBondContact O-N 3.46Å
46W71.9Confident73.7Confident51 Ų5171.7 Ų71.719%0.19339%0.393CS..Hα-helixtrans-55.1-28.4175.6-72.3100.7000112R36 M44 L48 V49 F50 L105 E109R36-W46 VanDerWaalsContact NE-CZ2 3.29Å; R36-W46 VanDerWaalsContact NH1-CG 3.28Å; R36-W46 VanDerWaalsContact NH1-N 3.17Å; R36-W46 VanDerWaalsContact NH2-CD1 3.27Å; M44-W46 PolarHBondContact O-N 2.89Å; W46-L48 VanDerWaalsContact C-N 3.33Å; W46-L48 PolarHBondContact O-N 2.98Å; W46-V49 PolarHBondContact O-N 3.2Å; W46-F50 WeakPolarHBondContact O-CD2 3.43Å; W46-F50 PolarHBondContact O-N 3.28Å; W46-L105 HydrophobicContact CB-CB 4.33Å; W46-L105 HydrophobicContact CD2-CB 3.61Å; W46-L105 HydrophobicContact CD2-CD2 4.27Å; W46-L105 HydrophobicContact CD2-CG 4.42Å; W46-L105 HydrophobicContact CE3-CB 3.88Å; W46-L105 HydrophobicContact CE3-CD1 4.23Å; W46-L105 HydrophobicContact CE3-CD2 3.98Å; W46-L105 HydrophobicContact CE3-CG 4.25Å; W46-L105 HydrophobicContact CG-CB 3.83Å; W46-L105 HydrophobicContact CH2-CD2 3.67Å; W46-L105 HydrophobicContact CZ2-CD2 3.95Å; W46-L105 HydrophobicContact CZ3-CB 4.46Å; W46-L105 HydrophobicContact CZ3-CD1 4.43Å; W46-L105 HydrophobicContact CZ3-CD2 3.68Å; W46-L105 HydrophobicContact CZ3-CG 4.42Å; W46-L105 PolarHBondContact NE1-O 3.36Å; W46-L105 VanDerWaalsContact NE1-O 3.14Å; W46-E109 PolarHBondContact NE1-OE2 3.28Å
47W73.8Confident74Confident131 Ų13170.1 Ų70.150%0.49639%0.388SS..Hα-helixtrans-53.4-43.2171.9-6995.9000114S45 V49 F50 I51S45-W47 PolarHBondContact O-N 3.01Å; S45-W47 VanDerWaalsContact O-N 3.09Å; W47-V49 VanDerWaalsContact C-N 3.31Å; W47-V49 PolarHBondContact O-N 2.93Å; W47-F50 PolarHBondContact O-N 3.48Å; W47-I51 WeakPolarHBondContact O-CG1 3.41Å; W47-I51 PolarHBondContact O-N 2.96Å
48L75.9Confident74.3Confident80 Ų8069 Ų6942%0.41938%0.382SS..Hα-helixtrans-64-36.8179.6-77.9160.8000112.4M44 S45 W46 F50 I51M44-L48 HydrophobicContact SD-CD1 4.25Å; S45-L48 PolarHBondContact O-N 3.46Å; W46-L48 VanDerWaalsContact C-N 3.33Å; W46-L48 PolarHBondContact O-N 2.98Å; L48-F50 VanDerWaalsContact C-N 3.28Å; L48-F50 PolarHBondContact O-N 3.36Å; L48-I51 HydrophobicContact CD2-CD1 3.74Å; L48-I51 HydrophobicContact CG-CD1 4.47Å; L48-I51 PolarHBondContact O-N 3.33Å
49V80.6Confident74.7Confident2 Ų267.1 Ų67.11%0.01237%0.371CS..Hα-helixtrans-66.4-33.9-179.5179.50000111.1F29 L32 V33 W46 W47 P52F29-V49 HydrophobicContact CD2-CG1 4Å; F29-V49 VanDerWaalsContact CD2-O 3.29Å; F29-V49 WeakPolarHBondContact CD2-O 3.45Å; F29-V49 HydrophobicContact CE2-CG1 3.8Å; L32-V49 HydrophobicContact CB-CG1 4.08Å; V33-V49 HydrophobicContact CG2-CG1 3.54Å; W46-V49 PolarHBondContact O-N 3.2Å; W47-V49 VanDerWaalsContact C-N 3.31Å; W47-V49 PolarHBondContact O-N 2.93Å; V49-P52 VanDerWaalsContact O-CD 3.25Å; V49-P52 WeakPolarHBondContact O-CD 3.44Å
50F81.2Confident75.4Confident7 Ų760 Ų603%0.03134%0.34CS..Hα-helixtrans-87.8-8.3-179.1-79.9-94.9000114.8F29 W46 W47 L48 P52 L53 F54 L101 C102 L105F29-F50 HydrophobicContact CD2-CD1 4.44Å; F29-F50 AromaticContact CE2-CD1 3.69Å; F29-F50 HydrophobicContact CE2-CD1 3.69Å; F29-F50 AromaticContact CE2-CD2 3.94Å; F29-F50 HydrophobicContact CE2-CD2 3.94Å; F29-F50 AromaticContact CE2-CE1 3.67Å; F29-F50 HydrophobicContact CE2-CE1 3.67Å; F29-F50 AromaticContact CE2-CE2 3.94Å; F29-F50 HydrophobicContact CE2-CE2 3.94Å; F29-F50 AromaticContact CE2-CG 3.84Å; F29-F50 HydrophobicContact CE2-CG 3.84Å; F29-F50 AromaticContact CE2-CZ 3.8Å; F29-F50 HydrophobicContact CE2-CZ 3.8Å; F29-F50 HydrophobicContact CZ-CD1 4.29Å; F29-F50 AromaticContact CZ-CE1 3.8Å; F29-F50 HydrophobicContact CZ-CE1 3.8Å; F29-F50 HydrophobicContact CZ-CE2 4.23Å; F29-F50 AromaticContact CZ-CZ 3.77Å; F29-F50 HydrophobicContact CZ-CZ 3.77Å; W46-F50 WeakPolarHBondContact O-CD2 3.43Å; W46-F50 PolarHBondContact O-N 3.28Å; W47-F50 PolarHBondContact O-N 3.48Å; L48-F50 VanDerWaalsContact C-N 3.28Å; L48-F50 PolarHBondContact O-N 3.36Å; F50-P52 VanDerWaalsContact C-N 3.34Å; F50-L53 HydrophobicContact CD1-CD2 4.26Å; F50-L53 WeakPolarHBondContact O-CB 3.28Å; F50-L53 PolarHBondContact O-N 2.96Å; F50-L53 VanDerWaalsContact O-N 3.07Å; F50-F54 HydrophobicContact CB-CD2 4.04Å; F50-F54 HydrophobicContact CB-CE2 3.67Å; F50-F54 VanDerWaalsContact O-CD2 3.25Å; F50-F54 WeakPolarHBondContact O-CD2 3.35Å; F50-F54 PolarHBondContact O-N 3.1Å; F50-F54 VanDerWaalsContact O-N 3.12Å; F50-L101 HydrophobicContact CE1-CB 4.27Å; F50-L101 HydrophobicContact CZ-CB 4.13Å; F50-C102 WeakPolarHBondContact CB-SG 3.42Å; F50-C102 WeakPolarHBondContact CD1-SG 3.45Å; F50-C102 HydrophobicContact CD2-CB 4.48Å; F50-C102 WeakPolarHBondContact CD2-SG 3.29Å; F50-C102 WeakPolarHBondContact CG-SG 3.37Å; F50-L105 HydrophobicContact CE2-CD1 3.6Å; F50-L105 HydrophobicContact CZ-CD1 3.62Å
51I83.3Confident76.7Confident91 Ų9154 Ų5447%0.46732%0.318SS..Hα-helixtrans-50.3-44.9176.7-67.4175.3000113.3W47 L48 L53 F54 A55W47-I51 WeakPolarHBondContact O-CG1 3.41Å; W47-I51 PolarHBondContact O-N 2.96Å; L48-I51 HydrophobicContact CD2-CD1 3.74Å; L48-I51 HydrophobicContact CG-CD1 4.47Å; L48-I51 PolarHBondContact O-N 3.33Å; I51-L53 VanDerWaalsContact C-N 3.28Å; I51-L53 PolarHBondContact O-N 3.33Å; I51-F54 PolarHBondContact O-N 3.48Å; I51-A55 WeakPolarHBondContact O-CB 3.47Å; I51-A55 PolarHBondContact O-N 3.4Å
52P84.8Confident78Confident26 Ų2656.4 Ų56.417%0.16932%0.32CS..Hα-helixtrans-60.3-37.4-180-21.533.2000112.8V28 L32 V49 F50 A56V28-P52 HydrophobicContact CB-CB 4.29Å; V28-P52 HydrophobicContact CG1-CB 3.85Å; V28-P52 HydrophobicContact CG1-CG 3.77Å; L32-P52 HydrophobicContact CD2-CG 4.09Å; V49-P52 VanDerWaalsContact O-CD 3.25Å; V49-P52 WeakPolarHBondContact O-CD 3.44Å; F50-P52 VanDerWaalsContact C-N 3.34Å; P52-A56 WeakPolarHBondContact O-CB 3Å; P52-A56 PolarHBondContact O-N 2.85Å; P52-A56 VanDerWaalsContact O-N 3.1Å
53L81.9Confident79Confident16 Ų1654.9 Ų54.98%0.08430%0.302CS..Hα-helixtrans-67.1-46.9176.7-101.266.6000111F29 F50 I51 A55 A56 D57 E98F29-L53 HydrophobicContact CB-CD1 3.2Å; F29-L53 HydrophobicContact CD1-CD1 4.19Å; F29-L53 HydrophobicContact CD2-CD1 3.76Å; F29-L53 HydrophobicContact CD2-CD2 4.35Å; F29-L53 HydrophobicContact CG-CD1 3.46Å; F29-L53 VanDerWaalsContact CG-CD1 3.46Å; F29-L53 HydrophobicContact CG-CD2 4.4Å; F50-L53 HydrophobicContact CD1-CD2 4.26Å; F50-L53 WeakPolarHBondContact O-CB 3.28Å; F50-L53 PolarHBondContact O-N 2.96Å; F50-L53 VanDerWaalsContact O-N 3.07Å; I51-L53 VanDerWaalsContact C-N 3.28Å; I51-L53 PolarHBondContact O-N 3.33Å; L53-A55 PolarHBondContact O-N 2.92Å; L53-A56 PolarHBondContact O-N 3.47Å; L53-D57 PolarHBondContact O-N 3.3Å; L53-E98 HydrophobicContact CD2-CG 4.05Å; L53-E98 WeakPolarHBondContact CD2-OE1 3.24Å
