A0A087XS91_POEFO Loading...

TLC domain containing 1

AlphaFold DB , UniProt , Accession A0A087XS91, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 259 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M49.8Very low55.1Low179 Ų17990.1 Ų90.188%0.88251%0.51SS*.  0-44.30-109.3-177.1-72.400112.1L4 L5M1-L4 PolarHBondContact O-N 2.88Å; M1-L5 PolarHBondContact O-N 3.11Å; M1-L5 VanDerWaalsContact O-N 3.16Å
2E45.1Very low55.7Low163 Ų16384.4 Ų84.476%0.76248%0.479SS*.Hα-helixtrans-68.1-35.3-176.9-57.4-154.5158.100115.1L5 S6E2-L5 WeakPolarHBondContact O-CB 3.37Å; E2-L5 PolarHBondContact O-N 3.21Å; E2-S6 PolarHBondContact O-N 3.3Å
3A51.6Low56.2Low76 Ų7679.8 Ų79.863%0.62846%0.462SS*.Hα-helixtrans-63.5-44.2175.200000112.4L5 S6 V7A3-L5 VanDerWaalsContact C-N 3.26Å; A3-L5 PolarHBondContact O-N 3.44Å; A3-S6 PolarHBondContact O-N 2.9Å; A3-S6 PolarHBondContact O-OG 3.38Å; A3-V7 WeakPolarHBondContact O-CG2 3.46Å; A3-V7 PolarHBondContact O-N 3.15Å
4L54.9Low56.9Low114 Ų11479.1 Ų79.160%0.59746%0.461SS*.Hα-helixtrans-61.1-37.6174.8-170.671.6000111.1M1 V7 L8M1-L4 PolarHBondContact O-N 2.88Å; L4-V7 PolarHBondContact O-N 2.93Å; L4-L8 HydrophobicContact CD1-CD1 4.23Å; L4-L8 HydrophobicContact CD2-CD1 4.3Å; L4-L8 HydrophobicContact CG-CD1 3.68Å; L4-L8 WeakPolarHBondContact O-CB 3.38Å; L4-L8 WeakPolarHBondContact O-CD1 3.43Å; L4-L8 PolarHBondContact O-N 3.43Å
5L54.8Low57.2Low21 Ų2174.7 Ų74.711%0.1144%0.438CS..Hα-helixtrans-67.4-41.1178-165.974.9000112.8M1 E2 A3 V7 L8 K9 T86 Y89M1-L5 PolarHBondContact O-N 3.11Å; M1-L5 VanDerWaalsContact O-N 3.16Å; E2-L5 WeakPolarHBondContact O-CB 3.37Å; E2-L5 PolarHBondContact O-N 3.21Å; A3-L5 VanDerWaalsContact C-N 3.26Å; A3-L5 PolarHBondContact O-N 3.44Å; L5-V7 VanDerWaalsContact C-N 3.26Å; L5-V7 PolarHBondContact O-N 3.48Å; L5-L8 PolarHBondContact O-N 3.14Å; L5-K9 HydrophobicContact CD2-CD 4.48Å; L5-K9 HydrophobicContact CG-CD 4.26Å; L5-K9 HydrophobicContact CG-CG 4.42Å; L5-K9 WeakPolarHBondContact O-CB 3.49Å; L5-K9 WeakPolarHBondContact O-CG 3.49Å; L5-K9 PolarHBondContact O-N 3.34Å; L5-T86 HydrophobicContact CB-CG2 4.47Å; L5-T86 HydrophobicContact CD1-CG2 3.43Å; L5-T86 VanDerWaalsContact CD1-CG2 3.43Å; L5-T86 HydrophobicContact CD2-CG2 3.89Å; L5-T86 WeakPolarHBondContact CD2-OG1 3.22Å; L5-T86 HydrophobicContact CG-CG2 4.11Å; L5-Y89 HydrophobicContact CD1-CD1 4.49Å
6S54.8Low57.5Low76 Ų7672 Ų7253%0.53142%0.422SS..Hα-helixtrans-62-37.6176.871.40000111.7E2 A3 G10E2-S6 PolarHBondContact O-N 3.3Å; A3-S6 PolarHBondContact O-N 2.9Å; A3-S6 PolarHBondContact O-OG 3.38Å; S6-G10 PolarHBondContact O-N 3.14Å
7V57.7Low58Low94 Ų9474.5 Ų74.557%0.5743%0.433SS*.Hα-helixtrans-71.3-43.3175.5176.40000111.2A3 L4 L5 G10 H11A3-V7 WeakPolarHBondContact O-CG2 3.46Å; A3-V7 PolarHBondContact O-N 3.15Å; L4-V7 PolarHBondContact O-N 2.93Å; L5-V7 VanDerWaalsContact C-N 3.26Å; L5-V7 PolarHBondContact O-N 3.48Å; V7-G10 PolarHBondContact O-N 2.99Å; V7-H11 PolarHBondContact O-N 3.03Å
8L58.3Low58.5Low24 Ų2475.1 Ų75.113%0.12644%0.437CS..Hα-helixtrans-62-41.9175.3-100.9110.5000112.6L4 L5 H11 A15 Y89 L90L4-L8 HydrophobicContact CD1-CD1 4.23Å; L4-L8 HydrophobicContact CD2-CD1 4.3Å; L4-L8 HydrophobicContact CG-CD1 3.68Å; L4-L8 WeakPolarHBondContact O-CB 3.38Å; L4-L8 WeakPolarHBondContact O-CD1 3.43Å; L4-L8 PolarHBondContact O-N 3.43Å; L5-L8 PolarHBondContact O-N 3.14Å; L8-H11 CarbonylContact O-C 3.55Å; L8-H11 VanDerWaalsContact O-C 3.32Å; L8-H11 PolarHBondContact O-N 3.31Å; L8-A15 HydrophobicContact CB-CB 4.39Å; L8-A15 HydrophobicContact CD2-CB 3.48Å; L8-A15 VanDerWaalsContact CD2-CB 3.48Å; L8-A15 HydrophobicContact CG-CB 3.59Å; L8-Y89 HydrophobicContact CD2-CE1 4.48Å; L8-L90 HydrophobicContact CD2-CD1 4.26Å
9K58.3Low58.8Low74 Ų7472.2 Ų72.232%0.32242%0.422SS..Hα-helixtrans-68.9-35.8177.5-76.2-178.3175.1-173.70112.1L5 H11L5-K9 HydrophobicContact CD2-CD 4.48Å; L5-K9 HydrophobicContact CG-CD 4.26Å; L5-K9 HydrophobicContact CG-CG 4.42Å; L5-K9 WeakPolarHBondContact O-CB 3.49Å; L5-K9 WeakPolarHBondContact O-CG 3.49Å; L5-K9 PolarHBondContact O-N 3.34Å; K9-H11 VanDerWaalsContact C-N 3.33Å
10G58.2Low59Low52 Ų5270.4 Ų70.454%0.53641%0.413SS..Hα-helixtrans-72-26.6176.500000113.6S6 V7S6-G10 PolarHBondContact O-N 3.14Å; V7-G10 PolarHBondContact O-N 2.99Å
11H62.5Low59.3Low118 Ų11872 Ų7255%0.54642%0.419SS..  trans-139.173.2-174.3-64.170.9000111V7 L8 K9 G13 P14 A15V7-H11 PolarHBondContact O-N 3.03Å; L8-H11 CarbonylContact O-C 3.55Å; L8-H11 VanDerWaalsContact O-C 3.32Å; L8-H11 PolarHBondContact O-N 3.31Å; K9-H11 VanDerWaalsContact C-N 3.33Å; H11-G13 VanDerWaalsContact C-N 3.29Å; H11-G13 PolarHBondContact O-N 3.4Å; H11-P14 HydrophobicContact CB-CB 4.48Å; H11-P14 HydrophobicContact CB-CG 3.94Å; H11-P14 WeakPolarHBondContact O-CD 3.42Å; H11-A15 PolarHBondContact O-N 2.9Å
12P61.9Low60.1Low22 Ų2269 Ų6914%0.14341%0.406CS..Hα-helixtrans-62.5-34-177.723.1-32.7000112.7A15 V16 Y135P12-A15 PolarHBondContact O-N 3.45Å; P12-V16 WeakPolarHBondContact O-CB 3.46Å; P12-V16 WeakPolarHBondContact O-CG2 3.35Å; P12-V16 PolarHBondContact O-N 3.37Å; P12-Y135 HydrophobicContact CG-CD1 3.96Å; P12-Y135 HydrophobicContact CG-CE1 3.71Å
13G63.2Low61.2Low24 Ų2462.9 Ų62.925%0.24738%0.377CS..Hα-helixtrans-62.6-52.917900000114.5H11 A15 V16 L17H11-G13 VanDerWaalsContact C-N 3.29Å; H11-G13 PolarHBondContact O-N 3.4Å; G13-A15 VanDerWaalsContact C-N 3.32Å; G13-A15 PolarHBondContact O-N 3.15Å; G13-V16 WeakPolarHBondContact O-CB 3.47Å; G13-V16 PolarHBondContact O-N 3.17Å; G13-L17 WeakPolarHBondContact O-CG 3.45Å; G13-L17 PolarHBondContact O-N 3.46Å
14P65.4Low62Low71 Ų7166.3 Ų66.346%0.46137%0.374SS..Hα-helixtrans-60.2-37.7174.8-29.436.2000114H11 V16 L17 V18H11-P14 HydrophobicContact CB-CB 4.48Å; H11-P14 HydrophobicContact CB-CG 3.94Å; H11-P14 WeakPolarHBondContact O-CD 3.42Å; P14-V16 VanDerWaalsContact C-N 3.34Å; P14-L17 PolarHBondContact O-N 3.35Å; P14-V18 WeakPolarHBondContact O-CG2 3.43Å; P14-V18 PolarHBondContact O-N 3.05Å
15A61.3Low62.5Low13 Ų1365.2 Ų65.211%0.10737%0.371CS..Hα-helixtrans-62.5-42.7175.900000112.3L8 H11 P12 G13 V18 C19L8-A15 HydrophobicContact CB-CB 4.39Å; L8-A15 HydrophobicContact CD2-CB 3.48Å; L8-A15 VanDerWaalsContact CD2-CB 3.48Å; L8-A15 HydrophobicContact CG-CB 3.59Å; H11-A15 PolarHBondContact O-N 2.9Å; P12-A15 PolarHBondContact O-N 3.45Å; G13-A15 VanDerWaalsContact C-N 3.32Å; G13-A15 PolarHBondContact O-N 3.15Å; A15-V18 PolarHBondContact O-N 3.07Å; A15-C19 PolarHBondContact O-N 3.27Å; A15-C19 PolarHBondContact O-SG 2.98Å
16V62.9Low63Low31 Ų3166.7 Ų66.719%0.18839%0.387CS..Hα-helixtrans-59.1-48.3172.4163.10000109.6P12 G13 P14 V18 C19 S20 A97P12-V16 WeakPolarHBondContact O-CB 3.46Å; P12-V16 WeakPolarHBondContact O-CG2 3.35Å; P12-V16 PolarHBondContact O-N 3.37Å; G13-V16 WeakPolarHBondContact O-CB 3.47Å; G13-V16 PolarHBondContact O-N 3.17Å; P14-V16 VanDerWaalsContact C-N 3.34Å; V16-V18 PolarHBondContact O-N 3.21Å; V16-C19 PolarHBondContact O-N 2.96Å; V16-S20 WeakPolarHBondContact O-CB 3.35Å; V16-S20 PolarHBondContact O-N 3.23Å; V16-A97 HydrophobicContact CB-CB 3.59Å; V16-A97 HydrophobicContact CG1-CB 3.31Å; V16-A97 HydrophobicContact CG2-CB 3.84Å; V16-A97 VanDerWaalsContact O-CB 3.23Å; V16-A97 WeakPolarHBondContact O-CB 3.3Å
17L65.6Low63.6Low114 Ų11463.5 Ų63.560%0.59736%0.364SS*.Hα-helixtrans-61.2-43.4179.1-71.6170.7000113.2G13 P14 S20 L21G13-L17 WeakPolarHBondContact O-CG 3.45Å; G13-L17 PolarHBondContact O-N 3.46Å; P14-L17 PolarHBondContact O-N 3.35Å; L17-S20 WeakPolarHBondContact O-CB 3.36Å; L17-S20 PolarHBondContact O-N 3.43Å; L17-L21 WeakPolarHBondContact O-CG 3.37Å; L17-L21 PolarHBondContact O-N 3.27Å
18V66.9Low63.9Low86 Ų8664.3 Ų64.352%0.52136%0.361SS..Hα-helixtrans-64.1-43.7177.9172.50000111.3P14 A15 V16 S20 L21 L22P14-V18 WeakPolarHBondContact O-CG2 3.43Å; P14-V18 PolarHBondContact O-N 3.05Å; A15-V18 PolarHBondContact O-N 3.07Å; V16-V18 PolarHBondContact O-N 3.21Å; V18-S20 VanDerWaalsContact C-N 3.29Å; V18-S20 PolarHBondContact O-N 3.41Å; V18-L21 PolarHBondContact O-N 3.48Å; V18-L22 HydrophobicContact CG1-CD1 4.27Å; V18-L22 WeakPolarHBondContact O-CG 3.29Å; V18-L22 PolarHBondContact O-N 2.79Å
19C63.8Low64.2Low20 Ų2068.9 Ų68.914%0.13539%0.385CS..Hα-helixtrans-62.1-39.1175.4-67.40000111.6A15 V16 L22 F23 A97A15-C19 PolarHBondContact O-N 3.27Å; A15-C19 PolarHBondContact O-SG 2.98Å; V16-C19 PolarHBondContact O-N 2.96Å; C19-L22 PolarHBondContact O-N 3.14Å; C19-F23 WeakPolarHBondContact O-CB 3.39Å; C19-F23 PolarHBondContact O-N 2.87Å; C19-A97 HydrophobicContact CB-CB 4.07Å
20S62.8Low64.4Low35 Ų3567.5 Ų67.525%0.24538%0.381CS..Hα-helixtrans-62.9-41.6175.6-162.70000112.4V16 L17 V18 F23 R24 A97V16-S20 WeakPolarHBondContact O-CB 3.35Å; V16-S20 PolarHBondContact O-N 3.23Å; L17-S20 WeakPolarHBondContact O-CB 3.36Å; L17-S20 PolarHBondContact O-N 3.43Å; V18-S20 VanDerWaalsContact C-N 3.29Å; V18-S20 PolarHBondContact O-N 3.41Å; S20-F23 PolarHBondContact O-N 3.31Å; S20-R24 WeakPolarHBondContact O-CB 3.23Å; S20-R24 PolarHBondContact O-N 3.23Å; S20-A97 VanDerWaalsContact CB-O 3.28Å; S20-A97 WeakPolarHBondContact CB-O 3.09Å; S20-A97 PolarHBondContact OG-O 2.75Å
21L65.8Low64.5Low106 Ų10669 Ų6956%0.55537%0.374SS*.Hα-helixtrans-66.1-44.1176.6-70.1171.6000112.2L17 V18 F23 R24 V25L17-L21 WeakPolarHBondContact O-CG 3.37Å; L17-L21 PolarHBondContact O-N 3.27Å; V18-L21 PolarHBondContact O-N 3.48Å; L21-F23 VanDerWaalsContact C-N 3.31Å; L21-F23 PolarHBondContact O-N 2.97Å; L21-R24 WeakPolarHBondContact O-CB 3.39Å; L21-R24 PolarHBondContact O-N 3.47Å; L21-V25 WeakPolarHBondContact O-CG2 3.32Å; L21-V25 PolarHBondContact O-N 2.9Å
22L66.6Low64.5Low115 Ų11573.5 Ų73.560%0.60239%0.386SS*.Hα-helixtrans-61.6-41.4174.8-71.5172.1000111.4V18 C19 R24 V25 A26V18-L22 HydrophobicContact CG1-CD1 4.27Å; V18-L22 WeakPolarHBondContact O-CG 3.29Å; V18-L22 PolarHBondContact O-N 2.79Å; C19-L22 PolarHBondContact O-N 3.14Å; L22-R24 VanDerWaalsContact C-N 3.32Å; L22-R24 PolarHBondContact O-N 2.86Å; L22-V25 PolarHBondContact O-N 3.3Å; L22-A26 PolarHBondContact O-N 3.09Å
23F67.8Low64.4Low34 Ų3477.3 Ų77.315%0.14941%0.405CS..Hα-helixtrans-63.5-39.5175.8-165.8-94.3000111.8C19 S20 L21 V25 A26 H27 V54 G98 Y99 H102C19-F23 WeakPolarHBondContact O-CB 3.39Å; C19-F23 PolarHBondContact O-N 2.87Å; S20-F23 PolarHBondContact O-N 3.31Å; L21-F23 VanDerWaalsContact C-N 3.31Å; L21-F23 PolarHBondContact O-N 2.97Å; F23-V25 VanDerWaalsContact C-N 3.33Å; F23-V25 PolarHBondContact O-N 2.91Å; F23-A26 PolarHBondContact O-N 2.84Å; F23-H27 VanDerWaalsContact O-CB 3.3Å; F23-H27 WeakPolarHBondContact O-CB 3.35Å; F23-H27 PolarHBondContact O-N 3.31Å; F23-V54 HydrophobicContact CE1-CG1 3.85Å; F23-V54 HydrophobicContact CZ-CG1 3.57Å; F23-G98 WeakPolarHBondContact CD1-O 3.33Å; F23-G98 VanDerWaalsContact CG-O 3.29Å; F23-G98 WeakPolarHBondContact CG-O 3.41Å; F23-Y99 HydrophobicContact CE1-CD2 4.08Å; F23-Y99 HydrophobicContact CE2-CD2 4.32Å; F23-Y99 AromaticContact CZ-CD2 3.56Å; F23-Y99 HydrophobicContact CZ-CD2 3.56Å; F23-Y99 HydrophobicContact CZ-CG 4.25Å; F23-H102 HydrophobicContact CD1-CB 4.11Å; F23-H102 AromaticContact CD1-CG 3.97Å; F23-H102 HydrophobicContact CE1-CB 4.32Å
24R67.6Low64.1Low149 Ų14981.9 Ų81.956%0.56243%0.43SS*.Hα-helixtrans-62-39.1175.5-168.7176.2-178-178.30.2112.3S20 L21 L22 H27 Q28S20-R24 WeakPolarHBondContact O-CB 3.23Å; S20-R24 PolarHBondContact O-N 3.23Å; L21-R24 WeakPolarHBondContact O-CB 3.39Å; L21-R24 PolarHBondContact O-N 3.47Å; L22-R24 VanDerWaalsContact C-N 3.32Å; L22-R24 PolarHBondContact O-N 2.86Å; R24-H27 PolarHBondContact O-N 2.98Å; R24-Q28 WeakPolarHBondContact O-CG 3.46Å; R24-Q28 PolarHBondContact O-N 3.09Å
25V65.9Low63.9Low90 Ų9080.2 Ų80.255%0.54542%0.418SS..Hα-helixtrans-67-45.6174.7175.30000110.9L21 L22 F23 H27 Q28 L29L21-V25 WeakPolarHBondContact O-CG2 3.32Å; L21-V25 PolarHBondContact O-N 2.9Å; L22-V25 PolarHBondContact O-N 3.3Å; F23-V25 VanDerWaalsContact C-N 3.33Å; F23-V25 PolarHBondContact O-N 2.91Å; V25-H27 VanDerWaalsContact C-N 3.3Å; V25-H27 PolarHBondContact O-N 3.28Å; V25-Q28 PolarHBondContact O-N 2.94Å; V25-L29 PolarHBondContact O-N 3.18Å
26A64.8Low63.9Low52 Ų5281.7 Ų81.743%0.4343%0.427SS..Hα-helixtrans-60.3-41.1175.700000111.6L22 F23 L29 L30L22-A26 PolarHBondContact O-N 3.09Å; F23-A26 PolarHBondContact O-N 2.84Å; A26-L29 WeakPolarHBondContact O-CB 3.46Å; A26-L29 PolarHBondContact O-N 3.45Å; A26-L30 WeakPolarHBondContact O-CB 3.39Å; A26-L30 PolarHBondContact O-N 2.88Å
27H67.4Low63.6Low10 Ų1085.5 Ų85.55%0.04645%0.451CS..Hα-helixtrans-61.4-47.2174.9-178.1-173.8000111.3F23 R24 V25 L29 L30 Q31 V54 H102F23-H27 VanDerWaalsContact O-CB 3.3Å; F23-H27 WeakPolarHBondContact O-CB 3.35Å; F23-H27 PolarHBondContact O-N 3.31Å; R24-H27 PolarHBondContact O-N 2.98Å; V25-H27 VanDerWaalsContact C-N 3.3Å; V25-H27 PolarHBondContact O-N 3.28Å; H27-L29 PolarHBondContact O-N 2.95Å; H27-L30 PolarHBondContact O-N 3.46Å; H27-L30 VanDerWaalsContact O-N 3.14Å; H27-Q31 PolarHBondContact CE1-NE2 3.31Å; H27-Q31 PolarHBondContact NE2-NE2 3.49Å; H27-Q31 WeakPolarHBondContact O-CG 3.3Å; H27-Q31 PolarHBondContact O-N 2.9Å; H27-V54 WeakPolarHBondContact CD2-CG2 3.4Å; H27-H102 AromaticContact CE1-CE1 3.3Å; H27-H102 PolarHBondContact CE1-CE1 2.87Å; H27-H102 AromaticContact CE1-NE2 3.86Å; H27-H102 AromaticContact ND1-CE1 2.91Å; H27-H102 PolarHBondContact ND1-CE1 2.96Å; H27-H102 AromaticContact ND1-ND1 3.86Å; H27-H102 AromaticContact ND1-NE2 3.09Å; H27-H102 PolarHBondContact ND1-NE2 2.9Å
28Q65.2Low63.2Low110 Ų11083.1 Ų83.151%0.51444%0.44SS..Hα-helixtrans-59.9-36.4175.5-75.4-178.8-7.600112.6R24 V25R24-Q28 WeakPolarHBondContact O-CG 3.46Å; R24-Q28 PolarHBondContact O-N 3.09Å; V25-Q28 PolarHBondContact O-N 2.94Å
29L64.1Low62.8Low121 Ų12179 Ų7963%0.63442%0.416SS*.Hα-helixtrans-67.5-43.1175.5-15182.5000111.2V25 A26 H27 Q31 R32V25-L29 PolarHBondContact O-N 3.18Å; A26-L29 WeakPolarHBondContact O-CB 3.46Å; A26-L29 PolarHBondContact O-N 3.45Å; H27-L29 PolarHBondContact O-N 2.95Å; L29-Q31 VanDerWaalsContact C-N 3.32Å; L29-Q31 PolarHBondContact O-N 3.42Å; L29-R32 WeakPolarHBondContact O-CB 3.35Å; L29-R32 PolarHBondContact O-N 2.7Å; L29-R32 VanDerWaalsContact O-N 3.15Å
30L62Low62.6Low44 Ų4487.3 Ų87.323%0.2344%0.444CS..Hα-helixtrans-67.9-31.4179.1-140.275.1000112.4A26 H27 R32 L33 V54 V57A26-L30 WeakPolarHBondContact O-CB 3.39Å; A26-L30 PolarHBondContact O-N 2.88Å; H27-L30 PolarHBondContact O-N 3.46Å; H27-L30 VanDerWaalsContact O-N 3.14Å; L30-R32 PolarHBondContact O-N 3.47Å; L30-L33 HydrophobicContact CD1-CD1 3.84Å; L30-L33 HydrophobicContact CG-CD1 3.88Å; L30-L33 WeakPolarHBondContact O-CB 3.29Å; L30-L33 WeakPolarHBondContact O-CG 3.47Å; L30-L33 PolarHBondContact O-N 2.71Å; L30-L33 VanDerWaalsContact O-N 3.11Å; L30-V54 HydrophobicContact CB-CG2 4.5Å; L30-V54 HydrophobicContact CD2-CB 4.29Å; L30-V54 HydrophobicContact CD2-CG2 3.77Å; L30-V57 HydrophobicContact CD1-CG2 4.1Å; L30-V57 HydrophobicContact CD2-CB 4.15Å; L30-V57 HydrophobicContact CD2-CG2 3.72Å
31Q61.7Low62.4Low84 Ų8493.7 Ų93.739%0.39347%0.47SS..THydrogen-bonded Turntrans-65.4-15.4173.9-76.1-173.9-1.200113.8H27 L29 L33H27-Q31 PolarHBondContact CE1-NE2 3.31Å; H27-Q31 PolarHBondContact NE2-NE2 3.49Å; H27-Q31 WeakPolarHBondContact O-CG 3.3Å; H27-Q31 PolarHBondContact O-N 2.9Å; L29-Q31 VanDerWaalsContact C-N 3.32Å; L29-Q31 PolarHBondContact O-N 3.42Å; Q31-L33 VanDerWaalsContact C-N 3.33Å
32R61.2Low62.5Low212 Ų21291.2 Ų91.280%0.846%0.457SS*.THydrogen-bonded Turntrans-83.5-6.8174.6-62-175.5178.5-172.5-0.4113.4L29 L30L29-R32 WeakPolarHBondContact O-CB 3.35Å; L29-R32 PolarHBondContact O-N 2.7Å; L29-R32 VanDerWaalsContact O-N 3.15Å; L30-R32 PolarHBondContact O-N 3.47Å
33L61.1Low62.4Low103 Ų10389.8 Ų89.854%0.53946%0.462SS..SBendtrans-66.3143.5177.1-69.9173.9000111.4L30 Q31 V35L30-L33 HydrophobicContact CD1-CD1 3.84Å; L30-L33 HydrophobicContact CG-CD1 3.88Å; L30-L33 WeakPolarHBondContact O-CB 3.29Å; L30-L33 WeakPolarHBondContact O-CG 3.47Å; L30-L33 PolarHBondContact O-N 2.71Å; L30-L33 VanDerWaalsContact O-N 3.11Å; Q31-L33 VanDerWaalsContact C-N 3.33Å; L33-V35 PolarHBondContact O-N 3.18Å
34P56.8Low62.3Low120 Ų12091.9 Ų91.978%0.77947%0.471SS*.PPolyproline II helixtrans-64.4125.1-178.125.2-32.7000110.8
35V61Low62.2Low35 Ų3588.1 Ų88.121%0.21246%0.457CS..PPolyproline II helixtrans-86133.9176.4-177.30000108.9L33 T37 V39 K50L33-V35 PolarHBondContact O-N 3.18Å; V35-T37 PolarHBondContact O-N 3.47Å; V35-V39 HydrophobicContact CG1-CB 4.06Å; V35-V39 HydrophobicContact CG1-CG1 3.97Å; V35-K50 HydrophobicContact CG2-CG 4.5Å
36P61.2Low62.3Low44 Ų4485 Ų8529%0.28644%0.439SS..PPolyproline II helixtrans-54.6137.2176.3-24.432.6000111.9V38 V39 R40 W49P36-V38 PolarHBondContact O-N 2.93Å; P36-V38 VanDerWaalsContact O-N 3.15Å; P36-V39 HydrophobicContact CB-CB 4.5Å; P36-V39 HydrophobicContact CB-CG2 4.25Å; P36-V39 WeakPolarHBondContact O-CB 3.4Å; P36-V39 PolarHBondContact O-N 3.42Å; P36-R40 PolarHBondContact O-N 3.33Å; P36-R40 VanDerWaalsContact O-N 3.14Å; P36-W49 HydrophobicContact CG-CH2 3.82Å; P36-W49 HydrophobicContact CG-CZ2 3.57Å; P36-W49 HydrophobicContact CG-CZ3 4.37Å
37T55.7Low62.5Low112 Ų11285 Ų8569%0.68743%0.428SS*.THydrogen-bonded Turntrans-55.6-33.9-177.541.60000113.3V35 V39 R40V35-T37 PolarHBondContact O-N 3.47Å; T37-V39 VanDerWaalsContact C-N 3.27Å; T37-V39 PolarHBondContact O-N 3.11Å; T37-R40 WeakPolarHBondContact O-CB 3.45Å; T37-R40 PolarHBondContact O-N 3.37Å
38V57.3Low62.6Low63 Ų6386.5 Ų86.538%0.38243%0.434SS..THydrogen-bonded Turntrans-65.8-28.3176.7-171.60000112.7P36P36-V38 PolarHBondContact O-N 2.93Å; P36-V38 VanDerWaalsContact O-N 3.15Å
39V58.6Low62.9Low0 Ų083.1 Ų83.10%042%0.417CS..THydrogen-bonded Turntrans-91.8-21.7-178.6177.30000111.4V35 P36 T37 Q41 R45 S46 W49V35-V39 HydrophobicContact CG1-CB 4.06Å; V35-V39 HydrophobicContact CG1-CG1 3.97Å; P36-V39 HydrophobicContact CB-CB 4.5Å; P36-V39 HydrophobicContact CB-CG2 4.25Å; P36-V39 WeakPolarHBondContact O-CB 3.4Å; P36-V39 PolarHBondContact O-N 3.42Å; T37-V39 VanDerWaalsContact C-N 3.27Å; T37-V39 PolarHBondContact O-N 3.11Å; V39-Q41 PolarHBondContact O-N 3.2Å; V39-R45 VanDerWaalsContact CG1-C 3.49Å; V39-R45 HydrophobicContact CG1-CB 4.01Å; V39-R45 VanDerWaalsContact CG1-O 3.29Å; V39-R45 WeakPolarHBondContact CG1-O 3.43Å; V39-S46 PolarHBondContact O-N 3.06Å; V39-W49 HydrophobicContact CG1-CB 3.73Å; V39-W49 HydrophobicContact CG1-CG 4.2Å; V39-W49 HydrophobicContact CG2-CE3 4.05Å; V39-W49 HydrophobicContact CG2-CZ3 4.46Å
40R59.4Low63.3Low195 Ų19580.7 Ų80.774%0.73640%0.401SS*.THydrogen-bonded Turntrans-68.7-16.7177.1-157.5176.1-166.4176.54.1113.8P36 T37 D42P36-R40 PolarHBondContact O-N 3.33Å; P36-R40 VanDerWaalsContact O-N 3.14Å; T37-R40 WeakPolarHBondContact O-CB 3.45Å; T37-R40 PolarHBondContact O-N 3.37Å; R40-D42 VanDerWaalsContact C-N 3.35Å
41Q59Low63.8Low168 Ų16879.5 Ų79.579%0.78540%0.395SS*.THydrogen-bonded Turntrans-73.6-22.3-177.2-66.5-178.6-9.100113.9V39V39-Q41 PolarHBondContact O-N 3.2Å
42D67.1Low64.3Low55 Ų5576 Ų7629%0.29438%0.379SS..  trans-126.8119.7177.4-173.3-10.9000109.2R40 F44 R45 S46R40-D42 VanDerWaalsContact C-N 3.35Å; D42-F44 PolarHBondContact O-N 3.22Å; D42-F44 VanDerWaalsContact O-N 3.14Å; D42-F44 WeakPolarHBondContact OD1-CB 3.4Å; D42-F44 PolarHBondContact OD1-N 2.93Å; D42-R45 HydrophobicContact CB-CB 4.11Å; D42-R45 HydrophobicContact CB-CG 3.98Å; D42-R45 PolarHBondContact O-N 2.75Å; D42-S46 PolarHBondContact O-N 3.32Å
