A0A077Z862_TRITR Loading...

Inward rectifier potassium channel irk-1

AlphaFold DB , UniProt , Accession A0A077Z862, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 356 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
1M75.7Confident86.7Confident153 Ų15387.3 Ų87.375%0.75442%0.419SS*.  0-59.20-168178.9175.500112.1T3 T4 L5M1-T3 PolarHBondContact O-N 3Å; M1-T4 WeakPolarHBondContact O-CB 3.43Å; M1-T4 PolarHBondContact O-N 3.41Å; M1-T4 PolarHBondContact O-OG1 3.43Å; M1-L5 HydrophobicContact CE-CD1 4.43Å; M1-L5 HydrophobicContact CG-CD1 4.47Å; M1-L5 PolarHBondContact O-N 2.82Å
2F81.1Confident87.3Confident91 Ų9189.2 Ų89.240%0.39942%0.42SS..Hα-helixtrans-57.2-48.7178.8-178.9-102.5000113.1T4 L5 L6 F105 I109F2-T4 VanDerWaalsContact C-N 3.31Å; F2-T4 PolarHBondContact O-N 3.41Å; F2-L5 PolarHBondContact O-N 2.86Å; F2-L6 HydrophobicContact CD1-CD1 3.82Å; F2-L6 HydrophobicContact CE1-CD1 3.38Å; F2-L6 HydrophobicContact CE1-CG 4.29Å; F2-L6 HydrophobicContact CZ-CD1 3.82Å; F2-L6 HydrophobicContact CZ-CG 4.42Å; F2-L6 WeakPolarHBondContact O-CG 3.39Å; F2-L6 PolarHBondContact O-N 3.35Å; F2-L6 VanDerWaalsContact O-N 3.09Å; F2-F105 HydrophobicContact CD2-CE2 4.22Å; F2-F105 HydrophobicContact CD2-CZ 4.35Å; F2-I109 HydrophobicContact CD2-CD1 4.39Å; F2-I109 HydrophobicContact CD2-CG1 3.88Å; F2-I109 HydrophobicContact CE2-CG1 3.6Å
3T86Confident87.7Confident85 Ų8582.3 Ų82.352%0.52139%0.388SS..Hα-helixtrans-56.8-44.4174.5500000112.1M1 L5 L6 D7M1-T3 PolarHBondContact O-N 3Å; T3-L5 PolarHBondContact O-N 3.34Å; T3-L6 WeakPolarHBondContact O-CB 3.32Å; T3-L6 PolarHBondContact O-N 2.84Å; T3-L6 VanDerWaalsContact O-N 3.13Å; T3-D7 PolarHBondContact O-N 3.33Å
4T89.3Confident88Confident86 Ų8683 Ų8353%0.52839%0.394SS..Hα-helixtrans-58.3-47.1177.5-29.90000111.7M1 F2 L6 D7 V8M1-T4 WeakPolarHBondContact O-CB 3.43Å; M1-T4 PolarHBondContact O-N 3.41Å; M1-T4 PolarHBondContact O-OG1 3.43Å; F2-T4 VanDerWaalsContact C-N 3.31Å; F2-T4 PolarHBondContact O-N 3.41Å; T4-L6 VanDerWaalsContact C-N 3.27Å; T4-L6 PolarHBondContact O-N 3.48Å; T4-D7 PolarHBondContact O-N 3.16Å; T4-V8 WeakPolarHBondContact O-CG2 3.43Å; T4-V8 PolarHBondContact O-N 2.87Å; T4-V8 VanDerWaalsContact O-N 3.08Å
5L85.1Confident88.5Confident16 Ų1684 Ų848%0.08441%0.408CS..Hα-helixtrans-63.6-33.3177.4-74.3169.8000112.6M1 F2 T3 S13 I16 F105 I109 K113M1-L5 HydrophobicContact CE-CD1 4.43Å; M1-L5 HydrophobicContact CG-CD1 4.47Å; M1-L5 PolarHBondContact O-N 2.82Å; F2-L5 PolarHBondContact O-N 2.86Å; T3-L5 PolarHBondContact O-N 3.34Å; L5-S13 PolarHBondContact O-OG 3.41Å; L5-I16 HydrophobicContact CD2-CD1 4.18Å; L5-I16 HydrophobicContact CD2-CG2 4.12Å; L5-F105 HydrophobicContact CD1-CE1 4.07Å; L5-F105 HydrophobicContact CD1-CZ 4.39Å; L5-I109 HydrophobicContact CB-CD1 4.22Å; L5-I109 HydrophobicContact CD1-CD1 3.68Å; L5-K113 PolarHBondContact O-NZ 2.93Å
6L85.7Confident88.8Confident5 Ų582.4 Ų82.43%0.02640%0.401CS..Hα-helixtrans-68.9-37.7174.8-68.5176.2000112.5F2 T3 T4 I109 K113F2-L6 HydrophobicContact CD1-CD1 3.82Å; F2-L6 HydrophobicContact CE1-CD1 3.38Å; F2-L6 HydrophobicContact CE1-CG 4.29Å; F2-L6 HydrophobicContact CZ-CD1 3.82Å; F2-L6 HydrophobicContact CZ-CG 4.42Å; F2-L6 WeakPolarHBondContact O-CG 3.39Å; F2-L6 PolarHBondContact O-N 3.35Å; F2-L6 VanDerWaalsContact O-N 3.09Å; T3-L6 WeakPolarHBondContact O-CB 3.32Å; T3-L6 PolarHBondContact O-N 2.84Å; T3-L6 VanDerWaalsContact O-N 3.13Å; T4-L6 VanDerWaalsContact C-N 3.27Å; T4-L6 PolarHBondContact O-N 3.48Å; L6-I109 HydrophobicContact CD2-CG2 3.85Å; L6-K113 HydrophobicContact CD2-CB 3.94Å; L6-K113 PolarHBondContact O-NZ 3.32Å
7D87.1Confident89Confident88 Ų8878.3 Ų78.347%0.47138%0.381SS..Hα-helixtrans-84.4-20-175.9-70.6-36.7000114.9T3 T4 R116 K118T3-D7 PolarHBondContact O-N 3.33Å; T4-D7 PolarHBondContact O-N 3.16Å; D7-R116 IonicContact OD1-CZ 3.88Å; D7-R116 IonicContact OD1-NH1 3.24Å; D7-R116 PolarHBondContact OD1-NH1 3.47Å; D7-R116 IonicContact OD2-NH1 3.32Å; D7-K118 IonicContact OD1-NZ 3.52Å
8V89.8Confident89.4Confident43 Ų4379.9 Ų79.926%0.26139%0.39SS..SBendtrans-56146.1172.6166.40000111.3T4 Y12 K113T4-V8 WeakPolarHBondContact O-CG2 3.43Å; T4-V8 PolarHBondContact O-N 2.87Å; T4-V8 VanDerWaalsContact O-N 3.08Å; V8-Y12 HydrophobicContact CG1-CD2 4.3Å; V8-Y12 HydrophobicContact CG1-CG 4.27Å; V8-K113 WeakPolarHBondContact O-CE 3.5Å; V8-K113 PolarHBondContact O-NZ 3.34Å
9K91Very high89.7Confident142 Ų14277.6 Ų77.662%0.61739%0.39SS*.  trans-63.9147.7177.6-63-176.5177.5-178.10111.1R11 Y12 S13K9-R11 VanDerWaalsContact C-N 3.25Å; K9-R11 HydrophobicContact CB-CG 4.29Å; K9-R11 PolarHBondContact O-N 3.35Å; K9-R11 VanDerWaalsContact O-N 3.11Å; K9-Y12 HydrophobicContact CB-CD2 3.97Å; K9-Y12 PolarHBondContact O-N 3.01Å; K9-S13 PolarHBondContact O-N 2.81Å
10W90.2Very high89.9Confident104 Ų10478.1 Ų78.139%0.39439%0.389SS..Hα-helixtrans-47.6-44.2-179.8-88.7111.7000113.9Y12 S13 L14 V110 K113 L114W10-Y12 VanDerWaalsContact C-N 3.28Å; W10-Y12 PolarHBondContact O-N 3.06Å; W10-S13 PolarHBondContact O-N 2.84Å; W10-S13 VanDerWaalsContact O-N 3.15Å; W10-L14 WeakPolarHBondContact O-CG 3.48Å; W10-L14 PolarHBondContact O-N 3.16Å; W10-V110 HydrophobicContact CH2-CG1 4.35Å; W10-K113 HydrophobicContact CD2-CD 3.94Å; W10-K113 HydrophobicContact CE3-CD 4.08Å; W10-K113 HydrophobicContact CH2-CB 4.25Å; W10-K113 HydrophobicContact CH2-CD 3.79Å; W10-K113 HydrophobicContact CH2-CG 4.27Å; W10-K113 HydrophobicContact CZ2-CB 4.11Å; W10-K113 HydrophobicContact CZ2-CD 3.62Å; W10-K113 HydrophobicContact CZ2-CG 3.81Å; W10-K113 HydrophobicContact CZ3-CD 4.01Å; W10-L114 HydrophobicContact CH2-CD2 3.95Å; W10-L114 HydrophobicContact CH2-CG 3.94Å; W10-L114 HydrophobicContact CZ2-CD2 3.59Å; W10-L114 HydrophobicContact CZ2-CG 3.9Å
11R92.7Very high90.2Very high147 Ų14776.3 Ų76.356%0.55538%0.379SS*.Hα-helixtrans-54.6-42.417866.9-177.5178.8104.5-8.8113.4K9 V15K9-R11 VanDerWaalsContact C-N 3.25Å; K9-R11 HydrophobicContact CB-CG 4.29Å; K9-R11 PolarHBondContact O-N 3.35Å; K9-R11 VanDerWaalsContact O-N 3.11Å; R11-V15 VanDerWaalsContact O-CG2 3.31Å; R11-V15 WeakPolarHBondContact O-CG2 3.35Å; R11-V15 PolarHBondContact O-N 3.29Å
12Y93.9Very high91.1Very high110 Ų11072.1 Ų72.143%0.43136%0.362SS..Hα-helixtrans-78.5-36.7179.9-64.3-56.3000111.2V8 K9 W10 L14 V15 I16V8-Y12 HydrophobicContact CG1-CD2 4.3Å; V8-Y12 HydrophobicContact CG1-CG 4.27Å; K9-Y12 HydrophobicContact CB-CD2 3.97Å; K9-Y12 PolarHBondContact O-N 3.01Å; W10-Y12 VanDerWaalsContact C-N 3.28Å; W10-Y12 PolarHBondContact O-N 3.06Å; Y12-L14 VanDerWaalsContact C-N 3.32Å; Y12-L14 PolarHBondContact O-N 3.22Å; Y12-V15 PolarHBondContact O-N 3.46Å; Y12-I16 WeakPolarHBondContact O-CB 3.36Å; Y12-I16 WeakPolarHBondContact O-CD1 3.27Å; Y12-I16 WeakPolarHBondContact O-CG1 3.5Å; Y12-I16 PolarHBondContact O-N 3.12Å
13S92.1Very high91.9Very high0 Ų073.4 Ų73.40%037%0.372CS..Hα-helixtrans-58.7-44.2173.7-63.60000111.6L5 K9 W10 I16 F17 K113L5-S13 PolarHBondContact O-OG 3.41Å; K9-S13 PolarHBondContact O-N 2.81Å; W10-S13 PolarHBondContact O-N 2.84Å; W10-S13 VanDerWaalsContact O-N 3.15Å; S13-I16 PolarHBondContact O-N 3.5Å; S13-F17 VanDerWaalsContact O-CD2 3.27Å; S13-F17 WeakPolarHBondContact O-CD2 3.34Å; S13-F17 WeakPolarHBondContact O-CG 3.49Å; S13-F17 PolarHBondContact O-N 2.94Å; S13-K113 PolarHBondContact OG-NZ 2.77Å
14L92.1Very high92.4Very high92 Ų9269.6 Ų69.648%0.48235%0.349SS..Hα-helixtrans-62.6-45.3176.9-69174.9000112.2W10 Y12 I16 F17 I18W10-L14 WeakPolarHBondContact O-CG 3.48Å; W10-L14 PolarHBondContact O-N 3.16Å; Y12-L14 VanDerWaalsContact C-N 3.32Å; Y12-L14 PolarHBondContact O-N 3.22Å; L14-I16 VanDerWaalsContact C-N 3.32Å; L14-I16 PolarHBondContact O-N 2.71Å; L14-F17 PolarHBondContact O-N 3.44Å; L14-I18 VanDerWaalsContact O-CG1 3.31Å; L14-I18 WeakPolarHBondContact O-CG1 3.34Å; L14-I18 PolarHBondContact O-N 2.95Å
15V95.1Very high92.8Very high98 Ų9867.8 Ų67.859%0.59433%0.333SS*.Hα-helixtrans-60.3-42.8176.2171.30000111.3R11 Y12 G19R11-V15 VanDerWaalsContact O-CG2 3.31Å; R11-V15 WeakPolarHBondContact O-CG2 3.35Å; R11-V15 PolarHBondContact O-N 3.29Å; Y12-V15 PolarHBondContact O-N 3.46Å; V15-G19 PolarHBondContact O-N 2.94Å
16I93.5Very high93.4Very high58 Ų5869.4 Ų69.430%0.29734%0.343SS..Hα-helixtrans-62.5-44.6177.3-70.4165000110.9L5 Y12 S13 L14 G19 F20L5-I16 HydrophobicContact CD2-CD1 4.18Å; L5-I16 HydrophobicContact CD2-CG2 4.12Å; Y12-I16 WeakPolarHBondContact O-CB 3.36Å; Y12-I16 WeakPolarHBondContact O-CD1 3.27Å; Y12-I16 WeakPolarHBondContact O-CG1 3.5Å; Y12-I16 PolarHBondContact O-N 3.12Å; S13-I16 PolarHBondContact O-N 3.5Å; L14-I16 VanDerWaalsContact C-N 3.32Å; L14-I16 PolarHBondContact O-N 2.71Å; I16-G19 PolarHBondContact O-N 3.36Å; I16-F20 HydrophobicContact CG2-CD2 3.63Å; I16-F20 HydrophobicContact CG2-CE2 3.44Å; I16-F20 VanDerWaalsContact CG2-CE2 3.44Å; I16-F20 VanDerWaalsContact O-CD2 3.22Å; I16-F20 WeakPolarHBondContact O-CD2 3.28Å; I16-F20 PolarHBondContact O-N 3.41Å
17F93.2Very high94Very high13 Ų1374.8 Ų74.86%0.05737%0.367CS..Hα-helixtrans-65.2-45179.3-61.3-27000112.6S13 L14 G19 F20 F21 I106 I109 V110S13-F17 VanDerWaalsContact O-CD2 3.27Å; S13-F17 WeakPolarHBondContact O-CD2 3.34Å; S13-F17 WeakPolarHBondContact O-CG 3.49Å; S13-F17 PolarHBondContact O-N 2.94Å; L14-F17 PolarHBondContact O-N 3.44Å; F17-G19 VanDerWaalsContact C-N 3.28Å; F17-G19 PolarHBondContact O-N 3.46Å; F17-F20 PolarHBondContact O-N 3.36Å; F17-F21 VanDerWaalsContact O-CD2 3.28Å; F17-F21 WeakPolarHBondContact O-CD2 3.41Å; F17-F21 PolarHBondContact O-N 2.89Å; F17-F21 VanDerWaalsContact O-N 3.07Å; F17-I106 HydrophobicContact CB-CD1 4.28Å; F17-I106 HydrophobicContact CB-CG2 4.31Å; F17-I106 HydrophobicContact CD1-CD1 4.22Å; F17-I106 HydrophobicContact CD1-CG1 3.93Å; F17-I106 HydrophobicContact CD1-CG2 3.98Å; F17-I106 HydrophobicContact CD2-CG2 3.93Å; F17-I106 HydrophobicContact CE1-CG1 4.32Å; F17-I106 HydrophobicContact CE1-CG2 4.25Å; F17-I106 HydrophobicContact CE2-CG2 4.21Å; F17-I106 HydrophobicContact CG-CD1 4.45Å; F17-I106 HydrophobicContact CG-CG1 4.45Å; F17-I106 HydrophobicContact CG-CG2 3.82Å; F17-I106 HydrophobicContact CZ-CG2 4.36Å; F17-I109 HydrophobicContact CE1-CD1 4.44Å; F17-I109 HydrophobicContact CE1-CG2 4.33Å; F17-I109 HydrophobicContact CZ-CB 4.19Å; F17-I109 HydrophobicContact CZ-CG2 3.7Å; F17-V110 HydrophobicContact CD2-CG2 4.26Å; F17-V110 HydrophobicContact CE2-CG2 3.58Å; F17-V110 HydrophobicContact CZ-CG2 4.23Å
18I94.7Very high94.5Very high107 Ų10771 Ų7155%0.54935%0.346SS..Hα-helixtrans-59.3-44.7174.2-66.9166.4000109.8L14 F20 F21 V22L14-I18 VanDerWaalsContact O-CG1 3.31Å; L14-I18 WeakPolarHBondContact O-CG1 3.34Å; L14-I18 PolarHBondContact O-N 2.95Å; I18-F20 PolarHBondContact O-N 3.05Å; I18-F21 PolarHBondContact O-N 3.19Å; I18-V22 HydrophobicContact CG2-CG2 4.19Å; I18-V22 WeakPolarHBondContact O-CG2 3.46Å; I18-V22 PolarHBondContact O-N 2.9Å
19G95.4Very high94.8Very high37 Ų3769 Ų6938%0.38133%0.333SS..Hα-helixtrans-57.5-45.8176.500000113V15 I16 F17 L23V15-G19 PolarHBondContact O-N 2.94Å; I16-G19 PolarHBondContact O-N 3.36Å; F17-G19 VanDerWaalsContact C-N 3.28Å; F17-G19 PolarHBondContact O-N 3.46Å; G19-L23 WeakPolarHBondContact O-CB 3.37Å; G19-L23 PolarHBondContact O-N 3.44Å
20F94.5Very high95.1Very high86 Ų8665.7 Ų65.738%0.37733%0.325SS..Hα-helixtrans-61.5-44.3176.7-85.5-64.2000112.6I16 F17 I18 S24I16-F20 HydrophobicContact CG2-CD2 3.63Å; I16-F20 HydrophobicContact CG2-CE2 3.44Å; I16-F20 VanDerWaalsContact CG2-CE2 3.44Å; I16-F20 VanDerWaalsContact O-CD2 3.22Å; I16-F20 WeakPolarHBondContact O-CD2 3.28Å; I16-F20 PolarHBondContact O-N 3.41Å; F17-F20 PolarHBondContact O-N 3.36Å; I18-F20 PolarHBondContact O-N 3.05Å; F20-S24 WeakPolarHBondContact O-CB 3.4Å; F20-S24 PolarHBondContact O-N 2.94Å; F20-S24 PolarHBondContact O-OG 3.44Å
21F95.5Very high95.5Very high42 Ų4263.5 Ų63.518%0.18432%0.321CS..Hα-helixtrans-63.3-52.3177.6-81.4-59.1000111.8F17 I18 L23 S24 W25 I102 I106F17-F21 VanDerWaalsContact O-CD2 3.28Å; F17-F21 WeakPolarHBondContact O-CD2 3.41Å; F17-F21 PolarHBondContact O-N 2.89Å; F17-F21 VanDerWaalsContact O-N 3.07Å; I18-F21 PolarHBondContact O-N 3.19Å; F21-L23 VanDerWaalsContact C-N 3.32Å; F21-L23 PolarHBondContact O-N 3.41Å; F21-S24 PolarHBondContact O-N 3.39Å; F21-S24 VanDerWaalsContact O-N 3.15Å; F21-S24 PolarHBondContact O-OG 2.86Å; F21-W25 HydrophobicContact CB-CH2 3.98Å; F21-W25 HydrophobicContact CB-CZ2 3.63Å; F21-W25 HydrophobicContact CD1-CZ2 4.17Å; F21-W25 HydrophobicContact CG-CZ2 4.11Å; F21-W25 VanDerWaalsContact O-CD2 3.28Å; F21-W25 PolarHBondContact O-N 3.18Å; F21-I102 HydrophobicContact CD1-CG2 4.33Å; F21-I102 HydrophobicContact CE1-CG2 3.95Å; F21-I102 HydrophobicContact CZ-CG2 4.36Å; F21-I106 HydrophobicContact CD2-CD1 4.06Å; F21-I106 HydrophobicContact CE1-CD1 4.45Å; F21-I106 HydrophobicContact CE2-CD1 3.49Å; F21-I106 VanDerWaalsContact CE2-CD1 3.49Å; F21-I106 HydrophobicContact CZ-CD1 3.72Å
22V96.1Very high95.6Very high64 Ų6456.5 Ų56.539%0.38830%0.295SS..Hα-helixtrans-60.4-42-179.8173.60000111.4I18 W25 T26I18-V22 HydrophobicContact CG2-CG2 4.19Å; I18-V22 WeakPolarHBondContact O-CG2 3.46Å; I18-V22 PolarHBondContact O-N 2.9Å; V22-W25 HydrophobicContact CG2-CE3 4.18Å; V22-W25 HydrophobicContact CG2-CZ3 3.96Å; V22-W25 PolarHBondContact O-N 3.5Å; V22-T26 WeakPolarHBondContact O-CB 3.21Å; V22-T26 PolarHBondContact O-N 3.47Å; V22-T26 PolarHBondContact O-OG1 3.43Å
23L97Very high95.7Very high119 Ų11955.8 Ų55.862%0.62329%0.292SS*.Hα-helixtrans-63.8-42.6177.2-174.166.6000111.4G19 F21 T26 F27G19-L23 WeakPolarHBondContact O-CB 3.37Å; G19-L23 PolarHBondContact O-N 3.44Å; F21-L23 VanDerWaalsContact C-N 3.32Å; F21-L23 PolarHBondContact O-N 3.41Å; L23-T26 PolarHBondContact O-N 3.48Å; L23-F27 VanDerWaalsContact O-CB 3.31Å; L23-F27 WeakPolarHBondContact O-CB 3.35Å; L23-F27 PolarHBondContact O-N 3.4Å
24S97.1Very high95.9Very high4 Ų460 Ų603%0.02831%0.314CS..Hα-helixtrans-62.9-45.9177.471.10000112F20 F21 T26 F27 F28 Q71F20-S24 WeakPolarHBondContact O-CB 3.4Å; F20-S24 PolarHBondContact O-N 2.94Å; F20-S24 PolarHBondContact O-OG 3.44Å; F21-S24 PolarHBondContact O-N 3.39Å; F21-S24 VanDerWaalsContact O-N 3.15Å; F21-S24 PolarHBondContact O-OG 2.86Å; S24-T26 VanDerWaalsContact C-N 3.32Å; S24-T26 PolarHBondContact O-N 3.3Å; S24-F27 PolarHBondContact O-N 2.82Å; S24-F28 VanDerWaalsContact O-CD2 3.31Å; S24-F28 WeakPolarHBondContact O-CD2 3.45Å; S24-F28 PolarHBondContact O-N 2.96Å; S24-F28 VanDerWaalsContact O-N 3.07Å; S24-Q71 PolarHBondContact OG-NE2 2.9Å
25W97.2Very high96.1Very high49 Ų4956.8 Ų56.819%0.18630%0.297CS..Hα-helixtrans-62.2-42.6177.7-55.2-27.4000111.5F21 V22 A29 F64 S67 V68 H72F21-W25 HydrophobicContact CB-CH2 3.98Å; F21-W25 HydrophobicContact CB-CZ2 3.63Å; F21-W25 HydrophobicContact CD1-CZ2 4.17Å; F21-W25 HydrophobicContact CG-CZ2 4.11Å; F21-W25 VanDerWaalsContact O-CD2 3.28Å; F21-W25 PolarHBondContact O-N 3.18Å; V22-W25 HydrophobicContact CG2-CE3 4.18Å; V22-W25 HydrophobicContact CG2-CZ3 3.96Å; V22-W25 PolarHBondContact O-N 3.5Å; W25-A29 WeakPolarHBondContact O-CB 3.18Å; W25-A29 PolarHBondContact O-N 3.33Å; W25-F64 HydrophobicContact CB-CE2 3.81Å; W25-F64 HydrophobicContact CB-CZ 4.07Å; W25-F64 HydrophobicContact CE3-CZ 4.14Å; W25-S67 PolarHBondContact O-OG 3.14Å; W25-S67 VanDerWaalsContact O-OG 3.11Å; W25-V68 HydrophobicContact CB-CG2 3.97Å; W25-V68 HydrophobicContact CD2-CG2 3.78Å; W25-V68 HydrophobicContact CE3-CG2 3.94Å; W25-V68 HydrophobicContact CG-CG2 3.8Å; W25-H72 AromaticContact CE2-CE1 3.42Å; W25-H72 VanDerWaalsContact CE2-CE1 3.42Å; W25-H72 AromaticContact CE2-ND1 3.89Å; W25-H72 AromaticContact CZ2-CE1 3.18Å; W25-H72 WeakPolarHBondContact CZ2-CE1 3.45Å; W25-H72 AromaticContact CZ2-ND1 3.89Å; W25-H72 AromaticContact CZ2-NE2 3.81Å; W25-H72 AromaticContact NE1-CE1 3.2Å; W25-H72 PolarHBondContact NE1-CE1 2.9Å; W25-H72 AromaticContact NE1-ND1 3.51Å
26T97.5Very high96Very high50 Ų5052.1 Ų52.131%0.30727%0.269SS..Hα-helixtrans-66-42.2179.3-51.30000110.9V22 L23 S24 A29 V30V22-T26 WeakPolarHBondContact O-CB 3.21Å; V22-T26 PolarHBondContact O-N 3.47Å; V22-T26 PolarHBondContact O-OG1 3.43Å; L23-T26 PolarHBondContact O-N 3.48Å; S24-T26 VanDerWaalsContact C-N 3.32Å; S24-T26 PolarHBondContact O-N 3.3Å; T26-A29 PolarHBondContact O-N 3.11Å; T26-V30 VanDerWaalsContact O-CG2 3.29Å; T26-V30 WeakPolarHBondContact O-CG2 3.12Å; T26-V30 PolarHBondContact O-N 3.15Å
27F98Very high96Very high118 Ų11856.9 Ų56.952%0.51828%0.283SS..Hα-helixtrans-60.4-50.1178.1175.3-101.1000112L23 S24 V30 L31L23-F27 VanDerWaalsContact O-CB 3.31Å; L23-F27 WeakPolarHBondContact O-CB 3.35Å; L23-F27 PolarHBondContact O-N 3.4Å; S24-F27 PolarHBondContact O-N 2.82Å; F27-V30 PolarHBondContact O-N 3.35Å; F27-L31 HydrophobicContact CD1-CD1 4.22Å; F27-L31 HydrophobicContact CE1-CD1 3.6Å; F27-L31 HydrophobicContact CE1-CG 4.41Å; F27-L31 HydrophobicContact CZ-CD1 3.86Å; F27-L31 HydrophobicContact CZ-CG 4.4Å; F27-L31 PolarHBondContact O-N 2.97Å; F27-L31 VanDerWaalsContact O-N 3.12Å