54F82Confident79.9Confident51 Ų5152.2 Ų52.222%0.22427%0.272CS..Hα-helixtrans-63-41.3177.5-71.1-54.8000112.7F50 I51 A56 D57 G58 L95 E98 V99F50-F54 HydrophobicContact CB-CD2 4.04Å; F50-F54 HydrophobicContact CB-CE2 3.67Å; F50-F54 VanDerWaalsContact O-CD2 3.25Å; F50-F54 WeakPolarHBondContact O-CD2 3.35Å; F50-F54 PolarHBondContact O-N 3.1Å; F50-F54 VanDerWaalsContact O-N 3.12Å; I51-F54 PolarHBondContact O-N 3.48Å; F54-A56 VanDerWaalsContact C-N 3.33Å; F54-A56 PolarHBondContact O-N 3.2Å; F54-D57 PolarHBondContact O-N 3.34Å; F54-G58 PolarHBondContact O-N 3.08Å; F54-L95 HydrophobicContact CD1-CD2 3.71Å; F54-L95 HydrophobicContact CE1-CD2 4.08Å; F54-E98 HydrophobicContact CE1-CB 4.15Å; F54-E98 HydrophobicContact CZ-CB 4.39Å; F54-V99 HydrophobicContact CE1-CG2 3.64Å; F54-V99 HydrophobicContact CZ-CG2 3.75Å
55A85.9Confident80.8Confident59 Ų5949.9 Ų49.949%0.48827%0.266SS..Hα-helixtrans-62.4-42.1177.200000111.3I51 L53 G58 L59I51-A55 WeakPolarHBondContact O-CB 3.47Å; I51-A55 PolarHBondContact O-N 3.4Å; L53-A55 PolarHBondContact O-N 2.92Å; A55-G58 PolarHBondContact O-N 2.88Å; A55-L59 WeakPolarHBondContact O-CB 3.3Å; A55-L59 PolarHBondContact O-N 2.88Å
56A84.8Confident81.3Confident7 Ų750.7 Ų50.76%0.05827%0.266CS..Hα-helixtrans-65.9-41.517700000112.8L21 A25 P52 L53 F54 L59 S60L21-A56 HydrophobicContact CD2-CB 3.71Å; L21-A56 WeakPolarHBondContact CD2-O 3.22Å; A25-A56 HydrophobicContact CB-CB 3.34Å; P52-A56 WeakPolarHBondContact O-CB 3Å; P52-A56 PolarHBondContact O-N 2.85Å; P52-A56 VanDerWaalsContact O-N 3.1Å; L53-A56 PolarHBondContact O-N 3.47Å; F54-A56 VanDerWaalsContact C-N 3.33Å; F54-A56 PolarHBondContact O-N 3.2Å; A56-L59 PolarHBondContact O-N 3.34Å; A56-S60 WeakPolarHBondContact O-CB 3.25Å; A56-S60 PolarHBondContact O-N 3.11Å; A56-S60 PolarHBondContact O-OG 2.86Å
57D82.6Confident81.4Confident0 Ų051.3 Ų51.30%028%0.275CS..Hα-helixtrans-66.5-39.9178-150.9-86.2000112L53 F54 S60 T61 L91 K94 L95L53-D57 PolarHBondContact O-N 3.3Å; F54-D57 PolarHBondContact O-N 3.34Å; D57-S60 PolarHBondContact O-N 3.2Å; D57-T61 PolarHBondContact O-N 3.34Å; D57-T61 PolarHBondContact O-OG1 2.8Å; D57-L91 WeakPolarHBondContact O-CD2 3.48Å; D57-L91 VanDerWaalsContact OD1-CD2 3.25Å; D57-L91 WeakPolarHBondContact OD1-CD2 3.47Å; D57-K94 IonicContact OD2-NZ 2.82Å; D57-K94 PolarHBondContact OD2-NZ 2.84Å; D57-L95 HydrophobicContact CB-CD2 3.74Å; D57-L95 HydrophobicContact CB-CG 4.21Å; D57-L95 WeakPolarHBondContact OD1-CD1 3.48Å; D57-L95 WeakPolarHBondContact OD1-CD2 3.41Å; D57-L95 WeakPolarHBondContact OD1-CG 3.38Å
58G82.1Confident81.2Confident40 Ų4046.3 Ų46.341%0.41226%0.26SS..Hα-helixtrans-61.6-43.7171.700000113.1F54 A55 T61 Y62F54-G58 PolarHBondContact O-N 3.08Å; A55-G58 PolarHBondContact O-N 2.88Å; G58-T61 PolarHBondContact O-N 3.3Å; G58-Y62 WeakPolarHBondContact O-CB 3.35Å; G58-Y62 PolarHBondContact O-N 3.33Å
59L85.1Confident81.3Confident97 Ų9747.4 Ų47.451%0.50827%0.266SS..Hα-helixtrans-65.4-41.5177.4-131.783.2000111.9L21 A55 A56 Y62 F63L21-L59 HydrophobicContact CD1-CD2 3.56Å; L21-L59 HydrophobicContact CD2-CB 3.8Å; L21-L59 HydrophobicContact CD2-CD2 4.18Å; A55-L59 WeakPolarHBondContact O-CB 3.3Å; A55-L59 PolarHBondContact O-N 2.88Å; A56-L59 PolarHBondContact O-N 3.34Å; L59-Y62 PolarHBondContact O-N 3.39Å; L59-F63 PolarHBondContact O-N 3Å
60S81.7Confident81.2Confident1 Ų155.9 Ų55.91%0.00730%0.297CS..Hα-helixtrans-64.5-41175.3-690000111.4Q22 A56 D57 Y62 F63 T64Q22-S60 PolarHBondContact OE1-OG 3.44Å; A56-S60 WeakPolarHBondContact O-CB 3.25Å; A56-S60 PolarHBondContact O-N 3.11Å; A56-S60 PolarHBondContact O-OG 2.86Å; D57-S60 PolarHBondContact O-N 3.2Å; S60-Y62 VanDerWaalsContact C-N 3.34Å; S60-Y62 PolarHBondContact O-N 3.41Å; S60-F63 PolarHBondContact O-N 3Å; S60-T64 WeakPolarHBondContact O-CB 3.42Å; S60-T64 PolarHBondContact O-N 3.27Å; S60-T64 PolarHBondContact O-OG1 2.99Å
61T83.3Confident80.6Confident46 Ų4658.2 Ų58.228%0.28231%0.31SS..Hα-helixtrans-59.2-46.3173.3-560000111.2D57 G58 T64 A65 L88 L91D57-T61 PolarHBondContact O-N 3.34Å; D57-T61 PolarHBondContact O-OG1 2.8Å; G58-T61 PolarHBondContact O-N 3.3Å; T61-T64 PolarHBondContact O-N 3.48Å; T61-A65 VanDerWaalsContact O-CB 3.29Å; T61-A65 WeakPolarHBondContact O-CB 3.45Å; T61-A65 PolarHBondContact O-N 2.92Å; T61-L88 HydrophobicContact CG2-CD1 4.32Å; T61-L91 WeakPolarHBondContact OG1-CD2 3.44Å
62Y84.4Confident79.9Confident158 Ų15860 Ų6062%0.6231%0.311SS*.Hα-helixtrans-62.2-44.7-179.9-178-101.3000111.9G58 L59 S60 A65 I66G58-Y62 WeakPolarHBondContact O-CB 3.35Å; G58-Y62 PolarHBondContact O-N 3.33Å; L59-Y62 PolarHBondContact O-N 3.39Å; S60-Y62 VanDerWaalsContact C-N 3.34Å; S60-Y62 PolarHBondContact O-N 3.41Å; Y62-A65 PolarHBondContact O-N 2.81Å; Y62-I66 HydrophobicContact CD1-CD1 3.79Å; Y62-I66 HydrophobicContact CE1-CD1 3.26Å; Y62-I66 HydrophobicContact CE1-CG1 4.38Å; Y62-I66 HydrophobicContact CE2-CD1 4.38Å; Y62-I66 WeakPolarHBondContact O-CG1 3.11Å; Y62-I66 PolarHBondContact O-N 2.92Å; Y62-I66 VanDerWaalsContact O-N 3.08Å
63F81.5Confident79.3Confident78 Ų7865.9 Ų65.934%0.34234%0.337SS..Hα-helixtrans-63.2-49.4177.5-174.3-95.6000111.8A15 E18 L59 S60 A65 I66 V67A15-F63 HydrophobicContact CB-CE1 3.9Å; E18-F63 HydrophobicContact CG-CD1 4Å; E18-F63 WeakPolarHBondContact OE1-CD1 3.41Å; L59-F63 PolarHBondContact O-N 3Å; S60-F63 PolarHBondContact O-N 3Å; F63-A65 PolarHBondContact O-N 2.92Å; F63-I66 PolarHBondContact O-N 3.49Å; F63-I66 VanDerWaalsContact O-N 3.1Å; F63-V67 HydrophobicContact CD1-CG2 4.11Å; F63-V67 HydrophobicContact CE1-CG2 3.71Å; F63-V67 HydrophobicContact CZ-CG2 3.99Å; F63-V67 WeakPolarHBondContact O-CG2 3.38Å; F63-V67 PolarHBondContact O-N 2.86Å; F63-V67 VanDerWaalsContact O-N 3.09Å
64T77Confident78.8Confident16 Ų1672 Ų7210%0.09837%0.365CS..Hα-helixtrans-56.6-40175.5-77.20000111.4E18 S60 T61 I66 V67 S68 L84 V87E18-T64 PolarHBondContact OE1-OG1 3.48Å; S60-T64 WeakPolarHBondContact O-CB 3.42Å; S60-T64 PolarHBondContact O-N 3.27Å; S60-T64 PolarHBondContact O-OG1 2.99Å; T61-T64 PolarHBondContact O-N 3.48Å; T64-I66 PolarHBondContact O-N 3.2Å; T64-V67 PolarHBondContact O-N 3.07Å; T64-S68 WeakPolarHBondContact O-CB 3.48Å; T64-S68 PolarHBondContact O-N 2.85Å; T64-L84 HydrophobicContact CG2-CD2 3.65Å; T64-V87 HydrophobicContact CG2-CB 4.17Å; T64-V87 HydrophobicContact CG2-CG1 3.81Å