43A65.9Low64.9Low85 Ų8566.9 Ų66.970%0.70235%0.348SS*.Hα-helixtrans-54.2-34.2179.300000111.8W47A43-W47 PolarHBondContact O-N 3.22Å
44F64.6Low65.5Low77 Ų7762.3 Ų62.334%0.33832%0.324SS..Hα-helixtrans-69.6-43.4176.9179.7-107.3000112.6D42 S46 W47 K48 H112D42-F44 PolarHBondContact O-N 3.22Å; D42-F44 VanDerWaalsContact O-N 3.14Å; D42-F44 WeakPolarHBondContact OD1-CB 3.4Å; D42-F44 PolarHBondContact OD1-N 2.93Å; F44-S46 VanDerWaalsContact C-N 3.33Å; F44-W47 HydrophobicContact CE2-CE3 4.42Å; F44-W47 HydrophobicContact CE2-CZ3 4.47Å; F44-W47 PolarHBondContact O-N 3Å; F44-K48 WeakPolarHBondContact O-CB 3.42Å; F44-K48 PolarHBondContact O-N 3.42Å; F44-H112 AromaticContact CD2-CD2 3.83Å; F44-H112 AromaticContact CD2-NE2 3.4Å; F44-H112 WeakPolarHBondContact CD2-NE2 3.14Å; F44-H112 AromaticContact CE2-CD2 3.46Å; F44-H112 VanDerWaalsContact CE2-CD2 3.46Å; F44-H112 WeakPolarHBondContact CE2-CD2 3.23Å; F44-H112 AromaticContact CE2-NE2 3.57Å
45R65.3Low66.5Low71 Ų7156.9 Ų56.927%0.26829%0.289SS..Hα-helixtrans-67.3-36.9176.8-66.717678.4-176.37.6111V39 D42 K48 W49 L164V39-R45 VanDerWaalsContact CG1-C 3.49Å; V39-R45 HydrophobicContact CG1-CB 4.01Å; V39-R45 VanDerWaalsContact CG1-O 3.29Å; V39-R45 WeakPolarHBondContact CG1-O 3.43Å; D42-R45 HydrophobicContact CB-CB 4.11Å; D42-R45 HydrophobicContact CB-CG 3.98Å; D42-R45 PolarHBondContact O-N 2.75Å; R45-K48 PolarHBondContact O-N 3.45Å; R45-W49 WeakPolarHBondContact O-CB 3.28Å; R45-W49 PolarHBondContact O-N 3.42Å; R45-L164 PolarHBondContact NH2-O 2.76Å
46S68.6Low67.3Low23 Ų2357.4 Ų57.416%0.16129%0.29CS..Hα-helixtrans-65.9-41.5175.4-173.70000112.6V39 D42 F44 K50V39-S46 PolarHBondContact O-N 3.06Å; D42-S46 PolarHBondContact O-N 3.32Å; F44-S46 VanDerWaalsContact C-N 3.33Å; S46-K50 WeakPolarHBondContact O-CG 3.05Å; S46-K50 PolarHBondContact O-N 2.92Å
47W68.9Low68Low52 Ų5258.9 Ų58.920%0.19730%0.298CS..Hα-helixtrans-63.8-48.2173.4173.480.2000110.8A43 F44 W49 K50 N51 D106 I107 T110 H112A43-W47 PolarHBondContact O-N 3.22Å; F44-W47 HydrophobicContact CE2-CE3 4.42Å; F44-W47 HydrophobicContact CE2-CZ3 4.47Å; F44-W47 PolarHBondContact O-N 3Å; W47-W49 VanDerWaalsContact C-N 3.29Å; W47-W49 PolarHBondContact O-N 3.26Å; W47-K50 PolarHBondContact O-N 3.37Å; W47-K50 VanDerWaalsContact O-N 3.09Å; W47-N51 PolarHBondContact O-N 3.45Å; W47-D106 PolarHBondContact NE1-OD2 2.97Å; W47-I107 HydrophobicContact CH2-CG1 4.38Å; W47-T110 HydrophobicContact CZ2-CG2 4.28Å; W47-T110 WeakPolarHBondContact CZ2-OG1 3.26Å; W47-H112 HydrophobicContact CH2-CB 4.26Å; W47-H112 HydrophobicContact CZ3-CB 4.41Å; W47-H112 AromaticContact CZ3-ND1 3.98Å
48K70.8Confident69.2Low43 Ų4353.8 Ų53.819%0.18727%0.266CS..Hα-helixtrans-58.3-40.2178.8-171.3171.7-179.8171.20112.2F44 R45 L52 L164 D259F44-K48 WeakPolarHBondContact O-CB 3.42Å; F44-K48 PolarHBondContact O-N 3.42Å; R45-K48 PolarHBondContact O-N 3.45Å; K48-L52 WeakPolarHBondContact O-CB 3.02Å; K48-L52 PolarHBondContact O-N 3.25Å; K48-L164 HydrophobicContact CD-CD1 4.13Å; K48-L164 HydrophobicContact CD-CD2 4.32Å; K48-L164 HydrophobicContact CG-CD1 4Å; K48-D259 IonicContact NZ-OD2 3.89Å
49W71.5Confident70.3Confident38 Ų3850.8 Ų50.814%0.14425%0.248CC..Hα-helixtrans-63.3-44175.9-179.4-82.8000112.7P36 V39 R45 W47 L52 S53 M161 L164 A165P36-W49 HydrophobicContact CG-CH2 3.82Å; P36-W49 HydrophobicContact CG-CZ2 3.57Å; P36-W49 HydrophobicContact CG-CZ3 4.37Å; V39-W49 HydrophobicContact CG1-CB 3.73Å; V39-W49 HydrophobicContact CG1-CG 4.2Å; V39-W49 HydrophobicContact CG2-CE3 4.05Å; V39-W49 HydrophobicContact CG2-CZ3 4.46Å; R45-W49 WeakPolarHBondContact O-CB 3.28Å; R45-W49 PolarHBondContact O-N 3.42Å; W47-W49 VanDerWaalsContact C-N 3.29Å; W47-W49 PolarHBondContact O-N 3.26Å; W49-L52 PolarHBondContact O-N 2.91Å; W49-S53 WeakPolarHBondContact O-CB 3.39Å; W49-S53 PolarHBondContact O-N 2.97Å; W49-S53 PolarHBondContact O-OG 3.3Å; W49-M161 HydrophobicContact CD2-CE 4.08Å; W49-M161 HydrophobicContact CE3-CB 4.4Å; W49-M161 HydrophobicContact CE3-CE 4.37Å; W49-M161 HydrophobicContact CE3-CG 4.46Å; W49-M161 HydrophobicContact CH2-CB 4.05Å; W49-M161 HydrophobicContact CH2-CE 3.63Å; W49-M161 HydrophobicContact CZ2-CE 3.26Å; W49-M161 HydrophobicContact CZ3-CB 3.81Å; W49-M161 HydrophobicContact CZ3-CE 4.17Å; W49-M161 HydrophobicContact CZ3-CG 4.29Å; W49-M161 WeakPolarHBondContact CZ3-O 3.08Å; W49-L164 HydrophobicContact CE3-CB 4.22Å; W49-L164 HydrophobicContact CZ3-CB 4.47Å; W49-A165 HydrophobicContact CH2-CB 4.47Å; W49-A165 HydrophobicContact CZ3-CB 4.15Å
50K71.3Confident71.4Confident70 Ų7053.8 Ų53.830%0.30427%0.266SS..Hα-helixtrans-63.7-48.1178-72.9179.7179-1700111V35 S46 W47 L52 S53 V54V35-K50 HydrophobicContact CG2-CG 4.5Å; S46-K50 WeakPolarHBondContact O-CG 3.05Å; S46-K50 PolarHBondContact O-N 2.92Å; W47-K50 PolarHBondContact O-N 3.37Å; W47-K50 VanDerWaalsContact O-N 3.09Å; K50-L52 VanDerWaalsContact C-N 3.32Å; K50-L52 PolarHBondContact O-N 3.03Å; K50-S53 PolarHBondContact O-N 3.24Å; K50-V54 WeakPolarHBondContact O-CG2 3.36Å; K50-V54 PolarHBondContact O-N 3.22Å; K50-V54 VanDerWaalsContact O-N 3.11Å
51N73.4Confident72.5Confident19 Ų1948.7 Ų48.710%0.10225%0.253CS..Hα-helixtrans-60.9-45.8178.6-157.448.6000111.1W47 S53 V54 S55 D103W47-N51 PolarHBondContact O-N 3.45Å; N51-S53 VanDerWaalsContact C-N 3.29Å; N51-S53 PolarHBondContact O-N 2.9Å; N51-V54 WeakPolarHBondContact O-CB 3.43Å; N51-V54 PolarHBondContact O-N 2.92Å; N51-V54 VanDerWaalsContact O-N 3.09Å; N51-S55 PolarHBondContact O-N 3.43Å; N51-S55 PolarHBondContact O-OG 2.96Å; N51-D103 PolarHBondContact ND2-OD1 3.38Å; N51-D103 PolarHBondContact OD1-OD1 3.04Å
52L72.3Confident73.6Confident11 Ų1140.7 Ų40.76%0.05822%0.215CC..Hα-helixtrans-63.2-33.1178.8-169.562.5000113.6K48 W49 K50 M56 H157 L160 M161 L164K48-L52 WeakPolarHBondContact O-CB 3.02Å; K48-L52 PolarHBondContact O-N 3.25Å; W49-L52 PolarHBondContact O-N 2.91Å; K50-L52 VanDerWaalsContact C-N 3.32Å; K50-L52 PolarHBondContact O-N 3.03Å; L52-M56 VanDerWaalsContact O-CB 3.32Å; L52-M56 WeakPolarHBondContact O-CB 3.48Å; L52-M56 PolarHBondContact O-N 3.37Å; L52-H157 HydrophobicContact CD1-CB 3.83Å; L52-H157 WeakPolarHBondContact CD1-ND1 3.49Å; L52-H157 HydrophobicContact CG-CB 4.35Å; L52-L160 HydrophobicContact CD1-CB 4.49Å; L52-L160 HydrophobicContact CD1-CD2 3.87Å; L52-L160 HydrophobicContact CD1-CG 4.5Å; L52-L160 HydrophobicContact CD2-CB 3.75Å; L52-L160 HydrophobicContact CD2-CD2 3.77Å; L52-L160 HydrophobicContact CD2-CG 3.59Å; L52-M161 HydrophobicContact CB-CG 4.47Å; L52-M161 HydrophobicContact CD2-CB 4.26Å; L52-M161 HydrophobicContact CD2-CG 3.34Å; L52-M161 HydrophobicContact CG-CG 3.72Å; L52-M161 HydrophobicContact CG-SD 4.43Å; L52-L164 HydrophobicContact CD2-CD1 4.02Å
53S73.6Confident74.3Confident21 Ų2138.1 Ų38.115%0.14720%0.202CC..Hα-helixtrans-68.6-38.9175-57.60000111.2W49 K50 N51 M56 V57 M161W49-S53 WeakPolarHBondContact O-CB 3.39Å; W49-S53 PolarHBondContact O-N 2.97Å; W49-S53 PolarHBondContact O-OG 3.3Å; K50-S53 PolarHBondContact O-N 3.24Å; N51-S53 VanDerWaalsContact C-N 3.29Å; N51-S53 PolarHBondContact O-N 2.9Å; S53-M56 PolarHBondContact O-N 3.09Å; S53-V57 WeakPolarHBondContact O-CG2 3.38Å; S53-V57 PolarHBondContact O-N 3.11Å; S53-M161 WeakPolarHBondContact OG-CE 3.48Å
54V73.4Confident75.1Confident7 Ų738 Ų384%0.04219%0.193CC..Hα-helixtrans-66.2-46.2175.1175.80000110.4F23 H27 L30 K50 N51 M56 V57 H58 Y99F23-V54 HydrophobicContact CE1-CG1 3.85Å; F23-V54 HydrophobicContact CZ-CG1 3.57Å; H27-V54 WeakPolarHBondContact CD2-CG2 3.4Å; L30-V54 HydrophobicContact CB-CG2 4.5Å; L30-V54 HydrophobicContact CD2-CB 4.29Å; L30-V54 HydrophobicContact CD2-CG2 3.77Å; K50-V54 WeakPolarHBondContact O-CG2 3.36Å; K50-V54 PolarHBondContact O-N 3.22Å; K50-V54 VanDerWaalsContact O-N 3.11Å; N51-V54 WeakPolarHBondContact O-CB 3.43Å; N51-V54 PolarHBondContact O-N 2.92Å; N51-V54 VanDerWaalsContact O-N 3.09Å; V54-M56 VanDerWaalsContact C-N 3.29Å; V54-M56 PolarHBondContact O-N 2.88Å; V54-V57 PolarHBondContact O-N 2.71Å; V54-H58 WeakPolarHBondContact O-CB 3.29Å; V54-H58 PolarHBondContact O-N 2.83Å; V54-Y99 HydrophobicContact CG1-CE2 4.43Å
55S76.7Confident76Confident5 Ų537.6 Ų37.64%0.03519%0.189CC..Hα-helixtrans-56.7-42.9172.6-51.20000112N51 H58 S59 Y99N51-S55 PolarHBondContact O-N 3.43Å; N51-S55 PolarHBondContact O-OG 2.96Å; S55-H58 WeakPolarHBondContact O-CB 3.47Å; S55-H58 PolarHBondContact O-N 3.24Å; S55-S59 WeakPolarHBondContact O-CB 3.49Å; S55-S59 PolarHBondContact O-N 3.22Å; S55-S59 PolarHBondContact O-OG 2.93Å; S55-S59 VanDerWaalsContact O-OG 3.06Å; S55-Y99 WeakPolarHBondContact CA-OH 3.07Å; S55-Y99 WeakPolarHBondContact CB-OH 3.33Å; S55-Y99 PolarHBondContact OG-OH 3.43Å
56M77.8Confident76.8Confident46 Ų4634.2 Ų34.223%0.22718%0.177CC..Hα-helixtrans-63.3-46.7178.4-174.4-179.7179.700112.2L52 S53 V54 H58 S59 V60 H157 L158 M161L52-M56 VanDerWaalsContact O-CB 3.32Å; L52-M56 WeakPolarHBondContact O-CB 3.48Å; L52-M56 PolarHBondContact O-N 3.37Å; S53-M56 PolarHBondContact O-N 3.09Å; V54-M56 VanDerWaalsContact C-N 3.29Å; V54-M56 PolarHBondContact O-N 2.88Å; M56-H58 VanDerWaalsContact C-N 3.28Å; M56-H58 PolarHBondContact O-N 3.02Å; M56-S59 PolarHBondContact O-N 3.48Å; M56-V60 VanDerWaalsContact O-CG2 3.31Å; M56-V60 WeakPolarHBondContact O-CG2 3.26Å; M56-V60 PolarHBondContact O-N 3.02Å; M56-H157 HydrophobicContact CB-CB 4.11Å; M56-H157 HydrophobicContact CG-CB 4.45Å; M56-L158 HydrophobicContact CE-CB 4.26Å; M56-L158 HydrophobicContact CE-CD1 4.2Å; M56-M161 HydrophobicContact SD-SD 3.71Å
57V76.8Confident77.5Confident75 Ų7536 Ų3646%0.45518%0.184SC..Hα-helixtrans-62.2-40.6176.9170.70000110.9L30 S53 V54 V60 L61L30-V57 HydrophobicContact CD1-CG2 4.1Å; L30-V57 HydrophobicContact CD2-CB 4.15Å; L30-V57 HydrophobicContact CD2-CG2 3.72Å; S53-V57 WeakPolarHBondContact O-CG2 3.38Å; S53-V57 PolarHBondContact O-N 3.11Å; V54-V57 PolarHBondContact O-N 2.71Å; V57-V60 PolarHBondContact O-N 3.08Å; V57-L61 WeakPolarHBondContact O-CB 3.22Å; V57-L61 PolarHBondContact O-N 3.35Å
58H81.1Confident78.1Confident6 Ų636.7 Ų36.73%0.02819%0.194CC..Hα-helixtrans-59.3-55.5174.1175.374.2000111.6V54 S55 M56 V60 L61 T62 Y99V54-H58 WeakPolarHBondContact O-CB 3.29Å; V54-H58 PolarHBondContact O-N 2.83Å; S55-H58 WeakPolarHBondContact O-CB 3.47Å; S55-H58 PolarHBondContact O-N 3.24Å; M56-H58 VanDerWaalsContact C-N 3.28Å; M56-H58 PolarHBondContact O-N 3.02Å; H58-V60 VanDerWaalsContact C-N 3.26Å; H58-V60 PolarHBondContact O-N 3.27Å; H58-L61 PolarHBondContact O-N 3.34Å; H58-L61 VanDerWaalsContact O-N 3.07Å; H58-T62 WeakPolarHBondContact CE1-CG2 3.44Å; H58-T62 PolarHBondContact O-N 3.08Å; H58-T62 PolarHBondContact O-OG1 2.77Å; H58-Y99 HydrophobicContact CB-CD1 4.25Å; H58-Y99 HydrophobicContact CB-CD2 3.6Å; H58-Y99 HydrophobicContact CB-CE1 4.47Å; H58-Y99 HydrophobicContact CB-CE2 3.85Å; H58-Y99 HydrophobicContact CB-CG 3.8Å; H58-Y99 AromaticContact CD2-CD1 3.09Å; H58-Y99 WeakPolarHBondContact CD2-CD1 3.48Å; H58-Y99 AromaticContact CD2-CE1 3.41Å; H58-Y99 VanDerWaalsContact CD2-CE1 3.41Å; H58-Y99 WeakPolarHBondContact CD2-CE1 3.35Å; H58-Y99 AromaticContact CD2-CG 3.46Å; H58-Y99 VanDerWaalsContact CD2-CG 3.46Å; H58-Y99 WeakPolarHBondContact CE1-CB 3.03Å; H58-Y99 AromaticContact CE1-CD1 3.6Å; H58-Y99 AromaticContact CE1-CG 3.61Å; H58-Y99 AromaticContact CG-CD1 3.43Å; H58-Y99 VanDerWaalsContact CG-CD1 3.43Å; H58-Y99 AromaticContact CG-CD2 3.61Å; H58-Y99 AromaticContact CG-CE1 3.94Å; H58-Y99 AromaticContact CG-CG 3.23Å; H58-Y99 WeakPolarHBondContact ND1-CB 3.33Å; H58-Y99 AromaticContact ND1-CD1 3.77Å; H58-Y99 AromaticContact ND1-CG 3.37Å; H58-Y99 AromaticContact NE2-CD1 3.23Å; H58-Y99 WeakPolarHBondContact NE2-CD1 3.32Å; H58-Y99 AromaticContact NE2-CE1 3.91Å; H58-Y99 AromaticContact NE2-CG 3.71Å
59S81.2Confident78.4Confident0 Ų034.7 Ų34.70%019%0.185CC..Hα-helixtrans-60.1-34.1-178.3-60.20000112.9S55 M56 G63 E150 S153 V154S55-S59 WeakPolarHBondContact O-CB 3.49Å; S55-S59 PolarHBondContact O-N 3.22Å; S55-S59 PolarHBondContact O-OG 2.93Å; S55-S59 VanDerWaalsContact O-OG 3.06Å; M56-S59 PolarHBondContact O-N 3.48Å; S59-G63 WeakPolarHBondContact O-CA 3.41Å; S59-G63 PolarHBondContact O-N 3.2Å; S59-E150 VanDerWaalsContact CB-OE2 3.28Å; S59-E150 WeakPolarHBondContact CB-OE2 3.48Å; S59-E150 PolarHBondContact OG-OE2 2.91Å; S59-S153 WeakPolarHBondContact OG-CB 3.47Å; S59-V154 VanDerWaalsContact C-CG2 3.49Å
60V81.6Confident78.7Confident63 Ų6333.5 Ų33.538%0.38218%0.183SC..Hα-helixtrans-66.1-50.2173.6170.50000110.1M56 V57 H58 T64 V154M56-V60 VanDerWaalsContact O-CG2 3.31Å; M56-V60 WeakPolarHBondContact O-CG2 3.26Å; M56-V60 PolarHBondContact O-N 3.02Å; V57-V60 PolarHBondContact O-N 3.08Å; H58-V60 VanDerWaalsContact C-N 3.26Å; H58-V60 PolarHBondContact O-N 3.27Å; V60-T64 VanDerWaalsContact O-CB 3.29Å; V60-T64 WeakPolarHBondContact O-CB 3.19Å; V60-T64 PolarHBondContact O-N 3.4Å; V60-T64 PolarHBondContact O-OG1 3.05Å; V60-V154 HydrophobicContact CB-CG2 4.34Å; V60-V154 HydrophobicContact CG2-CB 4.36Å; V60-V154 HydrophobicContact CG2-CG1 3.72Å; V60-V154 HydrophobicContact CG2-CG2 3.63Å
61L81.7Confident79.1Confident87 Ų8735.9 Ų35.946%0.45520%0.204SC..Hα-helixtrans-63.3-47.5-178-174.5142.9000111.5V57 H58 W65V57-L61 WeakPolarHBondContact O-CB 3.22Å; V57-L61 PolarHBondContact O-N 3.35Å; H58-L61 PolarHBondContact O-N 3.34Å; H58-L61 VanDerWaalsContact O-N 3.07Å; L61-W65 HydrophobicContact CD2-CE3 3.92Å; L61-W65 HydrophobicContact CD2-CZ3 4.26Å; L61-W65 WeakPolarHBondContact O-CB 3.49Å; L61-W65 PolarHBondContact O-N 3.28Å
62T82.3Confident79.2Confident0 Ų039.4 Ų39.40%022%0.221CC..Hα-helixtrans-75.5-38.5-17855.10000112.8H58 W65 A66 L91 S95H58-T62 WeakPolarHBondContact CE1-CG2 3.44Å; H58-T62 PolarHBondContact O-N 3.08Å; H58-T62 PolarHBondContact O-OG1 2.77Å; T62-W65 PolarHBondContact O-N 3.4Å; T62-A66 VanDerWaalsContact O-CB 3.22Å; T62-A66 WeakPolarHBondContact O-CB 3.43Å; T62-A66 PolarHBondContact O-N 3.48Å; T62-L91 HydrophobicContact CG2-CD1 3.97Å; T62-S95 VanDerWaalsContact CG2-OG 3.26Å; T62-S95 WeakPolarHBondContact CG2-OG 3.06Å
63G81.8Confident79.1Confident2 Ų242.3 Ų42.32%0.02123%0.232CC..Hα-helixtrans-62.8-49.2175.300000112.1S59 A66 L67S59-G63 WeakPolarHBondContact O-CA 3.41Å; S59-G63 PolarHBondContact O-N 3.2Å; G63-A66 PolarHBondContact O-N 3.4Å; G63-L67 WeakPolarHBondContact O-CG 3.47Å; G63-L67 PolarHBondContact O-N 3.08Å
64T83.2Confident78.9Confident82 Ų8245.3 Ų45.350%0.50325%0.251SS..Hα-helixtrans-63.9-44.1177.3-59.40000111.3V60 A66 L67 T68V60-T64 VanDerWaalsContact O-CB 3.29Å; V60-T64 WeakPolarHBondContact O-CB 3.19Å; V60-T64 PolarHBondContact O-N 3.4Å; V60-T64 PolarHBondContact O-OG1 3.05Å; T64-A66 PolarHBondContact O-N 2.97Å; T64-L67 PolarHBondContact O-N 3.15Å; T64-T68 PolarHBondContact O-N 2.79Å; T64-T68 PolarHBondContact O-OG1 3.09Å
65W83.2Confident78.5Confident69 Ų6950.2 Ų50.226%0.26127%0.273SS..Hα-helixtrans-63.7-41.5178.6-162.2-19000111.8L61 T62 L67 T68 C69 L87 L90 L91L61-W65 HydrophobicContact CD2-CE3 3.92Å; L61-W65 HydrophobicContact CD2-CZ3 4.26Å; L61-W65 WeakPolarHBondContact O-CB 3.49Å; L61-W65 PolarHBondContact O-N 3.28Å; T62-W65 PolarHBondContact O-N 3.4Å; W65-L67 PolarHBondContact O-N 2.9Å; W65-T68 PolarHBondContact O-N 3.38Å; W65-C69 VanDerWaalsContact CD1-SG 3.51Å; W65-C69 WeakPolarHBondContact O-CB 3.28Å; W65-C69 PolarHBondContact O-N 3.07Å; W65-C69 PolarHBondContact O-SG 3.35Å; W65-L87 HydrophobicContact CZ2-CD2 4.42Å; W65-L90 HydrophobicContact CH2-CD2 3.55Å; W65-L90 HydrophobicContact CZ2-CD2 3.77Å; W65-L91 HydrophobicContact CB-CD1 3.83Å; W65-L91 HydrophobicContact CB-CD2 4.09Å; W65-L91 HydrophobicContact CD2-CB 4.22Å; W65-L91 HydrophobicContact CD2-CD1 3.86Å; W65-L91 HydrophobicContact CD2-CG 4.47Å; W65-L91 HydrophobicContact CE3-CD1 3.9Å; W65-L91 HydrophobicContact CG-CB 4.37Å; W65-L91 HydrophobicContact CG-CD1 3.84Å; W65-L91 HydrophobicContact CG-CD2 4.02Å; W65-L91 HydrophobicContact CG-CG 4.3Å
66A82.2Confident77.8Confident0 Ų050 Ų500%027%0.272CS..Hα-helixtrans-61.2-44.5176.900000111.6T62 G63 T64 C69 A70 L91 L144 L147 F148T62-A66 VanDerWaalsContact O-CB 3.22Å; T62-A66 WeakPolarHBondContact O-CB 3.43Å; T62-A66 PolarHBondContact O-N 3.48Å; G63-A66 PolarHBondContact O-N 3.4Å; T64-A66 PolarHBondContact O-N 2.97Å; A66-C69 PolarHBondContact O-N 2.84Å; A66-A70 PolarHBondContact O-N 3.42Å; A66-L91 HydrophobicContact CB-CD2 4.07Å; A66-L144 HydrophobicContact CB-CD1 4.05Å; A66-L147 HydrophobicContact CB-CB 4.21Å; A66-F148 HydrophobicContact CB-CD1 3.74Å; A66-F148 HydrophobicContact CB-CE1 3.9Å
67L83.3Confident77Confident60 Ų6051.4 Ų51.431%0.31428%0.28SS..Hα-helixtrans-61.9-44.7174.9-69.8175.3000111.9G63 T64 W65 C69 A70 V71 V151 F187G63-L67 WeakPolarHBondContact O-CG 3.47Å; G63-L67 PolarHBondContact O-N 3.08Å; T64-L67 PolarHBondContact O-N 3.15Å; W65-L67 PolarHBondContact O-N 2.9Å; L67-C69 VanDerWaalsContact C-N 3.34Å; L67-C69 PolarHBondContact O-N 3.42Å; L67-A70 PolarHBondContact O-N 3.47Å; L67-V71 WeakPolarHBondContact O-CG2 3.38Å; L67-V71 PolarHBondContact O-N 3.16Å; L67-V151 HydrophobicContact CD1-CG2 3.84Å; L67-V151 HydrophobicContact CD2-CG2 4.44Å; L67-V151 HydrophobicContact CG-CG2 4.04Å; L67-F187 HydrophobicContact CD2-CE1 3.9Å
68T81.1Confident76.2Confident66 Ų6651.5 Ų51.541%0.40528%0.284SS..Hα-helixtrans-60.3-43.7176.6-57.80000111.5T64 W65 A70 V71 I72T64-T68 PolarHBondContact O-N 2.79Å; T64-T68 PolarHBondContact O-OG1 3.09Å; W65-T68 PolarHBondContact O-N 3.38Å; T68-A70 VanDerWaalsContact C-N 3.3Å; T68-A70 PolarHBondContact O-N 3.38Å; T68-V71 PolarHBondContact O-N 2.98Å; T68-I72 HydrophobicContact CG2-CD1 3.53Å; T68-I72 HydrophobicContact CG2-CG1 4.29Å; T68-I72 WeakPolarHBondContact O-CB 3.31Å; T68-I72 VanDerWaalsContact O-CG1 3.23Å; T68-I72 WeakPolarHBondContact O-CG1 3.32Å; T68-I72 PolarHBondContact O-N 3.17Å
69C77.9Confident75.3Confident1 Ų155.7 Ų55.71%0.00731%0.306CS..Hα-helixtrans-61.2-38.4175.7-76.60000112.4W65 A66 L67 W73 L144W65-C69 VanDerWaalsContact CD1-SG 3.51Å; W65-C69 WeakPolarHBondContact O-CB 3.28Å; W65-C69 PolarHBondContact O-N 3.07Å; W65-C69 PolarHBondContact O-SG 3.35Å; A66-C69 PolarHBondContact O-N 2.84Å; L67-C69 VanDerWaalsContact C-N 3.34Å; L67-C69 PolarHBondContact O-N 3.42Å; C69-W73 PolarHBondContact O-N 3.06Å; C69-L144 HydrophobicContact CB-CD1 3.96Å; C69-L144 HydrophobicContact CB-CD2 3.91Å
70A77.1Confident74.5Confident13 Ų1356 Ų5611%0.10731%0.308CS..Hα-helixtrans-74.1-35.2-179.800000113.4A66 L67 T68 W73 F148A66-A70 PolarHBondContact O-N 3.42Å; L67-A70 PolarHBondContact O-N 3.47Å; T68-A70 VanDerWaalsContact C-N 3.3Å; T68-A70 PolarHBondContact O-N 3.38Å; A70-W73 CarbonylContact O-C 3.49Å; A70-F148 HydrophobicContact CB-CE1 4.02Å; A70-F148 HydrophobicContact CB-CZ 3.47Å; A70-F148 VanDerWaalsContact CB-CZ 3.47Å
71V79.1Confident73.2Confident120 Ų12055.5 Ų55.573%0.72730%0.301SS*.Hα-helixtrans-71.1-41.3176.3172.20000111.2L67 T68L67-V71 WeakPolarHBondContact O-CG2 3.38Å; L67-V71 PolarHBondContact O-N 3.16Å; T68-V71 PolarHBondContact O-N 2.98Å