28F97.5Very high96Very high8 Ų862 Ų624%0.03531%0.31CS..Hα-helixtrans-69.1-35.4177.6-76.5-72.7000112.7S24 V30 L31 Y32 S67 V91 Q95 Y98S24-F28 VanDerWaalsContact O-CD2 3.31Å; S24-F28 WeakPolarHBondContact O-CD2 3.45Å; S24-F28 PolarHBondContact O-N 2.96Å; S24-F28 VanDerWaalsContact O-N 3.07Å; F28-V30 VanDerWaalsContact C-N 3.3Å; F28-V30 PolarHBondContact O-N 2.85Å; F28-L31 HydrophobicContact CD1-CD1 4.06Å; F28-L31 HydrophobicContact CE1-CD1 4.3Å; F28-L31 PolarHBondContact O-N 3.13Å; F28-L31 VanDerWaalsContact O-N 3.16Å; F28-Y32 HydrophobicContact CB-CE2 4.33Å; F28-Y32 WeakPolarHBondContact O-CD2 3.42Å; F28-Y32 PolarHBondContact O-N 3.39Å; F28-S67 WeakPolarHBondContact CB-OG 3.42Å; F28-V91 HydrophobicContact CD1-CG1 3.92Å; F28-V91 HydrophobicContact CE1-CG1 4.41Å; F28-Q95 HydrophobicContact CB-CG 4.28Å; F28-Q95 HydrophobicContact CD1-CB 3.64Å; F28-Q95 HydrophobicContact CD1-CG 3.87Å; F28-Q95 HydrophobicContact CD2-CB 4.32Å; F28-Q95 HydrophobicContact CD2-CG 3.76Å; F28-Q95 HydrophobicContact CE1-CB 3.6Å; F28-Q95 HydrophobicContact CE1-CG 4.13Å; F28-Q95 HydrophobicContact CE2-CB 4.31Å; F28-Q95 HydrophobicContact CE2-CG 4.05Å; F28-Q95 HydrophobicContact CG-CB 4.02Å; F28-Q95 HydrophobicContact CG-CG 3.69Å; F28-Q95 HydrophobicContact CZ-CB 3.96Å; F28-Q95 HydrophobicContact CZ-CG 4.22Å; F28-Y98 AromaticContact CE2-CD1 3.6Å; F28-Y98 HydrophobicContact CE2-CD1 3.6Å; F28-Y98 HydrophobicContact CE2-CE1 4.19Å; F28-Y98 HydrophobicContact CE2-CG 4.28Å; F28-Y98 HydrophobicContact CZ-CD1 4.11Å; F28-Y98 HydrophobicContact CZ-CG 4.35Å
29A97.2Very high95.9Very high0 Ų060.4 Ų60.40%030%0.3CS..Hα-helixtrans-59.3-40.9172.500000112.1W25 T26 Y32 Y33 F60 I63 F64 S67W25-A29 WeakPolarHBondContact O-CB 3.18Å; W25-A29 PolarHBondContact O-N 3.33Å; T26-A29 PolarHBondContact O-N 3.11Å; A29-Y32 PolarHBondContact O-N 2.98Å; A29-Y33 VanDerWaalsContact O-CB 3.28Å; A29-Y33 WeakPolarHBondContact O-CB 3.42Å; A29-Y33 PolarHBondContact O-N 2.87Å; A29-F60 HydrophobicContact CB-CE2 4.25Å; A29-F60 HydrophobicContact CB-CZ 4.15Å; A29-I63 HydrophobicContact CB-CG2 4.36Å; A29-I63 VanDerWaalsContact O-CG2 3.27Å; A29-I63 WeakPolarHBondContact O-CG2 3.49Å; A29-F64 HydrophobicContact CB-CB 4.17Å; A29-F64 HydrophobicContact CB-CD2 3.93Å; A29-S67 PolarHBondContact N-OG 3.35Å
30V97.6Very high95.7Very high74 Ų7459.5 Ų59.545%0.44829%0.291SS..Hα-helixtrans-64.7-40.1174.91700000111.5T26 F27 F28 Y33 L34 F60T26-V30 VanDerWaalsContact O-CG2 3.29Å; T26-V30 WeakPolarHBondContact O-CG2 3.12Å; T26-V30 PolarHBondContact O-N 3.15Å; F27-V30 PolarHBondContact O-N 3.35Å; F28-V30 VanDerWaalsContact C-N 3.3Å; F28-V30 PolarHBondContact O-N 2.85Å; V30-Y33 PolarHBondContact O-N 2.83Å; V30-L34 WeakPolarHBondContact O-CB 3.12Å; V30-L34 PolarHBondContact O-N 2.7Å; V30-F60 HydrophobicContact CG2-CE2 4.02Å; V30-F60 HydrophobicContact CG2-CZ 4.26Å
31L97.1Very high95.6Very high58 Ų5855.7 Ų55.730%0.30428%0.275SS..Hα-helixtrans-63.5-45.7175.8-69.3178.9000112.2F27 F28 Y33 L34 I35 V91F27-L31 HydrophobicContact CD1-CD1 4.22Å; F27-L31 HydrophobicContact CE1-CD1 3.6Å; F27-L31 HydrophobicContact CE1-CG 4.41Å; F27-L31 HydrophobicContact CZ-CD1 3.86Å; F27-L31 HydrophobicContact CZ-CG 4.4Å; F27-L31 PolarHBondContact O-N 2.97Å; F27-L31 VanDerWaalsContact O-N 3.12Å; F28-L31 HydrophobicContact CD1-CD1 4.06Å; F28-L31 HydrophobicContact CE1-CD1 4.3Å; F28-L31 PolarHBondContact O-N 3.13Å; F28-L31 VanDerWaalsContact O-N 3.16Å; L31-Y33 VanDerWaalsContact C-N 3.35Å; L31-L34 PolarHBondContact O-N 3.45Å; L31-I35 WeakPolarHBondContact O-CG1 3.33Å; L31-I35 PolarHBondContact O-N 3.36Å; L31-V91 HydrophobicContact CB-CG1 4.34Å; L31-V91 HydrophobicContact CD1-CG1 4.48Å
32Y96.5Very high95.2Very high0 Ų055.7 Ų55.70%028%0.276CS..Hα-helixtrans-64.1-40.6175.3-71.1-55.2000112.3F28 A29 L34 I35 C36 I54 I63 F66 V91 L92 Q95F28-Y32 HydrophobicContact CB-CE2 4.33Å; F28-Y32 WeakPolarHBondContact O-CD2 3.42Å; F28-Y32 PolarHBondContact O-N 3.39Å; A29-Y32 PolarHBondContact O-N 2.98Å; Y32-L34 VanDerWaalsContact C-N 3.31Å; Y32-L34 PolarHBondContact O-N 2.95Å; Y32-I35 PolarHBondContact O-N 3.16Å; Y32-C36 WeakPolarHBondContact O-CB 3.29Å; Y32-C36 PolarHBondContact O-N 3.03Å; Y32-I54 HydrophobicContact CD1-CD1 3.7Å; Y32-I54 HydrophobicContact CE1-CD1 4.37Å; Y32-I54 HydrophobicContact CG-CD1 4.03Å; Y32-I63 VanDerWaalsContact CB-CG2 3.46Å; Y32-I63 HydrophobicContact CG-CG2 4.48Å; Y32-F66 HydrophobicContact CD1-CE1 4.39Å; Y32-F66 HydrophobicContact CD2-CD1 4.12Å; Y32-F66 HydrophobicContact CD2-CE1 4.32Å; Y32-F66 HydrophobicContact CE1-CE1 4.05Å; Y32-F66 HydrophobicContact CE2-CD1 4.09Å; Y32-F66 AromaticContact CE2-CE1 3.97Å; Y32-F66 HydrophobicContact CE2-CE1 3.97Å; Y32-F66 HydrophobicContact CG-CD1 4.46Å; Y32-F66 AromaticContact CZ-CE1 3.83Å; Y32-V91 HydrophobicContact CD1-CG1 4.08Å; Y32-V91 HydrophobicContact CE1-CB 3.9Å; Y32-V91 HydrophobicContact CE1-CG1 3.54Å; Y32-V91 HydrophobicContact CE2-CG1 4.26Å; Y32-L92 WeakPolarHBondContact OH-CA 3.46Å; Y32-L92 PolarHBondContact OH-N 3.23Å; Y32-Q95 VanDerWaalsContact CZ-OE1 3.25Å; Y32-Q95 PolarHBondContact OH-OE1 3.37Å
33Y95.8Very high94.9Very high94 Ų9461.5 Ų61.537%0.36930%0.296SS..Hα-helixtrans-59.2-44.6175.5-178.1-89.3000111.2A29 V30 L31 I35 C36 W37 L42 F60 I63A29-Y33 VanDerWaalsContact O-CB 3.28Å; A29-Y33 WeakPolarHBondContact O-CB 3.42Å; A29-Y33 PolarHBondContact O-N 2.87Å; V30-Y33 PolarHBondContact O-N 2.83Å; L31-Y33 VanDerWaalsContact C-N 3.35Å; Y33-I35 PolarHBondContact O-N 3.25Å; Y33-C36 PolarHBondContact O-N 2.89Å; Y33-W37 WeakPolarHBondContact O-CB 3.49Å; Y33-W37 PolarHBondContact O-N 3.39Å; Y33-L42 HydrophobicContact CD2-CD1 4.02Å; Y33-L42 HydrophobicContact CE2-CD1 3.55Å; Y33-F60 HydrophobicContact CD2-CB 4.29Å; Y33-F60 AromaticContact CD2-CD2 3.92Å; Y33-F60 HydrophobicContact CD2-CD2 3.92Å; Y33-F60 HydrophobicContact CE2-CB 4.41Å; Y33-F60 HydrophobicContact CG-CD2 4.1Å; Y33-I63 VanDerWaalsContact CA-CD1 3.49Å; Y33-I63 HydrophobicContact CD2-CD1 3.84Å; Y33-I63 HydrophobicContact CG-CD1 4.32Å
34L95.8Very high94.5Very high88 Ų8858.3 Ų58.346%0.46128%0.28SS..Hα-helixtrans-62.2-41.6176-170117000111.8V30 L31 Y32 W37 L38V30-L34 WeakPolarHBondContact O-CB 3.12Å; V30-L34 PolarHBondContact O-N 2.7Å; L31-L34 PolarHBondContact O-N 3.45Å; Y32-L34 VanDerWaalsContact C-N 3.31Å; Y32-L34 PolarHBondContact O-N 2.95Å; L34-W37 PolarHBondContact O-N 3.11Å; L34-L38 HydrophobicContact CD2-CD1 3.67Å; L34-L38 HydrophobicContact CG-CD1 4.01Å; L34-L38 HydrophobicContact CG-CG 4.45Å; L34-L38 WeakPolarHBondContact O-CB 3.32Å; L34-L38 VanDerWaalsContact O-CG 3.23Å; L34-L38 WeakPolarHBondContact O-CG 3.38Å; L34-L38 PolarHBondContact O-N 3.2Å
35I95.1Very high93.9Very high26 Ų2663 Ų6313%0.13330%0.298CS..Hα-helixtrans-63.5-51.3176.9-69.2168000111.1L31 Y32 Y33 W37 L38 H39 A87 A88 V91L31-I35 WeakPolarHBondContact O-CG1 3.33Å; L31-I35 PolarHBondContact O-N 3.36Å; Y32-I35 PolarHBondContact O-N 3.16Å; Y33-I35 PolarHBondContact O-N 3.25Å; I35-W37 VanDerWaalsContact C-N 3.29Å; I35-W37 PolarHBondContact O-N 2.97Å; I35-L38 PolarHBondContact O-N 2.94Å; I35-H39 WeakPolarHBondContact O-CB 3.4Å; I35-H39 PolarHBondContact O-N 2.9Å; I35-A87 HydrophobicContact CD1-CB 4.37Å; I35-A88 HydrophobicContact CG2-CB 4.29Å; I35-V91 HydrophobicContact CD1-CB 4.29Å; I35-V91 HydrophobicContact CD1-CG2 3.57Å
36C94Very high93.3Very high0 Ų067.8 Ų67.80%033%0.327CS..Hα-helixtrans-63.3-35.7179.1-74.30000112Y32 Y33 G40 D41 L42 I63Y32-C36 WeakPolarHBondContact O-CB 3.29Å; Y32-C36 PolarHBondContact O-N 3.03Å; Y33-C36 PolarHBondContact O-N 2.89Å; C36-G40 PolarHBondContact O-N 3.21Å; C36-D41 HydrophobicContact CB-CB 4.06Å; C36-D41 PolarHBondContact O-N 3.44Å; C36-D41 PolarHBondContact SG-OD2 3.46Å; C36-L42 HydrophobicContact CB-CG 4.41Å; C36-I63 HydrophobicContact CB-CD1 4.28Å
37W93.3Very high92.9Very high158 Ų15869.2 Ų69.260%0.59833%0.333SS*.Hα-helixtrans-68.1-45.9175.5-179.172000112.4Y33 L34 I35 G40 L42Y33-W37 WeakPolarHBondContact O-CB 3.49Å; Y33-W37 PolarHBondContact O-N 3.39Å; L34-W37 PolarHBondContact O-N 3.11Å; I35-W37 VanDerWaalsContact C-N 3.29Å; I35-W37 PolarHBondContact O-N 2.97Å; W37-G40 PolarHBondContact O-N 2.93Å; W37-L42 HydrophobicContact CB-CD1 4.13Å
38L94Very high92.1Very high119 Ų11972 Ų7262%0.62335%0.352SS*.Hα-helixtrans-67.5-35.1177.9-73.1173.3000112.7L34 I35 G40L34-L38 HydrophobicContact CD2-CD1 3.67Å; L34-L38 HydrophobicContact CG-CD1 4.01Å; L34-L38 HydrophobicContact CG-CG 4.45Å; L34-L38 WeakPolarHBondContact O-CB 3.32Å; L34-L38 VanDerWaalsContact O-CG 3.23Å; L34-L38 WeakPolarHBondContact O-CG 3.38Å; L34-L38 PolarHBondContact O-N 3.2Å; I35-L38 PolarHBondContact O-N 2.94Å; L38-G40 VanDerWaalsContact C-N 3.32Å
39H92.1Very high91.5Very high74 Ų7479.9 Ų79.934%0.34339%0.389SS..Hα-helixtrans-71.5-29.3175.4-168.7-106.4000111.8I35 D41 W50I35-H39 WeakPolarHBondContact O-CB 3.4Å; I35-H39 PolarHBondContact O-N 2.9Å; H39-D41 IonicContact CE1-OD1 3.6Å; H39-D41 IonicContact CG-OD1 3.71Å; H39-D41 IonicContact ND1-OD1 2.7Å; H39-D41 PolarHBondContact ND1-OD1 3.38Å; H39-D41 IonicContact ND1-OD2 3.85Å; H39-W50 AromaticContact CE1-CZ2 3.66Å; H39-W50 AromaticContact ND1-CZ2 3.57Å; H39-W50 WeakPolarHBondContact O-CZ2 3.29Å
40G92Very high91.2Very high18 Ų1883.6 Ų83.619%0.18640%0.403CS..THydrogen-bonded Turntrans1016-179.300000114.6C36 W37 L38 L42 K43 N44C36-G40 PolarHBondContact O-N 3.21Å; W37-G40 PolarHBondContact O-N 2.93Å; L38-G40 VanDerWaalsContact C-N 3.32Å; G40-L42 VanDerWaalsContact C-N 3.28Å; G40-L42 PolarHBondContact O-N 2.89Å; G40-K43 PolarHBondContact O-N 3.05Å; G40-K43 VanDerWaalsContact O-N 3.07Å; G40-N44 PolarHBondContact O-N 2.83Å
41D90.9Very high90.8Very high7 Ų784.5 Ų84.54%0.03741%0.405CS..THydrogen-bonded Turntrans-56.2-40-176.1-67-15.4000113C36 H39 K43 Y45 W50 P52 C53C36-D41 HydrophobicContact CB-CB 4.06Å; C36-D41 PolarHBondContact O-N 3.44Å; C36-D41 PolarHBondContact SG-OD2 3.46Å; H39-D41 IonicContact CE1-OD1 3.6Å; H39-D41 IonicContact CG-OD1 3.71Å; H39-D41 IonicContact ND1-OD1 2.7Å; H39-D41 PolarHBondContact ND1-OD1 3.38Å; H39-D41 IonicContact ND1-OD2 3.85Å; D41-K43 VanDerWaalsContact C-N 3.27Å; D41-K43 PolarHBondContact O-N 3.48Å; D41-Y45 PolarHBondContact O-N 3.21Å; D41-W50 PolarHBondContact OD1-NE1 3.17Å; D41-P52 HydrophobicContact CB-CB 4.25Å; D41-P52 VanDerWaalsContact OD1-CA 3.31Å; D41-P52 WeakPolarHBondContact OD1-CA 3.42Å; D41-C53 VanDerWaalsContact OD2-CB 3.3Å; D41-C53 WeakPolarHBondContact OD2-CB 3.47Å; D41-C53 PolarHBondContact OD2-N 3.08Å; D41-C53 PolarHBondContact OD2-SG 3.13Å
42L88Confident90.7Very high41 Ų4183.4 Ų83.422%0.21540%0.402CS..THydrogen-bonded Turntrans-70.1-25.1-177.5-67.3168.2000112.8Y33 C36 W37 G40 V57Y33-L42 HydrophobicContact CD2-CD1 4.02Å; Y33-L42 HydrophobicContact CE2-CD1 3.55Å; C36-L42 HydrophobicContact CB-CG 4.41Å; W37-L42 HydrophobicContact CB-CD1 4.13Å; G40-L42 VanDerWaalsContact C-N 3.28Å; G40-L42 PolarHBondContact O-N 2.89Å; L42-V57 HydrophobicContact CD2-CG1 4.41Å
43K89.2Confident90.5Very high186 Ų18683.4 Ų83.481%0.80940%0.402SS*.THydrogen-bonded Turntrans-88.5-35.4-179.1-172.3-179.8176.9-173.50111.7G40 D41G40-K43 PolarHBondContact O-N 3.05Å; G40-K43 VanDerWaalsContact O-N 3.07Å; D41-K43 VanDerWaalsContact C-N 3.27Å; D41-K43 PolarHBondContact O-N 3.48Å
44N88.4Confident90.4Very high52 Ų5279 Ų7928%0.27839%0.385SS..SBendtrans-100.925.9-175.9-60.1-19.3000112.1G40 D46 D47 W50G40-N44 PolarHBondContact O-N 2.83Å; N44-D46 VanDerWaalsContact C-N 3.31Å; N44-D46 PolarHBondContact O-N 3.07Å; N44-D47 HydrophobicContact CB-CB 4.27Å; N44-D47 WeakPolarHBondContact O-CB 3.46Å; N44-D47 PolarHBondContact O-N 2.93Å; N44-D47 VanDerWaalsContact O-N 3.1Å; N44-W50 HydrophobicContact CB-CB 4.17Å; N44-W50 HydrophobicContact CB-CD2 3.83Å; N44-W50 HydrophobicContact CB-CE3 4.19Å; N44-W50 HydrophobicContact CB-CG 3.8Å; N44-W50 VanDerWaalsContact ND2-CE3 3.34Å; N44-W50 WeakPolarHBondContact ND2-CZ3 3.43Å
45Y84.7Confident90.3Very high103 Ų10376.2 Ų76.240%0.40437%0.372SS..THydrogen-bonded Turntrans-60-39-175.2177.6-96.9000113.3D41 D47 N56 V57 F58D41-Y45 PolarHBondContact O-N 3.21Å; Y45-D47 VanDerWaalsContact C-N 3.25Å; Y45-D47 PolarHBondContact O-N 3.23Å; Y45-N56 PolarHBondContact OH-OD1 3.43Å; Y45-V57 VanDerWaalsContact CD2-O 3.25Å; Y45-V57 WeakPolarHBondContact CD2-O 3.31Å; Y45-F58 HydrophobicContact CD2-CB 4.18Å; Y45-F58 HydrophobicContact CE1-CB 4.38Å; Y45-F58 HydrophobicContact CE2-CB 4.03Å; Y45-F58 HydrophobicContact CE2-CD1 4.41Å; Y45-F58 HydrophobicContact CG-CB 4.43Å
46D85.1Confident90.1Very high149 Ų14976.7 Ų76.780%0.79738%0.375SS*.THydrogen-bonded Turntrans-80.9-4.2-179.8-63.7-38.9000113.2N44 L48N44-D46 VanDerWaalsContact C-N 3.31Å; N44-D46 PolarHBondContact O-N 3.07Å; D46-L48 PolarHBondContact O-N 3.24Å
47D87.8Confident90Very high80 Ų8077 Ų7743%0.42838%0.377SS..  trans-82.6110.1179.2-169.9-10.4000110.4N44 Y45 E49 W50N44-D47 HydrophobicContact CB-CB 4.27Å; N44-D47 WeakPolarHBondContact O-CB 3.46Å; N44-D47 PolarHBondContact O-N 2.93Å; N44-D47 VanDerWaalsContact O-N 3.1Å; Y45-D47 VanDerWaalsContact C-N 3.25Å; Y45-D47 PolarHBondContact O-N 3.23Å; D47-E49 PolarHBondContact O-N 3.27Å; D47-E49 PolarHBondContact OD1-N 3.16Å; D47-W50 HydrophobicContact CB-CB 3.93Å; D47-W50 WeakPolarHBondContact O-CB 3.43Å; D47-W50 PolarHBondContact O-N 3.47Å; D47-W50 VanDerWaalsContact O-N 3.13Å
48L81.4Confident89.8Confident178 Ų17874.5 Ų74.593%0.93237%0.371SS*.THydrogen-bonded Turntrans-64.3-22.5-179.5-81.7142.3000113.5D46D46-L48 PolarHBondContact O-N 3.24Å
49E86.7Confident89.8Confident172 Ų17271.6 Ų71.680%0.80436%0.356SS*.THydrogen-bonded Turntrans-88.2-13177.6-64.9-171.9173.900112.4D47D47-E49 PolarHBondContact O-N 3.27Å; D47-E49 PolarHBondContact OD1-N 3.16Å
50W89.8Confident89.9Confident79 Ų7972 Ų7230%0.29936%0.356SS..  trans-75.7130.2179.6-172.3-95.6000111.4H39 D41 N44 D47 P52H39-W50 AromaticContact CE1-CZ2 3.66Å; H39-W50 AromaticContact ND1-CZ2 3.57Å; H39-W50 WeakPolarHBondContact O-CZ2 3.29Å; D41-W50 PolarHBondContact OD1-NE1 3.17Å; N44-W50 HydrophobicContact CB-CB 4.17Å; N44-W50 HydrophobicContact CB-CD2 3.83Å; N44-W50 HydrophobicContact CB-CE3 4.19Å; N44-W50 HydrophobicContact CB-CG 3.8Å; N44-W50 VanDerWaalsContact ND2-CE3 3.34Å; N44-W50 WeakPolarHBondContact ND2-CZ3 3.43Å; D47-W50 HydrophobicContact CB-CB 3.93Å; D47-W50 WeakPolarHBondContact O-CB 3.43Å; D47-W50 PolarHBondContact O-N 3.47Å; D47-W50 VanDerWaalsContact O-N 3.13Å; W50-P52 VanDerWaalsContact O-CD 3.22Å; W50-P52 WeakPolarHBondContact O-CD 3.4Å
51N90.1Very high90Very high92 Ų9275.1 Ų75.149%0.49237%0.372SS..  trans-100.7100.7176.1-70.7-59.7000110
52P93.3Very high90.2Very high35 Ų3574.8 Ų74.823%0.22737%0.371CS..  trans-74.7155.5-176.131.3-36.7000112.2D41 W50 I54 T82D41-P52 HydrophobicContact CB-CB 4.25Å; D41-P52 VanDerWaalsContact OD1-CA 3.31Å; D41-P52 WeakPolarHBondContact OD1-CA 3.42Å; W50-P52 VanDerWaalsContact O-CD 3.22Å; W50-P52 WeakPolarHBondContact O-CD 3.4Å; P52-I54 VanDerWaalsContact C-N 3.31Å; P52-I54 PolarHBondContact O-N 2.97Å; P52-T82 WeakPolarHBondContact O-CB 3.29Å; P52-T82 VanDerWaalsContact O-CG2 3.24Å; P52-T82 WeakPolarHBondContact O-CG2 3.22Å; P52-T82 PolarHBondContact O-OG1 2.71Å
53C93.1Very high90.6Very high1 Ų172.9 Ų72.91%0.00736%0.36CS..SBendtrans-63.6-38.4172.5-60.50000112.1D41 T82 C85 A88D41-C53 VanDerWaalsContact OD2-CB 3.3Å; D41-C53 WeakPolarHBondContact OD2-CB 3.47Å; D41-C53 PolarHBondContact OD2-N 3.08Å; D41-C53 PolarHBondContact OD2-SG 3.13Å; C53-T82 PolarHBondContact O-N 3.08Å; C53-T82 PolarHBondContact O-OG1 2.77Å; C53-C85 WeakPolarHBondContact CA-SG 3.41Å; C53-C85 HydrophobicContact CB-CB 3.53Å; C53-C85 WeakPolarHBondContact CB-SG 3.22Å; C53-C85 WeakPolarHBondContact SG-CB 3.49Å; C53-C85 CovalentContact SG-SG 2.02Å; C53-C85 PolarHBondContact SG-SG 2.88Å; C53-A88 HydrophobicContact CB-CB 4.31Å
54I93.9Very high91Very high2 Ų266.5 Ų66.51%0.0133%0.333CS..BIsolated β-bridgetrans-131122.1179.1-52.4171.5000107.9Y32 P52 V57 F66Y32-I54 HydrophobicContact CD1-CD1 3.7Å; Y32-I54 HydrophobicContact CE1-CD1 4.37Å; Y32-I54 HydrophobicContact CG-CD1 4.03Å; P52-I54 VanDerWaalsContact C-N 3.31Å; P52-I54 PolarHBondContact O-N 2.97Å; I54-V57 HydrophobicContact CB-CG2 3.99Å; I54-V57 HydrophobicContact CG2-CG2 3.56Å; I54-F66 HydrophobicContact CD1-CD1 3.89Å; I54-F66 HydrophobicContact CD1-CE1 3.73Å; I54-F66 HydrophobicContact CD1-CZ 4.45Å; I54-F66 HydrophobicContact CG1-CE1 4.37Å; I54-F66 HydrophobicContact CG2-CD1 4.2Å; I54-F66 HydrophobicContact CG2-CD2 3.98Å; I54-F66 HydrophobicContact CG2-CE1 4.24Å; I54-F66 HydrophobicContact CG2-CE2 4.02Å; I54-F66 HydrophobicContact CG2-CG 4.06Å; I54-F66 HydrophobicContact CG2-CZ 4.15Å
55S92.9Very high91.3Very high28 Ų2867.5 Ų67.520%0.19634%0.338CS..THydrogen-bonded Turntrans-72.9145.8-177.6-172.70000111.9V57 Y80S55-V57 PolarHBondContact O-N 2.99Å; S55-Y80 PolarHBondContact N-O 3.24Å
56N91.6Very high91.9Very high37 Ų3762.9 Ų62.920%0.19832%0.32CS..THydrogen-bonded Turntrans58.944.6175-168.235.8000114.3Y45 K78 R79Y45-N56 PolarHBondContact OH-OD1 3.43Å; N56-K78 WeakPolarHBondContact CB-O 3.38Å; N56-K78 WeakPolarHBondContact ND2-CE 3.26Å; N56-K78 WeakPolarHBondContact ND2-CG 3.37Å; N56-K78 PolarHBondContact ND2-O 3.48Å; N56-R79 HydrophobicContact CB-CG 4.48Å
57V91.4Very high92.4Very high7 Ų755.8 Ų55.84%0.04228%0.282CS..  trans-118.8122176.3167.40000108.9L42 Y45 I54 S55 S62 I63L42-V57 HydrophobicContact CD2-CG1 4.41Å; Y45-V57 VanDerWaalsContact CD2-O 3.25Å; Y45-V57 WeakPolarHBondContact CD2-O 3.31Å; I54-V57 HydrophobicContact CB-CG2 3.99Å; I54-V57 HydrophobicContact CG2-CG2 3.56Å; S55-V57 PolarHBondContact O-N 2.99Å; V57-S62 WeakPolarHBondContact CA-OG 3.18Å; V57-I63 HydrophobicContact CB-CG1 4.38Å; V57-I63 HydrophobicContact CG1-CD1 3.54Å; V57-I63 HydrophobicContact CG1-CG1 3.14Å; V57-I63 HydrophobicContact CG2-CG1 4.39Å
