A0A077ZG75_TRITR Loading...

Tetraspanin

AlphaFold DB , UniProt , Accession A0A077ZG75, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 265 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
1M51.2Low72.6Confident215 Ų21586 Ų86100%1.05945%0.448SS*.  0-31.60-87165.7164.600113.8F3 L4M1-F3 PolarHBondContact O-N 3.5Å; M1-F3 VanDerWaalsContact O-N 3.11Å; M1-L4 PolarHBondContact O-N 3.44Å
2Q63.3Low73.5Confident183 Ų18382.8 Ų82.886%0.85544%0.444SS*.THydrogen-bonded Turntrans-62.6-13.9177.8-72.8173-26.400116.2P5Q2-P5 WeakPolarHBondContact O-CD 3.44Å; Q2-P5 WeakPolarHBondContact O-CG 3.39Å
3F71.7Confident74.3Confident81 Ų8188.6 Ų88.636%0.35546%0.463SS..Hα-helixtrans-78.9-29.2-178.1-161.4-109.4000113.4M1 L7M1-F3 PolarHBondContact O-N 3.5Å; M1-F3 VanDerWaalsContact O-N 3.11Å; F3-L7 HydrophobicContact CD1-CD1 3.52Å; F3-L7 HydrophobicContact CD1-CD2 4.27Å; F3-L7 HydrophobicContact CD1-CG 3.81Å; F3-L7 HydrophobicContact CE1-CD1 3.6Å; F3-L7 HydrophobicContact CE1-CD2 3.71Å; F3-L7 HydrophobicContact CE1-CG 3.77Å; F3-L7 HydrophobicContact CZ-CD2 4.12Å; F3-L7 HydrophobicContact CZ-CG 4.49Å; F3-L7 VanDerWaalsContact O-CG 3.32Å; F3-L7 WeakPolarHBondContact O-CG 3.39Å; F3-L7 PolarHBondContact O-N 3.46Å; F3-L7 VanDerWaalsContact O-N 3.15Å
4L69.5Low74.9Confident82 Ų8283.5 Ų83.543%0.42944%0.436SS..Hα-helixtrans-63.3-44.6-178.5-85132.1000115.3M1 F6 L7 A8M1-L4 PolarHBondContact O-N 3.44Å; L4-F6 PolarHBondContact O-N 3.11Å; L4-L7 PolarHBondContact O-N 2.94Å; L4-A8 PolarHBondContact O-N 3.08Å
5P74.5Confident75.6Confident75 Ų7581.8 Ų81.849%0.48742%0.424SS..Hα-helixtrans-62.8-43.2177.822.7-33.3000111.7Q2 L7 A8 D9Q2-P5 WeakPolarHBondContact O-CD 3.44Å; Q2-P5 WeakPolarHBondContact O-CG 3.39Å; P5-L7 VanDerWaalsContact C-N 3.29Å; P5-L7 PolarHBondContact O-N 3.47Å; P5-A8 WeakPolarHBondContact O-CB 3.32Å; P5-A8 PolarHBondContact O-N 3.49Å; P5-D9 PolarHBondContact O-N 3.02Å
6F78.5Confident76.2Confident106 Ų10683.1 Ų83.147%0.46544%0.436SS..Hα-helixtrans-57.6-41.3175.8178.2-100.2000112.5L4 D9 V10L4-F6 PolarHBondContact O-N 3.11Å; F6-D9 PolarHBondContact O-N 3.31Å; F6-V10 HydrophobicContact CD1-CG2 4.44Å; F6-V10 HydrophobicContact CE1-CG2 4.03Å; F6-V10 HydrophobicContact CE2-CG2 4.29Å; F6-V10 HydrophobicContact CZ-CG2 3.95Å; F6-V10 VanDerWaalsContact O-CG2 3.31Å; F6-V10 WeakPolarHBondContact O-CG2 3.28Å; F6-V10 PolarHBondContact O-N 3.15Å; F6-V10 VanDerWaalsContact O-N 3.08Å
7L75.7Confident76.8Confident14 Ų1481.4 Ų81.47%0.07342%0.423CS..Hα-helixtrans-65.7-39.4175.2-69.3179.9000112.9F3 L4 P5 S11 T75 V246 L250F3-L7 HydrophobicContact CD1-CD1 3.52Å; F3-L7 HydrophobicContact CD1-CD2 4.27Å; F3-L7 HydrophobicContact CD1-CG 3.81Å; F3-L7 HydrophobicContact CE1-CD1 3.6Å; F3-L7 HydrophobicContact CE1-CD2 3.71Å; F3-L7 HydrophobicContact CE1-CG 3.77Å; F3-L7 HydrophobicContact CZ-CD2 4.12Å; F3-L7 HydrophobicContact CZ-CG 4.49Å; F3-L7 VanDerWaalsContact O-CG 3.32Å; F3-L7 WeakPolarHBondContact O-CG 3.39Å; F3-L7 PolarHBondContact O-N 3.46Å; F3-L7 VanDerWaalsContact O-N 3.15Å; L4-L7 PolarHBondContact O-N 2.94Å; P5-L7 VanDerWaalsContact C-N 3.29Å; P5-L7 PolarHBondContact O-N 3.47Å; L7-S11 WeakPolarHBondContact O-CB 3.31Å; L7-S11 PolarHBondContact O-N 3.44Å; L7-S11 PolarHBondContact O-OG 3.17Å; L7-T75 HydrophobicContact CD1-CG2 3.94Å; L7-V246 HydrophobicContact CD2-CG1 3.07Å; L7-L250 HydrophobicContact CD1-CD2 4.35Å
8A73.8Confident77.2Confident47 Ų4777.7 Ų77.739%0.38841%0.408SS..Hα-helixtrans-63-45.2177.800000110.6L4 P5 S11 A12L4-A8 PolarHBondContact O-N 3.08Å; P5-A8 WeakPolarHBondContact O-CB 3.32Å; P5-A8 PolarHBondContact O-N 3.49Å; A8-S11 PolarHBondContact O-N 2.98Å; A8-S11 PolarHBondContact O-OG 3.07Å; A8-A12 PolarHBondContact O-N 3.06Å
9D80.3Confident77.8Confident97 Ų9779.2 Ų79.252%0.51942%0.416SS..Hα-helixtrans-61.1-50.4178-63.8-26.7000111.3P5 F6 S11 A12 F13P5-D9 PolarHBondContact O-N 3.02Å; F6-D9 PolarHBondContact O-N 3.31Å; D9-S11 VanDerWaalsContact C-N 3.3Å; D9-S11 PolarHBondContact O-N 3.29Å; D9-A12 WeakPolarHBondContact O-CB 3.35Å; D9-A12 PolarHBondContact O-N 3.25Å; D9-A12 VanDerWaalsContact O-N 3.09Å; D9-F13 WeakPolarHBondContact O-CD2 3.43Å; D9-F13 PolarHBondContact O-N 3.44Å
10V80.4Confident78.3Confident28 Ų2877.8 Ų77.817%0.1742%0.416CS..Hα-helixtrans-56.8-44.3175.8169.50000111.2F6 A12 F13 L14 F242F6-V10 HydrophobicContact CD1-CG2 4.44Å; F6-V10 HydrophobicContact CE1-CG2 4.03Å; F6-V10 HydrophobicContact CE2-CG2 4.29Å; F6-V10 HydrophobicContact CZ-CG2 3.95Å; F6-V10 VanDerWaalsContact O-CG2 3.31Å; F6-V10 WeakPolarHBondContact O-CG2 3.28Å; F6-V10 PolarHBondContact O-N 3.15Å; F6-V10 VanDerWaalsContact O-N 3.08Å; V10-A12 VanDerWaalsContact C-N 3.29Å; V10-A12 PolarHBondContact O-N 3.43Å; V10-F13 PolarHBondContact O-N 3.42Å; V10-L14 HydrophobicContact CG1-CD1 4.03Å; V10-L14 HydrophobicContact CG1-CG 4.49Å; V10-L14 WeakPolarHBondContact O-CG 3.25Å; V10-L14 PolarHBondContact O-N 3.07Å; V10-F242 HydrophobicContact CG1-CD1 4.21Å; V10-F242 HydrophobicContact CG1-CE1 3.77Å; V10-F242 HydrophobicContact CG2-CE1 4.22Å
11S80.3Confident78.5Confident18 Ų1875.8 Ų75.813%0.12641%0.405CS..Hα-helixtrans-64.8-33.5178.980.30000112.6L7 A8 D9 L14 K15L7-S11 WeakPolarHBondContact O-CB 3.31Å; L7-S11 PolarHBondContact O-N 3.44Å; L7-S11 PolarHBondContact O-OG 3.17Å; A8-S11 PolarHBondContact O-N 2.98Å; A8-S11 PolarHBondContact O-OG 3.07Å; D9-S11 VanDerWaalsContact C-N 3.3Å; D9-S11 PolarHBondContact O-N 3.29Å; S11-L14 PolarHBondContact O-N 3.12Å; S11-K15 VanDerWaalsContact O-CG 3.25Å; S11-K15 WeakPolarHBondContact O-CG 3.4Å; S11-K15 PolarHBondContact O-N 3.33Å
12A82.7Confident80.2Confident48 Ų4866.2 Ų66.240%0.39736%0.359SS..Hα-helixtrans-66.8-45.617600000110.7A8 D9 V10 L14 K15 V16A8-A12 PolarHBondContact O-N 3.06Å; D9-A12 WeakPolarHBondContact O-CB 3.35Å; D9-A12 PolarHBondContact O-N 3.25Å; D9-A12 VanDerWaalsContact O-N 3.09Å; V10-A12 VanDerWaalsContact C-N 3.29Å; V10-A12 PolarHBondContact O-N 3.43Å; A12-L14 VanDerWaalsContact C-N 3.34Å; A12-L14 PolarHBondContact O-N 3.37Å; A12-K15 PolarHBondContact O-N 3.25Å; A12-V16 WeakPolarHBondContact O-CG2 3.4Å; A12-V16 PolarHBondContact O-N 2.93Å
13F83.9Confident81.4Confident158 Ų15859.4 Ų59.469%0.69334%0.337SS*.Hα-helixtrans-59.2-44174.7-74.2-68.3000112.2D9 V10 K15 V16 Y17D9-F13 WeakPolarHBondContact O-CD2 3.43Å; D9-F13 PolarHBondContact O-N 3.44Å; V10-F13 PolarHBondContact O-N 3.42Å; F13-K15 VanDerWaalsContact C-N 3.34Å; F13-K15 PolarHBondContact O-N 3.23Å; F13-V16 PolarHBondContact O-N 3.42Å; F13-Y17 WeakPolarHBondContact O-CB 3.46Å; F13-Y17 PolarHBondContact O-N 3.35Å
14L83.4Confident82.1Confident17 Ų1758.2 Ų58.29%0.08933%0.334CS..Hα-helixtrans-62.9-38.4177.8-70.2171.3000112.5V10 S11 A12 Y17 G18 V68 L239 A243V10-L14 HydrophobicContact CG1-CD1 4.03Å; V10-L14 HydrophobicContact CG1-CG 4.49Å; V10-L14 WeakPolarHBondContact O-CG 3.25Å; V10-L14 PolarHBondContact O-N 3.07Å; S11-L14 PolarHBondContact O-N 3.12Å; A12-L14 VanDerWaalsContact C-N 3.34Å; A12-L14 PolarHBondContact O-N 3.37Å; L14-Y17 PolarHBondContact O-N 2.94Å; L14-G18 PolarHBondContact O-N 3.17Å; L14-V68 HydrophobicContact CB-CG1 3.82Å; L14-L239 HydrophobicContact CD2-CB 3.75Å; L14-L239 HydrophobicContact CD2-CD2 4.16Å; L14-L239 HydrophobicContact CD2-CG 4.38Å; L14-A243 HydrophobicContact CD1-CB 3.66Å
15K84.2Confident82.7Confident58 Ų5854.8 Ų54.825%0.25232%0.317SS..Hα-helixtrans-65.7-45175.7-71.6167.4-170.1170.90111.9S11 A12 F13 Y17 G18 L19 F65 V68 C72S11-K15 VanDerWaalsContact O-CG 3.25Å; S11-K15 WeakPolarHBondContact O-CG 3.4Å; S11-K15 PolarHBondContact O-N 3.33Å; A12-K15 PolarHBondContact O-N 3.25Å; F13-K15 VanDerWaalsContact C-N 3.34Å; F13-K15 PolarHBondContact O-N 3.23Å; K15-Y17 VanDerWaalsContact C-N 3.31Å; K15-Y17 PolarHBondContact O-N 3.44Å; K15-G18 PolarHBondContact O-N 3.33Å; K15-L19 WeakPolarHBondContact O-CB 3.4Å; K15-L19 PolarHBondContact O-N 2.78Å; K15-F65 HydrophobicContact CB-CE2 4.41Å; K15-V68 HydrophobicContact CG-CG1 3.7Å; K15-C72 PolarHBondContact NZ-SG 2.87Å
16V86.6Confident83.4Confident103 Ų10355.9 Ų55.962%0.62431%0.314SS*.Hα-helixtrans-61.4-44.9177.6173.30000110.1A12 F13 L19 A20A12-V16 WeakPolarHBondContact O-CG2 3.4Å; A12-V16 PolarHBondContact O-N 2.93Å; F13-V16 PolarHBondContact O-N 3.42Å; V16-L19 PolarHBondContact O-N 3.09Å; V16-A20 WeakPolarHBondContact O-CB 3.34Å; V16-A20 PolarHBondContact O-N 3.25Å
17Y85.2Confident83.7Confident53 Ų5358 Ų5821%0.20832%0.319CS..Hα-helixtrans-62.3-46.3176.5-173.9-99.2000112.3F13 L14 K15 L19 A20 L21 L232 A236 L239F13-Y17 WeakPolarHBondContact O-CB 3.46Å; F13-Y17 PolarHBondContact O-N 3.35Å; L14-Y17 PolarHBondContact O-N 2.94Å; K15-Y17 VanDerWaalsContact C-N 3.31Å; K15-Y17 PolarHBondContact O-N 3.44Å; Y17-L19 VanDerWaalsContact C-N 3.35Å; Y17-L19 PolarHBondContact O-N 2.95Å; Y17-A20 WeakPolarHBondContact O-CB 3.36Å; Y17-A20 PolarHBondContact O-N 2.91Å; Y17-L21 HydrophobicContact CD1-CD1 3.88Å; Y17-L21 HydrophobicContact CD1-CG 4.27Å; Y17-L21 HydrophobicContact CE1-CD1 3.33Å; Y17-L21 HydrophobicContact CE1-CD2 4.42Å; Y17-L21 HydrophobicContact CE1-CG 3.87Å; Y17-L21 PolarHBondContact O-N 3.35Å; Y17-L232 PolarHBondContact OH-O 3.34Å; Y17-A236 HydrophobicContact CE1-CB 3.66Å; Y17-A236 PolarHBondContact OH-N 3.32Å; Y17-L239 HydrophobicContact CD1-CD1 3.63Å; Y17-L239 HydrophobicContact CD2-CD1 4.03Å; Y17-L239 HydrophobicContact CE1-CD1 3.72Å; Y17-L239 HydrophobicContact CE2-CD1 4.13Å; Y17-L239 HydrophobicContact CG-CD1 3.79Å
18G84.7Confident84Confident15 Ų1558.6 Ų58.616%0.15532%0.322CS..Hα-helixtrans-61.7-40.2176.800000113L14 K15 L21 L22L14-G18 PolarHBondContact O-N 3.17Å; K15-G18 PolarHBondContact O-N 3.33Å; G18-L21 PolarHBondContact O-N 3.49Å; G18-L22 WeakPolarHBondContact O-CG 3.4Å; G18-L22 PolarHBondContact O-N 3.35Å
19L88.3Confident84.3Confident106 Ų10658.2 Ų58.256%0.55531%0.312SS*.Hα-helixtrans-66.4-39.3175.3-173.865000111.8K15 V16 Y17 L22 G23 F65K15-L19 WeakPolarHBondContact O-CB 3.4Å; K15-L19 PolarHBondContact O-N 2.78Å; V16-L19 PolarHBondContact O-N 3.09Å; Y17-L19 VanDerWaalsContact C-N 3.35Å; Y17-L19 PolarHBondContact O-N 2.95Å; L19-L22 PolarHBondContact O-N 3Å; L19-G23 PolarHBondContact O-N 3.2Å; L19-F65 HydrophobicContact CB-CE2 4.13Å
20A87.6Confident84.6Confident52 Ų5260.3 Ų60.343%0.4332%0.317SS..Hα-helixtrans-63.1-44.4175.200000111.6V16 Y17 G23 I24V16-A20 WeakPolarHBondContact O-CB 3.34Å; V16-A20 PolarHBondContact O-N 3.25Å; Y17-A20 WeakPolarHBondContact O-CB 3.36Å; Y17-A20 PolarHBondContact O-N 2.91Å; A20-G23 PolarHBondContact O-N 3.22Å; A20-I24 WeakPolarHBondContact O-CG1 3.08Å; A20-I24 PolarHBondContact O-N 2.98Å
21L83.8Confident84.8Confident35 Ų3561.1 Ų61.118%0.18332%0.32CS..Hα-helixtrans-61.9-43.1175.3-73.1-178000112.4Y17 G18 G23 I24 C25 L232 A236Y17-L21 HydrophobicContact CD1-CD1 3.88Å; Y17-L21 HydrophobicContact CD1-CG 4.27Å; Y17-L21 HydrophobicContact CE1-CD1 3.33Å; Y17-L21 HydrophobicContact CE1-CD2 4.42Å; Y17-L21 HydrophobicContact CE1-CG 3.87Å; Y17-L21 PolarHBondContact O-N 3.35Å; G18-L21 PolarHBondContact O-N 3.49Å; L21-G23 VanDerWaalsContact C-N 3.31Å; L21-G23 PolarHBondContact O-N 3.42Å; L21-I24 HydrophobicContact CD2-CD1 4.42Å; L21-I24 WeakPolarHBondContact O-CB 3.33Å; L21-I24 PolarHBondContact O-N 3.06Å; L21-I24 VanDerWaalsContact O-N 3.1Å; L21-C25 PolarHBondContact O-N 3.43Å; L21-C25 PolarHBondContact O-SG 3.16Å; L21-L232 HydrophobicContact CD2-CB 4.32Å; L21-A236 HydrophobicContact CD1-CB 3.89Å
22L86.6Confident84.6Confident15 Ų1561.9 Ų61.98%0.07933%0.325CS..Hα-helixtrans-58.5-44.4172.8-82.2174.4000111.9G18 L19 I24 C25 F26 A62 F65G18-L22 WeakPolarHBondContact O-CG 3.4Å; G18-L22 PolarHBondContact O-N 3.35Å; L19-L22 PolarHBondContact O-N 3Å; L22-I24 VanDerWaalsContact C-N 3.28Å; L22-I24 PolarHBondContact O-N 3.24Å; L22-C25 PolarHBondContact O-N 3.03Å; L22-F26 WeakPolarHBondContact O-CD2 3.48Å; L22-F26 PolarHBondContact O-N 3.22Å; L22-A62 HydrophobicContact CD2-CB 4.03Å; L22-F65 HydrophobicContact CD1-CB 3.67Å; L22-F65 HydrophobicContact CD1-CD1 4.22Å; L22-F65 HydrophobicContact CD1-CD2 4.4Å; L22-F65 HydrophobicContact CD1-CG 3.85Å
23G88.7Confident84.3Confident39 Ų3964.8 Ų64.840%0.40233%0.325SS..Hα-helixtrans-57.2-40.6173.300000112.3L19 A20 L21 F26 W27L19-G23 PolarHBondContact O-N 3.2Å; A20-G23 PolarHBondContact O-N 3.22Å; L21-G23 VanDerWaalsContact C-N 3.31Å; L21-G23 PolarHBondContact O-N 3.42Å; G23-F26 PolarHBondContact O-N 2.97Å; G23-W27 VanDerWaalsContact O-CB 3.31Å; G23-W27 WeakPolarHBondContact O-CB 3.36Å; G23-W27 PolarHBondContact O-N 3.3Å
24I84.6Confident84.1Confident57 Ų5761 Ų6129%0.29231%0.306SS..Hα-helixtrans-66.9-44175.6-66.6165.7000111.3A20 L21 L22 F26 W27 M28 L232A20-I24 WeakPolarHBondContact O-CG1 3.08Å; A20-I24 PolarHBondContact O-N 2.98Å; L21-I24 HydrophobicContact CD2-CD1 4.42Å; L21-I24 WeakPolarHBondContact O-CB 3.33Å; L21-I24 PolarHBondContact O-N 3.06Å; L21-I24 VanDerWaalsContact O-N 3.1Å; L22-I24 VanDerWaalsContact C-N 3.28Å; L22-I24 PolarHBondContact O-N 3.24Å; I24-F26 VanDerWaalsContact C-N 3.32Å; I24-F26 PolarHBondContact O-N 2.93Å; I24-W27 WeakPolarHBondContact O-CB 3.38Å; I24-W27 PolarHBondContact O-N 3.01Å; I24-M28 HydrophobicContact CG2-CE 4.38Å; I24-M28 WeakPolarHBondContact O-CG 3.14Å; I24-M28 PolarHBondContact O-N 3.47Å; I24-L232 HydrophobicContact CD1-CD1 3.8Å
25C83.9Confident83.8Confident10 Ų1065.6 Ų65.67%0.06832%0.323CS..Hα-helixtrans-60.2-42.5175.9-69.40000111.9L21 L22 M28 Q29 T58L21-C25 PolarHBondContact O-N 3.43Å; L21-C25 PolarHBondContact O-SG 3.16Å; L22-C25 PolarHBondContact O-N 3.03Å; C25-M28 PolarHBondContact O-N 2.93Å; C25-Q29 PolarHBondContact O-N 3.39Å; C25-Q29 PolarHBondContact O-NE2 3.09Å; C25-T58 HydrophobicContact CB-CG2 4.25Å
26F88Confident83.2Confident97 Ų9763.2 Ų63.243%0.42531%0.313SS..Hα-helixtrans-67.8-41.7174.5-75.4-53.8000111.8L22 G23 I24 M28 Q29 F30 T58L22-F26 WeakPolarHBondContact O-CD2 3.48Å; L22-F26 PolarHBondContact O-N 3.22Å; G23-F26 PolarHBondContact O-N 2.97Å; I24-F26 VanDerWaalsContact C-N 3.32Å; I24-F26 PolarHBondContact O-N 2.93Å; F26-M28 VanDerWaalsContact C-N 3.31Å; F26-M28 PolarHBondContact O-N 2.86Å; F26-Q29 PolarHBondContact O-N 3.05Å; F26-Q29 VanDerWaalsContact O-N 3.14Å; F26-F30 HydrophobicContact CB-CD2 3.96Å; F26-F30 HydrophobicContact CB-CE2 4.09Å; F26-F30 HydrophobicContact CD1-CD2 4.16Å; F26-F30 AromaticContact CD1-CE2 3.47Å; F26-F30 HydrophobicContact CD1-CE2 3.47Å; F26-F30 VanDerWaalsContact CD1-CE2 3.47Å; F26-F30 HydrophobicContact CD1-CZ 4.35Å; F26-F30 HydrophobicContact CE1-CE2 4.25Å; F26-F30 HydrophobicContact CG-CD2 4.48Å; F26-F30 HydrophobicContact CG-CE2 4.11Å; F26-F30 WeakPolarHBondContact O-CB 3.27Å; F26-F30 WeakPolarHBondContact O-CD2 3.29Å; F26-F30 PolarHBondContact O-N 3.49Å; F26-T58 HydrophobicContact CE1-CG2 4.14Å; F26-T58 HydrophobicContact CZ-CG2 4.42Å
27W86.1Confident82.5Confident152 Ų15258.9 Ų58.958%0.57629%0.288SS*.Hα-helixtrans-55.5-48.9174.1-170-47.8000110.2G23 I24 Q29 F30 D31 R34G23-W27 VanDerWaalsContact O-CB 3.31Å; G23-W27 WeakPolarHBondContact O-CB 3.36Å; G23-W27 PolarHBondContact O-N 3.3Å; I24-W27 WeakPolarHBondContact O-CB 3.38Å; I24-W27 PolarHBondContact O-N 3.01Å; W27-Q29 VanDerWaalsContact C-N 3.27Å; W27-Q29 PolarHBondContact O-N 3.34Å; W27-F30 PolarHBondContact O-N 2.72Å; W27-D31 PolarHBondContact NE1-OD2 2.99Å; W27-D31 WeakPolarHBondContact O-CB 3.43Å; W27-D31 PolarHBondContact O-N 3.25Å; W27-R34 VanDerWaalsContact CD1-NE 3.31Å
28M80.6Confident81.7Confident26 Ų2658.2 Ų58.213%0.12829%0.288CS..Hα-helixtrans-60.6-34.9179.3-70.6-167.4-63.700113.2I24 C25 F26 R35 I229I24-M28 HydrophobicContact CG2-CE 4.38Å; I24-M28 WeakPolarHBondContact O-CG 3.14Å; I24-M28 PolarHBondContact O-N 3.47Å; C25-M28 PolarHBondContact O-N 2.93Å; F26-M28 VanDerWaalsContact C-N 3.31Å; F26-M28 PolarHBondContact O-N 2.86Å; M28-R35 PolarHBondContact O-N 3.03Å; M28-I229 HydrophobicContact SD-CD1 3.78Å; M28-I229 HydrophobicContact SD-CG1 4.42Å
29Q81.4Confident81.1Confident38 Ų3859.4 Ų59.418%0.17829%0.291CS..Hα-helixtrans-80-37.8179.1-76.9170.598.400113.3C25 F26 W27 R35 V54 T58C25-Q29 PolarHBondContact O-N 3.39Å; C25-Q29 PolarHBondContact O-NE2 3.09Å; F26-Q29 PolarHBondContact O-N 3.05Å; F26-Q29 VanDerWaalsContact O-N 3.14Å; W27-Q29 VanDerWaalsContact C-N 3.27Å; W27-Q29 PolarHBondContact O-N 3.34Å; Q29-R35 PolarHBondContact O-NE 2.88Å; Q29-R35 PolarHBondContact O-NH2 3.41Å; Q29-V54 HydrophobicContact CG-CG1 4.02Å; Q29-T58 PolarHBondContact NE2-OG1 2.96Å
30F85.4Confident80.2Confident142 Ų14254.4 Ų54.462%0.62326%0.264SS*.Hα-helixtrans-93.4-24.2-173.5-68.2-59.6000113.6F26 W27 P32F26-F30 HydrophobicContact CB-CD2 3.96Å; F26-F30 HydrophobicContact CB-CE2 4.09Å; F26-F30 HydrophobicContact CD1-CD2 4.16Å; F26-F30 AromaticContact CD1-CE2 3.47Å; F26-F30 HydrophobicContact CD1-CE2 3.47Å; F26-F30 VanDerWaalsContact CD1-CE2 3.47Å; F26-F30 HydrophobicContact CD1-CZ 4.35Å; F26-F30 HydrophobicContact CE1-CE2 4.25Å; F26-F30 HydrophobicContact CG-CD2 4.48Å; F26-F30 HydrophobicContact CG-CE2 4.11Å; F26-F30 WeakPolarHBondContact O-CB 3.27Å; F26-F30 WeakPolarHBondContact O-CD2 3.29Å; F26-F30 PolarHBondContact O-N 3.49Å; W27-F30 PolarHBondContact O-N 2.72Å; F30-P32 VanDerWaalsContact O-CD 3.26Å; F30-P32 WeakPolarHBondContact O-CD 3.35Å
31D84.2Confident79.2Confident44 Ų4453.4 Ų53.424%0.23525%0.253CS..  trans-75.4112.5175.1-171-30.7000109.4W27 R33 R34 R35W27-D31 PolarHBondContact NE1-OD2 2.99Å; W27-D31 WeakPolarHBondContact O-CB 3.43Å; W27-D31 PolarHBondContact O-N 3.25Å; D31-R33 PolarHBondContact O-N 3.18Å; D31-R33 VanDerWaalsContact OD1-CB 3.28Å; D31-R33 WeakPolarHBondContact OD1-CB 3.38Å; D31-R33 PolarHBondContact OD1-N 3.43Å; D31-R34 HydrophobicContact CB-CB 4.34Å; D31-R34 HydrophobicContact CB-CG 4.24Å; D31-R34 PolarHBondContact O-N 3.3Å; D31-R35 PolarHBondContact O-N 3.36Å
32P76.5Confident78.3Confident35 Ų3552.1 Ų52.123%0.22725%0.247CC..Hα-helixtrans-57.7-33.1-177.124.3-35.6000112.2F30 R34 V36 Y143 Y184F30-P32 VanDerWaalsContact O-CD 3.26Å; F30-P32 WeakPolarHBondContact O-CD 3.35Å; P32-R34 VanDerWaalsContact C-N 3.28Å; P32-R34 PolarHBondContact O-N 2.78Å; P32-V36 WeakPolarHBondContact O-CG2 3.17Å; P32-V36 PolarHBondContact O-N 3.43Å; P32-Y143 HydrophobicContact CB-CE2 4.09Å; P32-Y143 HydrophobicContact CG-CE2 4.38Å; P32-Y143 WeakPolarHBondContact CG-OH 3.46Å; P32-Y184 HydrophobicContact CB-CE2 4.48Å; P32-Y184 HydrophobicContact CG-CE2 3.92Å; P32-Y184 WeakPolarHBondContact CG-OH 2.98Å
33R77.2Confident77.1Confident108 Ų10855.1 Ų55.141%0.40826%0.258SS..Hα-helixtrans-63.1-36.7178.1179.2170-176.6-165.41.7112.3D31 Y143D31-R33 PolarHBondContact O-N 3.18Å; D31-R33 VanDerWaalsContact OD1-CB 3.28Å; D31-R33 WeakPolarHBondContact OD1-CB 3.38Å; D31-R33 PolarHBondContact OD1-N 3.43Å; R33-Y143 HydrophobicContact CB-CD1 3.7Å; R33-Y143 HydrophobicContact CB-CD2 3.97Å; R33-Y143 HydrophobicContact CB-CE1 3.91Å; R33-Y143 HydrophobicContact CB-CE2 4.19Å; R33-Y143 HydrophobicContact CB-CG 3.75Å; R33-Y143 HydrophobicContact CG-CD1 3.86Å; R33-Y143 HydrophobicContact CG-CD2 4.31Å; R33-Y143 HydrophobicContact CG-CG 3.74Å
34R78.9Confident75.9Confident79 Ų7955.6 Ų55.630%0.29825%0.249SC..Hα-helixtrans-86.8-37-178.7-61.6-173.1-173.8-105.73.2111.6W27 D31 P32 V36 A37 L38 W221 N225W27-R34 VanDerWaalsContact CD1-NE 3.31Å; D31-R34 HydrophobicContact CB-CB 4.34Å; D31-R34 HydrophobicContact CB-CG 4.24Å; D31-R34 PolarHBondContact O-N 3.3Å; P32-R34 VanDerWaalsContact C-N 3.28Å; P32-R34 PolarHBondContact O-N 2.78Å; R34-V36 PolarHBondContact O-N 3.37Å; R34-A37 WeakPolarHBondContact O-CB 3.25Å; R34-A37 PolarHBondContact O-N 2.84Å; R34-L38 PolarHBondContact O-N 2.96Å; R34-W221 HydrophobicContact CG-CZ2 4.25Å; R34-N225 PolarHBondContact NH1-OD1 3.46Å
35R77.3Confident74.7Confident114 Ų11457.3 Ų57.343%0.4326%0.256SS..Hα-helixtrans-54.4-39.1175.4-174.7-175.9-69.9-163.4-3.4111.6M28 Q29 D31 A37 L38 D39M28-R35 PolarHBondContact O-N 3.03Å; Q29-R35 PolarHBondContact O-NE 2.88Å; Q29-R35 PolarHBondContact O-NH2 3.41Å; D31-R35 PolarHBondContact O-N 3.36Å; R35-A37 PolarHBondContact O-N 3.37Å; R35-L38 WeakPolarHBondContact O-CA 3.42Å; R35-L38 VanDerWaalsContact O-CB 3.26Å; R35-L38 WeakPolarHBondContact O-CB 3.44Å; R35-L38 PolarHBondContact O-N 3.01Å; R35-D39 PolarHBondContact O-N 3.27Å