72I76.3Confident72.1Confident93 Ų9360.4 Ų60.448%0.47732%0.319SS..Hα-helixtrans-75.4-36.2-178.8-61.3171.8000111.1T68T68-I72 HydrophobicContact CG2-CD1 3.53Å; T68-I72 HydrophobicContact CG2-CG1 4.29Å; T68-I72 WeakPolarHBondContact O-CB 3.31Å; T68-I72 VanDerWaalsContact O-CG1 3.23Å; T68-I72 WeakPolarHBondContact O-CG1 3.32Å; T68-I72 PolarHBondContact O-N 3.17Å
73W70.6Confident70.9Confident73 Ų7362.3 Ų62.328%0.27733%0.327SS..  trans-12580.6179.8-63.8-79.9000111.5C69 A70 E75 T76 F83 N85 L87C69-W73 PolarHBondContact O-N 3.06Å; A70-W73 CarbonylContact O-C 3.49Å; W73-E75 PolarHBondContact O-N 3.22Å; W73-E75 VanDerWaalsContact O-N 3.12Å; W73-T76 HydrophobicContact CB-CG2 3.95Å; W73-T76 WeakPolarHBondContact O-CB 3.43Å; W73-T76 VanDerWaalsContact O-CG2 3.28Å; W73-T76 WeakPolarHBondContact O-CG2 3.33Å; W73-T76 PolarHBondContact O-N 2.95Å; W73-T76 PolarHBondContact O-OG1 3.31Å; W73-F83 HydrophobicContact CB-CE1 3.95Å; W73-F83 HydrophobicContact CB-CZ 3.93Å; W73-F83 AromaticContact CD1-CZ 3.81Å; W73-F83 HydrophobicContact CG-CE1 4.28Å; W73-F83 HydrophobicContact CG-CZ 4Å; W73-N85 VanDerWaalsContact CE2-ND2 3.29Å; W73-N85 VanDerWaalsContact CH2-ND2 3.27Å; W73-N85 WeakPolarHBondContact CH2-ND2 3.37Å; W73-N85 WeakPolarHBondContact CZ2-ND2 3.09Å; W73-N85 WeakPolarHBondContact CZ3-ND2 3.14Å; W73-L87 HydrophobicContact CH2-CD1 3.57Å; W73-L87 HydrophobicContact CH2-CG 4.45Å; W73-L87 HydrophobicContact CZ3-CD1 3.77Å
74P67.9Low69.7Low84 Ų8467.3 Ų67.355%0.54535%0.35SS..G310 helixtrans-63-20178.126.2-34.5000112.7T76 L77P74-T76 PolarHBondContact O-N 3.45Å; P74-T76 VanDerWaalsContact O-N 3.14Å; P74-L77 WeakPolarHBondContact O-CB 3.4Å; P74-L77 PolarHBondContact O-N 3.02Å
75E65.6Low68.9Low109 Ų10964.6 Ų64.651%0.50933%0.332SS..G310 helixtrans-59.8-19.5172.9-63.7177.1-173.100113.2W73 L77 S78 N79 F83W73-E75 PolarHBondContact O-N 3.22Å; W73-E75 VanDerWaalsContact O-N 3.12Å; E75-L77 PolarHBondContact O-N 3.5Å; E75-S78 PolarHBondContact O-N 3.31Å; E75-S78 PolarHBondContact O-OG 2.97Å; E75-N79 PolarHBondContact O-N 3.36Å; E75-F83 HydrophobicContact CB-CD2 4.07Å; E75-F83 HydrophobicContact CB-CE2 3.92Å; E75-F83 HydrophobicContact CB-CZ 4.37Å; E75-F83 VanDerWaalsContact OE2-CE2 3.32Å; E75-F83 WeakPolarHBondContact OE2-CE2 3.31Å
76T61.8Low68Low1 Ų163.3 Ų63.31%0.00633%0.332CS..G310 helixtrans-61.5-27.5171.356.60000112.7W73 P74 F83 L144W73-T76 HydrophobicContact CB-CG2 3.95Å; W73-T76 WeakPolarHBondContact O-CB 3.43Å; W73-T76 VanDerWaalsContact O-CG2 3.28Å; W73-T76 WeakPolarHBondContact O-CG2 3.33Å; W73-T76 PolarHBondContact O-N 2.95Å; W73-T76 PolarHBondContact O-OG1 3.31Å; P74-T76 PolarHBondContact O-N 3.45Å; P74-T76 VanDerWaalsContact O-N 3.14Å; T76-F83 HydrophobicContact CG2-CD1 3.46Å; T76-F83 VanDerWaalsContact CG2-CD1 3.46Å; T76-F83 HydrophobicContact CG2-CE1 3.41Å; T76-F83 VanDerWaalsContact CG2-CE1 3.41Å; T76-L144 HydrophobicContact CG2-CD2 4.04Å
77L60.4Low67.4Low76 Ų7665.8 Ų65.840%0.39835%0.345SS..G310 helixtrans-87.9-15.3-179.9-59.5174.4000113.3P74 E75 I145 Y194P74-L77 WeakPolarHBondContact O-CB 3.4Å; P74-L77 PolarHBondContact O-N 3.02Å; E75-L77 PolarHBondContact O-N 3.5Å; L77-I145 HydrophobicContact CD2-CD1 3.83Å; L77-I145 HydrophobicContact CD2-CG1 3.96Å; L77-Y194 PolarHBondContact O-OH 3.4Å
78S60Low66.7Low77 Ų7763 Ų6354%0.53833%0.331SS..THydrogen-bonded Turntrans-105.3-33.2179.658.20000112.6E75E75-S78 PolarHBondContact O-N 3.31Å; E75-S78 PolarHBondContact O-OG 2.97Å
79N63.7Low66.2Low93 Ų9360 Ų6050%0.49731%0.312SS..  trans-118.961.1-173.4-73.9-47.3000113E75 H81 F83E75-N79 PolarHBondContact O-N 3.36Å; N79-H81 PolarHBondContact O-N 2.75Å; N79-H81 VanDerWaalsContact O-N 3.12Å; N79-F83 HydrophobicContact CB-CB 4.1Å; N79-F83 WeakPolarHBondContact O-CB 2.98Å; N79-F83 PolarHBondContact O-N 3.27Å
80I64.3Low65.9Low6 Ų662.4 Ų62.43%0.03132%0.324CS..THydrogen-bonded Turntrans-57.8-31.1-177-66.1172.8000113.4I145 Y194 Y198I80-I145 HydrophobicContact CD1-CD1 4.09Å; I80-I145 HydrophobicContact CG1-CD1 4.21Å; I80-Y194 HydrophobicContact CD1-CE1 3.7Å; I80-Y194 WeakPolarHBondContact CD1-OH 3.22Å; I80-Y198 HydrophobicContact CB-CE1 3.92Å; I80-Y198 HydrophobicContact CB-CE2 4.12Å; I80-Y198 HydrophobicContact CD1-CD1 4.01Å; I80-Y198 HydrophobicContact CD1-CD2 3.68Å; I80-Y198 HydrophobicContact CD1-CE1 4.13Å; I80-Y198 HydrophobicContact CD1-CE2 3.81Å; I80-Y198 HydrophobicContact CD1-CG 3.78Å; I80-Y198 HydrophobicContact CG1-CE2 4.36Å; I80-Y198 HydrophobicContact CG2-CD1 4.29Å; I80-Y198 HydrophobicContact CG2-CE1 3.71Å
81H54.8Low65.8Low54 Ų5461.8 Ų61.825%0.2532%0.319CS..THydrogen-bonded Turntrans-80.9-34-169.9-144.1112000114N79 Y139N79-H81 PolarHBondContact O-N 2.75Å; N79-H81 VanDerWaalsContact O-N 3.12Å; H81-Y139 AromaticContact CE1-CE1 3.57Å; H81-Y139 AromaticContact CE1-CZ 3.85Å; H81-Y139 PolarHBondContact CE1-OH 2.84Å; H81-Y139 VanDerWaalsContact CE1-OH 3.27Å; H81-Y139 AromaticContact ND1-CE1 3.64Å; H81-Y139 AromaticContact NE2-CE1 3.88Å; H81-Y139 AromaticContact NE2-CZ 3.95Å; H81-Y139 PolarHBondContact NE2-OH 3.37Å
82K56.6Low65.5Low189 Ų18956 Ų5682%0.82229%0.285SS*.THydrogen-bonded Turntrans-122.1-14.1-172.3-70.9-175.2179.6179.10114.2H84K82-H84 PolarHBondContact O-N 3.32Å
83F57.9Low65.3Low41 Ų4151.7 Ų51.718%0.1826%0.262CS..  trans-80.6107-177.8-165.1-91.6000110.6W73 E75 T76 N79 N85W73-F83 HydrophobicContact CB-CE1 3.95Å; W73-F83 HydrophobicContact CB-CZ 3.93Å; W73-F83 AromaticContact CD1-CZ 3.81Å; W73-F83 HydrophobicContact CG-CE1 4.28Å; W73-F83 HydrophobicContact CG-CZ 4Å; E75-F83 HydrophobicContact CB-CD2 4.07Å; E75-F83 HydrophobicContact CB-CE2 3.92Å; E75-F83 HydrophobicContact CB-CZ 4.37Å; E75-F83 VanDerWaalsContact OE2-CE2 3.32Å; E75-F83 WeakPolarHBondContact OE2-CE2 3.31Å; T76-F83 HydrophobicContact CG2-CD1 3.46Å; T76-F83 VanDerWaalsContact CG2-CD1 3.46Å; T76-F83 HydrophobicContact CG2-CE1 3.41Å; T76-F83 VanDerWaalsContact CG2-CE1 3.41Å; N79-F83 HydrophobicContact CB-CB 4.1Å; N79-F83 WeakPolarHBondContact O-CB 2.98Å; N79-F83 PolarHBondContact O-N 3.27Å; F83-N85 HydrophobicContact CE1-CB 4Å
84H57.4Low65.3Low106 Ų10649.9 Ų49.949%0.49126%0.259SS..  trans-107.5136168.36638.8000109.6K82 I140K82-H84 PolarHBondContact O-N 3.32Å; H84-I140 HydrophobicContact CB-CD1 3.94Å
85N66.5Low65.4Low25 Ų2545.9 Ų45.913%0.13423%0.233CC..  trans-126.8141.1167.9-174.412.4000109.4W73 F83 L87 S88 Y89W73-N85 VanDerWaalsContact CE2-ND2 3.29Å; W73-N85 VanDerWaalsContact CH2-ND2 3.27Å; W73-N85 WeakPolarHBondContact CH2-ND2 3.37Å; W73-N85 WeakPolarHBondContact CZ2-ND2 3.09Å; W73-N85 WeakPolarHBondContact CZ3-ND2 3.14Å; F83-N85 HydrophobicContact CE1-CB 4Å; N85-L87 PolarHBondContact O-N 2.94Å; N85-S88 PolarHBondContact O-N 3.43Å; N85-S88 VanDerWaalsContact O-N 3.1Å; N85-Y89 PolarHBondContact O-N 3.33Å
86T64.4Low65.5Low42 Ų4240.8 Ų40.826%0.25821%0.209SC..Hα-helixtrans-50.1-43.9177.7-57.70000111.9L5 L90L5-T86 HydrophobicContact CB-CG2 4.47Å; L5-T86 HydrophobicContact CD1-CG2 3.43Å; L5-T86 VanDerWaalsContact CD1-CG2 3.43Å; L5-T86 HydrophobicContact CD2-CG2 3.89Å; L5-T86 WeakPolarHBondContact CD2-OG1 3.22Å; L5-T86 HydrophobicContact CG-CG2 4.11Å; T86-L90 WeakPolarHBondContact O-CB 3.23Å; T86-L90 PolarHBondContact O-N 3.03Å
87L68.2Low65.5Low52 Ų5240.8 Ų40.827%0.27221%0.21SC..Hα-helixtrans-71.4-37.3-179.8-65.1-177.5000112.6W65 W73 N85 L91W65-L87 HydrophobicContact CZ2-CD2 4.42Å; W73-L87 HydrophobicContact CH2-CD1 3.57Å; W73-L87 HydrophobicContact CH2-CG 4.45Å; W73-L87 HydrophobicContact CZ3-CD1 3.77Å; N85-L87 PolarHBondContact O-N 2.94Å; L87-L91 VanDerWaalsContact O-CB 3.25Å; L87-L91 WeakPolarHBondContact O-CB 3.23Å; L87-L91 PolarHBondContact O-N 2.92Å
88S68.7Low65.7Low2 Ų237.1 Ų37.11%0.01419%0.191CC..Hα-helixtrans-68-40.4175.7-51.30000111.5N85 L91 I92N85-S88 PolarHBondContact O-N 3.43Å; N85-S88 VanDerWaalsContact O-N 3.1Å; S88-L91 PolarHBondContact O-N 2.86Å; S88-I92 WeakPolarHBondContact O-CD1 3.09Å; S88-I92 VanDerWaalsContact O-CG1 3.27Å; S88-I92 WeakPolarHBondContact O-CG1 3.41Å; S88-I92 PolarHBondContact O-N 3.32Å
89Y71.8Confident66.3Low4 Ų433.9 Ų33.92%0.01617%0.166CC..Hα-helixtrans-63.7-46.1175.3-174.5-98.7000111.9L5 L8 N85 L91 I92 C93 L134 Q137 I140L5-Y89 HydrophobicContact CD1-CD1 4.49Å; L8-Y89 HydrophobicContact CD2-CE1 4.48Å; N85-Y89 PolarHBondContact O-N 3.33Å; Y89-L91 VanDerWaalsContact C-N 3.34Å; Y89-L91 PolarHBondContact O-N 3.11Å; Y89-I92 PolarHBondContact O-N 3.4Å; Y89-C93 WeakPolarHBondContact O-CB 3.49Å; Y89-C93 PolarHBondContact O-N 3.02Å; Y89-L134 HydrophobicContact CD2-CD2 3.77Å; Y89-L134 HydrophobicContact CE1-CD2 4.39Å; Y89-L134 HydrophobicContact CE2-CB 4.37Å; Y89-L134 HydrophobicContact CE2-CD2 3.34Å; Y89-L134 HydrophobicContact CE2-CG 4.44Å; Y89-L134 HydrophobicContact CG-CD2 4.45Å; Y89-L134 PolarHBondContact OH-O 3.06Å; Y89-Q137 PolarHBondContact OH-NE2 2.97Å; Y89-I140 HydrophobicContact CD2-CD1 3.75Å; Y89-I140 HydrophobicContact CD2-CG1 4.44Å
90L71.3Confident66.8Low50 Ų5029.6 Ų29.626%0.26214%0.143SC..Hα-helixtrans-63.2-42.1176.9-166.693.8000111.2L8 W65 T86 I92 C93 V94L8-L90 HydrophobicContact CD2-CD1 4.26Å; W65-L90 HydrophobicContact CH2-CD2 3.55Å; W65-L90 HydrophobicContact CZ2-CD2 3.77Å; T86-L90 WeakPolarHBondContact O-CB 3.23Å; T86-L90 PolarHBondContact O-N 3.03Å; L90-I92 PolarHBondContact O-N 3.37Å; L90-C93 PolarHBondContact O-N 3.16Å; L90-V94 HydrophobicContact CG-CG2 4.42Å; L90-V94 WeakPolarHBondContact O-CB 3.02Å; L90-V94 VanDerWaalsContact O-CG2 3.28Å; L90-V94 WeakPolarHBondContact O-CG2 3.35Å; L90-V94 PolarHBondContact O-N 2.99Å
91L74.4Confident67.1Low0 Ų032.6 Ų32.60%016%0.162CC..Hα-helixtrans-58.2-47.1175.8173.460.7000111.3T62 W65 A66 L87 S88 Y89 V94 S95 L144 L147T62-L91 HydrophobicContact CG2-CD1 3.97Å; W65-L91 HydrophobicContact CB-CD1 3.83Å; W65-L91 HydrophobicContact CB-CD2 4.09Å; W65-L91 HydrophobicContact CD2-CB 4.22Å; W65-L91 HydrophobicContact CD2-CD1 3.86Å; W65-L91 HydrophobicContact CD2-CG 4.47Å; W65-L91 HydrophobicContact CE3-CD1 3.9Å; W65-L91 HydrophobicContact CG-CB 4.37Å; W65-L91 HydrophobicContact CG-CD1 3.84Å; W65-L91 HydrophobicContact CG-CD2 4.02Å; W65-L91 HydrophobicContact CG-CG 4.3Å; A66-L91 HydrophobicContact CB-CD2 4.07Å; L87-L91 VanDerWaalsContact O-CB 3.25Å; L87-L91 WeakPolarHBondContact O-CB 3.23Å; L87-L91 PolarHBondContact O-N 2.92Å; S88-L91 PolarHBondContact O-N 2.86Å; Y89-L91 VanDerWaalsContact C-N 3.34Å; Y89-L91 PolarHBondContact O-N 3.11Å; L91-V94 PolarHBondContact O-N 3.24Å; L91-S95 VanDerWaalsContact O-CB 3.29Å; L91-S95 WeakPolarHBondContact O-CB 3.47Å; L91-S95 PolarHBondContact O-N 3.38Å; L91-S95 PolarHBondContact O-OG 2.95Å; L91-L144 HydrophobicContact CD2-CD1 3.54Å; L91-L147 HydrophobicContact CD2-CD1 4.11Å; L91-L147 HydrophobicContact CG-CD1 3.93Å
92I73.9Confident68Low0 Ų031.8 Ų31.80%016%0.158CC..Hα-helixtrans-65.7-42.8177.9-63.6157.7000109.9S88 Y89 L90 V94 S95 T96 F130 L134 I140 A143 L147S88-I92 WeakPolarHBondContact O-CD1 3.09Å; S88-I92 VanDerWaalsContact O-CG1 3.27Å; S88-I92 WeakPolarHBondContact O-CG1 3.41Å; S88-I92 PolarHBondContact O-N 3.32Å; Y89-I92 PolarHBondContact O-N 3.4Å; L90-I92 PolarHBondContact O-N 3.37Å; I92-V94 PolarHBondContact O-N 3.47Å; I92-S95 PolarHBondContact O-N 3.22Å; I92-T96 WeakPolarHBondContact O-CB 3.31Å; I92-T96 PolarHBondContact O-N 3.36Å; I92-T96 PolarHBondContact O-OG1 3.25Å; I92-F130 HydrophobicContact CG2-CB 3.97Å; I92-F130 HydrophobicContact CG2-CD2 4.19Å; I92-F130 HydrophobicContact CG2-CG 4.13Å; I92-L134 HydrophobicContact CB-CD2 4.11Å; I92-L134 HydrophobicContact CG2-CD1 4.13Å; I92-L134 HydrophobicContact CG2-CD2 3.79Å; I92-L134 HydrophobicContact CG2-CG 3.8Å; I92-I140 HydrophobicContact CD1-CB 4.25Å; I92-I140 HydrophobicContact CD1-CG2 3.64Å; I92-I140 WeakPolarHBondContact CD1-O 3.45Å; I92-A143 HydrophobicContact CD1-CB 3.66Å; I92-A143 HydrophobicContact CG1-CB 4.09Å; I92-L147 HydrophobicContact CG1-CD1 4.42Å
93C71.5Confident68.8Low1 Ų123 Ų231%0.00712%0.121CC..Hα-helixtrans-58.2-48.6176.2-173.80000111.7Y89 L90 S95 A97 L134Y89-C93 WeakPolarHBondContact O-CB 3.49Å; Y89-C93 PolarHBondContact O-N 3.02Å; L90-C93 PolarHBondContact O-N 3.16Å; C93-S95 VanDerWaalsContact C-N 3.3Å; C93-S95 PolarHBondContact O-N 3.12Å; C93-A97 WeakPolarHBondContact O-CB 3.4Å; C93-A97 PolarHBondContact O-N 3.1Å; C93-L134 HydrophobicContact CB-CD2 4.24Å
94V70.4Confident69.6Low36 Ų3621.8 Ų21.822%0.21812%0.117CC..Iπ-helixtrans-62.7-39.1177171.20000111L90 L91 I92 G98L90-V94 HydrophobicContact CG-CG2 4.42Å; L90-V94 WeakPolarHBondContact O-CB 3.02Å; L90-V94 VanDerWaalsContact O-CG2 3.28Å; L90-V94 WeakPolarHBondContact O-CG2 3.35Å; L90-V94 PolarHBondContact O-N 2.99Å; L91-V94 PolarHBondContact O-N 3.24Å; I92-V94 PolarHBondContact O-N 3.47Å; V94-G98 WeakPolarHBondContact O-CA 3.24Å; V94-G98 PolarHBondContact O-N 2.99Å
95S70.6Confident70.2Confident0 Ų017.9 Ų17.90%011%0.106CC..Iπ-helixtrans-69.8-50.7-179-55.50000112.3T62 L91 I92 C93 Y99 F100T62-S95 VanDerWaalsContact CG2-OG 3.26Å; T62-S95 WeakPolarHBondContact CG2-OG 3.06Å; L91-S95 VanDerWaalsContact O-CB 3.29Å; L91-S95 WeakPolarHBondContact O-CB 3.47Å; L91-S95 PolarHBondContact O-N 3.38Å; L91-S95 PolarHBondContact O-OG 2.95Å; I92-S95 PolarHBondContact O-N 3.22Å; C93-S95 VanDerWaalsContact C-N 3.3Å; C93-S95 PolarHBondContact O-N 3.12Å; S95-Y99 PolarHBondContact O-N 2.92Å; S95-F100 VanDerWaalsContact O-CD2 3.23Å; S95-F100 WeakPolarHBondContact O-CD2 3.38Å; S95-F100 PolarHBondContact O-N 3.29Å; S95-F100 VanDerWaalsContact O-N 3.11Å
96T67Low70.5Confident1 Ų118.4 Ų18.41%0.00611%0.109CC..Iπ-helixtrans-68.5-46.3-178.4-49.10000111.8I92 V101 I127 F130 L131 L134I92-T96 WeakPolarHBondContact O-CB 3.31Å; I92-T96 PolarHBondContact O-N 3.36Å; I92-T96 PolarHBondContact O-OG1 3.25Å; T96-V101 VanDerWaalsContact O-CG2 3.24Å; T96-V101 WeakPolarHBondContact O-CG2 3.42Å; T96-I127 HydrophobicContact CG2-CG2 4.49Å; T96-F130 HydrophobicContact CG2-CB 3.93Å; T96-F130 WeakPolarHBondContact OG1-CB 3.34Å; T96-F130 WeakPolarHBondContact OG1-CD2 3.39Å; T96-L131 HydrophobicContact CG2-CD2 3.96Å; T96-L131 HydrophobicContact CG2-CG 3.87Å; T96-L134 HydrophobicContact CG2-CD1 4.33Å
97A61.2Low70.8Confident1 Ų116.8 Ų16.81%0.00810%0.099CC..Iπ-helixtrans-84.4-37.8-173.800000114.3V16 C19 S20 C93V16-A97 HydrophobicContact CB-CB 3.59Å; V16-A97 HydrophobicContact CG1-CB 3.31Å; V16-A97 HydrophobicContact CG2-CB 3.84Å; V16-A97 VanDerWaalsContact O-CB 3.23Å; V16-A97 WeakPolarHBondContact O-CB 3.3Å; C19-A97 HydrophobicContact CB-CB 4.07Å; S20-A97 VanDerWaalsContact CB-O 3.28Å; S20-A97 WeakPolarHBondContact CB-O 3.09Å; S20-A97 PolarHBondContact OG-O 2.75Å; C93-A97 WeakPolarHBondContact O-CB 3.4Å; C93-A97 PolarHBondContact O-N 3.1Å
98G64.8Low71.1Confident0 Ų019.4 Ų19.40%011%0.112CC..Iπ-helixtrans-78.9-60.3-17500000111.1F23 V94 H102F23-G98 WeakPolarHBondContact CD1-O 3.33Å; F23-G98 VanDerWaalsContact CG-O 3.29Å; F23-G98 WeakPolarHBondContact CG-O 3.41Å; V94-G98 WeakPolarHBondContact O-CA 3.24Å; V94-G98 PolarHBondContact O-N 2.99Å; G98-H102 WeakPolarHBondContact O-CB 3.45Å
99Y72.5Confident71.2Confident8 Ų826.5 Ų26.53%0.03115%0.149CC..Iπ-helixtrans-98.5-56-166.9173.7-104.3000113.8F23 V54 S55 H58 S95 V101 H102 D103F23-Y99 HydrophobicContact CE1-CD2 4.08Å; F23-Y99 HydrophobicContact CE2-CD2 4.32Å; F23-Y99 AromaticContact CZ-CD2 3.56Å; F23-Y99 HydrophobicContact CZ-CD2 3.56Å; F23-Y99 HydrophobicContact CZ-CG 4.25Å; V54-Y99 HydrophobicContact CG1-CE2 4.43Å; S55-Y99 WeakPolarHBondContact CA-OH 3.07Å; S55-Y99 WeakPolarHBondContact CB-OH 3.33Å; S55-Y99 PolarHBondContact OG-OH 3.43Å; H58-Y99 HydrophobicContact CB-CD1 4.25Å; H58-Y99 HydrophobicContact CB-CD2 3.6Å; H58-Y99 HydrophobicContact CB-CE1 4.47Å; H58-Y99 HydrophobicContact CB-CE2 3.85Å; H58-Y99 HydrophobicContact CB-CG 3.8Å; H58-Y99 AromaticContact CD2-CD1 3.09Å; H58-Y99 WeakPolarHBondContact CD2-CD1 3.48Å; H58-Y99 AromaticContact CD2-CE1 3.41Å; H58-Y99 VanDerWaalsContact CD2-CE1 3.41Å; H58-Y99 WeakPolarHBondContact CD2-CE1 3.35Å; H58-Y99 AromaticContact CD2-CG 3.46Å; H58-Y99 VanDerWaalsContact CD2-CG 3.46Å; H58-Y99 WeakPolarHBondContact CE1-CB 3.03Å; H58-Y99 AromaticContact CE1-CD1 3.6Å; H58-Y99 AromaticContact CE1-CG 3.61Å; H58-Y99 AromaticContact CG-CD1 3.43Å; H58-Y99 VanDerWaalsContact CG-CD1 3.43Å; H58-Y99 AromaticContact CG-CD2 3.61Å; H58-Y99 AromaticContact CG-CE1 3.94Å; H58-Y99 AromaticContact CG-CG 3.23Å; H58-Y99 WeakPolarHBondContact ND1-CB 3.33Å; H58-Y99 AromaticContact ND1-CD1 3.77Å; H58-Y99 AromaticContact ND1-CG 3.37Å; H58-Y99 AromaticContact NE2-CD1 3.23Å; H58-Y99 WeakPolarHBondContact NE2-CD1 3.32Å; H58-Y99 AromaticContact NE2-CE1 3.91Å; H58-Y99 AromaticContact NE2-CG 3.71Å; S95-Y99 PolarHBondContact O-N 2.92Å; Y99-V101 PolarHBondContact O-N 3.39Å; Y99-H102 CarbonylContact O-C 3.11Å; Y99-H102 PolarHBondContact O-N 3.05Å; Y99-H102 VanDerWaalsContact O-N 3.08Å; Y99-D103 HydrophobicContact CD2-CB 4.41Å; Y99-D103 HydrophobicContact CE1-CB 4.48Å; Y99-D103 HydrophobicContact CE2-CB 4.05Å; Y99-D103 WeakPolarHBondContact O-CB 3.08Å; Y99-D103 PolarHBondContact O-N 3.5Å; Y99-D103 PolarHBondContact OH-OD2 3.26Å
100F73.6Confident70.9Confident3 Ų328.7 Ų28.71%0.01316%0.163CC..Iπ-helixtrans-62.9-44-168.7-75.2-61.9000112.9S95 A104 H123 V126 I127 F130 L147S95-F100 VanDerWaalsContact O-CD2 3.23Å; S95-F100 WeakPolarHBondContact O-CD2 3.38Å; S95-F100 PolarHBondContact O-N 3.29Å; S95-F100 VanDerWaalsContact O-N 3.11Å; F100-A104 WeakPolarHBondContact O-CB 3.47Å; F100-A104 PolarHBondContact O-N 2.85Å; F100-A104 VanDerWaalsContact O-N 3.08Å; F100-H123 AromaticContact CD1-CE1 3.8Å; F100-H123 AromaticContact CD1-ND1 3.33Å; F100-H123 VanDerWaalsContact CD1-ND1 3.33Å; F100-H123 WeakPolarHBondContact CD1-ND1 3.46Å; F100-H123 AromaticContact CE1-ND1 3.86Å; F100-V126 HydrophobicContact CD2-CG1 4.2Å; F100-V126 HydrophobicContact CE1-CG1 4.3Å; F100-V126 HydrophobicContact CE2-CG1 3.96Å; F100-V126 HydrophobicContact CZ-CG1 4Å; F100-I127 HydrophobicContact CB-CD1 4.1Å; F100-I127 HydrophobicContact CB-CG1 3.61Å; F100-F130 HydrophobicContact CD2-CE2 4.49Å; F100-F130 HydrophobicContact CE2-CD2 4.4Å; F100-F130 AromaticContact CE2-CE2 3.95Å; F100-F130 HydrophobicContact CE2-CE2 3.95Å; F100-L147 HydrophobicContact CE2-CD2 4.29Å
101V72.6Confident70.5Confident69 Ų6929.2 Ų29.242%0.41818%0.181SC..Hα-helixtrans-66.3-39175171.80000111.4T96 Y99 G105 I127T96-V101 VanDerWaalsContact O-CG2 3.24Å; T96-V101 WeakPolarHBondContact O-CG2 3.42Å; Y99-V101 PolarHBondContact O-N 3.39Å; V101-G105 PolarHBondContact O-N 2.87Å; V101-I127 HydrophobicContact CG2-CD1 3.97Å; V101-I127 HydrophobicContact CG2-CG1 4.19Å; V101-I127 HydrophobicContact CG2-CG2 3.99Å
102H73.4Confident70Confident37 Ų3732.1 Ų32.117%0.17119%0.194CC..Hα-helixtrans-66.5-47.6178.5179.3-62.3000111.7F23 H27 G98 Y99 G105 D106F23-H102 HydrophobicContact CD1-CB 4.11Å; F23-H102 AromaticContact CD1-CG 3.97Å; F23-H102 HydrophobicContact CE1-CB 4.32Å; H27-H102 AromaticContact CE1-CE1 3.3Å; H27-H102 PolarHBondContact CE1-CE1 2.87Å; H27-H102 AromaticContact CE1-NE2 3.86Å; H27-H102 AromaticContact ND1-CE1 2.91Å; H27-H102 PolarHBondContact ND1-CE1 2.96Å; H27-H102 AromaticContact ND1-ND1 3.86Å; H27-H102 AromaticContact ND1-NE2 3.09Å; H27-H102 PolarHBondContact ND1-NE2 2.9Å; G98-H102 WeakPolarHBondContact O-CB 3.45Å; Y99-H102 CarbonylContact O-C 3.11Å; Y99-H102 PolarHBondContact O-N 3.05Å; Y99-H102 VanDerWaalsContact O-N 3.08Å; H102-G105 PolarHBondContact O-N 3.38Å; H102-D106 PolarHBondContact O-N 3.45Å