58F90.6Very high92.8Very high105 Ų10553.4 Ų53.446%0.46127%0.27SS..  trans-129.5-25-175.247-96.1000113.5Y45 S62Y45-F58 HydrophobicContact CD2-CB 4.18Å; Y45-F58 HydrophobicContact CE1-CB 4.38Å; Y45-F58 HydrophobicContact CE2-CB 4.03Å; Y45-F58 HydrophobicContact CE2-CD1 4.41Å; Y45-F58 HydrophobicContact CG-CB 4.43Å; F58-S62 PolarHBondContact N-OG 2.78Å
59D91.9Very high93.5Very high57 Ų5745.2 Ų45.231%0.30523%0.227SC..SBendtrans-142172179.175-26.2000112.2T61 S62 I63D59-T61 PolarHBondContact O-N 2.71Å; D59-T61 PolarHBondContact OD1-N 3.02Å; D59-T61 WeakPolarHBondContact OD2-CB 3.34Å; D59-T61 PolarHBondContact OD2-OG1 3.11Å; D59-S62 PolarHBondContact N-OG 3.47Å; D59-S62 VanDerWaalsContact N-OG 3.14Å; D59-S62 PolarHBondContact O-N 2.81Å; D59-S62 PolarHBondContact O-OG 2.99Å; D59-S62 WeakPolarHBondContact OD1-CB 3.24Å; D59-S62 PolarHBondContact OD1-N 2.97Å; D59-S62 PolarHBondContact OD1-OG 2.63Å; D59-S62 VanDerWaalsContact OD1-OG 3.11Å; D59-I63 PolarHBondContact O-N 3.09Å
60F94.8Very high93.9Very high82 Ų8238.1 Ų38.136%0.3620%0.196SC..Hα-helixtrans-58.2-34.5177.2-177.6-98.8000112.4A29 V30 Y33 S62 I63 F64A29-F60 HydrophobicContact CB-CE2 4.25Å; A29-F60 HydrophobicContact CB-CZ 4.15Å; V30-F60 HydrophobicContact CG2-CE2 4.02Å; V30-F60 HydrophobicContact CG2-CZ 4.26Å; Y33-F60 HydrophobicContact CD2-CB 4.29Å; Y33-F60 AromaticContact CD2-CD2 3.92Å; Y33-F60 HydrophobicContact CD2-CD2 3.92Å; Y33-F60 HydrophobicContact CE2-CB 4.41Å; Y33-F60 HydrophobicContact CG-CD2 4.1Å; F60-S62 PolarHBondContact O-N 3.35Å; F60-I63 PolarHBondContact O-N 3.46Å; F60-F64 HydrophobicContact CE1-CB 4.38Å; F60-F64 WeakPolarHBondContact O-CB 3.45Å; F60-F64 PolarHBondContact O-N 3.47Å
61T95.3Very high94.2Very high84 Ų8435 Ų3552%0.51519%0.185SC..Hα-helixtrans-62.3-43.7178.3-390000111.6D59 I63 F64 L65D59-T61 PolarHBondContact O-N 2.71Å; D59-T61 PolarHBondContact OD1-N 3.02Å; D59-T61 WeakPolarHBondContact OD2-CB 3.34Å; D59-T61 PolarHBondContact OD2-OG1 3.11Å; T61-I63 VanDerWaalsContact C-N 3.31Å; T61-I63 PolarHBondContact O-N 2.9Å; T61-F64 PolarHBondContact O-N 3.18Å; T61-L65 WeakPolarHBondContact O-CB 3.35Å; T61-L65 WeakPolarHBondContact O-CG 3.44Å; T61-L65 PolarHBondContact O-N 2.89Å
62S94.7Very high94.4Very high1 Ų133.8 Ų33.81%0.00718%0.177CC..Hα-helixtrans-64.1-35.4176.868.20000112.5V57 F58 D59 F60 F66 R79V57-S62 WeakPolarHBondContact CA-OG 3.18Å; F58-S62 PolarHBondContact N-OG 2.78Å; D59-S62 PolarHBondContact N-OG 3.47Å; D59-S62 VanDerWaalsContact N-OG 3.14Å; D59-S62 PolarHBondContact O-N 2.81Å; D59-S62 PolarHBondContact O-OG 2.99Å; D59-S62 WeakPolarHBondContact OD1-CB 3.24Å; D59-S62 PolarHBondContact OD1-N 2.97Å; D59-S62 PolarHBondContact OD1-OG 2.63Å; D59-S62 VanDerWaalsContact OD1-OG 3.11Å; F60-S62 PolarHBondContact O-N 3.35Å; S62-F66 PolarHBondContact O-N 3.05Å; S62-R79 WeakPolarHBondContact O-CD 3.17Å
63I96Very high94.5Very high0 Ų038 Ų380%020%0.202CC..Hα-helixtrans-71.1-42.2173.5-61.3-170.2000111.7A29 Y32 Y33 C36 V57 D59 F60 T61 L65 F66 S67A29-I63 HydrophobicContact CB-CG2 4.36Å; A29-I63 VanDerWaalsContact O-CG2 3.27Å; A29-I63 WeakPolarHBondContact O-CG2 3.49Å; Y32-I63 VanDerWaalsContact CB-CG2 3.46Å; Y32-I63 HydrophobicContact CG-CG2 4.48Å; Y33-I63 VanDerWaalsContact CA-CD1 3.49Å; Y33-I63 HydrophobicContact CD2-CD1 3.84Å; Y33-I63 HydrophobicContact CG-CD1 4.32Å; C36-I63 HydrophobicContact CB-CD1 4.28Å; V57-I63 HydrophobicContact CB-CG1 4.38Å; V57-I63 HydrophobicContact CG1-CD1 3.54Å; V57-I63 HydrophobicContact CG1-CG1 3.14Å; V57-I63 HydrophobicContact CG2-CG1 4.39Å; D59-I63 PolarHBondContact O-N 3.09Å; F60-I63 PolarHBondContact O-N 3.46Å; T61-I63 VanDerWaalsContact C-N 3.31Å; T61-I63 PolarHBondContact O-N 2.9Å; I63-L65 VanDerWaalsContact C-N 3.3Å; I63-L65 PolarHBondContact O-N 2.68Å; I63-F66 WeakPolarHBondContact O-CB 3.36Å; I63-F66 PolarHBondContact O-N 2.83Å; I63-S67 PolarHBondContact O-N 3.03Å
64F96.9Very high94.6Very high53 Ų5342 Ų4223%0.23222%0.222CC..Hα-helixtrans-60-43.9176-177.9-94.1000111W25 A29 F60 T61 S67 V68W25-F64 HydrophobicContact CB-CE2 3.81Å; W25-F64 HydrophobicContact CB-CZ 4.07Å; W25-F64 HydrophobicContact CE3-CZ 4.14Å; A29-F64 HydrophobicContact CB-CB 4.17Å; A29-F64 HydrophobicContact CB-CD2 3.93Å; F60-F64 HydrophobicContact CE1-CB 4.38Å; F60-F64 WeakPolarHBondContact O-CB 3.45Å; F60-F64 PolarHBondContact O-N 3.47Å; T61-F64 PolarHBondContact O-N 3.18Å; F64-S67 WeakPolarHBondContact O-CB 3.48Å; F64-S67 PolarHBondContact O-N 2.72Å; F64-V68 HydrophobicContact CD1-CG2 4.21Å; F64-V68 HydrophobicContact CE1-CG2 3.79Å; F64-V68 HydrophobicContact CZ-CG2 4.07Å; F64-V68 WeakPolarHBondContact O-CG2 2.99Å; F64-V68 PolarHBondContact O-N 3.07Å
65L96.1Very high94.3Very high73 Ų7344.4 Ų44.438%0.38225%0.247SC..Hα-helixtrans-58.6-47.9172.3-76166.8000111.5T61 I63 S67 V68 E69T61-L65 WeakPolarHBondContact O-CB 3.35Å; T61-L65 WeakPolarHBondContact O-CG 3.44Å; T61-L65 PolarHBondContact O-N 2.89Å; I63-L65 VanDerWaalsContact C-N 3.3Å; I63-L65 PolarHBondContact O-N 2.68Å; L65-S67 VanDerWaalsContact C-N 3.29Å; L65-S67 PolarHBondContact O-N 3.23Å; L65-V68 PolarHBondContact O-N 2.81Å; L65-E69 WeakPolarHBondContact O-CB 3.32Å; L65-E69 WeakPolarHBondContact O-CG 3.34Å; L65-E69 PolarHBondContact O-N 2.78Å
66F96.1Very high94.3Very high6 Ų650.3 Ų50.33%0.02627%0.27CS..Hα-helixtrans-58.2-40.2175.6176.8-102.6000112.6Y32 I54 S62 I63 E69 S70 R79 I81Y32-F66 HydrophobicContact CD1-CE1 4.39Å; Y32-F66 HydrophobicContact CD2-CD1 4.12Å; Y32-F66 HydrophobicContact CD2-CE1 4.32Å; Y32-F66 HydrophobicContact CE1-CE1 4.05Å; Y32-F66 HydrophobicContact CE2-CD1 4.09Å; Y32-F66 AromaticContact CE2-CE1 3.97Å; Y32-F66 HydrophobicContact CE2-CE1 3.97Å; Y32-F66 HydrophobicContact CG-CD1 4.46Å; Y32-F66 AromaticContact CZ-CE1 3.83Å; I54-F66 HydrophobicContact CD1-CD1 3.89Å; I54-F66 HydrophobicContact CD1-CE1 3.73Å; I54-F66 HydrophobicContact CD1-CZ 4.45Å; I54-F66 HydrophobicContact CG1-CE1 4.37Å; I54-F66 HydrophobicContact CG2-CD1 4.2Å; I54-F66 HydrophobicContact CG2-CD2 3.98Å; I54-F66 HydrophobicContact CG2-CE1 4.24Å; I54-F66 HydrophobicContact CG2-CE2 4.02Å; I54-F66 HydrophobicContact CG2-CG 4.06Å; I54-F66 HydrophobicContact CG2-CZ 4.15Å; S62-F66 PolarHBondContact O-N 3.05Å; I63-F66 WeakPolarHBondContact O-CB 3.36Å; I63-F66 PolarHBondContact O-N 2.83Å; F66-E69 PolarHBondContact O-N 2.91Å; F66-S70 WeakPolarHBondContact CE2-OG 3.23Å; F66-S70 WeakPolarHBondContact CZ-OG 3.25Å; F66-S70 WeakPolarHBondContact O-CB 3.4Å; F66-S70 PolarHBondContact O-N 3.02Å; F66-S70 PolarHBondContact O-OG 3.22Å; F66-R79 HydrophobicContact CB-CB 4.41Å; F66-R79 HydrophobicContact CD2-CB 3.79Å; F66-I81 HydrophobicContact CZ-CB 4.45Å
67S96.9Very high94.1Very high0 Ų050.9 Ų50.90%029%0.285CS..Hα-helixtrans-63.6-43.9176.5-174.20000111.8W25 F28 A29 I63 F64 L65 Q71 Q95W25-S67 PolarHBondContact O-OG 3.14Å; W25-S67 VanDerWaalsContact O-OG 3.11Å; F28-S67 WeakPolarHBondContact CB-OG 3.42Å; A29-S67 PolarHBondContact N-OG 3.35Å; I63-S67 PolarHBondContact O-N 3.03Å; F64-S67 WeakPolarHBondContact O-CB 3.48Å; F64-S67 PolarHBondContact O-N 2.72Å; L65-S67 VanDerWaalsContact C-N 3.29Å; L65-S67 PolarHBondContact O-N 3.23Å; S67-Q71 WeakPolarHBondContact O-CB 3.34Å; S67-Q71 PolarHBondContact O-N 3.01Å; S67-Q95 PolarHBondContact O-NE2 3.24Å; S67-Q95 PolarHBondContact OG-NE2 3.22Å
68V96.4Very high94.1Very high30 Ų3057.4 Ų57.418%0.18231%0.313CS..Hα-helixtrans-64.8-48.2175.6174.80000110.9W25 F64 L65 S70 Q71 H72W25-V68 HydrophobicContact CB-CG2 3.97Å; W25-V68 HydrophobicContact CD2-CG2 3.78Å; W25-V68 HydrophobicContact CE3-CG2 3.94Å; W25-V68 HydrophobicContact CG-CG2 3.8Å; F64-V68 HydrophobicContact CD1-CG2 4.21Å; F64-V68 HydrophobicContact CE1-CG2 3.79Å; F64-V68 HydrophobicContact CZ-CG2 4.07Å; F64-V68 WeakPolarHBondContact O-CG2 2.99Å; F64-V68 PolarHBondContact O-N 3.07Å; L65-V68 PolarHBondContact O-N 2.81Å; V68-S70 PolarHBondContact O-N 2.83Å; V68-Q71 PolarHBondContact O-N 3.4Å; V68-H72 WeakPolarHBondContact O-CB 3.48Å; V68-H72 PolarHBondContact O-N 3.05Å
69E95.9Very high94.3Very high6 Ų654.3 Ų54.33%0.02830%0.298CS..Hα-helixtrans-57.2-39.9-180-74171.9-14700111.5L65 F66 T73 I74 G75 F76 R79L65-E69 WeakPolarHBondContact O-CB 3.32Å; L65-E69 WeakPolarHBondContact O-CG 3.34Å; L65-E69 PolarHBondContact O-N 2.78Å; F66-E69 PolarHBondContact O-N 2.91Å; E69-T73 CarbonylContact O-C 3.47Å; E69-T73 PolarHBondContact O-N 3.07Å; E69-I74 PolarHBondContact O-N 3.5Å; E69-G75 PolarHBondContact O-N 2.75Å; E69-F76 HydrophobicContact CG-CD2 3.7Å; E69-F76 HydrophobicContact CG-CE2 4.04Å; E69-R79 IonicContact OE1-NH1 2.9Å; E69-R79 PolarHBondContact OE1-NH1 2.9Å
70S95.2Very high94.3Very high22 Ų2257.7 Ų57.715%0.15431%0.307CS..Hα-helixtrans-76.6-46.5-179-63.50000112.1F66 V68 H72 T73F66-S70 WeakPolarHBondContact CE2-OG 3.23Å; F66-S70 WeakPolarHBondContact CZ-OG 3.25Å; F66-S70 WeakPolarHBondContact O-CB 3.4Å; F66-S70 PolarHBondContact O-N 3.02Å; F66-S70 PolarHBondContact O-OG 3.22Å; V68-S70 PolarHBondContact O-N 2.83Å; S70-H72 PolarHBondContact O-N 3Å; S70-T73 PolarHBondContact O-N 2.63Å; S70-T73 VanDerWaalsContact O-N 3.15Å
71Q95.6Very high94.3Very high13 Ų1355.9 Ų55.96%0.06130%0.301CS..Hα-helixtrans-66.5-37.8-178.9-160.8170.2-47.700113.1S24 S67 V68 T73 Q95S24-Q71 PolarHBondContact OG-NE2 2.9Å; S67-Q71 WeakPolarHBondContact O-CB 3.34Å; S67-Q71 PolarHBondContact O-N 3.01Å; V68-Q71 PolarHBondContact O-N 3.4Å; Q71-T73 VanDerWaalsContact C-N 3.25Å; Q71-Q95 HydrophobicContact CB-CG 4.48Å; Q71-Q95 HydrophobicContact CG-CG 4.47Å
72H94.2Very high94.1Very high68 Ų6853 Ų5332%0.31528%0.283SS..THydrogen-bonded Turntrans-86.71.6177.1-76.467.5000112.6W25 V68 S70 I74W25-H72 AromaticContact CE2-CE1 3.42Å; W25-H72 VanDerWaalsContact CE2-CE1 3.42Å; W25-H72 AromaticContact CE2-ND1 3.89Å; W25-H72 AromaticContact CZ2-CE1 3.18Å; W25-H72 WeakPolarHBondContact CZ2-CE1 3.45Å; W25-H72 AromaticContact CZ2-ND1 3.89Å; W25-H72 AromaticContact CZ2-NE2 3.81Å; W25-H72 AromaticContact NE1-CE1 3.2Å; W25-H72 PolarHBondContact NE1-CE1 2.9Å; W25-H72 AromaticContact NE1-ND1 3.51Å; V68-H72 WeakPolarHBondContact O-CB 3.48Å; V68-H72 PolarHBondContact O-N 3.05Å; S70-H72 PolarHBondContact O-N 3Å; H72-I74 HydrophobicContact CB-CD1 3.93Å; H72-I74 HydrophobicContact CB-CG1 3.77Å; H72-I74 PolarHBondContact O-N 2.81Å; H72-I74 VanDerWaalsContact O-N 3.14Å
73T94.5Very high94Very high124 Ų12459 Ų5976%0.76132%0.319SS*.THydrogen-bonded Turntrans52.934.1-17862.70000112.7E69 S70 Q71E69-T73 CarbonylContact O-C 3.47Å; E69-T73 PolarHBondContact O-N 3.07Å; S70-T73 PolarHBondContact O-N 2.63Å; S70-T73 VanDerWaalsContact O-N 3.15Å; Q71-T73 VanDerWaalsContact C-N 3.25Å
74I95.7Very high93.6Very high85 Ų8564 Ų6444%0.43634%0.343SS..  trans-72.9-48.4176.2-58.2169.9000108.7E69 H72 F76E69-I74 PolarHBondContact O-N 3.5Å; H72-I74 HydrophobicContact CB-CD1 3.93Å; H72-I74 HydrophobicContact CB-CG1 3.77Å; H72-I74 PolarHBondContact O-N 2.81Å; H72-I74 VanDerWaalsContact O-N 3.14Å; I74-F76 HydrophobicContact CG2-CD1 3.87Å; I74-F76 HydrophobicContact CG2-CD2 4.2Å; I74-F76 HydrophobicContact CG2-CE1 3.5Å; I74-F76 VanDerWaalsContact CG2-CE1 3.5Å; I74-F76 HydrophobicContact CG2-CE2 3.86Å; I74-F76 HydrophobicContact CG2-CG 4.2Å; I74-F76 HydrophobicContact CG2-CZ 3.49Å; I74-F76 VanDerWaalsContact CG2-CZ 3.49Å; I74-F76 PolarHBondContact O-N 2.81Å
75G88.5Confident93.4Very high52 Ų5262 Ų6254%0.53634%0.335SS..  trans49.662.1172.400000114.3E69 G77E69-G75 PolarHBondContact O-N 2.75Å; G75-G77 PolarHBondContact O-N 2.76Å
76F91.8Very high93.3Very high151 Ų15160.9 Ų60.966%0.66234%0.342SS*.  trans-57.5-14.6179.9-66.8-57.6000114E69 I74 K78E69-F76 HydrophobicContact CG-CD2 3.7Å; E69-F76 HydrophobicContact CG-CE2 4.04Å; I74-F76 HydrophobicContact CG2-CD1 3.87Å; I74-F76 HydrophobicContact CG2-CD2 4.2Å; I74-F76 HydrophobicContact CG2-CE1 3.5Å; I74-F76 VanDerWaalsContact CG2-CE1 3.5Å; I74-F76 HydrophobicContact CG2-CE2 3.86Å; I74-F76 HydrophobicContact CG2-CG 4.2Å; I74-F76 HydrophobicContact CG2-CZ 3.49Å; I74-F76 VanDerWaalsContact CG2-CZ 3.49Å; I74-F76 PolarHBondContact O-N 2.81Å; F76-K78 PolarHBondContact O-N 3.32Å
77G88.1Confident93.2Very high50 Ų5063.5 Ų63.552%0.51536%0.364SS..SBendtrans83.1-9.717500000114.2G75 R79G75-G77 PolarHBondContact O-N 2.76Å; G77-R79 VanDerWaalsContact C-N 3.34Å
78K91.8Very high93.1Very high144 Ų14463.5 Ų63.563%0.62636%0.364SS*.SBendtrans-74.4-25.8174.7-154.5-172.3179176.20112.8N56 F76N56-K78 WeakPolarHBondContact CB-O 3.38Å; N56-K78 WeakPolarHBondContact ND2-CE 3.26Å; N56-K78 WeakPolarHBondContact ND2-CG 3.37Å; N56-K78 PolarHBondContact ND2-O 3.48Å; F76-K78 PolarHBondContact O-N 3.32Å
79R93.1Very high93.1Very high40 Ų4065.2 Ų65.215%0.15137%0.372CS..SBendtrans-121.9121.5173.8-63.3174.9-171.791.42.9107.2N56 S62 F66 E69 G77N56-R79 HydrophobicContact CB-CG 4.48Å; S62-R79 WeakPolarHBondContact O-CD 3.17Å; F66-R79 HydrophobicContact CB-CB 4.41Å; F66-R79 HydrophobicContact CD2-CB 3.79Å; E69-R79 IonicContact OE1-NH1 2.9Å; E69-R79 PolarHBondContact OE1-NH1 2.9Å; G77-R79 VanDerWaalsContact C-N 3.34Å
80Y93.1Very high93.1Very high128 Ų12867.6 Ų67.650%0.50239%0.392SS..  trans-143.6151.3-176.961.8-90.8000110.4S55 T82S55-Y80 PolarHBondContact N-O 3.24Å; Y80-T82 HydrophobicContact CE2-CG2 4.22Å
81I93.6Very high93.2Very high44 Ų4467.6 Ų67.623%0.22639%0.392CS..BIsolated β-bridgetrans-78.4141.1177.8-161.8165.1000110.4F66 A88 I89 L92F66-I81 HydrophobicContact CZ-CB 4.45Å; I81-A88 HydrophobicContact CD1-CB 3.65Å; I81-A88 WeakPolarHBondContact CD1-O 3.45Å; I81-A88 HydrophobicContact CG1-CB 4.15Å; I81-I89 HydrophobicContact CD1-CB 4.46Å; I81-I89 HydrophobicContact CD1-CG1 3.94Å; I81-I89 HydrophobicContact CG1-CG1 4.44Å; I81-L92 HydrophobicContact CD1-CB 4.19Å; I81-L92 HydrophobicContact CD1-CD2 4.09Å; I81-L92 HydrophobicContact CG2-CD2 3.93Å
82T92.7Very high93.2Very high22 Ų2269 Ų6914%0.13540%0.399CS..  trans-101.2164.9174.871.90000110.9P52 C53 Y80 H84P52-T82 WeakPolarHBondContact O-CB 3.29Å; P52-T82 VanDerWaalsContact O-CG2 3.24Å; P52-T82 WeakPolarHBondContact O-CG2 3.22Å; P52-T82 PolarHBondContact O-OG1 2.71Å; C53-T82 PolarHBondContact O-N 3.08Å; C53-T82 PolarHBondContact O-OG1 2.77Å; Y80-T82 HydrophobicContact CE2-CG2 4.22Å; T82-H84 PolarHBondContact O-N 2.84Å
83T91.1Very high93.3Very high127 Ų12769.1 Ų69.178%0.77941%0.407SS*.THydrogen-bonded Turntrans-78.6-2.3179.950.50000113.8
84H88.8Confident93.4Very high106 Ų10667.1 Ų67.149%0.49140%0.395SS..THydrogen-bonded Turntrans-72.7-30.9-173.7-65.9-74.9000112.8T82T82-H84 PolarHBondContact O-N 2.84Å
85C92.1Very high93.4Very high10 Ų1063.1 Ų63.17%0.06837%0.374CS..  trans-116.897.6-173.3-56.10000112.1C53 A87 A88 I89C53-C85 WeakPolarHBondContact CA-SG 3.41Å; C53-C85 HydrophobicContact CB-CB 3.53Å; C53-C85 WeakPolarHBondContact CB-SG 3.22Å; C53-C85 WeakPolarHBondContact SG-CB 3.49Å; C53-C85 CovalentContact SG-SG 2.02Å; C53-C85 PolarHBondContact SG-SG 2.88Å; C85-A87 PolarHBondContact O-N 2.83Å; C85-A88 HydrophobicContact CB-CB 4.08Å; C85-A88 PolarHBondContact O-N 2.74Å; C85-A88 VanDerWaalsContact O-N 3.12Å; C85-I89 PolarHBondContact O-N 3.42Å
86G93.2Very high93.8Very high51 Ų5163 Ų6353%0.52637%0.365SS..Hα-helixtrans-58.3-31.3175.800000113.7I89 A90G86-I89 PolarHBondContact O-N 3.13Å; G86-A90 PolarHBondContact O-N 2.93Å
87A94.7Very high94Very high60 Ų6061.1 Ų61.150%0.49636%0.361SS..Hα-helixtrans-63.6-42.3175.900000112.6I35 C85 I89 A90 V91I35-A87 HydrophobicContact CD1-CB 4.37Å; C85-A87 PolarHBondContact O-N 2.83Å; A87-I89 VanDerWaalsContact C-N 3.3Å; A87-I89 PolarHBondContact O-N 2.83Å; A87-A90 PolarHBondContact O-N 2.79Å; A87-V91 WeakPolarHBondContact O-CG2 3.46Å; A87-V91 PolarHBondContact O-N 3.26Å
88A94.8Very high94.4Very high0 Ų063.8 Ų63.80%036%0.356CS..Hα-helixtrans-64.1-39.6177.100000110.7I35 C53 I81 C85 V91 L92I35-A88 HydrophobicContact CG2-CB 4.29Å; C53-A88 HydrophobicContact CB-CB 4.31Å; I81-A88 HydrophobicContact CD1-CB 3.65Å; I81-A88 WeakPolarHBondContact CD1-O 3.45Å; I81-A88 HydrophobicContact CG1-CB 4.15Å; C85-A88 HydrophobicContact CB-CB 4.08Å; C85-A88 PolarHBondContact O-N 2.74Å; C85-A88 VanDerWaalsContact O-N 3.12Å; A88-V91 PolarHBondContact O-N 3.18Å; A88-L92 WeakPolarHBondContact O-CB 3.48Å; A88-L92 PolarHBondContact O-N 2.84Å
89I95.8Very high94.6Very high67 Ų6757.1 Ų57.134%0.34433%0.328SS..Hα-helixtrans-63.4-44.7177.7-61171.6000110I81 C85 G86 A87 V91 L92 C93I81-I89 HydrophobicContact CD1-CB 4.46Å; I81-I89 HydrophobicContact CD1-CG1 3.94Å; I81-I89 HydrophobicContact CG1-CG1 4.44Å; C85-I89 PolarHBondContact O-N 3.42Å; G86-I89 PolarHBondContact O-N 3.13Å; A87-I89 VanDerWaalsContact C-N 3.3Å; A87-I89 PolarHBondContact O-N 2.83Å; I89-V91 PolarHBondContact O-N 3.22Å; I89-L92 WeakPolarHBondContact O-CB 3.45Å; I89-L92 PolarHBondContact O-N 3.04Å; I89-C93 PolarHBondContact O-N 3.24Å; I89-C93 PolarHBondContact O-SG 3.17Å; I89-C93 VanDerWaalsContact O-SG 3.36Å
90A96.3Very high94.7Very high55 Ų5560.4 Ų60.446%0.45535%0.348SS..Hα-helixtrans-61.6-41.5177.100000112.5G86 A87 C93 T94G86-A90 PolarHBondContact O-N 2.93Å; A87-A90 PolarHBondContact O-N 2.79Å; A90-C93 PolarHBondContact O-N 2.86Å; A90-T94 WeakPolarHBondContact O-CB 3.47Å; A90-T94 PolarHBondContact O-N 3.04Å; A90-T94 PolarHBondContact O-OG1 3.06Å