36V72.8Confident73.6Confident8 Ų862 Ų625%0.04828%0.28CS..Hα-helixtrans-57.1-36.1177.8169.10000113.4P32 R34 D39 Y40 L136 T139 V140P32-V36 WeakPolarHBondContact O-CG2 3.17Å; P32-V36 PolarHBondContact O-N 3.43Å; R34-V36 PolarHBondContact O-N 3.37Å; V36-D39 PolarHBondContact O-N 3.09Å; V36-Y40 WeakPolarHBondContact O-CB 3.43Å; V36-Y40 PolarHBondContact O-N 3.06Å; V36-L136 HydrophobicContact CG1-CD1 3.99Å; V36-T139 HydrophobicContact CB-CG2 4.43Å; V36-T139 HydrophobicContact CG2-CG2 3.1Å; V36-V140 HydrophobicContact CG1-CB 4.27Å; V36-V140 HydrophobicContact CG1-CG2 3.21Å
37A70.3Confident72.1Confident12 Ų1261.8 Ų61.810%0.09928%0.284CS..Hα-helixtrans-72-33.617600000112.2R34 R35 V41 W221R34-A37 WeakPolarHBondContact O-CB 3.25Å; R34-A37 PolarHBondContact O-N 2.84Å; R35-A37 PolarHBondContact O-N 3.37Å; A37-V41 WeakPolarHBondContact O-CG2 3.38Å; A37-V41 PolarHBondContact O-N 3.12Å; A37-V41 VanDerWaalsContact O-N 3.12Å; A37-W221 HydrophobicContact CB-CE3 4.06Å; A37-W221 HydrophobicContact CB-CH2 3.58Å; A37-W221 HydrophobicContact CB-CZ3 3.12Å
38L69.8Low70.9Confident38 Ų3858.8 Ų58.820%0.19928%0.284CS..Hα-helixtrans-64.8-46172.5-59.9175000110.4R34 R35 V41 S42 V54R34-L38 PolarHBondContact O-N 2.96Å; R35-L38 WeakPolarHBondContact O-CA 3.42Å; R35-L38 VanDerWaalsContact O-CB 3.26Å; R35-L38 WeakPolarHBondContact O-CB 3.44Å; R35-L38 PolarHBondContact O-N 3.01Å; L38-V41 PolarHBondContact O-N 3.22Å; L38-S42 WeakPolarHBondContact O-CB 3.39Å; L38-S42 PolarHBondContact O-N 3.1Å; L38-S42 PolarHBondContact O-OG 3.38Å; L38-V54 HydrophobicContact CD1-CB 4.47Å; L38-V54 HydrophobicContact CD1-CG1 3.92Å; L38-V54 HydrophobicContact CD1-CG2 4.19Å; L38-V54 HydrophobicContact CD2-CG2 3.48Å; L38-V54 VanDerWaalsContact CD2-CG2 3.48Å; L38-V54 HydrophobicContact CG-CG2 4.36Å
39D72Confident69.9Low41 Ų4163 Ų6322%0.21931%0.307CS..Hα-helixtrans-62.8-46.2177.9-63.8-18.1000110.1R35 V36 V41 S42 Y43 L136R35-D39 PolarHBondContact O-N 3.27Å; V36-D39 PolarHBondContact O-N 3.09Å; D39-V41 PolarHBondContact O-N 2.82Å; D39-S42 WeakPolarHBondContact CA-OG 3.26Å; D39-S42 PolarHBondContact O-N 3.5Å; D39-S42 VanDerWaalsContact O-N 3.11Å; D39-S42 PolarHBondContact O-OG 3.4Å; D39-Y43 HydrophobicContact CB-CD2 4.38Å; D39-Y43 HydrophobicContact CB-CE2 4.31Å; D39-Y43 WeakPolarHBondContact O-CD2 3.49Å; D39-Y43 PolarHBondContact O-N 3.17Å; D39-L136 HydrophobicContact CB-CD1 3.98Å
40Y69.6Low68.9Low0 Ų063.7 Ų63.70%031%0.311CS..Hα-helixtrans-55.4-46.9178.5-178.4-111.2000112.7V36 H44 M115 Y118 F119 L136 V218 I222V36-Y40 WeakPolarHBondContact O-CB 3.43Å; V36-Y40 PolarHBondContact O-N 3.06Å; Y40-H44 PolarHBondContact O-N 3.2Å; Y40-M115 HydrophobicContact CD1-CE 3.39Å; Y40-M115 HydrophobicContact CD1-SD 4.39Å; Y40-M115 HydrophobicContact CE1-CE 3.32Å; Y40-M115 HydrophobicContact CE1-CG 4.33Å; Y40-M115 HydrophobicContact CE1-SD 3.82Å; Y40-Y118 HydrophobicContact CD2-CD1 4.19Å; Y40-Y118 AromaticContact CD2-CE1 3.94Å; Y40-Y118 HydrophobicContact CD2-CE1 3.94Å; Y40-Y118 AromaticContact CE2-CD1 3.42Å; Y40-Y118 HydrophobicContact CE2-CD1 3.42Å; Y40-Y118 VanDerWaalsContact CE2-CD1 3.42Å; Y40-Y118 AromaticContact CE2-CE1 3.61Å; Y40-Y118 HydrophobicContact CE2-CE1 3.61Å; Y40-Y118 AromaticContact CZ-CD1 3.62Å; Y40-F119 HydrophobicContact CD2-CD2 4.26Å; Y40-F119 HydrophobicContact CE2-CB 4.38Å; Y40-F119 AromaticContact CE2-CD2 3.49Å; Y40-F119 HydrophobicContact CE2-CD2 3.49Å; Y40-F119 VanDerWaalsContact CE2-CD2 3.49Å; Y40-F119 HydrophobicContact CE2-CE2 4.23Å; Y40-F119 HydrophobicContact CE2-CG 4.4Å; Y40-L136 HydrophobicContact CD2-CD2 4.34Å; Y40-V218 HydrophobicContact CD1-CG1 3.9Å; Y40-V218 HydrophobicContact CE1-CG1 3.85Å; Y40-I222 HydrophobicContact CD1-CD1 4.08Å; Y40-I222 HydrophobicContact CE1-CD1 4.4Å
41V66.1Low67.9Low32 Ų3262.3 Ų62.319%0.19431%0.306CS..Hα-helixtrans-72.7-36.5178.7-173.10000110.4A37 L38 D39 Y43 H44 L50 M115 I222A37-V41 WeakPolarHBondContact O-CG2 3.38Å; A37-V41 PolarHBondContact O-N 3.12Å; A37-V41 VanDerWaalsContact O-N 3.12Å; L38-V41 PolarHBondContact O-N 3.22Å; D39-V41 PolarHBondContact O-N 2.82Å; V41-Y43 PolarHBondContact O-N 3.27Å; V41-H44 PolarHBondContact O-N 3.08Å; V41-L50 HydrophobicContact CB-CD2 3.28Å; V41-L50 HydrophobicContact CG1-CD2 3.28Å; V41-L50 HydrophobicContact CG1-CG 4.47Å; V41-L50 HydrophobicContact CG2-CD2 4.34Å; V41-M115 HydrophobicContact CB-CE 4.11Å; V41-M115 HydrophobicContact CG1-CE 4.31Å; V41-M115 HydrophobicContact CG2-CE 3.37Å; V41-I222 HydrophobicContact CG2-CD1 4.35Å
42S64.1Low67.4Low8 Ų863.2 Ų63.26%0.05631%0.314CS..Hα-helixtrans-64.4-37.3179.770.80000113.7L38 D39 H44L38-S42 WeakPolarHBondContact O-CB 3.39Å; L38-S42 PolarHBondContact O-N 3.1Å; L38-S42 PolarHBondContact O-OG 3.38Å; D39-S42 WeakPolarHBondContact CA-OG 3.26Å; D39-S42 PolarHBondContact O-N 3.5Å; D39-S42 VanDerWaalsContact O-N 3.11Å; D39-S42 PolarHBondContact O-OG 3.4Å; S42-H44 VanDerWaalsContact C-N 3.32Å
43Y61.6Low67.1Low78 Ų7863.9 Ų63.931%0.30632%0.319SS..Hα-helixtrans-80.8-15.8-179.5-75.1-69.1000112.8D39 V41 E45 D46 Y118 W132 L136D39-Y43 HydrophobicContact CB-CD2 4.38Å; D39-Y43 HydrophobicContact CB-CE2 4.31Å; D39-Y43 WeakPolarHBondContact O-CD2 3.49Å; D39-Y43 PolarHBondContact O-N 3.17Å; V41-Y43 PolarHBondContact O-N 3.27Å; Y43-E45 VanDerWaalsContact C-N 3.29Å; Y43-E45 PolarHBondContact O-N 2.94Å; Y43-D46 PolarHBondContact O-N 3.07Å; Y43-Y118 WeakPolarHBondContact CB-OH 3.31Å; Y43-Y118 PolarHBondContact O-OH 3.45Å; Y43-W132 AromaticContact CD1-CD2 3.75Å; Y43-W132 HydrophobicContact CD1-CD2 3.75Å; Y43-W132 AromaticContact CD1-CE2 3.99Å; Y43-W132 AromaticContact CD1-CE3 3.43Å; Y43-W132 HydrophobicContact CD1-CE3 3.43Å; Y43-W132 VanDerWaalsContact CD1-CE3 3.43Å; Y43-W132 AromaticContact CD1-CH2 3.67Å; Y43-W132 HydrophobicContact CD1-CH2 3.67Å; Y43-W132 AromaticContact CD1-CZ2 3.97Å; Y43-W132 HydrophobicContact CD1-CZ2 3.97Å; Y43-W132 AromaticContact CD1-CZ3 3.4Å; Y43-W132 HydrophobicContact CD1-CZ3 3.4Å; Y43-W132 HydrophobicContact CD2-CD2 4.36Å; Y43-W132 AromaticContact CD2-CE3 3.4Å; Y43-W132 HydrophobicContact CD2-CE3 3.4Å; Y43-W132 AromaticContact CD2-CZ3 3.52Å; Y43-W132 HydrophobicContact CD2-CZ3 3.52Å; Y43-W132 HydrophobicContact CE1-CB 4.46Å; Y43-W132 AromaticContact CE1-CD2 3.47Å; Y43-W132 HydrophobicContact CE1-CD2 3.47Å; Y43-W132 VanDerWaalsContact CE1-CD2 3.47Å; Y43-W132 AromaticContact CE1-CE2 3.94Å; Y43-W132 AromaticContact CE1-CE3 3.49Å; Y43-W132 HydrophobicContact CE1-CE3 3.49Å; Y43-W132 VanDerWaalsContact CE1-CE3 3.49Å; Y43-W132 AromaticContact CE1-CG 3.93Å; Y43-W132 HydrophobicContact CE1-CG 3.93Å; Y43-W132 HydrophobicContact CE1-CH2 4.4Å; Y43-W132 HydrophobicContact CE1-CZ2 4.38Å; Y43-W132 AromaticContact CE1-CZ3 3.99Å; Y43-W132 HydrophobicContact CE1-CZ3 3.99Å; Y43-W132 HydrophobicContact CE2-CB 4.49Å; Y43-W132 HydrophobicContact CE2-CD2 4.13Å; Y43-W132 AromaticContact CE2-CE3 3.48Å; Y43-W132 HydrophobicContact CE2-CE3 3.48Å; Y43-W132 VanDerWaalsContact CE2-CE3 3.48Å; Y43-W132 HydrophobicContact CE2-CZ3 4.11Å; Y43-W132 HydrophobicContact CG-CD2 4.2Å; Y43-W132 AromaticContact CG-CE3 3.39Å; Y43-W132 HydrophobicContact CG-CE3 3.39Å; Y43-W132 AromaticContact CG-CH2 3.75Å; Y43-W132 HydrophobicContact CG-CH2 3.75Å; Y43-W132 HydrophobicContact CG-CZ2 4.49Å; Y43-W132 AromaticContact CG-CZ3 3.14Å; Y43-W132 HydrophobicContact CG-CZ3 3.14Å; Y43-W132 AromaticContact CZ-CD2 3.68Å; Y43-W132 AromaticContact CZ-CE3 3.52Å; Y43-W132 AromaticContact CZ-CG 3.9Å; Y43-L136 HydrophobicContact CD2-CD2 4.18Å
44H63.6Low67Low48 Ų4859.6 Ų59.622%0.22231%0.305CS..Hα-helixtrans-66-33.6178.2-176.663.1000112.4Y40 V41 S42 R114 Y118Y40-H44 PolarHBondContact O-N 3.2Å; V41-H44 PolarHBondContact O-N 3.08Å; S42-H44 VanDerWaalsContact C-N 3.32Å; H44-R114 PolarHBondContact CE1-O 3.49Å; H44-R114 PolarHBondContact NE2-O 3.49Å; H44-R114 VanDerWaalsContact NE2-O 3.16Å; H44-Y118 VanDerWaalsContact CA-CZ 3.47Å; H44-Y118 HydrophobicContact CB-CD1 4.13Å; H44-Y118 HydrophobicContact CB-CD2 4.39Å; H44-Y118 HydrophobicContact CB-CE1 3.95Å; H44-Y118 HydrophobicContact CB-CE2 4.19Å; H44-Y118 HydrophobicContact CB-CG 4.36Å; H44-Y118 AromaticContact CE1-CD2 3.87Å; H44-Y118 AromaticContact CE1-CG 3.84Å; H44-Y118 PolarHBondContact N-OH 2.93Å; H44-Y118 WeakPolarHBondContact ND1-CB 3.32Å; H44-Y118 AromaticContact ND1-CD1 3.6Å; H44-Y118 AromaticContact ND1-CD2 3.04Å; H44-Y118 WeakPolarHBondContact ND1-CD2 3.49Å; H44-Y118 AromaticContact ND1-CE2 3.64Å; H44-Y118 AromaticContact ND1-CG 3.01Å
45E59Low67Low93 Ų9359.1 Ų59.144%0.43531%0.311SS..THydrogen-bonded Turntrans-92.83.1179.3-62.4-160.7139.100113.2Y43 D47 R114Y43-E45 VanDerWaalsContact C-N 3.29Å; Y43-E45 PolarHBondContact O-N 2.94Å; E45-D47 HydrophobicContact CB-CB 4.36Å; E45-D47 PolarHBondContact O-N 3.33Å; E45-R114 IonicContact OE1-NH1 3.12Å
46D60.3Low67.1Low109 Ų10959.3 Ų59.358%0.58332%0.318SS*.THydrogen-bonded Turntrans47.723.5-170.8-71.6-43000112.8Y43 R126Y43-D46 PolarHBondContact O-N 3.07Å; D46-R126 IonicContact OD1-CZ 3.78Å; D46-R126 IonicContact OD1-NH1 2.61Å; D46-R126 PolarHBondContact OD1-NH1 3.39Å; D46-R126 VanDerWaalsContact OD1-NH1 3.12Å; D46-R126 IonicContact OD1-NH2 3.57Å; D46-R126 IonicContact OD2-NH2 2.89Å
47D56.8Low67.4Low92 Ų9263 Ų6349%0.49234%0.337SS..SBendtrans-127.9126.9-175.3-83.9-35.2000109.7E45 L49E45-D47 HydrophobicContact CB-CB 4.36Å; E45-D47 PolarHBondContact O-N 3.33Å; D47-L49 HydrophobicContact CB-CB 4.21Å; D47-L49 PolarHBondContact O-N 2.88Å
48P62.4Low68.1Low89 Ų8963 Ų6358%0.57834%0.336SS*.THydrogen-bonded Turntrans-67.2817830.8-36.5000113L50 Q51 T52P48-L50 PolarHBondContact O-N 3.44Å; P48-Q51 PolarHBondContact O-N 3.11Å; P48-T52 WeakPolarHBondContact O-CB 3.39Å; P48-T52 PolarHBondContact O-N 3.5Å; P48-T52 PolarHBondContact O-OG1 2.91Å
49L58.7Low68.9Low116 Ų11663.8 Ų63.861%0.60735%0.348SS*.Hα-helixtrans-56.7-36.6-174.7-17265.3000111.9D47 T52 S53D47-L49 HydrophobicContact CB-CB 4.21Å; D47-L49 PolarHBondContact O-N 2.88Å; L49-T52 CarbonylContact O-C 3.54Å; L49-T52 WeakPolarHBondContact O-CB 3.27Å; L49-S53 WeakPolarHBondContact O-CB 3.03Å; L49-S53 PolarHBondContact O-N 2.82Å
50L60.6Low69.5Low52 Ų5265.1 Ų65.127%0.27236%0.36SS..Hα-helixtrans-81.4-38-177.3-162.883.7000114.1V41 P48 T52 S53 V54V41-L50 HydrophobicContact CB-CD2 3.28Å; V41-L50 HydrophobicContact CG1-CD2 3.28Å; V41-L50 HydrophobicContact CG1-CG 4.47Å; V41-L50 HydrophobicContact CG2-CD2 4.34Å; P48-L50 PolarHBondContact O-N 3.44Å; L50-T52 PolarHBondContact O-N 2.84Å; L50-S53 WeakPolarHBondContact CA-OG 3.38Å; L50-S53 WeakPolarHBondContact CD1-OG 3.38Å; L50-S53 PolarHBondContact O-N 3.35Å; L50-S53 PolarHBondContact O-OG 2.86Å; L50-V54 WeakPolarHBondContact O-CG2 3.26Å; L50-V54 PolarHBondContact O-N 3.06Å
51Q65.1Low70.1Confident112 Ų11266.3 Ų66.352%0.52337%0.368SS..Hα-helixtrans-61.7-38.7170.8-170-178.47.600109.8P48 S53 V54 T55P48-Q51 PolarHBondContact O-N 3.11Å; Q51-S53 VanDerWaalsContact C-N 3.33Å; Q51-V54 PolarHBondContact O-N 3.1Å; Q51-T55 WeakPolarHBondContact O-CG2 3.4Å; Q51-T55 PolarHBondContact O-N 2.86Å; Q51-T55 PolarHBondContact O-OG1 2.86Å
52T72.4Confident71.2Confident64 Ų6466.6 Ų66.639%0.39337%0.373SS..Hα-helixtrans-62.9-39.1171.4-49.60000111.2P48 L49 L50 V54 T55 M56P48-T52 WeakPolarHBondContact O-CB 3.39Å; P48-T52 PolarHBondContact O-N 3.5Å; P48-T52 PolarHBondContact O-OG1 2.91Å; L49-T52 CarbonylContact O-C 3.54Å; L49-T52 WeakPolarHBondContact O-CB 3.27Å; L50-T52 PolarHBondContact O-N 2.84Å; T52-V54 PolarHBondContact O-N 3.48Å; T52-T55 WeakPolarHBondContact CA-OG1 3.49Å; T52-T55 PolarHBondContact O-N 3.4Å; T52-T55 PolarHBondContact O-OG1 3.38Å; T52-M56 HydrophobicContact CG2-CG 4.23Å; T52-M56 HydrophobicContact CG2-SD 3.9Å; T52-M56 VanDerWaalsContact O-CB 3.25Å; T52-M56 WeakPolarHBondContact O-CB 3.27Å; T52-M56 WeakPolarHBondContact O-CG 3.37Å; T52-M56 PolarHBondContact O-N 3.49Å
53S71.5Confident72.3Confident48 Ų4869.7 Ų69.734%0.33639%0.392SS..Hα-helixtrans-65.8-39.2179.883.10000112.5L49 L50 Q51 M56 L57L49-S53 WeakPolarHBondContact O-CB 3.03Å; L49-S53 PolarHBondContact O-N 2.82Å; L50-S53 WeakPolarHBondContact CA-OG 3.38Å; L50-S53 WeakPolarHBondContact CD1-OG 3.38Å; L50-S53 PolarHBondContact O-N 3.35Å; L50-S53 PolarHBondContact O-OG 2.86Å; Q51-S53 VanDerWaalsContact C-N 3.33Å; S53-M56 PolarHBondContact O-N 3.26Å; S53-L57 VanDerWaalsContact O-CB 3.25Å; S53-L57 WeakPolarHBondContact O-CB 3.46Å; S53-L57 PolarHBondContact O-N 2.9Å
54V73.3Confident73.2Confident19 Ų1966.6 Ų66.612%0.11538%0.381CS..Hα-helixtrans-71.7-39.9179.2177.70000111.6Q29 L38 L50 Q51 T52 L57 T58Q29-V54 HydrophobicContact CG-CG1 4.02Å; L38-V54 HydrophobicContact CD1-CB 4.47Å; L38-V54 HydrophobicContact CD1-CG1 3.92Å; L38-V54 HydrophobicContact CD1-CG2 4.19Å; L38-V54 HydrophobicContact CD2-CG2 3.48Å; L38-V54 VanDerWaalsContact CD2-CG2 3.48Å; L38-V54 HydrophobicContact CG-CG2 4.36Å; L50-V54 WeakPolarHBondContact O-CG2 3.26Å; L50-V54 PolarHBondContact O-N 3.06Å; Q51-V54 PolarHBondContact O-N 3.1Å; T52-V54 PolarHBondContact O-N 3.48Å; V54-L57 PolarHBondContact O-N 2.9Å; V54-T58 PolarHBondContact O-N 3.26Å; V54-T58 PolarHBondContact O-OG1 3.43Å
55T79.9Confident74.3Confident68 Ų6866.8 Ų66.842%0.41738%0.382SS..Hα-helixtrans-65.7-42.2174.751.20000111Q51 T52 T58 A59Q51-T55 WeakPolarHBondContact O-CG2 3.4Å; Q51-T55 PolarHBondContact O-N 2.86Å; Q51-T55 PolarHBondContact O-OG1 2.86Å; T52-T55 WeakPolarHBondContact CA-OG1 3.49Å; T52-T55 PolarHBondContact O-N 3.4Å; T52-T55 PolarHBondContact O-OG1 3.38Å; T55-T58 WeakPolarHBondContact O-CB 3.32Å; T55-T58 PolarHBondContact O-N 3.07Å; T55-A59 PolarHBondContact O-N 3.38Å
56M80.4Confident75.7Confident118 Ų11867.2 Ų67.258%0.58139%0.387SS*.Hα-helixtrans-60.6-44.5171.4-74176.574.600111.9T52 S53 T58 A59 C60T52-M56 HydrophobicContact CG2-CG 4.23Å; T52-M56 HydrophobicContact CG2-SD 3.9Å; T52-M56 VanDerWaalsContact O-CB 3.25Å; T52-M56 WeakPolarHBondContact O-CB 3.27Å; T52-M56 WeakPolarHBondContact O-CG 3.37Å; T52-M56 PolarHBondContact O-N 3.49Å; S53-M56 PolarHBondContact O-N 3.26Å; M56-T58 VanDerWaalsContact C-N 3.27Å; M56-T58 PolarHBondContact O-N 3.25Å; M56-A59 CarbonylContact O-C 3.25Å; M56-A59 WeakPolarHBondContact O-CB 3.47Å; M56-A59 PolarHBondContact O-N 2.97Å; M56-A59 VanDerWaalsContact O-N 3.16Å; M56-C60 WeakPolarHBondContact O-CB 3.35Å; M56-C60 PolarHBondContact O-N 3.37Å; M56-C60 PolarHBondContact O-SG 2.9Å
57L78.7Confident77Confident86 Ų8662.3 Ų62.345%0.4536%0.36SS..Hα-helixtrans-61.8-38.4178.1-179.162.6000111.6S53 V54 C60 S61S53-L57 VanDerWaalsContact O-CB 3.25Å; S53-L57 WeakPolarHBondContact O-CB 3.46Å; S53-L57 PolarHBondContact O-N 2.9Å; V54-L57 PolarHBondContact O-N 2.9Å; L57-C60 PolarHBondContact O-N 2.97Å; L57-S61 WeakPolarHBondContact O-CB 3.49Å; L57-S61 PolarHBondContact O-N 3.04Å; L57-S61 PolarHBondContact O-OG 3.03Å
58T84.2Confident78.3Confident13 Ų1358.8 Ų58.88%0.0834%0.342CS..Hα-helixtrans-64.7-45.2174.7-55.20000110.8C25 F26 Q29 V54 T55 M56 S61 A62C25-T58 HydrophobicContact CB-CG2 4.25Å; F26-T58 HydrophobicContact CE1-CG2 4.14Å; F26-T58 HydrophobicContact CZ-CG2 4.42Å; Q29-T58 PolarHBondContact NE2-OG1 2.96Å; V54-T58 PolarHBondContact O-N 3.26Å; V54-T58 PolarHBondContact O-OG1 3.43Å; T55-T58 WeakPolarHBondContact O-CB 3.32Å; T55-T58 PolarHBondContact O-N 3.07Å; M56-T58 VanDerWaalsContact C-N 3.27Å; M56-T58 PolarHBondContact O-N 3.25Å; T58-S61 PolarHBondContact O-N 3.44Å; T58-A62 PolarHBondContact O-N 3.1Å
59A86.9Confident79.4Confident54 Ų5456 Ų5645%0.44632%0.324SS..Hα-helixtrans-61.4-45.517500000111.7T55 M56 S61 A62 V63T55-A59 PolarHBondContact O-N 3.38Å; M56-A59 CarbonylContact O-C 3.25Å; M56-A59 WeakPolarHBondContact O-CB 3.47Å; M56-A59 PolarHBondContact O-N 2.97Å; M56-A59 VanDerWaalsContact O-N 3.16Å; A59-S61 VanDerWaalsContact C-N 3.3Å; A59-S61 PolarHBondContact O-N 3.48Å; A59-A62 PolarHBondContact O-N 3.48Å; A59-A62 VanDerWaalsContact O-N 3.17Å; A59-V63 VanDerWaalsContact O-CG2 3.32Å; A59-V63 WeakPolarHBondContact O-CG2 3.47Å; A59-V63 PolarHBondContact O-N 3.2Å
60C83.6Confident80.9Confident69 Ų6954.3 Ų54.347%0.46632%0.315SS..Hα-helixtrans-59.8-39.2175.3-70.90000112.2M56 L57 S64M56-C60 WeakPolarHBondContact O-CB 3.35Å; M56-C60 PolarHBondContact O-N 3.37Å; M56-C60 PolarHBondContact O-SG 2.9Å; L57-C60 PolarHBondContact O-N 2.97Å; C60-S64 WeakPolarHBondContact O-CB 3.49Å; C60-S64 PolarHBondContact O-N 3.42Å; C60-S64 PolarHBondContact O-OG 2.88Å
61S83.4Confident82.1Confident25 Ų2552.1 Ų52.118%0.17531%0.305CS..Hα-helixtrans-67.4-38.9176.4-59.30000111.5L57 T58 A59 S64 F65L57-S61 WeakPolarHBondContact O-CB 3.49Å; L57-S61 PolarHBondContact O-N 3.04Å; L57-S61 PolarHBondContact O-OG 3.03Å; T58-S61 PolarHBondContact O-N 3.44Å; A59-S61 VanDerWaalsContact C-N 3.3Å; A59-S61 PolarHBondContact O-N 3.48Å; S61-S64 PolarHBondContact O-N 2.86Å; S61-F65 PolarHBondContact O-N 2.94Å
62A88.9Confident83Confident37 Ų3747.8 Ų47.831%0.30629%0.286SS..Hα-helixtrans-67.2-44.3176.600000111.3L22 T58 A59 S64 F65 L66L22-A62 HydrophobicContact CD2-CB 4.03Å; T58-A62 PolarHBondContact O-N 3.1Å; A59-A62 PolarHBondContact O-N 3.48Å; A59-A62 VanDerWaalsContact O-N 3.17Å; A62-S64 VanDerWaalsContact C-N 3.34Å; A62-S64 PolarHBondContact O-N 3.3Å; A62-F65 PolarHBondContact O-N 2.92Å; A62-L66 WeakPolarHBondContact O-CG 3.4Å; A62-L66 PolarHBondContact O-N 2.9Å
63V86.8Confident83.7Confident74 Ų7450.6 Ų50.645%0.44829%0.293SS..Hα-helixtrans-59.7-46.5173.3172.50000110.4A59 F65 L66 L67A59-V63 VanDerWaalsContact O-CG2 3.32Å; A59-V63 WeakPolarHBondContact O-CG2 3.47Å; A59-V63 PolarHBondContact O-N 3.2Å; V63-F65 VanDerWaalsContact C-N 3.33Å; V63-F65 PolarHBondContact O-N 3.22Å; V63-L66 WeakPolarHBondContact O-CB 3.38Å; V63-L66 PolarHBondContact O-N 3.4Å; V63-L66 VanDerWaalsContact O-N 3.1Å; V63-L67 HydrophobicContact CG1-CD1 4.37Å; V63-L67 HydrophobicContact CG1-CG 4.42Å; V63-L67 WeakPolarHBondContact O-CG 3.46Å; V63-L67 PolarHBondContact O-N 3.1Å
64S81.7Confident84.4Confident12 Ų1248.3 Ų48.38%0.08428%0.277CS..Hα-helixtrans-60.4-41.6179.1-58.80000112C60 S61 A62 L66 L67 V68C60-S64 WeakPolarHBondContact O-CB 3.49Å; C60-S64 PolarHBondContact O-N 3.42Å; C60-S64 PolarHBondContact O-OG 2.88Å; S61-S64 PolarHBondContact O-N 2.86Å; A62-S64 VanDerWaalsContact C-N 3.34Å; A62-S64 PolarHBondContact O-N 3.3Å; S64-L66 PolarHBondContact O-N 3.44Å; S64-L67 WeakPolarHBondContact O-CB 3.47Å; S64-L67 PolarHBondContact O-N 3.45Å; S64-V68 WeakPolarHBondContact O-CG2 3.43Å; S64-V68 PolarHBondContact O-N 2.91Å; S64-V68 VanDerWaalsContact O-N 3.1Å
65F85.8Confident84.9Confident52 Ų5248.5 Ų48.523%0.22828%0.279CS..Hα-helixtrans-60.6-43.9173.7175.5-99.5000112.1K15 L19 L22 S61 A62 V63 L67 V68 V69K15-F65 HydrophobicContact CB-CE2 4.41Å; L19-F65 HydrophobicContact CB-CE2 4.13Å; L22-F65 HydrophobicContact CD1-CB 3.67Å; L22-F65 HydrophobicContact CD1-CD1 4.22Å; L22-F65 HydrophobicContact CD1-CD2 4.4Å; L22-F65 HydrophobicContact CD1-CG 3.85Å; S61-F65 PolarHBondContact O-N 2.94Å; A62-F65 PolarHBondContact O-N 2.92Å; V63-F65 VanDerWaalsContact C-N 3.33Å; V63-F65 PolarHBondContact O-N 3.22Å; F65-L67 VanDerWaalsContact C-N 3.33Å; F65-L67 PolarHBondContact O-N 3.26Å; F65-V68 PolarHBondContact O-N 3.38Å; F65-V69 HydrophobicContact CD1-CG2 4.45Å; F65-V69 HydrophobicContact CE1-CG2 4.03Å; F65-V69 HydrophobicContact CZ-CG2 4.07Å; F65-V69 WeakPolarHBondContact O-CG2 3.36Å; F65-V69 PolarHBondContact O-N 2.89Å; F65-V69 VanDerWaalsContact O-N 3.1Å
66L88.9Confident85Confident103 Ų10349.2 Ų49.254%0.53929%0.285SS..Hα-helixtrans-63-38.3176.2-68174000112.1A62 V63 S64 V68 V69 L70A62-L66 WeakPolarHBondContact O-CG 3.4Å; A62-L66 PolarHBondContact O-N 2.9Å; V63-L66 WeakPolarHBondContact O-CB 3.38Å; V63-L66 PolarHBondContact O-N 3.4Å; V63-L66 VanDerWaalsContact O-N 3.1Å; S64-L66 PolarHBondContact O-N 3.44Å; L66-V68 PolarHBondContact O-N 2.98Å; L66-V69 PolarHBondContact O-N 2.87Å; L66-L70 WeakPolarHBondContact O-CB 3.14Å; L66-L70 WeakPolarHBondContact O-CG 3.4Å; L66-L70 PolarHBondContact O-N 3.23Å
67L87.2Confident85.3Confident5 Ų551.6 Ų51.63%0.02629%0.292CS..Hα-helixtrans-60.5-43.1174-65.8178000111.7V63 S64 F65 V69 L70 G71 N86 L89 L90 T93V63-L67 HydrophobicContact CG1-CD1 4.37Å; V63-L67 HydrophobicContact CG1-CG 4.42Å; V63-L67 WeakPolarHBondContact O-CG 3.46Å; V63-L67 PolarHBondContact O-N 3.1Å; S64-L67 WeakPolarHBondContact O-CB 3.47Å; S64-L67 PolarHBondContact O-N 3.45Å; F65-L67 VanDerWaalsContact C-N 3.33Å; F65-L67 PolarHBondContact O-N 3.26Å; L67-V69 VanDerWaalsContact C-N 3.3Å; L67-V69 PolarHBondContact O-N 3.12Å; L67-L70 PolarHBondContact O-N 3.5Å; L67-G71 PolarHBondContact O-N 2.96Å; L67-N86 WeakPolarHBondContact CA-OD1 3.31Å; L67-N86 WeakPolarHBondContact CB-OD1 3.45Å; L67-N86 PolarHBondContact O-ND2 2.94Å; L67-N86 PolarHBondContact O-OD1 2.86Å; L67-L89 HydrophobicContact CD1-CB 3.81Å; L67-L89 HydrophobicContact CD2-CB 3.71Å; L67-L89 HydrophobicContact CD2-CD1 3.5Å; L67-L89 VanDerWaalsContact CD2-CD1 3.5Å; L67-L89 HydrophobicContact CD2-CG 4.26Å; L67-L89 HydrophobicContact CG-CB 4.43Å; L67-L90 HydrophobicContact CB-CD2 4.27Å; L67-L90 HydrophobicContact CD1-CD2 4.38Å; L67-T93 HydrophobicContact CD1-CG2 3.95Å