103D73Confident69.4Low6 Ų632.8 Ų32.83%0.03220%0.201CC..Hα-helixtrans-64.6-43.9-178.6-168.341.2000110.9N51 Y99 G105 D106 I107 H123N51-D103 PolarHBondContact ND2-OD1 3.38Å; N51-D103 PolarHBondContact OD1-OD1 3.04Å; Y99-D103 HydrophobicContact CD2-CB 4.41Å; Y99-D103 HydrophobicContact CE1-CB 4.48Å; Y99-D103 HydrophobicContact CE2-CB 4.05Å; Y99-D103 WeakPolarHBondContact O-CB 3.08Å; Y99-D103 PolarHBondContact O-N 3.5Å; Y99-D103 PolarHBondContact OH-OD2 3.26Å; D103-G105 VanDerWaalsContact C-N 3.31Å; D103-G105 PolarHBondContact O-N 3.21Å; D103-D106 PolarHBondContact O-N 3.22Å; D103-I107 WeakPolarHBondContact O-CD1 3.33Å; D103-I107 VanDerWaalsContact O-CG1 3.26Å; D103-I107 WeakPolarHBondContact O-CG1 3.36Å; D103-I107 PolarHBondContact O-N 3.03Å; D103-H123 IonicContact OD2-CE1 3.52Å; D103-H123 IonicContact OD2-NE2 2.71Å; D103-H123 PolarHBondContact OD2-NE2 2.85Å; D103-H123 VanDerWaalsContact OD2-NE2 3.1Å
104A73.7Confident68.9Low14 Ų1444.5 Ų44.512%0.11625%0.245CC..Hα-helixtrans-59.2-43.1171.700000111.9F100 I108 L120 H123 I127F100-A104 WeakPolarHBondContact O-CB 3.47Å; F100-A104 PolarHBondContact O-N 2.85Å; F100-A104 VanDerWaalsContact O-N 3.08Å; A104-I108 WeakPolarHBondContact O-CD1 3.45Å; A104-I108 VanDerWaalsContact O-CG1 3.22Å; A104-I108 WeakPolarHBondContact O-CG1 3.33Å; A104-I108 PolarHBondContact O-N 3.42Å; A104-I108 VanDerWaalsContact O-N 3.11Å; A104-L120 HydrophobicContact CB-CD2 4.23Å; A104-H123 HydrophobicContact CB-CB 4.12Å; A104-I127 HydrophobicContact CB-CD1 4.36Å
105G71.6Confident68.4Low25 Ų2544.9 Ų44.926%0.25826%0.256SS..Hα-helixtrans-61.6-45.7175.900000113.1V101 H102 D103 I107 I108 L109V101-G105 PolarHBondContact O-N 2.87Å; H102-G105 PolarHBondContact O-N 3.38Å; D103-G105 VanDerWaalsContact C-N 3.31Å; D103-G105 PolarHBondContact O-N 3.21Å; G105-I107 PolarHBondContact O-N 2.8Å; G105-I108 PolarHBondContact O-N 2.85Å; G105-L109 WeakPolarHBondContact O-CB 3.4Å; G105-L109 VanDerWaalsContact O-CG 3.23Å; G105-L109 WeakPolarHBondContact O-CG 3.19Å; G105-L109 PolarHBondContact O-N 3.3Å
106D71.9Confident68.4Low35 Ų3545.9 Ų45.919%0.18726%0.263CS..Hα-helixtrans-63.1-42.9179.4-164.169.2000111.5W47 H102 D103 I108 L109 T110W47-D106 PolarHBondContact NE1-OD2 2.97Å; H102-D106 PolarHBondContact O-N 3.45Å; D103-D106 PolarHBondContact O-N 3.22Å; D106-I108 VanDerWaalsContact C-N 3.34Å; D106-I108 PolarHBondContact O-N 3.42Å; D106-L109 PolarHBondContact O-N 3.37Å; D106-T110 VanDerWaalsContact O-CB 3.3Å; D106-T110 WeakPolarHBondContact O-CB 3.39Å; D106-T110 VanDerWaalsContact O-CG2 3.22Å; D106-T110 WeakPolarHBondContact O-CG2 3.29Å; D106-T110 PolarHBondContact O-N 3.31Å; D106-T110 PolarHBondContact O-OG1 2.87Å
107I70.8Confident68.7Low8 Ų854 Ų544%0.04129%0.293CS..Hα-helixtrans-63.1-39.6177.7-65.8165.6000111.7W47 D103 G105 T110 H112 G113 L120W47-I107 HydrophobicContact CH2-CG1 4.38Å; D103-I107 WeakPolarHBondContact O-CD1 3.33Å; D103-I107 VanDerWaalsContact O-CG1 3.26Å; D103-I107 WeakPolarHBondContact O-CG1 3.36Å; D103-I107 PolarHBondContact O-N 3.03Å; G105-I107 PolarHBondContact O-N 2.8Å; I107-T110 PolarHBondContact O-OG1 3.33Å; I107-H112 PolarHBondContact O-N 3.16Å; I107-G113 PolarHBondContact O-N 3.26Å; I107-L120 HydrophobicContact CB-CD2 4.05Å; I107-L120 HydrophobicContact CG2-CD1 4.07Å; I107-L120 HydrophobicContact CG2-CD2 3.88Å; I107-L120 HydrophobicContact CG2-CG 3.94Å
108I74.2Confident69.5Low107 Ų10757.4 Ų57.455%0.54931%0.309SS..Hα-helixtrans-70.7-49.3178.6-68165.9000110.5A104 G105 D106 T110 G111 L120A104-I108 WeakPolarHBondContact O-CD1 3.45Å; A104-I108 VanDerWaalsContact O-CG1 3.22Å; A104-I108 WeakPolarHBondContact O-CG1 3.33Å; A104-I108 PolarHBondContact O-N 3.42Å; A104-I108 VanDerWaalsContact O-N 3.11Å; G105-I108 PolarHBondContact O-N 2.85Å; D106-I108 VanDerWaalsContact C-N 3.34Å; D106-I108 PolarHBondContact O-N 3.42Å; I108-T110 PolarHBondContact O-N 2.9Å; I108-G111 PolarHBondContact O-N 2.74Å; I108-L120 HydrophobicContact CD1-CD2 4.12Å; I108-L120 HydrophobicContact CG1-CD1 4.04Å; I108-L120 HydrophobicContact CG1-CD2 3.83Å
109L70.9Confident70Confident152 Ų15261.3 Ų61.380%0.79633%0.327SS*.Hα-helixtrans-70.6-30.1-174.8-68.9172.9000113G105 D106 G111G105-L109 WeakPolarHBondContact O-CB 3.4Å; G105-L109 VanDerWaalsContact O-CG 3.23Å; G105-L109 WeakPolarHBondContact O-CG 3.19Å; G105-L109 PolarHBondContact O-N 3.3Å; D106-L109 PolarHBondContact O-N 3.37Å; L109-G111 PolarHBondContact O-N 2.82Å
110T65.7Low70.4Confident49 Ų4961.8 Ų61.830%0.30133%0.33SS..THydrogen-bonded Turntrans-78.3-0.6175.3590000113.8W47 D106 I107 I108 H112W47-T110 HydrophobicContact CZ2-CG2 4.28Å; W47-T110 WeakPolarHBondContact CZ2-OG1 3.26Å; D106-T110 VanDerWaalsContact O-CB 3.3Å; D106-T110 WeakPolarHBondContact O-CB 3.39Å; D106-T110 VanDerWaalsContact O-CG2 3.22Å; D106-T110 WeakPolarHBondContact O-CG2 3.29Å; D106-T110 PolarHBondContact O-N 3.31Å; D106-T110 PolarHBondContact O-OG1 2.87Å; I107-T110 PolarHBondContact O-OG1 3.33Å; I108-T110 PolarHBondContact O-N 2.9Å; T110-H112 VanDerWaalsContact C-N 3.27Å; T110-H112 PolarHBondContact O-CE1 3.02Å; T110-H112 PolarHBondContact O-N 3.07Å; T110-H112 PolarHBondContact O-ND1 3.44Å; T110-H112 PolarHBondContact OG1-ND1 3.5Å
111G62Low70.9Confident62 Ų6264.5 Ų64.564%0.63934%0.344SS*.THydrogen-bonded Turntrans77.76.2175.900000114.9I108 L109 G113I108-G111 PolarHBondContact O-N 2.74Å; L109-G111 PolarHBondContact O-N 2.82Å; G111-G113 VanDerWaalsContact C-N 3.32Å
112H64.9Low71.5Confident60 Ų6062.6 Ų62.628%0.27833%0.33SS..  trans-87.92.7179.9-62.1100.8000113.7F44 W47 I107 T110 R114 G115 S116F44-H112 AromaticContact CD2-CD2 3.83Å; F44-H112 AromaticContact CD2-NE2 3.4Å; F44-H112 WeakPolarHBondContact CD2-NE2 3.14Å; F44-H112 AromaticContact CE2-CD2 3.46Å; F44-H112 VanDerWaalsContact CE2-CD2 3.46Å; F44-H112 WeakPolarHBondContact CE2-CD2 3.23Å; F44-H112 AromaticContact CE2-NE2 3.57Å; W47-H112 HydrophobicContact CH2-CB 4.26Å; W47-H112 HydrophobicContact CZ3-CB 4.41Å; W47-H112 AromaticContact CZ3-ND1 3.98Å; I107-H112 PolarHBondContact O-N 3.16Å; T110-H112 VanDerWaalsContact C-N 3.27Å; T110-H112 PolarHBondContact O-CE1 3.02Å; T110-H112 PolarHBondContact O-N 3.07Å; T110-H112 PolarHBondContact O-ND1 3.44Å; T110-H112 PolarHBondContact OG1-ND1 3.5Å; H112-R114 VanDerWaalsContact C-N 3.28Å; H112-R114 PolarHBondContact O-N 3.42Å; H112-R114 VanDerWaalsContact O-N 3.17Å; H112-G115 PolarHBondContact O-N 2.82Å; H112-S116 PolarHBondContact O-N 2.87Å; H112-S116 VanDerWaalsContact O-N 3.16Å
113G61.5Low72Confident14 Ų1461.3 Ų61.314%0.14432%0.324CS..THydrogen-bonded Turntrans-56.5-32.9-176.100000115.4I107 G111 G115 S116 W117I107-G113 PolarHBondContact O-N 3.26Å; G111-G113 VanDerWaalsContact C-N 3.32Å; G113-G115 VanDerWaalsContact C-N 3.34Å; G113-G115 PolarHBondContact O-N 3.44Å; G113-S116 CarbonylContact O-C 3.58Å; G113-S116 PolarHBondContact O-N 3.46Å; G113-W117 WeakPolarHBondContact O-CA 3.33Å; G113-W117 PolarHBondContact O-N 3.01Å; G113-W117 VanDerWaalsContact O-N 3.07Å
114R60.7Low72.6Confident248 Ų24863.9 Ų63.994%0.93635%0.346SS*.THydrogen-bonded Turntrans-68.8-31.2175.8-72-175.7121.5135.80.7113.2H112H112-R114 VanDerWaalsContact C-N 3.28Å; H112-R114 PolarHBondContact O-N 3.42Å; H112-R114 VanDerWaalsContact O-N 3.17Å
115G60.6Low73.2Confident44 Ų4464.2 Ų64.245%0.45435%0.346SS..THydrogen-bonded Turntrans-80.1-26.117700000113H112 G113 F256H112-G115 PolarHBondContact O-N 2.82Å; G113-G115 VanDerWaalsContact C-N 3.34Å; G113-G115 PolarHBondContact O-N 3.44Å; G115-F256 WeakPolarHBondContact O-CE2 3.48Å; G115-F256 WeakPolarHBondContact O-CZ 3.2Å
116S68.9Low73.8Confident20 Ų2063.9 Ų63.914%0.1434%0.338CS..SBendtrans-11827.9-174-670000113.4H112 G113 E118 F119 L120H112-S116 PolarHBondContact O-N 2.87Å; H112-S116 VanDerWaalsContact O-N 3.16Å; G113-S116 CarbonylContact O-C 3.58Å; G113-S116 PolarHBondContact O-N 3.46Å; S116-E118 VanDerWaalsContact C-N 3.27Å; S116-E118 PolarHBondContact O-N 2.67Å; S116-F119 WeakPolarHBondContact O-CB 3.48Å; S116-F119 PolarHBondContact O-N 2.87Å; S116-L120 PolarHBondContact O-N 2.97Å
117W74.8Confident74.4Confident171 Ų17163.4 Ų63.465%0.64834%0.336SS*.Hα-helixtrans-57.4-38.3-177.2178.9-99.2000113.1G113 F119 L120 L121G113-W117 WeakPolarHBondContact O-CA 3.33Å; G113-W117 PolarHBondContact O-N 3.01Å; G113-W117 VanDerWaalsContact O-N 3.07Å; W117-F119 VanDerWaalsContact C-N 3.29Å; W117-F119 PolarHBondContact O-N 2.93Å; W117-L120 PolarHBondContact O-N 2.84Å; W117-L121 WeakPolarHBondContact O-CB 3.47Å; W117-L121 PolarHBondContact O-N 3.26Å
118E78.3Confident75.1Confident74 Ų7469.4 Ų69.435%0.34636%0.358SS..Hα-helixtrans-60.7-39.3176.9-55.9178.2158.500111.6S116 L121 H122 Y226 R229S116-E118 VanDerWaalsContact C-N 3.27Å; S116-E118 PolarHBondContact O-N 2.67Å; E118-L121 PolarHBondContact O-N 2.97Å; E118-H122 PolarHBondContact O-N 3.48Å; E118-Y226 WeakPolarHBondContact CB-OH 3.25Å; E118-Y226 WeakPolarHBondContact OE2-CE1 3.31Å; E118-Y226 PolarHBondContact OE2-OH 3.27Å; E118-Y226 VanDerWaalsContact OE2-OH 3.13Å; E118-R229 IonicContact OE1-CZ 3.24Å; E118-R229 IonicContact OE1-NH1 3.35Å; E118-R229 PolarHBondContact OE1-NH1 3.47Å; E118-R229 IonicContact OE1-NH2 2.8Å; E118-R229 PolarHBondContact OE1-NH2 3.42Å; E118-R229 IonicContact OE2-CZ 3.58Å; E118-R229 IonicContact OE2-NH1 3.42Å; E118-R229 PolarHBondContact OE2-NH1 3.25Å; E118-R229 IonicContact OE2-NH2 2.84Å
119F74.9Confident75.6Confident82 Ų8265.6 Ų65.636%0.3634%0.341SS..Hα-helixtrans-71.2-36.7176.1-62.9-76.6000112.3S116 W117 H122 H123S116-F119 WeakPolarHBondContact O-CB 3.48Å; S116-F119 PolarHBondContact O-N 2.87Å; W117-F119 VanDerWaalsContact C-N 3.29Å; W117-F119 PolarHBondContact O-N 2.93Å; F119-H122 WeakPolarHBondContact O-CB 3.34Å; F119-H122 PolarHBondContact O-N 2.82Å; F119-H123 PolarHBondContact O-CD2 3.18Å; F119-H123 PolarHBondContact O-N 3.07Å
120L80.2Confident76.2Confident18 Ų1858.9 Ų58.99%0.09431%0.305CS..Hα-helixtrans-65.3-41174.4-73.9173.7000111.9A104 I107 I108 S116 W117 H122 H123 A124A104-L120 HydrophobicContact CB-CD2 4.23Å; I107-L120 HydrophobicContact CB-CD2 4.05Å; I107-L120 HydrophobicContact CG2-CD1 4.07Å; I107-L120 HydrophobicContact CG2-CD2 3.88Å; I107-L120 HydrophobicContact CG2-CG 3.94Å; I108-L120 HydrophobicContact CD1-CD2 4.12Å; I108-L120 HydrophobicContact CG1-CD1 4.04Å; I108-L120 HydrophobicContact CG1-CD2 3.83Å; S116-L120 PolarHBondContact O-N 2.97Å; W117-L120 PolarHBondContact O-N 2.84Å; L120-H122 VanDerWaalsContact C-N 3.34Å; L120-H123 PolarHBondContact O-N 3.04Å; L120-A124 WeakPolarHBondContact O-CB 3.28Å; L120-A124 PolarHBondContact O-N 3.33Å
121L83.6Confident77Confident60 Ų6058.9 Ų58.931%0.31430%0.303SS..Hα-helixtrans-63.1-42.4175.7179.8136.6000111.1W117 E118 A124 M125 M218 M222W117-L121 WeakPolarHBondContact O-CB 3.47Å; W117-L121 PolarHBondContact O-N 3.26Å; E118-L121 PolarHBondContact O-N 2.97Å; L121-A124 PolarHBondContact O-N 3.04Å; L121-M125 HydrophobicContact CD2-CE 3.31Å; L121-M125 HydrophobicContact CD2-SD 4.2Å; L121-M125 HydrophobicContact CG-CE 4.15Å; L121-M125 WeakPolarHBondContact O-CE 3.24Å; L121-M125 WeakPolarHBondContact O-CG 3.42Å; L121-M125 PolarHBondContact O-N 2.84Å; L121-M125 VanDerWaalsContact O-N 3.11Å; L121-M218 HydrophobicContact CD1-CE 4.41Å; L121-M218 HydrophobicContact CD2-CE 4.33Å; L121-M222 HydrophobicContact CD2-SD 4.13Å
122H86.5Confident78Confident28 Ų2858 Ų5813%0.1328%0.281CS..Hα-helixtrans-54.8-52.7170.5172.567.6000112.3E118 F119 L120 A124 M125 V126 M219 M222E118-H122 PolarHBondContact O-N 3.48Å; F119-H122 WeakPolarHBondContact O-CB 3.34Å; F119-H122 PolarHBondContact O-N 2.82Å; L120-H122 VanDerWaalsContact C-N 3.34Å; H122-A124 VanDerWaalsContact C-N 3.34Å; H122-A124 PolarHBondContact O-N 3.41Å; H122-M125 PolarHBondContact O-N 2.82Å; H122-V126 WeakPolarHBondContact O-CG2 3.43Å; H122-V126 PolarHBondContact O-N 3.19Å; H122-M219 VanDerWaalsContact CE1-CE 3.49Å; H122-M219 WeakPolarHBondContact CE1-CE 3.35Å; H122-M219 VanDerWaalsContact ND1-CE 3.35Å; H122-M219 WeakPolarHBondContact ND1-CE 3.07Å; H122-M219 PolarHBondContact ND1-SD 3.19Å; H122-M222 HydrophobicContact CB-CE 3.44Å; H122-M222 VanDerWaalsContact CB-CE 3.44Å; H122-M222 HydrophobicContact CB-SD 4.13Å
123H84.3Confident78.8Confident11 Ų1155.3 Ų55.35%0.05127%0.269CS..Hα-helixtrans-61.8-41.7180-71.3-47.7000112.1F100 D103 A104 F119 L120 M125 V126 I127F100-H123 AromaticContact CD1-CE1 3.8Å; F100-H123 AromaticContact CD1-ND1 3.33Å; F100-H123 VanDerWaalsContact CD1-ND1 3.33Å; F100-H123 WeakPolarHBondContact CD1-ND1 3.46Å; F100-H123 AromaticContact CE1-ND1 3.86Å; D103-H123 IonicContact OD2-CE1 3.52Å; D103-H123 IonicContact OD2-NE2 2.71Å; D103-H123 PolarHBondContact OD2-NE2 2.85Å; D103-H123 VanDerWaalsContact OD2-NE2 3.1Å; A104-H123 HydrophobicContact CB-CB 4.12Å; F119-H123 PolarHBondContact O-CD2 3.18Å; F119-H123 PolarHBondContact O-N 3.07Å; L120-H123 PolarHBondContact O-N 3.04Å; H123-M125 VanDerWaalsContact C-N 3.35Å; H123-M125 PolarHBondContact O-N 3.18Å; H123-V126 PolarHBondContact O-N 3.05Å; H123-I127 HydrophobicContact CB-CD1 4.23Å; H123-I127 VanDerWaalsContact O-CB 3.27Å; H123-I127 WeakPolarHBondContact O-CB 3.47Å; H123-I127 WeakPolarHBondContact O-CD1 3.35Å; H123-I127 WeakPolarHBondContact O-CG1 3.46Å; H123-I127 PolarHBondContact O-N 3.48Å
124A84.1Confident79.6Confident60 Ų6054.8 Ų54.850%0.49626%0.263SS..Hα-helixtrans-58.6-45.6177.800000112.1L120 L121 H122 W128L120-A124 WeakPolarHBondContact O-CB 3.28Å; L120-A124 PolarHBondContact O-N 3.33Å; L121-A124 PolarHBondContact O-N 3.04Å; H122-A124 VanDerWaalsContact C-N 3.34Å; H122-A124 PolarHBondContact O-N 3.41Å; A124-W128 WeakPolarHBondContact O-CB 3.41Å; A124-W128 PolarHBondContact O-N 3.06Å; A124-W128 VanDerWaalsContact O-N 3.11Å
125M86.9Confident80.4Confident21 Ų2150.1 Ų50.110%0.10325%0.246CC..Hα-helixtrans-64.2-45.8178.2-71.6-175.3-64.300112.1L121 H122 H123 C129 T215 M218 M219L121-M125 HydrophobicContact CD2-CE 3.31Å; L121-M125 HydrophobicContact CD2-SD 4.2Å; L121-M125 HydrophobicContact CG-CE 4.15Å; L121-M125 WeakPolarHBondContact O-CE 3.24Å; L121-M125 WeakPolarHBondContact O-CG 3.42Å; L121-M125 PolarHBondContact O-N 2.84Å; L121-M125 VanDerWaalsContact O-N 3.11Å; H122-M125 PolarHBondContact O-N 2.82Å; H123-M125 VanDerWaalsContact C-N 3.35Å; H123-M125 PolarHBondContact O-N 3.18Å; M125-C129 PolarHBondContact O-N 2.59Å; M125-C129 VanDerWaalsContact O-N 3.12Å; M125-C129 PolarHBondContact O-SG 3.02Å; M125-C129 VanDerWaalsContact O-SG 3.42Å; M125-T215 HydrophobicContact CB-CG2 3.81Å; M125-T215 HydrophobicContact CG-CG2 4.03Å; M125-T215 HydrophobicContact SD-CG2 4.18Å; M125-M218 HydrophobicContact CE-CB 4.46Å; M125-M218 HydrophobicContact SD-CB 3.74Å; M125-M218 HydrophobicContact SD-CE 3.9Å; M125-M218 HydrophobicContact SD-SD 4.21Å; M125-M219 HydrophobicContact CB-SD 4.49Å; M125-M219 HydrophobicContact CE-CG 4.05Å; M125-M219 HydrophobicContact CE-SD 3.56Å; M125-M219 VanDerWaalsContact CE-SD 3.56Å; M125-M219 HydrophobicContact SD-CG 4.36Å
126V84.8Confident81Confident17 Ų1750.6 Ų50.610%0.10324%0.24CC..Hα-helixtrans-66.8-45.6-179.7176.30000111.4F100 H122 H123 W128 C129 F130 M219F100-V126 HydrophobicContact CD2-CG1 4.2Å; F100-V126 HydrophobicContact CE1-CG1 4.3Å; F100-V126 HydrophobicContact CE2-CG1 3.96Å; F100-V126 HydrophobicContact CZ-CG1 4Å; H122-V126 WeakPolarHBondContact O-CG2 3.43Å; H122-V126 PolarHBondContact O-N 3.19Å; H123-V126 PolarHBondContact O-N 3.05Å; V126-W128 VanDerWaalsContact C-N 3.32Å; V126-W128 PolarHBondContact O-N 3.35Å; V126-C129 PolarHBondContact O-N 3.41Å; V126-F130 HydrophobicContact CG1-CD1 4.45Å; V126-F130 HydrophobicContact CG1-CD2 4.01Å; V126-F130 HydrophobicContact CG1-CE1 4.27Å; V126-F130 HydrophobicContact CG1-CE2 3.82Å; V126-F130 HydrophobicContact CG1-CG 4.33Å; V126-F130 HydrophobicContact CG1-CZ 3.96Å; V126-F130 WeakPolarHBondContact O-CB 3.41Å; V126-F130 WeakPolarHBondContact O-CG 3.37Å; V126-F130 PolarHBondContact O-N 2.81Å; V126-M219 HydrophobicContact CG2-CE 3.92Å
127I84.5Confident81.2Confident26 Ų2652 Ų5213%0.13325%0.245CC..Hα-helixtrans-57.7-47.4179-70.7163.7000110T96 F100 V101 A104 H123 F130 L131T96-I127 HydrophobicContact CG2-CG2 4.49Å; F100-I127 HydrophobicContact CB-CD1 4.1Å; F100-I127 HydrophobicContact CB-CG1 3.61Å; V101-I127 HydrophobicContact CG2-CD1 3.97Å; V101-I127 HydrophobicContact CG2-CG1 4.19Å; V101-I127 HydrophobicContact CG2-CG2 3.99Å; A104-I127 HydrophobicContact CB-CD1 4.36Å; H123-I127 HydrophobicContact CB-CD1 4.23Å; H123-I127 VanDerWaalsContact O-CB 3.27Å; H123-I127 WeakPolarHBondContact O-CB 3.47Å; H123-I127 WeakPolarHBondContact O-CD1 3.35Å; H123-I127 WeakPolarHBondContact O-CG1 3.46Å; H123-I127 PolarHBondContact O-N 3.48Å; I127-F130 PolarHBondContact O-N 3.28Å; I127-L131 HydrophobicContact CG2-CD1 3.7Å; I127-L131 HydrophobicContact CG2-CG 4.19Å; I127-L131 VanDerWaalsContact O-CB 3.32Å; I127-L131 WeakPolarHBondContact O-CB 3.38Å; I127-L131 VanDerWaalsContact O-CG 3.24Å; I127-L131 WeakPolarHBondContact O-CG 3.27Å; I127-L131 PolarHBondContact O-N 3.43Å
128W84.8Confident81Confident133 Ų13346.6 Ų46.650%0.50423%0.228SC..Hα-helixtrans-63.8-48-179.5177.2-93.7000112.3A124 V126 F130 L131 Y132 Y211A124-W128 WeakPolarHBondContact O-CB 3.41Å; A124-W128 PolarHBondContact O-N 3.06Å; A124-W128 VanDerWaalsContact O-N 3.11Å; V126-W128 VanDerWaalsContact C-N 3.32Å; V126-W128 PolarHBondContact O-N 3.35Å; W128-F130 VanDerWaalsContact C-N 3.3Å; W128-F130 PolarHBondContact O-N 2.91Å; W128-L131 PolarHBondContact O-N 3.02Å; W128-Y132 PolarHBondContact O-N 3.42Å; W128-Y211 AromaticContact CD1-CE1 3.43Å; W128-Y211 VanDerWaalsContact CD1-CE1 3.43Å; W128-Y211 AromaticContact CD1-CZ 3.67Å; W128-Y211 AromaticContact NE1-CE1 3.21Å; W128-Y211 AromaticContact NE1-CZ 3.42Å; W128-Y211 PolarHBondContact NE1-OH 3.5Å; W128-Y211 VanDerWaalsContact NE1-OH 3.16Å
129C83.8Confident80.9Confident27 Ų2744.2 Ų44.218%0.18222%0.216CC..Hα-helixtrans-59.5-41.3178-73.70000112.2M125 V126 Y132 A133M125-C129 PolarHBondContact O-N 2.59Å; M125-C129 VanDerWaalsContact O-N 3.12Å; M125-C129 PolarHBondContact O-SG 3.02Å; M125-C129 VanDerWaalsContact O-SG 3.42Å; V126-C129 PolarHBondContact O-N 3.41Å; C129-Y132 PolarHBondContact O-N 2.9Å; C129-A133 PolarHBondContact O-N 3.28Å; C129-A133 VanDerWaalsContact O-N 3.09Å
130F84.1Confident80.9Confident11 Ų1140.4 Ų40.45%0.04820%0.2CC..Hα-helixtrans-74.6-36179.3-71.14.3000112.4I92 T96 F100 V126 I127 W128 Y132 A133 L134 A143 A146 L147I92-F130 HydrophobicContact CG2-CB 3.97Å; I92-F130 HydrophobicContact CG2-CD2 4.19Å; I92-F130 HydrophobicContact CG2-CG 4.13Å; T96-F130 HydrophobicContact CG2-CB 3.93Å; T96-F130 WeakPolarHBondContact OG1-CB 3.34Å; T96-F130 WeakPolarHBondContact OG1-CD2 3.39Å; F100-F130 HydrophobicContact CD2-CE2 4.49Å; F100-F130 HydrophobicContact CE2-CD2 4.4Å; F100-F130 AromaticContact CE2-CE2 3.95Å; F100-F130 HydrophobicContact CE2-CE2 3.95Å; V126-F130 HydrophobicContact CG1-CD1 4.45Å; V126-F130 HydrophobicContact CG1-CD2 4.01Å; V126-F130 HydrophobicContact CG1-CE1 4.27Å; V126-F130 HydrophobicContact CG1-CE2 3.82Å; V126-F130 HydrophobicContact CG1-CG 4.33Å; V126-F130 HydrophobicContact CG1-CZ 3.96Å; V126-F130 WeakPolarHBondContact O-CB 3.41Å; V126-F130 WeakPolarHBondContact O-CG 3.37Å; V126-F130 PolarHBondContact O-N 2.81Å; I127-F130 PolarHBondContact O-N 3.28Å; W128-F130 VanDerWaalsContact C-N 3.3Å; W128-F130 PolarHBondContact O-N 2.91Å; F130-Y132 VanDerWaalsContact C-N 3.33Å; F130-A133 PolarHBondContact O-N 2.84Å; F130-L134 WeakPolarHBondContact O-CB 3.48Å; F130-L134 VanDerWaalsContact O-CG 3.25Å; F130-L134 WeakPolarHBondContact O-CG 3.48Å; F130-L134 PolarHBondContact O-N 3.43Å; F130-A143 HydrophobicContact CD1-CB 3.77Å; F130-A143 HydrophobicContact CE1-CB 3.69Å; F130-A143 HydrophobicContact CZ-CB 4.43Å; F130-A146 HydrophobicContact CE1-CB 4.25Å; F130-A146 HydrophobicContact CZ-CB 4.42Å; F130-L147 HydrophobicContact CE2-CD1 4.33Å; F130-L147 HydrophobicContact CE2-CD2 3.81Å; F130-L147 HydrophobicContact CE2-CG 3.94Å; F130-L147 HydrophobicContact CZ-CD2 4.06Å; F130-L147 HydrophobicContact CZ-CG 3.86Å