91V96.7Very high94.8Very high23 Ų2359.8 Ų59.814%0.13935%0.353CS..Hα-helixtrans-63.4-42.8173.7175.10000111F28 L31 Y32 I35 A87 A88 I89 C93 T94 Q95F28-V91 HydrophobicContact CD1-CG1 3.92Å; F28-V91 HydrophobicContact CE1-CG1 4.41Å; L31-V91 HydrophobicContact CB-CG1 4.34Å; L31-V91 HydrophobicContact CD1-CG1 4.48Å; Y32-V91 HydrophobicContact CD1-CG1 4.08Å; Y32-V91 HydrophobicContact CE1-CB 3.9Å; Y32-V91 HydrophobicContact CE1-CG1 3.54Å; Y32-V91 HydrophobicContact CE2-CG1 4.26Å; I35-V91 HydrophobicContact CD1-CB 4.29Å; I35-V91 HydrophobicContact CD1-CG2 3.57Å; A87-V91 WeakPolarHBondContact O-CG2 3.46Å; A87-V91 PolarHBondContact O-N 3.26Å; A88-V91 PolarHBondContact O-N 3.18Å; I89-V91 PolarHBondContact O-N 3.22Å; V91-C93 PolarHBondContact O-N 3.33Å; V91-T94 PolarHBondContact O-N 2.91Å; V91-Q95 VanDerWaalsContact O-CB 3.22Å; V91-Q95 WeakPolarHBondContact O-CB 3.43Å; V91-Q95 PolarHBondContact O-N 2.83Å
92L96Very high94.9Very high41 Ų4158.6 Ų58.622%0.21535%0.346CS..Hα-helixtrans-61-44.1177-179.366000112.4Y32 I81 A88 I89 Q95 S96Y32-L92 WeakPolarHBondContact OH-CA 3.46Å; Y32-L92 PolarHBondContact OH-N 3.23Å; I81-L92 HydrophobicContact CD1-CB 4.19Å; I81-L92 HydrophobicContact CD1-CD2 4.09Å; I81-L92 HydrophobicContact CG2-CD2 3.93Å; A88-L92 WeakPolarHBondContact O-CB 3.48Å; A88-L92 PolarHBondContact O-N 2.84Å; I89-L92 WeakPolarHBondContact O-CB 3.45Å; I89-L92 PolarHBondContact O-N 3.04Å; L92-Q95 PolarHBondContact O-N 3.05Å; L92-S96 WeakPolarHBondContact O-CB 3.36Å; L92-S96 PolarHBondContact O-N 2.97Å; L92-S96 PolarHBondContact O-OG 2.89Å
93C96.2Very high94.9Very high72 Ų7262.3 Ų62.349%0.48636%0.363SS..Hα-helixtrans-62.7-44.7175.8-67.80000111.3I89 A90 V91 S96 I97I89-C93 PolarHBondContact O-N 3.24Å; I89-C93 PolarHBondContact O-SG 3.17Å; I89-C93 VanDerWaalsContact O-SG 3.36Å; A90-C93 PolarHBondContact O-N 2.86Å; V91-C93 PolarHBondContact O-N 3.33Å; C93-S96 PolarHBondContact O-N 3.02Å; C93-I97 WeakPolarHBondContact O-CG1 3.3Å; C93-I97 PolarHBondContact O-N 3.47Å; C93-I97 VanDerWaalsContact O-N 3.16Å
94T96.6Very high95.1Very high82 Ų8260.2 Ų60.250%0.50335%0.353SS..Hα-helixtrans-65.9-42.5179.6-540000111.3A90 V91 S96 I97 Y98A90-T94 WeakPolarHBondContact O-CB 3.47Å; A90-T94 PolarHBondContact O-N 3.04Å; A90-T94 PolarHBondContact O-OG1 3.06Å; V91-T94 PolarHBondContact O-N 2.91Å; T94-S96 VanDerWaalsContact C-N 3.35Å; T94-S96 PolarHBondContact O-N 2.8Å; T94-I97 PolarHBondContact O-N 2.96Å; T94-Y98 WeakPolarHBondContact O-CB 2.93Å; T94-Y98 PolarHBondContact O-N 3.23Å
95Q97.4Very high95.3Very high1 Ų159.8 Ų59.81%0.00535%0.35CS..Hα-helixtrans-60.8-43.2175.5-177.7-177500111.6F28 Y32 S67 Q71 V91 L92 Y98 G99F28-Q95 HydrophobicContact CB-CG 4.28Å; F28-Q95 HydrophobicContact CD1-CB 3.64Å; F28-Q95 HydrophobicContact CD1-CG 3.87Å; F28-Q95 HydrophobicContact CD2-CB 4.32Å; F28-Q95 HydrophobicContact CD2-CG 3.76Å; F28-Q95 HydrophobicContact CE1-CB 3.6Å; F28-Q95 HydrophobicContact CE1-CG 4.13Å; F28-Q95 HydrophobicContact CE2-CB 4.31Å; F28-Q95 HydrophobicContact CE2-CG 4.05Å; F28-Q95 HydrophobicContact CG-CB 4.02Å; F28-Q95 HydrophobicContact CG-CG 3.69Å; F28-Q95 HydrophobicContact CZ-CB 3.96Å; F28-Q95 HydrophobicContact CZ-CG 4.22Å; Y32-Q95 VanDerWaalsContact CZ-OE1 3.25Å; Y32-Q95 PolarHBondContact OH-OE1 3.37Å; S67-Q95 PolarHBondContact O-NE2 3.24Å; S67-Q95 PolarHBondContact OG-NE2 3.22Å; Q71-Q95 HydrophobicContact CB-CG 4.48Å; Q71-Q95 HydrophobicContact CG-CG 4.47Å; V91-Q95 VanDerWaalsContact O-CB 3.22Å; V91-Q95 WeakPolarHBondContact O-CB 3.43Å; V91-Q95 PolarHBondContact O-N 2.83Å; L92-Q95 PolarHBondContact O-N 3.05Å; Q95-Y98 PolarHBondContact O-N 3.35Å; Q95-G99 PolarHBondContact O-N 2.96Å
96S95.8Very high95.3Very high50 Ų5060 Ų6035%0.3535%0.35SS..Hα-helixtrans-62.2-45.3179.4-58.80000111.4L92 C93 T94 G99 L100L92-S96 WeakPolarHBondContact O-CB 3.36Å; L92-S96 PolarHBondContact O-N 2.97Å; L92-S96 PolarHBondContact O-OG 2.89Å; C93-S96 PolarHBondContact O-N 3.02Å; T94-S96 VanDerWaalsContact C-N 3.35Å; T94-S96 PolarHBondContact O-N 2.8Å; S96-G99 PolarHBondContact O-N 3.07Å; S96-L100 WeakPolarHBondContact O-CG 3.31Å; S96-L100 PolarHBondContact O-N 3.22Å; S96-L100 VanDerWaalsContact O-N 3.12Å
97I96.6Very high95.3Very high111 Ų11160.3 Ų60.357%0.56935%0.348SS*.Hα-helixtrans-62.7-47.4177.1-65.4167.1000110.4C93 T94 L100 L101C93-I97 WeakPolarHBondContact O-CG1 3.3Å; C93-I97 PolarHBondContact O-N 3.47Å; C93-I97 VanDerWaalsContact O-N 3.16Å; T94-I97 PolarHBondContact O-N 2.96Å; I97-L100 PolarHBondContact O-N 3.17Å; I97-L101 HydrophobicContact CG2-CD1 4.3Å; I97-L101 WeakPolarHBondContact O-CG 3.39Å; I97-L101 PolarHBondContact O-N 2.87Å; I97-L101 VanDerWaalsContact O-N 3.13Å
98Y96Very high95.3Very high106 Ų10659 Ų5942%0.41634%0.34SS..Hα-helixtrans-66.7-39.7-178.8-174.7-101.7000112.9F28 T94 Q95 L100 L101 I102F28-Y98 AromaticContact CE2-CD1 3.6Å; F28-Y98 HydrophobicContact CE2-CD1 3.6Å; F28-Y98 HydrophobicContact CE2-CE1 4.19Å; F28-Y98 HydrophobicContact CE2-CG 4.28Å; F28-Y98 HydrophobicContact CZ-CD1 4.11Å; F28-Y98 HydrophobicContact CZ-CG 4.35Å; T94-Y98 WeakPolarHBondContact O-CB 2.93Å; T94-Y98 PolarHBondContact O-N 3.23Å; Q95-Y98 PolarHBondContact O-N 3.35Å; Y98-L100 PolarHBondContact O-N 3.23Å; Y98-L101 PolarHBondContact O-N 3.37Å; Y98-I102 HydrophobicContact CD1-CD1 3.74Å; Y98-I102 HydrophobicContact CD1-CG1 4.32Å; Y98-I102 HydrophobicContact CE1-CD1 3.12Å; Y98-I102 HydrophobicContact CE1-CG1 3.96Å; Y98-I102 HydrophobicContact CE2-CD1 4.47Å; Y98-I102 PolarHBondContact O-N 2.74Å
99G95.9Very high95.2Very high3 Ų359 Ų593%0.03134%0.34CS..Hα-helixtrans-59.4-45.6176.100000112Q95 S96 L101 I102 Q103Q95-G99 PolarHBondContact O-N 2.96Å; S96-G99 PolarHBondContact O-N 3.07Å; G99-L101 PolarHBondContact O-N 3.38Å; G99-I102 PolarHBondContact O-N 3.02Å; G99-Q103 WeakPolarHBondContact O-CB 3.26Å; G99-Q103 PolarHBondContact O-N 3.04Å
100L95.9Very high95Very high110 Ų11057.9 Ų57.958%0.57634%0.336SS*.Hα-helixtrans-60.3-45.1174.8-72.3170.2000111.8S96 I97 Y98 I102 Q103 S104S96-L100 WeakPolarHBondContact O-CG 3.31Å; S96-L100 PolarHBondContact O-N 3.22Å; S96-L100 VanDerWaalsContact O-N 3.12Å; I97-L100 PolarHBondContact O-N 3.17Å; Y98-L100 PolarHBondContact O-N 3.23Å; L100-I102 PolarHBondContact O-N 2.86Å; L100-Q103 PolarHBondContact O-N 2.89Å; L100-S104 WeakPolarHBondContact O-CB 3.41Å; L100-S104 PolarHBondContact O-N 2.94Å; L100-S104 PolarHBondContact O-OG 2.77Å; L100-S104 VanDerWaalsContact O-OG 3.06Å
101L95.5Very high94.7Very high114 Ų11462.6 Ų62.660%0.59735%0.347SS*.Hα-helixtrans-61.1-45.3178.8-70.5173.5000112.5I97 Y98 G99 F105I97-L101 HydrophobicContact CG2-CD1 4.3Å; I97-L101 WeakPolarHBondContact O-CG 3.39Å; I97-L101 PolarHBondContact O-N 2.87Å; I97-L101 VanDerWaalsContact O-N 3.13Å; Y98-L101 PolarHBondContact O-N 3.37Å; G99-L101 PolarHBondContact O-N 3.38Å; L101-F105 WeakPolarHBondContact O-CB 3.32Å; L101-F105 PolarHBondContact O-N 2.71Å
102I93.9Very high94.4Very high19 Ų1963.4 Ų63.410%0.09735%0.353CS..Hα-helixtrans-60.6-49.4175.8-73.2-177.9000110.5F21 Y98 G99 L100 S104 F105 I106F21-I102 HydrophobicContact CD1-CG2 4.33Å; F21-I102 HydrophobicContact CE1-CG2 3.95Å; F21-I102 HydrophobicContact CZ-CG2 4.36Å; Y98-I102 HydrophobicContact CD1-CD1 3.74Å; Y98-I102 HydrophobicContact CD1-CG1 4.32Å; Y98-I102 HydrophobicContact CE1-CD1 3.12Å; Y98-I102 HydrophobicContact CE1-CG1 3.96Å; Y98-I102 HydrophobicContact CE2-CD1 4.47Å; Y98-I102 PolarHBondContact O-N 2.74Å; G99-I102 PolarHBondContact O-N 3.02Å; L100-I102 PolarHBondContact O-N 2.86Å; I102-S104 PolarHBondContact O-N 2.93Å; I102-F105 PolarHBondContact O-N 2.88Å; I102-I106 HydrophobicContact CG2-CD1 3.65Å; I102-I106 HydrophobicContact CG2-CG1 4.35Å; I102-I106 WeakPolarHBondContact O-CG1 3.38Å; I102-I106 PolarHBondContact O-N 2.97Å
103Q94.7Very high94Very high101 Ų10162.3 Ų62.347%0.47235%0.347SS..Hα-helixtrans-62.1-44.4-176.5-173.3174.6-7.100111.3G99 L100 F105 A107G99-Q103 WeakPolarHBondContact O-CB 3.26Å; G99-Q103 PolarHBondContact O-N 3.04Å; L100-Q103 PolarHBondContact O-N 2.89Å; Q103-F105 PolarHBondContact O-N 2.88Å; Q103-A107 VanDerWaalsContact O-CB 3.27Å; Q103-A107 WeakPolarHBondContact O-CB 3.22Å; Q103-A107 PolarHBondContact O-N 3.18Å
104S94.5Very high93.5Very high83 Ų8364.6 Ų64.658%0.5835%0.354SS*.Hα-helixtrans-61.5-42.3175.3-63.20000112.3L100 I102 G108L100-S104 WeakPolarHBondContact O-CB 3.41Å; L100-S104 PolarHBondContact O-N 2.94Å; L100-S104 PolarHBondContact O-OG 2.77Å; L100-S104 VanDerWaalsContact O-OG 3.06Å; I102-S104 PolarHBondContact O-N 2.93Å; S104-G108 PolarHBondContact O-N 2.65Å
105F92.4Very high92.9Very high96 Ų9662.6 Ų62.642%0.42135%0.345SS..Hα-helixtrans-66.1-46.1179.8-173.1-107.7000112.2F2 L5 L101 I102 Q103 G108 I109F2-F105 HydrophobicContact CD2-CE2 4.22Å; F2-F105 HydrophobicContact CD2-CZ 4.35Å; L5-F105 HydrophobicContact CD1-CE1 4.07Å; L5-F105 HydrophobicContact CD1-CZ 4.39Å; L101-F105 WeakPolarHBondContact O-CB 3.32Å; L101-F105 PolarHBondContact O-N 2.71Å; I102-F105 PolarHBondContact O-N 2.88Å; Q103-F105 PolarHBondContact O-N 2.88Å; F105-G108 PolarHBondContact O-N 3.15Å; F105-I109 HydrophobicContact CD1-CD1 3.66Å; F105-I109 HydrophobicContact CE1-CD1 3.22Å; F105-I109 HydrophobicContact CE1-CG1 4.33Å; F105-I109 HydrophobicContact CE2-CD1 4.3Å; F105-I109 HydrophobicContact CG-CD1 4.38Å; F105-I109 HydrophobicContact CZ-CD1 3.59Å; F105-I109 HydrophobicContact CZ-CG1 4.41Å; F105-I109 WeakPolarHBondContact O-CG1 3.25Å; F105-I109 PolarHBondContact O-N 3.11Å
106I92.9Very high91.9Very high16 Ų1666.4 Ų66.48%0.08236%0.36CS..Hα-helixtrans-64.3-46.5178.3-67.4174.5000110.4F17 F21 I102 G108 I109 V110F17-I106 HydrophobicContact CB-CD1 4.28Å; F17-I106 HydrophobicContact CB-CG2 4.31Å; F17-I106 HydrophobicContact CD1-CD1 4.22Å; F17-I106 HydrophobicContact CD1-CG1 3.93Å; F17-I106 HydrophobicContact CD1-CG2 3.98Å; F17-I106 HydrophobicContact CD2-CG2 3.93Å; F17-I106 HydrophobicContact CE1-CG1 4.32Å; F17-I106 HydrophobicContact CE1-CG2 4.25Å; F17-I106 HydrophobicContact CE2-CG2 4.21Å; F17-I106 HydrophobicContact CG-CD1 4.45Å; F17-I106 HydrophobicContact CG-CG1 4.45Å; F17-I106 HydrophobicContact CG-CG2 3.82Å; F17-I106 HydrophobicContact CZ-CG2 4.36Å; F21-I106 HydrophobicContact CD2-CD1 4.06Å; F21-I106 HydrophobicContact CE1-CD1 4.45Å; F21-I106 HydrophobicContact CE2-CD1 3.49Å; F21-I106 VanDerWaalsContact CE2-CD1 3.49Å; F21-I106 HydrophobicContact CZ-CD1 3.72Å; I102-I106 HydrophobicContact CG2-CD1 3.65Å; I102-I106 HydrophobicContact CG2-CG1 4.35Å; I102-I106 WeakPolarHBondContact O-CG1 3.38Å; I102-I106 PolarHBondContact O-N 2.97Å; I106-G108 VanDerWaalsContact C-N 3.31Å; I106-G108 PolarHBondContact O-N 3.5Å; I106-I109 PolarHBondContact O-N 3.41Å; I106-V110 HydrophobicContact CG2-CG2 4.25Å; I106-V110 WeakPolarHBondContact O-CG2 3.36Å; I106-V110 PolarHBondContact O-N 3.47Å
107A93.6Very high90.6Very high57 Ų5765.6 Ų65.647%0.47135%0.353SS..Hα-helixtrans-58.8-43.5177.100000111.6Q103 I109 V110 F111Q103-A107 VanDerWaalsContact O-CB 3.27Å; Q103-A107 WeakPolarHBondContact O-CB 3.22Å; Q103-A107 PolarHBondContact O-N 3.18Å; A107-I109 PolarHBondContact O-N 3.15Å; A107-V110 PolarHBondContact O-N 2.89Å; A107-F111 WeakPolarHBondContact O-CB 3.23Å; A107-F111 PolarHBondContact O-N 3.28Å
108G93.5Very high89.2Confident32 Ų3265.7 Ų65.733%0.3335%0.349SS..Hα-helixtrans-60.3-43.2175.200000113.3S104 F105 I106 S112S104-G108 PolarHBondContact O-N 2.65Å; F105-G108 PolarHBondContact O-N 3.15Å; I106-G108 VanDerWaalsContact C-N 3.31Å; I106-G108 PolarHBondContact O-N 3.5Å; G108-S112 VanDerWaalsContact O-CB 3.28Å; G108-S112 WeakPolarHBondContact O-CB 3.25Å; G108-S112 PolarHBondContact O-N 2.91Å; G108-S112 PolarHBondContact O-OG 3.22Å
109I92.4Very high87.9Confident1 Ų166 Ų661%0.00536%0.358CS..Hα-helixtrans-65.3-46.5175.2-68.4171000110.9F2 L5 L6 F17 F105 I106 A107 F111 S112 K113F2-I109 HydrophobicContact CD2-CD1 4.39Å; F2-I109 HydrophobicContact CD2-CG1 3.88Å; F2-I109 HydrophobicContact CE2-CG1 3.6Å; L5-I109 HydrophobicContact CB-CD1 4.22Å; L5-I109 HydrophobicContact CD1-CD1 3.68Å; L6-I109 HydrophobicContact CD2-CG2 3.85Å; F17-I109 HydrophobicContact CE1-CD1 4.44Å; F17-I109 HydrophobicContact CE1-CG2 4.33Å; F17-I109 HydrophobicContact CZ-CB 4.19Å; F17-I109 HydrophobicContact CZ-CG2 3.7Å; F105-I109 HydrophobicContact CD1-CD1 3.66Å; F105-I109 HydrophobicContact CE1-CD1 3.22Å; F105-I109 HydrophobicContact CE1-CG1 4.33Å; F105-I109 HydrophobicContact CE2-CD1 4.3Å; F105-I109 HydrophobicContact CG-CD1 4.38Å; F105-I109 HydrophobicContact CZ-CD1 3.59Å; F105-I109 HydrophobicContact CZ-CG1 4.41Å; F105-I109 WeakPolarHBondContact O-CG1 3.25Å; F105-I109 PolarHBondContact O-N 3.11Å; I106-I109 PolarHBondContact O-N 3.41Å; A107-I109 PolarHBondContact O-N 3.15Å; I109-F111 PolarHBondContact O-N 2.85Å; I109-S112 PolarHBondContact O-N 3.45Å; I109-K113 VanDerWaalsContact O-CB 3.22Å; I109-K113 WeakPolarHBondContact O-CB 3.43Å; I109-K113 PolarHBondContact O-N 3.42Å
110V92.1Very high86.8Confident43 Ų4366.4 Ų66.426%0.26136%0.359SS..Hα-helixtrans-59.7-47.9-179.8169.30000110.3W10 F17 I106 A107 K113 L114W10-V110 HydrophobicContact CH2-CG1 4.35Å; F17-V110 HydrophobicContact CD2-CG2 4.26Å; F17-V110 HydrophobicContact CE2-CG2 3.58Å; F17-V110 HydrophobicContact CZ-CG2 4.23Å; I106-V110 HydrophobicContact CG2-CG2 4.25Å; I106-V110 WeakPolarHBondContact O-CG2 3.36Å; I106-V110 PolarHBondContact O-N 3.47Å; A107-V110 PolarHBondContact O-N 2.89Å; V110-K113 PolarHBondContact O-N 3.03Å; V110-L114 HydrophobicContact CG1-CD1 3.87Å; V110-L114 HydrophobicContact CG1-CG 4.47Å; V110-L114 WeakPolarHBondContact O-CB 3.5Å; V110-L114 WeakPolarHBondContact O-CG 3.4Å; V110-L114 PolarHBondContact O-N 2.98Å
111F90.8Very high85.7Confident154 Ų15462.8 Ų62.868%0.67535%0.345SS*.Hα-helixtrans-59.8-49.1176.4179.1-99.1000111.6A107 I109 K113 L114 A115A107-F111 WeakPolarHBondContact O-CB 3.23Å; A107-F111 PolarHBondContact O-N 3.28Å; I109-F111 PolarHBondContact O-N 2.85Å; F111-K113 VanDerWaalsContact C-N 3.26Å; F111-K113 PolarHBondContact O-N 2.81Å; F111-L114 PolarHBondContact O-N 3.13Å; F111-A115 WeakPolarHBondContact O-CB 3.47Å; F111-A115 PolarHBondContact O-N 3.31Å
112S88.8Confident84.9Confident40 Ų4064.3 Ų64.328%0.2835%0.349SS..Hα-helixtrans-60.9-35.4178.1-60.30000112.5G108 I109 R116G108-S112 VanDerWaalsContact O-CB 3.28Å; G108-S112 WeakPolarHBondContact O-CB 3.25Å; G108-S112 PolarHBondContact O-N 2.91Å; G108-S112 PolarHBondContact O-OG 3.22Å; I109-S112 PolarHBondContact O-N 3.45Å; S112-R116 WeakPolarHBondContact O-CG 3.17Å; S112-R116 PolarHBondContact O-N 2.75Å
113K88.5Confident84.6Confident18 Ų1864.4 Ų64.48%0.07835%0.35CS..Hα-helixtrans-75.1-37.3179.8-163.4-176.4-168.799.80112.3L5 L6 V8 W10 S13 I109 V110 F111L5-K113 PolarHBondContact O-NZ 2.93Å; L6-K113 HydrophobicContact CD2-CB 3.94Å; L6-K113 PolarHBondContact O-NZ 3.32Å; V8-K113 WeakPolarHBondContact O-CE 3.5Å; V8-K113 PolarHBondContact O-NZ 3.34Å; W10-K113 HydrophobicContact CD2-CD 3.94Å; W10-K113 HydrophobicContact CE3-CD 4.08Å; W10-K113 HydrophobicContact CH2-CB 4.25Å; W10-K113 HydrophobicContact CH2-CD 3.79Å; W10-K113 HydrophobicContact CH2-CG 4.27Å; W10-K113 HydrophobicContact CZ2-CB 4.11Å; W10-K113 HydrophobicContact CZ2-CD 3.62Å; W10-K113 HydrophobicContact CZ2-CG 3.81Å; W10-K113 HydrophobicContact CZ3-CD 4.01Å; S13-K113 PolarHBondContact OG-NZ 2.77Å; I109-K113 VanDerWaalsContact O-CB 3.22Å; I109-K113 WeakPolarHBondContact O-CB 3.43Å; I109-K113 PolarHBondContact O-N 3.42Å; V110-K113 PolarHBondContact O-N 3.03Å; F111-K113 VanDerWaalsContact C-N 3.26Å; F111-K113 PolarHBondContact O-N 2.81Å
114L85.7Confident84.5Confident120 Ų12060 Ų6063%0.62833%0.33SS*.Hα-helixtrans-70.9-35.6174.4-73.2171.1000112W10 V110 F111 R116W10-L114 HydrophobicContact CH2-CD2 3.95Å; W10-L114 HydrophobicContact CH2-CG 3.94Å; W10-L114 HydrophobicContact CZ2-CD2 3.59Å; W10-L114 HydrophobicContact CZ2-CG 3.9Å; V110-L114 HydrophobicContact CG1-CD1 3.87Å; V110-L114 HydrophobicContact CG1-CG 4.47Å; V110-L114 WeakPolarHBondContact O-CB 3.5Å; V110-L114 WeakPolarHBondContact O-CG 3.4Å; V110-L114 PolarHBondContact O-N 2.98Å; F111-L114 PolarHBondContact O-N 3.13Å; L114-R116 VanDerWaalsContact C-N 3.27Å; L114-R116 PolarHBondContact O-N 3.45Å
115A83Confident84.5Confident39 Ų3957.5 Ų57.532%0.32231%0.31SS..Hα-helixtrans-63.4-35176.200000111.5F111 M238F111-A115 WeakPolarHBondContact O-CB 3.47Å; F111-A115 PolarHBondContact O-N 3.31Å; A115-M238 HydrophobicContact CB-CE 4.22Å; A115-M238 WeakPolarHBondContact O-CE 3.33Å
116R77.6Confident84.7Confident82 Ų8253.9 Ų53.931%0.30929%0.294SS..SBendtrans-55.8130.6-174.2-84.9-176.8-178.2-139.6-1112.4D7 S112 L114 K118D7-R116 IonicContact OD1-CZ 3.88Å; D7-R116 IonicContact OD1-NH1 3.24Å; D7-R116 PolarHBondContact OD1-NH1 3.47Å; D7-R116 IonicContact OD2-NH1 3.32Å; S112-R116 WeakPolarHBondContact O-CG 3.17Å; S112-R116 PolarHBondContact O-N 2.75Å; L114-R116 VanDerWaalsContact C-N 3.27Å; L114-R116 PolarHBondContact O-N 3.45Å; R116-K118 PolarHBondContact O-N 2.91Å
117P67.9Low84.9Confident33 Ų3353.2 Ų53.221%0.21429%0.291CS..  trans-88.942.2-169.537.5-35.9000113.3N119 R120 I233 M238P117-N119 PolarHBondContact O-N 2.94Å; P117-R120 HydrophobicContact CB-CB 4.34Å; P117-R120 PolarHBondContact O-N 3.11Å; P117-I233 HydrophobicContact CB-CD1 3.05Å; P117-I233 HydrophobicContact CG-CD1 3.5Å; P117-I233 VanDerWaalsContact CG-CD1 3.5Å; P117-M238 HydrophobicContact CG-CB 4.27Å; P117-M238 HydrophobicContact CG-CE 4.3Å