68V83.8Confident85.5Confident18 Ų1851.5 Ų51.511%0.10929%0.292CS..Hα-helixtrans-62.3-39.5176.21770000111.4L14 K15 S64 F65 L66 C72L14-V68 HydrophobicContact CB-CG1 3.82Å; K15-V68 HydrophobicContact CG-CG1 3.7Å; S64-V68 WeakPolarHBondContact O-CG2 3.43Å; S64-V68 PolarHBondContact O-N 2.91Å; S64-V68 VanDerWaalsContact O-N 3.1Å; F65-V68 PolarHBondContact O-N 3.38Å; L66-V68 PolarHBondContact O-N 2.98Å; V68-C72 PolarHBondContact O-N 2.96Å; V68-C72 VanDerWaalsContact O-N 3.11Å
69V86.8Confident85.6Confident32 Ų3252.3 Ų52.319%0.19430%0.3CS..Hα-helixtrans-65.1-47.8176.1172.70000111F65 L66 L67 C72 F73F65-V69 HydrophobicContact CD1-CG2 4.45Å; F65-V69 HydrophobicContact CE1-CG2 4.03Å; F65-V69 HydrophobicContact CZ-CG2 4.07Å; F65-V69 WeakPolarHBondContact O-CG2 3.36Å; F65-V69 PolarHBondContact O-N 2.89Å; F65-V69 VanDerWaalsContact O-N 3.1Å; L66-V69 PolarHBondContact O-N 2.87Å; L67-V69 VanDerWaalsContact C-N 3.3Å; L67-V69 PolarHBondContact O-N 3.12Å; V69-C72 WeakPolarHBondContact O-CB 3.37Å; V69-C72 PolarHBondContact O-N 3.26Å; V69-F73 HydrophobicContact CG1-CD2 3.73Å; V69-F73 HydrophobicContact CG1-CE2 3.43Å; V69-F73 VanDerWaalsContact CG1-CE2 3.43Å; V69-F73 WeakPolarHBondContact O-CD2 3.46Å; V69-F73 PolarHBondContact O-N 3.49Å
70L88.8Confident85.6Confident80 Ų8050.6 Ų50.642%0.41928%0.284SS..Hα-helixtrans-62.2-43.3177.9-71.9173.1000112.3L66 L67 C72 F73 G74L66-L70 WeakPolarHBondContact O-CB 3.14Å; L66-L70 WeakPolarHBondContact O-CG 3.4Å; L66-L70 PolarHBondContact O-N 3.23Å; L67-L70 PolarHBondContact O-N 3.5Å; L70-C72 VanDerWaalsContact C-N 3.3Å; L70-C72 PolarHBondContact O-N 3.47Å; L70-F73 PolarHBondContact O-N 3.38Å; L70-G74 PolarHBondContact O-N 3.43Å
71G86.2Confident85.7Confident6 Ų651.9 Ų51.96%0.06229%0.293CS..Hα-helixtrans-60.6-38.3175.600000112.8L67 G74 T75 N86L67-G71 PolarHBondContact O-N 2.96Å; G71-G74 PolarHBondContact O-N 3.14Å; G71-T75 WeakPolarHBondContact O-CB 3.46Å; G71-T75 PolarHBondContact O-N 3.05Å; G71-T75 PolarHBondContact O-OG1 3.27Å; G71-N86 WeakPolarHBondContact CA-ND2 3.45Å
72C84.9Confident86Confident20 Ų2054.2 Ų54.214%0.13530%0.303CS..Hα-helixtrans-63.8-46.6172.8-176.20000111.7K15 V68 V69 L70 T75 C76K15-C72 PolarHBondContact NZ-SG 2.87Å; V68-C72 PolarHBondContact O-N 2.96Å; V68-C72 VanDerWaalsContact O-N 3.11Å; V69-C72 WeakPolarHBondContact O-CB 3.37Å; V69-C72 PolarHBondContact O-N 3.26Å; L70-C72 VanDerWaalsContact C-N 3.3Å; L70-C72 PolarHBondContact O-N 3.47Å; C72-T75 PolarHBondContact O-N 3.46Å; C72-C76 PolarHBondContact O-N 2.9Å; C72-C76 PolarHBondContact O-SG 3.42Å
73F86.7Confident86Confident124 Ų12452.5 Ų52.554%0.54429%0.288SS..Hα-helixtrans-62.3-44.1177-78.7-65.1000112.1V69 L70 T75 C76 K77V69-F73 HydrophobicContact CG1-CD2 3.73Å; V69-F73 HydrophobicContact CG1-CE2 3.43Å; V69-F73 VanDerWaalsContact CG1-CE2 3.43Å; V69-F73 WeakPolarHBondContact O-CD2 3.46Å; V69-F73 PolarHBondContact O-N 3.49Å; L70-F73 PolarHBondContact O-N 3.38Å; F73-T75 VanDerWaalsContact C-N 3.32Å; F73-T75 PolarHBondContact O-N 3.09Å; F73-C76 PolarHBondContact O-N 3.3Å; F73-K77 WeakPolarHBondContact O-CB 3.36Å; F73-K77 PolarHBondContact O-N 3.28Å
74G85.9Confident86Confident0 Ų050 Ų500%028%0.278CS..Hα-helixtrans-57.7-44.717600000111.9L70 G71 K77 N78 A79L70-G74 PolarHBondContact O-N 3.43Å; G71-G74 PolarHBondContact O-N 3.14Å; G74-K77 PolarHBondContact O-N 3.4Å; G74-N78 CarbonylContact O-C 3.58Å; G74-N78 WeakPolarHBondContact O-CA 3.4Å; G74-N78 PolarHBondContact O-N 3.5Å; G74-A79 PolarHBondContact O-N 2.99Å
75T82.9Confident86.5Confident23 Ų2355.4 Ų55.414%0.14130%0.3CS..Hα-helixtrans-64.9-47.6177-61.20000112.2L7 G71 C72 F73 K77 N78 L250L7-T75 HydrophobicContact CD1-CG2 3.94Å; G71-T75 WeakPolarHBondContact O-CB 3.46Å; G71-T75 PolarHBondContact O-N 3.05Å; G71-T75 PolarHBondContact O-OG1 3.27Å; C72-T75 PolarHBondContact O-N 3.46Å; F73-T75 VanDerWaalsContact C-N 3.32Å; F73-T75 PolarHBondContact O-N 3.09Å; T75-K77 VanDerWaalsContact C-N 3.29Å; T75-K77 PolarHBondContact O-N 2.88Å; T75-N78 PolarHBondContact O-N 3.4Å; T75-N78 PolarHBondContact O-OD1 3.47Å; T75-L250 HydrophobicContact CG2-CD2 3.64Å
76C83Confident86.7Confident82 Ų8253.1 Ų53.155%0.55429%0.29SS*.Hα-helixtrans-63.7-33.5179.9-68.40000112.9C72 F73C72-C76 PolarHBondContact O-N 2.9Å; C72-C76 PolarHBondContact O-SG 3.42Å; F73-C76 PolarHBondContact O-N 3.3Å
77K85.9Confident86.7Confident169 Ų16948.7 Ų48.774%0.73527%0.268SS*.Hα-helixtrans-92.8-1178.9-64.5-65.9-174.71770113.6F73 G74 T75 A79F73-K77 WeakPolarHBondContact O-CB 3.36Å; F73-K77 PolarHBondContact O-N 3.28Å; G74-K77 PolarHBondContact O-N 3.4Å; T75-K77 VanDerWaalsContact C-N 3.29Å; T75-K77 PolarHBondContact O-N 2.88Å; K77-A79 HydrophobicContact CB-CB 4.29Å; K77-A79 PolarHBondContact O-N 3.15Å
78N82.9Confident86.8Confident84 Ų8454.3 Ų54.345%0.44929%0.292SS..THydrogen-bonded Turntrans48.435.7-169.9-61.6-55.5000112.9G74 T75 V80 L254G74-N78 CarbonylContact O-C 3.58Å; G74-N78 WeakPolarHBondContact O-CA 3.4Å; G74-N78 PolarHBondContact O-N 3.5Å; T75-N78 PolarHBondContact O-N 3.4Å; T75-N78 PolarHBondContact O-OD1 3.47Å; N78-V80 PolarHBondContact O-N 2.67Å; N78-V80 VanDerWaalsContact O-N 3.16Å; N78-L254 HydrophobicContact CB-CD1 4.34Å; N78-L254 HydrophobicContact CB-CD2 4.32Å
79A86.7Confident87.2Confident29 Ų2955.6 Ų55.624%0.2430%0.298CS..  trans-83.592.8-175.300000110.4G74 K77 C81 I82 I83G74-A79 PolarHBondContact O-N 2.99Å; K77-A79 HydrophobicContact CB-CB 4.29Å; K77-A79 PolarHBondContact O-N 3.15Å; A79-C81 VanDerWaalsContact C-N 3.28Å; A79-C81 PolarHBondContact O-N 3.47Å; A79-I82 HydrophobicContact CB-CB 4.14Å; A79-I82 HydrophobicContact CB-CD1 3.8Å; A79-I82 HydrophobicContact CB-CG1 4.01Å; A79-I82 PolarHBondContact O-N 2.91Å; A79-I83 WeakPolarHBondContact O-CG1 3.18Å; A79-I83 PolarHBondContact O-N 3.36Å; A79-I83 VanDerWaalsContact O-N 3.08Å
80V86.1Confident87.2Confident19 Ų1954.2 Ų54.212%0.11529%0.29CS..Hα-helixtrans-54-40.8-172.8-179.10000113.1N78 I83 G84 F251 L254 F255 V260N78-V80 PolarHBondContact O-N 2.67Å; N78-V80 VanDerWaalsContact O-N 3.16Å; V80-I83 PolarHBondContact O-N 3.43Å; V80-G84 PolarHBondContact O-N 3.21Å; V80-F251 HydrophobicContact CG1-CD2 4.05Å; V80-F251 HydrophobicContact CG1-CE2 3.6Å; V80-F251 HydrophobicContact CG1-CZ 4.4Å; V80-F251 WeakPolarHBondContact O-CE2 3.41Å; V80-L254 HydrophobicContact CG2-CB 3.83Å; V80-L254 HydrophobicContact CG2-CD1 4.47Å; V80-F255 HydrophobicContact CG1-CD2 4.23Å; V80-V260 HydrophobicContact CG2-CG1 4.4Å; V80-V260 HydrophobicContact CG2-CG2 4Å
81C87.4Confident87.3Confident96 Ų9653.8 Ų53.865%0.64929%0.29SS*.Hα-helixtrans-63.4-43.3178.8-1770000112.4A79 G84 F85A79-C81 VanDerWaalsContact C-N 3.28Å; A79-C81 PolarHBondContact O-N 3.47Å; C81-G84 PolarHBondContact O-N 2.88Å; C81-F85 WeakPolarHBondContact O-CB 3.47Å; C81-F85 PolarHBondContact O-N 3.39Å
82I89.3Confident87.5Confident74 Ų7458 Ų5838%0.37931%0.311SS..Hα-helixtrans-64.3-45.4177.9-61.1179.4000110.1A79 F85 N86A79-I82 HydrophobicContact CB-CB 4.14Å; A79-I82 HydrophobicContact CB-CD1 3.8Å; A79-I82 HydrophobicContact CB-CG1 4.01Å; A79-I82 PolarHBondContact O-N 2.91Å; I82-F85 PolarHBondContact O-N 2.98Å; I82-N86 WeakPolarHBondContact O-CB 3.37Å; I82-N86 PolarHBondContact O-N 3.45Å
83I87.7Confident87.5Confident0 Ų058.6 Ų58.60%031%0.314CS..Hα-helixtrans-62.4-44.1178-62170.4000110.5A79 V80 N86 S87 E247 L250 F251 L254A79-I83 WeakPolarHBondContact O-CG1 3.18Å; A79-I83 PolarHBondContact O-N 3.36Å; A79-I83 VanDerWaalsContact O-N 3.08Å; V80-I83 PolarHBondContact O-N 3.43Å; I83-N86 PolarHBondContact O-N 3.09Å; I83-S87 VanDerWaalsContact O-CB 3.31Å; I83-S87 WeakPolarHBondContact O-CB 3.42Å; I83-S87 PolarHBondContact O-N 3.49Å; I83-S87 PolarHBondContact O-OG 3.33Å; I83-E247 HydrophobicContact CG2-CG 3.65Å; I83-L250 HydrophobicContact CD1-CD2 4.03Å; I83-L250 HydrophobicContact CD1-CG 4.4Å; I83-F251 HydrophobicContact CB-CD2 4.37Å; I83-F251 HydrophobicContact CG2-CB 3.85Å; I83-F251 HydrophobicContact CG2-CD2 4.08Å; I83-F251 HydrophobicContact CG2-CG 4.46Å; I83-L254 HydrophobicContact CD1-CD1 3.53Å
84G88.3Confident87.5Confident22 Ų2253.1 Ų53.123%0.22729%0.29CS..Hα-helixtrans-63.4-46.3178.700000112.8V80 C81 S87 F88 F251V80-G84 PolarHBondContact O-N 3.21Å; C81-G84 PolarHBondContact O-N 2.88Å; G84-S87 PolarHBondContact O-N 2.88Å; G84-F88 PolarHBondContact O-N 2.79Å; G84-F88 VanDerWaalsContact O-N 3.14Å; G84-F251 VanDerWaalsContact CA-CE2 3.48Å
85F90.7Very high87.6Confident126 Ų12655.5 Ų55.555%0.55331%0.311SS*.Hα-helixtrans-64.1-44.2177.1-179.6-108.2000112.1C81 I82 S87 F88 L89C81-F85 WeakPolarHBondContact O-CB 3.47Å; C81-F85 PolarHBondContact O-N 3.39Å; I82-F85 PolarHBondContact O-N 2.98Å; F85-S87 PolarHBondContact O-N 3.1Å; F85-F88 PolarHBondContact O-N 2.8Å; F85-L89 HydrophobicContact CD1-CD1 4.02Å; F85-L89 HydrophobicContact CE1-CD1 3.38Å; F85-L89 HydrophobicContact CE1-CG 4.28Å; F85-L89 HydrophobicContact CE2-CD1 4.29Å; F85-L89 HydrophobicContact CE2-CG 4.48Å; F85-L89 HydrophobicContact CZ-CD1 3.55Å; F85-L89 HydrophobicContact CZ-CG 4.2Å; F85-L89 PolarHBondContact O-N 3.48Å; F85-L89 VanDerWaalsContact O-N 3.12Å
86N90.2Very high87.9Confident3 Ų356.3 Ų56.32%0.01632%0.323CS..Hα-helixtrans-65.1-39.6178.7-172.570.7000111.9L67 G71 I82 I83 F88 L89 L90 E247L67-N86 WeakPolarHBondContact CA-OD1 3.31Å; L67-N86 WeakPolarHBondContact CB-OD1 3.45Å; L67-N86 PolarHBondContact O-ND2 2.94Å; L67-N86 PolarHBondContact O-OD1 2.86Å; G71-N86 WeakPolarHBondContact CA-ND2 3.45Å; I82-N86 WeakPolarHBondContact O-CB 3.37Å; I82-N86 PolarHBondContact O-N 3.45Å; I83-N86 PolarHBondContact O-N 3.09Å; N86-F88 VanDerWaalsContact C-N 3.35Å; N86-F88 PolarHBondContact O-N 2.9Å; N86-L89 PolarHBondContact O-N 3.42Å; N86-L90 WeakPolarHBondContact O-CB 3.43Å; N86-L90 WeakPolarHBondContact O-CG 3.49Å; N86-L90 PolarHBondContact O-N 3.5Å; N86-E247 VanDerWaalsContact CB-OE1 3.26Å; N86-E247 WeakPolarHBondContact CB-OE1 3.5Å; N86-E247 PolarHBondContact ND2-OE1 3.17Å; N86-E247 PolarHBondContact ND2-OE2 3.37Å
87S88.6Confident87.8Confident11 Ų1154.4 Ų54.48%0.07731%0.309CS..Hα-helixtrans-59-43.2172.9-65.80000112.3I83 G84 F85 L90 V91 E247I83-S87 VanDerWaalsContact O-CB 3.31Å; I83-S87 WeakPolarHBondContact O-CB 3.42Å; I83-S87 PolarHBondContact O-N 3.49Å; I83-S87 PolarHBondContact O-OG 3.33Å; G84-S87 PolarHBondContact O-N 2.88Å; F85-S87 PolarHBondContact O-N 3.1Å; S87-L90 PolarHBondContact O-N 3.23Å; S87-V91 WeakPolarHBondContact O-CG2 3.38Å; S87-V91 PolarHBondContact O-N 2.73Å; S87-E247 PolarHBondContact N-OE1 3.37Å; S87-E247 VanDerWaalsContact OG-CD 3.3Å; S87-E247 VanDerWaalsContact OG-CG 3.27Å; S87-E247 WeakPolarHBondContact OG-CG 3.07Å; S87-E247 PolarHBondContact OG-OE1 3.18Å; S87-E247 VanDerWaalsContact OG-OE1 3.1Å
88F90.6Very high87.9Confident122 Ų12250.5 Ų50.554%0.53530%0.296SS..Hα-helixtrans-61.1-46.6176.5172.4-103.9000112G84 F85 N86 L90 V91 L92G84-F88 PolarHBondContact O-N 2.79Å; G84-F88 VanDerWaalsContact O-N 3.14Å; F85-F88 PolarHBondContact O-N 2.8Å; N86-F88 VanDerWaalsContact C-N 3.35Å; N86-F88 PolarHBondContact O-N 2.9Å; F88-L90 PolarHBondContact O-N 3.27Å; F88-V91 WeakPolarHBondContact O-CB 3.37Å; F88-V91 PolarHBondContact O-N 2.9Å; F88-L92 HydrophobicContact CD1-CD1 4.3Å; F88-L92 HydrophobicContact CE1-CD1 3.63Å; F88-L92 HydrophobicContact CE1-CG 4.46Å; F88-L92 HydrophobicContact CE2-CD1 4.44Å; F88-L92 HydrophobicContact CZ-CD1 3.72Å; F88-L92 HydrophobicContact CZ-CG 4.3Å; F88-L92 PolarHBondContact O-N 3.15Å
89L90.8Very high88.1Confident45 Ų4550.6 Ų50.624%0.23630%0.299CS..Hα-helixtrans-67.4-35.4178.3-66.7-177.2000112.7L67 F85 N86 V91 L92 T93L67-L89 HydrophobicContact CD1-CB 3.81Å; L67-L89 HydrophobicContact CD2-CB 3.71Å; L67-L89 HydrophobicContact CD2-CD1 3.5Å; L67-L89 VanDerWaalsContact CD2-CD1 3.5Å; L67-L89 HydrophobicContact CD2-CG 4.26Å; L67-L89 HydrophobicContact CG-CB 4.43Å; F85-L89 HydrophobicContact CD1-CD1 4.02Å; F85-L89 HydrophobicContact CE1-CD1 3.38Å; F85-L89 HydrophobicContact CE1-CG 4.28Å; F85-L89 HydrophobicContact CE2-CD1 4.29Å; F85-L89 HydrophobicContact CE2-CG 4.48Å; F85-L89 HydrophobicContact CZ-CD1 3.55Å; F85-L89 HydrophobicContact CZ-CG 4.2Å; F85-L89 PolarHBondContact O-N 3.48Å; F85-L89 VanDerWaalsContact O-N 3.12Å; N86-L89 PolarHBondContact O-N 3.42Å; L89-V91 VanDerWaalsContact C-N 3.33Å; L89-V91 PolarHBondContact O-N 2.96Å; L89-L92 HydrophobicContact CD2-CD1 4.41Å; L89-L92 PolarHBondContact O-N 3.33Å; L89-T93 WeakPolarHBondContact O-CG2 3.46Å; L89-T93 PolarHBondContact O-N 2.97Å; L89-T93 PolarHBondContact O-OG1 3.35Å
90L87.7Confident88Confident4 Ų451.9 Ų51.92%0.02131%0.31CS..Hα-helixtrans-64.3-36.5173.8-78.7174.7000112.4L67 N86 S87 F88 T93 T94 L244 E247L67-L90 HydrophobicContact CB-CD2 4.27Å; L67-L90 HydrophobicContact CD1-CD2 4.38Å; N86-L90 WeakPolarHBondContact O-CB 3.43Å; N86-L90 WeakPolarHBondContact O-CG 3.49Å; N86-L90 PolarHBondContact O-N 3.5Å; S87-L90 PolarHBondContact O-N 3.23Å; F88-L90 PolarHBondContact O-N 3.27Å; L90-T93 WeakPolarHBondContact CA-OG1 3.34Å; L90-T93 PolarHBondContact O-OG1 3.46Å; L90-T94 WeakPolarHBondContact O-CB 3.44Å; L90-T94 PolarHBondContact O-N 3.26Å; L90-T94 PolarHBondContact O-OG1 3.1Å; L90-L244 HydrophobicContact CB-CD1 4.15Å; L90-E247 WeakPolarHBondContact CD1-OE2 3.13Å
91V90.5Very high87.8Confident70 Ų7052.2 Ų52.242%0.42431%0.313SS..Hα-helixtrans-61-49.4173.1172.10000110.6S87 F88 L89 T94 A95 L244S87-V91 WeakPolarHBondContact O-CG2 3.38Å; S87-V91 PolarHBondContact O-N 2.73Å; F88-V91 WeakPolarHBondContact O-CB 3.37Å; F88-V91 PolarHBondContact O-N 2.9Å; L89-V91 VanDerWaalsContact C-N 3.33Å; L89-V91 PolarHBondContact O-N 2.96Å; V91-T94 PolarHBondContact O-N 2.89Å; V91-A95 VanDerWaalsContact O-CB 3.29Å; V91-A95 WeakPolarHBondContact O-CB 3.48Å; V91-A95 PolarHBondContact O-N 3.47Å; V91-L244 HydrophobicContact CG2-CD1 3.66Å; V91-L244 HydrophobicContact CG2-CD2 3.8Å; V91-L244 HydrophobicContact CG2-CG 4.37Å
92L90.1Very high87.8Confident95 Ų9554.7 Ų54.750%0.49731%0.313SS..Hα-helixtrans-61.5-47.7-178.5-67.4-179.6000112F88 L89 G96F88-L92 HydrophobicContact CD1-CD1 4.3Å; F88-L92 HydrophobicContact CE1-CD1 3.63Å; F88-L92 HydrophobicContact CE1-CG 4.46Å; F88-L92 HydrophobicContact CE2-CD1 4.44Å; F88-L92 HydrophobicContact CZ-CD1 3.72Å; F88-L92 HydrophobicContact CZ-CG 4.3Å; F88-L92 PolarHBondContact O-N 3.15Å; L89-L92 HydrophobicContact CD2-CD1 4.41Å; L89-L92 PolarHBondContact O-N 3.33Å; L92-G96 PolarHBondContact O-N 3.49Å
93T85.6Confident87.6Confident32 Ų3255 Ų5520%0.19632%0.315CS..Hα-helixtrans-65.8-44.1179.850.50000111.5L67 L89 L90 A95 G96 T97L67-T93 HydrophobicContact CD1-CG2 3.95Å; L89-T93 WeakPolarHBondContact O-CG2 3.46Å; L89-T93 PolarHBondContact O-N 2.97Å; L89-T93 PolarHBondContact O-OG1 3.35Å; L90-T93 WeakPolarHBondContact CA-OG1 3.34Å; L90-T93 PolarHBondContact O-OG1 3.46Å; T93-A95 PolarHBondContact O-N 3.39Å; T93-G96 PolarHBondContact O-N 2.9Å; T93-T97 VanDerWaalsContact O-CG2 3.32Å; T93-T97 WeakPolarHBondContact O-CG2 3.29Å; T93-T97 PolarHBondContact O-N 3.32Å; T93-T97 PolarHBondContact O-OG1 2.98Å; T93-T97 VanDerWaalsContact O-OG1 3.1Å
94T85.9Confident87.2Confident9 Ų958 Ų586%0.05534%0.34CS..Hα-helixtrans-63.4-43.5177.9-55.20000111.9L90 V91 T97 L98 H240L90-T94 WeakPolarHBondContact O-CB 3.44Å; L90-T94 PolarHBondContact O-N 3.26Å; L90-T94 PolarHBondContact O-OG1 3.1Å; V91-T94 PolarHBondContact O-N 2.89Å; T94-T97 WeakPolarHBondContact CA-OG1 3.31Å; T94-T97 PolarHBondContact O-N 3.5Å; T94-T97 PolarHBondContact O-OG1 3.48Å; T94-L98 HydrophobicContact CG2-CD1 4.14Å; T94-L98 WeakPolarHBondContact O-CB 3.32Å; T94-L98 VanDerWaalsContact O-CG 3.28Å; T94-L98 WeakPolarHBondContact O-CG 3.28Å; T94-L98 PolarHBondContact O-N 2.98Å; T94-H240 HydrophobicContact CG2-CB 4.37Å
95A89.7Confident86.9Confident51 Ų5161.7 Ų61.742%0.42135%0.353SS..Hα-helixtrans-63-46.1176.400000111V91 T93 T97 L98 V99V91-A95 VanDerWaalsContact O-CB 3.29Å; V91-A95 WeakPolarHBondContact O-CB 3.48Å; V91-A95 PolarHBondContact O-N 3.47Å; T93-A95 PolarHBondContact O-N 3.39Å; A95-T97 PolarHBondContact O-N 2.94Å; A95-L98 PolarHBondContact O-N 2.82Å; A95-V99 WeakPolarHBondContact O-CG2 3.42Å; A95-V99 PolarHBondContact O-N 2.86Å
96G87.4Confident86.7Confident40 Ų4058.3 Ų58.341%0.41235%0.349SS..Hα-helixtrans-60-44.7176.700000112.9L92 T93 V99 A100L92-G96 PolarHBondContact O-N 3.49Å; T93-G96 PolarHBondContact O-N 2.9Å; G96-V99 PolarHBondContact O-N 3.01Å; G96-A100 WeakPolarHBondContact O-CB 3.19Å; G96-A100 PolarHBondContact O-N 3.45Å
97T82.7Confident86.2Confident42 Ų4263.3 Ų63.326%0.25837%0.371SS..Hα-helixtrans-67.7-36.9179.3540000112.5T93 T94 A95 S101T93-T97 VanDerWaalsContact O-CG2 3.32Å; T93-T97 WeakPolarHBondContact O-CG2 3.29Å; T93-T97 PolarHBondContact O-N 3.32Å; T93-T97 PolarHBondContact O-OG1 2.98Å; T93-T97 VanDerWaalsContact O-OG1 3.1Å; T94-T97 WeakPolarHBondContact CA-OG1 3.31Å; T94-T97 PolarHBondContact O-N 3.5Å; T94-T97 PolarHBondContact O-OG1 3.48Å; A95-T97 PolarHBondContact O-N 2.94Å; T97-S101 VanDerWaalsContact O-CB 3.27Å; T97-S101 WeakPolarHBondContact O-CB 3.15Å; T97-S101 PolarHBondContact O-N 2.91Å; T97-S101 PolarHBondContact O-OG 3.37Å
98L86.6Confident85.7Confident86 Ų8664.7 Ų64.745%0.4538%0.375SS..Hα-helixtrans-65.6-45.9176-76.4172.8000111.5T94 A95 S101 F102T94-L98 HydrophobicContact CG2-CD1 4.14Å; T94-L98 WeakPolarHBondContact O-CB 3.32Å; T94-L98 VanDerWaalsContact O-CG 3.28Å; T94-L98 WeakPolarHBondContact O-CG 3.28Å; T94-L98 PolarHBondContact O-N 2.98Å; A95-L98 PolarHBondContact O-N 2.82Å; L98-S101 PolarHBondContact O-N 3.41Å; L98-F102 WeakPolarHBondContact O-CB 3.27Å; L98-F102 PolarHBondContact O-N 2.93Å
99V88.4Confident85.1Confident87 Ų8764.1 Ų64.153%0.52738%0.378SS..Hα-helixtrans-61.1-48.5176172.50000110.3A95 G96 S101 F102 L103A95-V99 WeakPolarHBondContact O-CG2 3.42Å; A95-V99 PolarHBondContact O-N 2.86Å; G96-V99 PolarHBondContact O-N 3.01Å; V99-S101 PolarHBondContact O-N 2.94Å; V99-F102 PolarHBondContact O-N 3.02Å; V99-L103 HydrophobicContact CG1-CD1 3.81Å; V99-L103 HydrophobicContact CG1-CG 4.29Å; V99-L103 WeakPolarHBondContact O-CB 3.37Å; V99-L103 VanDerWaalsContact O-CG 3.24Å; V99-L103 WeakPolarHBondContact O-CG 3.33Å; V99-L103 PolarHBondContact O-N 2.71Å
100A83.5Confident84.4Confident56 Ų5667 Ų6746%0.46339%0.388SS..Hα-helixtrans-61.2-43178.700000112.5G96 L103 A104G96-A100 WeakPolarHBondContact O-CB 3.19Å; G96-A100 PolarHBondContact O-N 3.45Å; A100-L103 PolarHBondContact O-N 2.87Å; A100-A104 WeakPolarHBondContact O-CB 3.46Å; A100-A104 PolarHBondContact O-N 2.8Å
101S82.9Confident83.5Confident25 Ų2569.8 Ų69.818%0.17541%0.405CS..Hα-helixtrans-63.9-42.7177.8-58.60000111.5T97 L98 V99 A104 I105T97-S101 VanDerWaalsContact O-CB 3.27Å; T97-S101 WeakPolarHBondContact O-CB 3.15Å; T97-S101 PolarHBondContact O-N 2.91Å; T97-S101 PolarHBondContact O-OG 3.37Å; L98-S101 PolarHBondContact O-N 3.41Å; V99-S101 PolarHBondContact O-N 2.94Å; S101-A104 PolarHBondContact O-N 2.86Å; S101-I105 WeakPolarHBondContact O-CG1 3.09Å; S101-I105 PolarHBondContact O-N 3.41Å; S101-I105 VanDerWaalsContact O-N 3.1Å
102F85.9Confident82.6Confident148 Ų14867.3 Ų67.365%0.64939%0.392SS*.Hα-helixtrans-63.2-46.7176.1177.9-99.4000111.7L98 V99 A104 I105 A106L98-F102 WeakPolarHBondContact O-CB 3.27Å; L98-F102 PolarHBondContact O-N 2.93Å; V99-F102 PolarHBondContact O-N 3.02Å; F102-A104 VanDerWaalsContact C-N 3.35Å; F102-A104 PolarHBondContact O-N 3.38Å; F102-I105 PolarHBondContact O-N 3.29Å; F102-A106 HydrophobicContact CE1-CB 4.41Å; F102-A106 VanDerWaalsContact O-CB 3.24Å; F102-A106 WeakPolarHBondContact O-CB 3.47Å; F102-A106 PolarHBondContact O-N 3.23Å