131L82.7Confident80.9Confident49 Ų4939.6 Ų39.626%0.25720%0.195SC..Hα-helixtrans-60.6-44.8171.7-77.5174.5000110.7T96 I127 W128 A133 L134 Y135T96-L131 HydrophobicContact CG2-CD2 3.96Å; T96-L131 HydrophobicContact CG2-CG 3.87Å; I127-L131 HydrophobicContact CG2-CD1 3.7Å; I127-L131 HydrophobicContact CG2-CG 4.19Å; I127-L131 VanDerWaalsContact O-CB 3.32Å; I127-L131 WeakPolarHBondContact O-CB 3.38Å; I127-L131 VanDerWaalsContact O-CG 3.24Å; I127-L131 WeakPolarHBondContact O-CG 3.27Å; I127-L131 PolarHBondContact O-N 3.43Å; W128-L131 PolarHBondContact O-N 3.02Å; L131-A133 VanDerWaalsContact C-N 3.34Å; L131-A133 PolarHBondContact O-N 2.91Å; L131-L134 PolarHBondContact O-N 2.97Å; L131-L134 VanDerWaalsContact O-N 3.16Å; L131-Y135 HydrophobicContact CD2-CE2 4.35Å; L131-Y135 VanDerWaalsContact O-CD2 3.27Å; L131-Y135 WeakPolarHBondContact O-CD2 3.44Å; L131-Y135 PolarHBondContact O-N 3.16Å
132Y83Confident80.7Confident44 Ų4437.1 Ų37.117%0.17318%0.184CC..Hα-helixtrans-56.9-47.9175.2-178.2-82.6000111.5W128 C129 F130 L134 Y135 T136 Y139 F212W128-Y132 PolarHBondContact O-N 3.42Å; C129-Y132 PolarHBondContact O-N 2.9Å; F130-Y132 VanDerWaalsContact C-N 3.33Å; Y132-L134 VanDerWaalsContact C-N 3.29Å; Y132-L134 PolarHBondContact O-N 2.95Å; Y132-Y135 PolarHBondContact O-N 3.35Å; Y132-T136 HydrophobicContact CD1-CG2 4.1Å; Y132-T136 HydrophobicContact CD2-CG2 4.22Å; Y132-T136 HydrophobicContact CE1-CG2 3.8Å; Y132-T136 HydrophobicContact CE2-CG2 3.91Å; Y132-T136 HydrophobicContact CG-CG2 4.33Å; Y132-T136 WeakPolarHBondContact O-CB 3.27Å; Y132-T136 WeakPolarHBondContact O-CG2 3.4Å; Y132-T136 PolarHBondContact O-N 3.4Å; Y132-T136 PolarHBondContact O-OG1 3.24Å; Y132-Y139 HydrophobicContact CE1-CD2 4.14Å; Y132-Y139 HydrophobicContact CE1-CE2 4.18Å; Y132-F212 HydrophobicContact CD1-CE1 4.36Å; Y132-F212 HydrophobicContact CD1-CE2 4.21Å; Y132-F212 AromaticContact CD1-CZ 3.43Å; Y132-F212 HydrophobicContact CD1-CZ 3.43Å; Y132-F212 VanDerWaalsContact CD1-CZ 3.43Å; Y132-F212 HydrophobicContact CD2-CZ 4.41Å; Y132-F212 AromaticContact CE1-CE2 3.86Å; Y132-F212 HydrophobicContact CE1-CE2 3.86Å; Y132-F212 AromaticContact CE1-CZ 3.56Å; Y132-F212 HydrophobicContact CE1-CZ 3.56Å; Y132-F212 AromaticContact CG-CZ 3.87Å; Y132-F212 HydrophobicContact CG-CZ 3.87Å
133A80.9Confident80.5Confident4 Ų436.1 Ų36.13%0.03318%0.181CC..Hα-helixtrans-62.2-35.8177.800000112.6C129 F130 L131 Q137 L138 A143C129-A133 PolarHBondContact O-N 3.28Å; C129-A133 VanDerWaalsContact O-N 3.09Å; F130-A133 PolarHBondContact O-N 2.84Å; L131-A133 VanDerWaalsContact C-N 3.34Å; L131-A133 PolarHBondContact O-N 2.91Å; A133-Q137 WeakPolarHBondContact O-CA 3.49Å; A133-Q137 PolarHBondContact O-N 3.35Å; A133-L138 WeakPolarHBondContact CA-O 3.24Å; A133-L138 WeakPolarHBondContact CB-O 3.32Å; A133-A143 HydrophobicContact CB-CB 4.43Å
134L78.4Confident80.5Confident2 Ų235.6 Ų35.61%0.0118%0.178CC..Hα-helixtrans-71.1-38.8176.9-71.6172.5000113Y89 I92 C93 T96 F130 L131 Y132 Q137Y89-L134 HydrophobicContact CD2-CD2 3.77Å; Y89-L134 HydrophobicContact CE1-CD2 4.39Å; Y89-L134 HydrophobicContact CE2-CB 4.37Å; Y89-L134 HydrophobicContact CE2-CD2 3.34Å; Y89-L134 HydrophobicContact CE2-CG 4.44Å; Y89-L134 HydrophobicContact CG-CD2 4.45Å; Y89-L134 PolarHBondContact OH-O 3.06Å; I92-L134 HydrophobicContact CB-CD2 4.11Å; I92-L134 HydrophobicContact CG2-CD1 4.13Å; I92-L134 HydrophobicContact CG2-CD2 3.79Å; I92-L134 HydrophobicContact CG2-CG 3.8Å; C93-L134 HydrophobicContact CB-CD2 4.24Å; T96-L134 HydrophobicContact CG2-CD1 4.33Å; F130-L134 WeakPolarHBondContact O-CB 3.48Å; F130-L134 VanDerWaalsContact O-CG 3.25Å; F130-L134 WeakPolarHBondContact O-CG 3.48Å; F130-L134 PolarHBondContact O-N 3.43Å; L131-L134 PolarHBondContact O-N 2.97Å; L131-L134 VanDerWaalsContact O-N 3.16Å; Y132-L134 VanDerWaalsContact C-N 3.29Å; Y132-L134 PolarHBondContact O-N 2.95Å; L134-Q137 PolarHBondContact O-NE2 3.43Å
135Y78.2Confident80.5Confident151 Ų15133 Ų3359%0.59216%0.156SC*.Hα-helixtrans-76.4-44-180-86.9-73.1000112.4P12 L131 Y132 Q137P12-Y135 HydrophobicContact CG-CD1 3.96Å; P12-Y135 HydrophobicContact CG-CE1 3.71Å; L131-Y135 HydrophobicContact CD2-CE2 4.35Å; L131-Y135 VanDerWaalsContact O-CD2 3.27Å; L131-Y135 WeakPolarHBondContact O-CD2 3.44Å; L131-Y135 PolarHBondContact O-N 3.16Å; Y132-Y135 PolarHBondContact O-N 3.35Å; Y135-Q137 VanDerWaalsContact C-N 3.34Å
136T74.3Confident80.5Confident53 Ų5333.3 Ų33.333%0.32516%0.162SC..Hα-helixtrans-82-16.3-17960.60000112.8Y132 L138Y132-T136 HydrophobicContact CD1-CG2 4.1Å; Y132-T136 HydrophobicContact CD2-CG2 4.22Å; Y132-T136 HydrophobicContact CE1-CG2 3.8Å; Y132-T136 HydrophobicContact CE2-CG2 3.91Å; Y132-T136 HydrophobicContact CG-CG2 4.33Å; Y132-T136 WeakPolarHBondContact O-CB 3.27Å; Y132-T136 WeakPolarHBondContact O-CG2 3.4Å; Y132-T136 PolarHBondContact O-N 3.4Å; Y132-T136 PolarHBondContact O-OG1 3.24Å; T136-L138 PolarHBondContact O-N 2.71Å; T136-L138 VanDerWaalsContact O-N 3.07Å; T136-L138 PolarHBondContact OG1-N 3.11Å
137Q71.7Confident80.6Confident51 Ų5132.6 Ų32.624%0.23816%0.158CC..  trans58.311.7-170.8-54.4-76.4-44.900113.4Y89 A133 L134 Y135 I140Y89-Q137 PolarHBondContact OH-NE2 2.97Å; A133-Q137 WeakPolarHBondContact O-CA 3.49Å; A133-Q137 PolarHBondContact O-N 3.35Å; L134-Q137 PolarHBondContact O-NE2 3.43Å; Y135-Q137 VanDerWaalsContact C-N 3.34Å; Q137-I140 HydrophobicContact CB-CD1 4.43Å; Q137-I140 WeakPolarHBondContact O-CD1 3.35Å
138L71.6Confident80.6Confident56 Ų5632.4 Ų32.429%0.29316%0.156SC..  trans-98.1151.8177-62.7173.8000109.4A133 T136 I140A133-L138 WeakPolarHBondContact CA-O 3.24Å; A133-L138 WeakPolarHBondContact CB-O 3.32Å; T136-L138 PolarHBondContact O-N 2.71Å; T136-L138 VanDerWaalsContact O-N 3.07Å; T136-L138 PolarHBondContact OG1-N 3.11Å; L138-I140 PolarHBondContact O-N 3.42Å; L138-I140 VanDerWaalsContact O-N 3.17Å
139Y75.3Confident80.7Confident24 Ų2427.2 Ų27.29%0.09414%0.139CC..SBendtrans6220.6175.9-43.2-64.9000115.7H81 Y132 A141 G142 A143 L206H81-Y139 AromaticContact CE1-CE1 3.57Å; H81-Y139 AromaticContact CE1-CZ 3.85Å; H81-Y139 PolarHBondContact CE1-OH 2.84Å; H81-Y139 VanDerWaalsContact CE1-OH 3.27Å; H81-Y139 AromaticContact ND1-CE1 3.64Å; H81-Y139 AromaticContact NE2-CE1 3.88Å; H81-Y139 AromaticContact NE2-CZ 3.95Å; H81-Y139 PolarHBondContact NE2-OH 3.37Å; Y132-Y139 HydrophobicContact CE1-CD2 4.14Å; Y132-Y139 HydrophobicContact CE1-CE2 4.18Å; Y139-A141 VanDerWaalsContact C-N 3.26Å; Y139-A141 PolarHBondContact O-N 3.12Å; Y139-G142 WeakPolarHBondContact O-CA 3.48Å; Y139-G142 PolarHBondContact O-N 3.06Å; Y139-A143 PolarHBondContact O-N 3.31Å; Y139-L206 HydrophobicContact CD1-CD2 4.16Å; Y139-L206 HydrophobicContact CE1-CD2 3.28Å; Y139-L206 WeakPolarHBondContact OH-CD2 3.43Å
140I76.5Confident80.8Confident3 Ų326.3 Ų26.32%0.01513%0.132CC..Hα-helixtrans-54.6-43.7174.7-67.3171.3000110.6H84 Y89 I92 Q137 L138 G142 A143 L144H84-I140 HydrophobicContact CB-CD1 3.94Å; Y89-I140 HydrophobicContact CD2-CD1 3.75Å; Y89-I140 HydrophobicContact CD2-CG1 4.44Å; I92-I140 HydrophobicContact CD1-CB 4.25Å; I92-I140 HydrophobicContact CD1-CG2 3.64Å; I92-I140 WeakPolarHBondContact CD1-O 3.45Å; Q137-I140 HydrophobicContact CB-CD1 4.43Å; Q137-I140 WeakPolarHBondContact O-CD1 3.35Å; L138-I140 PolarHBondContact O-N 3.42Å; L138-I140 VanDerWaalsContact O-N 3.17Å; I140-G142 VanDerWaalsContact C-N 3.32Å; I140-G142 PolarHBondContact O-N 3.41Å; I140-A143 PolarHBondContact O-N 3.11Å; I140-L144 PolarHBondContact O-N 3.49Å
141A78.6Confident80.8Confident1 Ų127 Ų271%0.00814%0.137CC..Hα-helixtrans-65-34.1176.200000112.7Y139 L144 I145Y139-A141 VanDerWaalsContact C-N 3.26Å; Y139-A141 PolarHBondContact O-N 3.12Å; A141-L144 WeakPolarHBondContact O-CB 3.46Å; A141-L144 PolarHBondContact O-N 3.48Å; A141-I145 VanDerWaalsContact O-CG1 3.29Å; A141-I145 WeakPolarHBondContact O-CG1 3.33Å; A141-I145 PolarHBondContact O-N 3.34Å
142G80.6Confident81.1Confident7 Ų724.7 Ų24.77%0.07213%0.125CC..Hα-helixtrans-65.8-44.6173.800000112Y139 I140 L144 I145 A146Y139-G142 WeakPolarHBondContact O-CA 3.48Å; Y139-G142 PolarHBondContact O-N 3.06Å; I140-G142 VanDerWaalsContact C-N 3.32Å; I140-G142 PolarHBondContact O-N 3.41Å; G142-L144 VanDerWaalsContact C-N 3.3Å; G142-L144 PolarHBondContact O-N 3.03Å; G142-I145 PolarHBondContact O-N 2.96Å; G142-A146 PolarHBondContact O-N 3.49Å
143A82.7Confident81.2Confident8 Ų823 Ų237%0.06612%0.12CC..Hα-helixtrans-62.8-36.2174.400000112.4I92 F130 A133 Y139 I140 A146 L147I92-A143 HydrophobicContact CD1-CB 3.66Å; I92-A143 HydrophobicContact CG1-CB 4.09Å; F130-A143 HydrophobicContact CD1-CB 3.77Å; F130-A143 HydrophobicContact CE1-CB 3.69Å; F130-A143 HydrophobicContact CZ-CB 4.43Å; A133-A143 HydrophobicContact CB-CB 4.43Å; Y139-A143 PolarHBondContact O-N 3.31Å; I140-A143 PolarHBondContact O-N 3.11Å; A143-A146 PolarHBondContact O-N 3.28Å; A143-L147 PolarHBondContact O-N 3.06Å; A143-L147 VanDerWaalsContact O-N 3.14Å
144L84Confident81.3Confident0 Ų024.3 Ų24.30%013%0.127CC..Hα-helixtrans-61.2-46.9172.1179.271.9000112A66 C69 T76 L91 I140 A141 G142 A146 L147A66-L144 HydrophobicContact CB-CD1 4.05Å; C69-L144 HydrophobicContact CB-CD1 3.96Å; C69-L144 HydrophobicContact CB-CD2 3.91Å; T76-L144 HydrophobicContact CG2-CD2 4.04Å; L91-L144 HydrophobicContact CD2-CD1 3.54Å; I140-L144 PolarHBondContact O-N 3.49Å; A141-L144 WeakPolarHBondContact O-CB 3.46Å; A141-L144 PolarHBondContact O-N 3.48Å; G142-L144 VanDerWaalsContact C-N 3.3Å; G142-L144 PolarHBondContact O-N 3.03Å; L144-A146 VanDerWaalsContact C-N 3.29Å; L144-A146 PolarHBondContact O-N 2.95Å; L144-L147 WeakPolarHBondContact O-CB 3.34Å; L144-L147 PolarHBondContact O-N 3.13Å; L144-L147 VanDerWaalsContact O-N 3.15Å
145I83.6Confident81.4Confident4 Ų425 Ų252%0.02113%0.131CC..Hα-helixtrans-65.6-36.8178.1-63.9167.5000110.4L77 I80 A141 G142 L147 F148 T191 Y194 L195L77-I145 HydrophobicContact CD2-CD1 3.83Å; L77-I145 HydrophobicContact CD2-CG1 3.96Å; I80-I145 HydrophobicContact CD1-CD1 4.09Å; I80-I145 HydrophobicContact CG1-CD1 4.21Å; A141-I145 VanDerWaalsContact O-CG1 3.29Å; A141-I145 WeakPolarHBondContact O-CG1 3.33Å; A141-I145 PolarHBondContact O-N 3.34Å; G142-I145 PolarHBondContact O-N 2.96Å; I145-L147 PolarHBondContact O-N 2.84Å; I145-F148 VanDerWaalsContact O-CB 3.31Å; I145-F148 WeakPolarHBondContact O-CB 3.41Å; I145-F148 PolarHBondContact O-N 3.42Å; I145-F148 VanDerWaalsContact O-N 3.09Å; I145-T191 HydrophobicContact CG2-CG2 4.42Å; I145-Y194 HydrophobicContact CD1-CD1 4.43Å; I145-Y194 HydrophobicContact CD1-CE1 3.75Å; I145-Y194 HydrophobicContact CG2-CD1 4.17Å; I145-L195 HydrophobicContact CB-CD1 4.22Å; I145-L195 HydrophobicContact CG2-CD1 3.72Å; I145-L195 HydrophobicContact CG2-CG 4.38Å
146A86.4Confident81.6Confident28 Ų2820.1 Ų20.123%0.23112%0.115CC..Hα-helixtrans-61.4-31.3174.900000112.3F130 G142 A143 L144 F148 V149 L195F130-A146 HydrophobicContact CE1-CB 4.25Å; F130-A146 HydrophobicContact CZ-CB 4.42Å; G142-A146 PolarHBondContact O-N 3.49Å; A143-A146 PolarHBondContact O-N 3.28Å; L144-A146 VanDerWaalsContact C-N 3.29Å; L144-A146 PolarHBondContact O-N 2.95Å; A146-F148 VanDerWaalsContact C-N 3.26Å; A146-F148 PolarHBondContact O-N 3.39Å; A146-V149 WeakPolarHBondContact O-CB 3.31Å; A146-V149 WeakPolarHBondContact O-CG1 3.46Å; A146-V149 PolarHBondContact O-N 2.93Å; A146-L195 HydrophobicContact CB-CD1 4.18Å
147L86.4Confident82.1Confident2 Ų219 Ų191%0.0111%0.106CC..THydrogen-bonded Turntrans-71.2-12.5175.6-78.2170.6000114.3A66 L91 I92 F100 F130 A143 L144 I145 V149 E150A66-L147 HydrophobicContact CB-CB 4.21Å; L91-L147 HydrophobicContact CD2-CD1 4.11Å; L91-L147 HydrophobicContact CG-CD1 3.93Å; I92-L147 HydrophobicContact CG1-CD1 4.42Å; F100-L147 HydrophobicContact CE2-CD2 4.29Å; F130-L147 HydrophobicContact CE2-CD1 4.33Å; F130-L147 HydrophobicContact CE2-CD2 3.81Å; F130-L147 HydrophobicContact CE2-CG 3.94Å; F130-L147 HydrophobicContact CZ-CD2 4.06Å; F130-L147 HydrophobicContact CZ-CG 3.86Å; A143-L147 PolarHBondContact O-N 3.06Å; A143-L147 VanDerWaalsContact O-N 3.14Å; L144-L147 WeakPolarHBondContact O-CB 3.34Å; L144-L147 PolarHBondContact O-N 3.13Å; L144-L147 VanDerWaalsContact O-N 3.15Å; I145-L147 PolarHBondContact O-N 2.84Å; L147-V149 PolarHBondContact O-N 2.86Å; L147-V149 VanDerWaalsContact O-N 3.11Å; L147-E150 HydrophobicContact CD2-CG 4.02Å; L147-E150 VanDerWaalsContact O-CB 3.24Å; L147-E150 WeakPolarHBondContact O-CB 3.2Å; L147-E150 WeakPolarHBondContact O-CG 3.25Å; L147-E150 PolarHBondContact O-N 2.8Å
148F85.4Confident82.4Confident22 Ų2219.6 Ų19.610%0.09611%0.111CC..THydrogen-bonded Turntrans-60.6-22.7172.8-74.66.2000112.5A66 A70 I145 A146 E150 V151 F187 T191A66-F148 HydrophobicContact CB-CD1 3.74Å; A66-F148 HydrophobicContact CB-CE1 3.9Å; A70-F148 HydrophobicContact CB-CE1 4.02Å; A70-F148 HydrophobicContact CB-CZ 3.47Å; A70-F148 VanDerWaalsContact CB-CZ 3.47Å; I145-F148 VanDerWaalsContact O-CB 3.31Å; I145-F148 WeakPolarHBondContact O-CB 3.41Å; I145-F148 PolarHBondContact O-N 3.42Å; I145-F148 VanDerWaalsContact O-N 3.09Å; A146-F148 VanDerWaalsContact C-N 3.26Å; A146-F148 PolarHBondContact O-N 3.39Å; F148-E150 PolarHBondContact O-N 3.27Å; F148-E150 VanDerWaalsContact O-N 3.11Å; F148-V151 WeakPolarHBondContact O-CB 3.37Å; F148-V151 WeakPolarHBondContact O-CG2 3.27Å; F148-V151 PolarHBondContact O-N 3.43Å; F148-V151 VanDerWaalsContact O-N 3.08Å; F148-F187 HydrophobicContact CB-CD1 4.41Å; F148-T191 HydrophobicContact CB-CG2 3.64Å; F148-T191 HydrophobicContact CD2-CG2 3.71Å; F148-T191 HydrophobicContact CG-CG2 4.17Å
149V86.3Confident82.9Confident24 Ų2417.7 Ų17.715%0.14510%0.1CC..Hα-helixtrans-52-30.6171.483.90000112.3A146 L147 V151 N152 S153 R188A146-V149 WeakPolarHBondContact O-CB 3.31Å; A146-V149 WeakPolarHBondContact O-CG1 3.46Å; A146-V149 PolarHBondContact O-N 2.93Å; L147-V149 PolarHBondContact O-N 2.86Å; L147-V149 VanDerWaalsContact O-N 3.11Å; V149-V151 VanDerWaalsContact C-N 3.28Å; V149-V151 PolarHBondContact O-N 2.88Å; V149-N152 PolarHBondContact O-N 3.27Å; V149-N152 VanDerWaalsContact O-N 3.16Å; V149-S153 PolarHBondContact O-N 3.5Å; V149-S153 VanDerWaalsContact O-N 3.14Å; V149-S153 PolarHBondContact O-OG 2.89Å; V149-R188 HydrophobicContact CB-CG 4.47Å; V149-R188 HydrophobicContact CG2-CB 4.46Å; V149-R188 HydrophobicContact CG2-CG 3.28Å
150E85.5Confident83Confident8 Ų818.2 Ų18.24%0.03710%0.104CC..Hα-helixtrans-67.2-27.6-178-65.5-60147.800112.7S59 L147 F148 N152 S153 V154S59-E150 VanDerWaalsContact CB-OE2 3.28Å; S59-E150 WeakPolarHBondContact CB-OE2 3.48Å; S59-E150 PolarHBondContact OG-OE2 2.91Å; L147-E150 HydrophobicContact CD2-CG 4.02Å; L147-E150 VanDerWaalsContact O-CB 3.24Å; L147-E150 WeakPolarHBondContact O-CB 3.2Å; L147-E150 WeakPolarHBondContact O-CG 3.25Å; L147-E150 PolarHBondContact O-N 2.8Å; F148-E150 PolarHBondContact O-N 3.27Å; F148-E150 VanDerWaalsContact O-N 3.11Å; E150-N152 VanDerWaalsContact C-N 3.26Å; E150-N152 PolarHBondContact O-N 3Å; E150-S153 WeakPolarHBondContact O-CA 3.34Å; E150-S153 WeakPolarHBondContact O-CB 3.39Å; E150-S153 PolarHBondContact O-N 3.1Å; E150-S153 WeakPolarHBondContact OE2-CB 3.29Å; E150-V154 WeakPolarHBondContact O-CG2 3.36Å; E150-V154 PolarHBondContact O-N 2.9Å
151V85.1Confident83Confident26 Ų2619.2 Ų19.216%0.15811%0.109CC..Hα-helixtrans-59.9-40.9174-178.80000110.5L67 F148 V149 F187L67-V151 HydrophobicContact CD1-CG2 3.84Å; L67-V151 HydrophobicContact CD2-CG2 4.44Å; L67-V151 HydrophobicContact CG-CG2 4.04Å; F148-V151 WeakPolarHBondContact O-CB 3.37Å; F148-V151 WeakPolarHBondContact O-CG2 3.27Å; F148-V151 PolarHBondContact O-N 3.43Å; F148-V151 VanDerWaalsContact O-N 3.08Å; V149-V151 VanDerWaalsContact C-N 3.28Å; V149-V151 PolarHBondContact O-N 2.88Å; V151-F187 HydrophobicContact CB-CB 4.44Å; V151-F187 HydrophobicContact CB-CD1 4.4Å; V151-F187 HydrophobicContact CB-CD2 4.39Å; V151-F187 HydrophobicContact CB-CG 4.17Å; V151-F187 HydrophobicContact CG1-CD2 3.96Å; V151-F187 HydrophobicContact CG1-CE2 4.05Å; V151-F187 HydrophobicContact CG1-CG 4.22Å; V151-F187 HydrophobicContact CG1-CZ 4.39Å; V151-F187 HydrophobicContact CG2-CD1 4.5Å
152N88.4Confident82.8Confident0 Ų020.7 Ų20.70%012%0.116CC..Hα-helixtrans-71-40.6172.7172.9-111.9000111.4V149 E150 V154 T155 L156 N180 T183 Y184 R188V149-N152 PolarHBondContact O-N 3.27Å; V149-N152 VanDerWaalsContact O-N 3.16Å; E150-N152 VanDerWaalsContact C-N 3.26Å; E150-N152 PolarHBondContact O-N 3Å; N152-V154 PolarHBondContact O-N 3.31Å; N152-T155 PolarHBondContact O-N 3.46Å; N152-T155 PolarHBondContact O-OG1 3.41Å; N152-L156 PolarHBondContact O-N 3.06Å; N152-N180 PolarHBondContact ND2-O 2.75Å; N152-N180 VanDerWaalsContact ND2-O 3.13Å; N152-N180 PolarHBondContact ND2-OD1 3.45Å; N152-T183 PolarHBondContact ND2-OG1 3.3Å; N152-Y184 WeakPolarHBondContact ND2-CA 3.22Å; N152-Y184 PolarHBondContact ND2-N 2.97Å; N152-Y184 VanDerWaalsContact ND2-N 3.19Å; N152-Y184 WeakPolarHBondContact OD1-CD2 3.32Å; N152-R188 HydrophobicContact CB-CB 4.49Å; N152-R188 HydrophobicContact CB-CG 4.37Å; N152-R188 WeakPolarHBondContact OD1-CD 3.46Å; N152-R188 PolarHBondContact OD1-NH1 3.33Å
153S84.7Confident82.6Confident10 Ų1022.6 Ų22.67%0.0712%0.123CC..Hα-helixtrans-54.3-35.3178.4-600000112.9S59 V149 E150 T155 L156 H157S59-S153 WeakPolarHBondContact OG-CB 3.47Å; V149-S153 PolarHBondContact O-N 3.5Å; V149-S153 VanDerWaalsContact O-N 3.14Å; V149-S153 PolarHBondContact O-OG 2.89Å; E150-S153 WeakPolarHBondContact O-CA 3.34Å; E150-S153 WeakPolarHBondContact O-CB 3.39Å; E150-S153 PolarHBondContact O-N 3.1Å; E150-S153 WeakPolarHBondContact OE2-CB 3.29Å; S153-T155 PolarHBondContact O-N 3.01Å; S153-L156 PolarHBondContact O-N 3.11Å; S153-H157 WeakPolarHBondContact O-CB 3.4Å; S153-H157 PolarHBondContact O-CD2 3.36Å; S153-H157 PolarHBondContact O-N 2.82Å
154V83.3Confident82Confident31 Ų3123 Ų2319%0.18812%0.124CC..Hα-helixtrans-54.4-51.9173.1177.60000111.7S59 V60 E150 N152 L156 H157 L158S59-V154 VanDerWaalsContact C-CG2 3.49Å; V60-V154 HydrophobicContact CB-CG2 4.34Å; V60-V154 HydrophobicContact CG2-CB 4.36Å; V60-V154 HydrophobicContact CG2-CG1 3.72Å; V60-V154 HydrophobicContact CG2-CG2 3.63Å; E150-V154 WeakPolarHBondContact O-CG2 3.36Å; E150-V154 PolarHBondContact O-N 2.9Å; N152-V154 PolarHBondContact O-N 3.31Å; V154-L156 VanDerWaalsContact C-N 3.33Å; V154-L156 PolarHBondContact O-N 3.29Å; V154-H157 PolarHBondContact O-N 2.98Å; V154-L158 WeakPolarHBondContact O-CB 3.15Å; V154-L158 PolarHBondContact O-N 2.96Å