118K67.7Low85Confident112 Ų11257 Ų5749%0.48730%0.297SS..Hα-helixtrans-58-37.1-174.3-71.9-171.3175.4-1760112.4D7 R116 R120D7-K118 IonicContact OD1-NZ 3.52Å; R116-K118 PolarHBondContact O-N 2.91Å; K118-R120 PolarHBondContact O-N 3.2Å
119N69.1Low85.2Confident113 Ų11359.1 Ų59.160%0.60430%0.297SS*.Hα-helixtrans-77.6-5.4-178.7-55.5-5.4000113.4P117P117-N119 PolarHBondContact O-N 2.94Å
120R72.2Confident85.5Confident11 Ų1159 Ų594%0.04230%0.296CS..Hα-helixtrans-87.3-28.6179.5-172.8150.7173-173.30.6112.7P117 K118 E122 T123 D147 H152 I233P117-R120 HydrophobicContact CB-CB 4.34Å; P117-R120 PolarHBondContact O-N 3.11Å; K118-R120 PolarHBondContact O-N 3.2Å; R120-E122 PolarHBondContact O-N 2.95Å; R120-T123 PolarHBondContact O-N 3.44Å; R120-T123 VanDerWaalsContact O-N 3.15Å; R120-T123 PolarHBondContact O-OG1 3.04Å; R120-T123 VanDerWaalsContact O-OG1 3.05Å; R120-D147 IonicContact NH2-OD2 3.91Å; R120-H152 PolarHBondContact NH2-O 3.43Å; R120-I233 HydrophobicContact CB-CD1 3.87Å; R120-I233 HydrophobicContact CG-CD1 3.91Å; R120-I233 HydrophobicContact CG-CG1 4.23Å
121A72.8Confident85.8Confident34 Ų3457 Ų5728%0.28128%0.284SS..Hα-helixtrans-60.7-28.3169.700000111.9T123 L124A121-T123 VanDerWaalsContact C-N 3.34Å; A121-L124 PolarHBondContact O-N 2.94Å
122E78.9Confident86.1Confident147 Ų14749.8 Ų49.869%0.68725%0.252SS*.THydrogen-bonded Turntrans-74-20.6178-60.9-179.3168.100113.7R120R120-E122 PolarHBondContact O-N 2.95Å
123T87.1Confident86.5Confident21 Ų2147.9 Ų47.913%0.12924%0.239CC..THydrogen-bonded Turntrans-88.4-14.2176.465.60000113.1R120 A121 I125 M148 R149R120-T123 PolarHBondContact O-N 3.44Å; R120-T123 VanDerWaalsContact O-N 3.15Å; R120-T123 PolarHBondContact O-OG1 3.04Å; R120-T123 VanDerWaalsContact O-OG1 3.05Å; A121-T123 VanDerWaalsContact C-N 3.34Å; T123-I125 PolarHBondContact O-N 3.18Å; T123-M148 PolarHBondContact O-N 3.08Å; T123-R149 HydrophobicContact CG2-CG 4.15Å; T123-R149 PolarHBondContact OG1-NH1 2.66Å
124L92.4Very high86.8Confident7 Ų749 Ų494%0.03725%0.246CC..EExtended strand (participates in β ladder)trans-84107.4171.2-64179.7000108.6A121 D147 L153 L194 L229 A242A121-L124 PolarHBondContact O-N 2.94Å; L124-D147 HydrophobicContact CD2-CB 3.9Å; L124-L153 HydrophobicContact CD1-CD2 4Å; L124-L153 HydrophobicContact CD2-CD2 3.97Å; L124-L194 HydrophobicContact CD2-CD2 4.31Å; L124-L229 HydrophobicContact CB-CD2 4.15Å; L124-L229 HydrophobicContact CD1-CD2 4.02Å; L124-L229 HydrophobicContact CD1-CG 4.37Å; L124-L229 HydrophobicContact CD2-CD2 4.04Å; L124-L229 HydrophobicContact CG-CD2 4.29Å; L124-A242 HydrophobicContact CB-CB 3.69Å; L124-A242 HydrophobicContact CD1-CB 3.93Å; L124-A242 HydrophobicContact CG-CB 4.45Å
125I94.2Very high87.2Confident31 Ų3149.3 Ų49.316%0.15924%0.238CC..EExtended strand (participates in β ladder)trans-107.6145.5-173.865.1166.6000111.8T123 V145 G146 M148 W274 F277T123-I125 PolarHBondContact O-N 3.18Å; I125-V145 WeakPolarHBondContact O-CA 3.31Å; I125-G146 PolarHBondContact N-O 3.28Å; I125-G146 PolarHBondContact O-N 2.78Å; I125-M148 HydrophobicContact CD1-CG 3.97Å; I125-M148 HydrophobicContact CD1-SD 4.15Å; I125-M148 HydrophobicContact CG1-CG 4.26Å; I125-M148 HydrophobicContact CG2-CE 3.93Å; I125-M148 HydrophobicContact CG2-CG 4.24Å; I125-M148 HydrophobicContact CG2-SD 4.27Å; I125-W274 HydrophobicContact CD1-CE3 3.69Å; I125-W274 HydrophobicContact CD1-CZ3 3.52Å; I125-W274 HydrophobicContact CG1-CZ3 4.07Å; I125-F277 HydrophobicContact CB-CE1 4.45Å; I125-F277 HydrophobicContact CD1-CD1 3.78Å; I125-F277 HydrophobicContact CD1-CD2 4.33Å; I125-F277 HydrophobicContact CD1-CE1 3.62Å; I125-F277 HydrophobicContact CD1-CE2 4.17Å; I125-F277 HydrophobicContact CD1-CG 4.16Å; I125-F277 HydrophobicContact CD1-CZ 3.84Å; I125-F277 HydrophobicContact CG1-CD1 4.47Å; I125-F277 HydrophobicContact CG1-CE1 3.81Å; I125-F277 HydrophobicContact CG1-CE2 4.23Å; I125-F277 HydrophobicContact CG1-CZ 3.69Å
126F97.1Very high87.6Confident20 Ų2055.1 Ų55.19%0.08826%0.264CS..EExtended strand (participates in β ladder)trans-112.2153.6173.5-63.3-93.9000110.8F143 R144 V145 A227 L229 A242 T244 H278F126-F143 HydrophobicContact CD1-CD2 4.2Å; F126-F143 HydrophobicContact CD1-CE2 4.13Å; F126-F143 HydrophobicContact CE1-CE2 4.22Å; F126-R144 CarbonylContact C-O 3.59Å; F126-R144 WeakPolarHBondContact CA-O 3.26Å; F126-V145 HydrophobicContact CD1-CG1 3.55Å; F126-V145 HydrophobicContact CE1-CG1 3.6Å; F126-A227 HydrophobicContact CD1-CB 4.39Å; F126-A227 HydrophobicContact CE1-CB 4.13Å; F126-L229 HydrophobicContact CE1-CB 4.1Å; F126-L229 HydrophobicContact CZ-CB 3.6Å; F126-A242 HydrophobicContact CE2-CB 3.79Å; F126-A242 HydrophobicContact CZ-CB 4.3Å; F126-A242 WeakPolarHBondContact CZ-O 3.35Å; F126-T244 HydrophobicContact CB-CG2 3.53Å; F126-T244 HydrophobicContact CD1-CG2 3.49Å; F126-T244 VanDerWaalsContact CD1-CG2 3.49Å; F126-T244 HydrophobicContact CD2-CG2 3.81Å; F126-T244 HydrophobicContact CE1-CG2 4.08Å; F126-T244 HydrophobicContact CE2-CG2 4.35Å; F126-T244 HydrophobicContact CG-CG2 3.33Å; F126-T244 HydrophobicContact CZ-CG2 4.47Å; F126-H278 PolarHBondContact O-CE1 3.44Å
127S97.5Very high88.2Confident2 Ų253 Ų531%0.01427%0.268CS..  trans-57.4138.7169.845.80000110.9F129 R144 Y246S127-F129 WeakPolarHBondContact CB-O 3.46Å; S127-F129 PolarHBondContact O-N 3.25Å; S127-F129 PolarHBondContact OG-O 3.05Å; S127-R144 PolarHBondContact N-O 2.96Å; S127-R144 PolarHBondContact OG-N 2.8Å; S127-Y246 VanDerWaalsContact O-CE1 3.24Å; S127-Y246 WeakPolarHBondContact O-CE1 3.44Å; S127-Y246 PolarHBondContact O-OH 3.15Å; S127-Y246 PolarHBondContact OG-OH 2.95Å
128K96.7Very high89.4Confident138 Ų13856.7 Ų56.760%0.628%0.281SS*.SBendtrans-63.8-29.1173.9-71.4-178.7-179-174.50113.3H278K128-H278 PolarHBondContact N-ND1 3.32Å
129F97.5Very high90.8Very high75 Ų7551.7 Ų51.733%0.32926%0.259SS..SBendtrans-125.1140.9-178.9-57.7-71.8000109.5S127 E250 H252 F257S127-F129 WeakPolarHBondContact CB-O 3.46Å; S127-F129 PolarHBondContact O-N 3.25Å; S127-F129 PolarHBondContact OG-O 3.05Å; F129-E250 WeakPolarHBondContact CA-O 3.44Å; F129-E250 HydrophobicContact CD1-CB 4.37Å; F129-H252 AromaticContact CD1-CE1 3.59Å; F129-H252 AromaticContact CD1-NE2 3.55Å; F129-H252 AromaticContact CE1-CE1 3.92Å; F129-H252 AromaticContact CE1-NE2 3.9Å; F129-H252 AromaticContact CG-NE2 3.63Å; F129-F257 WeakPolarHBondContact O-CE1 3.34Å; F129-F257 VanDerWaalsContact O-CZ 3.25Å; F129-F257 WeakPolarHBondContact O-CZ 3.46Å
130A98.1Very high92.1Very high0 Ų046.5 Ų46.50%023%0.231CC..EExtended strand (participates in β ladder)trans-91.4157.616500000109.7F141 L142 F143 Y246 E250 I251 H252A130-F141 HydrophobicContact CB-CD2 4.38Å; A130-F141 HydrophobicContact CB-CE1 4.24Å; A130-F141 HydrophobicContact CB-CE2 3.44Å; A130-F141 VanDerWaalsContact CB-CE2 3.44Å; A130-F141 HydrophobicContact CB-CZ 3.35Å; A130-L142 CarbonylContact C-O 3.51Å; A130-L142 WeakPolarHBondContact CA-O 3.3Å; A130-F143 HydrophobicContact CB-CB 4.43Å; A130-Y246 HydrophobicContact CB-CD1 3.73Å; A130-Y246 HydrophobicContact CB-CD2 4.3Å; A130-Y246 HydrophobicContact CB-CE1 3.97Å; A130-Y246 HydrophobicContact CB-CG 3.89Å; A130-E250 PolarHBondContact N-O 3.01Å; A130-I251 HydrophobicContact CB-CG1 4.31Å; A130-I251 CarbonylContact O-C 3.47Å; A130-I251 WeakPolarHBondContact O-CA 3.39Å; A130-H252 PolarHBondContact O-N 2.99Å
131C97.7Very high93.4Very high0 Ų046 Ų460%023%0.229CC..EExtended strand (participates in β ladder)trans-124.8141.5-178.3-69.50000110.7F141 L142 H252 H255 F257 T280C131-F141 CarbonylContact O-C 3.57Å; C131-L142 HydrophobicContact CB-CB 4.27Å; C131-L142 PolarHBondContact N-O 3.49Å; C131-L142 PolarHBondContact O-N 3.06Å; C131-H252 WeakPolarHBondContact CA-O 3.18Å; C131-H255 HydrophobicContact CB-CB 4.29Å; C131-H255 WeakPolarHBondContact CB-O 3.41Å; C131-F257 HydrophobicContact CB-CE2 4.31Å; C131-T280 WeakPolarHBondContact SG-CG2 3.44Å
132I98Very high94.5Very high2 Ų244.8 Ų44.81%0.0122%0.219CC..EExtended strand (participates in β ladder)trans-112.8121.5166.5-66.9174.4000108.7L139 C140 F141 I204 L218 I251 H252 W253 G254 H255I132-L139 HydrophobicContact CG2-CD1 3.91Å; I132-L139 HydrophobicContact CG2-CD2 3.83Å; I132-L139 HydrophobicContact CG2-CG 3.69Å; I132-C140 VanDerWaalsContact CA-O 3.31Å; I132-C140 WeakPolarHBondContact CA-O 3.27Å; I132-F141 HydrophobicContact CD1-CD2 4.33Å; I132-F141 HydrophobicContact CG1-CB 4.42Å; I132-F141 HydrophobicContact CG1-CD2 3.97Å; I132-I204 HydrophobicContact CD1-CD1 4.42Å; I132-I204 HydrophobicContact CG2-CD1 4.23Å; I132-L218 HydrophobicContact CD1-CD2 3.55Å; I132-I251 HydrophobicContact CD1-CG2 3.62Å; I132-I251 HydrophobicContact CG1-CG2 3.75Å; I132-H252 PolarHBondContact N-O 3.25Å; I132-W253 HydrophobicContact CB-CD2 4.27Å; I132-W253 HydrophobicContact CB-CE3 4.06Å; I132-W253 HydrophobicContact CD1-CE3 3.75Å; I132-W253 HydrophobicContact CD1-CZ3 3.92Å; I132-W253 HydrophobicContact CG2-CD2 3.95Å; I132-W253 HydrophobicContact CG2-CE3 3.79Å; I132-W253 HydrophobicContact CG2-CH2 4.22Å; I132-W253 HydrophobicContact CG2-CZ2 4.33Å; I132-W253 HydrophobicContact CG2-CZ3 3.94Å; I132-G254 WeakPolarHBondContact O-CA 3.27Å; I132-G254 PolarHBondContact O-N 3.13Å; I132-H255 PolarHBondContact O-N 3.5Å
133S96.9Very high95.4Very high0 Ų037.8 Ų37.80%019%0.186CC..EExtended strand (participates in β ladder)trans-150.2168.1173.265.30000112.3C140 H255 R256S133-C140 PolarHBondContact N-O 3.37Å; S133-C140 VanDerWaalsContact N-O 3.08Å; S133-C140 PolarHBondContact O-N 2.99Å; S133-H255 VanDerWaalsContact CB-O 3.26Å; S133-H255 WeakPolarHBondContact CB-O 3.12Å; S133-H255 PolarHBondContact OG-O 2.78Å; S133-R256 WeakPolarHBondContact OG-CG 3.33Å
134I95.6Very high95.9Very high43 Ų4337.3 Ų37.322%0.22118%0.182CC..EExtended strand (participates in β ladder)trans-75.3131.2173.2-74.1-177.8000110.1K138 L139 R256 T285 P286I134-K138 CarbonylContact C-O 3.57Å; I134-K138 VanDerWaalsContact CA-O 3.25Å; I134-K138 WeakPolarHBondContact CA-O 3.41Å; I134-L139 HydrophobicContact CG1-CD1 4.12Å; I134-R256 PolarHBondContact O-NH2 3.44Å; I134-T285 HydrophobicContact CG1-CG2 4.24Å; I134-P286 HydrophobicContact CD1-CG 3.59Å
135R93.4Very high96.1Very high125 Ų12537 Ų3747%0.47218%0.18SC..EExtended strand (participates in β ladder)trans-131.3125.6167-165174.1-176.6176.10.5108.9G137 K138 C140R135-G137 PolarHBondContact O-N 3.13Å; R135-K138 PolarHBondContact N-O 3.24Å; R135-K138 PolarHBondContact O-N 3.09Å; R135-C140 HydrophobicContact CB-CB 4.47Å
136N90.9Very high96.1Very high161 Ų16135.5 Ų35.586%0.86117%0.172SC*.THydrogen-bonded Turntrans50.440.6-176.6-59.7-28.3000113.6K138N136-K138 PolarHBondContact O-N 3.43Å
137G90.6Very high95.8Very high38 Ų3835 Ų3539%0.39217%0.17SC..THydrogen-bonded Turntrans76.4-6.5179.600000115.5R135 K297R135-G137 PolarHBondContact O-N 3.13Å; G137-K297 PolarHBondContact O-NZ 2.92Å
138K93.7Very high95.4Very high111 Ų11139.8 Ų39.848%0.48319%0.194SC..EExtended strand (participates in β ladder)trans-101.8150.5174.2-63.8-165.7175.8-162.10110.8I134 R135 N136 V203I134-K138 CarbonylContact C-O 3.57Å; I134-K138 VanDerWaalsContact CA-O 3.25Å; I134-K138 WeakPolarHBondContact CA-O 3.41Å; R135-K138 PolarHBondContact N-O 3.24Å; R135-K138 PolarHBondContact O-N 3.09Å; N136-K138 PolarHBondContact O-N 3.43Å; K138-V203 HydrophobicContact CB-CG1 4.09Å; K138-V203 HydrophobicContact CD-CG1 3.56Å; K138-V203 HydrophobicContact CG-CG1 4.48Å
139L96.5Very high94.8Very high7 Ų738.5 Ų38.54%0.03719%0.185CC..EExtended strand (participates in β ladder)trans-78.2133.2173-16079.6000108.2I132 I134 I204 W253 T285 A290 L293I132-L139 HydrophobicContact CG2-CD1 3.91Å; I132-L139 HydrophobicContact CG2-CD2 3.83Å; I132-L139 HydrophobicContact CG2-CG 3.69Å; I134-L139 HydrophobicContact CG1-CD1 4.12Å; L139-I204 HydrophobicContact CB-CB 4.38Å; L139-I204 HydrophobicContact CB-CD1 4.43Å; L139-I204 HydrophobicContact CD2-CD1 3.73Å; L139-I204 HydrophobicContact CG-CD1 4.03Å; L139-I204 WeakPolarHBondContact O-CB 3.18Å; L139-I204 PolarHBondContact O-N 2.97Å; L139-W253 HydrophobicContact CD1-CZ2 4.03Å; L139-W253 HydrophobicContact CD2-CH2 3.43Å; L139-W253 VanDerWaalsContact CD2-CH2 3.43Å; L139-W253 HydrophobicContact CD2-CZ2 3.76Å; L139-W253 HydrophobicContact CD2-CZ3 4.21Å; L139-T285 HydrophobicContact CD1-CG2 3.97Å; L139-A290 HydrophobicContact CB-CB 4.38Å; L139-A290 HydrophobicContact CD2-CB 4.27Å; L139-L293 HydrophobicContact CD1-CD1 4.37Å
140C97.4Very high94Very high3 Ų342.7 Ų42.72%0.0221%0.211CC..EExtended strand (participates in β ladder)trans-132.2136.5-175.4-65.50000110.6I132 S133 R135 L142 H202I132-C140 VanDerWaalsContact CA-O 3.31Å; I132-C140 WeakPolarHBondContact CA-O 3.27Å; S133-C140 PolarHBondContact N-O 3.37Å; S133-C140 VanDerWaalsContact N-O 3.08Å; S133-C140 PolarHBondContact O-N 2.99Å; R135-C140 HydrophobicContact CB-CB 4.47Å; C140-L142 HydrophobicContact CB-CD2 4.05Å; C140-L142 HydrophobicContact CB-CG 4.4Å; C140-H202 CarbonylContact C-O 3.58Å; C140-H202 VanDerWaalsContact CA-O 3.23Å; C140-H202 WeakPolarHBondContact CA-O 3.31Å
141F97.8Very high93.5Very high0 Ų045.7 Ų45.70%023%0.229CC..EExtended strand (participates in β ladder)trans-88.6128.1166.1176.5-91000108.9A130 C131 I132 F143 L160 M181 H202 I204 L210 I225 Y246 I251A130-F141 HydrophobicContact CB-CD2 4.38Å; A130-F141 HydrophobicContact CB-CE1 4.24Å; A130-F141 HydrophobicContact CB-CE2 3.44Å; A130-F141 VanDerWaalsContact CB-CE2 3.44Å; A130-F141 HydrophobicContact CB-CZ 3.35Å; C131-F141 CarbonylContact O-C 3.57Å; I132-F141 HydrophobicContact CD1-CD2 4.33Å; I132-F141 HydrophobicContact CG1-CB 4.42Å; I132-F141 HydrophobicContact CG1-CD2 3.97Å; F141-F143 HydrophobicContact CD1-CD1 4.24Å; F141-F143 AromaticContact CE1-CD1 3.74Å; F141-F143 HydrophobicContact CE1-CD1 3.74Å; F141-F143 HydrophobicContact CE1-CE1 4.36Å; F141-L160 HydrophobicContact CD1-CD2 3.79Å; F141-L160 HydrophobicContact CE1-CD1 4.28Å; F141-L160 HydrophobicContact CE1-CD2 3.79Å; F141-M181 HydrophobicContact CD1-CE 4.47Å; F141-H202 HydrophobicContact CB-CB 4.2Å; F141-H202 HydrophobicContact CD1-CB 4.41Å; F141-H202 PolarHBondContact N-O 3.19Å; F141-H202 PolarHBondContact O-N 3Å; F141-I204 HydrophobicContact CB-CD1 4.33Å; F141-I204 HydrophobicContact CB-CG1 4.46Å; F141-L210 HydrophobicContact CB-CD1 4.36Å; F141-L210 HydrophobicContact CD2-CD1 4.24Å; F141-L210 HydrophobicContact CG-CD1 4.46Å; F141-I225 HydrophobicContact CD2-CD1 4.23Å; F141-I225 HydrophobicContact CE1-CG2 4.19Å; F141-I225 HydrophobicContact CE2-CD1 3.69Å; F141-I225 HydrophobicContact CZ-CB 4.45Å; F141-I225 HydrophobicContact CZ-CD1 3.89Å; F141-I225 HydrophobicContact CZ-CG2 4.07Å; F141-Y246 HydrophobicContact CZ-CD2 4.18Å; F141-Y246 HydrophobicContact CZ-CG 4.5Å; F141-I251 HydrophobicContact CD2-CG2 4.27Å; F141-I251 HydrophobicContact CE2-CD1 3.95Å; F141-I251 HydrophobicContact CE2-CG1 4.01Å; F141-I251 HydrophobicContact CE2-CG2 4.03Å
142L97.7Very high93Very high10 Ų1049.4 Ų49.45%0.05225%0.246CC..EExtended strand (participates in β ladder)trans-127.8134.5-170-54.4171.4000109.6A130 C131 C140 T199 I200 C201 F257A130-L142 CarbonylContact C-O 3.51Å; A130-L142 WeakPolarHBondContact CA-O 3.3Å; C131-L142 HydrophobicContact CB-CB 4.27Å; C131-L142 PolarHBondContact N-O 3.49Å; C131-L142 PolarHBondContact O-N 3.06Å; C140-L142 HydrophobicContact CB-CD2 4.05Å; C140-L142 HydrophobicContact CB-CG 4.4Å; L142-T199 HydrophobicContact CB-CG2 4.08Å; L142-T199 HydrophobicContact CD2-CG2 4.36Å; L142-I200 VanDerWaalsContact CA-O 3.3Å; L142-I200 WeakPolarHBondContact CA-O 3.5Å; L142-C201 HydrophobicContact CD2-CB 3.69Å; L142-F257 HydrophobicContact CB-CD2 4.46Å; L142-F257 HydrophobicContact CB-CE2 4.02Å
143F97.6Very high92.7Very high0 Ų049.8 Ų49.80%025%0.248CC..EExtended strand (participates in β ladder)trans-142.4159.216667.3-82.3000109.6F126 A130 F141 V145 V158 L160 T199 I200 A227 Y246F126-F143 HydrophobicContact CD1-CD2 4.2Å; F126-F143 HydrophobicContact CD1-CE2 4.13Å; F126-F143 HydrophobicContact CE1-CE2 4.22Å; A130-F143 HydrophobicContact CB-CB 4.43Å; F141-F143 HydrophobicContact CD1-CD1 4.24Å; F141-F143 AromaticContact CE1-CD1 3.74Å; F141-F143 HydrophobicContact CE1-CD1 3.74Å; F141-F143 HydrophobicContact CE1-CE1 4.36Å; F143-V145 HydrophobicContact CD2-CG1 3.98Å; F143-V145 HydrophobicContact CE2-CG1 3.66Å; F143-V158 HydrophobicContact CE2-CG1 4.24Å; F143-V158 HydrophobicContact CZ-CG1 3.63Å; F143-L160 HydrophobicContact CD1-CD1 4.42Å; F143-L160 HydrophobicContact CE1-CD1 3.72Å; F143-L160 HydrophobicContact CE1-CD2 4.2Å; F143-L160 HydrophobicContact CE1-CG 4.49Å; F143-L160 HydrophobicContact CZ-CD1 4.09Å; F143-T199 CarbonylContact O-C 3.51Å; F143-T199 WeakPolarHBondContact O-CA 3.38Å; F143-I200 HydrophobicContact CD1-CB 4.01Å; F143-I200 HydrophobicContact CD1-CG2 4.34Å; F143-I200 HydrophobicContact CD2-CB 4.37Å; F143-I200 HydrophobicContact CD2-CG1 4.34Å; F143-I200 HydrophobicContact CE1-CB 3.65Å; F143-I200 HydrophobicContact CE1-CG1 4.35Å; F143-I200 HydrophobicContact CE1-CG2 3.56Å; F143-I200 HydrophobicContact CE2-CB 4.04Å; F143-I200 HydrophobicContact CE2-CG1 3.85Å; F143-I200 HydrophobicContact CE2-CG2 4.48Å; F143-I200 HydrophobicContact CG-CB 4.37Å; F143-I200 HydrophobicContact CZ-CB 3.68Å; F143-I200 HydrophobicContact CZ-CG1 3.88Å; F143-I200 HydrophobicContact CZ-CG2 3.67Å; F143-I200 PolarHBondContact N-O 3.43Å; F143-I200 PolarHBondContact O-N 3.27Å; F143-A227 HydrophobicContact CD2-CB 4.29Å; F143-A227 HydrophobicContact CE1-CB 4.43Å; F143-A227 HydrophobicContact CE2-CB 3.69Å; F143-A227 HydrophobicContact CZ-CB 3.75Å; F143-Y246 HydrophobicContact CB-CE2 3.98Å; F143-Y246 WeakPolarHBondContact CB-OH 3.37Å; F143-Y246 HydrophobicContact CD2-CE2 4.38Å; F143-Y246 HydrophobicContact CG-CE2 4.15Å