65A81Confident77.7Confident39 Ų3976 Ų7632%0.32239%0.389SS..Hα-helixtrans-67-31.5177.400000113.9T61 Y62 F63 S68 I69T61-A65 VanDerWaalsContact O-CB 3.29Å; T61-A65 WeakPolarHBondContact O-CB 3.45Å; T61-A65 PolarHBondContact O-N 2.92Å; Y62-A65 PolarHBondContact O-N 2.81Å; F63-A65 PolarHBondContact O-N 2.92Å; A65-S68 WeakPolarHBondContact O-CB 3.41Å; A65-S68 PolarHBondContact O-OG 3.4Å; A65-I69 WeakPolarHBondContact O-CD1 3.26Å; A65-I69 VanDerWaalsContact O-CG1 3.27Å; A65-I69 WeakPolarHBondContact O-CG1 3.22Å; A65-I69 PolarHBondContact O-N 3.18Å
66I82.4Confident76.6Confident69 Ų6979.3 Ų79.335%0.35439%0.394SS..Hα-helixtrans-72.7-46.6174.5-70.5170000111.4Y62 F63 T64 S68 I69 R70Y62-I66 HydrophobicContact CD1-CD1 3.79Å; Y62-I66 HydrophobicContact CE1-CD1 3.26Å; Y62-I66 HydrophobicContact CE1-CG1 4.38Å; Y62-I66 HydrophobicContact CE2-CD1 4.38Å; Y62-I66 WeakPolarHBondContact O-CG1 3.11Å; Y62-I66 PolarHBondContact O-N 2.92Å; Y62-I66 VanDerWaalsContact O-N 3.08Å; F63-I66 PolarHBondContact O-N 3.49Å; F63-I66 VanDerWaalsContact O-N 3.1Å; T64-I66 PolarHBondContact O-N 3.2Å; I66-S68 VanDerWaalsContact C-N 3.29Å; I66-S68 PolarHBondContact O-N 3.43Å; I66-I69 PolarHBondContact O-N 3.4Å; I66-R70 PolarHBondContact O-N 3.33Å; I66-R70 VanDerWaalsContact O-N 3.11Å
67V74.9Confident75.5Confident63 Ų6382.9 Ų82.938%0.38241%0.408SS..Hα-helixtrans-61-43.9-178.9173.40000110.6F63 T64 I69 R70 L71F63-V67 HydrophobicContact CD1-CG2 4.11Å; F63-V67 HydrophobicContact CE1-CG2 3.71Å; F63-V67 HydrophobicContact CZ-CG2 3.99Å; F63-V67 WeakPolarHBondContact O-CG2 3.38Å; F63-V67 PolarHBondContact O-N 2.86Å; F63-V67 VanDerWaalsContact O-N 3.09Å; T64-V67 PolarHBondContact O-N 3.07Å; V67-I69 PolarHBondContact O-N 3.12Å; V67-R70 PolarHBondContact O-N 2.65Å; V67-L71 HydrophobicContact CG1-CD1 4.29Å; V67-L71 PolarHBondContact O-N 2.82Å
68S69Low74.5Confident27 Ų2793.8 Ų93.819%0.18945%0.449CS..Hα-helixtrans-37.5-57.4162139.30000115.4T64 A65 I66 R70 L71 Y72 L84T64-S68 WeakPolarHBondContact O-CB 3.48Å; T64-S68 PolarHBondContact O-N 2.85Å; A65-S68 WeakPolarHBondContact O-CB 3.41Å; A65-S68 PolarHBondContact O-OG 3.4Å; I66-S68 VanDerWaalsContact C-N 3.29Å; I66-S68 PolarHBondContact O-N 3.43Å; S68-R70 VanDerWaalsContact C-N 3.34Å; S68-R70 PolarHBondContact O-N 3.44Å; S68-L71 PolarHBondContact O-N 3.13Å; S68-Y72 PolarHBondContact O-N 3.26Å; S68-Y72 VanDerWaalsContact O-N 3.09Å; S68-L84 VanDerWaalsContact CB-CG 3.46Å; S68-L84 WeakPolarHBondContact OG-CD1 3.49Å
69I78.3Confident73.7Confident103 Ų10398.2 Ų98.253%0.52846%0.463SS..Hα-helixtrans-68.8-37.9-175.3-69.3162.7000109.9A65 I66 V67 Y72 Q73A65-I69 WeakPolarHBondContact O-CD1 3.26Å; A65-I69 VanDerWaalsContact O-CG1 3.27Å; A65-I69 WeakPolarHBondContact O-CG1 3.22Å; A65-I69 PolarHBondContact O-N 3.18Å; I66-I69 PolarHBondContact O-N 3.4Å; V67-I69 PolarHBondContact O-N 3.12Å; I69-Y72 WeakPolarHBondContact O-CB 3.26Å; I69-Y72 PolarHBondContact O-N 3.48Å; I69-Q73 PolarHBondContact O-N 2.82Å
70R77.7Confident72.6Confident180 Ų18094 Ų9468%0.67944%0.442SS*.Hα-helixtrans-64.5-47.4175.5-76.6-156.8178.4-153.12.2112.5I66 V67 S68 Y72 Q73 E74I66-R70 PolarHBondContact O-N 3.33Å; I66-R70 VanDerWaalsContact O-N 3.11Å; V67-R70 PolarHBondContact O-N 2.65Å; S68-R70 VanDerWaalsContact C-N 3.34Å; S68-R70 PolarHBondContact O-N 3.44Å; R70-Y72 PolarHBondContact O-N 3.31Å; R70-Q73 WeakPolarHBondContact O-CB 3.33Å; R70-Q73 PolarHBondContact O-N 3.34Å; R70-E74 PolarHBondContact O-N 3.11Å
71L68.4Low71.9Confident56 Ų5697 Ų9729%0.29346%0.46SS..Hα-helixtrans-62.9-30.8177.8-106.272.6000112.5V67 S68 Q73 E74 A80V67-L71 HydrophobicContact CG1-CD1 4.29Å; V67-L71 PolarHBondContact O-N 2.82Å; S68-L71 PolarHBondContact O-N 3.13Å; L71-Q73 PolarHBondContact O-N 2.89Å; L71-E74 PolarHBondContact O-N 3.29Å; L71-A80 HydrophobicContact CB-CB 3.68Å; L71-A80 HydrophobicContact CD2-CB 3.57Å; L71-A80 HydrophobicContact CG-CB 4.18Å
72Y68.3Low71.2Confident127 Ų127100.4 Ų100.450%0.49848%0.476SS..Hα-helixtrans-63.6-31175.3-173.2-93.8000112.7S68 I69 R70 K77S68-Y72 PolarHBondContact O-N 3.26Å; S68-Y72 VanDerWaalsContact O-N 3.09Å; I69-Y72 WeakPolarHBondContact O-CB 3.26Å; I69-Y72 PolarHBondContact O-N 3.48Å; R70-Y72 PolarHBondContact O-N 3.31Å; Y72-K77 HydrophobicContact CD2-CB 4.48Å; Y72-K77 HydrophobicContact CD2-CD 4.05Å; Y72-K77 HydrophobicContact CD2-CG 4Å; Y72-K77 HydrophobicContact CE2-CD 3.59Å; Y72-K77 HydrophobicContact CE2-CG 4.04Å; Y72-K77 WeakPolarHBondContact O-CE 3.4Å; Y72-K77 PolarHBondContact OH-NZ 2.9Å; Y72-K77 VanDerWaalsContact OH-NZ 3.16Å
73Q72.4Confident70.4Confident150 Ų15098.8 Ų98.870%0.70147%0.469SS*.Hα-helixtrans-75.5-24.6177.7-66.6177.9-6.500112.7I69 R70 L71 N75I69-Q73 PolarHBondContact O-N 2.82Å; R70-Q73 WeakPolarHBondContact O-CB 3.33Å; R70-Q73 PolarHBondContact O-N 3.34Å; L71-Q73 PolarHBondContact O-N 2.89Å; Q73-N75 VanDerWaalsContact C-N 3.34Å; Q73-N75 PolarHBondContact O-N 2.87Å
74E71.6Confident69.8Low146 Ų14696.9 Ų96.968%0.68246%0.462SS*.THydrogen-bonded Turntrans-88.815.3-177.5-71.5177.8161.200114.5R70 L71 E76R70-E74 PolarHBondContact O-N 3.11Å; L71-E74 PolarHBondContact O-N 3.29Å; E74-E76 VanDerWaalsContact C-N 3.28Å; E74-E76 PolarHBondContact O-N 3.02Å; E74-E76 VanDerWaalsContact O-N 3.17Å
75N59.8Low69.6Low134 Ų134100.9 Ų100.972%0.71748%0.482SS*.THydrogen-bonded Turntrans68.8-3.5174.5-102.2-44.5000118.3Q73 K77Q73-N75 VanDerWaalsContact C-N 3.34Å; Q73-N75 PolarHBondContact O-N 2.87Å; N75-K77 VanDerWaalsContact C-N 3.25Å; N75-K77 PolarHBondContact O-N 3.37Å; N75-K77 VanDerWaalsContact O-N 3.08Å
76E62.8Low69.2Low129 Ų129101.4 Ų101.460%0.60348%0.476SS*.  trans-85.550.2173.6-79.8-73.415600112.9E74 R78 A80E74-E76 VanDerWaalsContact C-N 3.28Å; E74-E76 PolarHBondContact O-N 3.02Å; E74-E76 VanDerWaalsContact O-N 3.17Å; E76-R78 PolarHBondContact O-N 2.9Å; E76-A80 WeakPolarHBondContact O-CB 3.32Å; E76-A80 PolarHBondContact O-N 3.1Å
77K60.6Low68.6Low81 Ų8198.3 Ų98.335%0.35246%0.46SS..Hα-helixtrans-63.7-37.6-162.9-63.4-174.5175.2-173.40115.2Y72 N75 V81Y72-K77 HydrophobicContact CD2-CB 4.48Å; Y72-K77 HydrophobicContact CD2-CD 4.05Å; Y72-K77 HydrophobicContact CD2-CG 4Å; Y72-K77 HydrophobicContact CE2-CD 3.59Å; Y72-K77 HydrophobicContact CE2-CG 4.04Å; Y72-K77 WeakPolarHBondContact O-CE 3.4Å; Y72-K77 PolarHBondContact OH-NZ 2.9Å; Y72-K77 VanDerWaalsContact OH-NZ 3.16Å; N75-K77 VanDerWaalsContact C-N 3.25Å; N75-K77 PolarHBondContact O-N 3.37Å; N75-K77 VanDerWaalsContact O-N 3.08Å; K77-V81 WeakPolarHBondContact O-CB 3.25Å; K77-V81 WeakPolarHBondContact O-CG2 3.25Å; K77-V81 PolarHBondContact O-N 2.86Å
78R63.1Low68.6Low230 Ų23099.1 Ų99.187%0.86846%0.462SS*.Hα-helixtrans-74.1-44.3-172.8-79.6-175.5170.8-178.5-2112.7E76 L82E76-R78 PolarHBondContact O-N 2.9Å; R78-L82 WeakPolarHBondContact O-CB 3.47Å; R78-L82 PolarHBondContact O-N 3.38Å; R78-L82 VanDerWaalsContact O-N 3.13Å