103L84.9Confident81.9Confident80 Ų8068.2 Ų68.242%0.41940%0.398SS..Hα-helixtrans-61.1-43.4176.8-68.7172.7000111.4V99 A100 I105 A106 F107V99-L103 HydrophobicContact CG1-CD1 3.81Å; V99-L103 HydrophobicContact CG1-CG 4.29Å; V99-L103 WeakPolarHBondContact O-CB 3.37Å; V99-L103 VanDerWaalsContact O-CG 3.24Å; V99-L103 WeakPolarHBondContact O-CG 3.33Å; V99-L103 PolarHBondContact O-N 2.71Å; A100-L103 PolarHBondContact O-N 2.87Å; L103-I105 VanDerWaalsContact C-N 3.32Å; L103-I105 PolarHBondContact O-N 3.39Å; L103-A106 PolarHBondContact O-N 2.83Å; L103-F107 HydrophobicContact CB-CD2 4.39Å; L103-F107 HydrophobicContact CD2-CD2 4.13Å; L103-F107 HydrophobicContact CD2-CE2 3.68Å; L103-F107 WeakPolarHBondContact O-CB 3.32Å; L103-F107 WeakPolarHBondContact O-CD2 3.46Å; L103-F107 PolarHBondContact O-N 3.14Å
104A79.4Confident81.2Confident64 Ų6472.7 Ų72.753%0.52941%0.411SS..Hα-helixtrans-59.6-42.7178.500000112A100 S101 F102 F108A100-A104 WeakPolarHBondContact O-CB 3.46Å; A100-A104 PolarHBondContact O-N 2.8Å; S101-A104 PolarHBondContact O-N 2.86Å; F102-A104 VanDerWaalsContact C-N 3.35Å; F102-A104 PolarHBondContact O-N 3.38Å; A104-F108 WeakPolarHBondContact O-CB 3.32Å; A104-F108 PolarHBondContact O-N 3Å
105I82.6Confident80.5Confident99 Ų9972.4 Ų72.451%0.50841%0.409SS..Hα-helixtrans-70.7-47.5177.2-64.5165.8000110.7S101 F102 L103 F107 F108S101-I105 WeakPolarHBondContact O-CG1 3.09Å; S101-I105 PolarHBondContact O-N 3.41Å; S101-I105 VanDerWaalsContact O-N 3.1Å; F102-I105 PolarHBondContact O-N 3.29Å; L103-I105 VanDerWaalsContact C-N 3.32Å; L103-I105 PolarHBondContact O-N 3.39Å; I105-F107 VanDerWaalsContact C-N 3.32Å; I105-F107 PolarHBondContact O-N 3.48Å; I105-F108 WeakPolarHBondContact O-CB 3.39Å; I105-F108 PolarHBondContact O-N 2.88Å
106A86.4Confident80Confident55 Ų5574.7 Ų74.746%0.45541%0.414SS..Hα-helixtrans-64.8-34.3-175.500000113.2F102 L103F102-A106 HydrophobicContact CE1-CB 4.41Å; F102-A106 VanDerWaalsContact O-CB 3.24Å; F102-A106 WeakPolarHBondContact O-CB 3.47Å; F102-A106 PolarHBondContact O-N 3.23Å; L103-A106 PolarHBondContact O-N 2.83Å
107F80.5Confident79.8Confident108 Ų10874.6 Ų74.647%0.47441%0.413SS..THydrogen-bonded Turntrans-98.41.9179.6-69-72.9000113.6L103 I105 D109 K110 V111L103-F107 HydrophobicContact CB-CD2 4.39Å; L103-F107 HydrophobicContact CD2-CD2 4.13Å; L103-F107 HydrophobicContact CD2-CE2 3.68Å; L103-F107 WeakPolarHBondContact O-CB 3.32Å; L103-F107 WeakPolarHBondContact O-CD2 3.46Å; L103-F107 PolarHBondContact O-N 3.14Å; I105-F107 VanDerWaalsContact C-N 3.32Å; I105-F107 PolarHBondContact O-N 3.48Å; F107-D109 PolarHBondContact O-N 2.9Å; F107-K110 HydrophobicContact CD1-CD 4.12Å; F107-K110 WeakPolarHBondContact O-CB 3.25Å; F107-K110 PolarHBondContact O-N 3.44Å; F107-K110 VanDerWaalsContact O-N 3.15Å; F107-V111 PolarHBondContact O-N 3.2Å; F107-V111 VanDerWaalsContact O-N 3.08Å
108F78.3Confident80Confident41 Ų4173.4 Ų73.418%0.1840%0.404CS..Hα-helixtrans-55.4-50.7-177.4-175.9-100.7000112.3A104 I105 K110 V111 A112 I223 C226A104-F108 WeakPolarHBondContact O-CB 3.32Å; A104-F108 PolarHBondContact O-N 3Å; I105-F108 WeakPolarHBondContact O-CB 3.39Å; I105-F108 PolarHBondContact O-N 2.88Å; F108-K110 VanDerWaalsContact C-N 3.25Å; F108-K110 PolarHBondContact O-N 2.78Å; F108-V111 PolarHBondContact O-N 2.8Å; F108-V111 VanDerWaalsContact O-N 3.12Å; F108-A112 HydrophobicContact CE1-CB 4.47Å; F108-A112 PolarHBondContact O-N 3.26Å; F108-I223 HydrophobicContact CE1-CG1 4.07Å; F108-I223 HydrophobicContact CZ-CB 4.25Å; F108-I223 HydrophobicContact CZ-CG1 3.79Å; F108-I223 HydrophobicContact CZ-CG2 4.47Å; F108-C226 HydrophobicContact CD2-CB 4.24Å; F108-C226 HydrophobicContact CE2-CB 3.45Å; F108-C226 VanDerWaalsContact CE2-CB 3.45Å; F108-C226 HydrophobicContact CZ-CB 4.06Å
109D77.2Confident80.1Confident110 Ų11069.3 Ų69.359%0.58838%0.383SS*.Hα-helixtrans-63.8-33.7-178.6-64.4-28.5000112.2F107 V111 A112 N113F107-D109 PolarHBondContact O-N 2.9Å; D109-V111 VanDerWaalsContact C-N 3.35Å; D109-A112 PolarHBondContact O-N 2.95Å; D109-N113 WeakPolarHBondContact O-CB 3.49Å; D109-N113 PolarHBondContact O-N 3.3Å; D109-N113 PolarHBondContact O-ND2 2.93Å
110K75.8Confident80.4Confident105 Ų10569.7 Ų69.746%0.45738%0.375SS..Hα-helixtrans-67-39.4177.1-169.9176.8-177.11800111.1F107 F108 R114F107-K110 HydrophobicContact CD1-CD 4.12Å; F107-K110 WeakPolarHBondContact O-CB 3.25Å; F107-K110 PolarHBondContact O-N 3.44Å; F107-K110 VanDerWaalsContact O-N 3.15Å; F108-K110 VanDerWaalsContact C-N 3.25Å; F108-K110 PolarHBondContact O-N 2.78Å; K110-R114 WeakPolarHBondContact O-CB 3.32Å; K110-R114 VanDerWaalsContact O-CG 3.24Å; K110-R114 WeakPolarHBondContact O-CG 3.32Å; K110-R114 PolarHBondContact O-N 3.38Å
111V69.4Low80.7Confident62 Ų6268.7 Ų68.738%0.37636%0.362SS..Hα-helixtrans-68.1-47.1174.4176.70000109.9F107 F108 D109 N113 R114 M115F107-V111 PolarHBondContact O-N 3.2Å; F107-V111 VanDerWaalsContact O-N 3.08Å; F108-V111 PolarHBondContact O-N 2.8Å; F108-V111 VanDerWaalsContact O-N 3.12Å; D109-V111 VanDerWaalsContact C-N 3.35Å; V111-N113 PolarHBondContact O-N 3.37Å; V111-R114 PolarHBondContact O-N 2.78Å; V111-M115 WeakPolarHBondContact O-CG 3.28Å; V111-M115 PolarHBondContact O-N 3.44Å
112A72.4Confident81.1Confident18 Ų1867.5 Ų67.515%0.14935%0.354CS..Hα-helixtrans-58-44.8179.900000112.5F108 D109 M115F108-A112 HydrophobicContact CE1-CB 4.47Å; F108-A112 PolarHBondContact O-N 3.26Å; D109-A112 PolarHBondContact O-N 2.95Å; A112-M115 PolarHBondContact O-N 3.16Å
113N74.7Confident81.6Confident115 Ų11560.5 Ų60.562%0.61532%0.323SS*.Hα-helixtrans-71.6-29.6179.4-69.5-24.4000113.3D109 V111 M115 D116D109-N113 WeakPolarHBondContact O-CB 3.49Å; D109-N113 PolarHBondContact O-N 3.3Å; D109-N113 PolarHBondContact O-ND2 2.93Å; V111-N113 PolarHBondContact O-N 3.37Å; N113-M115 VanDerWaalsContact C-N 3.27Å; N113-M115 PolarHBondContact O-N 3.42Å; N113-D116 PolarHBondContact O-N 3.28Å
114R70.9Confident82Confident125 Ų12558.7 Ų58.747%0.47231%0.312SS..Hα-helixtrans-72-22.9178.5-83-179.9175.7-162.9-5.6113H44 E45 K110 V111 D116H44-R114 PolarHBondContact CE1-O 3.49Å; H44-R114 PolarHBondContact NE2-O 3.49Å; H44-R114 VanDerWaalsContact NE2-O 3.16Å; E45-R114 IonicContact OE1-NH1 3.12Å; K110-R114 WeakPolarHBondContact O-CB 3.32Å; K110-R114 VanDerWaalsContact O-CG 3.24Å; K110-R114 WeakPolarHBondContact O-CG 3.32Å; K110-R114 PolarHBondContact O-N 3.38Å; V111-R114 PolarHBondContact O-N 2.78Å; R114-D116 PolarHBondContact O-N 3.33Å
115M71.8Confident82.7Confident3 Ų363.2 Ų63.22%0.01532%0.316CS..THydrogen-bonded Turntrans-68.9-13.7177.5-69-171.713900113.7Y40 V41 V111 A112 N113 G117 Y118 I222Y40-M115 HydrophobicContact CD1-CE 3.39Å; Y40-M115 HydrophobicContact CD1-SD 4.39Å; Y40-M115 HydrophobicContact CE1-CE 3.32Å; Y40-M115 HydrophobicContact CE1-CG 4.33Å; Y40-M115 HydrophobicContact CE1-SD 3.82Å; V41-M115 HydrophobicContact CB-CE 4.11Å; V41-M115 HydrophobicContact CG1-CE 4.31Å; V41-M115 HydrophobicContact CG2-CE 3.37Å; V111-M115 WeakPolarHBondContact O-CG 3.28Å; V111-M115 PolarHBondContact O-N 3.44Å; A112-M115 PolarHBondContact O-N 3.16Å; N113-M115 VanDerWaalsContact C-N 3.27Å; N113-M115 PolarHBondContact O-N 3.42Å; M115-G117 PolarHBondContact O-N 2.79Å; M115-Y118 PolarHBondContact O-N 3.27Å; M115-I222 HydrophobicContact CE-CD1 3.7Å; M115-I222 HydrophobicContact SD-CD1 3.77Å
116D78.7Confident83.1Confident100 Ų10060.6 Ų60.654%0.53530%0.299SS..THydrogen-bonded Turntrans-66.1126.8-179.8-81.3-27.6000112N113 R114 Y118 Q215N113-D116 PolarHBondContact O-N 3.28Å; R114-D116 PolarHBondContact O-N 3.33Å; D116-Y118 PolarHBondContact O-N 2.91Å; D116-Q215 PolarHBondContact OD1-NE2 3.11Å
117G83.7Confident83.5Confident37 Ų3758.3 Ų58.338%0.38128%0.279SS..THydrogen-bonded Turntrans77.9-12-178.300000115M115 F119 Y120 D121M115-G117 PolarHBondContact O-N 2.79Å; G117-F119 PolarHBondContact O-N 3.43Å; G117-Y120 WeakPolarHBondContact O-CB 3.47Å; G117-Y120 PolarHBondContact O-N 3Å; G117-D121 PolarHBondContact O-N 2.82Å; G117-D121 VanDerWaalsContact O-N 3.09Å
118Y85.8Confident84.1Confident18 Ų1854 Ų547%0.07127%0.265CS..Hα-helixtrans-62.7-44176.6178-111.9000112Y40 Y43 H44 M115 D116 Y120 D121 L122Y40-Y118 HydrophobicContact CD2-CD1 4.19Å; Y40-Y118 AromaticContact CD2-CE1 3.94Å; Y40-Y118 HydrophobicContact CD2-CE1 3.94Å; Y40-Y118 AromaticContact CE2-CD1 3.42Å; Y40-Y118 HydrophobicContact CE2-CD1 3.42Å; Y40-Y118 VanDerWaalsContact CE2-CD1 3.42Å; Y40-Y118 AromaticContact CE2-CE1 3.61Å; Y40-Y118 HydrophobicContact CE2-CE1 3.61Å; Y40-Y118 AromaticContact CZ-CD1 3.62Å; Y43-Y118 WeakPolarHBondContact CB-OH 3.31Å; Y43-Y118 PolarHBondContact O-OH 3.45Å; H44-Y118 VanDerWaalsContact CA-CZ 3.47Å; H44-Y118 HydrophobicContact CB-CD1 4.13Å; H44-Y118 HydrophobicContact CB-CD2 4.39Å; H44-Y118 HydrophobicContact CB-CE1 3.95Å; H44-Y118 HydrophobicContact CB-CE2 4.19Å; H44-Y118 HydrophobicContact CB-CG 4.36Å; H44-Y118 AromaticContact CE1-CD2 3.87Å; H44-Y118 AromaticContact CE1-CG 3.84Å; H44-Y118 PolarHBondContact N-OH 2.93Å; H44-Y118 WeakPolarHBondContact ND1-CB 3.32Å; H44-Y118 AromaticContact ND1-CD1 3.6Å; H44-Y118 AromaticContact ND1-CD2 3.04Å; H44-Y118 WeakPolarHBondContact ND1-CD2 3.49Å; H44-Y118 AromaticContact ND1-CE2 3.64Å; H44-Y118 AromaticContact ND1-CG 3.01Å; M115-Y118 PolarHBondContact O-N 3.27Å; D116-Y118 PolarHBondContact O-N 2.91Å; Y118-Y120 PolarHBondContact O-N 3.31Å; Y118-D121 PolarHBondContact O-N 3.38Å; Y118-L122 PolarHBondContact O-N 3.05Å
119F89.8Confident84.8Confident0 Ų059.9 Ų59.90%029%0.286CS..Hα-helixtrans-62.6-33.2176.8-156.2-81.9000111.9Y40 G117 L122 V123 V137 V140 G148 C214 Q215Y40-F119 HydrophobicContact CD2-CD2 4.26Å; Y40-F119 HydrophobicContact CE2-CB 4.38Å; Y40-F119 AromaticContact CE2-CD2 3.49Å; Y40-F119 HydrophobicContact CE2-CD2 3.49Å; Y40-F119 VanDerWaalsContact CE2-CD2 3.49Å; Y40-F119 HydrophobicContact CE2-CE2 4.23Å; Y40-F119 HydrophobicContact CE2-CG 4.4Å; G117-F119 PolarHBondContact O-N 3.43Å; F119-L122 PolarHBondContact O-N 3.37Å; F119-V123 HydrophobicContact CD1-CG2 3.59Å; F119-V123 HydrophobicContact CE1-CG2 3.37Å; F119-V123 HydrophobicContact CZ-CG2 4.36Å; F119-V123 WeakPolarHBondContact O-CG2 3.24Å; F119-V123 PolarHBondContact O-N 3.43Å; F119-V137 HydrophobicContact CZ-CG1 4.4Å; F119-V137 HydrophobicContact CZ-CG2 4.4Å; F119-V140 HydrophobicContact CE2-CB 4.05Å; F119-V140 HydrophobicContact CE2-CG1 3.64Å; F119-V140 HydrophobicContact CE2-CG2 4.11Å; F119-V140 HydrophobicContact CZ-CB 4.15Å; F119-V140 HydrophobicContact CZ-CG1 3.77Å; F119-G148 WeakPolarHBondContact CE1-O 3.33Å; F119-C214 HydrophobicContact CD1-CB 3.96Å; F119-C214 HydrophobicContact CD2-CB 4.36Å; F119-C214 HydrophobicContact CE1-CB 3.43Å; F119-C214 VanDerWaalsContact CE1-CB 3.43Å; F119-C214 HydrophobicContact CE2-CB 3.95Å; F119-C214 HydrophobicContact CG-CB 4.4Å; F119-C214 HydrophobicContact CZ-CB 3.44Å; F119-C214 VanDerWaalsContact CZ-CB 3.44Å; F119-Q215 HydrophobicContact CB-CB 4.37Å
120Y92.9Very high85.4Confident94 Ų9457.5 Ų57.537%0.36927%0.272SS..Hα-helixtrans-65.2-46175.2-178.4-89.1000111.5G117 Y118 L122 V123 H124 S149 D154G117-Y120 WeakPolarHBondContact O-CB 3.47Å; G117-Y120 PolarHBondContact O-N 3Å; Y118-Y120 PolarHBondContact O-N 3.31Å; Y120-L122 VanDerWaalsContact C-N 3.3Å; Y120-L122 PolarHBondContact O-N 3.45Å; Y120-V123 PolarHBondContact O-N 2.87Å; Y120-H124 HydrophobicContact CD1-CB 4.33Å; Y120-H124 HydrophobicContact CE1-CB 3.98Å; Y120-H124 WeakPolarHBondContact O-CB 3.24Å; Y120-H124 PolarHBondContact O-N 3.47Å; Y120-S149 PolarHBondContact N-OG 3.08Å; Y120-S149 VanDerWaalsContact N-OG 3.14Å; Y120-D154 HydrophobicContact CD2-CB 4.32Å; Y120-D154 HydrophobicContact CE2-CB 4.26Å
121D91.1Very high86.1Confident36 Ų3658.8 Ų58.819%0.19328%0.279CS..Hα-helixtrans-61.4-40.7175.3-169.274.8000111.4G117 Y118 H124 R125 R126G117-D121 PolarHBondContact O-N 2.82Å; G117-D121 VanDerWaalsContact O-N 3.09Å; Y118-D121 PolarHBondContact O-N 3.38Å; D121-H124 PolarHBondContact O-N 3.3Å; D121-R125 WeakPolarHBondContact O-CA 3.44Å; D121-R125 WeakPolarHBondContact O-CB 3.13Å; D121-R125 PolarHBondContact O-N 3.44Å; D121-R125 WeakPolarHBondContact OD1-CD 3.36Å; D121-R125 IonicContact OD1-CZ 3.44Å; D121-R125 IonicContact OD1-NE 3.46Å; D121-R125 PolarHBondContact OD1-NE 3.24Å; D121-R125 IonicContact OD1-NH1 3.93Å; D121-R125 PolarHBondContact OD1-NH1 3.39Å; D121-R126 PolarHBondContact O-N 2.9Å; D121-R126 IonicContact OD2-NE 3.35Å
122L91.6Very high86.9Confident0 Ų058.7 Ų58.70%027%0.272CS..Iπ-helixtrans-59.8-49.2176.6-166.970.9000111.7Y118 F119 Y120 R126 Y127 W132 A133 L136 V137Y118-L122 PolarHBondContact O-N 3.05Å; F119-L122 PolarHBondContact O-N 3.37Å; Y120-L122 VanDerWaalsContact C-N 3.3Å; Y120-L122 PolarHBondContact O-N 3.45Å; L122-R126 HydrophobicContact CD1-CB 4.26Å; L122-R126 CarbonylContact O-C 3.56Å; L122-R126 PolarHBondContact O-N 3.18Å; L122-Y127 WeakPolarHBondContact O-CB 3.28Å; L122-Y127 PolarHBondContact O-N 3.23Å; L122-W132 HydrophobicContact CD1-CH2 3.87Å; L122-W132 HydrophobicContact CD1-CZ3 3.79Å; L122-A133 HydrophobicContact CD1-CB 3.56Å; L122-A133 HydrophobicContact CG-CB 4.4Å; L122-L136 HydrophobicContact CD2-CD2 3.71Å; L122-L136 HydrophobicContact CD2-CG 4.12Å; L122-V137 HydrophobicContact CB-CG2 4.45Å; L122-V137 HydrophobicContact CD2-CG2 3.44Å; L122-V137 VanDerWaalsContact CD2-CG2 3.44Å; L122-V137 HydrophobicContact CG-CG2 3.59Å
123V94.5Very high87.7Confident0 Ų057.8 Ų57.80%027%0.265CS..Iπ-helixtrans-68.3-45.2178.3169.30000112F119 Y120 Y127 V137 D154 Y155F119-V123 HydrophobicContact CD1-CG2 3.59Å; F119-V123 HydrophobicContact CE1-CG2 3.37Å; F119-V123 HydrophobicContact CZ-CG2 4.36Å; F119-V123 WeakPolarHBondContact O-CG2 3.24Å; F119-V123 PolarHBondContact O-N 3.43Å; Y120-V123 PolarHBondContact O-N 2.87Å; V123-Y127 VanDerWaalsContact O-CB 3.29Å; V123-Y127 WeakPolarHBondContact O-CB 3.46Å; V123-V137 HydrophobicContact CG2-CG1 4.16Å; V123-V137 HydrophobicContact CG2-CG2 4.32Å; V123-D154 HydrophobicContact CG1-CB 4.09Å; V123-Y155 HydrophobicContact CG1-CD1 4.06Å; V123-Y155 HydrophobicContact CG1-CD2 4.36Å; V123-Y155 HydrophobicContact CG1-CE1 3.73Å; V123-Y155 HydrophobicContact CG1-CE2 4.05Å; V123-Y155 HydrophobicContact CG1-CG 4.36Å
124H94.4Very high88.5Confident43 Ų4353.2 Ų53.220%0.19924%0.241CC..Iπ-helixtrans-83.1-37.1-168.8-165.375.5000112.8Y120 D121 D154 L156 S158 Y159Y120-H124 HydrophobicContact CD1-CB 4.33Å; Y120-H124 HydrophobicContact CE1-CB 3.98Å; Y120-H124 WeakPolarHBondContact O-CB 3.24Å; Y120-H124 PolarHBondContact O-N 3.47Å; D121-H124 PolarHBondContact O-N 3.3Å; H124-D154 PolarHBondContact ND1-O 3.02Å; H124-L156 PolarHBondContact CE1-O 3Å; H124-S158 WeakPolarHBondContact O-CA 3.26Å; H124-Y159 PolarHBondContact O-N 3.1Å
125R93.1Very high89.5Confident159 Ų15949.5 Ų49.560%0.623%0.231SC*.Iπ-helixtrans-110-35.3-172.2-57.2-159.7-176.7146.7-14.3115.1D121D121-R125 WeakPolarHBondContact O-CA 3.44Å; D121-R125 WeakPolarHBondContact O-CB 3.13Å; D121-R125 PolarHBondContact O-N 3.44Å; D121-R125 WeakPolarHBondContact OD1-CD 3.36Å; D121-R125 IonicContact OD1-CZ 3.44Å; D121-R125 IonicContact OD1-NE 3.46Å; D121-R125 PolarHBondContact OD1-NE 3.24Å; D121-R125 IonicContact OD1-NH1 3.93Å; D121-R125 PolarHBondContact OD1-NH1 3.39Å
126R92.5Very high90.3Very high43 Ų4349.8 Ų49.816%0.16223%0.232CC..Iπ-helixtrans-102.1-28.4-172.4-56.6-167.1-170.8-163.6-2.3113.3D46 D121 L122 G128 R129 E130 A133D46-R126 IonicContact OD1-CZ 3.78Å; D46-R126 IonicContact OD1-NH1 2.61Å; D46-R126 PolarHBondContact OD1-NH1 3.39Å; D46-R126 VanDerWaalsContact OD1-NH1 3.12Å; D46-R126 IonicContact OD1-NH2 3.57Å; D46-R126 IonicContact OD2-NH2 2.89Å; D121-R126 PolarHBondContact O-N 2.9Å; D121-R126 IonicContact OD2-NE 3.35Å; L122-R126 HydrophobicContact CD1-CB 4.26Å; L122-R126 CarbonylContact O-C 3.56Å; L122-R126 PolarHBondContact O-N 3.18Å; R126-G128 PolarHBondContact O-N 2.86Å; R126-R129 WeakPolarHBondContact O-CB 3.02Å; R126-R129 PolarHBondContact O-N 3.27Å; R126-E130 PolarHBondContact O-N 3.36Å; R126-A133 HydrophobicContact CB-CB 3.68Å
127Y94.2Very high90.9Very high7 Ų745 Ų453%0.02721%0.207CC..THydrogen-bonded Turntrans-62.2132.1179-171.1-98.9000111.7L122 V123 R129 T134 V137 D138 Y155 W160 P173L122-Y127 WeakPolarHBondContact O-CB 3.28Å; L122-Y127 PolarHBondContact O-N 3.23Å; V123-Y127 VanDerWaalsContact O-CB 3.29Å; V123-Y127 WeakPolarHBondContact O-CB 3.46Å; Y127-R129 PolarHBondContact O-N 3.37Å; Y127-R129 VanDerWaalsContact O-N 3.16Å; Y127-T134 HydrophobicContact CD2-CG2 4.28Å; Y127-T134 HydrophobicContact CE2-CG2 3.75Å; Y127-V137 HydrophobicContact CD2-CB 3.53Å; Y127-V137 HydrophobicContact CD2-CG1 3.67Å; Y127-V137 HydrophobicContact CD2-CG2 3.91Å; Y127-V137 HydrophobicContact CE2-CB 3.76Å; Y127-V137 HydrophobicContact CE2-CG1 3.74Å; Y127-D138 VanDerWaalsContact CE2-OD1 3.27Å; Y127-D138 WeakPolarHBondContact CE2-OD1 3.47Å; Y127-D138 PolarHBondContact OH-OD1 3.34Å; Y127-Y155 HydrophobicContact CD1-CD1 4.42Å; Y127-Y155 AromaticContact CD1-CE1 3.58Å; Y127-Y155 HydrophobicContact CD1-CE1 3.58Å; Y127-Y155 AromaticContact CE1-CE1 3.8Å; Y127-Y155 HydrophobicContact CE1-CE1 3.8Å; Y127-Y155 HydrophobicContact CG-CE1 4.21Å; Y127-W160 HydrophobicContact CD1-CB 3.5Å; Y127-W160 AromaticContact CD1-CD1 3.83Å; Y127-W160 HydrophobicContact CD1-CD2 4.26Å; Y127-W160 AromaticContact CD1-CG 3.56Å; Y127-W160 HydrophobicContact CD1-CG 3.56Å; Y127-W160 HydrophobicContact CE1-CB 4.04Å; Y127-W160 AromaticContact CE1-CD1 3.5Å; Y127-W160 AromaticContact CE1-CD2 3.93Å; Y127-W160 HydrophobicContact CE1-CD2 3.93Å; Y127-W160 AromaticContact CE1-CG 3.54Å; Y127-W160 HydrophobicContact CE1-CG 3.54Å; Y127-W160 AromaticContact CE1-NE1 3.85Å; Y127-P173 HydrophobicContact CE1-CB 3.77Å; Y127-P173 HydrophobicContact CE1-CG 3.84Å; Y127-P173 WeakPolarHBondContact OH-CB 3.13Å
128G93Very high91.4Very high17 Ų1743.9 Ų43.918%0.17519%0.192CC..THydrogen-bonded Turntrans74-12.8-172.500000114.7R126 T134 H164R126-G128 PolarHBondContact O-N 2.86Å; G128-T134 PolarHBondContact N-OG1 3.17Å; G128-H164 PolarHBondContact O-CE1 2.9Å
129R92.9Very high91.7Very high165 Ų16543.7 Ų43.762%0.62319%0.192SC*.THydrogen-bonded Turntrans-93.5-45.6176.1-166.1-179.9-166.1-173.43.1111.7R126 Y127 Y159R126-R129 WeakPolarHBondContact O-CB 3.02Å; R126-R129 PolarHBondContact O-N 3.27Å; Y127-R129 PolarHBondContact O-N 3.37Å; Y127-R129 VanDerWaalsContact O-N 3.16Å; R129-Y159 VanDerWaalsContact CA-CE1 3.43Å; R129-Y159 HydrophobicContact CB-CD1 3.57Å; R129-Y159 HydrophobicContact CB-CE1 3.49Å; R129-Y159 VanDerWaalsContact CB-CE1 3.49Å; R129-Y159 HydrophobicContact CB-CE2 4.44Å; R129-Y159 HydrophobicContact CB-CG 4.09Å; R129-Y159 HydrophobicContact CG-CD1 4.29Å; R129-Y159 HydrophobicContact CG-CE1 3.9Å; R129-Y159 HydrophobicContact CG-CE2 4.15Å
130E91Very high91.8Very high61 Ų6143.7 Ų43.729%0.28519%0.193SC..SBendtrans-115.2127.2-175.8-65.2175.1-139.600109.2R126 W132 A133 T134R126-E130 PolarHBondContact O-N 3.36Å; E130-W132 VanDerWaalsContact C-N 3.32Å; E130-W132 PolarHBondContact O-N 3.22Å; E130-W132 WeakPolarHBondContact OE2-CZ2 3.48Å; E130-W132 PolarHBondContact OE2-NE1 3.4Å; E130-A133 HydrophobicContact CB-CB 3.99Å; E130-A133 PolarHBondContact O-N 2.74Å; E130-T134 PolarHBondContact O-N 3Å; E130-T134 PolarHBondContact O-OG1 3.24Å
131Q89.6Confident91.9Very high132 Ų13239.2 Ų39.262%0.61718%0.175SC*.Hα-helixtrans-62.9-40-174.5-17362.937.600112.1T134 N135Q131-T134 PolarHBondContact O-N 3.33Å; Q131-N135 PolarHBondContact NE2-OD1 3.49Å; Q131-N135 WeakPolarHBondContact O-CB 3.13Å; Q131-N135 PolarHBondContact O-N 3.37Å; Q131-N135 PolarHBondContact O-OD1 2.78Å