144R96.8Very high92.4Very high11 Ų1153.5 Ų53.54%0.04227%0.268CS..EExtended strand (participates in β ladder)trans-108.5140.8-177.3-166.4174.9-77.4169.8-22.9110.5F126 S127 P197 V198 F257 E258 L260 L276 F277F126-R144 CarbonylContact C-O 3.59Å; F126-R144 WeakPolarHBondContact CA-O 3.26Å; S127-R144 PolarHBondContact N-O 2.96Å; S127-R144 PolarHBondContact OG-N 2.8Å; R144-P197 HydrophobicContact CG-CB 4.25Å; R144-V198 WeakPolarHBondContact CA-O 3.24Å; R144-F257 HydrophobicContact CB-CE1 4.34Å; R144-F257 HydrophobicContact CB-CZ 4.3Å; R144-E258 PolarHBondContact NH1-O 3.18Å; R144-E258 PolarHBondContact NH2-O 3.06Å; R144-L260 VanDerWaalsContact NH1-CD2 3.32Å; R144-L276 PolarHBondContact NH1-O 3.19Å; R144-F277 HydrophobicContact CB-CE2 4.35Å; R144-F277 HydrophobicContact CB-CZ 4.2Å; R144-F277 HydrophobicContact CG-CD2 4.1Å; R144-F277 HydrophobicContact CG-CE2 3.55Å; R144-F277 HydrophobicContact CG-CZ 3.88Å; R144-F277 PolarHBondContact NH1-O 3.39Å
145V96.1Very high92.3Very high0 Ų058.7 Ų58.70%029%0.291CS..EExtended strand (participates in β ladder)trans-123.3148.4172.4-65.20000109.1I125 F126 F143 L192 L194 P197 V198 I200I125-V145 WeakPolarHBondContact O-CA 3.31Å; F126-V145 HydrophobicContact CD1-CG1 3.55Å; F126-V145 HydrophobicContact CE1-CG1 3.6Å; F143-V145 HydrophobicContact CD2-CG1 3.98Å; F143-V145 HydrophobicContact CE2-CG1 3.66Å; V145-L192 HydrophobicContact CG2-CD1 3.88Å; V145-L194 HydrophobicContact CG2-CD1 3.84Å; V145-P197 CarbonylContact O-C 3.5Å; V145-P197 VanDerWaalsContact O-CA 3.23Å; V145-P197 WeakPolarHBondContact O-CA 3.34Å; V145-V198 HydrophobicContact CG2-CB 4.28Å; V145-V198 PolarHBondContact N-O 3.47Å; V145-V198 PolarHBondContact O-N 3.37Å; V145-I200 HydrophobicContact CG1-CG1 4.15Å; V145-I200 HydrophobicContact CG2-CD1 3.82Å; V145-I200 HydrophobicContact CG2-CG1 3.84Å
146G93.7Very high92.3Very high0 Ų052.8 Ų52.80%027%0.269CS..EExtended strand (participates in β ladder)trans-155.6152.6174.500000111.7I125I125-G146 PolarHBondContact N-O 3.28Å; I125-G146 PolarHBondContact O-N 2.78Å
147D92.6Very high92.5Very high9 Ų947 Ų475%0.04824%0.237CC..EExtended strand (participates in β ladder)trans-104.4125.3166.4-166.1-12000107.9R120 L124 R149 L194 W274R120-D147 IonicContact NH2-OD2 3.91Å; L124-D147 HydrophobicContact CD2-CB 3.9Å; D147-R149 VanDerWaalsContact C-N 3.26Å; D147-R149 PolarHBondContact OD1-N 2.9Å; D147-L194 HydrophobicContact CB-CD2 4.16Å; D147-L194 HydrophobicContact CB-CG 4.42Å; D147-W274 WeakPolarHBondContact O-CH2 3.49Å; D147-W274 WeakPolarHBondContact O-CZ2 3.39Å
148M87.2Confident92.8Very high102 Ų10245.2 Ų45.250%0.50222%0.219SC..  trans-79.9-7.6177.6-68.2-159.2-64.900113.2T123 I125 W274T123-M148 PolarHBondContact O-N 3.08Å; I125-M148 HydrophobicContact CD1-CG 3.97Å; I125-M148 HydrophobicContact CD1-SD 4.15Å; I125-M148 HydrophobicContact CG1-CG 4.26Å; I125-M148 HydrophobicContact CG2-CE 3.93Å; I125-M148 HydrophobicContact CG2-CG 4.24Å; I125-M148 HydrophobicContact CG2-SD 4.27Å; M148-W274 HydrophobicContact CG-CH2 4.15Å; M148-W274 HydrophobicContact CG-CZ2 4.29Å; M148-W274 HydrophobicContact CG-CZ3 4.27Å
149R85.1Confident93Very high112 Ų11245.6 Ų45.642%0.42322%0.217SC..SBendtrans-93.6155.1177.5-75.9-172.6165126.6-4.1112.2T123 D147 T151T123-R149 HydrophobicContact CG2-CG 4.15Å; T123-R149 PolarHBondContact OG1-NH1 2.66Å; D147-R149 VanDerWaalsContact C-N 3.26Å; D147-R149 PolarHBondContact OD1-N 2.9Å; R149-T151 VanDerWaalsContact C-N 3.33Å
150D81.1Confident93Very high163 Ų16345.2 Ų45.287%0.87222%0.215SC*.SBendtrans-74.4-24.1172.6-58.5-40.8000112.8
151T87.2Confident93Very high62 Ų6247.8 Ų47.838%0.3823%0.227SC..SBendtrans-72.8144.2178.857.90000111.8R149R149-T151 VanDerWaalsContact C-N 3.33Å
152H87.5Confident93Very high78 Ų7847.8 Ų47.836%0.36123%0.227SC..  trans-80.1141.8-173.7-61.3-60.7000113.1R120 L154 E234R120-H152 PolarHBondContact NH2-O 3.43Å; H152-L154 HydrophobicContact CB-CD2 4.27Å; H152-E234 PolarHBondContact N-OE2 2.75Å; H152-E234 VanDerWaalsContact N-OE2 3.11Å
153L90.9Very high93Very high10 Ų1048.9 Ų48.95%0.05223%0.232CC..EExtended strand (participates in β ladder)trans-88.4105.5162.5-171.970000108.1L124 A156 L194 L229L124-L153 HydrophobicContact CD1-CD2 4Å; L124-L153 HydrophobicContact CD2-CD2 3.97Å; L153-A156 HydrophobicContact CB-CB 4.37Å; L153-A156 HydrophobicContact CD2-CB 3.75Å; L153-A156 HydrophobicContact CG-CB 4.01Å; L153-L194 HydrophobicContact CD2-CD2 4.37Å; L153-L229 HydrophobicContact CD2-CD1 4.3Å; L153-L229 HydrophobicContact CD2-CD2 4.39Å; L153-L229 HydrophobicContact CD2-CG 4.28Å
154L91.5Very high92.9Very high78 Ų7852 Ų5241%0.40824%0.244SC..EExtended strand (participates in β ladder)trans-75.5147.8-178.7-57177.8000110H152 A156 G231 I232 E234H152-L154 HydrophobicContact CB-CD2 4.27Å; L154-A156 PolarHBondContact O-N 3.02Å; L154-G231 CarbonylContact O-C 3.55Å; L154-G231 WeakPolarHBondContact O-CA 3.26Å; L154-I232 HydrophobicContact CB-CB 4.16Å; L154-I232 PolarHBondContact N-O 2.86Å; L154-I232 PolarHBondContact O-N 3.38Å; L154-E234 HydrophobicContact CD1-CB 4.28Å; L154-E234 HydrophobicContact CD1-CG 4.49Å; L154-E234 HydrophobicContact CG-CB 4.41Å
155E92.2Very high92.8Very high152 Ų15257.6 Ų57.671%0.7127%0.269SS*.EExtended strand (participates in β ladder)trans49.434.5179.5-57.3-169.7161.500113.8H157 I232E155-H157 PolarHBondContact O-N 3.48Å; E155-H157 PolarHBondContact O-ND1 3.35Å; E155-H157 VanDerWaalsContact O-ND1 3.13Å; E155-I232 HydrophobicContact CB-CD1 4.39Å; E155-I232 HydrophobicContact CG-CD1 4.38Å; E155-I232 VanDerWaalsContact OE2-CD1 3.28Å; E155-I232 WeakPolarHBondContact OE2-CD1 3.5Å
156A94.5Very high92.7Very high1 Ų159 Ų591%0.00828%0.277CS..EExtended strand (participates in β ladder)trans-60.7130-179.800000109.6L153 L154 R191 L192 E230L153-A156 HydrophobicContact CB-CB 4.37Å; L153-A156 HydrophobicContact CD2-CB 3.75Å; L153-A156 HydrophobicContact CG-CB 4.01Å; L154-A156 PolarHBondContact O-N 3.02Å; A156-R191 CarbonylContact O-C 3.54Å; A156-R191 WeakPolarHBondContact O-CA 3.36Å; A156-L192 HydrophobicContact CB-CB 4.15Å; A156-L192 PolarHBondContact O-N 3.3Å; A156-E230 CarbonylContact C-O 3.51Å; A156-E230 VanDerWaalsContact CA-O 3.24Å; A156-E230 WeakPolarHBondContact CA-O 3.28Å
157H95.7Very high92.8Very high40 Ų4063 Ų6319%0.18530%0.301CS..EExtended strand (participates in β ladder)trans-144.5150.1175.163.2-79.9000111.5E155 D190 E230E155-H157 PolarHBondContact O-N 3.48Å; E155-H157 PolarHBondContact O-ND1 3.35Å; E155-H157 VanDerWaalsContact O-ND1 3.13Å; H157-D190 CarbonylContact C-O 3.48Å; H157-D190 WeakPolarHBondContact CA-O 3.39Å; H157-E230 WeakPolarHBondContact CE1-CB 3.39Å; H157-E230 IonicContact CE1-OE2 2.8Å; H157-E230 PolarHBondContact N-O 3.3Å; H157-E230 IonicContact NE2-OE2 3.67Å; H157-E230 PolarHBondContact NE2-OE2 2.94Å; H157-E230 PolarHBondContact O-N 3.4Å
158V96.5Very high92.9Very high1 Ų164.2 Ų64.21%0.00631%0.309CS..EExtended strand (participates in β ladder)trans-118.4138.9-177.3166.90000111.2F143 V183 D190 L192 I200 I228 L229F143-V158 HydrophobicContact CE2-CG1 4.24Å; F143-V158 HydrophobicContact CZ-CG1 3.63Å; V158-V183 VanDerWaalsContact O-CG2 3.27Å; V158-V183 WeakPolarHBondContact O-CG2 3.33Å; V158-D190 PolarHBondContact N-O 2.89Å; V158-L192 HydrophobicContact CB-CD1 4.29Å; V158-L192 HydrophobicContact CG2-CD1 3.43Å; V158-L192 VanDerWaalsContact CG2-CD1 3.43Å; V158-L192 HydrophobicContact CG2-CG 4.3Å; V158-I200 HydrophobicContact CG1-CG1 4.36Å; V158-I200 HydrophobicContact CG1-CG2 4.14Å; V158-I200 HydrophobicContact CG2-CD1 4.42Å; V158-I228 CarbonylContact C-O 3.5Å; V158-I228 VanDerWaalsContact CA-O 3.28Å; V158-I228 WeakPolarHBondContact CA-O 2.95Å; V158-L229 HydrophobicContact CG2-CB 4.17Å; V158-L229 HydrophobicContact CG2-CD1 3.48Å; V158-L229 VanDerWaalsContact CG2-CD1 3.48Å; V158-L229 HydrophobicContact CG2-CG 4.39Å
159R96.4Very high93.3Very high118 Ų11867.3 Ų67.345%0.44533%0.328SS..EExtended strand (participates in β ladder)trans-124.6152.4171.1-64.3-179.4176169.80.6109.9I228R159-I228 HydrophobicContact CB-CB 4.41Å; R159-I228 PolarHBondContact N-O 2.92Å; R159-I228 PolarHBondContact O-N 3.38Å
160L97.3Very high93.8Very high0 Ų069.9 Ų69.90%034%0.344CS..EExtended strand (participates in β ladder)trans-134.4128179.7-166.271.5000108.4F141 F143 M181 V183 H202 I225 V226 A227F141-L160 HydrophobicContact CD1-CD2 3.79Å; F141-L160 HydrophobicContact CE1-CD1 4.28Å; F141-L160 HydrophobicContact CE1-CD2 3.79Å; F143-L160 HydrophobicContact CD1-CD1 4.42Å; F143-L160 HydrophobicContact CE1-CD1 3.72Å; F143-L160 HydrophobicContact CE1-CD2 4.2Å; F143-L160 HydrophobicContact CE1-CG 4.49Å; F143-L160 HydrophobicContact CZ-CD1 4.09Å; L160-M181 HydrophobicContact CB-CB 3.96Å; L160-M181 HydrophobicContact CD2-CB 3.76Å; L160-M181 HydrophobicContact CD2-CE 3.68Å; L160-M181 HydrophobicContact CD2-CG 4.37Å; L160-M181 HydrophobicContact CD2-SD 3.72Å; L160-M181 HydrophobicContact CG-CB 3.96Å; L160-M181 HydrophobicContact CG-CG 4.49Å; L160-M181 HydrophobicContact CG-SD 3.95Å; L160-M181 PolarHBondContact O-N 3.29Å; L160-V183 HydrophobicContact CB-CG1 3.84Å; L160-V183 HydrophobicContact CD2-CG1 4.19Å; L160-H202 HydrophobicContact CD2-CB 4.14Å; L160-I225 HydrophobicContact CD1-CG2 3.42Å; L160-I225 VanDerWaalsContact CD1-CG2 3.42Å; L160-I225 HydrophobicContact CD2-CG2 4.04Å; L160-I225 HydrophobicContact CG-CG2 3.65Å; L160-V226 WeakPolarHBondContact CA-O 3.47Å; L160-A227 HydrophobicContact CD1-CB 3.7Å
161Q97.3Very high94.5Very high56 Ų5664.4 Ų64.426%0.26233%0.327SS..EExtended strand (participates in β ladder)trans-125.5133.2177.7-69.6-169.8-33.300109.8H179 I225 V226Q161-H179 WeakPolarHBondContact CA-O 3.19Å; Q161-I225 CarbonylContact O-C 3.51Å; Q161-I225 WeakPolarHBondContact O-CA 3.22Å; Q161-V226 PolarHBondContact N-O 2.71Å; Q161-V226 PolarHBondContact O-N 3.3Å
162M97.6Very high94.9Very high0 Ų067.3 Ų67.30%034%0.336CS..EExtended strand (participates in β ladder)trans-97123.1169.1179.9172.3156.200108.8R164 H179 M181 P209 L210 Y213 L223 I225M162-R164 HydrophobicContact CE-CB 4.22Å; M162-R164 HydrophobicContact CE-CG 4.03Å; M162-H179 PolarHBondContact N-O 3.06Å; M162-H179 PolarHBondContact O-N 3.06Å; M162-M181 HydrophobicContact CB-CG 4.11Å; M162-M181 HydrophobicContact CB-SD 3.77Å; M162-P209 HydrophobicContact CB-CG 3.98Å; M162-P209 HydrophobicContact CE-CB 4.42Å; M162-P209 HydrophobicContact CG-CG 4.44Å; M162-P209 HydrophobicContact SD-CB 3.6Å; M162-P209 HydrophobicContact SD-CG 3.67Å; M162-L210 HydrophobicContact SD-CD2 3.92Å; M162-L210 HydrophobicContact SD-CG 4.25Å; M162-Y213 HydrophobicContact CE-CE2 4.05Å; M162-L223 HydrophobicContact CE-CB 3.74Å; M162-L223 HydrophobicContact CE-CD2 3.51Å; M162-L223 HydrophobicContact CE-CG 4.14Å; M162-L223 HydrophobicContact CG-CB 4.48Å; M162-L223 HydrophobicContact SD-CD2 4.4Å; M162-I225 HydrophobicContact CB-CG1 4.49Å; M162-I225 HydrophobicContact CG-CG1 4.41Å
163I97.5Very high95.3Very high33 Ų3367.1 Ų67.117%0.16934%0.34CS..EExtended strand (participates in β ladder)trans-104.5124.3176-52.2-178.4000107.7L176 D177 Q178 L223 E224 V226I163-L176 HydrophobicContact CG2-CB 4.02Å; I163-L176 HydrophobicContact CG2-CD2 3.89Å; I163-D177 WeakPolarHBondContact CA-O 3.33Å; I163-Q178 HydrophobicContact CG1-CG 4.35Å; I163-L223 CarbonylContact O-C 3.6Å; I163-L223 WeakPolarHBondContact O-CA 3.22Å; I163-E224 PolarHBondContact N-O 3.32Å; I163-E224 PolarHBondContact O-N 2.77Å; I163-V226 HydrophobicContact CD1-CG2 3.68Å; I163-V226 HydrophobicContact CG1-CG2 4.29Å
164R96.1Very high95.5Very high67 Ų6769 Ų6925%0.25335%0.35SS..EExtended strand (participates in β ladder)trans-149.1165.9173.463.2161.5175.2-160.54.4111.1M162 D177 H179 Y213 L223M162-R164 HydrophobicContact CE-CB 4.22Å; M162-R164 HydrophobicContact CE-CG 4.03Å; R164-D177 PolarHBondContact N-O 3.26Å; R164-D177 WeakPolarHBondContact O-CB 3.4Å; R164-D177 PolarHBondContact O-N 2.91Å; R164-H179 PolarHBondContact NE-NE2 2.88Å; R164-Y213 PolarHBondContact NH1-OH 3.45Å; R164-L223 HydrophobicContact CB-CB 4.11Å
165K95.6Very high95.7Very high128 Ų12869.7 Ų69.756%0.55736%0.359SS*.EExtended strand (participates in β ladder)trans-76.1125166.6-175.6178-179.6-179.20109.4V173 L174K165-V173 HydrophobicContact CD-CG1 4.43Å; K165-V173 HydrophobicContact CG-CG1 4.36Å; K165-L174 WeakPolarHBondContact CA-O 3.39Å
166T93.9Very high95.8Very high28 Ų2868.6 Ų68.617%0.17236%0.357CS..EExtended strand (participates in β ladder)trans-118.8145.5175.5-55.90000109.1L174 D177 H179T166-L174 PolarHBondContact N-O 3.47Å; T166-L174 PolarHBondContact O-N 3.44Å; T166-D177 WeakPolarHBondContact CB-OD2 3.47Å; T166-D177 WeakPolarHBondContact OG1-CB 3.2Å; T166-D177 PolarHBondContact OG1-OD2 2.85Å; T166-H179 PolarHBondContact OG1-NE2 3.25Å
167V95.1Very high95.9Very high85 Ų8570.2 Ų70.252%0.51537%0.366SS..EExtended strand (participates in β ladder)trans-116.9125.3169.5-176.20000106.7E172 V173V167-E172 CarbonylContact C-O 3.53Å; V167-E172 VanDerWaalsContact CA-O 3.29Å; V167-E172 WeakPolarHBondContact CA-O 3.23Å; V167-V173 HydrophobicContact CG1-CG2 4.49Å; V167-V173 HydrophobicContact CG2-CG2 4.25Å
168T95.2Very high95.9Very high34 Ų3473.7 Ų73.721%0.20938%0.382CS..  trans-73.9166179.176.10000110.9E170 G171 E172 L174T168-E170 WeakPolarHBondContact CB-OE2 3.48Å; T168-E170 PolarHBondContact O-N 3.26Å; T168-E170 PolarHBondContact OG1-N 3.15Å; T168-E170 PolarHBondContact OG1-OE2 2.91Å; T168-G171 WeakPolarHBondContact O-CA 3.44Å; T168-G171 PolarHBondContact O-N 3.35Å; T168-E172 HydrophobicContact CG2-CB 4.02Å; T168-E172 PolarHBondContact N-O 2.95Å; T168-E172 WeakPolarHBondContact OG1-CB 3.28Å; T168-E172 PolarHBondContact OG1-N 3.32Å; T168-E172 VanDerWaalsContact OG1-N 3.11Å; T168-L174 HydrophobicContact CG2-CD1 4.11Å; T168-L174 HydrophobicContact CG2-CG 4.37Å
169D94.8Very high95.9Very high167 Ų16776 Ų7689%0.89339%0.393SS*.THydrogen-bonded Turntrans-63.3-28.3178.7-67.6-26.6000112G171D169-G171 PolarHBondContact O-N 2.92Å
170E95.9Very high95.8Very high166 Ų16676.4 Ų76.478%0.77640%0.4SS*.THydrogen-bonded Turntrans-78.4-5.4174.3-54.576.3-166.100113.3T168T168-E170 WeakPolarHBondContact CB-OE2 3.48Å; T168-E170 PolarHBondContact O-N 3.26Å; T168-E170 PolarHBondContact OG1-N 3.15Å; T168-E170 PolarHBondContact OG1-OE2 2.91Å
171G94.9Very high95.8Very high48 Ų4876.5 Ų76.550%0.49540%0.4SS..  trans89.49.4179.600000115.1T168 D169T168-G171 WeakPolarHBondContact O-CA 3.44Å; T168-G171 PolarHBondContact O-N 3.35Å; D169-G171 PolarHBondContact O-N 2.92Å
172E96.5Very high95.7Very high123 Ų12376.8 Ų76.858%0.57540%0.403SS*.  trans-69.6133.6173.2-175.3-179.9-17200110.1V167 T168 L174V167-E172 CarbonylContact C-O 3.53Å; V167-E172 VanDerWaalsContact CA-O 3.29Å; V167-E172 WeakPolarHBondContact CA-O 3.23Å; T168-E172 HydrophobicContact CG2-CB 4.02Å; T168-E172 PolarHBondContact N-O 2.95Å; T168-E172 WeakPolarHBondContact OG1-CB 3.28Å; T168-E172 PolarHBondContact OG1-N 3.32Å; T168-E172 VanDerWaalsContact OG1-N 3.11Å; E172-L174 HydrophobicContact CG-CD2 4.25Å
173V96.1Very high95.6Very high75 Ų7577.4 Ų77.446%0.45541%0.408SS..EExtended strand (participates in β ladder)trans-100.7112.6-179.7-1780000109.9K165 V167 P175K165-V173 HydrophobicContact CD-CG1 4.43Å; K165-V173 HydrophobicContact CG-CG1 4.36Å; V167-V173 HydrophobicContact CG1-CG2 4.49Å; V167-V173 HydrophobicContact CG2-CG2 4.25Å; V173-P175 WeakPolarHBondContact O-CD 3.18Å
174L96.1Very high95.2Very high49 Ų4976.5 Ų76.526%0.25741%0.406SS..EExtended strand (participates in β ladder)trans-96.6105.4175.5-57.4177.6000109.3K165 T166 T168 E172 D177K165-L174 WeakPolarHBondContact CA-O 3.39Å; T166-L174 PolarHBondContact N-O 3.47Å; T166-L174 PolarHBondContact O-N 3.44Å; T168-L174 HydrophobicContact CG2-CD1 4.11Å; T168-L174 HydrophobicContact CG2-CG 4.37Å; E172-L174 HydrophobicContact CG-CD2 4.25Å; L174-D177 HydrophobicContact CB-CB 3.88Å; L174-D177 HydrophobicContact CD1-CB 4.41Å
175P94.4Very high94.8Very high92 Ų9279.4 Ų79.460%0.59742%0.421SS*.EExtended strand (participates in β ladder)trans-71.8-34.1-17025.8-34000114.6V173V173-P175 WeakPolarHBondContact O-CD 3.18Å
176L94.6Very high94.4Very high129 Ų12979.6 Ų79.668%0.67543%0.428SS*.EExtended strand (participates in β ladder)trans-131.352.6-177.8-64.4174.6000109.6I163 Q178I163-L176 HydrophobicContact CG2-CB 4.02Å; I163-L176 HydrophobicContact CG2-CD2 3.89Å; L176-Q178 PolarHBondContact O-N 2.9Å
177D96.4Very high94.2Very high36 Ų3688.2 Ų88.219%0.19346%0.458CS..EExtended strand (participates in β ladder)trans-64.9132179.4-168.818.2000110.1I163 R164 T166 L174 H179I163-D177 WeakPolarHBondContact CA-O 3.33Å; R164-D177 PolarHBondContact N-O 3.26Å; R164-D177 WeakPolarHBondContact O-CB 3.4Å; R164-D177 PolarHBondContact O-N 2.91Å; T166-D177 WeakPolarHBondContact CB-OD2 3.47Å; T166-D177 WeakPolarHBondContact OG1-CB 3.2Å; T166-D177 PolarHBondContact OG1-OD2 2.85Å; L174-D177 HydrophobicContact CB-CB 3.88Å; L174-D177 HydrophobicContact CD1-CB 4.41Å; D177-H179 IonicContact OD2-CE1 2.7Å; D177-H179 PolarHBondContact OD2-CE1 2.95Å; D177-H179 IonicContact OD2-ND1 3.94Å; D177-H179 IonicContact OD2-NE2 3.16Å; D177-H179 PolarHBondContact OD2-NE2 2.82Å