79L63.8Low68.8Low132 Ų132101 Ų10169%0.69147%0.472SS*.Hα-helixtrans-74-37-175.5-140.2145.7000110.7R83L79-R83 WeakPolarHBondContact O-CB 3.46Å; L79-R83 PolarHBondContact O-N 3.33Å; L79-R83 VanDerWaalsContact O-N 3.1Å
80A63Low68.6Low9 Ų996.7 Ų96.77%0.07445%0.451CS..Hα-helixtrans-58.6-53.417200000112.6L71 E76 L82 R83 L84L71-A80 HydrophobicContact CB-CB 3.68Å; L71-A80 HydrophobicContact CD2-CB 3.57Å; L71-A80 HydrophobicContact CG-CB 4.18Å; E76-A80 WeakPolarHBondContact O-CB 3.32Å; E76-A80 PolarHBondContact O-N 3.1Å; A80-L82 VanDerWaalsContact C-N 3.33Å; A80-L82 PolarHBondContact O-N 3.23Å; A80-R83 PolarHBondContact O-N 2.99Å; A80-L84 WeakPolarHBondContact O-CB 3.01Å; A80-L84 PolarHBondContact O-N 3.41Å
81V66.8Low68.4Low63 Ų6388.3 Ų88.338%0.38242%0.419SS..Hα-helixtrans-64.3-38.3-177.6170.30000111.4K77 L84 L85K77-V81 WeakPolarHBondContact O-CB 3.25Å; K77-V81 WeakPolarHBondContact O-CG2 3.25Å; K77-V81 PolarHBondContact O-N 2.86Å; V81-L84 VanDerWaalsContact O-CB 3.28Å; V81-L84 WeakPolarHBondContact O-CB 3.29Å; V81-L84 PolarHBondContact O-N 3.15Å; V81-L85 HydrophobicContact CG1-CD1 3.83Å; V81-L85 HydrophobicContact CG1-CG 4.29Å; V81-L85 WeakPolarHBondContact O-CB 3.22Å; V81-L85 WeakPolarHBondContact O-CG 3.36Å; V81-L85 PolarHBondContact O-N 3.29Å
82L68.1Low68.7Low119 Ų11988.3 Ų88.362%0.62342%0.424SS*.Hα-helixtrans-68.6-38.1179.7-154.6136.5000111.8R78 A80 W86R78-L82 WeakPolarHBondContact O-CB 3.47Å; R78-L82 PolarHBondContact O-N 3.38Å; R78-L82 VanDerWaalsContact O-N 3.13Å; A80-L82 VanDerWaalsContact C-N 3.33Å; A80-L82 PolarHBondContact O-N 3.23Å; L82-W86 WeakPolarHBondContact O-CB 3.41Å; L82-W86 PolarHBondContact O-N 2.85Å; L82-W86 VanDerWaalsContact O-N 3.11Å
83R68.8Low68.9Low124 Ų12483.9 Ų83.947%0.46841%0.409SS..Hα-helixtrans-64.5-43.2171.4-175.8-179.3-174.9169.94.3111.7G13 L79 A80 W86 V87G13-R83 PolarHBondContact O-NE 3.42Å; G13-R83 PolarHBondContact O-NH2 2.95Å; L79-R83 WeakPolarHBondContact O-CB 3.46Å; L79-R83 PolarHBondContact O-N 3.33Å; L79-R83 VanDerWaalsContact O-N 3.1Å; A80-R83 PolarHBondContact O-N 2.99Å; R83-W86 WeakPolarHBondContact O-CB 3.14Å; R83-W86 PolarHBondContact O-N 3.45Å; R83-V87 WeakPolarHBondContact O-CG2 3.27Å; R83-V87 PolarHBondContact O-N 2.82Å
84L68Low69.2Low37 Ų3779.2 Ų79.219%0.19439%0.386CS..Hα-helixtrans-58.6-52.7177.3-125.5175.9000112.2T64 S68 A80 V81 W86 V87 L88T64-L84 HydrophobicContact CG2-CD2 3.65Å; S68-L84 VanDerWaalsContact CB-CG 3.46Å; S68-L84 WeakPolarHBondContact OG-CD1 3.49Å; A80-L84 WeakPolarHBondContact O-CB 3.01Å; A80-L84 PolarHBondContact O-N 3.41Å; V81-L84 VanDerWaalsContact O-CB 3.28Å; V81-L84 WeakPolarHBondContact O-CB 3.29Å; V81-L84 PolarHBondContact O-N 3.15Å; L84-W86 PolarHBondContact O-N 2.91Å; L84-V87 PolarHBondContact O-N 3.35Å; L84-L88 VanDerWaalsContact O-CB 3.3Å; L84-L88 WeakPolarHBondContact O-CB 3.38Å; L84-L88 PolarHBondContact O-N 3.14Å
85L72.6Confident69.4Low100 Ų10074.7 Ų74.752%0.52437%0.366SS..Hα-helixtrans-60.2-38.2179.4-77.2169.3000110.4V81 T89V81-L85 HydrophobicContact CG1-CD1 3.83Å; V81-L85 HydrophobicContact CG1-CG 4.29Å; V81-L85 WeakPolarHBondContact O-CB 3.22Å; V81-L85 WeakPolarHBondContact O-CG 3.36Å; V81-L85 PolarHBondContact O-N 3.29Å; L85-T89 VanDerWaalsContact O-CG2 3.27Å; L85-T89 WeakPolarHBondContact O-CG2 3.45Å; L85-T89 PolarHBondContact O-N 3.32Å; L85-T89 PolarHBondContact O-OG1 3.22Å; L85-T89 VanDerWaalsContact O-OG1 3.1Å
86W71.8Confident70.2Confident50 Ų5071.9 Ų71.919%0.18935%0.354CS..Hα-helixtrans-64-48.1174.7-175.8-82.4000113.1L82 R83 L84 L88 T89 V90 L129 R133L82-W86 WeakPolarHBondContact O-CB 3.41Å; L82-W86 PolarHBondContact O-N 2.85Å; L82-W86 VanDerWaalsContact O-N 3.11Å; R83-W86 WeakPolarHBondContact O-CB 3.14Å; R83-W86 PolarHBondContact O-N 3.45Å; L84-W86 PolarHBondContact O-N 2.91Å; W86-L88 VanDerWaalsContact C-N 3.29Å; W86-L88 PolarHBondContact O-N 3.43Å; W86-T89 WeakPolarHBondContact CA-OG1 3.44Å; W86-T89 PolarHBondContact O-N 3.32Å; W86-T89 PolarHBondContact O-OG1 3.42Å; W86-V90 WeakPolarHBondContact O-CG2 3.43Å; W86-V90 PolarHBondContact O-N 3.18Å; W86-L129 HydrophobicContact CH2-CB 3.88Å; W86-L129 HydrophobicContact CH2-CD2 3.4Å; W86-L129 VanDerWaalsContact CH2-CD2 3.4Å; W86-L129 HydrophobicContact CH2-CG 4.26Å; W86-L129 WeakPolarHBondContact CH2-O 3.44Å; W86-L129 HydrophobicContact CZ2-CB 4.18Å; W86-L129 HydrophobicContact CZ2-CD2 4.37Å; W86-L129 HydrophobicContact CZ3-CD2 3.53Å; W86-R133 HydrophobicContact CH2-CB 4.12Å; W86-R133 HydrophobicContact CZ2-CB 3.95Å; W86-R133 HydrophobicContact CZ2-CG 4.39Å
87V70.8Confident70.7Confident4 Ų466.6 Ų66.62%0.02433%0.331CS..Hα-helixtrans-64.6-40.3179.2173.80000110F14 T64 R83 L84 V90 L91F14-V87 HydrophobicContact CD1-CG1 4.45Å; F14-V87 HydrophobicContact CD2-CG1 4.35Å; F14-V87 HydrophobicContact CD2-CG2 4.46Å; F14-V87 HydrophobicContact CE1-CG1 4.08Å; F14-V87 HydrophobicContact CE2-CG1 3.98Å; F14-V87 HydrophobicContact CZ-CG1 3.88Å; T64-V87 HydrophobicContact CG2-CB 4.17Å; T64-V87 HydrophobicContact CG2-CG1 3.81Å; R83-V87 WeakPolarHBondContact O-CG2 3.27Å; R83-V87 PolarHBondContact O-N 2.82Å; L84-V87 PolarHBondContact O-N 3.35Å; V87-V90 PolarHBondContact O-N 3.34Å; V87-L91 HydrophobicContact CG1-CD1 3.56Å; V87-L91 VanDerWaalsContact O-CD1 3.29Å; V87-L91 WeakPolarHBondContact O-CD1 3.3Å; V87-L91 PolarHBondContact O-N 3.29Å
88L74.8Confident71.4Confident81 Ų8163.3 Ų63.342%0.42432%0.317SS..Hα-helixtrans-63.1-41.5176.5-162.890.5000112.5T61 L84 W86 S92T61-L88 HydrophobicContact CG2-CD1 4.32Å; L84-L88 VanDerWaalsContact O-CB 3.3Å; L84-L88 WeakPolarHBondContact O-CB 3.38Å; L84-L88 PolarHBondContact O-N 3.14Å; W86-L88 VanDerWaalsContact C-N 3.29Å; W86-L88 PolarHBondContact O-N 3.43Å; L88-S92 VanDerWaalsContact O-CB 3.29Å; L88-S92 WeakPolarHBondContact O-CB 3.4Å; L88-S92 PolarHBondContact O-N 3.18Å; L88-S92 PolarHBondContact O-OG 3.07Å; L88-S92 VanDerWaalsContact O-OG 3.11Å
89T73.1Confident71.8Confident66 Ų6654.7 Ų54.741%0.40529%0.29SS..Hα-helixtrans-68.6-35.2176.552.80000112L85 W86 S92 L93L85-T89 VanDerWaalsContact O-CG2 3.27Å; L85-T89 WeakPolarHBondContact O-CG2 3.45Å; L85-T89 PolarHBondContact O-N 3.32Å; L85-T89 PolarHBondContact O-OG1 3.22Å; L85-T89 VanDerWaalsContact O-OG1 3.1Å; W86-T89 WeakPolarHBondContact CA-OG1 3.44Å; W86-T89 PolarHBondContact O-N 3.32Å; W86-T89 PolarHBondContact O-OG1 3.42Å; T89-S92 WeakPolarHBondContact CA-OG 3.36Å; T89-S92 PolarHBondContact O-OG 3.42Å; T89-S92 VanDerWaalsContact O-OG 3.07Å; T89-L93 VanDerWaalsContact O-CB 3.26Å; T89-L93 WeakPolarHBondContact O-CB 3.29Å; T89-L93 PolarHBondContact O-N 3.34Å; T89-L93 VanDerWaalsContact O-N 3.07Å