132W86.3Confident92Very high59 Ų5939.4 Ų39.422%0.22317%0.174CC..Hα-helixtrans-65.3-40.2178.869.2-93.6000111.3Y43 L122 E130 N135 L136Y43-W132 AromaticContact CD1-CD2 3.75Å; Y43-W132 HydrophobicContact CD1-CD2 3.75Å; Y43-W132 AromaticContact CD1-CE2 3.99Å; Y43-W132 AromaticContact CD1-CE3 3.43Å; Y43-W132 HydrophobicContact CD1-CE3 3.43Å; Y43-W132 VanDerWaalsContact CD1-CE3 3.43Å; Y43-W132 AromaticContact CD1-CH2 3.67Å; Y43-W132 HydrophobicContact CD1-CH2 3.67Å; Y43-W132 AromaticContact CD1-CZ2 3.97Å; Y43-W132 HydrophobicContact CD1-CZ2 3.97Å; Y43-W132 AromaticContact CD1-CZ3 3.4Å; Y43-W132 HydrophobicContact CD1-CZ3 3.4Å; Y43-W132 HydrophobicContact CD2-CD2 4.36Å; Y43-W132 AromaticContact CD2-CE3 3.4Å; Y43-W132 HydrophobicContact CD2-CE3 3.4Å; Y43-W132 AromaticContact CD2-CZ3 3.52Å; Y43-W132 HydrophobicContact CD2-CZ3 3.52Å; Y43-W132 HydrophobicContact CE1-CB 4.46Å; Y43-W132 AromaticContact CE1-CD2 3.47Å; Y43-W132 HydrophobicContact CE1-CD2 3.47Å; Y43-W132 VanDerWaalsContact CE1-CD2 3.47Å; Y43-W132 AromaticContact CE1-CE2 3.94Å; Y43-W132 AromaticContact CE1-CE3 3.49Å; Y43-W132 HydrophobicContact CE1-CE3 3.49Å; Y43-W132 VanDerWaalsContact CE1-CE3 3.49Å; Y43-W132 AromaticContact CE1-CG 3.93Å; Y43-W132 HydrophobicContact CE1-CG 3.93Å; Y43-W132 HydrophobicContact CE1-CH2 4.4Å; Y43-W132 HydrophobicContact CE1-CZ2 4.38Å; Y43-W132 AromaticContact CE1-CZ3 3.99Å; Y43-W132 HydrophobicContact CE1-CZ3 3.99Å; Y43-W132 HydrophobicContact CE2-CB 4.49Å; Y43-W132 HydrophobicContact CE2-CD2 4.13Å; Y43-W132 AromaticContact CE2-CE3 3.48Å; Y43-W132 HydrophobicContact CE2-CE3 3.48Å; Y43-W132 VanDerWaalsContact CE2-CE3 3.48Å; Y43-W132 HydrophobicContact CE2-CZ3 4.11Å; Y43-W132 HydrophobicContact CG-CD2 4.2Å; Y43-W132 AromaticContact CG-CE3 3.39Å; Y43-W132 HydrophobicContact CG-CE3 3.39Å; Y43-W132 AromaticContact CG-CH2 3.75Å; Y43-W132 HydrophobicContact CG-CH2 3.75Å; Y43-W132 HydrophobicContact CG-CZ2 4.49Å; Y43-W132 AromaticContact CG-CZ3 3.14Å; Y43-W132 HydrophobicContact CG-CZ3 3.14Å; Y43-W132 AromaticContact CZ-CD2 3.68Å; Y43-W132 AromaticContact CZ-CE3 3.52Å; Y43-W132 AromaticContact CZ-CG 3.9Å; L122-W132 HydrophobicContact CD1-CH2 3.87Å; L122-W132 HydrophobicContact CD1-CZ3 3.79Å; E130-W132 VanDerWaalsContact C-N 3.32Å; E130-W132 PolarHBondContact O-N 3.22Å; E130-W132 WeakPolarHBondContact OE2-CZ2 3.48Å; E130-W132 PolarHBondContact OE2-NE1 3.4Å; W132-N135 PolarHBondContact O-N 2.9Å; W132-L136 HydrophobicContact CE3-CD2 4.41Å; W132-L136 HydrophobicContact CZ3-CD2 4.1Å; W132-L136 WeakPolarHBondContact O-CB 3.25Å; W132-L136 PolarHBondContact O-N 3.17Å
133A89.3Confident92Very high0 Ų041.5 Ų41.50%018%0.182CC..Hα-helixtrans-66-40.6177.100000111.1L122 R126 E130 L136 V137L122-A133 HydrophobicContact CD1-CB 3.56Å; L122-A133 HydrophobicContact CG-CB 4.4Å; R126-A133 HydrophobicContact CB-CB 3.68Å; E130-A133 HydrophobicContact CB-CB 3.99Å; E130-A133 PolarHBondContact O-N 2.74Å; A133-L136 PolarHBondContact O-N 3.45Å; A133-V137 WeakPolarHBondContact O-CB 3.17Å; A133-V137 VanDerWaalsContact O-CG2 3.28Å; A133-V137 WeakPolarHBondContact O-CG2 3.48Å; A133-V137 PolarHBondContact O-N 3.48Å
134T92.1Very high91.8Very high19 Ų1942.3 Ų42.312%0.11719%0.186CC..Hα-helixtrans-62.1-52.4176.4-540000111Y127 G128 E130 Q131 L136 V137 D138Y127-T134 HydrophobicContact CD2-CG2 4.28Å; Y127-T134 HydrophobicContact CE2-CG2 3.75Å; G128-T134 PolarHBondContact N-OG1 3.17Å; E130-T134 PolarHBondContact O-N 3Å; E130-T134 PolarHBondContact O-OG1 3.24Å; Q131-T134 PolarHBondContact O-N 3.33Å; T134-L136 VanDerWaalsContact C-N 3.29Å; T134-L136 PolarHBondContact O-N 2.85Å; T134-V137 PolarHBondContact O-N 2.88Å; T134-D138 WeakPolarHBondContact O-CB 3.47Å; T134-D138 PolarHBondContact O-N 3.25Å
135N90.6Very high91.8Very high47 Ų4746.7 Ų46.725%0.25120%0.204SC..Hα-helixtrans-58.3-42.6176.9-68.7-10.9000111.7Q131 W132 T139 P186Q131-N135 PolarHBondContact NE2-OD1 3.49Å; Q131-N135 WeakPolarHBondContact O-CB 3.13Å; Q131-N135 PolarHBondContact O-N 3.37Å; Q131-N135 PolarHBondContact O-OD1 2.78Å; W132-N135 PolarHBondContact O-N 2.9Å; N135-T139 VanDerWaalsContact O-CB 3.24Å; N135-T139 WeakPolarHBondContact O-CB 3.48Å; N135-T139 PolarHBondContact O-N 3.02Å; N135-T139 PolarHBondContact O-OG1 3.02Å; N135-P186 HydrophobicContact CB-CB 4.21Å; N135-P186 HydrophobicContact CB-CG 4.14Å
136L89.2Confident91.9Very high9 Ų939.1 Ų39.15%0.04718%0.176CC..Hα-helixtrans-62.6-53.2179.8177.361.5000111.2V36 D39 Y40 Y43 L122 W132 A133 T134 D138 T139 V140V36-L136 HydrophobicContact CG1-CD1 3.99Å; D39-L136 HydrophobicContact CB-CD1 3.98Å; Y40-L136 HydrophobicContact CD2-CD2 4.34Å; Y43-L136 HydrophobicContact CD2-CD2 4.18Å; L122-L136 HydrophobicContact CD2-CD2 3.71Å; L122-L136 HydrophobicContact CD2-CG 4.12Å; W132-L136 HydrophobicContact CE3-CD2 4.41Å; W132-L136 HydrophobicContact CZ3-CD2 4.1Å; W132-L136 WeakPolarHBondContact O-CB 3.25Å; W132-L136 PolarHBondContact O-N 3.17Å; A133-L136 PolarHBondContact O-N 3.45Å; T134-L136 VanDerWaalsContact C-N 3.29Å; T134-L136 PolarHBondContact O-N 2.85Å; L136-D138 PolarHBondContact O-N 3.46Å; L136-T139 PolarHBondContact O-N 3.48Å; L136-V140 HydrophobicContact CD1-CG2 4.33Å; L136-V140 WeakPolarHBondContact O-CG2 3.32Å; L136-V140 PolarHBondContact O-N 3.45Å
137V92.2Very high92Very high0 Ų037 Ų370%017%0.168CC..Hα-helixtrans-61-46.1179.41720000111.1F119 L122 V123 Y127 A133 T134 T139 V140 Q141 Y155F119-V137 HydrophobicContact CZ-CG1 4.4Å; F119-V137 HydrophobicContact CZ-CG2 4.4Å; L122-V137 HydrophobicContact CB-CG2 4.45Å; L122-V137 HydrophobicContact CD2-CG2 3.44Å; L122-V137 VanDerWaalsContact CD2-CG2 3.44Å; L122-V137 HydrophobicContact CG-CG2 3.59Å; V123-V137 HydrophobicContact CG2-CG1 4.16Å; V123-V137 HydrophobicContact CG2-CG2 4.32Å; Y127-V137 HydrophobicContact CD2-CB 3.53Å; Y127-V137 HydrophobicContact CD2-CG1 3.67Å; Y127-V137 HydrophobicContact CD2-CG2 3.91Å; Y127-V137 HydrophobicContact CE2-CB 3.76Å; Y127-V137 HydrophobicContact CE2-CG1 3.74Å; A133-V137 WeakPolarHBondContact O-CB 3.17Å; A133-V137 VanDerWaalsContact O-CG2 3.28Å; A133-V137 WeakPolarHBondContact O-CG2 3.48Å; A133-V137 PolarHBondContact O-N 3.48Å; T134-V137 PolarHBondContact O-N 2.88Å; V137-T139 PolarHBondContact O-N 3.06Å; V137-V140 PolarHBondContact O-N 2.79Å; V137-Q141 HydrophobicContact CG1-CG 4.23Å; V137-Q141 WeakPolarHBondContact O-CB 3.35Å; V137-Q141 VanDerWaalsContact O-CG 3.29Å; V137-Q141 WeakPolarHBondContact O-CG 3.31Å; V137-Q141 PolarHBondContact O-N 2.7Å; V137-Y155 WeakPolarHBondContact CG1-OH 3.45Å
138D93.7Very high92.1Very high13 Ų1336.7 Ų36.77%0.0717%0.167CC..Hα-helixtrans-58.8-41.9179.9-73.2-16.4000111.5Y127 T134 L136 F142 S175Y127-D138 VanDerWaalsContact CE2-OD1 3.27Å; Y127-D138 WeakPolarHBondContact CE2-OD1 3.47Å; Y127-D138 PolarHBondContact OH-OD1 3.34Å; T134-D138 WeakPolarHBondContact O-CB 3.47Å; T134-D138 PolarHBondContact O-N 3.25Å; L136-D138 PolarHBondContact O-N 3.46Å; D138-F142 VanDerWaalsContact O-CB 3.31Å; D138-F142 WeakPolarHBondContact O-CB 3.32Å; D138-F142 PolarHBondContact O-N 2.98Å; D138-S175 WeakPolarHBondContact OD1-CB 3.43Å; D138-S175 PolarHBondContact OD1-OG 3.38Å
139T91.6Very high92.2Very high13 Ų1335.9 Ų35.98%0.0816%0.158CC..Hα-helixtrans-73.1-38.5-178.7-51.20000111.7V36 N135 L136 V137 Y143 P185V36-T139 HydrophobicContact CB-CG2 4.43Å; V36-T139 HydrophobicContact CG2-CG2 3.1Å; N135-T139 VanDerWaalsContact O-CB 3.24Å; N135-T139 WeakPolarHBondContact O-CB 3.48Å; N135-T139 PolarHBondContact O-N 3.02Å; N135-T139 PolarHBondContact O-OG1 3.02Å; L136-T139 PolarHBondContact O-N 3.48Å; V137-T139 PolarHBondContact O-N 3.06Å; T139-Y143 HydrophobicContact CG2-CD2 3.58Å; T139-Y143 HydrophobicContact CG2-CE2 3.45Å; T139-Y143 VanDerWaalsContact CG2-CE2 3.45Å; T139-Y143 VanDerWaalsContact O-CD2 3.32Å; T139-Y143 WeakPolarHBondContact O-CD2 3.5Å; T139-Y143 PolarHBondContact O-N 2.82Å; T139-P185 HydrophobicContact CG2-CB 4.22Å; T139-P185 HydrophobicContact CG2-CG 3.73Å
140V91.8Very high92.2Very high1 Ų132.6 Ų32.61%0.00615%0.153CC..Hα-helixtrans-60.3-50.7172.2170.10000110.5V36 F119 L136 V137 F142 Y143 H144 C214 V218V36-V140 HydrophobicContact CG1-CB 4.27Å; V36-V140 HydrophobicContact CG1-CG2 3.21Å; F119-V140 HydrophobicContact CE2-CB 4.05Å; F119-V140 HydrophobicContact CE2-CG1 3.64Å; F119-V140 HydrophobicContact CE2-CG2 4.11Å; F119-V140 HydrophobicContact CZ-CB 4.15Å; F119-V140 HydrophobicContact CZ-CG1 3.77Å; L136-V140 HydrophobicContact CD1-CG2 4.33Å; L136-V140 WeakPolarHBondContact O-CG2 3.32Å; L136-V140 PolarHBondContact O-N 3.45Å; V137-V140 PolarHBondContact O-N 2.79Å; V140-F142 VanDerWaalsContact C-N 3.29Å; V140-F142 PolarHBondContact O-N 2.93Å; V140-Y143 PolarHBondContact O-N 3.49Å; V140-H144 VanDerWaalsContact O-CB 3.31Å; V140-H144 WeakPolarHBondContact O-CB 3.22Å; V140-H144 PolarHBondContact O-CD2 2.64Å; V140-H144 PolarHBondContact O-N 3.39Å; V140-C214 HydrophobicContact CG1-CB 3.98Å; V140-V218 HydrophobicContact CG1-CG2 3.46Å; V140-V218 VanDerWaalsContact CG1-CG2 3.46Å
141Q94.4Very high92.4Very high0 Ų032.5 Ų32.50%016%0.155CC..Hα-helixtrans-59.9-42-178.2-73.8-178.4-15.400111.7V137 K145 C146 G148 Y155 S175 C176V137-Q141 HydrophobicContact CG1-CG 4.23Å; V137-Q141 WeakPolarHBondContact O-CB 3.35Å; V137-Q141 VanDerWaalsContact O-CG 3.29Å; V137-Q141 WeakPolarHBondContact O-CG 3.31Å; V137-Q141 PolarHBondContact O-N 2.7Å; Q141-K145 WeakPolarHBondContact O-CA 3.43Å; Q141-K145 PolarHBondContact O-N 3.25Å; Q141-C146 WeakPolarHBondContact CA-O 3.27Å; Q141-C146 VanDerWaalsContact CB-O 3.31Å; Q141-C146 WeakPolarHBondContact CB-O 3.45Å; Q141-C146 WeakPolarHBondContact CG-O 3.38Å; Q141-C146 PolarHBondContact O-N 3.42Å; Q141-G148 VanDerWaalsContact NE2-N 3.13Å; Q141-Y155 PolarHBondContact NE2-OH 3.16Å; Q141-Y155 PolarHBondContact OE1-OH 3.08Å; Q141-S175 PolarHBondContact OE1-OG 2.81Å; Q141-C176 PolarHBondContact NE2-SG 2.72Å; Q141-C176 VanDerWaalsContact NE2-SG 3.42Å; Q141-C176 PolarHBondContact OE1-SG 3.41Å
142F93.4Very high92.7Very high39 Ų3926.6 Ų26.617%0.17113%0.128CC..Hα-helixtrans-59.4-59.1174.8-177-92.8000112.8D138 V140 K145 Q179 S183 P185 L189D138-F142 VanDerWaalsContact O-CB 3.31Å; D138-F142 WeakPolarHBondContact O-CB 3.32Å; D138-F142 PolarHBondContact O-N 2.98Å; V140-F142 VanDerWaalsContact C-N 3.29Å; V140-F142 PolarHBondContact O-N 2.93Å; F142-K145 PolarHBondContact O-N 3.3Å; F142-Q179 HydrophobicContact CD2-CB 4.22Å; F142-Q179 HydrophobicContact CD2-CG 3.72Å; F142-Q179 HydrophobicContact CE2-CB 3.78Å; F142-Q179 HydrophobicContact CE2-CG 3.8Å; F142-S183 WeakPolarHBondContact CZ-O 3.26Å; F142-P185 HydrophobicContact CB-CB 4.23Å; F142-P185 HydrophobicContact CB-CG 3.95Å; F142-P185 HydrophobicContact CD1-CG 3.69Å; F142-P185 HydrophobicContact CD2-CG 4.43Å; F142-P185 HydrophobicContact CE1-CG 4.34Å; F142-P185 HydrophobicContact CG-CB 4.33Å; F142-P185 HydrophobicContact CG-CG 3.75Å; F142-L189 HydrophobicContact CD2-CD2 3.75Å; F142-L189 HydrophobicContact CE2-CD2 4.3Å
143Y91.3Very high93.1Very high45 Ų4529.5 Ų29.518%0.17614%0.139CC..Hα-helixtrans-76.6-31.2-171.8-75.5-61.9000114P32 R33 T139 V140 P185P32-Y143 HydrophobicContact CB-CE2 4.09Å; P32-Y143 HydrophobicContact CG-CE2 4.38Å; P32-Y143 WeakPolarHBondContact CG-OH 3.46Å; R33-Y143 HydrophobicContact CB-CD1 3.7Å; R33-Y143 HydrophobicContact CB-CD2 3.97Å; R33-Y143 HydrophobicContact CB-CE1 3.91Å; R33-Y143 HydrophobicContact CB-CE2 4.19Å; R33-Y143 HydrophobicContact CB-CG 3.75Å; R33-Y143 HydrophobicContact CG-CD1 3.86Å; R33-Y143 HydrophobicContact CG-CD2 4.31Å; R33-Y143 HydrophobicContact CG-CG 3.74Å; T139-Y143 HydrophobicContact CG2-CD2 3.58Å; T139-Y143 HydrophobicContact CG2-CE2 3.45Å; T139-Y143 VanDerWaalsContact CG2-CE2 3.45Å; T139-Y143 VanDerWaalsContact O-CD2 3.32Å; T139-Y143 WeakPolarHBondContact O-CD2 3.5Å; T139-Y143 PolarHBondContact O-N 2.82Å; V140-Y143 PolarHBondContact O-N 3.49Å; Y143-P185 HydrophobicContact CE2-CG 3.95Å
144H91.2Very high93.4Very high16 Ų1630.2 Ų30.27%0.07414%0.143CC..Hα-helixtrans-94.10.9177.5-65.3-87.2000112.8V140 C146 R217 W221V140-H144 VanDerWaalsContact O-CB 3.31Å; V140-H144 WeakPolarHBondContact O-CB 3.22Å; V140-H144 PolarHBondContact O-CD2 2.64Å; V140-H144 PolarHBondContact O-N 3.39Å; H144-C146 PolarHBondContact O-N 2.88Å; H144-R217 HydrophobicContact CB-CB 4.45Å; H144-R217 WeakPolarHBondContact O-CD 3.47Å; H144-R217 PolarHBondContact O-NH1 3.42Å; H144-W221 AromaticContact CE1-CD1 3.79Å; H144-W221 AromaticContact CE1-CD2 3.69Å; H144-W221 AromaticContact CE1-CG 3.44Å; H144-W221 VanDerWaalsContact CE1-CG 3.44Å
145K93.8Very high93.5Very high135 Ų13529.3 Ų29.359%0.58714%0.137SC*.THydrogen-bonded Turntrans50.942.4177.5-62.5-176.9178.9-176.80112.8Q141 F142 H210 R217Q141-K145 WeakPolarHBondContact O-CA 3.43Å; Q141-K145 PolarHBondContact O-N 3.25Å; F142-K145 PolarHBondContact O-N 3.3Å; K145-H210 VanDerWaalsContact O-CB 3.29Å; K145-H210 WeakPolarHBondContact O-CB 3.04Å; K145-H210 VanDerWaalsContact O-CG 3.22Å; K145-H210 PolarHBondContact O-ND1 3.3Å; K145-R217 PolarHBondContact O-NH1 2.88Å
146C95.2Very high93.7Very high0 Ų030.6 Ų30.60%014%0.143CC..  trans-122.3167.1-173.359.80000110.5Q141 H144 Q212 C214Q141-C146 WeakPolarHBondContact CA-O 3.27Å; Q141-C146 VanDerWaalsContact CB-O 3.31Å; Q141-C146 WeakPolarHBondContact CB-O 3.45Å; Q141-C146 WeakPolarHBondContact CG-O 3.38Å; Q141-C146 PolarHBondContact O-N 3.42Å; H144-C146 PolarHBondContact O-N 2.88Å; C146-Q212 CarbonylContact C-O 3.34Å; C146-Q212 WeakPolarHBondContact CA-O 3.18Å; C146-Q212 WeakPolarHBondContact CB-O 3.42Å; C146-C214 VanDerWaalsContact C-SG 3.54Å; C146-C214 HydrophobicContact CB-CB 3.9Å; C146-C214 WeakPolarHBondContact CB-SG 3.21Å; C146-C214 WeakPolarHBondContact SG-CA 3.35Å; C146-C214 WeakPolarHBondContact SG-CB 3.36Å; C146-C214 CovalentContact SG-SG 2.03Å; C146-C214 PolarHBondContact SG-SG 3.12Å
147C96.2Very high93.8Very high0 Ų035.8 Ų35.80%017%0.171CC..  trans-142.6134.9176.1-177.90000111N151 C176 H210 Q212C147-N151 CarbonylContact O-C 3.56Å; C147-N151 WeakPolarHBondContact O-CA 3.32Å; C147-C176 VanDerWaalsContact CA-SG 3.54Å; C147-C176 HydrophobicContact CB-CB 3.72Å; C147-C176 WeakPolarHBondContact CB-SG 3.35Å; C147-C176 WeakPolarHBondContact SG-CB 3.24Å; C147-C176 CovalentContact SG-SG 2.03Å; C147-C176 PolarHBondContact SG-SG 3.09Å; C147-H210 HydrophobicContact CB-CB 4.14Å; C147-H210 WeakPolarHBondContact CB-O 3.17Å; C147-Q212 PolarHBondContact N-O 3.3Å
148G95.3Very high94Very high0 Ų035.8 Ų35.80%017%0.171CC..SBendtrans62.9-170.5-174.300000113.4F119 Q141 C214F119-G148 WeakPolarHBondContact CE1-O 3.33Å; Q141-G148 VanDerWaalsContact NE2-N 3.13Å; G148-C214 WeakPolarHBondContact O-CB 3.4Å; G148-C214 PolarHBondContact O-N 3.33Å; G148-C214 PolarHBondContact O-SG 2.75Å; G148-C214 VanDerWaalsContact O-SG 3.36Å
149S94.6Very high94Very high0 Ų039.5 Ų39.50%018%0.184CC..SBendtrans-76.6-57.4174.9-162.90000110.7Y120 D154 G213 C214 Q215Y120-S149 PolarHBondContact N-OG 3.08Å; Y120-S149 VanDerWaalsContact N-OG 3.14Å; S149-D154 VanDerWaalsContact CA-OD2 3.3Å; S149-D154 WeakPolarHBondContact CA-OD2 3.49Å; S149-D154 VanDerWaalsContact CB-OD2 3.3Å; S149-D154 WeakPolarHBondContact CB-OD2 3.4Å; S149-D154 PolarHBondContact N-OD2 3.18Å; S149-G213 CarbonylContact O-C 3.53Å; S149-G213 VanDerWaalsContact O-C 3.25Å; S149-G213 WeakPolarHBondContact O-CA 3.45Å; S149-C214 PolarHBondContact O-N 3.4Å; S149-Q215 WeakPolarHBondContact O-CB 3.4Å; S149-Q215 PolarHBondContact O-N 2.99Å; S149-Q215 PolarHBondContact OG-OE1 3.15Å
150N94.3Very high94.2Very high96 Ų9640 Ų4051%0.51319%0.185SC..SBendtrans-103.8-39.4177.6-63.3-51.5000111.1D154 G213N150-D154 PolarHBondContact N-OD2 2.94Å; N150-G213 VanDerWaalsContact C-CA 3.44Å; N150-G213 WeakPolarHBondContact O-CA 3.31Å; N150-G213 PolarHBondContact O-N 2.93Å
151N94.4Very high94.3Very high59 Ų5940.4 Ų40.432%0.31619%0.187SC..SBendtrans-165.5177.6176.860.976.4000111.4C147 R153 D154C147-N151 CarbonylContact O-C 3.56Å; C147-N151 WeakPolarHBondContact O-CA 3.32Å; N151-R153 PolarHBondContact O-N 3.21Å; N151-R153 VanDerWaalsContact O-N 3.13Å; N151-R153 WeakPolarHBondContact OD1-CA 3.35Å; N151-R153 WeakPolarHBondContact OD1-CB 3.3Å; N151-R153 WeakPolarHBondContact OD1-CG 3.47Å; N151-R153 PolarHBondContact OD1-N 3.18Å; N151-D154 PolarHBondContact N-OD2 3.04Å; N151-D154 WeakPolarHBondContact O-CB 3.24Å; N151-D154 VanDerWaalsContact O-CG 3.29Å; N151-D154 PolarHBondContact O-N 2.75Å; N151-D154 VanDerWaalsContact O-N 3.13Å; N151-D154 VanDerWaalsContact O-OD2 3.12Å
152S95Very high94.2Very high8 Ų845.7 Ų45.76%0.05621%0.214CC..G310 helixtrans-57.6-25.6-179.355.80000115D154 Y155 Y201 Q204S152-D154 PolarHBondContact O-N 3.23Å; S152-Y155 PolarHBondContact O-N 2.85Å; S152-Y201 VanDerWaalsContact O-CE1 3.25Å; S152-Y201 WeakPolarHBondContact O-CE1 3.43Å; S152-Q204 VanDerWaalsContact CB-OE1 3.3Å; S152-Q204 PolarHBondContact OG-OE1 2.89Å
153R95Very high94.2Very high119 Ų11946.9 Ų46.945%0.44922%0.224SC..G310 helixtrans-68.3-11.9178.7-57.5179.9-178.6-126.1-2.7113.3N151 Y155 L156 Y201 D202N151-R153 PolarHBondContact O-N 3.21Å; N151-R153 VanDerWaalsContact O-N 3.13Å; N151-R153 WeakPolarHBondContact OD1-CA 3.35Å; N151-R153 WeakPolarHBondContact OD1-CB 3.3Å; N151-R153 WeakPolarHBondContact OD1-CG 3.47Å; N151-R153 PolarHBondContact OD1-N 3.18Å; R153-Y155 PolarHBondContact O-N 3.37Å; R153-Y155 VanDerWaalsContact O-N 3.15Å; R153-L156 WeakPolarHBondContact O-CA 3.31Å; R153-L156 WeakPolarHBondContact O-CB 3.32Å; R153-L156 PolarHBondContact O-N 2.87Å; R153-Y201 HydrophobicContact CG-CD1 4.06Å; R153-Y201 HydrophobicContact CG-CD2 4.46Å; R153-Y201 HydrophobicContact CG-CG 3.92Å; R153-D202 IonicContact CZ-OD1 3.61Å; R153-D202 IonicContact NH1-OD1 2.89Å; R153-D202 IonicContact NH2-OD1 3.66Å; R153-D202 PolarHBondContact NH2-OD1 3.11Å
154D95.2Very high94.1Very high16 Ų1649.6 Ų49.69%0.08624%0.238CC..G310 helixtrans-64-18.2176.1-63.3-30000112.5Y120 V123 H124 S149 N150 N151 S152 L156Y120-D154 HydrophobicContact CD2-CB 4.32Å; Y120-D154 HydrophobicContact CE2-CB 4.26Å; V123-D154 HydrophobicContact CG1-CB 4.09Å; H124-D154 PolarHBondContact ND1-O 3.02Å; S149-D154 VanDerWaalsContact CA-OD2 3.3Å; S149-D154 WeakPolarHBondContact CA-OD2 3.49Å; S149-D154 VanDerWaalsContact CB-OD2 3.3Å; S149-D154 WeakPolarHBondContact CB-OD2 3.4Å; S149-D154 PolarHBondContact N-OD2 3.18Å; N150-D154 PolarHBondContact N-OD2 2.94Å; N151-D154 PolarHBondContact N-OD2 3.04Å; N151-D154 WeakPolarHBondContact O-CB 3.24Å; N151-D154 VanDerWaalsContact O-CG 3.29Å; N151-D154 PolarHBondContact O-N 2.75Å; N151-D154 VanDerWaalsContact O-N 3.13Å; N151-D154 VanDerWaalsContact O-OD2 3.12Å; S152-D154 PolarHBondContact O-N 3.23Å; D154-L156 VanDerWaalsContact C-N 3.3Å
155Y95.5Very high93.9Very high0 Ų049 Ų490%024%0.236CC..G310 helixtrans-75.2-16.6170-73.3-74.2000113.7V123 Y127 V137 Q141 S152 R153 L157 S158 W160 Q161 V172 P173 C176V123-Y155 HydrophobicContact CG1-CD1 4.06Å; V123-Y155 HydrophobicContact CG1-CD2 4.36Å; V123-Y155 HydrophobicContact CG1-CE1 3.73Å; V123-Y155 HydrophobicContact CG1-CE2 4.05Å; V123-Y155 HydrophobicContact CG1-CG 4.36Å; Y127-Y155 HydrophobicContact CD1-CD1 4.42Å; Y127-Y155 AromaticContact CD1-CE1 3.58Å; Y127-Y155 HydrophobicContact CD1-CE1 3.58Å; Y127-Y155 AromaticContact CE1-CE1 3.8Å; Y127-Y155 HydrophobicContact CE1-CE1 3.8Å; Y127-Y155 HydrophobicContact CG-CE1 4.21Å; V137-Y155 WeakPolarHBondContact CG1-OH 3.45Å; Q141-Y155 PolarHBondContact NE2-OH 3.16Å; Q141-Y155 PolarHBondContact OE1-OH 3.08Å; S152-Y155 PolarHBondContact O-N 2.85Å; R153-Y155 PolarHBondContact O-N 3.37Å; R153-Y155 VanDerWaalsContact O-N 3.15Å; Y155-L157 PolarHBondContact O-N 3.22Å; Y155-S158 VanDerWaalsContact O-CB 3.25Å; Y155-S158 WeakPolarHBondContact O-CB 3.19Å; Y155-S158 PolarHBondContact O-N 2.94Å; Y155-S158 PolarHBondContact O-OG 2.84Å; Y155-W160 AromaticContact CD1-CE3 3.91Å; Y155-W160 HydrophobicContact CD1-CE3 3.91Å; Y155-W160 HydrophobicContact CD1-CZ3 4.46Å; Y155-Q161 VanDerWaalsContact O-CB 3.3Å; Y155-Q161 WeakPolarHBondContact O-CB 3.46Å; Y155-Q161 PolarHBondContact O-OE1 3.36Å; Y155-Q161 VanDerWaalsContact O-OE1 3.1Å; Y155-V172 HydrophobicContact CD2-CG1 4.28Å; Y155-P173 HydrophobicContact CD1-CG 4.33Å; Y155-P173 VanDerWaalsContact CE1-CD 3.49Å; Y155-P173 HydrophobicContact CE1-CG 3.61Å; Y155-P173 VanDerWaalsContact CE2-CD 3.48Å; Y155-P173 HydrophobicContact CE2-CG 3.84Å; Y155-P173 WeakPolarHBondContact OH-CG 3.3Å; Y155-C176 VanDerWaalsContact CE2-SG 3.54Å
156L93.8Very high93.3Very high73 Ų7346.9 Ų46.938%0.38224%0.236SC..THydrogen-bonded Turntrans-58.6120177.3-177.958.7000109.7H124 R153 D154 S158 Y201H124-L156 PolarHBondContact CE1-O 3Å; R153-L156 WeakPolarHBondContact O-CA 3.31Å; R153-L156 WeakPolarHBondContact O-CB 3.32Å; R153-L156 PolarHBondContact O-N 2.87Å; D154-L156 VanDerWaalsContact C-N 3.3Å; L156-S158 PolarHBondContact O-N 3.03Å; L156-S158 VanDerWaalsContact O-N 3.14Å; L156-Y201 WeakPolarHBondContact CA-OH 3.21Å; L156-Y201 HydrophobicContact CB-CE2 3.99Å; L156-Y201 HydrophobicContact CD1-CE2 4.08Å; L156-Y201 HydrophobicContact CG-CE2 4.44Å; L156-Y201 PolarHBondContact N-OH 3.32Å
157L92.9Very high92.5Very high118 Ų11850.5 Ų50.562%0.61827%0.273SS*.THydrogen-bonded Turntrans61.115.1-177-53.7170.1000114.4Y155 I162Y155-L157 PolarHBondContact O-N 3.22Å; L157-I162 WeakPolarHBondContact O-CD1 3.4Å