155T81.1Confident81.3Confident16 Ų1624.5 Ų24.510%0.09814%0.136CC..Hα-helixtrans-69.8-32.9-177.563.60000111.9N152 S153 R159 N176 V179 N180 T183N152-T155 PolarHBondContact O-N 3.46Å; N152-T155 PolarHBondContact O-OG1 3.41Å; S153-T155 PolarHBondContact O-N 3.01Å; T155-R159 WeakPolarHBondContact O-CB 3.22Å; T155-R159 PolarHBondContact O-N 3.11Å; T155-N176 PolarHBondContact O-ND2 2.91Å; T155-V179 HydrophobicContact CG2-CG1 3.9Å; T155-N180 WeakPolarHBondContact OG1-CA 3.36Å; T155-N180 PolarHBondContact OG1-OD1 2.85Å; T155-T183 PolarHBondContact OG1-OG1 3.46Å
156L83.1Confident80.8Confident48 Ų4829.7 Ų29.725%0.25116%0.164SC..Hα-helixtrans-67-46.6174-172.273.7000111.9N152 S153 V154 R159 L160 N180N152-L156 PolarHBondContact O-N 3.06Å; S153-L156 PolarHBondContact O-N 3.11Å; V154-L156 VanDerWaalsContact C-N 3.33Å; V154-L156 PolarHBondContact O-N 3.29Å; L156-R159 WeakPolarHBondContact O-CB 3.45Å; L156-R159 PolarHBondContact O-N 3.39Å; L156-L160 PolarHBondContact O-N 3.36Å; L156-N180 PolarHBondContact N-OD1 2.96Å
157H83.1Confident80Confident30 Ų3029.9 Ų29.914%0.13917%0.165CC..Hα-helixtrans-64.4-43.4178-68.9-45.2000110.9L52 M56 S153 V154 R159 L160 M161L52-H157 HydrophobicContact CD1-CB 3.83Å; L52-H157 WeakPolarHBondContact CD1-ND1 3.49Å; L52-H157 HydrophobicContact CG-CB 4.35Å; M56-H157 HydrophobicContact CB-CB 4.11Å; M56-H157 HydrophobicContact CG-CB 4.45Å; S153-H157 WeakPolarHBondContact O-CB 3.4Å; S153-H157 PolarHBondContact O-CD2 3.36Å; S153-H157 PolarHBondContact O-N 2.82Å; V154-H157 PolarHBondContact O-N 2.98Å; H157-R159 VanDerWaalsContact C-N 3.31Å; H157-R159 PolarHBondContact O-N 3.14Å; H157-L160 PolarHBondContact O-N 3.15Å; H157-L160 VanDerWaalsContact O-N 3.16Å; H157-M161 WeakPolarHBondContact O-CG 3.42Å; H157-M161 PolarHBondContact O-N 3.31Å
158L79.3Confident79.1Confident63 Ų6333.9 Ų33.933%0.3318%0.184SC..Hα-helixtrans-58.2-42.4173.3-178.259.4000111.9M56 V154 L160 M161 L162M56-L158 HydrophobicContact CE-CB 4.26Å; M56-L158 HydrophobicContact CE-CD1 4.2Å; V154-L158 WeakPolarHBondContact O-CB 3.15Å; V154-L158 PolarHBondContact O-N 2.96Å; L158-L160 PolarHBondContact O-N 3.11Å; L158-M161 PolarHBondContact O-N 3.34Å; L158-L162 HydrophobicContact CD1-CD1 4.49Å; L158-L162 HydrophobicContact CG-CD1 4.27Å; L158-L162 VanDerWaalsContact O-CG 3.31Å; L158-L162 WeakPolarHBondContact O-CG 3.48Å; L158-L162 PolarHBondContact O-N 2.83Å
159R81.3Confident77.9Confident17 Ų1738.2 Ų38.26%0.06422%0.217CC..Hα-helixtrans-60.5-46.1175.6179.5177.5163.5-93.12.4111.2T155 L156 H157 L162 K163 Y173 N176 L230 T233 D234T155-R159 WeakPolarHBondContact O-CB 3.22Å; T155-R159 PolarHBondContact O-N 3.11Å; L156-R159 WeakPolarHBondContact O-CB 3.45Å; L156-R159 PolarHBondContact O-N 3.39Å; H157-R159 VanDerWaalsContact C-N 3.31Å; H157-R159 PolarHBondContact O-N 3.14Å; R159-L162 PolarHBondContact O-N 3.13Å; R159-K163 WeakPolarHBondContact O-CB 3.42Å; R159-K163 PolarHBondContact O-N 3.35Å; R159-Y173 HydrophobicContact CG-CE2 3.82Å; R159-N176 VanDerWaalsContact CA-ND2 3.34Å; R159-N176 WeakPolarHBondContact CA-ND2 3.43Å; R159-N176 WeakPolarHBondContact CB-ND2 3.46Å; R159-N176 PolarHBondContact N-ND2 3.09Å; R159-N176 VanDerWaalsContact N-ND2 3.12Å; R159-L230 VanDerWaalsContact NH1-CD1 3.31Å; R159-T233 PolarHBondContact NH2-OG1 3.3Å; R159-D234 IonicContact CZ-OD1 2.87Å; R159-D234 IonicContact CZ-OD2 3.1Å; R159-D234 IonicContact NE-OD1 3.43Å; R159-D234 PolarHBondContact NE-OD1 3.14Å; R159-D234 IonicContact NE-OD2 3.54Å; R159-D234 PolarHBondContact NE-OD2 3.16Å; R159-D234 VanDerWaalsContact NH2-CG 3.28Å; R159-D234 IonicContact NH2-OD1 3.68Å; R159-D234 PolarHBondContact NH2-OD1 2.84Å; R159-D234 IonicContact NH2-OD2 3.38Å; R159-D234 PolarHBondContact NH2-OD2 3.06Å
160L77.6Confident77.3Confident35 Ų3538.8 Ų38.818%0.18322%0.222CC..Hα-helixtrans-68.1-36.4-178.6-176.761.7000111.6L52 L156 H157 L158 K163 L164L52-L160 HydrophobicContact CD1-CB 4.49Å; L52-L160 HydrophobicContact CD1-CD2 3.87Å; L52-L160 HydrophobicContact CD1-CG 4.5Å; L52-L160 HydrophobicContact CD2-CB 3.75Å; L52-L160 HydrophobicContact CD2-CD2 3.77Å; L52-L160 HydrophobicContact CD2-CG 3.59Å; L156-L160 PolarHBondContact O-N 3.36Å; H157-L160 PolarHBondContact O-N 3.15Å; H157-L160 VanDerWaalsContact O-N 3.16Å; L158-L160 PolarHBondContact O-N 3.11Å; L160-K163 HydrophobicContact CD1-CD 4.46Å; L160-K163 PolarHBondContact O-N 3.08Å; L160-L164 HydrophobicContact CG-CD1 4.45Å; L160-L164 WeakPolarHBondContact O-CB 3.43Å; L160-L164 VanDerWaalsContact O-CG 3.29Å; L160-L164 WeakPolarHBondContact O-CG 3.33Å; L160-L164 PolarHBondContact O-N 2.91Å
161M76Confident76.8Confident23 Ų2342.5 Ų42.511%0.11325%0.249CC..Hα-helixtrans-61.5-48.1171.2-70.3-179.976.700110.7W49 L52 S53 M56 H157 L158 K163 L164 A165W49-M161 HydrophobicContact CD2-CE 4.08Å; W49-M161 HydrophobicContact CE3-CB 4.4Å; W49-M161 HydrophobicContact CE3-CE 4.37Å; W49-M161 HydrophobicContact CE3-CG 4.46Å; W49-M161 HydrophobicContact CH2-CB 4.05Å; W49-M161 HydrophobicContact CH2-CE 3.63Å; W49-M161 HydrophobicContact CZ2-CE 3.26Å; W49-M161 HydrophobicContact CZ3-CB 3.81Å; W49-M161 HydrophobicContact CZ3-CE 4.17Å; W49-M161 HydrophobicContact CZ3-CG 4.29Å; W49-M161 WeakPolarHBondContact CZ3-O 3.08Å; L52-M161 HydrophobicContact CB-CG 4.47Å; L52-M161 HydrophobicContact CD2-CB 4.26Å; L52-M161 HydrophobicContact CD2-CG 3.34Å; L52-M161 HydrophobicContact CG-CG 3.72Å; L52-M161 HydrophobicContact CG-SD 4.43Å; S53-M161 WeakPolarHBondContact OG-CE 3.48Å; M56-M161 HydrophobicContact SD-SD 3.71Å; H157-M161 WeakPolarHBondContact O-CG 3.42Å; H157-M161 PolarHBondContact O-N 3.31Å; L158-M161 PolarHBondContact O-N 3.34Å; M161-K163 VanDerWaalsContact C-N 3.31Å; M161-K163 PolarHBondContact O-N 3.15Å; M161-L164 CarbonylContact O-C 3.56Å; M161-L164 PolarHBondContact O-N 3.27Å; M161-L164 VanDerWaalsContact O-N 3.08Å; M161-A165 WeakPolarHBondContact O-CB 3.31Å; M161-A165 PolarHBondContact O-N 2.95Å
162L75.8Confident76.4Confident32 Ų3248 Ų4817%0.16828%0.275CS..Hα-helixtrans-60.7-38.7177-69.9169.3000112.6L158 R159 A165 N166 A167 Y173L158-L162 HydrophobicContact CD1-CD1 4.49Å; L158-L162 HydrophobicContact CG-CD1 4.27Å; L158-L162 VanDerWaalsContact O-CG 3.31Å; L158-L162 WeakPolarHBondContact O-CG 3.48Å; L158-L162 PolarHBondContact O-N 2.83Å; R159-L162 PolarHBondContact O-N 3.13Å; L162-A165 PolarHBondContact O-N 3.22Å; L162-N166 PolarHBondContact O-N 3.19Å; L162-A167 HydrophobicContact CD2-CB 4.26Å; L162-A167 PolarHBondContact O-N 2.8Å; L162-Y173 HydrophobicContact CB-CD2 4.12Å
163K75.4Confident75.9Confident48 Ų4849.1 Ų49.121%0.20928%0.279CS..Hα-helixtrans-63.1-42.5173-175.3176.6179.1-168.50111.2R159 L160 M161 N166 D259R159-K163 WeakPolarHBondContact O-CB 3.42Å; R159-K163 PolarHBondContact O-N 3.35Å; L160-K163 HydrophobicContact CD1-CD 4.46Å; L160-K163 PolarHBondContact O-N 3.08Å; M161-K163 VanDerWaalsContact C-N 3.31Å; M161-K163 PolarHBondContact O-N 3.15Å; K163-N166 PolarHBondContact O-N 3.2Å; K163-D259 IonicContact NZ-OD1 3.64Å; K163-D259 PolarHBondContact NZ-OD1 3.34Å
164L69.8Low75.5Confident16 Ų1653.7 Ų53.78%0.08430%0.299CS..Hα-helixtrans-69-31.2176.3-72.5171.9000113R45 K48 W49 L52 L160 M161 N166R45-L164 PolarHBondContact NH2-O 2.76Å; K48-L164 HydrophobicContact CD-CD1 4.13Å; K48-L164 HydrophobicContact CD-CD2 4.32Å; K48-L164 HydrophobicContact CG-CD1 4Å; W49-L164 HydrophobicContact CE3-CB 4.22Å; W49-L164 HydrophobicContact CZ3-CB 4.47Å; L52-L164 HydrophobicContact CD2-CD1 4.02Å; L160-L164 HydrophobicContact CG-CD1 4.45Å; L160-L164 WeakPolarHBondContact O-CB 3.43Å; L160-L164 VanDerWaalsContact O-CG 3.29Å; L160-L164 WeakPolarHBondContact O-CG 3.33Å; L160-L164 PolarHBondContact O-N 2.91Å; M161-L164 CarbonylContact O-C 3.56Å; M161-L164 PolarHBondContact O-N 3.27Å; M161-L164 VanDerWaalsContact O-N 3.08Å; L164-N166 PolarHBondContact O-N 3.03Å
165A70.7Confident75.5Confident32 Ų3257 Ų5726%0.26432%0.315SS..THydrogen-bonded Turntrans-790.7174.100000113.5W49 M161 L162 A167W49-A165 HydrophobicContact CH2-CB 4.47Å; W49-A165 HydrophobicContact CZ3-CB 4.15Å; M161-A165 WeakPolarHBondContact O-CB 3.31Å; M161-A165 PolarHBondContact O-N 2.95Å; L162-A165 PolarHBondContact O-N 3.22Å; A165-A167 HydrophobicContact CB-CB 4.48Å; A165-A167 PolarHBondContact O-N 3.44Å
166N71.4Confident75.6Confident113 Ų11356.9 Ų56.960%0.60431%0.314SS*.THydrogen-bonded Turntrans59.123.9-175.7-152.743.4000114L162 K163 L164 Q168L162-N166 PolarHBondContact O-N 3.19Å; K163-N166 PolarHBondContact O-N 3.2Å; L164-N166 PolarHBondContact O-N 3.03Å; N166-Q168 VanDerWaalsContact C-N 3.26Å; N166-Q168 PolarHBondContact O-N 3.21Å
167A70.9Confident75.5Confident31 Ų3156.5 Ų56.526%0.25631%0.31SS..  trans-91.633.3-176.700000112.7L162 A165 S169 S170L162-A167 HydrophobicContact CD2-CB 4.26Å; L162-A167 PolarHBondContact O-N 2.8Å; A165-A167 HydrophobicContact CB-CB 4.48Å; A165-A167 PolarHBondContact O-N 3.44Å; A167-S169 VanDerWaalsContact C-N 3.25Å; A167-S169 PolarHBondContact O-N 3.37Å; A167-S170 WeakPolarHBondContact O-CB 3.33Å; A167-S170 PolarHBondContact O-N 2.88Å; A167-S170 PolarHBondContact O-OG 3.24Å
168Q66.3Low75.5Confident87 Ų8761 Ų6141%0.40733%0.333SS..THydrogen-bonded Turntrans-68.6-21.1-172.5-63.2-174.8-46.500113.8N166 S170 Y173N166-Q168 VanDerWaalsContact C-N 3.26Å; N166-Q168 PolarHBondContact O-N 3.21Å; Q168-S170 VanDerWaalsContact C-N 3.34Å; Q168-Y173 WeakPolarHBondContact O-CD1 3.19Å
169S61.7Low75.8Confident112 Ų11260.8 Ų60.878%0.78334%0.335SS*.THydrogen-bonded Turntrans-86-2.3177.753.80000113.9A167A167-S169 VanDerWaalsContact C-N 3.25Å; A167-S169 PolarHBondContact O-N 3.37Å
170S74Confident76.1Confident36 Ų3660 Ų6025%0.25233%0.332SS..SBendtrans-76.8144.7-17866.40000111.9A167 Q168 M172 Y173A167-S170 WeakPolarHBondContact O-CB 3.33Å; A167-S170 PolarHBondContact O-N 2.88Å; A167-S170 PolarHBondContact O-OG 3.24Å; Q168-S170 VanDerWaalsContact C-N 3.34Å; S170-M172 PolarHBondContact O-N 3.38Å; S170-Y173 WeakPolarHBondContact O-CB 3.39Å; S170-Y173 PolarHBondContact O-N 2.91Å; S170-Y173 PolarHBondContact OG-N 3.32Å
171S73.6Confident76.5Confident87 Ų8760.9 Ų60.961%0.60834%0.336SS*.Hα-helixtrans-55.4-33.5172.4-1770000112.1Y173 H174 I175S171-Y173 VanDerWaalsContact C-N 3.29Å; S171-Y173 PolarHBondContact O-N 2.7Å; S171-H174 PolarHBondContact O-N 2.9Å; S171-I175 WeakPolarHBondContact O-CG1 3.44Å; S171-I175 PolarHBondContact O-N 3.32Å
172M76.3Confident77Confident142 Ų14266 Ų6670%0.736%0.358SS*.Hα-helixtrans-61.4-34.3175.3-60-156.996.200113.1S170 N176S170-M172 PolarHBondContact O-N 3.38Å; M172-N176 WeakPolarHBondContact O-CB 3.36Å; M172-N176 PolarHBondContact O-N 3.36Å
173Y78.1Confident77.5Confident22 Ų2265.1 Ų65.19%0.08635%0.354CS..Hα-helixtrans-66.8-41.2175.8-177.1-96.6000111.7R159 L162 Q168 S170 S171 N176 K177 D234R159-Y173 HydrophobicContact CG-CE2 3.82Å; L162-Y173 HydrophobicContact CB-CD2 4.12Å; Q168-Y173 WeakPolarHBondContact O-CD1 3.19Å; S170-Y173 WeakPolarHBondContact O-CB 3.39Å; S170-Y173 PolarHBondContact O-N 2.91Å; S170-Y173 PolarHBondContact OG-N 3.32Å; S171-Y173 VanDerWaalsContact C-N 3.29Å; S171-Y173 PolarHBondContact O-N 2.7Å; Y173-N176 PolarHBondContact O-N 2.94Å; Y173-K177 WeakPolarHBondContact O-CB 3.3Å; Y173-K177 PolarHBondContact O-N 3.31Å; Y173-D234 PolarHBondContact OH-OD1 3.22Å
174H77.4Confident78.1Confident107 Ų10763 Ų6350%0.49535%0.345SS..Hα-helixtrans-67.2-44.3178.7-70.8-71.2000112.6S171 K177 I178S171-H174 PolarHBondContact O-N 2.9Å; H174-K177 WeakPolarHBondContact O-CB 3.18Å; H174-K177 PolarHBondContact O-N 3.38Å; H174-I178 PolarHBondContact O-N 2.89Å
175I83.1Confident78.9Confident101 Ų10165.5 Ų65.552%0.51836%0.361SS..Hα-helixtrans-61.5-48.7175.2-65165.7000109.6S171 K177 I178 V179S171-I175 WeakPolarHBondContact O-CG1 3.44Å; S171-I175 PolarHBondContact O-N 3.32Å; I175-K177 VanDerWaalsContact C-N 3.26Å; I175-K177 PolarHBondContact O-N 3.09Å; I175-I178 PolarHBondContact O-N 2.9Å; I175-I178 VanDerWaalsContact O-N 3.11Å; I175-V179 HydrophobicContact CG2-CG2 4.19Å; I175-V179 WeakPolarHBondContact O-CG2 3.28Å; I175-V179 PolarHBondContact O-N 3.5Å
176N83.7Confident79.7Confident13 Ų1369.2 Ų69.27%0.0737%0.374CS..Hα-helixtrans-63.2-32.2-179.7-169.451.9000112.5T155 R159 M172 Y173 N180T155-N176 PolarHBondContact O-ND2 2.91Å; R159-N176 VanDerWaalsContact CA-ND2 3.34Å; R159-N176 WeakPolarHBondContact CA-ND2 3.43Å; R159-N176 WeakPolarHBondContact CB-ND2 3.46Å; R159-N176 PolarHBondContact N-ND2 3.09Å; R159-N176 VanDerWaalsContact N-ND2 3.12Å; M172-N176 WeakPolarHBondContact O-CB 3.36Å; M172-N176 PolarHBondContact O-N 3.36Å; Y173-N176 PolarHBondContact O-N 2.94Å; N176-N180 WeakPolarHBondContact O-CB 3.36Å; N176-N180 PolarHBondContact O-N 3.36Å
177K80.6Confident80.4Confident39 Ų3966.5 Ų66.517%0.1736%0.357CS..Hα-helixtrans-60.6-46.2172.7173.9179.8160.1177.30111.8Y173 H174 I175 L181 D234Y173-K177 WeakPolarHBondContact O-CB 3.3Å; Y173-K177 PolarHBondContact O-N 3.31Å; H174-K177 WeakPolarHBondContact O-CB 3.18Å; H174-K177 PolarHBondContact O-N 3.38Å; I175-K177 VanDerWaalsContact C-N 3.26Å; I175-K177 PolarHBondContact O-N 3.09Å; K177-L181 PolarHBondContact O-N 3.49Å; K177-D234 HydrophobicContact CD-CB 4.03Å; K177-D234 PolarHBondContact NZ-O 2.69Å
178I83.6Confident81.1Confident124 Ų12466.5 Ų66.564%0.63635%0.35SS*.Hα-helixtrans-67.3-46.3179.7-63.3172.4000110.3H174 I175 N180 L181 F182H174-I178 PolarHBondContact O-N 2.89Å; I175-I178 PolarHBondContact O-N 2.9Å; I175-I178 VanDerWaalsContact O-N 3.11Å; I178-N180 VanDerWaalsContact C-N 3.33Å; I178-N180 PolarHBondContact O-N 2.88Å; I178-L181 PolarHBondContact O-N 2.88Å; I178-F182 PolarHBondContact O-N 3.41Å
179V85.6Confident82.1Confident60 Ų6065 Ų6536%0.36435%0.345SS..Hα-helixtrans-62.6-40.8178.2177.90000111.1T155 I175 F182 T183T155-V179 HydrophobicContact CG2-CG1 3.9Å; I175-V179 HydrophobicContact CG2-CG2 4.19Å; I175-V179 WeakPolarHBondContact O-CG2 3.28Å; I175-V179 PolarHBondContact O-N 3.5Å; V179-F182 PolarHBondContact O-N 3.31Å; V179-T183 HydrophobicContact CG1-CG2 4.17Å; V179-T183 WeakPolarHBondContact O-CB 3.29Å; V179-T183 VanDerWaalsContact O-CG2 3.31Å; V179-T183 WeakPolarHBondContact O-CG2 3.46Å; V179-T183 PolarHBondContact O-N 3.49Å; V179-T183 PolarHBondContact O-OG1 2.88Å
180N87.2Confident83.2Confident1 Ų161.3 Ų61.31%0.00533%0.325CS..Hα-helixtrans-62.4-43.1175.3177.367.4000111.4N152 T155 L156 N176 I178 T183 Y184 L230N152-N180 PolarHBondContact ND2-O 2.75Å; N152-N180 VanDerWaalsContact ND2-O 3.13Å; N152-N180 PolarHBondContact ND2-OD1 3.45Å; T155-N180 WeakPolarHBondContact OG1-CA 3.36Å; T155-N180 PolarHBondContact OG1-OD1 2.85Å; L156-N180 PolarHBondContact N-OD1 2.96Å; N176-N180 WeakPolarHBondContact O-CB 3.36Å; N176-N180 PolarHBondContact O-N 3.36Å; I178-N180 VanDerWaalsContact C-N 3.33Å; I178-N180 PolarHBondContact O-N 2.88Å; N180-T183 WeakPolarHBondContact CA-OG1 3.39Å; N180-T183 PolarHBondContact O-OG1 3.16Å; N180-Y184 WeakPolarHBondContact O-CB 3.42Å; N180-Y184 PolarHBondContact O-N 3.32Å; N180-L230 WeakPolarHBondContact ND2-CD2 3.4Å
181L85.4Confident83.9Confident52 Ų5260.2 Ų60.227%0.27232%0.316SS..Hα-helixtrans-62.6-45.7176.3-178.362.5000111.8K177 I178 Y184 V185 F227 L231 F235K177-L181 PolarHBondContact O-N 3.49Å; I178-L181 PolarHBondContact O-N 2.88Å; L181-Y184 WeakPolarHBondContact O-CB 3.43Å; L181-Y184 PolarHBondContact O-N 2.92Å; L181-V185 PolarHBondContact O-N 3.03Å; L181-F227 HydrophobicContact CD1-CE2 3.74Å; L181-F227 HydrophobicContact CD1-CZ 4.15Å; L181-L231 HydrophobicContact CD1-CD2 4.22Å; L181-F235 HydrophobicContact CD2-CE2 4.34Å; L181-F235 HydrophobicContact CD2-CZ 4.08Å
182F87.4Confident84.5Confident130 Ų13056.9 Ų56.957%0.5729%0.291SS*.Hα-helixtrans-62.1-51.5179.3176.2-100.3000112I178 V179 Y184 V185 M186I178-F182 PolarHBondContact O-N 3.41Å; V179-F182 PolarHBondContact O-N 3.31Å; F182-Y184 PolarHBondContact O-N 3.4Å; F182-V185 PolarHBondContact O-N 3.39Å; F182-M186 HydrophobicContact CD2-CG 4.39Å; F182-M186 HydrophobicContact CE1-CG 4.17Å; F182-M186 HydrophobicContact CE2-CG 3.94Å; F182-M186 HydrophobicContact CZ-CG 3.82Å; F182-M186 PolarHBondContact O-N 3.27Å; F182-M186 VanDerWaalsContact O-N 3.09Å
183T86.4Confident85.1Confident14 Ų1457.1 Ų57.19%0.08629%0.288CS..Hα-helixtrans-64.2-31.2178.955.30000111.8N152 T155 V179 N180 F187N152-T183 PolarHBondContact ND2-OG1 3.3Å; T155-T183 PolarHBondContact OG1-OG1 3.46Å; V179-T183 HydrophobicContact CG1-CG2 4.17Å; V179-T183 WeakPolarHBondContact O-CB 3.29Å; V179-T183 VanDerWaalsContact O-CG2 3.31Å; V179-T183 WeakPolarHBondContact O-CG2 3.46Å; V179-T183 PolarHBondContact O-N 3.49Å; V179-T183 PolarHBondContact O-OG1 2.88Å; N180-T183 WeakPolarHBondContact CA-OG1 3.39Å; N180-T183 PolarHBondContact O-OG1 3.16Å; T183-F187 HydrophobicContact CG2-CD2 4.29Å; T183-F187 WeakPolarHBondContact O-CB 3.3Å; T183-F187 PolarHBondContact O-N 2.93Å
184Y86.7Confident85.6Confident4 Ų459.2 Ų59.22%0.01630%0.297CS..Iπ-helixtrans-63-45.3175.5-166.2-80.2000111.7N152 N180 L181 F182 R188 L189 M223 F227N152-Y184 WeakPolarHBondContact ND2-CA 3.22Å; N152-Y184 PolarHBondContact ND2-N 2.97Å; N152-Y184 VanDerWaalsContact ND2-N 3.19Å; N152-Y184 WeakPolarHBondContact OD1-CD2 3.32Å; N180-Y184 WeakPolarHBondContact O-CB 3.42Å; N180-Y184 PolarHBondContact O-N 3.32Å; L181-Y184 WeakPolarHBondContact O-CB 3.43Å; L181-Y184 PolarHBondContact O-N 2.92Å; F182-Y184 PolarHBondContact O-N 3.4Å; Y184-R188 HydrophobicContact CD1-CB 4.41Å; Y184-R188 HydrophobicContact CD2-CB 4.45Å; Y184-R188 VanDerWaalsContact CD2-CD 3.45Å; Y184-R188 HydrophobicContact CE2-CG 4.48Å; Y184-R188 HydrophobicContact CG-CB 4.29Å; Y184-R188 WeakPolarHBondContact O-CA 3.33Å; Y184-R188 WeakPolarHBondContact O-CB 3.36Å; Y184-R188 PolarHBondContact O-N 3.47Å; Y184-L189 HydrophobicContact CD1-CD1 4.28Å; Y184-L189 HydrophobicContact CD1-CG 4.11Å; Y184-L189 HydrophobicContact CE1-CD1 4.28Å; Y184-L189 HydrophobicContact CE1-CD2 4.12Å; Y184-L189 HydrophobicContact CE1-CG 3.96Å; Y184-L189 PolarHBondContact O-N 3.36Å; Y184-M223 VanDerWaalsContact OH-CG 3.28Å; Y184-M223 WeakPolarHBondContact OH-CG 3.48Å; Y184-M223 PolarHBondContact OH-O 2.65Å; Y184-F227 AromaticContact CD1-CD2 3.43Å; Y184-F227 HydrophobicContact CD1-CD2 3.43Å; Y184-F227 VanDerWaalsContact CD1-CD2 3.43Å; Y184-F227 AromaticContact CD1-CE2 3.79Å; Y184-F227 HydrophobicContact CD1-CE2 3.79Å; Y184-F227 HydrophobicContact CD1-CG 4.26Å; Y184-F227 HydrophobicContact CE1-CB 3.68Å; Y184-F227 AromaticContact CE1-CD2 3.26Å; Y184-F227 HydrophobicContact CE1-CD2 3.26Å; Y184-F227 HydrophobicContact CE1-CE2 4.06Å; Y184-F227 AromaticContact CE1-CG 3.67Å; Y184-F227 HydrophobicContact CE1-CG 3.67Å; Y184-F227 HydrophobicContact CG-CD2 4.17Å; Y184-F227 HydrophobicContact CG-CE2 4.48Å; Y184-F227 AromaticContact CZ-CD2 3.86Å
185V87.1Confident86Confident69 Ų6955 Ų5542%0.41828%0.278SS..Iπ-helixtrans-67.9-47.8179.41760000110.5L181 F182 L189 G190L181-V185 PolarHBondContact O-N 3.03Å; F182-V185 PolarHBondContact O-N 3.39Å; V185-L189 HydrophobicContact CG2-CD1 4.48Å; V185-L189 WeakPolarHBondContact O-CB 3.09Å; V185-L189 PolarHBondContact O-N 3.47Å; V185-G190 PolarHBondContact O-N 3.35Å