90V73.4Confident72.2Confident12 Ų1249.8 Ų49.87%0.07326%0.264CS..Hα-helixtrans-67.8-46.7174.4166.70000111.5F14 W86 V87 L93 K94 L126F14-V90 HydrophobicContact CE2-CG1 3.94Å; F14-V90 HydrophobicContact CZ-CG1 4.22Å; W86-V90 WeakPolarHBondContact O-CG2 3.43Å; W86-V90 PolarHBondContact O-N 3.18Å; V87-V90 PolarHBondContact O-N 3.34Å; V90-L93 PolarHBondContact O-N 2.99Å; V90-K94 PolarHBondContact O-N 3.2Å; V90-L126 HydrophobicContact CB-CD1 4.23Å; V90-L126 HydrophobicContact CG1-CD1 3.91Å; V90-L126 HydrophobicContact CG2-CD1 4Å
91L74.9Confident72.5Confident4 Ų452.5 Ų52.52%0.02128%0.277CS..Hα-helixtrans-60-48.4175-100.599.5000111.4F14 D57 T61 V87 L93 K94 L95F14-L91 HydrophobicContact CE1-CD1 3.41Å; F14-L91 VanDerWaalsContact CE1-CD1 3.41Å; F14-L91 HydrophobicContact CE1-CG 4.41Å; F14-L91 HydrophobicContact CE2-CD1 4.42Å; F14-L91 HydrophobicContact CZ-CD1 3.3Å; F14-L91 HydrophobicContact CZ-CG 4.27Å; D57-L91 WeakPolarHBondContact O-CD2 3.48Å; D57-L91 VanDerWaalsContact OD1-CD2 3.25Å; D57-L91 WeakPolarHBondContact OD1-CD2 3.47Å; T61-L91 WeakPolarHBondContact OG1-CD2 3.44Å; V87-L91 HydrophobicContact CG1-CD1 3.56Å; V87-L91 VanDerWaalsContact O-CD1 3.29Å; V87-L91 WeakPolarHBondContact O-CD1 3.3Å; V87-L91 PolarHBondContact O-N 3.29Å; L91-L93 VanDerWaalsContact C-N 3.28Å; L91-L93 PolarHBondContact O-N 3.38Å; L91-K94 WeakPolarHBondContact O-CB 3.11Å; L91-K94 PolarHBondContact O-N 3.48Å; L91-K94 VanDerWaalsContact O-N 3.13Å; L91-L95 PolarHBondContact O-N 3.01Å
92S73.2Confident72.7Confident56 Ų5649.5 Ų49.539%0.39226%0.259SS..Hα-helixtrans-63.1-37.8-177.667.40000111.8L88 T89 L95 V96L88-S92 VanDerWaalsContact O-CB 3.29Å; L88-S92 WeakPolarHBondContact O-CB 3.4Å; L88-S92 PolarHBondContact O-N 3.18Å; L88-S92 PolarHBondContact O-OG 3.07Å; L88-S92 VanDerWaalsContact O-OG 3.11Å; T89-S92 WeakPolarHBondContact CA-OG 3.36Å; T89-S92 PolarHBondContact O-OG 3.42Å; T89-S92 VanDerWaalsContact O-OG 3.07Å; S92-L95 PolarHBondContact O-N 2.9Å; S92-V96 WeakPolarHBondContact O-CB 3.23Å; S92-V96 VanDerWaalsContact O-CG2 3.24Å; S92-V96 WeakPolarHBondContact O-CG2 3.29Å; S92-V96 PolarHBondContact O-N 2.9Å
93L73.9Confident72.8Confident34 Ų3447.9 Ų47.918%0.17825%0.248CC..Hα-helixtrans-68.6-36.8176.4-158.163.1000111.7T89 V90 L91 C97 P122 I125 L126T89-L93 VanDerWaalsContact O-CB 3.26Å; T89-L93 WeakPolarHBondContact O-CB 3.29Å; T89-L93 PolarHBondContact O-N 3.34Å; T89-L93 VanDerWaalsContact O-N 3.07Å; V90-L93 PolarHBondContact O-N 2.99Å; L91-L93 VanDerWaalsContact C-N 3.28Å; L91-L93 PolarHBondContact O-N 3.38Å; L93-C97 WeakPolarHBondContact O-CB 3.36Å; L93-C97 PolarHBondContact O-N 3.09Å; L93-P122 HydrophobicContact CD1-CB 3.7Å; L93-P122 WeakPolarHBondContact CD2-O 3.5Å; L93-P122 HydrophobicContact CG-CB 4.06Å; L93-I125 HydrophobicContact CD2-CB 4.18Å; L93-I125 HydrophobicContact CD2-CG2 3.89Å; L93-L126 HydrophobicContact CD2-CB 3.71Å; L93-L126 HydrophobicContact CD2-CD1 4.09Å
94K78.1Confident72.8Confident52 Ų5242.8 Ų42.823%0.22623%0.229CC..Hα-helixtrans-63.3-47.5171.3179.1-179.5164.9-71.80111.5D57 V90 L91 V96 C97 E98D57-K94 IonicContact OD2-NZ 2.82Å; D57-K94 PolarHBondContact OD2-NZ 2.84Å; V90-K94 PolarHBondContact O-N 3.2Å; L91-K94 WeakPolarHBondContact O-CB 3.11Å; L91-K94 PolarHBondContact O-N 3.48Å; L91-K94 VanDerWaalsContact O-N 3.13Å; K94-V96 PolarHBondContact O-N 3.34Å; K94-C97 WeakPolarHBondContact O-CB 3.37Å; K94-C97 PolarHBondContact O-N 3.47Å; K94-C97 VanDerWaalsContact O-N 3.15Å; K94-E98 VanDerWaalsContact CE-OE1 3.22Å; K94-E98 WeakPolarHBondContact CE-OE1 3.47Å; K94-E98 IonicContact NZ-OE1 2.65Å; K94-E98 PolarHBondContact NZ-OE1 3.14Å; K94-E98 IonicContact NZ-OE2 3.81Å; K94-E98 WeakPolarHBondContact O-CG 3.42Å; K94-E98 PolarHBondContact O-N 3.39Å
95L76.4Confident72.7Confident51 Ų5143.6 Ų43.627%0.26723%0.233SC..Hα-helixtrans-57.4-48175.3-81.3170.3000112.2F54 D57 L91 S92 C97 E98 V99F54-L95 HydrophobicContact CD1-CD2 3.71Å; F54-L95 HydrophobicContact CE1-CD2 4.08Å; D57-L95 HydrophobicContact CB-CD2 3.74Å; D57-L95 HydrophobicContact CB-CG 4.21Å; D57-L95 WeakPolarHBondContact OD1-CD1 3.48Å; D57-L95 WeakPolarHBondContact OD1-CD2 3.41Å; D57-L95 WeakPolarHBondContact OD1-CG 3.38Å; L91-L95 PolarHBondContact O-N 3.01Å; S92-L95 PolarHBondContact O-N 2.9Å; L95-C97 PolarHBondContact O-N 3.47Å; L95-E98 PolarHBondContact O-N 3.15Å; L95-E98 VanDerWaalsContact O-N 3.14Å; L95-V99 WeakPolarHBondContact O-CG2 3.42Å; L95-V99 PolarHBondContact O-N 3.04Å
96V77.3Confident72.4Confident75 Ų7540.5 Ų40.546%0.45522%0.222SC..Hα-helixtrans-59.1-40.9178168.40000110.2S92 K94 V99 L100S92-V96 WeakPolarHBondContact O-CB 3.23Å; S92-V96 VanDerWaalsContact O-CG2 3.24Å; S92-V96 WeakPolarHBondContact O-CG2 3.29Å; S92-V96 PolarHBondContact O-N 2.9Å; K94-V96 PolarHBondContact O-N 3.34Å; V96-V99 PolarHBondContact O-N 3.02Å; V96-L100 HydrophobicContact CG1-CD1 3.68Å; V96-L100 HydrophobicContact CG1-CG 4.4Å; V96-L100 VanDerWaalsContact O-CB 3.31Å; V96-L100 WeakPolarHBondContact O-CB 3.47Å; V96-L100 WeakPolarHBondContact O-CD1 3.34Å; V96-L100 VanDerWaalsContact O-CG 3.23Å; V96-L100 WeakPolarHBondContact O-CG 3.33Å; V96-L100 PolarHBondContact O-N 3.44Å
97C73.1Confident72Confident18 Ų1841.6 Ų41.612%0.12223%0.23CC..Hα-helixtrans-63.5-43.5175.6-150.50000112L93 K94 L95 L100 L101 P122L93-C97 WeakPolarHBondContact O-CB 3.36Å; L93-C97 PolarHBondContact O-N 3.09Å; K94-C97 WeakPolarHBondContact O-CB 3.37Å; K94-C97 PolarHBondContact O-N 3.47Å; K94-C97 VanDerWaalsContact O-N 3.15Å; L95-C97 PolarHBondContact O-N 3.47Å; C97-L100 PolarHBondContact O-N 3.07Å; C97-L101 WeakPolarHBondContact O-CB 3.38Å; C97-L101 VanDerWaalsContact O-CG 3.24Å; C97-L101 WeakPolarHBondContact O-CG 3.16Å; C97-L101 PolarHBondContact O-N 3.07Å; C97-P122 HydrophobicContact CB-CG 4.5Å
98E74.1Confident71.2Confident13 Ų1348.3 Ų48.36%0.06126%0.261CS..Hα-helixtrans-64.6-41.9176.4-72.2176.8-177.700112.6L53 F54 K94 L95 L101 C102L53-E98 HydrophobicContact CD2-CG 4.05Å; L53-E98 WeakPolarHBondContact CD2-OE1 3.24Å; F54-E98 HydrophobicContact CE1-CB 4.15Å; F54-E98 HydrophobicContact CZ-CB 4.39Å; K94-E98 VanDerWaalsContact CE-OE1 3.22Å; K94-E98 WeakPolarHBondContact CE-OE1 3.47Å; K94-E98 IonicContact NZ-OE1 2.65Å; K94-E98 PolarHBondContact NZ-OE1 3.14Å; K94-E98 IonicContact NZ-OE2 3.81Å; K94-E98 WeakPolarHBondContact O-CG 3.42Å; K94-E98 PolarHBondContact O-N 3.39Å; L95-E98 PolarHBondContact O-N 3.15Å; L95-E98 VanDerWaalsContact O-N 3.14Å; E98-L101 PolarHBondContact O-N 3.03Å; E98-C102 PolarHBondContact O-N 2.94Å; E98-C102 PolarHBondContact O-SG 3.29Å