158S94.8Very high91.6Very high0 Ų055.5 Ų55.50%030%0.298CS..  trans-64.4158.9170.865.20000111.3H124 Y155 L156 W160 Q161 I162H124-S158 WeakPolarHBondContact O-CA 3.26Å; Y155-S158 VanDerWaalsContact O-CB 3.25Å; Y155-S158 WeakPolarHBondContact O-CB 3.19Å; Y155-S158 PolarHBondContact O-N 2.94Å; Y155-S158 PolarHBondContact O-OG 2.84Å; L156-S158 PolarHBondContact O-N 3.03Å; L156-S158 VanDerWaalsContact O-N 3.14Å; S158-W160 PolarHBondContact O-N 3.32Å; S158-Q161 PolarHBondContact O-N 3.06Å; S158-Q161 VanDerWaalsContact O-N 3.15Å; S158-Q161 PolarHBondContact OG-N 2.88Å; S158-I162 WeakPolarHBondContact O-CG1 3.21Å; S158-I162 PolarHBondContact O-N 3Å; S158-I162 VanDerWaalsContact O-N 3.13Å
159Y95.1Very high91.2Very high91 Ų9160.5 Ų60.536%0.35732%0.323SS..Hα-helixtrans-51-47.8174.4178-89.3000111.5H124 R129 Q161 I162 T163H124-Y159 PolarHBondContact O-N 3.1Å; R129-Y159 VanDerWaalsContact CA-CE1 3.43Å; R129-Y159 HydrophobicContact CB-CD1 3.57Å; R129-Y159 HydrophobicContact CB-CE1 3.49Å; R129-Y159 VanDerWaalsContact CB-CE1 3.49Å; R129-Y159 HydrophobicContact CB-CE2 4.44Å; R129-Y159 HydrophobicContact CB-CG 4.09Å; R129-Y159 HydrophobicContact CG-CD1 4.29Å; R129-Y159 HydrophobicContact CG-CE1 3.9Å; R129-Y159 HydrophobicContact CG-CE2 4.15Å; Y159-Q161 PolarHBondContact O-N 3.18Å; Y159-I162 PolarHBondContact O-N 2.85Å; Y159-T163 HydrophobicContact CD1-CG2 4.48Å; Y159-T163 HydrophobicContact CD2-CG2 4.35Å; Y159-T163 HydrophobicContact CE1-CG2 4.1Å; Y159-T163 HydrophobicContact CE2-CG2 3.96Å; Y159-T163 WeakPolarHBondContact O-CB 3.38Å; Y159-T163 WeakPolarHBondContact O-CG2 3.26Å; Y159-T163 PolarHBondContact O-N 3.2Å; Y159-T163 VanDerWaalsContact O-N 3.08Å; Y159-T163 PolarHBondContact O-OG1 2.88Å
160W95.4Very high91.1Very high25 Ų2563.4 Ų63.410%0.09534%0.337CS..Hα-helixtrans-59.8-46.2178.8174.186.4000112.6Y127 Y155 S158 I162 T163 H164 H170 V172 P173Y127-W160 HydrophobicContact CD1-CB 3.5Å; Y127-W160 AromaticContact CD1-CD1 3.83Å; Y127-W160 HydrophobicContact CD1-CD2 4.26Å; Y127-W160 AromaticContact CD1-CG 3.56Å; Y127-W160 HydrophobicContact CD1-CG 3.56Å; Y127-W160 HydrophobicContact CE1-CB 4.04Å; Y127-W160 AromaticContact CE1-CD1 3.5Å; Y127-W160 AromaticContact CE1-CD2 3.93Å; Y127-W160 HydrophobicContact CE1-CD2 3.93Å; Y127-W160 AromaticContact CE1-CG 3.54Å; Y127-W160 HydrophobicContact CE1-CG 3.54Å; Y127-W160 AromaticContact CE1-NE1 3.85Å; Y155-W160 AromaticContact CD1-CE3 3.91Å; Y155-W160 HydrophobicContact CD1-CE3 3.91Å; Y155-W160 HydrophobicContact CD1-CZ3 4.46Å; S158-W160 PolarHBondContact O-N 3.32Å; W160-I162 VanDerWaalsContact C-N 3.34Å; W160-I162 PolarHBondContact O-N 3.39Å; W160-T163 PolarHBondContact O-N 2.91Å; W160-H164 AromaticContact CD1-CG 3.82Å; W160-H164 AromaticContact CD1-ND1 3.98Å; W160-H164 HydrophobicContact CG-CB 4.32Å; W160-H164 WeakPolarHBondContact O-CA 3.38Å; W160-H164 VanDerWaalsContact O-CB 3.3Å; W160-H164 WeakPolarHBondContact O-CB 3.46Å; W160-H164 PolarHBondContact O-N 3.48Å; W160-H170 HydrophobicContact CH2-CB 4.01Å; W160-V172 VanDerWaalsContact CH2-O 3.31Å; W160-V172 WeakPolarHBondContact CH2-O 3.24Å; W160-P173 HydrophobicContact CH2-CB 4.32Å; W160-P173 HydrophobicContact CZ2-CB 3.99Å
161Q93.9Very high91.1Very high8 Ų860.4 Ų60.44%0.03732%0.32CS..Hα-helixtrans-64.3-41.3-178.1-177.9160.867.200111.9Y155 S158 Y159 T163 S165 H170 Y201Y155-Q161 VanDerWaalsContact O-CB 3.3Å; Y155-Q161 WeakPolarHBondContact O-CB 3.46Å; Y155-Q161 PolarHBondContact O-OE1 3.36Å; Y155-Q161 VanDerWaalsContact O-OE1 3.1Å; S158-Q161 PolarHBondContact O-N 3.06Å; S158-Q161 VanDerWaalsContact O-N 3.15Å; S158-Q161 PolarHBondContact OG-N 2.88Å; Y159-Q161 PolarHBondContact O-N 3.18Å; Q161-T163 VanDerWaalsContact C-N 3.34Å; Q161-T163 PolarHBondContact O-N 3.48Å; Q161-S165 CarbonylContact O-C 3.31Å; Q161-S165 VanDerWaalsContact O-C 3.31Å; Q161-S165 WeakPolarHBondContact O-CA 3.36Å; Q161-S165 WeakPolarHBondContact O-CB 3.39Å; Q161-S165 PolarHBondContact O-N 3.24Å; Q161-H170 PolarHBondContact NE2-O 2.95Å; Q161-Y201 PolarHBondContact NE2-OH 3.37Å; Q161-Y201 VanDerWaalsContact NE2-OH 3.14Å; Q161-Y201 PolarHBondContact OE1-OH 2.96Å
162I92.6Very high91.1Very high111 Ų11157.6 Ų57.657%0.56931%0.305SS*.Hα-helixtrans-65.5-38.8179.6-65.1168.7000111.3L157 S158 Y159 W160L157-I162 WeakPolarHBondContact O-CD1 3.4Å; S158-I162 WeakPolarHBondContact O-CG1 3.21Å; S158-I162 PolarHBondContact O-N 3Å; S158-I162 VanDerWaalsContact O-N 3.13Å; Y159-I162 PolarHBondContact O-N 2.85Å; W160-I162 VanDerWaalsContact C-N 3.34Å; W160-I162 PolarHBondContact O-N 3.39Å
163T92.6Very high91.1Very high64 Ų6457.3 Ų57.339%0.39330%0.303SS..Hα-helixtrans-96.2-34.5-170.552.80000114.3Y159 W160 Q161Y159-T163 HydrophobicContact CD1-CG2 4.48Å; Y159-T163 HydrophobicContact CD2-CG2 4.35Å; Y159-T163 HydrophobicContact CE1-CG2 4.1Å; Y159-T163 HydrophobicContact CE2-CG2 3.96Å; Y159-T163 WeakPolarHBondContact O-CB 3.38Å; Y159-T163 WeakPolarHBondContact O-CG2 3.26Å; Y159-T163 PolarHBondContact O-N 3.2Å; Y159-T163 VanDerWaalsContact O-N 3.08Å; Y159-T163 PolarHBondContact O-OG1 2.88Å; W160-T163 PolarHBondContact O-N 2.91Å; Q161-T163 VanDerWaalsContact C-N 3.34Å; Q161-T163 PolarHBondContact O-N 3.48Å
164H89Confident91.2Very high103 Ų10354.2 Ų54.248%0.47729%0.294SS..Hα-helixtrans-109.6-11.1-173-63.774000113.4G128 W160 P166G128-H164 PolarHBondContact O-CE1 2.9Å; W160-H164 AromaticContact CD1-CG 3.82Å; W160-H164 AromaticContact CD1-ND1 3.98Å; W160-H164 HydrophobicContact CG-CB 4.32Å; W160-H164 WeakPolarHBondContact O-CA 3.38Å; W160-H164 VanDerWaalsContact O-CB 3.3Å; W160-H164 WeakPolarHBondContact O-CB 3.46Å; W160-H164 PolarHBondContact O-N 3.48Å; H164-P166 VanDerWaalsContact C-CD 3.43Å
165S88.5Confident91.2Very high3 Ų353.5 Ų53.52%0.02129%0.29CS..SBendtrans-129.858.9177.5-173.40000111.7Q161 G167 M168 H170Q161-S165 CarbonylContact O-C 3.31Å; Q161-S165 VanDerWaalsContact O-C 3.31Å; Q161-S165 WeakPolarHBondContact O-CA 3.36Å; Q161-S165 WeakPolarHBondContact O-CB 3.39Å; Q161-S165 PolarHBondContact O-N 3.24Å; S165-G167 PolarHBondContact O-N 2.82Å; S165-M168 PolarHBondContact O-N 3.23Å; S165-H170 WeakPolarHBondContact CB-O 3.34Å; S165-H170 VanDerWaalsContact OG-CA 3.3Å; S165-H170 WeakPolarHBondContact OG-CA 3.15Å; S165-H170 WeakPolarHBondContact OG-CB 3.02Å; S165-H170 PolarHBondContact OG-N 2.87Å; S165-H170 PolarHBondContact OG-O 3.4Å
166P79.6Confident91.2Very high91 Ų9153.5 Ų53.559%0.59129%0.29SS*.G310 helixtrans-58.5130.7179.626.1-33.8000110.2H164H164-P166 VanDerWaalsContact C-CD 3.43Å
167G78.5Confident91.3Very high76 Ų7650 Ų5078%0.78427%0.272SS*.G310 helixtrans82.39.4-177.600000115.5S165 I169S165-G167 PolarHBondContact O-N 2.82Å; G167-I169 PolarHBondContact O-N 3.48Å
168M77.9Confident91.5Very high105 Ų10545.3 Ų45.352%0.51725%0.248SC..G310 helixtrans57.335-178.6-59.7-176.7-75.100113.1S165 H170 F171S165-M168 PolarHBondContact O-N 3.23Å; M168-H170 VanDerWaalsContact C-N 3.27Å; M168-F171 WeakPolarHBondContact O-CE2 3.29Å
169I86.1Confident91.5Very high104 Ų10446.6 Ų46.653%0.53325%0.254SS..SBendtrans-63.5-40.1174.3-59.8171.6000109.7G167G167-I169 PolarHBondContact O-N 3.48Å
170H92.9Very high91.5Very high61 Ų6148.2 Ų48.228%0.28226%0.26SS..  trans-111.7120.7173.1-58.1-46.7000111W160 Q161 S165 M168 Q197W160-H170 HydrophobicContact CH2-CB 4.01Å; Q161-H170 PolarHBondContact NE2-O 2.95Å; S165-H170 WeakPolarHBondContact CB-O 3.34Å; S165-H170 VanDerWaalsContact OG-CA 3.3Å; S165-H170 WeakPolarHBondContact OG-CA 3.15Å; S165-H170 WeakPolarHBondContact OG-CB 3.02Å; S165-H170 PolarHBondContact OG-N 2.87Å; S165-H170 PolarHBondContact OG-O 3.4Å; M168-H170 VanDerWaalsContact C-N 3.27Å; H170-Q197 CarbonylContact C-O 3.47Å; H170-Q197 WeakPolarHBondContact CA-O 3.33Å; H170-Q197 HydrophobicContact CB-CB 3.97Å; H170-Q197 WeakPolarHBondContact ND1-CB 3.02Å
171F94.1Very high91.3Very high34 Ų3456.4 Ų56.415%0.14930%0.299CS..SBendtrans-82.3-28.2178.4-70.9-91.2000112.5M168 Q197 E198 F199 P200 Y201M168-F171 WeakPolarHBondContact O-CE2 3.29Å; F171-Q197 PolarHBondContact N-O 3.39Å; F171-E198 WeakPolarHBondContact CE2-O 3.4Å; F171-F199 WeakPolarHBondContact CD2-O 3.15Å; F171-F199 WeakPolarHBondContact CG-O 3.46Å; F171-P200 HydrophobicContact CE1-CB 4.06Å; F171-P200 HydrophobicContact CE2-CB 4.26Å; F171-P200 HydrophobicContact CE2-CG 4.04Å; F171-P200 HydrophobicContact CZ-CB 3.86Å; F171-P200 HydrophobicContact CZ-CG 3.94Å; F171-Y201 HydrophobicContact CB-CD1 4.42Å; F171-Y201 HydrophobicContact CB-CE1 4.01Å; F171-Y201 AromaticContact CD1-CD2 3.9Å; F171-Y201 HydrophobicContact CD1-CD2 3.9Å; F171-Y201 HydrophobicContact CD1-CE1 4.46Å; F171-Y201 AromaticContact CD1-CE2 3.77Å; F171-Y201 HydrophobicContact CD1-CE2 3.77Å; F171-Y201 HydrophobicContact CD1-CG 4.33Å; F171-Y201 HydrophobicContact CE1-CD2 4.5Å; F171-Y201 WeakPolarHBondContact O-CE1 3.19Å; F171-Y201 PolarHBondContact O-OH 2.92Å
172V95.3Very high91.2Very high0 Ų063 Ų630%034%0.335CS..SBendtrans-141.4156.8-179.3-64.50000110.5Y155 W160 C176 Q197 Y201 I209Y155-V172 HydrophobicContact CD2-CG1 4.28Å; W160-V172 VanDerWaalsContact CH2-O 3.31Å; W160-V172 WeakPolarHBondContact CH2-O 3.24Å; V172-C176 HydrophobicContact CB-CB 3.89Å; V172-C176 HydrophobicContact CG2-CB 3.97Å; V172-Q197 WeakPolarHBondContact O-CG 3.17Å; V172-Q197 PolarHBondContact O-NE2 2.02Å; V172-Y201 HydrophobicContact CG1-CE1 4.2Å; V172-I209 HydrophobicContact CG2-CD1 4.16Å
173P95.4Very high91.2Very high2 Ų258.2 Ų58.21%0.01331%0.311CS..  trans-68.9161.8170.629.2-35.3000112Y127 Y155 W160 S175 C176Y127-P173 HydrophobicContact CE1-CB 3.77Å; Y127-P173 HydrophobicContact CE1-CG 3.84Å; Y127-P173 WeakPolarHBondContact OH-CB 3.13Å; Y155-P173 HydrophobicContact CD1-CG 4.33Å; Y155-P173 VanDerWaalsContact CE1-CD 3.49Å; Y155-P173 HydrophobicContact CE1-CG 3.61Å; Y155-P173 VanDerWaalsContact CE2-CD 3.48Å; Y155-P173 HydrophobicContact CE2-CG 3.84Å; Y155-P173 WeakPolarHBondContact OH-CG 3.3Å; W160-P173 HydrophobicContact CH2-CB 4.32Å; W160-P173 HydrophobicContact CZ2-CB 3.99Å; P173-S175 PolarHBondContact O-N 3Å; P173-C176 WeakPolarHBondContact O-CB 3.39Å; P173-C176 PolarHBondContact O-N 3.04Å; P173-C176 VanDerWaalsContact O-N 3.11Å
174I95.1Very high91Very high54 Ų5460.8 Ų60.828%0.27731%0.314SS..G310 helixtrans-60.9-27.7-177.5-166.3165.9000112.9C176 C177 Q179 L189 P191I174-C176 VanDerWaalsContact C-N 3.32Å; I174-C176 PolarHBondContact O-N 3.44Å; I174-C177 VanDerWaalsContact O-CB 3.26Å; I174-C177 WeakPolarHBondContact O-CB 3.39Å; I174-C177 PolarHBondContact O-N 3.37Å; I174-C177 VanDerWaalsContact O-N 3.13Å; I174-Q179 PolarHBondContact O-NE2 2.03Å; I174-L189 HydrophobicContact CD1-CB 4.4Å; I174-L189 HydrophobicContact CG1-CB 4.3Å; I174-L189 HydrophobicContact CG2-CB 4.13Å; I174-L189 HydrophobicContact CG2-CD1 3.72Å; I174-P191 HydrophobicContact CD1-CG 4.29Å; I174-P191 HydrophobicContact CG1-CG 4.25Å
175S95.3Very high90.9Very high0 Ų056 Ų560%029%0.293CS..G310 helixtrans-68.2-23.7177.243.80000114.4D138 Q141 P173 C177D138-S175 WeakPolarHBondContact OD1-CB 3.43Å; D138-S175 PolarHBondContact OD1-OG 3.38Å; Q141-S175 PolarHBondContact OE1-OG 2.81Å; P173-S175 PolarHBondContact O-N 3Å; S175-C177 VanDerWaalsContact C-N 3.27Å
176C96.4Very high90.6Very high0 Ų057.4 Ų57.40%030%0.302CS..G310 helixtrans-72.2-21.9170.8-83.60000113.3Q141 C147 Y155 V172 P173 I174 I209 H210Q141-C176 PolarHBondContact NE2-SG 2.72Å; Q141-C176 VanDerWaalsContact NE2-SG 3.42Å; Q141-C176 PolarHBondContact OE1-SG 3.41Å; C147-C176 VanDerWaalsContact CA-SG 3.54Å; C147-C176 HydrophobicContact CB-CB 3.72Å; C147-C176 WeakPolarHBondContact CB-SG 3.35Å; C147-C176 WeakPolarHBondContact SG-CB 3.24Å; C147-C176 CovalentContact SG-SG 2.03Å; C147-C176 PolarHBondContact SG-SG 3.09Å; Y155-C176 VanDerWaalsContact CE2-SG 3.54Å; V172-C176 HydrophobicContact CB-CB 3.89Å; V172-C176 HydrophobicContact CG2-CB 3.97Å; P173-C176 WeakPolarHBondContact O-CB 3.39Å; P173-C176 PolarHBondContact O-N 3.04Å; P173-C176 VanDerWaalsContact O-N 3.11Å; I174-C176 VanDerWaalsContact C-N 3.32Å; I174-C176 PolarHBondContact O-N 3.44Å; C176-I209 HydrophobicContact CB-CG2 4.38Å; C176-H210 PolarHBondContact O-CD2 3.31Å; C176-H210 VanDerWaalsContact O-CD2 3.32Å; C176-H210 PolarHBondContact O-N 2.78Å
177C96.8Very high90.8Very high0 Ų059.8 Ų59.80%031%0.305CS..BIsolated β-bridgetrans-73.2149-179.4-55.80000111I174 S175 Q179 P191 C196 A208I174-C177 VanDerWaalsContact O-CB 3.26Å; I174-C177 WeakPolarHBondContact O-CB 3.39Å; I174-C177 PolarHBondContact O-N 3.37Å; I174-C177 VanDerWaalsContact O-N 3.13Å; S175-C177 VanDerWaalsContact C-N 3.27Å; C177-Q179 WeakPolarHBondContact O-CG 3.47Å; C177-Q179 PolarHBondContact O-N 3.29Å; C177-Q179 PolarHBondContact O-NE2 3.12Å; C177-P191 HydrophobicContact CB-CB 3.82Å; C177-C196 HydrophobicContact CB-CB 3.6Å; C177-C196 WeakPolarHBondContact CB-SG 3.05Å; C177-C196 WeakPolarHBondContact SG-CB 3.35Å; C177-C196 CovalentContact SG-SG 2.02Å; C177-C196 PolarHBondContact SG-SG 3.03Å; C177-A208 CarbonylContact C-O 3.58Å; C177-A208 VanDerWaalsContact CA-O 3.3Å; C177-A208 WeakPolarHBondContact CA-O 3.37Å
178T96.1Very high91.3Very high19 Ų1960.4 Ų60.412%0.11729%0.29CS..PPolyproline II helixtrans-65.1127.5171.353.40000110.2P191 I192 L207 A208T178-P191 CarbonylContact O-C 3.47Å; T178-P191 WeakPolarHBondContact O-CA 3.46Å; T178-I192 PolarHBondContact O-N 3.42Å; T178-L207 VanDerWaalsContact CG2-O 3.3Å; T178-L207 WeakPolarHBondContact CG2-O 3.3Å; T178-L207 PolarHBondContact OG1-O 3.47Å; T178-A208 PolarHBondContact N-O 3.25Å; T178-A208 WeakPolarHBondContact OG1-CA 3.2Å; T178-A208 PolarHBondContact OG1-O 3.06Å
179Q95.6Very high92.1Very high28 Ų2856.3 Ų56.313%0.13127%0.27CS..BIsolated β-bridgetrans-99.6150.6-169.9-58.2-65.7-42.700113.1F142 I174 C177 S183 L189 H190F142-Q179 HydrophobicContact CD2-CB 4.22Å; F142-Q179 HydrophobicContact CD2-CG 3.72Å; F142-Q179 HydrophobicContact CE2-CB 3.78Å; F142-Q179 HydrophobicContact CE2-CG 3.8Å; I174-Q179 PolarHBondContact O-NE2 2.03Å; C177-Q179 WeakPolarHBondContact O-CG 3.47Å; C177-Q179 PolarHBondContact O-N 3.29Å; C177-Q179 PolarHBondContact O-NE2 3.12Å; Q179-S183 PolarHBondContact OE1-OG 3.4Å; Q179-L189 HydrophobicContact CG-CD2 4.46Å; Q179-H190 WeakPolarHBondContact CA-O 2.98Å; Q179-H190 PolarHBondContact OE1-O 3.45Å
180R95.1Very high92.5Very high125 Ų12555.7 Ų55.747%0.47227%0.265SS..PPolyproline II helixtrans-69.1162.6168.7-61.4-178.4-168.3-167.12.5110.8N182 S183 H190 P191 I192 D194R180-N182 PolarHBondContact O-N 3.22Å; R180-S183 WeakPolarHBondContact O-CB 2.94Å; R180-S183 PolarHBondContact O-N 3.46Å; R180-S183 PolarHBondContact O-OG 2.9Å; R180-H190 HydrophobicContact CB-CB 4.39Å; R180-H190 HydrophobicContact CG-CB 4.48Å; R180-H190 WeakPolarHBondContact CG-O 3.22Å; R180-H190 PolarHBondContact N-O 3.38Å; R180-P191 PolarHBondContact NE-O 3.18Å; R180-I192 HydrophobicContact CG-CG1 4.03Å; R180-D194 IonicContact NH2-OD1 3.71Å
181Q90.4Very high92.6Very high197 Ų19753.5 Ų53.592%0.92126%0.256SS*.THydrogen-bonded Turntrans-63.9-25.2-176.5-67.7-176.9-3.900114.2S183Q181-S183 VanDerWaalsContact C-N 3.31Å
182N92.3Very high92.6Very high147 Ų14756.7 Ų56.779%0.78627%0.273SS*.THydrogen-bonded Turntrans-88.63.2-178.2-62.3-8.9000113.4R180R180-N182 PolarHBondContact O-N 3.22Å
183S91.9Very high92.6Very high9 Ų959.2 Ų59.26%0.06329%0.287CS..  trans-75.3142179.9-620000111.3F142 Q179 R180 Q181 N188 H190F142-S183 WeakPolarHBondContact CZ-O 3.26Å; Q179-S183 PolarHBondContact OE1-OG 3.4Å; R180-S183 WeakPolarHBondContact O-CB 2.94Å; R180-S183 PolarHBondContact O-N 3.46Å; R180-S183 PolarHBondContact O-OG 2.9Å; Q181-S183 VanDerWaalsContact C-N 3.31Å; S183-N188 CarbonylContact C-O 3.59Å; S183-N188 WeakPolarHBondContact CA-O 3.3Å; S183-N188 WeakPolarHBondContact CB-O 3.42Å; S183-H190 WeakPolarHBondContact OG-CB 3.38Å; S183-H190 PolarHBondContact OG-N 2.82Å; S183-H190 PolarHBondContact OG-O 2.93Å
184Y88.8Confident92.5Very high118 Ų11865 Ų6546%0.46332%0.318SS..BIsolated β-bridgetrans-143.8116.1175.8-174.7-95.2000110.6P32 N188P32-Y184 HydrophobicContact CB-CE2 4.48Å; P32-Y184 HydrophobicContact CG-CE2 3.92Å; P32-Y184 WeakPolarHBondContact CG-OH 2.98Å; Y184-N188 PolarHBondContact N-O 3.01Å; Y184-N188 CarbonylContact O-C 3.42Å; Y184-N188 WeakPolarHBondContact O-CA 3.44Å; Y184-N188 WeakPolarHBondContact O-CB 3.38Å; Y184-N188 PolarHBondContact O-N 2.97Å
185P87.1Confident92.4Very high4 Ų469.3 Ų69.33%0.02633%0.331CS..THydrogen-bonded Turntrans-71.7160-179.931.6-37.8000112.3T139 F142 Y143 L189T139-P185 HydrophobicContact CG2-CB 4.22Å; T139-P185 HydrophobicContact CG2-CG 3.73Å; F142-P185 HydrophobicContact CB-CB 4.23Å; F142-P185 HydrophobicContact CB-CG 3.95Å; F142-P185 HydrophobicContact CD1-CG 3.69Å; F142-P185 HydrophobicContact CD2-CG 4.43Å; F142-P185 HydrophobicContact CE1-CG 4.34Å; F142-P185 HydrophobicContact CG-CB 4.33Å; F142-P185 HydrophobicContact CG-CG 3.75Å; Y143-P185 HydrophobicContact CE2-CG 3.95Å; P185-L189 HydrophobicContact CB-CD2 4.23Å
186P81.3Confident92.4Very high32 Ų3269.3 Ų69.321%0.20833%0.331CS..THydrogen-bonded Turncis-86.3-16.5-5.131-32.9000113.8N135N135-P186 HydrophobicContact CB-CB 4.21Å; N135-P186 HydrophobicContact CB-CG 4.14Å
187Q83.3Confident92.3Very high140 Ų14070.9 Ų70.965%0.65434%0.338SS*.THydrogen-bonded Turntrans-89.7-25.8-170.2-59.486.52.700115.7
188N90.6Very high92.2Very high90 Ų9074.7 Ų74.748%0.48136%0.356SS..BIsolated β-bridgetrans-111.667.9-172-65.3-34.4000111.4S183 Y184S183-N188 CarbonylContact C-O 3.59Å; S183-N188 WeakPolarHBondContact CA-O 3.3Å; S183-N188 WeakPolarHBondContact CB-O 3.42Å; Y184-N188 PolarHBondContact N-O 3.01Å; Y184-N188 CarbonylContact O-C 3.42Å; Y184-N188 WeakPolarHBondContact O-CA 3.44Å; Y184-N188 WeakPolarHBondContact O-CB 3.38Å; Y184-N188 PolarHBondContact O-N 2.97Å
189L93.8Very high92.1Very high18 Ų1876 Ų769%0.09436%0.36CS..  trans-98.3123177-64.4175.8000110.3F142 I174 Q179 P185F142-L189 HydrophobicContact CD2-CD2 3.75Å; F142-L189 HydrophobicContact CE2-CD2 4.3Å; I174-L189 HydrophobicContact CD1-CB 4.4Å; I174-L189 HydrophobicContact CG1-CB 4.3Å; I174-L189 HydrophobicContact CG2-CB 4.13Å; I174-L189 HydrophobicContact CG2-CD1 3.72Å; Q179-L189 HydrophobicContact CG-CD2 4.46Å; P185-L189 HydrophobicContact CB-CD2 4.23Å
190H94.3Very high91.9Very high92 Ų9277.2 Ų77.243%0.42637%0.37SS..  trans-124.8100.4177.9-56.9-66.4000109.4Q179 R180 S183Q179-H190 WeakPolarHBondContact CA-O 2.98Å; Q179-H190 PolarHBondContact OE1-O 3.45Å; R180-H190 HydrophobicContact CB-CB 4.39Å; R180-H190 HydrophobicContact CG-CB 4.48Å; R180-H190 WeakPolarHBondContact CG-O 3.22Å; R180-H190 PolarHBondContact N-O 3.38Å; S183-H190 WeakPolarHBondContact OG-CB 3.38Å; S183-H190 PolarHBondContact OG-N 2.82Å; S183-H190 PolarHBondContact OG-O 2.93Å
191P95.7Very high91.8Very high14 Ų1472.6 Ų72.69%0.09135%0.353CS..BIsolated β-bridgetrans-65.3152.3177.328.5-35000111I174 C177 T178 R180 D193I174-P191 HydrophobicContact CD1-CG 4.29Å; I174-P191 HydrophobicContact CG1-CG 4.25Å; C177-P191 HydrophobicContact CB-CB 3.82Å; T178-P191 CarbonylContact O-C 3.47Å; T178-P191 WeakPolarHBondContact O-CA 3.46Å; R180-P191 PolarHBondContact NE-O 3.18Å; P191-D193 WeakPolarHBondContact CB-O 3.41Å
192I95Very high91.8Very high101 Ų10169.5 Ų69.552%0.51834%0.343SS..SBendtrans-69.6-43.5171.9-66.2173.2000109.5T178 R180T178-I192 PolarHBondContact O-N 3.42Å; R180-I192 HydrophobicContact CG-CG1 4.03Å
193D94.8Very high91.8Very high53 Ų5370.3 Ų70.328%0.28334%0.339SS..SBendtrans-104.4111.7174.8-173.9-20.7000109.2P191 R195 C196 F199 A208P191-D193 WeakPolarHBondContact CB-O 3.41Å; D193-R195 PolarHBondContact O-N 3.2Å; D193-R195 VanDerWaalsContact O-N 3.11Å; D193-R195 WeakPolarHBondContact OD1-CB 3.29Å; D193-R195 PolarHBondContact OD1-N 3.2Å; D193-C196 HydrophobicContact CB-CB 4.39Å; D193-C196 WeakPolarHBondContact O-CB 3.31Å; D193-C196 PolarHBondContact O-N 3.32Å; D193-C196 PolarHBondContact O-SG 3.21Å; D193-C196 VanDerWaalsContact O-SG 3.39Å; D193-F199 WeakPolarHBondContact OD2-CE2 3.2Å; D193-A208 HydrophobicContact CB-CB 3.96Å
194D92.5Very high91.9Very high124 Ų12470.7 Ų70.766%0.66334%0.34SS*.THydrogen-bonded Turntrans-63.1-17.8-178.1-61.1-33.7000112.5R180R180-D194 IonicContact NH2-OD1 3.71Å
195R93.7Very high92.1Very high145 Ų14567 Ų6755%0.54733%0.33SS..THydrogen-bonded Turntrans-98.69178.1-57.8-175.464.1-157.1-6.2113.3D193 Q197 E198D193-R195 PolarHBondContact O-N 3.2Å; D193-R195 VanDerWaalsContact O-N 3.11Å; D193-R195 WeakPolarHBondContact OD1-CB 3.29Å; D193-R195 PolarHBondContact OD1-N 3.2Å; R195-Q197 PolarHBondContact O-N 2.9Å; R195-E198 IonicContact CZ-OE2 3.71Å; R195-E198 IonicContact NE-OE2 3.77Å; R195-E198 PolarHBondContact NE-OE2 3.11Å; R195-E198 IonicContact NH2-OE2 2.83Å; R195-E198 PolarHBondContact NH2-OE2 2.84Å; R195-E198 WeakPolarHBondContact O-CB 3.13Å; R195-E198 PolarHBondContact O-N 2.79Å