178Q96.5Very high93.8Very high113 Ų11384.9 Ų84.953%0.52844%0.44SS..EExtended strand (participates in β ladder)trans-108.2118.8-172.9-60.3-179.220.700109.7I163 L176I163-Q178 HydrophobicContact CG1-CG 4.35Å; L176-Q178 PolarHBondContact O-N 2.9Å
179H95.6Very high93.5Very high49 Ų4988.4 Ų88.423%0.22746%0.457CS..EExtended strand (participates in β ladder)trans-114120.3175.4-59.1-55.6000110.2Q161 M162 R164 T166 D177 P209Q161-H179 WeakPolarHBondContact CA-O 3.19Å; M162-H179 PolarHBondContact N-O 3.06Å; M162-H179 PolarHBondContact O-N 3.06Å; R164-H179 PolarHBondContact NE-NE2 2.88Å; T166-H179 PolarHBondContact OG1-NE2 3.25Å; D177-H179 IonicContact OD2-CE1 2.7Å; D177-H179 PolarHBondContact OD2-CE1 2.95Å; D177-H179 IonicContact OD2-ND1 3.94Å; D177-H179 IonicContact OD2-NE2 3.16Å; D177-H179 PolarHBondContact OD2-NE2 2.82Å; H179-P209 HydrophobicContact CB-CB 4.1Å; H179-P209 HydrophobicContact CB-CG 4.13Å
180E95.5Very high93.3Very high127 Ų12781.3 Ų81.359%0.59342%0.419SS*.EExtended strand (participates in β ladder)trans-67.3137.1175-173172.5-170.500111.3
181M96.1Very high93.3Very high2 Ų281.8 Ų81.81%0.0141%0.414CS..  trans-110.5115.1177.3-66.3177.867.800109.8F141 L160 M162 V183 H202 P209 L210 I225F141-M181 HydrophobicContact CD1-CE 4.47Å; L160-M181 HydrophobicContact CB-CB 3.96Å; L160-M181 HydrophobicContact CD2-CB 3.76Å; L160-M181 HydrophobicContact CD2-CE 3.68Å; L160-M181 HydrophobicContact CD2-CG 4.37Å; L160-M181 HydrophobicContact CD2-SD 3.72Å; L160-M181 HydrophobicContact CG-CB 3.96Å; L160-M181 HydrophobicContact CG-CG 4.49Å; L160-M181 HydrophobicContact CG-SD 3.95Å; L160-M181 PolarHBondContact O-N 3.29Å; M162-M181 HydrophobicContact CB-CG 4.11Å; M162-M181 HydrophobicContact CB-SD 3.77Å; M181-V183 PolarHBondContact O-N 3.35Å; M181-V183 VanDerWaalsContact O-N 3.13Å; M181-H202 WeakPolarHBondContact CE-CD2 3.41Å; M181-P209 HydrophobicContact CG-CG 3.71Å; M181-P209 HydrophobicContact SD-CG 4.44Å; M181-L210 HydrophobicContact CE-CD1 3.52Å; M181-L210 HydrophobicContact CE-CG 4.04Å; M181-I225 HydrophobicContact CE-CD1 4.24Å; M181-I225 HydrophobicContact SD-CD1 4.14Å; M181-I225 HydrophobicContact SD-CG1 4.22Å; M181-I225 HydrophobicContact SD-CG2 3.82Å
182N96Very high93.2Very high61 Ų6180.7 Ų80.733%0.32640%0.397SS..  trans-64.9112.5-175.4-170.9-5.9000112.5G184 F185 D186 H202N182-G184 WeakPolarHBondContact OD1-CA 3.23Å; N182-G184 PolarHBondContact OD1-N 2.74Å; N182-F185 PolarHBondContact OD1-N 2.83Å; N182-D186 PolarHBondContact ND2-OD2 3.41Å; N182-H202 PolarHBondContact N-ND1 3.08Å; N182-H202 PolarHBondContact O-ND1 3.15Å
183V95.3Very high92.9Very high14 Ų1481.5 Ų81.59%0.08540%0.398CS..SBendtrans-96.413.5174.2-68.20000113.2V158 L160 M181 D190 I200 H202V158-V183 VanDerWaalsContact O-CG2 3.27Å; V158-V183 WeakPolarHBondContact O-CG2 3.33Å; L160-V183 HydrophobicContact CB-CG1 3.84Å; L160-V183 HydrophobicContact CD2-CG1 4.19Å; M181-V183 PolarHBondContact O-N 3.35Å; M181-V183 VanDerWaalsContact O-N 3.13Å; V183-D190 HydrophobicContact CG2-CB 4.05Å; V183-I200 HydrophobicContact CB-CG2 3.93Å; V183-I200 HydrophobicContact CG1-CG2 3.75Å; V183-H202 HydrophobicContact CG1-CB 4.29Å
184G89.5Confident92.7Very high14 Ų1478.4 Ų78.414%0.14438%0.379CS..SBendtrans10829.4178.400000114.4N182 D186 R187 G188 L189N182-G184 WeakPolarHBondContact OD1-CA 3.23Å; N182-G184 PolarHBondContact OD1-N 2.74Å; G184-D186 VanDerWaalsContact C-N 3.31Å; G184-D186 PolarHBondContact O-N 3.26Å; G184-R187 CarbonylContact O-C 3.54Å; G184-R187 PolarHBondContact O-N 3.45Å; G184-G188 PolarHBondContact O-N 3.09Å; G184-L189 PolarHBondContact O-N 3.13Å
185F87.6Confident92.4Very high127 Ų12780 Ų8056%0.55739%0.387SS*.G310 helixtrans-52.1-47.3177.2-179.9-100.8000112N182 R187 G188N182-F185 PolarHBondContact OD1-N 2.83Å; F185-R187 PolarHBondContact O-N 3.11Å; F185-G188 PolarHBondContact O-N 3.15Å
186D87.4Confident92.2Very high133 Ų13381.4 Ų81.471%0.71138%0.381SS*.G310 helixtrans-60.7-21.9-179.4-52.9-50.7000113.8N182 G184N182-D186 PolarHBondContact ND2-OD2 3.41Å; G184-D186 VanDerWaalsContact C-N 3.31Å; G184-D186 PolarHBondContact O-N 3.26Å
187R88.2Confident92.1Very high209 Ų20975.7 Ų75.779%0.78935%0.352SS*.G310 helixtrans-107.3-2.1-179.6-62.8-177.8-177.4178.60.7112.5G184 F185 L189G184-R187 CarbonylContact O-C 3.54Å; G184-R187 PolarHBondContact O-N 3.45Å; F185-R187 PolarHBondContact O-N 3.11Å; R187-L189 HydrophobicContact CB-CD1 4.06Å; R187-L189 HydrophobicContact CB-CG 3.92Å; R187-L189 PolarHBondContact O-N 3.31Å
188G87Confident92Very high15 Ų1575.7 Ų75.716%0.15535%0.353CS..THydrogen-bonded Turntrans65.722.7-172.700000114.3G184 F185 D190G184-G188 PolarHBondContact O-N 3.09Å; F185-G188 PolarHBondContact O-N 3.15Å; G188-D190 VanDerWaalsContact C-N 3.28Å; G188-D190 VanDerWaalsContact CA-OD1 3.23Å; G188-D190 WeakPolarHBondContact CA-OD1 3.35Å
189L89Confident92Very high108 Ų10872.5 Ų72.557%0.56534%0.341SS*.  trans-80.3-13.7176.7-65.6171.7000112.5G184 R187G184-L189 PolarHBondContact O-N 3.13Å; R187-L189 HydrophobicContact CB-CD1 4.06Å; R187-L189 HydrophobicContact CB-CG 3.92Å; R187-L189 PolarHBondContact O-N 3.31Å
190D92Very high92.1Very high17 Ų1770.6 Ų70.69%0.09133%0.332CS..SBendtrans-66-29.2169.763.8-45.3000111.6H157 V158 V183 G188 L192H157-D190 CarbonylContact C-O 3.48Å; H157-D190 WeakPolarHBondContact CA-O 3.39Å; V158-D190 PolarHBondContact N-O 2.89Å; V183-D190 HydrophobicContact CG2-CB 4.05Å; G188-D190 VanDerWaalsContact C-N 3.28Å; G188-D190 VanDerWaalsContact CA-OD1 3.23Å; G188-D190 WeakPolarHBondContact CA-OD1 3.35Å; D190-L192 PolarHBondContact O-N 3.44Å
191R94.1Very high92.1Very high176 Ų17666.2 Ų66.266%0.66432%0.315SS*.BIsolated β-bridgetrans-78.1115.9172.4-60.5175.9-63.4-165.90.4109.9A156A156-R191 CarbonylContact O-C 3.54Å; A156-R191 WeakPolarHBondContact O-CA 3.36Å
192L93.1Very high92.2Very high26 Ų2666.1 Ų66.114%0.13632%0.315CS..  trans-101.8143.3-171.7-55.4-175.8000111.8V145 A156 V158 D190 I200 L229V145-L192 HydrophobicContact CG2-CD1 3.88Å; A156-L192 HydrophobicContact CB-CB 4.15Å; A156-L192 PolarHBondContact O-N 3.3Å; V158-L192 HydrophobicContact CB-CD1 4.29Å; V158-L192 HydrophobicContact CG2-CD1 3.43Å; V158-L192 VanDerWaalsContact CG2-CD1 3.43Å; V158-L192 HydrophobicContact CG2-CG 4.3Å; D190-L192 PolarHBondContact O-N 3.44Å; L192-I200 HydrophobicContact CD1-CD1 3.71Å; L192-I200 HydrophobicContact CD2-CD1 3.66Å; L192-I200 HydrophobicContact CG-CD1 4.33Å; L192-L229 HydrophobicContact CD1-CD1 4.18Å
193F91.1Very high92.2Very high139 Ų13965.5 Ų65.561%0.6131%0.313SS*.  trans-101.589.6160.1-173.5-117.3000108.4I195 W196F193-I195 HydrophobicContact CD1-CD1 4.24Å; F193-I195 HydrophobicContact CD1-CG1 4.13Å; F193-I195 HydrophobicContact CE1-CB 4.42Å; F193-I195 HydrophobicContact CE1-CD1 3.29Å; F193-I195 HydrophobicContact CE1-CG1 3.66Å; F193-I195 HydrophobicContact CE2-CD1 3.91Å; F193-I195 HydrophobicContact CE2-CG1 4.14Å; F193-I195 HydrophobicContact CZ-CD1 3.1Å; F193-I195 HydrophobicContact CZ-CG1 3.69Å; F193-I195 PolarHBondContact O-N 3.44Å; F193-W196 HydrophobicContact CD1-CH2 4.28Å; F193-W196 HydrophobicContact CE1-CH2 4.4Å; F193-W196 HydrophobicContact CE1-CZ3 4.4Å
194L91.2Very high92.2Very high10 Ų1065.2 Ų65.25%0.05231%0.311CS..THydrogen-bonded Turntrans-91.562.3-167-16567.7000112.3L124 V145 D147 L153 V198 L229L124-L194 HydrophobicContact CD2-CD2 4.31Å; V145-L194 HydrophobicContact CG2-CD1 3.84Å; D147-L194 HydrophobicContact CB-CD2 4.16Å; D147-L194 HydrophobicContact CB-CG 4.42Å; L153-L194 HydrophobicContact CD2-CD2 4.37Å; L194-V198 HydrophobicContact CD1-CB 4.44Å; L194-V198 HydrophobicContact CD1-CG2 4.14Å; L194-L229 HydrophobicContact CD2-CD2 3.91Å
195I89.3Confident92.4Very high82 Ų8266.7 Ų66.742%0.42132%0.315SS..THydrogen-bonded Turntrans-86.7-38.9171.4-64.7-165.9000111.4F193F193-I195 HydrophobicContact CD1-CD1 4.24Å; F193-I195 HydrophobicContact CD1-CG1 4.13Å; F193-I195 HydrophobicContact CE1-CB 4.42Å; F193-I195 HydrophobicContact CE1-CD1 3.29Å; F193-I195 HydrophobicContact CE1-CG1 3.66Å; F193-I195 HydrophobicContact CE2-CD1 3.91Å; F193-I195 HydrophobicContact CE2-CG1 4.14Å; F193-I195 HydrophobicContact CZ-CD1 3.1Å; F193-I195 HydrophobicContact CZ-CG1 3.69Å; F193-I195 PolarHBondContact O-N 3.44Å
196W90.1Very high92.8Very high122 Ų12265.8 Ų65.846%0.46232%0.316SS..SBendtrans-120.6161.5174.953.584.2000109.5F193 V198 I261F193-W196 HydrophobicContact CD1-CH2 4.28Å; F193-W196 HydrophobicContact CE1-CH2 4.4Å; F193-W196 HydrophobicContact CE1-CZ3 4.4Å; W196-V198 WeakPolarHBondContact O-CG2 3.24Å; W196-V198 PolarHBondContact O-N 2.95Å; W196-I261 HydrophobicContact CB-CD1 4.02Å; W196-I261 HydrophobicContact CG-CD1 3.94Å
197P94Very high93.1Very high10 Ų1068 Ų687%0.06532%0.32CS..  trans-52.2124.4173.9-34.341000113.6R144 V145 L260 V272 W274 F277R144-P197 HydrophobicContact CG-CB 4.25Å; V145-P197 CarbonylContact O-C 3.5Å; V145-P197 VanDerWaalsContact O-CA 3.23Å; V145-P197 WeakPolarHBondContact O-CA 3.34Å; P197-L260 HydrophobicContact CB-CD1 3.96Å; P197-L260 HydrophobicContact CB-CD2 3.85Å; P197-L260 HydrophobicContact CG-CD1 3.73Å; P197-L260 HydrophobicContact CG-CD2 4.36Å; P197-V272 HydrophobicContact CG-CG1 3.87Å; P197-W274 HydrophobicContact CG-CE3 4.35Å; P197-W274 HydrophobicContact CG-CH2 3.68Å; P197-W274 HydrophobicContact CG-CZ2 4.39Å; P197-W274 HydrophobicContact CG-CZ3 3.63Å; P197-F277 HydrophobicContact CB-CD2 3.9Å; P197-F277 HydrophobicContact CB-CE2 3.77Å; P197-F277 HydrophobicContact CG-CD2 3.93Å; P197-F277 HydrophobicContact CG-CE2 4.03Å
198V94.6Very high93.5Very high36 Ų3658.4 Ų58.422%0.21829%0.285CS..EExtended strand (participates in β ladder)trans-108.7137.7179.3-177.30000109.6R144 V145 L194 W196 I200R144-V198 WeakPolarHBondContact CA-O 3.24Å; V145-V198 HydrophobicContact CG2-CB 4.28Å; V145-V198 PolarHBondContact N-O 3.47Å; V145-V198 PolarHBondContact O-N 3.37Å; L194-V198 HydrophobicContact CD1-CB 4.44Å; L194-V198 HydrophobicContact CD1-CG2 4.14Å; W196-V198 WeakPolarHBondContact O-CG2 3.24Å; W196-V198 PolarHBondContact O-N 2.95Å; V198-I200 HydrophobicContact CG1-CD1 4.13Å
199T95.9Very high93.9Very high45 Ų4558.7 Ų58.728%0.27628%0.284SS..EExtended strand (participates in β ladder)trans-92.7108.4170.8-53.80000109.3L142 F143 F257L142-T199 HydrophobicContact CB-CG2 4.08Å; L142-T199 HydrophobicContact CD2-CG2 4.36Å; F143-T199 CarbonylContact O-C 3.51Å; F143-T199 WeakPolarHBondContact O-CA 3.38Å; T199-F257 HydrophobicContact CG2-CD2 3.78Å; T199-F257 HydrophobicContact CG2-CE2 4.1Å
200I96.4Very high94.2Very high10 Ų1053.8 Ų53.85%0.05126%0.258CS..EExtended strand (participates in β ladder)trans-71.6140.2175.4-50.4-56000108.9L142 F143 V145 V158 V183 L192 V198L142-I200 VanDerWaalsContact CA-O 3.3Å; L142-I200 WeakPolarHBondContact CA-O 3.5Å; F143-I200 HydrophobicContact CD1-CB 4.01Å; F143-I200 HydrophobicContact CD1-CG2 4.34Å; F143-I200 HydrophobicContact CD2-CB 4.37Å; F143-I200 HydrophobicContact CD2-CG1 4.34Å; F143-I200 HydrophobicContact CE1-CB 3.65Å; F143-I200 HydrophobicContact CE1-CG1 4.35Å; F143-I200 HydrophobicContact CE1-CG2 3.56Å; F143-I200 HydrophobicContact CE2-CB 4.04Å; F143-I200 HydrophobicContact CE2-CG1 3.85Å; F143-I200 HydrophobicContact CE2-CG2 4.48Å; F143-I200 HydrophobicContact CG-CB 4.37Å; F143-I200 HydrophobicContact CZ-CB 3.68Å; F143-I200 HydrophobicContact CZ-CG1 3.88Å; F143-I200 HydrophobicContact CZ-CG2 3.67Å; F143-I200 PolarHBondContact N-O 3.43Å; F143-I200 PolarHBondContact O-N 3.27Å; V145-I200 HydrophobicContact CG1-CG1 4.15Å; V145-I200 HydrophobicContact CG2-CD1 3.82Å; V145-I200 HydrophobicContact CG2-CG1 3.84Å; V158-I200 HydrophobicContact CG1-CG1 4.36Å; V158-I200 HydrophobicContact CG1-CG2 4.14Å; V158-I200 HydrophobicContact CG2-CD1 4.42Å; V183-I200 HydrophobicContact CB-CG2 3.93Å; V183-I200 HydrophobicContact CG1-CG2 3.75Å; L192-I200 HydrophobicContact CD1-CD1 3.71Å; L192-I200 HydrophobicContact CD2-CD1 3.66Å; L192-I200 HydrophobicContact CG-CD1 4.33Å; V198-I200 HydrophobicContact CG1-CD1 4.13Å
201C96.2Very high94.4Very high34 Ų3454.8 Ų54.823%0.2326%0.261CS..EExtended strand (participates in β ladder)trans-132.6106.9-172.8178.70000110.6L142L142-C201 HydrophobicContact CD2-CB 3.69Å
202H97.3Very high94.5Very high1 Ų152.1 Ų52.11%0.00526%0.256CS..EExtended strand (participates in β ladder)trans-89.1123.3165.917168.4000109.1C140 F141 L160 M181 N182 V183 S208C140-H202 CarbonylContact C-O 3.58Å; C140-H202 VanDerWaalsContact CA-O 3.23Å; C140-H202 WeakPolarHBondContact CA-O 3.31Å; F141-H202 HydrophobicContact CB-CB 4.2Å; F141-H202 HydrophobicContact CD1-CB 4.41Å; F141-H202 PolarHBondContact N-O 3.19Å; F141-H202 PolarHBondContact O-N 3Å; L160-H202 HydrophobicContact CD2-CB 4.14Å; M181-H202 WeakPolarHBondContact CE-CD2 3.41Å; N182-H202 PolarHBondContact N-ND1 3.08Å; N182-H202 PolarHBondContact O-ND1 3.15Å; V183-H202 HydrophobicContact CG1-CB 4.29Å; H202-S208 WeakPolarHBondContact NE2-CB 3.42Å; H202-S208 PolarHBondContact NE2-OG 3.07Å
203V96.4Very high94.6Very high48 Ų4852.9 Ų52.929%0.29126%0.257SS..EExtended strand (participates in β ladder)trans-82.3124.7174.9179.80000108.1K138 D205K138-V203 HydrophobicContact CB-CG1 4.09Å; K138-V203 HydrophobicContact CD-CG1 3.56Å; K138-V203 HydrophobicContact CG-CG1 4.48Å; V203-D205 VanDerWaalsContact C-N 3.34Å; V203-D205 HydrophobicContact CG1-CB 4.49Å; V203-D205 PolarHBondContact O-N 2.89Å
204I96.9Very high94.8Very high8 Ų847.2 Ų47.24%0.04124%0.235CC..  trans-84.284.9177.6-53.7170.6000107.4I132 L139 F141 L210 A290I132-I204 HydrophobicContact CD1-CD1 4.42Å; I132-I204 HydrophobicContact CG2-CD1 4.23Å; L139-I204 HydrophobicContact CB-CB 4.38Å; L139-I204 HydrophobicContact CB-CD1 4.43Å; L139-I204 HydrophobicContact CD2-CD1 3.73Å; L139-I204 HydrophobicContact CG-CD1 4.03Å; L139-I204 WeakPolarHBondContact O-CB 3.18Å; L139-I204 PolarHBondContact O-N 2.97Å; F141-I204 HydrophobicContact CB-CD1 4.33Å; F141-I204 HydrophobicContact CB-CG1 4.46Å; I204-L210 HydrophobicContact CD1-CB 4.36Å; I204-L210 HydrophobicContact CD1-CD1 4.35Å; I204-L210 HydrophobicContact CG1-CB 4.38Å; I204-L210 HydrophobicContact CG2-CB 3.99Å; I204-A290 HydrophobicContact CB-CB 4.18Å; I204-A290 HydrophobicContact CG2-CB 3.53Å; I204-A290 WeakPolarHBondContact O-CB 3.11Å
205D93.6Very high95Very high44 Ų4447.5 Ų47.524%0.23524%0.238CC..  trans-100.6-173.8172.960.216.4000111.5V203 K207 S208 Y211V203-D205 VanDerWaalsContact C-N 3.34Å; V203-D205 HydrophobicContact CG1-CB 4.49Å; V203-D205 PolarHBondContact O-N 2.89Å; D205-K207 PolarHBondContact O-N 3.39Å; D205-K207 PolarHBondContact OD1-N 3.36Å; D205-S208 WeakPolarHBondContact O-CB 3.49Å; D205-S208 PolarHBondContact O-N 2.9Å; D205-S208 PolarHBondContact OD1-N 2.93Å; D205-Y211 WeakPolarHBondContact O-CB 3.33Å; D205-Y211 WeakPolarHBondContact O-CD2 3.44Å
206D94.6Very high95.3Very high108 Ų10850.7 Ų50.758%0.57825%0.251SS*.THydrogen-bonded Turntrans-59.5-23.8-17959.9-38.2000114.1Y211D206-Y211 HydrophobicContact CB-CE1 4.25Å; D206-Y211 HydrophobicContact CB-CE2 4.38Å
207K94.2Very high95.5Very high181 Ų18148 Ų4879%0.78725%0.248SC*.THydrogen-bonded Turntrans-88.9-12.4175.9-61.5-175.4-179.4-1760113.1D205D205-K207 PolarHBondContact O-N 3.39Å; D205-K207 PolarHBondContact OD1-N 3.36Å
208S96.1Very high95.6Very high7 Ų747.8 Ų47.85%0.04925%0.246CC..SBendtrans-71.3133.9179.91800000111H202 D205 L210 Y211H202-S208 WeakPolarHBondContact NE2-CB 3.42Å; H202-S208 PolarHBondContact NE2-OG 3.07Å; D205-S208 WeakPolarHBondContact O-CB 3.49Å; D205-S208 PolarHBondContact O-N 2.9Å; D205-S208 PolarHBondContact OD1-N 2.93Å; S208-L210 PolarHBondContact O-N 3.28Å; S208-L210 VanDerWaalsContact O-N 3.09Å; S208-L210 PolarHBondContact OG-N 3.32Å; S208-Y211 WeakPolarHBondContact O-CB 3.43Å; S208-Y211 PolarHBondContact O-N 3.28Å
209P95.5Very high95.6Very high21 Ų2153.6 Ų53.614%0.13627%0.268CS..THydrogen-bonded Turntrans-65.2-14.6172.629.8-36.1000112.2M162 H179 M181 Y213M162-P209 HydrophobicContact CB-CG 3.98Å; M162-P209 HydrophobicContact CE-CB 4.42Å; M162-P209 HydrophobicContact CG-CG 4.44Å; M162-P209 HydrophobicContact SD-CB 3.6Å; M162-P209 HydrophobicContact SD-CG 3.67Å; H179-P209 HydrophobicContact CB-CB 4.1Å; H179-P209 HydrophobicContact CB-CG 4.13Å; M181-P209 HydrophobicContact CG-CG 3.71Å; M181-P209 HydrophobicContact SD-CG 4.44Å; P209-Y213 VanDerWaalsContact O-CE2 3.26Å; P209-Y213 WeakPolarHBondContact O-CE2 3.42Å