99V72.6Confident70.2Confident48 Ų4850 Ų5029%0.29127%0.266SS..Hα-helixtrans-65.4-43.7175.8173.40000110.9F54 L95 V96 L101 C102 Q103F54-V99 HydrophobicContact CE1-CG2 3.64Å; F54-V99 HydrophobicContact CZ-CG2 3.75Å; L95-V99 WeakPolarHBondContact O-CG2 3.42Å; L95-V99 PolarHBondContact O-N 3.04Å; V96-V99 PolarHBondContact O-N 3.02Å; V99-L101 VanDerWaalsContact C-N 3.29Å; V99-L101 PolarHBondContact O-N 3.13Å; V99-C102 WeakPolarHBondContact O-CB 3.36Å; V99-C102 PolarHBondContact O-N 2.93Å; V99-Q103 WeakPolarHBondContact O-CG 3.4Å; V99-Q103 PolarHBondContact O-N 3.4Å
100L70.8Confident69.2Low29 Ų2954.5 Ų54.515%0.15228%0.283CS..Hα-helixtrans-61.6-39.1175.2-77.3162.3000111.2V96 C97 K104 L118 P122V96-L100 HydrophobicContact CG1-CD1 3.68Å; V96-L100 HydrophobicContact CG1-CG 4.4Å; V96-L100 VanDerWaalsContact O-CB 3.31Å; V96-L100 WeakPolarHBondContact O-CB 3.47Å; V96-L100 WeakPolarHBondContact O-CD1 3.34Å; V96-L100 VanDerWaalsContact O-CG 3.23Å; V96-L100 WeakPolarHBondContact O-CG 3.33Å; V96-L100 PolarHBondContact O-N 3.44Å; C97-L100 PolarHBondContact O-N 3.07Å; L100-K104 WeakPolarHBondContact O-CB 3.46Å; L100-K104 WeakPolarHBondContact O-CG 3.38Å; L100-K104 PolarHBondContact O-N 2.98Å; L100-L118 HydrophobicContact CD2-CD2 4.45Å; L100-P122 HydrophobicContact CD1-CG 3.93Å
101L70.2Confident68.1Low66 Ų6658.4 Ų58.435%0.34632%0.316SS..Hα-helixtrans-65.5-42.8174-75.2168.1000111.9F50 C97 E98 V99 K104 L105 I119F50-L101 HydrophobicContact CE1-CB 4.27Å; F50-L101 HydrophobicContact CZ-CB 4.13Å; C97-L101 WeakPolarHBondContact O-CB 3.38Å; C97-L101 VanDerWaalsContact O-CG 3.24Å; C97-L101 WeakPolarHBondContact O-CG 3.16Å; C97-L101 PolarHBondContact O-N 3.07Å; E98-L101 PolarHBondContact O-N 3.03Å; V99-L101 VanDerWaalsContact C-N 3.29Å; V99-L101 PolarHBondContact O-N 3.13Å; L101-K104 WeakPolarHBondContact O-CB 3.26Å; L101-K104 PolarHBondContact O-N 3.38Å; L101-L105 WeakPolarHBondContact O-CB 3.38Å; L101-L105 WeakPolarHBondContact O-CD1 3.41Å; L101-L105 PolarHBondContact O-N 3.15Å; L101-I119 HydrophobicContact CD2-CG2 3.78Å; L101-I119 HydrophobicContact CG-CG2 4.1Å
102C71.8Confident66.8Low1 Ų168 Ų681%0.00735%0.353CS..Hα-helixtrans-58.2-48.9174.5-70.60000111.8F50 E98 V99 K104 L105 A106F50-C102 WeakPolarHBondContact CB-SG 3.42Å; F50-C102 WeakPolarHBondContact CD1-SG 3.45Å; F50-C102 HydrophobicContact CD2-CB 4.48Å; F50-C102 WeakPolarHBondContact CD2-SG 3.29Å; F50-C102 WeakPolarHBondContact CG-SG 3.37Å; E98-C102 PolarHBondContact O-N 2.94Å; E98-C102 PolarHBondContact O-SG 3.29Å; V99-C102 WeakPolarHBondContact O-CB 3.36Å; V99-C102 PolarHBondContact O-N 2.93Å; C102-K104 VanDerWaalsContact C-N 3.29Å; C102-K104 PolarHBondContact O-N 3.45Å; C102-L105 PolarHBondContact O-N 3.47Å; C102-A106 WeakPolarHBondContact O-CB 3.24Å; C102-A106 PolarHBondContact O-N 2.97Å
103Q69.6Low65.6Low85 Ų8573.1 Ų73.140%0.39738%0.375SS..Hα-helixtrans-61.3-41.6179.8-74.7-178.5-10.900111V99 A106 E107V99-Q103 WeakPolarHBondContact O-CG 3.4Å; V99-Q103 PolarHBondContact O-N 3.4Å; Q103-A106 PolarHBondContact O-N 3.15Å; Q103-E107 VanDerWaalsContact O-CB 3.28Å; Q103-E107 WeakPolarHBondContact O-CB 3.5Å; Q103-E107 WeakPolarHBondContact O-CG 3.45Å; Q103-E107 PolarHBondContact O-N 2.79Å
104K68.8Low64.7Low17 Ų1774.5 Ų74.57%0.07438%0.382CS..Hα-helixtrans-61.5-48.2175.2-76.2-84.8-172.4149.80113.4L100 L101 C102 A106 E107 Q108 L114 W115 I119L100-K104 WeakPolarHBondContact O-CB 3.46Å; L100-K104 WeakPolarHBondContact O-CG 3.38Å; L100-K104 PolarHBondContact O-N 2.98Å; L101-K104 WeakPolarHBondContact O-CB 3.26Å; L101-K104 PolarHBondContact O-N 3.38Å; C102-K104 VanDerWaalsContact C-N 3.29Å; C102-K104 PolarHBondContact O-N 3.45Å; K104-A106 VanDerWaalsContact C-N 3.28Å; K104-A106 PolarHBondContact O-N 3.06Å; K104-E107 PolarHBondContact O-N 2.95Å; K104-Q108 WeakPolarHBondContact O-CB 3.35Å; K104-Q108 PolarHBondContact O-N 3.41Å; K104-L114 HydrophobicContact CD-CB 3.74Å; K104-L114 HydrophobicContact CD-CD2 3.98Å; K104-L114 HydrophobicContact CD-CG 4.39Å; K104-L114 HydrophobicContact CG-CD2 4.37Å; K104-L114 PolarHBondContact NZ-O 3.25Å; K104-W115 VanDerWaalsContact NZ-C 3.29Å; K104-W115 PolarHBondContact NZ-O 3.25Å; K104-I119 HydrophobicContact CB-CD1 4.32Å; K104-I119 HydrophobicContact CD-CD1 3.63Å; K104-I119 HydrophobicContact CD-CG1 4.15Å; K104-I119 VanDerWaalsContact CE-CG1 3.42Å; K104-I119 HydrophobicContact CG-CD1 3.53Å; K104-I119 HydrophobicContact CG-CG1 3.93Å
105L65.4Low63.7Low53 Ų5382.3 Ų82.328%0.27741%0.411SS..Hα-helixtrans-65-36.5-179.6-78.3150.7000111.2W46 F50 L101 C102W46-L105 HydrophobicContact CB-CB 4.33Å; W46-L105 HydrophobicContact CD2-CB 3.61Å; W46-L105 HydrophobicContact CD2-CD2 4.27Å; W46-L105 HydrophobicContact CD2-CG 4.42Å; W46-L105 HydrophobicContact CE3-CB 3.88Å; W46-L105 HydrophobicContact CE3-CD1 4.23Å; W46-L105 HydrophobicContact CE3-CD2 3.98Å; W46-L105 HydrophobicContact CE3-CG 4.25Å; W46-L105 HydrophobicContact CG-CB 3.83Å; W46-L105 HydrophobicContact CH2-CD2 3.67Å; W46-L105 HydrophobicContact CZ2-CD2 3.95Å; W46-L105 HydrophobicContact CZ3-CB 4.46Å; W46-L105 HydrophobicContact CZ3-CD1 4.43Å; W46-L105 HydrophobicContact CZ3-CD2 3.68Å; W46-L105 HydrophobicContact CZ3-CG 4.42Å; W46-L105 PolarHBondContact NE1-O 3.36Å; W46-L105 VanDerWaalsContact NE1-O 3.14Å; F50-L105 HydrophobicContact CE2-CD1 3.6Å; F50-L105 HydrophobicContact CZ-CD1 3.62Å; L101-L105 WeakPolarHBondContact O-CB 3.38Å; L101-L105 WeakPolarHBondContact O-CD1 3.41Å; L101-L105 PolarHBondContact O-N 3.15Å; C102-L105 PolarHBondContact O-N 3.47Å
106A66.5Low62.9Low35 Ų3587.5 Ų87.529%0.28943%0.431SS..Hα-helixtrans-70.3-38.5172.700000113.6C102 Q103 K104 E109C102-A106 WeakPolarHBondContact O-CB 3.24Å; C102-A106 PolarHBondContact O-N 2.97Å; Q103-A106 PolarHBondContact O-N 3.15Å; K104-A106 VanDerWaalsContact C-N 3.28Å; K104-A106 PolarHBondContact O-N 3.06Å; A106-E109 WeakPolarHBondContact O-CB 3.31Å
107E63Low62.1Low73 Ų7386.4 Ų86.434%0.34144%0.436SS..Hα-helixtrans-79.8-25.7178.8-76.6-176.915200113.4Q103 K104 E109 Q110 A111 L114Q103-E107 VanDerWaalsContact O-CB 3.28Å; Q103-E107 WeakPolarHBondContact O-CB 3.5Å; Q103-E107 WeakPolarHBondContact O-CG 3.45Å; Q103-E107 PolarHBondContact O-N 2.79Å; K104-E107 PolarHBondContact O-N 2.95Å; E107-E109 PolarHBondContact O-N 3.34Å; E107-Q110 CarbonylContact O-C 3.33Å; E107-Q110 WeakPolarHBondContact O-CA 3.38Å; E107-Q110 PolarHBondContact O-N 3.4Å; E107-A111 PolarHBondContact O-N 3.4Å; E107-A111 VanDerWaalsContact O-N 3.16Å; E107-L114 WeakPolarHBondContact OE2-CD1 3.43Å
108Q55.3Low61.7Low146 Ų14690.4 Ų90.468%0.68246%0.455SS*.Hα-helixtrans-68.3-26.6174.1-171.1151.9-48.200111.5K104 Q110K104-Q108 WeakPolarHBondContact O-CB 3.35Å; K104-Q108 PolarHBondContact O-N 3.41Å; Q108-Q110 PolarHBondContact O-N 2.98Å