196C94.7Very high92.2Very high0 Ų071.6 Ų71.60%036%0.36CS..G310 helixtrans-52.5-33.4-175.465.20000113.7C177 D193 E198 A208 I209C177-C196 HydrophobicContact CB-CB 3.6Å; C177-C196 WeakPolarHBondContact CB-SG 3.05Å; C177-C196 WeakPolarHBondContact SG-CB 3.35Å; C177-C196 CovalentContact SG-SG 2.02Å; C177-C196 PolarHBondContact SG-SG 3.03Å; D193-C196 HydrophobicContact CB-CB 4.39Å; D193-C196 WeakPolarHBondContact O-CB 3.31Å; D193-C196 PolarHBondContact O-N 3.32Å; D193-C196 PolarHBondContact O-SG 3.21Å; D193-C196 VanDerWaalsContact O-SG 3.39Å; C196-E198 VanDerWaalsContact C-N 3.34Å; C196-A208 HydrophobicContact CB-CB 4.32Å; C196-I209 HydrophobicContact CB-CG1 4.41Å; C196-I209 WeakPolarHBondContact O-CD1 3.13Å
197Q95Very high92.8Very high33 Ų3377.4 Ų77.415%0.15439%0.389CS..G310 helixtrans-77.3-18.8-178.5-59.7-175.1-9200113.3H170 F171 V172 R195H170-Q197 CarbonylContact C-O 3.47Å; H170-Q197 WeakPolarHBondContact CA-O 3.33Å; H170-Q197 HydrophobicContact CB-CB 3.97Å; H170-Q197 WeakPolarHBondContact ND1-CB 3.02Å; F171-Q197 PolarHBondContact N-O 3.39Å; V172-Q197 WeakPolarHBondContact O-CG 3.17Å; V172-Q197 PolarHBondContact O-NE2 2.02Å; R195-Q197 PolarHBondContact O-N 2.9Å
198E93.9Very high93.3Very high79 Ų7970.9 Ų70.937%0.36936%0.359SS..G310 helixtrans-84.9-11.8-175.1-61.5175.1-168.800113.1F171 R195 C196 P200F171-E198 WeakPolarHBondContact CE2-O 3.4Å; R195-E198 IonicContact CZ-OE2 3.71Å; R195-E198 IonicContact NE-OE2 3.77Å; R195-E198 PolarHBondContact NE-OE2 3.11Å; R195-E198 IonicContact NH2-OE2 2.83Å; R195-E198 PolarHBondContact NH2-OE2 2.84Å; R195-E198 WeakPolarHBondContact O-CB 3.13Å; R195-E198 PolarHBondContact O-N 2.79Å; C196-E198 VanDerWaalsContact C-N 3.34Å; E198-P200 VanDerWaalsContact O-CD 3.3Å; E198-P200 WeakPolarHBondContact O-CD 3.15Å
199F94Very high93.5Very high46 Ų4666.6 Ų66.620%0.20234%0.336CS..SBendtrans-73.4120.7-177.7-66-66.4000111.4F171 D193 Q204 P205 A208 I209F171-F199 WeakPolarHBondContact CD2-O 3.15Å; F171-F199 WeakPolarHBondContact CG-O 3.46Å; D193-F199 WeakPolarHBondContact OD2-CE2 3.2Å; F199-Q204 HydrophobicContact CB-CG 4.12Å; F199-Q204 PolarHBondContact O-NE2 3.43Å; F199-P205 HydrophobicContact CD1-CG 4.34Å; F199-P205 HydrophobicContact CD2-CG 3.9Å; F199-P205 HydrophobicContact CE1-CG 4.18Å; F199-P205 HydrophobicContact CE2-CG 3.72Å; F199-P205 HydrophobicContact CG-CG 4.21Å; F199-P205 HydrophobicContact CZ-CG 3.88Å; F199-A208 HydrophobicContact CE2-CB 4.17Å; F199-I209 HydrophobicContact CB-CD1 4.34Å
200P92.8Very high93.6Very high54 Ų5466.9 Ų66.935%0.35134%0.337SS..  trans-58.4148.3173.9-21.832.8000111.3F171 E198 D202 K203 Q204F171-P200 HydrophobicContact CE1-CB 4.06Å; F171-P200 HydrophobicContact CE2-CB 4.26Å; F171-P200 HydrophobicContact CE2-CG 4.04Å; F171-P200 HydrophobicContact CZ-CB 3.86Å; F171-P200 HydrophobicContact CZ-CG 3.94Å; E198-P200 VanDerWaalsContact O-CD 3.3Å; E198-P200 WeakPolarHBondContact O-CD 3.15Å; P200-D202 PolarHBondContact O-N 3.13Å; P200-K203 CarbonylContact O-C 3.54Å; P200-K203 PolarHBondContact O-N 2.62Å; P200-Q204 VanDerWaalsContact O-CG 3.29Å; P200-Q204 WeakPolarHBondContact O-CG 3.33Å; P200-Q204 PolarHBondContact O-N 3.05Å
201Y92.2Very high93.4Very high29 Ų2966.9 Ų66.911%0.11434%0.337CS..G310 helixtrans-51.2-35-174.6-59.6-63.4000114.5S152 R153 L156 Q161 F171 V172 K203S152-Y201 VanDerWaalsContact O-CE1 3.25Å; S152-Y201 WeakPolarHBondContact O-CE1 3.43Å; R153-Y201 HydrophobicContact CG-CD1 4.06Å; R153-Y201 HydrophobicContact CG-CD2 4.46Å; R153-Y201 HydrophobicContact CG-CG 3.92Å; L156-Y201 WeakPolarHBondContact CA-OH 3.21Å; L156-Y201 HydrophobicContact CB-CE2 3.99Å; L156-Y201 HydrophobicContact CD1-CE2 4.08Å; L156-Y201 HydrophobicContact CG-CE2 4.44Å; L156-Y201 PolarHBondContact N-OH 3.32Å; Q161-Y201 PolarHBondContact NE2-OH 3.37Å; Q161-Y201 VanDerWaalsContact NE2-OH 3.14Å; Q161-Y201 PolarHBondContact OE1-OH 2.96Å; F171-Y201 HydrophobicContact CB-CD1 4.42Å; F171-Y201 HydrophobicContact CB-CE1 4.01Å; F171-Y201 AromaticContact CD1-CD2 3.9Å; F171-Y201 HydrophobicContact CD1-CD2 3.9Å; F171-Y201 HydrophobicContact CD1-CE1 4.46Å; F171-Y201 AromaticContact CD1-CE2 3.77Å; F171-Y201 HydrophobicContact CD1-CE2 3.77Å; F171-Y201 HydrophobicContact CD1-CG 4.33Å; F171-Y201 HydrophobicContact CE1-CD2 4.5Å; F171-Y201 WeakPolarHBondContact O-CE1 3.19Å; F171-Y201 PolarHBondContact O-OH 2.92Å; V172-Y201 HydrophobicContact CG1-CE1 4.2Å; Y201-K203 VanDerWaalsContact C-N 3.32Å; Y201-K203 PolarHBondContact O-N 3.19Å
202D90.6Very high93.3Very high131 Ų13171.2 Ų71.270%0.70136%0.356SS*.G310 helixtrans-77.5-12.6179.6-58.3-56.1000114.3R153 P200R153-D202 IonicContact CZ-OD1 3.61Å; R153-D202 IonicContact NH1-OD1 2.89Å; R153-D202 IonicContact NH2-OD1 3.66Å; R153-D202 PolarHBondContact NH2-OD1 3.11Å; P200-D202 PolarHBondContact O-N 3.13Å
203K92.6Very high93.3Very high165 Ų16566.9 Ų66.972%0.71734%0.336SS*.G310 helixtrans-127.623.6-172.4-62.2-173.9-179.2-1800112.8P200 Y201 P205P200-K203 CarbonylContact O-C 3.54Å; P200-K203 PolarHBondContact O-N 2.62Å; Y201-K203 VanDerWaalsContact C-N 3.32Å; Y201-K203 PolarHBondContact O-N 3.19Å; K203-P205 WeakPolarHBondContact O-CD 3.3Å
204Q92.7Very high93.2Very high17 Ų1764.3 Ų64.38%0.07932%0.323CS..  trans-73.3118.5-179.3-67.1-172.1-26.100111S152 F199 P200 I209S152-Q204 VanDerWaalsContact CB-OE1 3.3Å; S152-Q204 PolarHBondContact OG-OE1 2.89Å; F199-Q204 HydrophobicContact CB-CG 4.12Å; F199-Q204 PolarHBondContact O-NE2 3.43Å; P200-Q204 VanDerWaalsContact O-CG 3.29Å; P200-Q204 WeakPolarHBondContact O-CG 3.33Å; P200-Q204 PolarHBondContact O-N 3.05Å; Q204-I209 HydrophobicContact CB-CD1 3.92Å; Q204-I209 HydrophobicContact CG-CD1 3.66Å
205P93.2Very high93Very high40 Ų4059.6 Ų59.626%0.2630%0.297SS..  trans-71.4134.5177.820.7-20.3000110.3F199 K203 L207 A208 I209F199-P205 HydrophobicContact CD1-CG 4.34Å; F199-P205 HydrophobicContact CD2-CG 3.9Å; F199-P205 HydrophobicContact CE1-CG 4.18Å; F199-P205 HydrophobicContact CE2-CG 3.72Å; F199-P205 HydrophobicContact CG-CG 4.21Å; F199-P205 HydrophobicContact CZ-CG 3.88Å; K203-P205 WeakPolarHBondContact O-CD 3.3Å; P205-L207 PolarHBondContact O-N 2.58Å; P205-L207 VanDerWaalsContact O-N 3.09Å; P205-A208 HydrophobicContact CB-CB 4.49Å; P205-A208 HydrophobicContact CG-CB 3.74Å; P205-A208 PolarHBondContact O-N 3.43Å; P205-I209 PolarHBondContact O-N 2.93Å
206P90.1Very high92.8Very high101 Ų10159.3 Ų59.366%0.65630%0.301SS*.THydrogen-bonded Turntrans-64.9-18.8-174.825.9-35.4000113.7Q211P206-Q211 HydrophobicContact CB-CG 4.14Å
207L92.7Very high92.5Very high154 Ų15462.6 Ų62.681%0.80631%0.314SS*.THydrogen-bonded Turntrans-86.3-16.4177.2-73167.9000113.8T178 P205T178-L207 VanDerWaalsContact CG2-O 3.3Å; T178-L207 WeakPolarHBondContact CG2-O 3.3Å; T178-L207 PolarHBondContact OG1-O 3.47Å; P205-L207 PolarHBondContact O-N 2.58Å; P205-L207 VanDerWaalsContact O-N 3.09Å
208A94.5Very high92.1Very high3 Ų361.1 Ų61.13%0.02531%0.307CS..THydrogen-bonded Turntrans-100.6-28.8-179.200000112.8C177 T178 D193 C196 F199 P205C177-A208 CarbonylContact C-O 3.58Å; C177-A208 VanDerWaalsContact CA-O 3.3Å; C177-A208 WeakPolarHBondContact CA-O 3.37Å; T178-A208 PolarHBondContact N-O 3.25Å; T178-A208 WeakPolarHBondContact OG1-CA 3.2Å; T178-A208 PolarHBondContact OG1-O 3.06Å; D193-A208 HydrophobicContact CB-CB 3.96Å; C196-A208 HydrophobicContact CB-CB 4.32Å; F199-A208 HydrophobicContact CE2-CB 4.17Å; P205-A208 HydrophobicContact CB-CB 4.49Å; P205-A208 HydrophobicContact CG-CB 3.74Å; P205-A208 PolarHBondContact O-N 3.43Å
209I95.8Very high91.6Very high0 Ų058.6 Ų58.60%030%0.297CS..BIsolated β-bridgetrans-132.2135.7-174.4-56175.3000110.1V172 C176 C196 F199 Q204 P205 Q211V172-I209 HydrophobicContact CG2-CD1 4.16Å; C176-I209 HydrophobicContact CB-CG2 4.38Å; C196-I209 HydrophobicContact CB-CG1 4.41Å; C196-I209 WeakPolarHBondContact O-CD1 3.13Å; F199-I209 HydrophobicContact CB-CD1 4.34Å; Q204-I209 HydrophobicContact CB-CD1 3.92Å; Q204-I209 HydrophobicContact CG-CD1 3.66Å; P205-I209 PolarHBondContact O-N 2.93Å; I209-Q211 PolarHBondContact O-N 3.37Å; I209-Q211 PolarHBondContact O-NE2 3.49Å
210H94.9Very high91.2Very high23 Ų2360.1 Ų60.111%0.10631%0.306CS..  trans-62.2117.1174-67.4-43.1000111.8K145 C147 C176K145-H210 VanDerWaalsContact O-CB 3.29Å; K145-H210 WeakPolarHBondContact O-CB 3.04Å; K145-H210 VanDerWaalsContact O-CG 3.22Å; K145-H210 PolarHBondContact O-ND1 3.3Å; C147-H210 HydrophobicContact CB-CB 4.14Å; C147-H210 WeakPolarHBondContact CB-O 3.17Å; C176-H210 PolarHBondContact O-CD2 3.31Å; C176-H210 VanDerWaalsContact O-CD2 3.32Å; C176-H210 PolarHBondContact O-N 2.78Å
211Q90.6Very high90.8Very high92 Ų9259.4 Ų59.443%0.4330%0.297SS..  trans-85.4-19.3-172.8-62.6-61.4-49.500114.7P206 I209P206-Q211 HydrophobicContact CB-CG 4.14Å; I209-Q211 PolarHBondContact O-N 3.37Å; I209-Q211 PolarHBondContact O-NE2 3.49Å
212Q93.6Very high90.3Very high105 Ų10558.9 Ų58.949%0.49130%0.296SS..SBendtrans-92.2142.2-176-65-169.19.300111.3C146 C147C146-Q212 CarbonylContact C-O 3.34Å; C146-Q212 WeakPolarHBondContact CA-O 3.18Å; C146-Q212 WeakPolarHBondContact CB-O 3.42Å; C147-Q212 PolarHBondContact N-O 3.3Å
213G93.7Very high89.8Confident10 Ų1055.4 Ų55.410%0.10328%0.276CS..  trans-67.2146.1173.500000113.5S149 N150S149-G213 CarbonylContact O-C 3.53Å; S149-G213 VanDerWaalsContact O-C 3.25Å; S149-G213 WeakPolarHBondContact O-CA 3.45Å; N150-G213 VanDerWaalsContact C-CA 3.44Å; N150-G213 WeakPolarHBondContact O-CA 3.31Å; N150-G213 PolarHBondContact O-N 2.93Å
214C93.2Very high89.3Confident0 Ų053.7 Ų53.70%027%0.271CS..Hα-helixtrans-75.6-30.8180-65.40000113.6F119 V140 C146 G148 S149 Q216 R217 V218F119-C214 HydrophobicContact CD1-CB 3.96Å; F119-C214 HydrophobicContact CD2-CB 4.36Å; F119-C214 HydrophobicContact CE1-CB 3.43Å; F119-C214 VanDerWaalsContact CE1-CB 3.43Å; F119-C214 HydrophobicContact CE2-CB 3.95Å; F119-C214 HydrophobicContact CG-CB 4.4Å; F119-C214 HydrophobicContact CZ-CB 3.44Å; F119-C214 VanDerWaalsContact CZ-CB 3.44Å; V140-C214 HydrophobicContact CG1-CB 3.98Å; C146-C214 VanDerWaalsContact C-SG 3.54Å; C146-C214 HydrophobicContact CB-CB 3.9Å; C146-C214 WeakPolarHBondContact CB-SG 3.21Å; C146-C214 WeakPolarHBondContact SG-CA 3.35Å; C146-C214 WeakPolarHBondContact SG-CB 3.36Å; C146-C214 CovalentContact SG-SG 2.03Å; C146-C214 PolarHBondContact SG-SG 3.12Å; G148-C214 WeakPolarHBondContact O-CB 3.4Å; G148-C214 PolarHBondContact O-N 3.33Å; G148-C214 PolarHBondContact O-SG 2.75Å; G148-C214 VanDerWaalsContact O-SG 3.36Å; S149-C214 PolarHBondContact O-N 3.4Å; C214-Q216 PolarHBondContact O-N 3.35Å; C214-R217 PolarHBondContact O-N 2.8Å; C214-V218 HydrophobicContact CB-CG2 4.5Å; C214-V218 VanDerWaalsContact O-CB 3.3Å; C214-V218 WeakPolarHBondContact O-CB 3.33Å; C214-V218 VanDerWaalsContact O-CG2 3.24Å; C214-V218 WeakPolarHBondContact O-CG2 3.43Å; C214-V218 PolarHBondContact O-N 2.89Å
215Q89.6Confident88.8Confident25 Ų2554.5 Ų54.512%0.11728%0.276CS..Hα-helixtrans-56.1-53.9-176.4-178174.6-21.500110.8D116 F119 S149 R217 T219D116-Q215 PolarHBondContact OD1-NE2 3.11Å; F119-Q215 HydrophobicContact CB-CB 4.37Å; S149-Q215 WeakPolarHBondContact O-CB 3.4Å; S149-Q215 PolarHBondContact O-N 2.99Å; S149-Q215 PolarHBondContact OG-OE1 3.15Å; Q215-R217 PolarHBondContact O-N 2.03Å; Q215-T219 WeakPolarHBondContact O-CB 3.03Å; Q215-T219 PolarHBondContact O-N 2.79Å; Q215-T219 PolarHBondContact O-OG1 3.46Å
216Q88Confident88.2Confident138 Ų13854.6 Ų54.665%0.64528%0.277SS*.Hα-helixtrans-64.1-42.9179-170.7-179.910.900112.3C214 T219 I220C214-Q216 PolarHBondContact O-N 3.35Å; Q216-T219 PolarHBondContact O-N 3.22Å; Q216-I220 HydrophobicContact CG-CD1 3.81Å; Q216-I220 HydrophobicContact CG-CG1 4.47Å; Q216-I220 WeakPolarHBondContact O-CB 3.1Å; Q216-I220 VanDerWaalsContact O-CG1 3.27Å; Q216-I220 WeakPolarHBondContact O-CG1 3.31Å; Q216-I220 PolarHBondContact O-N 3.28Å
217R89.6Confident87.8Confident70 Ų7058 Ų5826%0.26428%0.277SS..Hα-helixtrans-66.3-41-178.2-79.1-154.5172.9162.13113H144 K145 C214 Q215 W221H144-R217 HydrophobicContact CB-CB 4.45Å; H144-R217 WeakPolarHBondContact O-CD 3.47Å; H144-R217 PolarHBondContact O-NH1 3.42Å; K145-R217 PolarHBondContact O-NH1 2.88Å; C214-R217 PolarHBondContact O-N 2.8Å; Q215-R217 PolarHBondContact O-N 2.03Å; R217-W221 VanDerWaalsContact O-CB 3.31Å; R217-W221 WeakPolarHBondContact O-CB 3.29Å; R217-W221 PolarHBondContact O-N 2.94Å; R217-W221 VanDerWaalsContact O-N 3.08Å
218V86.5Confident87.3Confident2 Ų256.4 Ų56.41%0.01226%0.264CS..Hα-helixtrans-67.3-48177.2172.10000109.5Y40 V140 C214 I220 W221 I222Y40-V218 HydrophobicContact CD1-CG1 3.9Å; Y40-V218 HydrophobicContact CE1-CG1 3.85Å; V140-V218 HydrophobicContact CG1-CG2 3.46Å; V140-V218 VanDerWaalsContact CG1-CG2 3.46Å; C214-V218 HydrophobicContact CB-CG2 4.5Å; C214-V218 VanDerWaalsContact O-CB 3.3Å; C214-V218 WeakPolarHBondContact O-CB 3.33Å; C214-V218 VanDerWaalsContact O-CG2 3.24Å; C214-V218 WeakPolarHBondContact O-CG2 3.43Å; C214-V218 PolarHBondContact O-N 2.89Å; V218-I220 PolarHBondContact O-N 3.45Å; V218-W221 PolarHBondContact O-N 2.71Å; V218-W221 VanDerWaalsContact O-N 3.16Å; V218-I222 HydrophobicContact CG1-CD1 3.65Å; V218-I222 HydrophobicContact CG1-CG1 4.18Å; V218-I222 WeakPolarHBondContact O-CG1 3.27Å; V218-I222 PolarHBondContact O-N 3.36Å
219T82.7Confident86.6Confident26 Ų2659.4 Ų59.416%0.1628%0.279CS..Hα-helixtrans-58.3-47.3178.6-61.80000112.1Q215 Q216 W221 I222 I223Q215-T219 WeakPolarHBondContact O-CB 3.03Å; Q215-T219 PolarHBondContact O-N 2.79Å; Q215-T219 PolarHBondContact O-OG1 3.46Å; Q216-T219 PolarHBondContact O-N 3.22Å; T219-W221 VanDerWaalsContact C-N 3.33Å; T219-W221 PolarHBondContact O-N 2.75Å; T219-I222 PolarHBondContact O-N 3.47Å; T219-I223 HydrophobicContact CG2-CD1 3.71Å; T219-I223 HydrophobicContact CG2-CG1 4.43Å; T219-I223 WeakPolarHBondContact O-CD1 3.28Å; T219-I223 VanDerWaalsContact O-CG1 3.22Å; T219-I223 WeakPolarHBondContact O-CG1 3.48Å; T219-I223 PolarHBondContact O-N 3.3Å
220I85.2Confident85.9Confident78 Ų7861 Ų6140%0.429%0.291SS..Hα-helixtrans-60.4-44.6176.9-70169.8000111Q216 V218 I223 Q224Q216-I220 HydrophobicContact CG-CD1 3.81Å; Q216-I220 HydrophobicContact CG-CG1 4.47Å; Q216-I220 WeakPolarHBondContact O-CB 3.1Å; Q216-I220 VanDerWaalsContact O-CG1 3.27Å; Q216-I220 WeakPolarHBondContact O-CG1 3.31Å; Q216-I220 PolarHBondContact O-N 3.28Å; V218-I220 PolarHBondContact O-N 3.45Å; I220-I223 PolarHBondContact O-N 3.25Å; I220-Q224 HydrophobicContact CG2-CG 4.46Å; I220-Q224 WeakPolarHBondContact O-CB 3.46Å; I220-Q224 WeakPolarHBondContact O-CG 3.37Å; I220-Q224 PolarHBondContact O-N 3.02Å
221W84.9Confident85.4Confident39 Ų3962.8 Ų62.815%0.14831%0.31CS..Hα-helixtrans-64.1-42.8179.2179.594.2000111.8R34 A37 H144 R217 V218 T219 Q224 N225R34-W221 HydrophobicContact CG-CZ2 4.25Å; A37-W221 HydrophobicContact CB-CE3 4.06Å; A37-W221 HydrophobicContact CB-CH2 3.58Å; A37-W221 HydrophobicContact CB-CZ3 3.12Å; H144-W221 AromaticContact CE1-CD1 3.79Å; H144-W221 AromaticContact CE1-CD2 3.69Å; H144-W221 AromaticContact CE1-CG 3.44Å; H144-W221 VanDerWaalsContact CE1-CG 3.44Å; R217-W221 VanDerWaalsContact O-CB 3.31Å; R217-W221 WeakPolarHBondContact O-CB 3.29Å; R217-W221 PolarHBondContact O-N 2.94Å; R217-W221 VanDerWaalsContact O-N 3.08Å; V218-W221 PolarHBondContact O-N 2.71Å; V218-W221 VanDerWaalsContact O-N 3.16Å; T219-W221 VanDerWaalsContact C-N 3.33Å; T219-W221 PolarHBondContact O-N 2.75Å; W221-Q224 PolarHBondContact O-N 3.48Å; W221-N225 VanDerWaalsContact CE2-ND2 3.28Å; W221-N225 PolarHBondContact NE1-ND2 3.47Å; W221-N225 PolarHBondContact O-N 3.04Å; W221-N225 PolarHBondContact O-ND2 3.24Å
222I80.8Confident85.1Confident18 Ų1860.2 Ų60.29%0.09230%0.299CS..Hα-helixtrans-60.6-50.8177.1-71.1176.3000109.1Y40 V41 M115 V218 T219 Q224 N225 C226Y40-I222 HydrophobicContact CD1-CD1 4.08Å; Y40-I222 HydrophobicContact CE1-CD1 4.4Å; V41-I222 HydrophobicContact CG2-CD1 4.35Å; M115-I222 HydrophobicContact CE-CD1 3.7Å; M115-I222 HydrophobicContact SD-CD1 3.77Å; V218-I222 HydrophobicContact CG1-CD1 3.65Å; V218-I222 HydrophobicContact CG1-CG1 4.18Å; V218-I222 WeakPolarHBondContact O-CG1 3.27Å; V218-I222 PolarHBondContact O-N 3.36Å; T219-I222 PolarHBondContact O-N 3.47Å; I222-Q224 PolarHBondContact O-N 3.16Å; I222-N225 PolarHBondContact O-N 2.86Å; I222-C226 VanDerWaalsContact O-CB 3.28Å; I222-C226 WeakPolarHBondContact O-CB 3.44Å; I222-C226 PolarHBondContact O-N 2.89Å; I222-C226 PolarHBondContact O-SG 3.14Å
223I81Confident84.6Confident57 Ų5756.8 Ų56.829%0.29229%0.289SS..Hα-helixtrans-55.3-51179.4-66.6164000111.1F108 T219 I220 N225 C226 W227F108-I223 HydrophobicContact CE1-CG1 4.07Å; F108-I223 HydrophobicContact CZ-CB 4.25Å; F108-I223 HydrophobicContact CZ-CG1 3.79Å; F108-I223 HydrophobicContact CZ-CG2 4.47Å; T219-I223 HydrophobicContact CG2-CD1 3.71Å; T219-I223 HydrophobicContact CG2-CG1 4.43Å; T219-I223 WeakPolarHBondContact O-CD1 3.28Å; T219-I223 VanDerWaalsContact O-CG1 3.22Å; T219-I223 WeakPolarHBondContact O-CG1 3.48Å; T219-I223 PolarHBondContact O-N 3.3Å; I220-I223 PolarHBondContact O-N 3.25Å; I223-N225 VanDerWaalsContact C-N 3.35Å; I223-N225 PolarHBondContact O-N 3.36Å; I223-C226 PolarHBondContact O-N 2.9Å; I223-W227 PolarHBondContact O-N 2.87Å
224Q82.7Confident84.1Confident130 Ų13062.3 Ų62.361%0.60731%0.31SS*.Hα-helixtrans-61.6-40.8-178.3-73.4177.2-1500113I220 W221 I222I220-Q224 HydrophobicContact CG2-CG 4.46Å; I220-Q224 WeakPolarHBondContact O-CB 3.46Å; I220-Q224 WeakPolarHBondContact O-CG 3.37Å; I220-Q224 PolarHBondContact O-N 3.02Å; W221-Q224 PolarHBondContact O-N 3.48Å; I222-Q224 PolarHBondContact O-N 3.16Å
225N82.3Confident83.8Confident33 Ų3364.1 Ų64.118%0.17633%0.326CS..Hα-helixtrans-76-33.4179.3-74.6-91.3000112.1R34 W221 I222 I223 F228 I229R34-N225 PolarHBondContact NH1-OD1 3.46Å; W221-N225 VanDerWaalsContact CE2-ND2 3.28Å; W221-N225 PolarHBondContact NE1-ND2 3.47Å; W221-N225 PolarHBondContact O-N 3.04Å; W221-N225 PolarHBondContact O-ND2 3.24Å; I222-N225 PolarHBondContact O-N 2.86Å; I223-N225 VanDerWaalsContact C-N 3.35Å; I223-N225 PolarHBondContact O-N 3.36Å; N225-F228 WeakPolarHBondContact O-CB 3.11Å; N225-F228 PolarHBondContact O-N 3.46Å; N225-I229 WeakPolarHBondContact O-CG1 3.34Å; N225-I229 PolarHBondContact O-N 3.49Å
226C80.4Confident83.5Confident42 Ų4263.4 Ų63.428%0.28432%0.324SS..Hα-helixtrans-64.7-41.1178-770000112.4F108 I222 I223 F228 I229 A230F108-C226 HydrophobicContact CD2-CB 4.24Å; F108-C226 HydrophobicContact CE2-CB 3.45Å; F108-C226 VanDerWaalsContact CE2-CB 3.45Å; F108-C226 HydrophobicContact CZ-CB 4.06Å; I222-C226 VanDerWaalsContact O-CB 3.28Å; I222-C226 WeakPolarHBondContact O-CB 3.44Å; I222-C226 PolarHBondContact O-N 2.89Å; I222-C226 PolarHBondContact O-SG 3.14Å; I223-C226 PolarHBondContact O-N 2.9Å; C226-F228 VanDerWaalsContact C-N 3.3Å; C226-F228 PolarHBondContact O-N 2.91Å; C226-I229 PolarHBondContact O-N 2.93Å; C226-A230 VanDerWaalsContact O-CB 3.31Å; C226-A230 WeakPolarHBondContact O-CB 3.47Å; C226-A230 PolarHBondContact O-N 3.37Å
227W80.3Confident83.2Confident173 Ų17357.1 Ų57.166%0.65530%0.295SS*.Hα-helixtrans-59.8-41.1173.9-79.7106.7000112.2I223 A230 A231I223-W227 PolarHBondContact O-N 2.87Å; W227-A230 PolarHBondContact O-N 2.93Å; W227-A231 WeakPolarHBondContact O-CB 3.25Å; W227-A231 PolarHBondContact O-N 3.03Å
228F83.2Confident83Confident121 Ų12158.6 Ų58.653%0.53131%0.308SS..Hα-helixtrans-63.9-45.3175.8179.6-100.6000112N225 C226 A231 L232N225-F228 WeakPolarHBondContact O-CB 3.11Å; N225-F228 PolarHBondContact O-N 3.46Å; C226-F228 VanDerWaalsContact C-N 3.3Å; C226-F228 PolarHBondContact O-N 2.91Å; F228-A231 PolarHBondContact O-N 3.47Å; F228-L232 HydrophobicContact CD1-CD1 3.92Å; F228-L232 HydrophobicContact CE1-CD1 3.37Å; F228-L232 HydrophobicContact CE1-CG 4.27Å; F228-L232 HydrophobicContact CZ-CD1 3.73Å; F228-L232 HydrophobicContact CZ-CG 4.3Å; F228-L232 WeakPolarHBondContact O-CG 3.16Å; F228-L232 PolarHBondContact O-N 2.97Å; F228-L232 VanDerWaalsContact O-N 3.09Å
229I80.1Confident83Confident66 Ų6661.5 Ų61.534%0.33832%0.323SS..Hα-helixtrans-63.8-43.7177.2-66.2165000111M28 N225 C226 A231 L232 A233M28-I229 HydrophobicContact SD-CD1 3.78Å; M28-I229 HydrophobicContact SD-CG1 4.42Å; N225-I229 WeakPolarHBondContact O-CG1 3.34Å; N225-I229 PolarHBondContact O-N 3.49Å; C226-I229 PolarHBondContact O-N 2.93Å; I229-A231 VanDerWaalsContact C-N 3.34Å; I229-A231 PolarHBondContact O-N 3.38Å; I229-L232 PolarHBondContact O-N 3.24Å; I229-A233 WeakPolarHBondContact O-CB 3.4Å; I229-A233 PolarHBondContact O-N 3.46Å