186M87.3Confident86.2Confident109 Ų10951.2 Ų51.254%0.53726%0.26SS..Iπ-helixtrans-73.1-56.2-173.8-65.6-59.4-68.400113.2F182F182-M186 HydrophobicContact CD2-CG 4.39Å; F182-M186 HydrophobicContact CE1-CG 4.17Å; F182-M186 HydrophobicContact CE2-CG 3.94Å; F182-M186 HydrophobicContact CZ-CG 3.82Å; F182-M186 PolarHBondContact O-N 3.27Å; F182-M186 VanDerWaalsContact O-N 3.09Å
187F85.4Confident86.4Confident57 Ų5756.8 Ų56.825%0.2528%0.28CS..Iπ-helixtrans-91.7-16.5-170.8-69-75.3000113.8L67 F148 V151 T183 T191L67-F187 HydrophobicContact CD2-CE1 3.9Å; F148-F187 HydrophobicContact CB-CD1 4.41Å; V151-F187 HydrophobicContact CB-CB 4.44Å; V151-F187 HydrophobicContact CB-CD1 4.4Å; V151-F187 HydrophobicContact CB-CD2 4.39Å; V151-F187 HydrophobicContact CB-CG 4.17Å; V151-F187 HydrophobicContact CG1-CD2 3.96Å; V151-F187 HydrophobicContact CG1-CE2 4.05Å; V151-F187 HydrophobicContact CG1-CG 4.22Å; V151-F187 HydrophobicContact CG1-CZ 4.39Å; V151-F187 HydrophobicContact CG2-CD1 4.5Å; T183-F187 HydrophobicContact CG2-CD2 4.29Å; T183-F187 WeakPolarHBondContact O-CB 3.3Å; T183-F187 PolarHBondContact O-N 2.93Å; F187-T191 WeakPolarHBondContact O-CB 3.46Å; F187-T191 VanDerWaalsContact O-CG2 3.25Å; F187-T191 WeakPolarHBondContact O-CG2 3.4Å; F187-T191 PolarHBondContact O-OG1 3.46Å
188R86.8Confident86.6Confident30 Ų3056.4 Ų56.411%0.11328%0.277CS..Iπ-helixtrans-101.9-66.3-179.3-126.2-158.4164.1101.51.8109.8V149 N152 Y184 T191 Q192 M223V149-R188 HydrophobicContact CB-CG 4.47Å; V149-R188 HydrophobicContact CG2-CB 4.46Å; V149-R188 HydrophobicContact CG2-CG 3.28Å; N152-R188 HydrophobicContact CB-CB 4.49Å; N152-R188 HydrophobicContact CB-CG 4.37Å; N152-R188 WeakPolarHBondContact OD1-CD 3.46Å; N152-R188 PolarHBondContact OD1-NH1 3.33Å; Y184-R188 HydrophobicContact CD1-CB 4.41Å; Y184-R188 HydrophobicContact CD2-CB 4.45Å; Y184-R188 VanDerWaalsContact CD2-CD 3.45Å; Y184-R188 HydrophobicContact CE2-CG 4.48Å; Y184-R188 HydrophobicContact CG-CB 4.29Å; Y184-R188 WeakPolarHBondContact O-CA 3.33Å; Y184-R188 WeakPolarHBondContact O-CB 3.36Å; Y184-R188 PolarHBondContact O-N 3.47Å; R188-T191 PolarHBondContact O-OG1 3.4Å; R188-Q192 WeakPolarHBondContact O-CB 3.27Å; R188-Q192 PolarHBondContact O-N 3.2Å; R188-Q192 VanDerWaalsContact O-N 3.16Å; R188-M223 HydrophobicContact CB-CE 3.36Å; R188-M223 HydrophobicContact CG-CE 3.11Å; R188-M223 VanDerWaalsContact O-CE 3.28Å; R188-M223 WeakPolarHBondContact O-CE 3.23Å
189L86.1Confident86.6Confident56 Ų5651.3 Ų51.329%0.29325%0.251SS..Iπ-helixtrans-67-41.3-178.7-64.7176.4000112.1Y184 V185 Q192 F193 M223Y184-L189 HydrophobicContact CD1-CD1 4.28Å; Y184-L189 HydrophobicContact CD1-CG 4.11Å; Y184-L189 HydrophobicContact CE1-CD1 4.28Å; Y184-L189 HydrophobicContact CE1-CD2 4.12Å; Y184-L189 HydrophobicContact CE1-CG 3.96Å; Y184-L189 PolarHBondContact O-N 3.36Å; V185-L189 HydrophobicContact CG2-CD1 4.48Å; V185-L189 WeakPolarHBondContact O-CB 3.09Å; V185-L189 PolarHBondContact O-N 3.47Å; L189-Q192 PolarHBondContact O-N 2.99Å; L189-F193 VanDerWaalsContact O-CB 3.24Å; L189-F193 WeakPolarHBondContact O-CB 3.33Å; L189-F193 PolarHBondContact O-N 3.03Å; L189-M223 HydrophobicContact CD2-CE 4.38Å; L189-M223 HydrophobicContact CD2-CG 4.19Å; L189-M223 HydrophobicContact CD2-SD 3.82Å
190G86.6Confident86.6Confident35 Ų3552.5 Ų52.536%0.36126%0.259SS..Hα-helixtrans-61.9-47.5-179.800000113.6V185 F193 Y194V185-G190 PolarHBondContact O-N 3.35Å; G190-F193 PolarHBondContact O-N 3.34Å; G190-Y194 WeakPolarHBondContact O-CB 3.45Å; G190-Y194 PolarHBondContact O-N 2.92Å
191T87.1Confident86.4Confident12 Ų1258.5 Ų58.57%0.07429%0.286CS..Hα-helixtrans-65.8-44.6179.1520000111I145 F148 F187 R188 F193 Y194 L195I145-T191 HydrophobicContact CG2-CG2 4.42Å; F148-T191 HydrophobicContact CB-CG2 3.64Å; F148-T191 HydrophobicContact CD2-CG2 3.71Å; F148-T191 HydrophobicContact CG-CG2 4.17Å; F187-T191 WeakPolarHBondContact O-CB 3.46Å; F187-T191 VanDerWaalsContact O-CG2 3.25Å; F187-T191 WeakPolarHBondContact O-CG2 3.4Å; F187-T191 PolarHBondContact O-OG1 3.46Å; R188-T191 PolarHBondContact O-OG1 3.4Å; T191-F193 VanDerWaalsContact C-N 3.34Å; T191-F193 PolarHBondContact O-N 2.99Å; T191-Y194 WeakPolarHBondContact O-CB 3.29Å; T191-Y194 PolarHBondContact O-N 3.46Å; T191-L195 WeakPolarHBondContact O-CD1 3.31Å; T191-L195 PolarHBondContact O-N 3.03Å
192Q87.4Confident86.1Confident17 Ų1758.1 Ų58.18%0.07928%0.284CS..Hα-helixtrans-64.7-39.4180-164.6731.800112.4R188 L189 T196 M216 N220 M223R188-Q192 WeakPolarHBondContact O-CB 3.27Å; R188-Q192 PolarHBondContact O-N 3.2Å; R188-Q192 VanDerWaalsContact O-N 3.16Å; L189-Q192 PolarHBondContact O-N 2.99Å; Q192-T196 VanDerWaalsContact O-CB 3.31Å; Q192-T196 WeakPolarHBondContact O-CB 3.49Å; Q192-T196 PolarHBondContact O-N 3Å; Q192-T196 PolarHBondContact O-OG1 3.4Å; Q192-M216 VanDerWaalsContact CD-CE 3.46Å; Q192-M216 HydrophobicContact CG-CE 4.19Å; Q192-N220 VanDerWaalsContact CD-OD1 3.25Å; Q192-N220 WeakPolarHBondContact CG-OD1 3.5Å; Q192-N220 PolarHBondContact NE2-OD1 3.4Å; Q192-M223 HydrophobicContact CB-CE 4.26Å; Q192-M223 HydrophobicContact CB-SD 3.99Å; Q192-M223 HydrophobicContact CG-SD 3.91Å
193F88.4Confident85.5Confident147 Ų14757.4 Ų57.465%0.64528%0.279SS*.Hα-helixtrans-61.8-47.9172177.1-97.5000111.3L189 G190 T191 T196 W197L189-F193 VanDerWaalsContact O-CB 3.24Å; L189-F193 WeakPolarHBondContact O-CB 3.33Å; L189-F193 PolarHBondContact O-N 3.03Å; G190-F193 PolarHBondContact O-N 3.34Å; T191-F193 VanDerWaalsContact C-N 3.34Å; T191-F193 PolarHBondContact O-N 2.99Å; F193-T196 PolarHBondContact O-N 3.34Å; F193-W197 WeakPolarHBondContact O-CB 3.46Å; F193-W197 PolarHBondContact O-N 3.32Å
194Y87.5Confident84.8Confident67 Ų6761.8 Ų61.826%0.26331%0.31SS..Hα-helixtrans-60.2-47.5179.3174.1-93.3000112.5L77 I80 I145 G190 T191 T196 W197 Y198L77-Y194 PolarHBondContact O-OH 3.4Å; I80-Y194 HydrophobicContact CD1-CE1 3.7Å; I80-Y194 WeakPolarHBondContact CD1-OH 3.22Å; I145-Y194 HydrophobicContact CD1-CD1 4.43Å; I145-Y194 HydrophobicContact CD1-CE1 3.75Å; I145-Y194 HydrophobicContact CG2-CD1 4.17Å; G190-Y194 WeakPolarHBondContact O-CB 3.45Å; G190-Y194 PolarHBondContact O-N 2.92Å; T191-Y194 WeakPolarHBondContact O-CB 3.29Å; T191-Y194 PolarHBondContact O-N 3.46Å; Y194-T196 PolarHBondContact O-N 2.96Å; Y194-W197 PolarHBondContact O-N 2.92Å; Y194-Y198 WeakPolarHBondContact O-CB 3.25Å; Y194-Y198 PolarHBondContact O-N 3.07Å
195L86.1Confident83.9Confident18 Ų1871.4 Ų71.49%0.09435%0.346CS..Hα-helixtrans-62.1-42.6176.1-88.6130.3000112.2I145 A146 T191 Y198 I199 M216I145-L195 HydrophobicContact CB-CD1 4.22Å; I145-L195 HydrophobicContact CG2-CD1 3.72Å; I145-L195 HydrophobicContact CG2-CG 4.38Å; A146-L195 HydrophobicContact CB-CD1 4.18Å; T191-L195 WeakPolarHBondContact O-CD1 3.31Å; T191-L195 PolarHBondContact O-N 3.03Å; L195-Y198 PolarHBondContact O-N 3.18Å; L195-I199 WeakPolarHBondContact O-CG1 2.89Å; L195-I199 PolarHBondContact O-N 3.21Å; L195-M216 HydrophobicContact CB-CE 3.62Å
196T87.5Confident83.2Confident22 Ų2269 Ų6914%0.13533%0.331CS..Hα-helixtrans-62.5-48.1176.8-60.80000110.9Q192 F193 Y194 Y198 I199 V200 M217 N220Q192-T196 VanDerWaalsContact O-CB 3.31Å; Q192-T196 WeakPolarHBondContact O-CB 3.49Å; Q192-T196 PolarHBondContact O-N 3Å; Q192-T196 PolarHBondContact O-OG1 3.4Å; F193-T196 PolarHBondContact O-N 3.34Å; Y194-T196 PolarHBondContact O-N 2.96Å; T196-Y198 VanDerWaalsContact C-N 3.31Å; T196-Y198 PolarHBondContact O-N 3.45Å; T196-I199 PolarHBondContact O-N 3.07Å; T196-V200 WeakPolarHBondContact O-CG2 3.4Å; T196-V200 PolarHBondContact O-N 3.01Å; T196-M217 HydrophobicContact CG2-CE 3.4Å; T196-M217 VanDerWaalsContact CG2-CE 3.4Å; T196-N220 PolarHBondContact OG1-ND2 2.94Å; T196-N220 VanDerWaalsContact OG1-ND2 3.15Å
197W88.4Confident82.3Confident130 Ų13068.7 Ų68.749%0.49233%0.332SS..Hα-helixtrans-59.3-43.3177.5175.884.9000111.3F193 Y194 I199 V200 H201F193-W197 WeakPolarHBondContact O-CB 3.46Å; F193-W197 PolarHBondContact O-N 3.32Å; Y194-W197 PolarHBondContact O-N 2.92Å; W197-I199 PolarHBondContact O-N 3.39Å; W197-V200 PolarHBondContact O-N 3.17Å; W197-H201 VanDerWaalsContact O-CB 3.29Å; W197-H201 WeakPolarHBondContact O-CB 3.35Å; W197-H201 PolarHBondContact O-N 3.36Å
198Y84.2Confident82Confident30 Ų3072.2 Ų72.212%0.11835%0.348CS..Hα-helixtrans-60.7-44.2177.7-176.1-95.7000112.3I80 Y194 L195 T196 N202I80-Y198 HydrophobicContact CB-CE1 3.92Å; I80-Y198 HydrophobicContact CB-CE2 4.12Å; I80-Y198 HydrophobicContact CD1-CD1 4.01Å; I80-Y198 HydrophobicContact CD1-CD2 3.68Å; I80-Y198 HydrophobicContact CD1-CE1 4.13Å; I80-Y198 HydrophobicContact CD1-CE2 3.81Å; I80-Y198 HydrophobicContact CD1-CG 3.78Å; I80-Y198 HydrophobicContact CG1-CE2 4.36Å; I80-Y198 HydrophobicContact CG2-CD1 4.29Å; I80-Y198 HydrophobicContact CG2-CE1 3.71Å; Y194-Y198 WeakPolarHBondContact O-CB 3.25Å; Y194-Y198 PolarHBondContact O-N 3.07Å; L195-Y198 PolarHBondContact O-N 3.18Å; T196-Y198 VanDerWaalsContact C-N 3.31Å; T196-Y198 PolarHBondContact O-N 3.45Å; Y198-N202 WeakPolarHBondContact CD2-ND2 3.46Å; Y198-N202 WeakPolarHBondContact CE2-ND2 3.48Å; Y198-N202 WeakPolarHBondContact O-CB 3.35Å; Y198-N202 PolarHBondContact O-N 2.93Å; Y198-N202 PolarHBondContact O-ND2 3.33Å
199I84.3Confident81.5Confident17 Ų1771 Ų719%0.08735%0.345CS..Hα-helixtrans-66-41.7179-69.2163.2000111.4L195 T196 W197 Y203 L206 F212 L213 M216L195-I199 WeakPolarHBondContact O-CG1 2.89Å; L195-I199 PolarHBondContact O-N 3.21Å; T196-I199 PolarHBondContact O-N 3.07Å; W197-I199 PolarHBondContact O-N 3.39Å; I199-Y203 VanDerWaalsContact O-CA 3.25Å; I199-Y203 WeakPolarHBondContact O-CA 3.28Å; I199-Y203 WeakPolarHBondContact O-CB 3.18Å; I199-Y203 PolarHBondContact O-N 2.97Å; I199-L206 HydrophobicContact CB-CD1 4.23Å; I199-L206 HydrophobicContact CG1-CD1 4.32Å; I199-L206 HydrophobicContact CG2-CD1 4.12Å; I199-L206 WeakPolarHBondContact O-CD1 2.78Å; I199-F212 HydrophobicContact CD1-CB 4.34Å; I199-L213 HydrophobicContact CG2-CB 4.03Å; I199-L213 HydrophobicContact CG2-CD1 4.07Å; I199-M216 HydrophobicContact CD1-CB 4.49Å; I199-M216 HydrophobicContact CD1-CG 3.6Å
200V85.6Confident81.2Confident86 Ų8669.4 Ų69.452%0.52134%0.343SS..Hα-helixtrans-68-42.9178.71730000111.1T196 W197 Y203 L213T196-V200 WeakPolarHBondContact O-CG2 3.4Å; T196-V200 PolarHBondContact O-N 3.01Å; W197-V200 PolarHBondContact O-N 3.17Å; V200-Y203 WeakPolarHBondContact O-CB 3.26Å; V200-Y203 PolarHBondContact O-N 3.44Å; V200-L213 HydrophobicContact CG2-CD1 3.83Å
201H82.7Confident81.1Confident127 Ų12773 Ų7359%0.58835%0.346SS*.Hα-helixtrans-69.8-35.2-178.2-164.973.6000112.6W197W197-H201 VanDerWaalsContact O-CB 3.29Å; W197-H201 WeakPolarHBondContact O-CB 3.35Å; W197-H201 PolarHBondContact O-N 3.36Å
202N79.1Confident80.9Confident43 Ų4373.9 Ų73.923%0.2335%0.349CS..THydrogen-bonded Turntrans-101.519180-60.4-86.2000112.6Y198 S204 W205 L206Y198-N202 WeakPolarHBondContact CD2-ND2 3.46Å; Y198-N202 WeakPolarHBondContact CE2-ND2 3.48Å; Y198-N202 WeakPolarHBondContact O-CB 3.35Å; Y198-N202 PolarHBondContact O-N 2.93Å; Y198-N202 PolarHBondContact O-ND2 3.33Å; N202-S204 PolarHBondContact O-N 3.43Å; N202-W205 PolarHBondContact O-N 2.98Å; N202-L206 HydrophobicContact CB-CD1 4.08Å; N202-L206 HydrophobicContact CB-CG 4.35Å; N202-L206 WeakPolarHBondContact O-CD1 3.3Å; N202-L206 WeakPolarHBondContact O-CG 3.32Å; N202-L206 PolarHBondContact O-N 3.32Å; N202-L206 VanDerWaalsContact O-N 3.17Å
203Y75.8Confident80.9Confident116 Ų11675 Ų7546%0.45536%0.355SS..G310 helixtrans-56.6-37.3-171.8-173.4-97.3000113.2I199 V200 W205 L213I199-Y203 VanDerWaalsContact O-CA 3.25Å; I199-Y203 WeakPolarHBondContact O-CA 3.28Å; I199-Y203 WeakPolarHBondContact O-CB 3.18Å; I199-Y203 PolarHBondContact O-N 2.97Å; V200-Y203 WeakPolarHBondContact O-CB 3.26Å; V200-Y203 PolarHBondContact O-N 3.44Å; Y203-W205 VanDerWaalsContact C-N 3.27Å; Y203-W205 PolarHBondContact O-N 3.02Å; Y203-L213 HydrophobicContact CD2-CD2 4.36Å; Y203-L213 HydrophobicContact CE2-CD2 4.06Å
204S70.4Confident80.8Confident105 Ų10573.1 Ų73.173%0.73435%0.351SS*.G310 helixtrans-73.4-14.9179.948.80000114.4N202N202-S204 PolarHBondContact O-N 3.43Å
205W68.9Low80.8Confident207 Ų20770.4 Ų70.478%0.78434%0.341SS*.G310 helixtrans-110-4.1-178.9-73.659.4000112.7N202 Y203N202-W205 PolarHBondContact O-N 2.98Å; Y203-W205 VanDerWaalsContact C-N 3.27Å; Y203-W205 PolarHBondContact O-N 3.02Å
206L71.3Confident80.9Confident19 Ų1970.7 Ų70.710%0.09934%0.342CS..SBendtrans-92113.3-177.9-79.7161.4000110.2Y139 I199 N202 H208 G209Y139-L206 HydrophobicContact CD1-CD2 4.16Å; Y139-L206 HydrophobicContact CE1-CD2 3.28Å; Y139-L206 WeakPolarHBondContact OH-CD2 3.43Å; I199-L206 HydrophobicContact CB-CD1 4.23Å; I199-L206 HydrophobicContact CG1-CD1 4.32Å; I199-L206 HydrophobicContact CG2-CD1 4.12Å; I199-L206 WeakPolarHBondContact O-CD1 2.78Å; N202-L206 HydrophobicContact CB-CD1 4.08Å; N202-L206 HydrophobicContact CB-CG 4.35Å; N202-L206 WeakPolarHBondContact O-CD1 3.3Å; N202-L206 WeakPolarHBondContact O-CG 3.32Å; N202-L206 PolarHBondContact O-N 3.32Å; N202-L206 VanDerWaalsContact O-N 3.17Å; L206-H208 PolarHBondContact O-N 2.91Å; L206-G209 PolarHBondContact O-N 2.88Å
207D69.7Low81Confident102 Ų10273 Ų7355%0.54535%0.352SS..THydrogen-bonded Turntrans-58.2124.3166.2-73.3-28.1000108.9G209D207-G209 VanDerWaalsContact C-N 3.26Å; D207-G209 PolarHBondContact O-N 3.47Å
208H78.3Confident81Confident130 Ų13070.8 Ų70.860%0.60235%0.348SS*.THydrogen-bonded Turntrans61.126-175.9-51.281.5000115.1L206 G210 Y211 F212L206-H208 PolarHBondContact O-N 2.91Å; H208-G210 PolarHBondContact O-N 3.23Å; H208-G210 VanDerWaalsContact O-N 3.09Å; H208-Y211 PolarHBondContact O-N 3.32Å; H208-F212 HydrophobicContact CB-CE2 4.38Å; H208-F212 WeakPolarHBondContact O-CD2 3.3Å; H208-F212 PolarHBondContact O-N 2.6Å
209G75.7Confident81.2Confident5 Ų570.8 Ų70.85%0.05235%0.35CS..Hα-helixtrans-51.3-36.1-178.500000115L206 D207 Y211 F212 L213L206-G209 PolarHBondContact O-N 2.88Å; D207-G209 VanDerWaalsContact C-N 3.26Å; D207-G209 PolarHBondContact O-N 3.47Å; G209-Y211 PolarHBondContact O-N 3.35Å; G209-F212 PolarHBondContact O-N 3.23Å; G209-L213 VanDerWaalsContact O-CB 3.32Å; G209-L213 WeakPolarHBondContact O-CB 3.46Å; G209-L213 PolarHBondContact O-N 3.16Å
210G80.7Confident81.4Confident23 Ų2371.7 Ų71.724%0.23736%0.355CS..Hα-helixtrans-60.9-40.5176.300000113.9H208 L213 I214H208-G210 PolarHBondContact O-N 3.23Å; H208-G210 VanDerWaalsContact O-N 3.09Å; G210-L213 PolarHBondContact O-N 3.01Å; G210-I214 VanDerWaalsContact O-CG1 3.3Å; G210-I214 WeakPolarHBondContact O-CG1 3.46Å; G210-I214 PolarHBondContact O-N 2.97Å
211Y83.6Confident81.5Confident111 Ų11172.7 Ų72.744%0.43536%0.356SS..Hα-helixtrans-68.4-43.3179-179.6-89.6000111.6W128 H208 G209 L213 I214 T215W128-Y211 AromaticContact CD1-CE1 3.43Å; W128-Y211 VanDerWaalsContact CD1-CE1 3.43Å; W128-Y211 AromaticContact CD1-CZ 3.67Å; W128-Y211 AromaticContact NE1-CE1 3.21Å; W128-Y211 AromaticContact NE1-CZ 3.42Å; W128-Y211 PolarHBondContact NE1-OH 3.5Å; W128-Y211 VanDerWaalsContact NE1-OH 3.16Å; H208-Y211 PolarHBondContact O-N 3.32Å; G209-Y211 PolarHBondContact O-N 3.35Å; Y211-L213 VanDerWaalsContact C-N 3.33Å; Y211-L213 PolarHBondContact O-N 3.48Å; Y211-I214 PolarHBondContact O-N 3.21Å; Y211-T215 PolarHBondContact O-N 3.09Å; Y211-T215 PolarHBondContact O-OG1 2.99Å
212F83.9Confident81.7Confident29 Ų2967.7 Ų67.713%0.12733%0.333CS..Hα-helixtrans-63.5-40.3174.6-73.3-66.6000112Y132 I199 H208 G209 T215 M216Y132-F212 HydrophobicContact CD1-CE1 4.36Å; Y132-F212 HydrophobicContact CD1-CE2 4.21Å; Y132-F212 AromaticContact CD1-CZ 3.43Å; Y132-F212 HydrophobicContact CD1-CZ 3.43Å; Y132-F212 VanDerWaalsContact CD1-CZ 3.43Å; Y132-F212 HydrophobicContact CD2-CZ 4.41Å; Y132-F212 AromaticContact CE1-CE2 3.86Å; Y132-F212 HydrophobicContact CE1-CE2 3.86Å; Y132-F212 AromaticContact CE1-CZ 3.56Å; Y132-F212 HydrophobicContact CE1-CZ 3.56Å; Y132-F212 AromaticContact CG-CZ 3.87Å; Y132-F212 HydrophobicContact CG-CZ 3.87Å; I199-F212 HydrophobicContact CD1-CB 4.34Å; H208-F212 HydrophobicContact CB-CE2 4.38Å; H208-F212 WeakPolarHBondContact O-CD2 3.3Å; H208-F212 PolarHBondContact O-N 2.6Å; G209-F212 PolarHBondContact O-N 3.23Å; F212-T215 PolarHBondContact O-N 2.97Å; F212-M216 WeakPolarHBondContact O-CB 3.37Å; F212-M216 VanDerWaalsContact O-CG 3.26Å; F212-M216 WeakPolarHBondContact O-CG 3.32Å; F212-M216 PolarHBondContact O-N 3.5Å
213L86.1Confident82Confident41 Ų4166.3 Ų66.322%0.21533%0.326CS..Hα-helixtrans-63.2-45.4177.7-174.463.8000111.5I199 V200 Y203 G209 G210 Y211 T215 M216 M217I199-L213 HydrophobicContact CG2-CB 4.03Å; I199-L213 HydrophobicContact CG2-CD1 4.07Å; V200-L213 HydrophobicContact CG2-CD1 3.83Å; Y203-L213 HydrophobicContact CD2-CD2 4.36Å; Y203-L213 HydrophobicContact CE2-CD2 4.06Å; G209-L213 VanDerWaalsContact O-CB 3.32Å; G209-L213 WeakPolarHBondContact O-CB 3.46Å; G209-L213 PolarHBondContact O-N 3.16Å; G210-L213 PolarHBondContact O-N 3.01Å; Y211-L213 VanDerWaalsContact C-N 3.33Å; Y211-L213 PolarHBondContact O-N 3.48Å; L213-T215 PolarHBondContact O-N 3.33Å; L213-M216 PolarHBondContact O-N 3.44Å; L213-M217 HydrophobicContact CD1-CE 4.05Å; L213-M217 VanDerWaalsContact O-CG 3.3Å; L213-M217 WeakPolarHBondContact O-CG 3.49Å; L213-M217 PolarHBondContact O-N 3.42Å
214I87.8Confident82.4Confident107 Ų10765 Ų6555%0.54933%0.33SS..Hα-helixtrans-59.4-48.1176.3-69.4165.7000110.5G210 Y211 M216 M217 M218G210-I214 VanDerWaalsContact O-CG1 3.3Å; G210-I214 WeakPolarHBondContact O-CG1 3.46Å; G210-I214 PolarHBondContact O-N 2.97Å; Y211-I214 PolarHBondContact O-N 3.21Å; I214-M216 VanDerWaalsContact C-N 3.31Å; I214-M216 PolarHBondContact O-N 3.09Å; I214-M217 PolarHBondContact O-N 3.01Å; I214-M218 HydrophobicContact CG2-SD 4.29Å; I214-M218 WeakPolarHBondContact O-CG 3.31Å; I214-M218 PolarHBondContact O-N 3.18Å
215T87.2Confident83.1Confident10 Ų1063.6 Ų63.66%0.06131%0.313CS..Hα-helixtrans-61-42.2179.4-53.50000111.2M125 Y211 F212 L213 M218 M219M125-T215 HydrophobicContact CB-CG2 3.81Å; M125-T215 HydrophobicContact CG-CG2 4.03Å; M125-T215 HydrophobicContact SD-CG2 4.18Å; Y211-T215 PolarHBondContact O-N 3.09Å; Y211-T215 PolarHBondContact O-OG1 2.99Å; F212-T215 PolarHBondContact O-N 2.97Å; L213-T215 PolarHBondContact O-N 3.33Å; T215-M218 PolarHBondContact O-N 2.81Å; T215-M219 VanDerWaalsContact O-CG 3.3Å; T215-M219 WeakPolarHBondContact O-CG 3.45Å; T215-M219 PolarHBondContact O-N 3.16Å
216M88.2Confident83.8Confident25 Ų2555.6 Ų55.612%0.12328%0.283CS..Hα-helixtrans-64.9-39.8175.4-77.2-63.8-63.100112.7Q192 L195 I199 F212 L213 I214 M219 N220Q192-M216 VanDerWaalsContact CD-CE 3.46Å; Q192-M216 HydrophobicContact CG-CE 4.19Å; L195-M216 HydrophobicContact CB-CE 3.62Å; I199-M216 HydrophobicContact CD1-CB 4.49Å; I199-M216 HydrophobicContact CD1-CG 3.6Å; F212-M216 WeakPolarHBondContact O-CB 3.37Å; F212-M216 VanDerWaalsContact O-CG 3.26Å; F212-M216 WeakPolarHBondContact O-CG 3.32Å; F212-M216 PolarHBondContact O-N 3.5Å; L213-M216 PolarHBondContact O-N 3.44Å; I214-M216 VanDerWaalsContact C-N 3.31Å; I214-M216 PolarHBondContact O-N 3.09Å; M216-M219 PolarHBondContact O-N 2.86Å; M216-N220 WeakPolarHBondContact O-CB 3.48Å; M216-N220 PolarHBondContact O-N 3.18Å; M216-N220 PolarHBondContact O-ND2 3.39Å; M216-N220 PolarHBondContact O-OD1 3.29Å