109E53.4Low61.3Low115 Ų11590.8 Ų90.854%0.53746%0.457SS..THydrogen-bonded Turntrans-66.5-22.3166.9-148.1171.3177.400112.1R36 W46 A106 E107R36-E109 IonicContact NH2-OE2 3.91Å; W46-E109 PolarHBondContact NE1-OE2 3.28Å; A106-E109 WeakPolarHBondContact O-CB 3.31Å; E107-E109 PolarHBondContact O-N 3.34Å
110Q52.6Low61.1Low161 Ų16192 Ų9275%0.75247%0.465SS*.THydrogen-bonded Turntrans-109.711.9-174.7-155.374.1-13.600114.1E107 Q108E107-Q110 CarbonylContact O-C 3.33Å; E107-Q110 WeakPolarHBondContact O-CA 3.38Å; E107-Q110 PolarHBondContact O-N 3.4Å; Q108-Q110 PolarHBondContact O-N 2.98Å
111A50.5Low61.3Low94 Ų9493.3 Ų93.378%0.77748%0.476SS*.THydrogen-bonded Turntrans57.351.4172.700000115.8E107E107-A111 PolarHBondContact O-N 3.4Å; E107-A111 VanDerWaalsContact O-N 3.16Å
112R46.7Very low61.3Low207 Ų20790.7 Ų90.778%0.78146%0.464SS*.  trans-127.8117.3164.3-106.3-179.9175.8178-0.6111.8L114R112-L114 VanDerWaalsContact C-N 3.27Å; R112-L114 PolarHBondContact O-N 2.96Å
113D48.2Very low61.3Low163 Ų16395.3 Ų95.387%0.87249%0.487SS*.  trans-64.182174.7-77.4-49.2000111.1
114L54Low61.5Low62 Ų6296.8 Ų96.833%0.32549%0.493SS..  trans-68.8139.2165-149.686.8000106.4K104 E107 R112 F116K104-L114 HydrophobicContact CD-CB 3.74Å; K104-L114 HydrophobicContact CD-CD2 3.98Å; K104-L114 HydrophobicContact CD-CG 4.39Å; K104-L114 HydrophobicContact CG-CD2 4.37Å; K104-L114 PolarHBondContact NZ-O 3.25Å; E107-L114 WeakPolarHBondContact OE2-CD1 3.43Å; R112-L114 VanDerWaalsContact C-N 3.27Å; R112-L114 PolarHBondContact O-N 2.96Å; L114-F116 PolarHBondContact O-N 3.35Å
115W57.3Low61.9Low216 Ų21699.6 Ų99.682%0.81851%0.508SS*.  trans-70.9130-171-73.461.8000111.7K104 G117 L118K104-W115 VanDerWaalsContact NZ-C 3.29Å; K104-W115 PolarHBondContact NZ-O 3.25Å; W115-G117 PolarHBondContact O-N 3.46Å; W115-G117 VanDerWaalsContact O-N 3.17Å; W115-L118 PolarHBondContact O-N 2.96Å
116F59.5Low62.2Low160 Ų16098.8 Ų98.870%0.70250%0.504SS*.Hα-helixtrans-55.6-29.8177.8-105-95.9000112.6L114 L118 I119 V120L114-F116 PolarHBondContact O-N 3.35Å; F116-L118 VanDerWaalsContact C-N 3.3Å; F116-L118 PolarHBondContact O-N 2.97Å; F116-I119 PolarHBondContact O-N 3.01Å; F116-V120 WeakPolarHBondContact O-CG2 3.42Å; F116-V120 PolarHBondContact O-N 3.33Å
117G61.2Low62.4Low53 Ų53102.6 Ų102.655%0.54652%0.518SS..Hα-helixtrans-61.4-30.7179.400000114.8W115 S121W115-G117 PolarHBondContact O-N 3.46Å; W115-G117 VanDerWaalsContact O-N 3.17Å; G117-S121 PolarHBondContact O-N 3.43Å; G117-S121 VanDerWaalsContact O-N 3.13Å
118L65.4Low63.1Low101 Ų101103.6 Ų103.653%0.52952%0.523SS..Hα-helixtrans-73-31.8-179.6-168.965.9000112.4L100 W115 F116 P122L100-L118 HydrophobicContact CD2-CD2 4.45Å; W115-L118 PolarHBondContact O-N 2.96Å; F116-L118 VanDerWaalsContact C-N 3.3Å; F116-L118 PolarHBondContact O-N 2.97Å; L118-P122 WeakPolarHBondContact O-CD 3.23Å
119I64.8Low64Low21 Ų2199.1 Ų99.111%0.10850%0.503CS..Hα-helixtrans-73-40.5176.6-47.7172.6000110.5L101 K104 F116 S121 P122L101-I119 HydrophobicContact CD2-CG2 3.78Å; L101-I119 HydrophobicContact CG-CG2 4.1Å; K104-I119 HydrophobicContact CB-CD1 4.32Å; K104-I119 HydrophobicContact CD-CD1 3.63Å; K104-I119 HydrophobicContact CD-CG1 4.15Å; K104-I119 VanDerWaalsContact CE-CG1 3.42Å; K104-I119 HydrophobicContact CG-CD1 3.53Å; K104-I119 HydrophobicContact CG-CG1 3.93Å; F116-I119 PolarHBondContact O-N 3.01Å; I119-S121 VanDerWaalsContact C-N 3.3Å; I119-S121 PolarHBondContact O-N 3.44Å; I119-P122 VanDerWaalsContact O-CD 3.31Å; I119-P122 WeakPolarHBondContact O-CD 3.42Å; I119-P122 WeakPolarHBondContact O-CG 3.35Å
120V67.4Low64.7Low73 Ų7395.9 Ų95.944%0.44249%0.49SS..Hα-helixtrans-75.4-23.4-175.7178.40000111.5F116 L123 F124F116-V120 WeakPolarHBondContact O-CG2 3.42Å; F116-V120 PolarHBondContact O-N 3.33Å; V120-L123 WeakPolarHBondContact O-CB 3.45Å; V120-L123 PolarHBondContact O-N 3.23Å; V120-F124 WeakPolarHBondContact O-CB 3.32Å; V120-F124 PolarHBondContact O-N 3.32Å
121S75.1Confident65.8Low57 Ų5794.3 Ų94.340%0.39948%0.484SS..Hα-helixtrans-55.6-54.6179.6-177.60000114.2G117 I119 L123 F124 I125G117-S121 PolarHBondContact O-N 3.43Å; G117-S121 VanDerWaalsContact O-N 3.13Å; I119-S121 VanDerWaalsContact C-N 3.3Å; I119-S121 PolarHBondContact O-N 3.44Å; S121-L123 VanDerWaalsContact C-N 3.32Å; S121-L123 PolarHBondContact O-N 2.87Å; S121-F124 PolarHBondContact O-N 2.93Å; S121-I125 VanDerWaalsContact O-CG1 3.32Å; S121-I125 WeakPolarHBondContact O-CG1 3.15Å; S121-I125 PolarHBondContact O-N 3.44Å
122P71.6Confident67Low12 Ų1295 Ų958%0.07847%0.473CS..Hα-helixtrans-64.3-34.9177.220.9-30.5000112.9L93 C97 L100 L118 I119 F124 I125 L126L93-P122 HydrophobicContact CD1-CB 3.7Å; L93-P122 WeakPolarHBondContact CD2-O 3.5Å; L93-P122 HydrophobicContact CG-CB 4.06Å; C97-P122 HydrophobicContact CB-CG 4.5Å; L100-P122 HydrophobicContact CD1-CG 3.93Å; L118-P122 WeakPolarHBondContact O-CD 3.23Å; I119-P122 VanDerWaalsContact O-CD 3.31Å; I119-P122 WeakPolarHBondContact O-CD 3.42Å; I119-P122 WeakPolarHBondContact O-CG 3.35Å; P122-F124 VanDerWaalsContact C-N 3.33Å; P122-F124 PolarHBondContact O-N 3.44Å; P122-I125 PolarHBondContact O-N 2.97Å; P122-L126 WeakPolarHBondContact O-CB 3.39Å; P122-L126 PolarHBondContact O-N 3.46Å
123L70.8Confident67.9Low97 Ų9787.5 Ų87.551%0.50845%0.445SS..Hα-helixtrans-62.3-42.3174-167.691.4000111.5V120 S121 L126 L127V120-L123 WeakPolarHBondContact O-CB 3.45Å; V120-L123 PolarHBondContact O-N 3.23Å; S121-L123 VanDerWaalsContact C-N 3.32Å; S121-L123 PolarHBondContact O-N 2.87Å; L123-L126 WeakPolarHBondContact O-CB 3.1Å; L123-L126 PolarHBondContact O-N 2.95Å; L123-L127 PolarHBondContact O-N 3.33Å
124F74.1Confident68.8Low117 Ų11780.5 Ų80.551%0.51341%0.41SS..Hα-helixtrans-68.2-41.5-179.7-164.4-103.6000111.8V120 S121 P122 L126 L127 Q128V120-F124 WeakPolarHBondContact O-CB 3.32Å; V120-F124 PolarHBondContact O-N 3.32Å; S121-F124 PolarHBondContact O-N 2.93Å; P122-F124 VanDerWaalsContact C-N 3.33Å; P122-F124 PolarHBondContact O-N 3.44Å; F124-L126 VanDerWaalsContact C-N 3.31Å; F124-L126 PolarHBondContact O-N 3Å; F124-L127 PolarHBondContact O-N 2.85Å; F124-Q128 HydrophobicContact CD1-CG 4.42Å; F124-Q128 VanDerWaalsContact CE1-CD 3.46Å; F124-Q128 HydrophobicContact CE1-CG 4.26Å; F124-Q128 PolarHBondContact O-N 3.35Å
125I77.1Confident69.4Low76 Ų7681.9 Ų81.939%0.3942%0.424SS..Hα-helixtrans-61.3-41.7173.9-66.3165.1000110.4L93 S121 P122 Q128 L129L93-I125 HydrophobicContact CD2-CB 4.18Å; L93-I125 HydrophobicContact CD2-CG2 3.89Å; S121-I125 VanDerWaalsContact O-CG1 3.32Å; S121-I125 WeakPolarHBondContact O-CG1 3.15Å; S121-I125 PolarHBondContact O-N 3.44Å; P122-I125 PolarHBondContact O-N 2.97Å; I125-Q128 PolarHBondContact O-N 3.4Å; I125-L129 HydrophobicContact CG2-CD1 4.04Å; I125-L129 WeakPolarHBondContact O-CB 3.19Å; I125-L129 PolarHBondContact O-N 2.9Å