230A81Confident83Confident32 Ų3261.3 Ų61.326%0.26432%0.32SS..Hα-helixtrans-61.6-4217800000111.7C226 W227 A233 F234C226-A230 VanDerWaalsContact O-CB 3.31Å; C226-A230 WeakPolarHBondContact O-CB 3.47Å; C226-A230 PolarHBondContact O-N 3.37Å; W227-A230 PolarHBondContact O-N 2.93Å; A230-A233 PolarHBondContact O-N 2.65Å; A230-F234 WeakPolarHBondContact O-CB 3.38Å; A230-F234 PolarHBondContact O-N 3.36Å
231A84.2Confident83.1Confident61 Ų6159.3 Ų59.350%0.50432%0.315SS..Hα-helixtrans-62.1-43.3175.600000112.2W227 F228 I229 F234 A235W227-A231 WeakPolarHBondContact O-CB 3.25Å; W227-A231 PolarHBondContact O-N 3.03Å; F228-A231 PolarHBondContact O-N 3.47Å; I229-A231 VanDerWaalsContact C-N 3.34Å; I229-A231 PolarHBondContact O-N 3.38Å; A231-F234 PolarHBondContact O-N 2.6Å; A231-A235 WeakPolarHBondContact O-CB 3.3Å; A231-A235 PolarHBondContact O-N 2.95Å
232L84.7Confident83.2Confident38 Ų3861.6 Ų61.620%0.19933%0.326CS..Hα-helixtrans-64-42.6175.4-72.7175.7000112.4Y17 L21 I24 F228 I229 F234 A235 A236Y17-L232 PolarHBondContact OH-O 3.34Å; L21-L232 HydrophobicContact CD2-CB 4.32Å; I24-L232 HydrophobicContact CD1-CD1 3.8Å; F228-L232 HydrophobicContact CD1-CD1 3.92Å; F228-L232 HydrophobicContact CE1-CD1 3.37Å; F228-L232 HydrophobicContact CE1-CG 4.27Å; F228-L232 HydrophobicContact CZ-CD1 3.73Å; F228-L232 HydrophobicContact CZ-CG 4.3Å; F228-L232 WeakPolarHBondContact O-CG 3.16Å; F228-L232 PolarHBondContact O-N 2.97Å; F228-L232 VanDerWaalsContact O-N 3.09Å; I229-L232 PolarHBondContact O-N 3.24Å; L232-F234 VanDerWaalsContact C-N 3.34Å; L232-F234 PolarHBondContact O-N 2.84Å; L232-A235 PolarHBondContact O-N 3.03Å; L232-A236 WeakPolarHBondContact O-CB 3.47Å; L232-A236 PolarHBondContact O-N 2.92Å
233A82.3Confident83.3Confident33 Ų3361.4 Ų61.427%0.27333%0.328SS..Hα-helixtrans-64.1-39.7177.700000112I229 A230 A236 S237I229-A233 WeakPolarHBondContact O-CB 3.4Å; I229-A233 PolarHBondContact O-N 3.46Å; A230-A233 PolarHBondContact O-N 2.65Å; A233-A236 PolarHBondContact O-N 3.12Å; A233-S237 PolarHBondContact O-N 3.48Å; A233-S237 PolarHBondContact O-OG 2.89Å
234F84.1Confident83.7Confident126 Ų12660.2 Ų60.255%0.55332%0.322SS*.Hα-helixtrans-64.9-47175.1-176.1-103.7000111.9A230 A231 L232 A236 S237 L238A230-F234 WeakPolarHBondContact O-CB 3.38Å; A230-F234 PolarHBondContact O-N 3.36Å; A231-F234 PolarHBondContact O-N 2.6Å; L232-F234 VanDerWaalsContact C-N 3.34Å; L232-F234 PolarHBondContact O-N 2.84Å; F234-A236 VanDerWaalsContact C-N 3.3Å; F234-A236 PolarHBondContact O-N 3.35Å; F234-S237 WeakPolarHBondContact O-CB 3.41Å; F234-S237 PolarHBondContact O-N 3.19Å; F234-S237 VanDerWaalsContact O-N 3.15Å; F234-L238 HydrophobicContact CD1-CD1 4.12Å; F234-L238 HydrophobicContact CE1-CD1 3.61Å; F234-L238 HydrophobicContact CE1-CG 4.21Å; F234-L238 HydrophobicContact CZ-CD1 4.11Å; F234-L238 HydrophobicContact CZ-CD2 4.4Å; F234-L238 HydrophobicContact CZ-CG 4.36Å; F234-L238 PolarHBondContact O-N 3.13Å; F234-L238 VanDerWaalsContact O-N 3.09Å
235A85.8Confident83.9Confident39 Ų3958.3 Ų58.332%0.32232%0.315SS..Hα-helixtrans-59.8-41175.500000112A231 L232 S237 L238 L239A231-A235 WeakPolarHBondContact O-CB 3.3Å; A231-A235 PolarHBondContact O-N 2.95Å; L232-A235 PolarHBondContact O-N 3.03Å; A235-S237 VanDerWaalsContact C-N 3.34Å; A235-S237 PolarHBondContact O-N 3.13Å; A235-L238 PolarHBondContact O-N 2.8Å; A235-L239 WeakPolarHBondContact O-CG 3.44Å; A235-L239 PolarHBondContact O-N 3.32Å
236A83.3Confident84.1Confident10 Ų1057.8 Ų57.88%0.08331%0.312CS..Hα-helixtrans-60.6-43.1174.900000112.1Y17 L21 L232 A233 F234 L238 L239 H240Y17-A236 HydrophobicContact CE1-CB 3.66Å; Y17-A236 PolarHBondContact OH-N 3.32Å; L21-A236 HydrophobicContact CD1-CB 3.89Å; L232-A236 WeakPolarHBondContact O-CB 3.47Å; L232-A236 PolarHBondContact O-N 2.92Å; A233-A236 PolarHBondContact O-N 3.12Å; F234-A236 VanDerWaalsContact C-N 3.3Å; F234-A236 PolarHBondContact O-N 3.35Å; A236-L238 PolarHBondContact O-N 2.97Å; A236-L239 PolarHBondContact O-N 3.43Å; A236-H240 PolarHBondContact O-N 3.4Å
237S82.9Confident84.4Confident5 Ų556.4 Ų56.44%0.03530%0.302CS..Hα-helixtrans-63.6-40.1179.5-600000112.1A233 F234 A235 A241A233-S237 PolarHBondContact O-N 3.48Å; A233-S237 PolarHBondContact O-OG 2.89Å; F234-S237 WeakPolarHBondContact O-CB 3.41Å; F234-S237 PolarHBondContact O-N 3.19Å; F234-S237 VanDerWaalsContact O-N 3.15Å; A235-S237 VanDerWaalsContact C-N 3.34Å; A235-S237 PolarHBondContact O-N 3.13Å; S237-A241 WeakPolarHBondContact O-CB 3.35Å; S237-A241 PolarHBondContact O-N 3.09Å
238L85.8Confident84.7Confident102 Ų10250.2 Ų50.253%0.53428%0.283SS..Hα-helixtrans-65-42.4174.7-67.3179.5000112.1F234 A235 A236 A241 F242F234-L238 HydrophobicContact CD1-CD1 4.12Å; F234-L238 HydrophobicContact CE1-CD1 3.61Å; F234-L238 HydrophobicContact CE1-CG 4.21Å; F234-L238 HydrophobicContact CZ-CD1 4.11Å; F234-L238 HydrophobicContact CZ-CD2 4.4Å; F234-L238 HydrophobicContact CZ-CG 4.36Å; F234-L238 PolarHBondContact O-N 3.13Å; F234-L238 VanDerWaalsContact O-N 3.09Å; A235-L238 PolarHBondContact O-N 2.8Å; A236-L238 PolarHBondContact O-N 2.97Å; L238-A241 PolarHBondContact O-N 3.21Å; L238-F242 PolarHBondContact O-N 3.18Å
239L84.8Confident85Confident63 Ų6350.3 Ų50.333%0.3328%0.283SS..Hα-helixtrans-64.2-42.4177.5-74.8172.4000112L14 Y17 A235 A236 F242 A243L14-L239 HydrophobicContact CD2-CB 3.75Å; L14-L239 HydrophobicContact CD2-CD2 4.16Å; L14-L239 HydrophobicContact CD2-CG 4.38Å; Y17-L239 HydrophobicContact CD1-CD1 3.63Å; Y17-L239 HydrophobicContact CD2-CD1 4.03Å; Y17-L239 HydrophobicContact CE1-CD1 3.72Å; Y17-L239 HydrophobicContact CE2-CD1 4.13Å; Y17-L239 HydrophobicContact CG-CD1 3.79Å; A235-L239 WeakPolarHBondContact O-CG 3.44Å; A235-L239 PolarHBondContact O-N 3.32Å; A236-L239 PolarHBondContact O-N 3.43Å; L239-F242 PolarHBondContact O-N 3.31Å; L239-A243 WeakPolarHBondContact O-CB 3.35Å; L239-A243 PolarHBondContact O-N 2.8Å
240H83.8Confident85.3Confident22 Ų2248 Ų4810%0.10227%0.271CS..Hα-helixtrans-64.3-42.3174.3-72.6179.1000112.2T94 A236 F242 A243 L244T94-H240 HydrophobicContact CG2-CB 4.37Å; A236-H240 PolarHBondContact O-N 3.4Å; H240-F242 VanDerWaalsContact C-N 3.32Å; H240-F242 PolarHBondContact O-N 3.21Å; H240-A243 PolarHBondContact O-N 2.68Å; H240-L244 WeakPolarHBondContact O-CB 3.37Å; H240-L244 PolarHBondContact O-N 2.98Å
241A86.9Confident85.6Confident36 Ų3649.4 Ų49.430%0.29827%0.271SS..Hα-helixtrans-61-41.9175.800000111.7S237 L238 L244 I245S237-A241 WeakPolarHBondContact O-CB 3.35Å; S237-A241 PolarHBondContact O-N 3.09Å; L238-A241 PolarHBondContact O-N 3.21Å; A241-L244 PolarHBondContact O-N 2.89Å; A241-I245 WeakPolarHBondContact O-CD1 3.41Å; A241-I245 VanDerWaalsContact O-CG1 3.27Å; A241-I245 WeakPolarHBondContact O-CG1 3.3Å; A241-I245 PolarHBondContact O-N 2.96Å
242F86.5Confident85.8Confident87 Ų8754.4 Ų54.438%0.38228%0.277SS..Hα-helixtrans-62.5-47174.4-179-102000112V10 L238 L239 H240 L244 I245 V246V10-F242 HydrophobicContact CG1-CD1 4.21Å; V10-F242 HydrophobicContact CG1-CE1 3.77Å; V10-F242 HydrophobicContact CG2-CE1 4.22Å; L238-F242 PolarHBondContact O-N 3.18Å; L239-F242 PolarHBondContact O-N 3.31Å; H240-F242 VanDerWaalsContact C-N 3.32Å; H240-F242 PolarHBondContact O-N 3.21Å; F242-L244 VanDerWaalsContact C-N 3.32Å; F242-L244 PolarHBondContact O-N 3.28Å; F242-I245 PolarHBondContact O-N 2.61Å; F242-V246 HydrophobicContact CD1-CG2 4.37Å; F242-V246 HydrophobicContact CE1-CG2 4Å; F242-V246 HydrophobicContact CE2-CG2 4.34Å; F242-V246 HydrophobicContact CZ-CG2 3.98Å; F242-V246 WeakPolarHBondContact O-CG2 3.29Å; F242-V246 PolarHBondContact O-N 2.89Å; F242-V246 VanDerWaalsContact O-N 3.09Å
243A84.3Confident85.9Confident14 Ų1460.3 Ų60.312%0.11630%0.297CS..Hα-helixtrans-57.5-45.2176.800000111.7L14 L239 H240 I245 V246 E247L14-A243 HydrophobicContact CD1-CB 3.66Å; L239-A243 WeakPolarHBondContact O-CB 3.35Å; L239-A243 PolarHBondContact O-N 2.8Å; H240-A243 PolarHBondContact O-N 2.68Å; A243-I245 PolarHBondContact O-N 3.36Å; A243-V246 WeakPolarHBondContact O-CB 3.36Å; A243-V246 PolarHBondContact O-N 2.85Å; A243-E247 WeakPolarHBondContact O-CB 3.48Å; A243-E247 PolarHBondContact O-N 2.71Å
244L87.5Confident86.1Confident32 Ų3260.2 Ų60.217%0.16829%0.292CS..Hα-helixtrans-60.7-45.6177.5177.565.7000112.2L90 V91 H240 A241 F242 V246 E247 V248L90-L244 HydrophobicContact CB-CD1 4.15Å; V91-L244 HydrophobicContact CG2-CD1 3.66Å; V91-L244 HydrophobicContact CG2-CD2 3.8Å; V91-L244 HydrophobicContact CG2-CG 4.37Å; H240-L244 WeakPolarHBondContact O-CB 3.37Å; H240-L244 PolarHBondContact O-N 2.98Å; A241-L244 PolarHBondContact O-N 2.89Å; F242-L244 VanDerWaalsContact C-N 3.32Å; F242-L244 PolarHBondContact O-N 3.28Å; L244-V246 VanDerWaalsContact C-N 3.27Å; L244-V246 PolarHBondContact O-N 3Å; L244-E247 PolarHBondContact O-N 2.94Å; L244-V248 HydrophobicContact CD1-CG2 3.92Å; L244-V248 HydrophobicContact CG-CG2 4.35Å; L244-V248 WeakPolarHBondContact O-CB 3.37Å; L244-V248 VanDerWaalsContact O-CG2 3.26Å; L244-V248 WeakPolarHBondContact O-CG2 3.48Å; L244-V248 PolarHBondContact O-N 3.1Å
245I88.8Confident86.2Confident90 Ų9059.7 Ų59.746%0.46229%0.29SS..Hα-helixtrans-59.5-43.2178-69.6163.1000110.6A241 F242 A243 K249A241-I245 WeakPolarHBondContact O-CD1 3.41Å; A241-I245 VanDerWaalsContact O-CG1 3.27Å; A241-I245 WeakPolarHBondContact O-CG1 3.3Å; A241-I245 PolarHBondContact O-N 2.96Å; F242-I245 PolarHBondContact O-N 2.61Å; A243-I245 PolarHBondContact O-N 3.36Å; I245-K249 HydrophobicContact CG2-CD 4.23Å; I245-K249 WeakPolarHBondContact O-CB 3.3Å; I245-K249 VanDerWaalsContact O-CG 3.29Å; I245-K249 WeakPolarHBondContact O-CG 3.25Å; I245-K249 PolarHBondContact O-N 3.16Å; I245-K249 VanDerWaalsContact O-N 3.12Å
246V86.2Confident86.1Confident21 Ų2162.4 Ų62.413%0.12730%0.299CS..Hα-helixtrans-64.9-46.5179.2168.40000110.9L7 F242 A243 L244 K249 L250L7-V246 HydrophobicContact CD2-CG1 3.07Å; F242-V246 HydrophobicContact CD1-CG2 4.37Å; F242-V246 HydrophobicContact CE1-CG2 4Å; F242-V246 HydrophobicContact CE2-CG2 4.34Å; F242-V246 HydrophobicContact CZ-CG2 3.98Å; F242-V246 WeakPolarHBondContact O-CG2 3.29Å; F242-V246 PolarHBondContact O-N 2.89Å; F242-V246 VanDerWaalsContact O-N 3.09Å; A243-V246 WeakPolarHBondContact O-CB 3.36Å; A243-V246 PolarHBondContact O-N 2.85Å; L244-V246 VanDerWaalsContact C-N 3.27Å; L244-V246 PolarHBondContact O-N 3Å; V246-K249 PolarHBondContact O-N 3.45Å; V246-L250 PolarHBondContact O-N 2.95Å
247E85.1Confident86.1Confident14 Ų1463.3 Ų63.37%0.06531%0.306CS..Hα-helixtrans-66.6-43.2-178.4-162.4175.6152.900112.3I83 N86 S87 L90 A243 L244 K249 L250 F251I83-E247 HydrophobicContact CG2-CG 3.65Å; N86-E247 VanDerWaalsContact CB-OE1 3.26Å; N86-E247 WeakPolarHBondContact CB-OE1 3.5Å; N86-E247 PolarHBondContact ND2-OE1 3.17Å; N86-E247 PolarHBondContact ND2-OE2 3.37Å; S87-E247 PolarHBondContact N-OE1 3.37Å; S87-E247 VanDerWaalsContact OG-CD 3.3Å; S87-E247 VanDerWaalsContact OG-CG 3.27Å; S87-E247 WeakPolarHBondContact OG-CG 3.07Å; S87-E247 PolarHBondContact OG-OE1 3.18Å; S87-E247 VanDerWaalsContact OG-OE1 3.1Å; L90-E247 WeakPolarHBondContact CD1-OE2 3.13Å; A243-E247 WeakPolarHBondContact O-CB 3.48Å; A243-E247 PolarHBondContact O-N 2.71Å; L244-E247 PolarHBondContact O-N 2.94Å; E247-K249 VanDerWaalsContact C-N 3.34Å; E247-K249 PolarHBondContact O-N 3.14Å; E247-L250 PolarHBondContact O-N 3.17Å; E247-F251 WeakPolarHBondContact O-CB 3.42Å; E247-F251 PolarHBondContact O-N 2.97Å
248V88Confident85.6Confident42 Ų4267.9 Ų67.926%0.25534%0.335SS..Hα-helixtrans-63-40.1175.8170.90000111.3L244 L250 F251 R252L244-V248 HydrophobicContact CD1-CG2 3.92Å; L244-V248 HydrophobicContact CG-CG2 4.35Å; L244-V248 WeakPolarHBondContact O-CB 3.37Å; L244-V248 VanDerWaalsContact O-CG2 3.26Å; L244-V248 WeakPolarHBondContact O-CG2 3.48Å; L244-V248 PolarHBondContact O-N 3.1Å; V248-L250 VanDerWaalsContact C-N 3.35Å; V248-F251 PolarHBondContact O-N 2.7Å; V248-R252 WeakPolarHBondContact O-CG 3.44Å; V248-R252 PolarHBondContact O-N 3.21Å
249K88.2Confident84.8Confident124 Ų12471.6 Ų71.654%0.53935%0.347SS..Hα-helixtrans-63.6-41.1174.8-78.5176.9179.2177.90111.6I245 V246 E247 R253I245-K249 HydrophobicContact CG2-CD 4.23Å; I245-K249 WeakPolarHBondContact O-CB 3.3Å; I245-K249 VanDerWaalsContact O-CG 3.29Å; I245-K249 WeakPolarHBondContact O-CG 3.25Å; I245-K249 PolarHBondContact O-N 3.16Å; I245-K249 VanDerWaalsContact O-N 3.12Å; V246-K249 PolarHBondContact O-N 3.45Å; E247-K249 VanDerWaalsContact C-N 3.34Å; E247-K249 PolarHBondContact O-N 3.14Å; K249-R253 WeakPolarHBondContact O-CG 3.45Å; K249-R253 PolarHBondContact O-N 2.97Å
250L86.3Confident83.9Confident17 Ų1769.8 Ų69.89%0.08934%0.339CS..Hα-helixtrans-66.1-45.5176.1179.263.4000111.3L7 T75 I83 V246 E247 V248 R252 R253 L254L7-L250 HydrophobicContact CD1-CD2 4.35Å; T75-L250 HydrophobicContact CG2-CD2 3.64Å; I83-L250 HydrophobicContact CD1-CD2 4.03Å; I83-L250 HydrophobicContact CD1-CG 4.4Å; V246-L250 PolarHBondContact O-N 2.95Å; E247-L250 PolarHBondContact O-N 3.17Å; V248-L250 VanDerWaalsContact C-N 3.35Å; L250-R252 PolarHBondContact O-N 3.38Å; L250-R253 PolarHBondContact O-N 3.49Å; L250-L254 HydrophobicContact CD1-CD1 3.99Å; L250-L254 HydrophobicContact CD1-CG 4.07Å; L250-L254 HydrophobicContact CG-CD1 3.93Å; L250-L254 HydrophobicContact CG-CG 4.38Å; L250-L254 WeakPolarHBondContact O-CG 3.46Å; L250-L254 PolarHBondContact O-N 2.85Å
251F88.1Confident82.8Confident61 Ų6176.2 Ų76.227%0.26836%0.362SS..Hα-helixtrans-55.5-51177.4-179.6-100.7000111.3V80 I83 G84 E247 V248 R253 L254 F255V80-F251 HydrophobicContact CG1-CD2 4.05Å; V80-F251 HydrophobicContact CG1-CE2 3.6Å; V80-F251 HydrophobicContact CG1-CZ 4.4Å; V80-F251 WeakPolarHBondContact O-CE2 3.41Å; I83-F251 HydrophobicContact CB-CD2 4.37Å; I83-F251 HydrophobicContact CG2-CB 3.85Å; I83-F251 HydrophobicContact CG2-CD2 4.08Å; I83-F251 HydrophobicContact CG2-CG 4.46Å; G84-F251 VanDerWaalsContact CA-CE2 3.48Å; E247-F251 WeakPolarHBondContact O-CB 3.42Å; E247-F251 PolarHBondContact O-N 2.97Å; V248-F251 PolarHBondContact O-N 2.7Å; F251-R253 PolarHBondContact O-N 2.81Å; F251-L254 PolarHBondContact O-N 3.15Å; F251-F255 HydrophobicContact CZ-CD2 4.18Å; F251-F255 VanDerWaalsContact O-CB 3.27Å; F251-F255 WeakPolarHBondContact O-CB 3.3Å; F251-F255 PolarHBondContact O-N 3.46Å
252R88.1Confident81.7Confident166 Ų16678.2 Ų78.263%0.62638%0.379SS*.Hα-helixtrans-57.7-47.5176.9-71.1179.4-174.5177.72.2112V248 L250 L254 F255 D256V248-R252 WeakPolarHBondContact O-CG 3.44Å; V248-R252 PolarHBondContact O-N 3.21Å; L250-R252 PolarHBondContact O-N 3.38Å; R252-L254 VanDerWaalsContact C-N 3.33Å; R252-L254 PolarHBondContact O-N 3.28Å; R252-F255 PolarHBondContact O-N 3.17Å; R252-D256 WeakPolarHBondContact O-CB 3.45Å; R252-D256 VanDerWaalsContact O-CG 3.3Å; R252-D256 PolarHBondContact O-N 2.86Å
253R87.1Confident80.8Confident163 Ų16379 Ų7962%0.61539%0.391SS*.Hα-helixtrans-60.5-39.4178.6-76.5180176.8-174.6-0.4113.2K249 L250 F251 A257K249-R253 WeakPolarHBondContact O-CG 3.45Å; K249-R253 PolarHBondContact O-N 2.97Å; L250-R253 PolarHBondContact O-N 3.49Å; F251-R253 PolarHBondContact O-N 2.81Å; R253-A257 PolarHBondContact O-N 3.42Å
254L86.4Confident79.6Confident30 Ų3086.5 Ų86.516%0.15742%0.418CS..Hα-helixtrans-76.7-39.5179.4-68.9175.3000111.9N78 V80 I83 L250 F251 R252 D256 A257 V260N78-L254 HydrophobicContact CB-CD1 4.34Å; N78-L254 HydrophobicContact CB-CD2 4.32Å; V80-L254 HydrophobicContact CG2-CB 3.83Å; V80-L254 HydrophobicContact CG2-CD1 4.47Å; I83-L254 HydrophobicContact CD1-CD1 3.53Å; L250-L254 HydrophobicContact CD1-CD1 3.99Å; L250-L254 HydrophobicContact CD1-CG 4.07Å; L250-L254 HydrophobicContact CG-CD1 3.93Å; L250-L254 HydrophobicContact CG-CG 4.38Å; L250-L254 WeakPolarHBondContact O-CG 3.46Å; L250-L254 PolarHBondContact O-N 2.85Å; F251-L254 PolarHBondContact O-N 3.15Å; R252-L254 VanDerWaalsContact C-N 3.33Å; R252-L254 PolarHBondContact O-N 3.28Å; L254-D256 VanDerWaalsContact C-N 3.35Å; L254-A257 VanDerWaalsContact O-CB 3.25Å; L254-A257 WeakPolarHBondContact O-CB 3.46Å; L254-A257 PolarHBondContact O-N 2.83Å; L254-V260 VanDerWaalsContact O-CG2 3.28Å; L254-V260 WeakPolarHBondContact O-CG2 3.48Å
255F85.7Confident78Confident116 Ų11691.7 Ų91.751%0.50947%0.465SS..Hα-helixtrans-63.8-40.7177.7-167.5-92.9000111.7V80 F251 R252 A257V80-F255 HydrophobicContact CG1-CD2 4.23Å; F251-F255 HydrophobicContact CZ-CD2 4.18Å; F251-F255 VanDerWaalsContact O-CB 3.27Å; F251-F255 WeakPolarHBondContact O-CB 3.3Å; F251-F255 PolarHBondContact O-N 3.46Å; R252-F255 PolarHBondContact O-N 3.17Å; F255-A257 PolarHBondContact O-N 3.27Å
256D84.4Confident77.4Confident96 Ų9691.8 Ų91.851%0.51347%0.465SS..THydrogen-bonded Turntrans-74.6-10.9176.9-66.9-29000113.2R252 L254 R261R252-D256 WeakPolarHBondContact O-CB 3.45Å; R252-D256 VanDerWaalsContact O-CG 3.3Å; R252-D256 PolarHBondContact O-N 2.86Å; L254-D256 VanDerWaalsContact C-N 3.35Å; D256-R261 PolarHBondContact O-NE 3.31Å; D256-R261 PolarHBondContact O-NH2 3.06Å
257A82.8Confident77Confident29 Ų2995.5 Ų95.524%0.2448%0.483CS..SBendtrans-68.1136.6-178.400000111.3R253 L254 F255 K259 V260 R261R253-A257 PolarHBondContact O-N 3.42Å; L254-A257 VanDerWaalsContact O-CB 3.25Å; L254-A257 WeakPolarHBondContact O-CB 3.46Å; L254-A257 PolarHBondContact O-N 2.83Å; F255-A257 PolarHBondContact O-N 3.27Å; A257-K259 PolarHBondContact O-N 3.48Å; A257-K259 VanDerWaalsContact O-N 3.12Å; A257-V260 PolarHBondContact O-N 3.08Å; A257-V260 VanDerWaalsContact O-N 3.07Å; A257-R261 PolarHBondContact O-N 3.2Å
258P72.8Confident76.5Confident100 Ų100100 Ų10065%0.64951%0.506SS*.Hα-helixtrans-60.5-29.7-173.819.6-30.5000113.7V260 R261 A262P258-V260 VanDerWaalsContact C-N 3.33Å; P258-V260 PolarHBondContact O-N 3.41Å; P258-R261 PolarHBondContact O-N 2.78Å; P258-A262 PolarHBondContact O-N 3.42Å
259K69.8Low75.9Confident180 Ų180103.4 Ų103.478%0.78352%0.521SS*.Hα-helixtrans-63.3-36.7177.4-67.3-172.3177.4-174.10113.2A257 T263A257-K259 PolarHBondContact O-N 3.48Å; A257-K259 VanDerWaalsContact O-N 3.12Å; K259-T263 PolarHBondContact O-N 2.63Å; K259-T263 PolarHBondContact O-OG1 3.32Å
260V65.1Low75.1Confident26 Ų26102.1 Ų102.116%0.15852%0.52CS..Hα-helixtrans-75.7-42.9179.7175.50000109.5V80 L254 A257 P258 A262 T263 Y264V80-V260 HydrophobicContact CG2-CG1 4.4Å; V80-V260 HydrophobicContact CG2-CG2 4Å; L254-V260 VanDerWaalsContact O-CG2 3.28Å; L254-V260 WeakPolarHBondContact O-CG2 3.48Å; A257-V260 PolarHBondContact O-N 3.08Å; A257-V260 VanDerWaalsContact O-N 3.07Å; P258-V260 VanDerWaalsContact C-N 3.33Å; P258-V260 PolarHBondContact O-N 3.41Å; V260-A262 PolarHBondContact O-N 3.13Å; V260-T263 PolarHBondContact O-N 3.15Å; V260-Y264 HydrophobicContact CG1-CD2 3.67Å; V260-Y264 HydrophobicContact CG1-CE2 3.84Å; V260-Y264 WeakPolarHBondContact O-CD2 3.46Å; V260-Y264 PolarHBondContact O-N 3.14Å
261R61.5Low74.3Confident156 Ų156107.8 Ų107.859%0.58955%0.548SS*.Hα-helixtrans-55.3-37.9172.4-83.5-171.7-96.3-176.8-8.1113.1D256 A257 P258 T263 A265D256-R261 PolarHBondContact O-NE 3.31Å; D256-R261 PolarHBondContact O-NH2 3.06Å; A257-R261 PolarHBondContact O-N 3.2Å; P258-R261 PolarHBondContact O-N 2.78Å; R261-T263 VanDerWaalsContact C-N 3.29Å; R261-T263 PolarHBondContact O-N 3.28Å; R261-A265 WeakPolarHBondContact O-CB 3.46Å; R261-A265 PolarHBondContact O-N 3.5Å
262A62.8Low73.3Confident79 Ų79111.1 Ų111.165%0.65357%0.568SS**Hα-helixtrans-72.9-1717700000114.6P258 V260P258-A262 PolarHBondContact O-N 3.42Å; V260-A262 PolarHBondContact O-N 3.13Å
263T67.2Low72.2Confident104 Ų104106.9 Ų106.964%0.63856%0.564SS**Hα-helixtrans-93.2-21.4179.8-49.50000112.1K259 V260 R261K259-T263 PolarHBondContact O-N 2.63Å; K259-T263 PolarHBondContact O-OG1 3.32Å; V260-T263 PolarHBondContact O-N 3.15Å; R261-T263 VanDerWaalsContact C-N 3.29Å; R261-T263 PolarHBondContact O-N 3.28Å
264Y60.6Low71Confident171 Ų171102.3 Ų102.367%0.67156%0.56SS**Hα-helixtrans-120.85.4-175.7-64.6-75.3000114.1V260V260-Y264 HydrophobicContact CG1-CD2 3.67Å; V260-Y264 HydrophobicContact CG1-CE2 3.84Å; V260-Y264 WeakPolarHBondContact O-CD2 3.46Å; V260-Y264 PolarHBondContact O-N 3.14Å
265A52.7Low69.6Low140 Ų140108.8 Ų108.8100%1.15760%0.596SS**  trans-92.90164.700000109.2R261R261-A265 WeakPolarHBondContact O-CB 3.46Å; R261-A265 PolarHBondContact O-N 3.5Å

Retrieved 265 of 265 residues in 150 ms (Link to these results)

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