217M88.4Confident84.2Confident70 Ų7056.9 Ų56.935%0.34529%0.288SS..Hα-helixtrans-64.4-42.6176-72-54.1100.900111.9T196 L213 I214 M219 N220 I221T196-M217 HydrophobicContact CG2-CE 3.4Å; T196-M217 VanDerWaalsContact CG2-CE 3.4Å; L213-M217 HydrophobicContact CD1-CE 4.05Å; L213-M217 VanDerWaalsContact O-CG 3.3Å; L213-M217 WeakPolarHBondContact O-CG 3.49Å; L213-M217 PolarHBondContact O-N 3.42Å; I214-M217 PolarHBondContact O-N 3.01Å; M217-M219 VanDerWaalsContact C-N 3.33Å; M217-M219 PolarHBondContact O-N 3.37Å; M217-N220 WeakPolarHBondContact CE-ND2 3.33Å; M217-N220 WeakPolarHBondContact O-CB 3.4Å; M217-N220 PolarHBondContact O-N 2.85Å; M217-I221 VanDerWaalsContact O-CG1 3.31Å; M217-I221 WeakPolarHBondContact O-CG1 3.28Å; M217-I221 PolarHBondContact O-N 3.47Å
218M88.9Confident84.8Confident83 Ų8359.4 Ų59.441%0.40929%0.291SS..Hα-helixtrans-60.7-43.9174.9-71179.265.600111.5L121 M125 I214 T215 N220 I221 M222L121-M218 HydrophobicContact CD1-CE 4.41Å; L121-M218 HydrophobicContact CD2-CE 4.33Å; M125-M218 HydrophobicContact CE-CB 4.46Å; M125-M218 HydrophobicContact SD-CB 3.74Å; M125-M218 HydrophobicContact SD-CE 3.9Å; M125-M218 HydrophobicContact SD-SD 4.21Å; I214-M218 HydrophobicContact CG2-SD 4.29Å; I214-M218 WeakPolarHBondContact O-CG 3.31Å; I214-M218 PolarHBondContact O-N 3.18Å; T215-M218 PolarHBondContact O-N 2.81Å; M218-N220 VanDerWaalsContact C-N 3.35Å; M218-N220 PolarHBondContact O-N 3.5Å; M218-I221 PolarHBondContact O-N 3.41Å; M218-M222 WeakPolarHBondContact O-CB 3.14Å; M218-M222 PolarHBondContact O-N 2.89Å
219M88.1Confident84.9Confident31 Ų3157 Ų5715%0.15328%0.277CS..Hα-helixtrans-61.4-41.1175-72.2-71.9-71.500112.1H122 M125 V126 T215 M216 M217 M222 M223H122-M219 VanDerWaalsContact CE1-CE 3.49Å; H122-M219 WeakPolarHBondContact CE1-CE 3.35Å; H122-M219 VanDerWaalsContact ND1-CE 3.35Å; H122-M219 WeakPolarHBondContact ND1-CE 3.07Å; H122-M219 PolarHBondContact ND1-SD 3.19Å; M125-M219 HydrophobicContact CB-SD 4.49Å; M125-M219 HydrophobicContact CE-CG 4.05Å; M125-M219 HydrophobicContact CE-SD 3.56Å; M125-M219 VanDerWaalsContact CE-SD 3.56Å; M125-M219 HydrophobicContact SD-CG 4.36Å; V126-M219 HydrophobicContact CG2-CE 3.92Å; T215-M219 VanDerWaalsContact O-CG 3.3Å; T215-M219 WeakPolarHBondContact O-CG 3.45Å; T215-M219 PolarHBondContact O-N 3.16Å; M216-M219 PolarHBondContact O-N 2.86Å; M217-M219 VanDerWaalsContact C-N 3.33Å; M217-M219 PolarHBondContact O-N 3.37Å; M219-M222 PolarHBondContact O-N 3.4Å; M219-M222 HydrophobicContact SD-CE 4.26Å; M219-M223 WeakPolarHBondContact O-CB 3.24Å; M219-M223 PolarHBondContact O-N 3.06Å
220N88.2Confident85Confident35 Ų3557.4 Ų57.419%0.18728%0.277CS..Hα-helixtrans-61.9-46.5176.3-68.1-9.2000111.8Q192 T196 M216 M217 M218 M223 V224Q192-N220 VanDerWaalsContact CD-OD1 3.25Å; Q192-N220 WeakPolarHBondContact CG-OD1 3.5Å; Q192-N220 PolarHBondContact NE2-OD1 3.4Å; T196-N220 PolarHBondContact OG1-ND2 2.94Å; T196-N220 VanDerWaalsContact OG1-ND2 3.15Å; M216-N220 WeakPolarHBondContact O-CB 3.48Å; M216-N220 PolarHBondContact O-N 3.18Å; M216-N220 PolarHBondContact O-ND2 3.39Å; M216-N220 PolarHBondContact O-OD1 3.29Å; M217-N220 WeakPolarHBondContact CE-ND2 3.33Å; M217-N220 WeakPolarHBondContact O-CB 3.4Å; M217-N220 PolarHBondContact O-N 2.85Å; M218-N220 VanDerWaalsContact C-N 3.35Å; M218-N220 PolarHBondContact O-N 3.5Å; N220-M223 WeakPolarHBondContact O-CB 3.48Å; N220-M223 PolarHBondContact O-N 3.44Å; N220-V224 WeakPolarHBondContact O-CG2 3.44Å; N220-V224 PolarHBondContact O-N 3.06Å
221I88.5Confident84.9Confident107 Ų10758.8 Ų58.855%0.54928%0.279SS..Hα-helixtrans-60.6-50.2179.1-68.8164.4000110M217 M218 M223 V224 I225M217-I221 VanDerWaalsContact O-CG1 3.31Å; M217-I221 WeakPolarHBondContact O-CG1 3.28Å; M217-I221 PolarHBondContact O-N 3.47Å; M218-I221 PolarHBondContact O-N 3.41Å; I221-M223 VanDerWaalsContact C-N 3.27Å; I221-M223 PolarHBondContact O-N 2.94Å; I221-V224 PolarHBondContact O-N 2.96Å; I221-I225 HydrophobicContact CG2-CD1 3.84Å; I221-I225 VanDerWaalsContact O-CG1 3.32Å; I221-I225 WeakPolarHBondContact O-CG1 3.37Å; I221-I225 PolarHBondContact O-N 2.96Å
222M86.4Confident84.6Confident22 Ų2259.5 Ų59.511%0.10828%0.281CS..Hα-helixtrans-61.9-38.5-178.6-160.3-176.373.200111.6L121 H122 M218 M219 I225 Y226L121-M222 HydrophobicContact CD2-SD 4.13Å; H122-M222 HydrophobicContact CB-CE 3.44Å; H122-M222 VanDerWaalsContact CB-CE 3.44Å; H122-M222 HydrophobicContact CB-SD 4.13Å; M218-M222 WeakPolarHBondContact O-CB 3.14Å; M218-M222 PolarHBondContact O-N 2.89Å; M219-M222 PolarHBondContact O-N 3.4Å; M219-M222 HydrophobicContact SD-CE 4.26Å; M222-I225 PolarHBondContact O-N 3.23Å; M222-Y226 HydrophobicContact CE-CE2 3.92Å; M222-Y226 HydrophobicContact CG-CD2 4.37Å; M222-Y226 HydrophobicContact CG-CE2 3.82Å; M222-Y226 WeakPolarHBondContact O-CD2 3.36Å; M222-Y226 PolarHBondContact O-N 2.88Å; M222-Y226 HydrophobicContact SD-CE2 4.27Å
223M85.1Confident83.9Confident15 Ų1560.2 Ų60.27%0.07429%0.288CS..Hα-helixtrans-63.9-44.3174.4177.9-178-128.700113Y184 R188 L189 Q192 M219 N220 I221 I225 Y226 F227Y184-M223 VanDerWaalsContact OH-CG 3.28Å; Y184-M223 WeakPolarHBondContact OH-CG 3.48Å; Y184-M223 PolarHBondContact OH-O 2.65Å; R188-M223 HydrophobicContact CB-CE 3.36Å; R188-M223 HydrophobicContact CG-CE 3.11Å; R188-M223 VanDerWaalsContact O-CE 3.28Å; R188-M223 WeakPolarHBondContact O-CE 3.23Å; L189-M223 HydrophobicContact CD2-CE 4.38Å; L189-M223 HydrophobicContact CD2-CG 4.19Å; L189-M223 HydrophobicContact CD2-SD 3.82Å; Q192-M223 HydrophobicContact CB-CE 4.26Å; Q192-M223 HydrophobicContact CB-SD 3.99Å; Q192-M223 HydrophobicContact CG-SD 3.91Å; M219-M223 WeakPolarHBondContact O-CB 3.24Å; M219-M223 PolarHBondContact O-N 3.06Å; N220-M223 WeakPolarHBondContact O-CB 3.48Å; N220-M223 PolarHBondContact O-N 3.44Å; I221-M223 VanDerWaalsContact C-N 3.27Å; I221-M223 PolarHBondContact O-N 2.94Å; M223-I225 VanDerWaalsContact C-N 3.32Å; M223-I225 PolarHBondContact O-N 3.12Å; M223-Y226 PolarHBondContact O-N 3.02Å; M223-F227 WeakPolarHBondContact O-CB 3.33Å; M223-F227 PolarHBondContact O-N 2.89Å
224V85.1Confident83.2Confident89 Ų8959.3 Ų59.354%0.53928%0.283SS..Hα-helixtrans-64.5-40.5176.8172.10000110.7N220 I221 Y226 F227 Y228N220-V224 WeakPolarHBondContact O-CG2 3.44Å; N220-V224 PolarHBondContact O-N 3.06Å; I221-V224 PolarHBondContact O-N 2.96Å; V224-Y226 PolarHBondContact O-N 2.97Å; V224-F227 PolarHBondContact O-N 2.89Å; V224-Y228 WeakPolarHBondContact O-CB 3.48Å; V224-Y228 PolarHBondContact O-N 3.37Å
225I85.4Confident82.1Confident74 Ų7459.2 Ų59.238%0.37928%0.279SS..Hα-helixtrans-59.6-46.4175.4-67.5167000110.6I221 M222 M223 Y228 R229I221-I225 HydrophobicContact CG2-CD1 3.84Å; I221-I225 VanDerWaalsContact O-CG1 3.32Å; I221-I225 WeakPolarHBondContact O-CG1 3.37Å; I221-I225 PolarHBondContact O-N 2.96Å; M222-I225 PolarHBondContact O-N 3.23Å; M223-I225 VanDerWaalsContact C-N 3.32Å; M223-I225 PolarHBondContact O-N 3.12Å; I225-Y228 PolarHBondContact O-N 3.49Å; I225-R229 WeakPolarHBondContact O-CG 3.41Å; I225-R229 PolarHBondContact O-N 3.14Å
226Y82.8Confident80.9Confident40 Ų4066.1 Ų66.116%0.15731%0.308CS..Hα-helixtrans-67.2-37178-69.7-29.4000113.4E118 M222 M223 V224 Y228 R229 L230E118-Y226 WeakPolarHBondContact CB-OH 3.25Å; E118-Y226 WeakPolarHBondContact OE2-CE1 3.31Å; E118-Y226 PolarHBondContact OE2-OH 3.27Å; E118-Y226 VanDerWaalsContact OE2-OH 3.13Å; M222-Y226 HydrophobicContact CE-CE2 3.92Å; M222-Y226 HydrophobicContact CG-CD2 4.37Å; M222-Y226 HydrophobicContact CG-CE2 3.82Å; M222-Y226 WeakPolarHBondContact O-CD2 3.36Å; M222-Y226 PolarHBondContact O-N 2.88Å; M222-Y226 HydrophobicContact SD-CE2 4.27Å; M223-Y226 PolarHBondContact O-N 3.02Å; V224-Y226 PolarHBondContact O-N 2.97Å; Y226-Y228 VanDerWaalsContact C-N 3.33Å; Y226-Y228 PolarHBondContact O-N 3.31Å; Y226-R229 PolarHBondContact O-N 3.12Å; Y226-L230 VanDerWaalsContact O-CB 3.29Å; Y226-L230 WeakPolarHBondContact O-CB 3.35Å; Y226-L230 PolarHBondContact O-N 3.36Å
227F80.2Confident79.3Confident46 Ų4669.6 Ų69.620%0.20233%0.333CS..Hα-helixtrans-61-45.1173-173.1-121.9000111.4L181 Y184 M223 V224 L230 L231L181-F227 HydrophobicContact CD1-CE2 3.74Å; L181-F227 HydrophobicContact CD1-CZ 4.15Å; Y184-F227 AromaticContact CD1-CD2 3.43Å; Y184-F227 HydrophobicContact CD1-CD2 3.43Å; Y184-F227 VanDerWaalsContact CD1-CD2 3.43Å; Y184-F227 AromaticContact CD1-CE2 3.79Å; Y184-F227 HydrophobicContact CD1-CE2 3.79Å; Y184-F227 HydrophobicContact CD1-CG 4.26Å; Y184-F227 HydrophobicContact CE1-CB 3.68Å; Y184-F227 AromaticContact CE1-CD2 3.26Å; Y184-F227 HydrophobicContact CE1-CD2 3.26Å; Y184-F227 HydrophobicContact CE1-CE2 4.06Å; Y184-F227 AromaticContact CE1-CG 3.67Å; Y184-F227 HydrophobicContact CE1-CG 3.67Å; Y184-F227 HydrophobicContact CG-CD2 4.17Å; Y184-F227 HydrophobicContact CG-CE2 4.48Å; Y184-F227 AromaticContact CZ-CD2 3.86Å; M223-F227 WeakPolarHBondContact O-CB 3.33Å; M223-F227 PolarHBondContact O-N 2.89Å; V224-F227 PolarHBondContact O-N 2.89Å; F227-L230 PolarHBondContact O-N 3.07Å; F227-L231 HydrophobicContact CD1-CD1 3.87Å; F227-L231 HydrophobicContact CD1-CG 4.44Å; F227-L231 HydrophobicContact CD2-CG 4.43Å; F227-L231 HydrophobicContact CE1-CD1 3.4Å; F227-L231 HydrophobicContact CE1-CG 4.12Å; F227-L231 HydrophobicContact CE2-CD1 4.27Å; F227-L231 HydrophobicContact CE2-CD2 4.26Å; F227-L231 HydrophobicContact CE2-CG 4.11Å; F227-L231 HydrophobicContact CG-CD1 4.49Å; F227-L231 HydrophobicContact CZ-CD1 3.63Å; F227-L231 HydrophobicContact CZ-CD2 4.11Å; F227-L231 HydrophobicContact CZ-CG 3.95Å; F227-L231 WeakPolarHBondContact O-CG 3.34Å; F227-L231 PolarHBondContact O-N 3.04Å
228Y81.9Confident77.2Confident154 Ų15476.6 Ų76.660%0.60436%0.356SS*.Hα-helixtrans-61.5-45.7176.7176-98.8000112.1V224 I225 Y226 L230 L231 R232V224-Y228 WeakPolarHBondContact O-CB 3.48Å; V224-Y228 PolarHBondContact O-N 3.37Å; I225-Y228 PolarHBondContact O-N 3.49Å; Y226-Y228 VanDerWaalsContact C-N 3.33Å; Y226-Y228 PolarHBondContact O-N 3.31Å; Y228-L230 VanDerWaalsContact C-N 3.34Å; Y228-L230 PolarHBondContact O-N 2.89Å; Y228-L231 PolarHBondContact O-N 3.43Å; Y228-R232 VanDerWaalsContact O-CB 3.3Å; Y228-R232 WeakPolarHBondContact O-CB 3.32Å; Y228-R232 PolarHBondContact O-N 3.2Å
229R80.8Confident74.8Confident80 Ų8077.8 Ų77.830%0.30237%0.372SS..Hα-helixtrans-60.6-42.9175.9-70.8-176.7-168.4170.56.5111.6E118 I225 Y226 R232 T233E118-R229 IonicContact OE1-CZ 3.24Å; E118-R229 IonicContact OE1-NH1 3.35Å; E118-R229 PolarHBondContact OE1-NH1 3.47Å; E118-R229 IonicContact OE1-NH2 2.8Å; E118-R229 PolarHBondContact OE1-NH2 3.42Å; E118-R229 IonicContact OE2-CZ 3.58Å; E118-R229 IonicContact OE2-NH1 3.42Å; E118-R229 PolarHBondContact OE2-NH1 3.25Å; E118-R229 IonicContact OE2-NH2 2.84Å; I225-R229 WeakPolarHBondContact O-CG 3.41Å; I225-R229 PolarHBondContact O-N 3.14Å; Y226-R229 PolarHBondContact O-N 3.12Å; R229-R232 PolarHBondContact O-N 2.97Å; R229-T233 WeakPolarHBondContact O-CG2 3.22Å; R229-T233 PolarHBondContact O-N 3.44Å; R229-T233 PolarHBondContact O-OG1 3Å
230L78.1Confident72.6Confident13 Ų1384.4 Ų84.47%0.06840%0.4CS..Hα-helixtrans-61.6-50.7176.6-178.769.8000111.8R159 N180 Y226 F227 Y228 R232 T233 D234R159-L230 VanDerWaalsContact NH1-CD1 3.31Å; N180-L230 WeakPolarHBondContact ND2-CD2 3.4Å; Y226-L230 VanDerWaalsContact O-CB 3.29Å; Y226-L230 WeakPolarHBondContact O-CB 3.35Å; Y226-L230 PolarHBondContact O-N 3.36Å; F227-L230 PolarHBondContact O-N 3.07Å; Y228-L230 VanDerWaalsContact C-N 3.34Å; Y228-L230 PolarHBondContact O-N 2.89Å; L230-R232 VanDerWaalsContact C-N 3.29Å; L230-R232 PolarHBondContact O-N 3.46Å; L230-T233 PolarHBondContact O-N 3.28Å; L230-T233 PolarHBondContact O-OG1 3.39Å; L230-D234 WeakPolarHBondContact O-CB 3.36Å; L230-D234 PolarHBondContact O-N 2.76Å
231L77.3Confident69.9Low52 Ų5294.2 Ų94.227%0.27243%0.434SS..Hα-helixtrans-59.9-42.4177.7-74.5-179.6000111.6L181 F227 Y228 D234 F235L181-L231 HydrophobicContact CD1-CD2 4.22Å; F227-L231 HydrophobicContact CD1-CD1 3.87Å; F227-L231 HydrophobicContact CD1-CG 4.44Å; F227-L231 HydrophobicContact CD2-CG 4.43Å; F227-L231 HydrophobicContact CE1-CD1 3.4Å; F227-L231 HydrophobicContact CE1-CG 4.12Å; F227-L231 HydrophobicContact CE2-CD1 4.27Å; F227-L231 HydrophobicContact CE2-CD2 4.26Å; F227-L231 HydrophobicContact CE2-CG 4.11Å; F227-L231 HydrophobicContact CG-CD1 4.49Å; F227-L231 HydrophobicContact CZ-CD1 3.63Å; F227-L231 HydrophobicContact CZ-CD2 4.11Å; F227-L231 HydrophobicContact CZ-CG 3.95Å; F227-L231 WeakPolarHBondContact O-CG 3.34Å; F227-L231 PolarHBondContact O-N 3.04Å; Y228-L231 PolarHBondContact O-N 3.43Å; L231-D234 PolarHBondContact O-N 3.15Å; L231-F235 HydrophobicContact CD2-CD2 3.8Å; L231-F235 HydrophobicContact CD2-CE2 3.77Å; L231-F235 WeakPolarHBondContact O-CB 3.25Å; L231-F235 PolarHBondContact O-N 2.97Å
232R77.4Confident67.3Low126 Ų12698.7 Ų98.748%0.47545%0.446SS..Hα-helixtrans-62.1-46.5177.7-171.3-174.9-177.4-150.66.8111.7Y228 R229 L230 F236Y228-R232 VanDerWaalsContact O-CB 3.3Å; Y228-R232 WeakPolarHBondContact O-CB 3.32Å; Y228-R232 PolarHBondContact O-N 3.2Å; R229-R232 PolarHBondContact O-N 2.97Å; L230-R232 VanDerWaalsContact C-N 3.29Å; L230-R232 PolarHBondContact O-N 3.46Å; R232-F236 CarbonylContact O-C 3.32Å; R232-F236 WeakPolarHBondContact O-CA 3.39Å; R232-F236 WeakPolarHBondContact O-CB 3.42Å; R232-F236 PolarHBondContact O-N 3.02Å
233T70.6Confident64.8Low45 Ų45104.4 Ų104.428%0.27648%0.482SS..Hα-helixtrans-70.3-34.2-178.549.10000112.9R159 R229 L230 D259R159-T233 PolarHBondContact NH2-OG1 3.3Å; R229-T233 WeakPolarHBondContact O-CG2 3.22Å; R229-T233 PolarHBondContact O-N 3.44Å; R229-T233 PolarHBondContact O-OG1 3Å; L230-T233 PolarHBondContact O-N 3.28Å; L230-T233 PolarHBondContact O-OG1 3.39Å; T233-D259 VanDerWaalsContact CG2-OXT 3.31Å; T233-D259 WeakPolarHBondContact CG2-OXT 3.38Å
234D69.9Low62.3Low21 Ų21107 Ų10711%0.11251%0.512CS..Hα-helixtrans-90.2-32.3-174.8-81.2-14.8000114.3R159 Y173 K177 L230 L231R159-D234 IonicContact CZ-OD1 2.87Å; R159-D234 IonicContact CZ-OD2 3.1Å; R159-D234 IonicContact NE-OD1 3.43Å; R159-D234 PolarHBondContact NE-OD1 3.14Å; R159-D234 IonicContact NE-OD2 3.54Å; R159-D234 PolarHBondContact NE-OD2 3.16Å; R159-D234 VanDerWaalsContact NH2-CG 3.28Å; R159-D234 IonicContact NH2-OD1 3.68Å; R159-D234 PolarHBondContact NH2-OD1 2.84Å; R159-D234 IonicContact NH2-OD2 3.38Å; R159-D234 PolarHBondContact NH2-OD2 3.06Å; Y173-D234 PolarHBondContact OH-OD1 3.22Å; K177-D234 HydrophobicContact CD-CB 4.03Å; K177-D234 PolarHBondContact NZ-O 2.69Å; L230-D234 WeakPolarHBondContact O-CB 3.36Å; L230-D234 PolarHBondContact O-N 2.76Å; L231-D234 PolarHBondContact O-N 3.15Å
235F66.6Low59.7Low105 Ų105112.3 Ų112.346%0.46153%0.531SS..Hα-helixtrans-110.6-22.9-176.2-66.3-86.3000113.7L181 L231 P237L181-F235 HydrophobicContact CD2-CE2 4.34Å; L181-F235 HydrophobicContact CD2-CZ 4.08Å; L231-F235 HydrophobicContact CD2-CD2 3.8Å; L231-F235 HydrophobicContact CD2-CE2 3.77Å; L231-F235 WeakPolarHBondContact O-CB 3.25Å; L231-F235 PolarHBondContact O-N 2.97Å; F235-P237 WeakPolarHBondContact O-CD 3.29Å
236F60.3Low57.1Low155 Ų155116.8 Ų116.868%0.6856%0.556SS**  trans-120.561176.5-59-80.9000111.3R232 R238R232-F236 CarbonylContact O-C 3.32Å; R232-F236 WeakPolarHBondContact O-CA 3.39Å; R232-F236 WeakPolarHBondContact O-CB 3.42Å; R232-F236 PolarHBondContact O-N 3.02Å; F236-R238 PolarHBondContact O-N 3.27Å
237P54.8Low54.6Low99 Ų99117.9 Ų117.964%0.64358%0.58SS**  trans-57.7111.3173.623.9-30000107.8F235 S239F235-P237 WeakPolarHBondContact O-CD 3.29Å; P237-S239 PolarHBondContact O-N 3.27Å
238R45.2Very low52.2Low217 Ų217122.4 Ų122.482%0.81961%0.611SS**  trans-59.2107.9172.9-154.5-179.8-168.5-172.42.3105F236 K240F236-R238 PolarHBondContact O-N 3.27Å; R238-K240 PolarHBondContact O-N 2.72Å
239S38.5Very low49.8Very low108 Ų108123.5 Ų123.576%0.75562%0.622SS**  trans-48.7109.8175.7179.70000107.1P237 R241P237-S239 PolarHBondContact O-N 3.27Å; S239-R241 PolarHBondContact O-N 3.17Å
240K41.6Very low47.4Very low169 Ų169126 Ų12674%0.73564%0.641SS**  trans-64.698.8168.9-87.7-174175.7-178.90104.4R238 Y242R238-K240 PolarHBondContact O-N 2.72Å; K240-Y242 PolarHBondContact O-N 2.9Å
241R31.5Very low45.1Very low241 Ų241132.8 Ų132.891%0.90968%0.677SS**  trans-56.292.4159.1-112.5-178.1170.7-178.5-2.8106.4S239 T243S239-R241 PolarHBondContact O-N 3.17Å; R241-T243 PolarHBondContact O-N 2.98Å
242Y34.6Very low43Very low201 Ų201138.4 Ų138.479%0.78871%0.708SS**  trans-66.4117.4150.1-87.7-87.9000105.4K240K240-Y242 PolarHBondContact O-N 2.9Å
243T33.2Very low41Very low142 Ų142136.6 Ų136.687%0.87171%0.714SS**  158.3123121-47.90000108.9R241R241-T243 PolarHBondContact O-N 2.98Å
244G33.1Very low39.3Very low69 Ų69143 Ų14371%0.71174%0.738SS**  trans112.587.715700000116.2
245Q30Very low37.8Very low201 Ų201150.8 Ų150.894%0.93977%0.771SS**  -173.3123.9116-103.2175.5-3.900111.7
246N31.6Very low36.5Very low168 Ų168150 Ų15090%0.89877%0.768SS**  trans-52.4149.4160.7-75.1-27.4000111.2
247G29.9Very low35.4Very low64 Ų64149.5 Ų149.566%0.6677%0.772SS**  trans116.6111.5150.300000116
248T29.5Very low34.4Very low140 Ų140149.6 Ų149.686%0.85977%0.774SS**  trans63.3108.3137.5510000119.9
249H30.6Very low34Very low177 Ų177142.2 Ų142.282%0.81975%0.751SS**  69.9126.5129-125.1-96.9000120.1
250N32.1Very low33.8Very low133 Ų133144 Ų14471%0.71175%0.751SS**  trans71.2105151-120.34.4000118.2
251N28.8Very low33.4Very low155 Ų155142.6 Ų142.683%0.82975%0.752SS**  -166.6118.1127-106.6-31.7000113.6S253N251-S253 PolarHBondContact O-N 3.39Å
252N33.3Very low33.5Very low171 Ų171137.2 Ų137.291%0.91474%0.743SS**  trans-67.174.7162.1-100.8-20.1000110.4
253S34.8Very low33.5Very low87 Ų87133.4 Ų133.461%0.60874%0.741SS**  trans-140.190.7160.9-173.70000107.2N251 K255N251-S253 PolarHBondContact O-N 3.39Å; S253-K255 PolarHBondContact O-N 3.04Å
254K36.5Very low33.5Very low180 Ų180132.9 Ų132.978%0.78373%0.732SS**  trans-66.771.7158.6-73.6-170.8179.3-174.80107.1F256K254-F256 PolarHBondContact O-N 3.18Å
255K37.6Very low33.5Very low185 Ų185137.1 Ų137.180%0.80473%0.734SS**  trans-57.7121.4168.5-166.4172.2-173.5172.60105.6S253 L257S253-K255 PolarHBondContact O-N 3.04Å; K255-L257 PolarHBondContact O-N 3Å; K255-L257 VanDerWaalsContact O-N 3.09Å
256F38.3Very low33.7Very low87 Ų87132.6 Ų132.638%0.38272%0.719SS.*  trans-30.8116.9172.3-127.7-106.3000108.7G115 K254 S258G115-F256 WeakPolarHBondContact O-CE2 3.48Å; G115-F256 WeakPolarHBondContact O-CZ 3.2Å; K254-F256 PolarHBondContact O-N 3.18Å; F256-S258 PolarHBondContact O-N 3.47Å
257L37.9Very low33.9Very low146 Ų146129.8 Ų129.876%0.76471%0.705SS**  trans-47.6111.7167.9-87.9161.5000105.4K255 D259K255-L257 PolarHBondContact O-N 3Å; K255-L257 VanDerWaalsContact O-N 3.09Å; L257-D259 PolarHBondContact O-N 2.87Å
258S33.5Very low34.2Very low100 Ų100135.3 Ų135.370%0.69971%0.709SS**  trans-42.1104.5-17546.90000110F256F256-S258 PolarHBondContact O-N 3.47Å
259D38Very low34.7Very low63 Ų63134.9 Ų134.934%0.33770%0.696SS.*  trans-95.60167.6-77.2-27.9000108.2K48 K163 T233 L257K48-D259 IonicContact NZ-OD2 3.89Å; K163-D259 IonicContact NZ-OD1 3.64Å; K163-D259 PolarHBondContact NZ-OD1 3.34Å; T233-D259 VanDerWaalsContact CG2-OXT 3.31Å; T233-D259 WeakPolarHBondContact CG2-OXT 3.38Å; L257-D259 PolarHBondContact O-N 2.87Å

Retrieved 259 of 259 residues in 563.9 ms (Link to these results)