126L72.8Confident69.8Low36 Ų3681.4 Ų81.419%0.18842%0.422CS..Hα-helixtrans-61.1-45.4176.1-173.969.6000111.5V90 L93 P122 L123 F124 L129 L130V90-L126 HydrophobicContact CB-CD1 4.23Å; V90-L126 HydrophobicContact CG1-CD1 3.91Å; V90-L126 HydrophobicContact CG2-CD1 4Å; L93-L126 HydrophobicContact CD2-CB 3.71Å; L93-L126 HydrophobicContact CD2-CD1 4.09Å; P122-L126 WeakPolarHBondContact O-CB 3.39Å; P122-L126 PolarHBondContact O-N 3.46Å; L123-L126 WeakPolarHBondContact O-CB 3.1Å; L123-L126 PolarHBondContact O-N 2.95Å; F124-L126 VanDerWaalsContact C-N 3.31Å; F124-L126 PolarHBondContact O-N 3Å; L126-L129 PolarHBondContact O-N 2.93Å; L126-L130 HydrophobicContact CG-CD1 4.37Å; L126-L130 WeakPolarHBondContact O-CG 3.33Å; L126-L130 PolarHBondContact O-N 3.44Å
127L70.9Confident69.8Low114 Ų11476.7 Ų76.760%0.59741%0.406SS*.Hα-helixtrans-64.4-40.7-180-148.782000111.7L123 F124 L130 M131L123-L127 PolarHBondContact O-N 3.33Å; F124-L127 PolarHBondContact O-N 2.85Å; L127-L130 PolarHBondContact O-N 3.2Å; L127-M131 PolarHBondContact O-N 3.49Å
128Q77.1Confident69Low94 Ų9483.6 Ų83.644%0.43943%0.431SS..Hα-helixtrans-66.3-41.2175.7-77.6175.5-34.500112.4F124 I125 L130 M131 I132F124-Q128 HydrophobicContact CD1-CG 4.42Å; F124-Q128 VanDerWaalsContact CE1-CD 3.46Å; F124-Q128 HydrophobicContact CE1-CG 4.26Å; F124-Q128 PolarHBondContact O-N 3.35Å; I125-Q128 PolarHBondContact O-N 3.4Å; Q128-L130 VanDerWaalsContact C-N 3.34Å; Q128-L130 PolarHBondContact O-N 3.14Å; Q128-M131 PolarHBondContact O-N 2.77Å; Q128-I132 WeakPolarHBondContact O-CG1 3.31Å; Q128-I132 PolarHBondContact O-N 3.28Å
129L72.8Confident69.2Low52 Ų5282.8 Ų82.827%0.27243%0.426SS..Hα-helixtrans-60.1-43.6173.8-87.8159.7000111.7W86 I125 L126 I132 R133W86-L129 HydrophobicContact CH2-CB 3.88Å; W86-L129 HydrophobicContact CH2-CD2 3.4Å; W86-L129 VanDerWaalsContact CH2-CD2 3.4Å; W86-L129 HydrophobicContact CH2-CG 4.26Å; W86-L129 WeakPolarHBondContact CH2-O 3.44Å; W86-L129 HydrophobicContact CZ2-CB 4.18Å; W86-L129 HydrophobicContact CZ2-CD2 4.37Å; W86-L129 HydrophobicContact CZ3-CD2 3.53Å; I125-L129 HydrophobicContact CG2-CD1 4.04Å; I125-L129 WeakPolarHBondContact O-CB 3.19Å; I125-L129 PolarHBondContact O-N 2.9Å; L126-L129 PolarHBondContact O-N 2.93Å; L129-I132 PolarHBondContact O-N 3.01Å; L129-R133 PolarHBondContact O-N 3.32Å; L129-R133 VanDerWaalsContact O-N 3.14Å
130L69.2Low69.4Low47 Ų4786 Ų8625%0.24644%0.442CS..Hα-helixtrans-62.1-42.6175.2-75.5164.8000111.8L12 L126 L127 Q128 R133 A134L12-L130 HydrophobicContact CD1-CD2 3.81Å; L126-L130 HydrophobicContact CG-CD1 4.37Å; L126-L130 WeakPolarHBondContact O-CG 3.33Å; L126-L130 PolarHBondContact O-N 3.44Å; L127-L130 PolarHBondContact O-N 3.2Å; Q128-L130 VanDerWaalsContact C-N 3.34Å; Q128-L130 PolarHBondContact O-N 3.14Å; L130-R133 PolarHBondContact O-N 3.48Å; L130-A134 WeakPolarHBondContact O-CB 3.28Å; L130-A134 PolarHBondContact O-N 3.41Å
131M74.6Confident69.5Low129 Ų12986.7 Ų86.764%0.63544%0.442SS*.Hα-helixtrans-63.9-41.3177.3-172-173.6177.300112.6L127 Q128 R133 A134 C135L127-M131 PolarHBondContact O-N 3.49Å; Q128-M131 PolarHBondContact O-N 2.77Å; M131-R133 VanDerWaalsContact C-N 3.3Å; M131-R133 PolarHBondContact O-N 3.29Å; M131-A134 VanDerWaalsContact O-CB 3.23Å; M131-A134 WeakPolarHBondContact O-CB 3.49Å; M131-A134 PolarHBondContact O-N 2.6Å; M131-C135 PolarHBondContact O-N 2.97Å; M131-C135 PolarHBondContact O-SG 3.17Å; M131-C135 VanDerWaalsContact O-SG 3.36Å
132I75.7Confident69.2Low108 Ų10888.5 Ų88.555%0.55445%0.445SS*.Hα-helixtrans-64.9-38.8177.9-67.5164.7000110.7Q128 L129 C135 R136Q128-I132 WeakPolarHBondContact O-CG1 3.31Å; Q128-I132 PolarHBondContact O-N 3.28Å; L129-I132 PolarHBondContact O-N 3.01Å; I132-C135 PolarHBondContact O-N 3.3Å; I132-R136 PolarHBondContact O-N 3.16Å
133R67.4Low69Low49 Ų4993.3 Ų93.319%0.18547%0.468CS..Hα-helixtrans-69.9-38.6177.7-168.3172.9174.4-171.4-13.1111.8Q10 W11 L12 W86 L129 L130 M131 C135 R136 V137Q10-R133 PolarHBondContact O-NH2 2.79Å; W11-R133 WeakPolarHBondContact O-CD 3.34Å; W11-R133 PolarHBondContact O-NE 3.13Å; W11-R133 PolarHBondContact O-NH1 3.08Å; W11-R133 PolarHBondContact O-NH2 3.44Å; L12-R133 PolarHBondContact O-NH1 2.85Å; W86-R133 HydrophobicContact CH2-CB 4.12Å; W86-R133 HydrophobicContact CZ2-CB 3.95Å; W86-R133 HydrophobicContact CZ2-CG 4.39Å; L129-R133 PolarHBondContact O-N 3.32Å; L129-R133 VanDerWaalsContact O-N 3.14Å; L130-R133 PolarHBondContact O-N 3.48Å; M131-R133 VanDerWaalsContact C-N 3.3Å; M131-R133 PolarHBondContact O-N 3.29Å; R133-C135 PolarHBondContact O-N 3.22Å; R133-R136 PolarHBondContact O-N 2.9Å; R133-V137 HydrophobicContact CG-CG2 4.2Å; R133-V137 VanDerWaalsContact O-CG2 3.32Å; R133-V137 WeakPolarHBondContact O-CG2 3.34Å; R133-V137 PolarHBondContact O-N 2.81Å
134A65.6Low68.9Low17 Ų1793 Ų9314%0.1447%0.465CS..Hα-helixtrans-49.5-48.2171.500000111.9W11 L130 M131 R136W11-A134 HydrophobicContact CE3-CB 3.78Å; W11-A134 VanDerWaalsContact CH2-CA 3.43Å; W11-A134 HydrophobicContact CH2-CB 3.24Å; W11-A134 HydrophobicContact CZ2-CB 4.24Å; W11-A134 HydrophobicContact CZ3-CB 2.97Å; L130-A134 WeakPolarHBondContact O-CB 3.28Å; L130-A134 PolarHBondContact O-N 3.41Å; M131-A134 VanDerWaalsContact O-CB 3.23Å; M131-A134 WeakPolarHBondContact O-CB 3.49Å; M131-A134 PolarHBondContact O-N 2.6Å; A134-R136 VanDerWaalsContact C-N 3.31Å; A134-R136 PolarHBondContact O-N 3.43Å
135C67.2Low68.6Low90 Ų9091.3 Ų91.361%0.60846%0.462SS*.Hα-helixtrans-72.9-19-178.5-63.60000114.2M131 I132 R133M131-C135 PolarHBondContact O-N 2.97Å; M131-C135 PolarHBondContact O-SG 3.17Å; M131-C135 VanDerWaalsContact O-SG 3.36Å; I132-C135 PolarHBondContact O-N 3.3Å; R133-C135 PolarHBondContact O-N 3.22Å
136R64.9Low67.9Low206 Ų20692.5 Ų92.578%0.77747%0.467SS*.Hα-helixtrans-92-14.8178.5-79.9-122.5-73.5177.4-4.8114.3I132 R133 A134I132-R136 PolarHBondContact O-N 3.16Å; R133-R136 PolarHBondContact O-N 2.9Å; A134-R136 VanDerWaalsContact C-N 3.31Å; A134-R136 PolarHBondContact O-N 3.43Å
137V59.4Low67.5Low61 Ų6197.2 Ų97.237%0.3749%0.491SS..Hα-helixtrans-95.9-12.1-175.6174.80000112.4R133R133-V137 HydrophobicContact CG-CG2 4.2Å; R133-V137 VanDerWaalsContact O-CG2 3.32Å; R133-V137 WeakPolarHBondContact O-CG2 3.34Å; R133-V137 PolarHBondContact O-N 2.81Å
138N45.2Very low67.2Low199 Ų19995.6 Ų95.6100%1.06448%0.481SS*.  trans-85.20164.5-90.85.6000111.4

Retrieved 138 of 138 residues in 128.8 ms (Link to these results)