210L96.1Very high95.5Very high4 Ų457 Ų572%0.02129%0.29CS..THydrogen-bonded Turntrans-85.3-1.2173.6-68.8179.3000114.2F141 M162 M181 I204 S208 E212 Y213 L218 L223 I225F141-L210 HydrophobicContact CB-CD1 4.36Å; F141-L210 HydrophobicContact CD2-CD1 4.24Å; F141-L210 HydrophobicContact CG-CD1 4.46Å; M162-L210 HydrophobicContact SD-CD2 3.92Å; M162-L210 HydrophobicContact SD-CG 4.25Å; M181-L210 HydrophobicContact CE-CD1 3.52Å; M181-L210 HydrophobicContact CE-CG 4.04Å; I204-L210 HydrophobicContact CD1-CB 4.36Å; I204-L210 HydrophobicContact CD1-CD1 4.35Å; I204-L210 HydrophobicContact CG1-CB 4.38Å; I204-L210 HydrophobicContact CG2-CB 3.99Å; S208-L210 PolarHBondContact O-N 3.28Å; S208-L210 VanDerWaalsContact O-N 3.09Å; S208-L210 PolarHBondContact OG-N 3.32Å; L210-E212 VanDerWaalsContact C-N 3.28Å; L210-E212 PolarHBondContact O-N 3.45Å; L210-E212 VanDerWaalsContact O-N 3.16Å; L210-Y213 HydrophobicContact CD2-CD2 4.11Å; L210-Y213 HydrophobicContact CD2-CG 4.45Å; L210-Y213 PolarHBondContact O-N 2.98Å; L210-Y213 VanDerWaalsContact O-N 3.07Å; L210-L218 HydrophobicContact CD2-CD1 4.2Å; L210-L223 HydrophobicContact CD2-CD2 4.24Å; L210-I225 HydrophobicContact CD1-CD1 3.97Å; L210-I225 HydrophobicContact CD2-CD1 4.44Å
211Y96.4Very high95.4Very high38 Ų3857.4 Ų57.415%0.14929%0.294CS..THydrogen-bonded Turntrans-56.2-38-168.9-172.8-125.3000114.5D205 D206 S208 A290 R291 E294D205-Y211 WeakPolarHBondContact O-CB 3.33Å; D205-Y211 WeakPolarHBondContact O-CD2 3.44Å; D206-Y211 HydrophobicContact CB-CE1 4.25Å; D206-Y211 HydrophobicContact CB-CE2 4.38Å; S208-Y211 WeakPolarHBondContact O-CB 3.43Å; S208-Y211 PolarHBondContact O-N 3.28Å; Y211-A290 HydrophobicContact CD2-CB 3.67Å; Y211-A290 HydrophobicContact CE2-CB 4.07Å; Y211-A290 PolarHBondContact O-N 3.32Å; Y211-R291 HydrophobicContact CD1-CB 3.69Å; Y211-R291 HydrophobicContact CD1-CG 4.18Å; Y211-R291 HydrophobicContact CD2-CB 4.41Å; Y211-R291 HydrophobicContact CE1-CB 3.42Å; Y211-R291 VanDerWaalsContact CE1-CB 3.42Å; Y211-R291 HydrophobicContact CE1-CG 3.6Å; Y211-R291 HydrophobicContact CE2-CB 4.21Å; Y211-R291 HydrophobicContact CG-CB 4.19Å; Y211-R291 PolarHBondContact O-N 3.4Å; Y211-E294 WeakPolarHBondContact CE2-OE2 3.34Å; Y211-E294 PolarHBondContact OH-OE2 3.17Å
212E95.1Very high95.3Very high121 Ų12163.9 Ų63.957%0.56532%0.321SS*.THydrogen-bonded Turntrans-89.9-10.5-177-55.4-160.4140.500113.8L210 S214 S289 R291L210-E212 VanDerWaalsContact C-N 3.28Å; L210-E212 PolarHBondContact O-N 3.45Å; L210-E212 VanDerWaalsContact O-N 3.16Å; E212-S214 PolarHBondContact O-N 2.94Å; E212-S289 VanDerWaalsContact C-CB 3.49Å; E212-S289 WeakPolarHBondContact O-CB 3.45Å; E212-R291 IonicContact OE1-CZ 3.81Å; E212-R291 IonicContact OE1-NH1 2.77Å; E212-R291 PolarHBondContact OE1-NH1 3.18Å
213Y95.7Very high95.3Very high41 Ų4164.2 Ų64.216%0.16132%0.323CS..  trans-78.2127.4-176.8-68.7-93.6000111.4M162 R164 P209 L210 L218 A221 L223 S289M162-Y213 HydrophobicContact CE-CE2 4.05Å; R164-Y213 PolarHBondContact NH1-OH 3.45Å; P209-Y213 VanDerWaalsContact O-CE2 3.26Å; P209-Y213 WeakPolarHBondContact O-CE2 3.42Å; L210-Y213 HydrophobicContact CD2-CD2 4.11Å; L210-Y213 HydrophobicContact CD2-CG 4.45Å; L210-Y213 PolarHBondContact O-N 2.98Å; L210-Y213 VanDerWaalsContact O-N 3.07Å; Y213-L218 HydrophobicContact CD1-CD1 4.42Å; Y213-A221 HydrophobicContact CD1-CB 4.05Å; Y213-A221 HydrophobicContact CE1-CB 3.56Å; Y213-L223 HydrophobicContact CD1-CD2 4.36Å; Y213-L223 HydrophobicContact CE1-CD2 3.85Å; Y213-L223 HydrophobicContact CE2-CD2 4.36Å; Y213-S289 VanDerWaalsContact O-CA 3.24Å; Y213-S289 WeakPolarHBondContact O-CA 3.37Å; Y213-S289 VanDerWaalsContact O-CB 3.31Å; Y213-S289 WeakPolarHBondContact O-CB 3.33Å
214S95.8Very high95.3Very high21 Ų2165.4 Ų65.415%0.14733%0.325CS..  trans-94.6170.4170.171.70000110.6E212 Q216 T217 L218E212-S214 PolarHBondContact O-N 2.94Å; S214-Q216 PolarHBondContact O-N 2.87Å; S214-Q216 VanDerWaalsContact O-N 3.17Å; S214-Q216 PolarHBondContact OG-N 3.49Å; S214-T217 PolarHBondContact N-OG1 3.48Å; S214-T217 PolarHBondContact O-N 3.2Å; S214-T217 PolarHBondContact O-OG1 2.91Å; S214-T217 WeakPolarHBondContact OG-CG2 3.31Å; S214-T217 PolarHBondContact OG-N 3.4Å; S214-T217 VanDerWaalsContact OG-N 3.11Å; S214-T217 PolarHBondContact OG-OG1 3.32Å; S214-L218 VanDerWaalsContact O-CB 3.22Å; S214-L218 WeakPolarHBondContact O-CB 3.21Å; S214-L218 PolarHBondContact O-N 2.88Å
215C95.5Very high95.4Very high15 Ų1565 Ų6510%0.10132%0.323CS..Hα-helixtrans-56.1-33.9175.6177.10000113K219 W253 R287C215-K219 WeakPolarHBondContact O-CG 3.44Å; C215-W253 HydrophobicContact CB-CB 4.36Å; C215-W253 HydrophobicContact CB-CD2 3.65Å; C215-W253 HydrophobicContact CB-CE3 4.19Å; C215-W253 HydrophobicContact CB-CG 3.69Å; C215-W253 HydrophobicContact CB-CZ2 4.37Å; C215-R287 HydrophobicContact CB-CB 3.89Å; C215-R287 HydrophobicContact CB-CG 4.2Å; C215-R287 WeakPolarHBondContact CB-O 3.28Å; C215-R287 PolarHBondContact N-O 3.32Å
216Q95Very high95.6Very high149 Ų14964 Ų6470%0.69632%0.319SS*.Hα-helixtrans-81.3-47.6179-71.7174.2-23.100111.7S214 L218 K219S214-Q216 PolarHBondContact O-N 2.87Å; S214-Q216 VanDerWaalsContact O-N 3.17Å; S214-Q216 PolarHBondContact OG-N 3.49Å; Q216-L218 VanDerWaalsContact C-N 3.28Å; Q216-L218 PolarHBondContact O-N 2.89Å; Q216-K219 PolarHBondContact O-N 3.28Å
217T95.4Very high95.7Very high66 Ų6658.9 Ų58.941%0.40529%0.291SS..Hα-helixtrans-68.4-29.5-177.557.60000112.3S214 T220 A221S214-T217 PolarHBondContact N-OG1 3.48Å; S214-T217 PolarHBondContact O-N 3.2Å; S214-T217 PolarHBondContact O-OG1 2.91Å; S214-T217 WeakPolarHBondContact OG-CG2 3.31Å; S214-T217 PolarHBondContact OG-N 3.4Å; S214-T217 VanDerWaalsContact OG-N 3.11Å; S214-T217 PolarHBondContact OG-OG1 3.32Å; T217-T220 PolarHBondContact O-N 3.48Å; T217-T220 PolarHBondContact O-OG1 2.97Å; T217-A221 PolarHBondContact O-N 3.37Å; T217-A221 VanDerWaalsContact O-N 3.13Å
218L95.9Very high95.9Very high5 Ų551.2 Ų51.23%0.02626%0.259CS..Hα-helixtrans-62.1-42.3173.6-174.964.8000111.5I132 L210 Y213 S214 Q216 T220 A221 L223 P248 I251 W253I132-L218 HydrophobicContact CD1-CD2 3.55Å; L210-L218 HydrophobicContact CD2-CD1 4.2Å; Y213-L218 HydrophobicContact CD1-CD1 4.42Å; S214-L218 VanDerWaalsContact O-CB 3.22Å; S214-L218 WeakPolarHBondContact O-CB 3.21Å; S214-L218 PolarHBondContact O-N 2.88Å; Q216-L218 VanDerWaalsContact C-N 3.28Å; Q216-L218 PolarHBondContact O-N 2.89Å; L218-T220 PolarHBondContact O-N 3.01Å; L218-A221 VanDerWaalsContact O-CB 3.29Å; L218-A221 WeakPolarHBondContact O-CB 3.47Å; L218-A221 PolarHBondContact O-N 2.94Å; L218-A221 VanDerWaalsContact O-N 3.08Å; L218-L223 HydrophobicContact CD1-CD2 4.05Å; L218-P248 VanDerWaalsContact O-CB 3.25Å; L218-P248 WeakPolarHBondContact O-CB 3.37Å; L218-I251 HydrophobicContact CD2-CB 4.34Å; L218-I251 HydrophobicContact CD2-CG2 3.95Å; L218-W253 HydrophobicContact CD2-CE3 3.94Å; L218-W253 HydrophobicContact CD2-CZ3 4.3Å
219K93Very high95.8Very high158 Ų15850.9 Ų50.969%0.68726%0.257SS*.Hα-helixtrans-61.2-30.8-178.2-72.9-178.3178.9-166.10113.7C215 Q216C215-K219 WeakPolarHBondContact O-CG 3.44Å; Q216-K219 PolarHBondContact O-N 3.28Å
220T94.3Very high95.7Very high118 Ų11852.2 Ų52.272%0.72426%0.261SS*.THydrogen-bonded Turntrans-100.52179.9570000112.6T217 L218T217-T220 PolarHBondContact O-N 3.48Å; T217-T220 PolarHBondContact O-OG1 2.97Å; L218-T220 PolarHBondContact O-N 3.01Å
221A94.3Very high95.6Very high18 Ų1852.2 Ų52.215%0.14926%0.262CS..  trans-69.7147.9-178.700000111.1Y213 T217 L218 L223 P248Y213-A221 HydrophobicContact CD1-CB 4.05Å; Y213-A221 HydrophobicContact CE1-CB 3.56Å; T217-A221 PolarHBondContact O-N 3.37Å; T217-A221 VanDerWaalsContact O-N 3.13Å; L218-A221 VanDerWaalsContact O-CB 3.29Å; L218-A221 WeakPolarHBondContact O-CB 3.47Å; L218-A221 PolarHBondContact O-N 2.94Å; L218-A221 VanDerWaalsContact O-N 3.08Å; A221-L223 HydrophobicContact CB-CD2 3.59Å; A221-L223 HydrophobicContact CB-CG 4.01Å; A221-P248 WeakPolarHBondContact O-CG 3.41Å
222Q94.8Very high95.4Very high169 Ų16952.5 Ų52.579%0.7927%0.265SS*.  trans-103.386.5168.2-68.4-178.1-11.100108.2
223L96.3Very high95.1Very high9 Ų946.8 Ų46.85%0.04724%0.239CC..EExtended strand (participates in β ladder)trans-146.4158.617861.786.7000109.5M162 I163 R164 L210 Y213 L218 A221 I225 P248M162-L223 HydrophobicContact CE-CB 3.74Å; M162-L223 HydrophobicContact CE-CD2 3.51Å; M162-L223 HydrophobicContact CE-CG 4.14Å; M162-L223 HydrophobicContact CG-CB 4.48Å; M162-L223 HydrophobicContact SD-CD2 4.4Å; I163-L223 CarbonylContact O-C 3.6Å; I163-L223 WeakPolarHBondContact O-CA 3.22Å; R164-L223 HydrophobicContact CB-CB 4.11Å; L210-L223 HydrophobicContact CD2-CD2 4.24Å; Y213-L223 HydrophobicContact CD1-CD2 4.36Å; Y213-L223 HydrophobicContact CE1-CD2 3.85Å; Y213-L223 HydrophobicContact CE2-CD2 4.36Å; L218-L223 HydrophobicContact CD1-CD2 4.05Å; A221-L223 HydrophobicContact CB-CD2 3.59Å; A221-L223 HydrophobicContact CB-CG 4.01Å; L223-I225 HydrophobicContact CD1-CD1 4.3Å; L223-I225 HydrophobicContact CD1-CG1 3.98Å; L223-P248 HydrophobicContact CD1-CG 4.01Å; L223-P248 HydrophobicContact CG-CG 4.03Å; L223-P248 VanDerWaalsContact O-CD 3.23Å; L223-P248 WeakPolarHBondContact O-CD 3.35Å; L223-P248 WeakPolarHBondContact O-CG 3.16Å
224E97.8Very high94.6Very high72 Ų7249.7 Ų49.734%0.33625%0.254SS..EExtended strand (participates in β ladder)trans-135.6133.7172.1-176.6171.5-17800108.5I163 S245 L247I163-E224 PolarHBondContact N-O 3.32Å; I163-E224 PolarHBondContact O-N 2.77Å; E224-S245 WeakPolarHBondContact OE1-CB 3.27Å; E224-S245 PolarHBondContact OE1-OG 2.95Å; E224-L247 HydrophobicContact CB-CD2 4.33Å; E224-L247 HydrophobicContact CG-CD2 4.18Å
225I98Very high94.1Very high0 Ų053.6 Ų53.60%028%0.281CS..EExtended strand (participates in β ladder)trans-106.7112178.1-59175.3000108.5F141 L160 Q161 M162 M181 L210 L223 S245 Y246 I251F141-I225 HydrophobicContact CD2-CD1 4.23Å; F141-I225 HydrophobicContact CE1-CG2 4.19Å; F141-I225 HydrophobicContact CE2-CD1 3.69Å; F141-I225 HydrophobicContact CZ-CB 4.45Å; F141-I225 HydrophobicContact CZ-CD1 3.89Å; F141-I225 HydrophobicContact CZ-CG2 4.07Å; L160-I225 HydrophobicContact CD1-CG2 3.42Å; L160-I225 VanDerWaalsContact CD1-CG2 3.42Å; L160-I225 HydrophobicContact CD2-CG2 4.04Å; L160-I225 HydrophobicContact CG-CG2 3.65Å; Q161-I225 CarbonylContact O-C 3.51Å; Q161-I225 WeakPolarHBondContact O-CA 3.22Å; M162-I225 HydrophobicContact CB-CG1 4.49Å; M162-I225 HydrophobicContact CG-CG1 4.41Å; M181-I225 HydrophobicContact CE-CD1 4.24Å; M181-I225 HydrophobicContact SD-CD1 4.14Å; M181-I225 HydrophobicContact SD-CG1 4.22Å; M181-I225 HydrophobicContact SD-CG2 3.82Å; L210-I225 HydrophobicContact CD1-CD1 3.97Å; L210-I225 HydrophobicContact CD2-CD1 4.44Å; L223-I225 HydrophobicContact CD1-CD1 4.3Å; L223-I225 HydrophobicContact CD1-CG1 3.98Å; I225-S245 CarbonylContact O-C 3.58Å; I225-S245 VanDerWaalsContact O-CA 3.26Å; I225-S245 WeakPolarHBondContact O-CA 3.33Å; I225-Y246 PolarHBondContact N-O 3.23Å; I225-Y246 PolarHBondContact O-N 3.46Å; I225-I251 HydrophobicContact CD1-CD1 3.82Å
226V98.1Very high93.7Very high23 Ų2355.7 Ų55.714%0.13929%0.293CS..EExtended strand (participates in β ladder)trans-92.6123.3178.3-176.50000109.4L160 Q161 I163 I228 L243 T244L160-V226 WeakPolarHBondContact CA-O 3.47Å; Q161-V226 PolarHBondContact N-O 2.71Å; Q161-V226 PolarHBondContact O-N 3.3Å; I163-V226 HydrophobicContact CD1-CG2 3.68Å; I163-V226 HydrophobicContact CG1-CG2 4.29Å; V226-I228 HydrophobicContact CG1-CG1 4.07Å; V226-L243 HydrophobicContact CG1-CD2 4.49Å; V226-T244 CarbonylContact C-O 3.59Å; V226-T244 WeakPolarHBondContact CA-O 3.43Å
227A97.5Very high93.3Very high0 Ų051.2 Ų51.20%029%0.287CS..EExtended strand (participates in β ladder)trans-103.8132.1172.700000109.8F126 F143 L160 L243 T244 Y246F126-A227 HydrophobicContact CD1-CB 4.39Å; F126-A227 HydrophobicContact CE1-CB 4.13Å; F143-A227 HydrophobicContact CD2-CB 4.29Å; F143-A227 HydrophobicContact CE1-CB 4.43Å; F143-A227 HydrophobicContact CE2-CB 3.69Å; F143-A227 HydrophobicContact CZ-CB 3.75Å; L160-A227 HydrophobicContact CD1-CB 3.7Å; A227-L243 WeakPolarHBondContact O-CA 3.49Å; A227-T244 HydrophobicContact CB-CG2 3.87Å; A227-T244 PolarHBondContact N-O 2.92Å; A227-T244 PolarHBondContact O-N 3.07Å; A227-Y246 HydrophobicContact CB-CE2 4.18Å
228I96.5Very high92.9Very high21 Ų2151 Ų5111%0.10828%0.283CS..EExtended strand (participates in β ladder)trans-123.4125.2-175.8-51.6174.1000107.4V158 R159 V226 E230 Q241 L243V158-I228 CarbonylContact C-O 3.5Å; V158-I228 VanDerWaalsContact CA-O 3.28Å; V158-I228 WeakPolarHBondContact CA-O 2.95Å; R159-I228 HydrophobicContact CB-CB 4.41Å; R159-I228 PolarHBondContact N-O 2.92Å; R159-I228 PolarHBondContact O-N 3.38Å; V226-I228 HydrophobicContact CG1-CG1 4.07Å; I228-E230 HydrophobicContact CG2-CG 4.09Å; I228-Q241 HydrophobicContact CG2-CG 3.81Å; I228-L243 HydrophobicContact CD1-CD2 4.49Å; I228-L243 HydrophobicContact CG1-CD2 4.09Å; I228-L243 HydrophobicContact CG1-CG 4.49Å; I228-L243 HydrophobicContact CG2-CG 4.48Å
229L95.2Very high92.7Very high0 Ų056.2 Ų56.20%032%0.315CS..EExtended strand (participates in β ladder)trans-114.1122.7171.9173.564.1000108.3L124 F126 L153 V158 L192 L194 Q241 A242L124-L229 HydrophobicContact CB-CD2 4.15Å; L124-L229 HydrophobicContact CD1-CD2 4.02Å; L124-L229 HydrophobicContact CD1-CG 4.37Å; L124-L229 HydrophobicContact CD2-CD2 4.04Å; L124-L229 HydrophobicContact CG-CD2 4.29Å; F126-L229 HydrophobicContact CE1-CB 4.1Å; F126-L229 HydrophobicContact CZ-CB 3.6Å; L153-L229 HydrophobicContact CD2-CD1 4.3Å; L153-L229 HydrophobicContact CD2-CD2 4.39Å; L153-L229 HydrophobicContact CD2-CG 4.28Å; V158-L229 HydrophobicContact CG2-CB 4.17Å; V158-L229 HydrophobicContact CG2-CD1 3.48Å; V158-L229 VanDerWaalsContact CG2-CD1 3.48Å; V158-L229 HydrophobicContact CG2-CG 4.39Å; L192-L229 HydrophobicContact CD1-CD1 4.18Å; L194-L229 HydrophobicContact CD2-CD2 3.91Å; L229-Q241 CarbonylContact O-C 3.51Å; L229-Q241 WeakPolarHBondContact O-CA 3.28Å; L229-A242 PolarHBondContact N-O 3.12Å; L229-A242 PolarHBondContact O-N 3.16Å
230E93.7Very high92.5Very high49 Ų4949 Ų4923%0.22929%0.285CS..EExtended strand (participates in β ladder)trans-121.9149.1178.6-76.3175.5-153.500110.2A156 H157 I228 A240 Q241A156-E230 CarbonylContact C-O 3.51Å; A156-E230 VanDerWaalsContact CA-O 3.24Å; A156-E230 WeakPolarHBondContact CA-O 3.28Å; H157-E230 WeakPolarHBondContact CE1-CB 3.39Å; H157-E230 IonicContact CE1-OE2 2.8Å; H157-E230 PolarHBondContact N-O 3.3Å; H157-E230 IonicContact NE2-OE2 3.67Å; H157-E230 PolarHBondContact NE2-OE2 2.94Å; H157-E230 PolarHBondContact O-N 3.4Å; I228-E230 HydrophobicContact CG2-CG 4.09Å; E230-A240 WeakPolarHBondContact CA-O 3.37Å; E230-Q241 HydrophobicContact CG-CB 4.03Å; E230-Q241 HydrophobicContact CG-CG 3.7Å; E230-Q241 PolarHBondContact OE1-NE2 3.2Å
231G93.1Very high92.4Very high4 Ų447.9 Ų47.94%0.04127%0.271CS..EExtended strand (participates in β ladder)trans-177.4177.5172.600000112.1L154 T239 A240L154-G231 CarbonylContact O-C 3.55Å; L154-G231 WeakPolarHBondContact O-CA 3.26Å; G231-T239 CarbonylContact O-C 3.54Å; G231-T239 WeakPolarHBondContact O-CA 3.17Å; G231-A240 PolarHBondContact N-O 2.7Å; G231-A240 PolarHBondContact O-N 2.96Å
232I92Very high92.3Very high43 Ų4347.3 Ų47.322%0.22127%0.266CS..EExtended strand (participates in β ladder)trans-104.7135.7-177.5-59.4171.1000109.9L154 E155 E234 T239L154-I232 HydrophobicContact CB-CB 4.16Å; L154-I232 PolarHBondContact N-O 2.86Å; L154-I232 PolarHBondContact O-N 3.38Å; E155-I232 HydrophobicContact CB-CD1 4.39Å; E155-I232 HydrophobicContact CG-CD1 4.38Å; E155-I232 VanDerWaalsContact OE2-CD1 3.28Å; E155-I232 WeakPolarHBondContact OE2-CD1 3.5Å; I232-E234 PolarHBondContact O-N 3.42Å; I232-T239 HydrophobicContact CG1-CG2 4.06Å
233I88.6Confident92.3Very high2 Ų244.1 Ų44.11%0.0125%0.254CS..EExtended strand (participates in β ladder)trans-83.8113.9-179.6-66.6177.4000109.4P117 R120 S235 T236 G237 M238 A240P117-I233 HydrophobicContact CB-CD1 3.05Å; P117-I233 HydrophobicContact CG-CD1 3.5Å; P117-I233 VanDerWaalsContact CG-CD1 3.5Å; R120-I233 HydrophobicContact CB-CD1 3.87Å; R120-I233 HydrophobicContact CG-CD1 3.91Å; R120-I233 HydrophobicContact CG-CG1 4.23Å; I233-S235 VanDerWaalsContact C-N 3.28Å; I233-S235 PolarHBondContact O-N 2.89Å; I233-S235 VanDerWaalsContact O-N 3.13Å; I233-T236 WeakPolarHBondContact CB-OG1 3.31Å; I233-T236 HydrophobicContact CG2-CG2 4.15Å; I233-T236 VanDerWaalsContact CG2-OG1 3.26Å; I233-T236 WeakPolarHBondContact CG2-OG1 3.49Å; I233-T236 PolarHBondContact O-N 3.47Å; I233-T236 VanDerWaalsContact O-N 3.09Å; I233-G237 PolarHBondContact O-N 3.3Å; I233-M238 WeakPolarHBondContact CB-O 3.31Å; I233-M238 PolarHBondContact N-O 3.44Å; I233-A240 HydrophobicContact CD1-CB 3.7Å; I233-A240 HydrophobicContact CG1-CB 3.89Å
234E86.7Confident92.3Very high101 Ų10145.6 Ų45.647%0.47226%0.264SS..THydrogen-bonded Turntrans-45.5-45.3179.9-174175.2-167.100114.3H152 L154 I232H152-E234 PolarHBondContact N-OE2 2.75Å; H152-E234 VanDerWaalsContact N-OE2 3.11Å; L154-E234 HydrophobicContact CD1-CB 4.28Å; L154-E234 HydrophobicContact CD1-CG 4.49Å; L154-E234 HydrophobicContact CG-CB 4.41Å; I232-E234 PolarHBondContact O-N 3.42Å
235S85.1Confident92.3Very high103 Ų10344.2 Ų44.272%0.7226%0.262SS*.THydrogen-bonded Turntrans-77.9-19.7-175.363.80000115.6I233I233-S235 VanDerWaalsContact C-N 3.28Å; I233-S235 PolarHBondContact O-N 2.89Å; I233-S235 VanDerWaalsContact O-N 3.13Å
236T85.7Confident92.3Very high59 Ų5944.2 Ų44.236%0.36226%0.262SS..THydrogen-bonded Turntrans-122.6-15.6-174.366.30000114I233 M238I233-T236 WeakPolarHBondContact CB-OG1 3.31Å; I233-T236 HydrophobicContact CG2-CG2 4.15Å; I233-T236 VanDerWaalsContact CG2-OG1 3.26Å; I233-T236 WeakPolarHBondContact CG2-OG1 3.49Å; I233-T236 PolarHBondContact O-N 3.47Å; I233-T236 VanDerWaalsContact O-N 3.09Å; T236-M238 HydrophobicContact CG2-CE 4.09Å; T236-M238 PolarHBondContact O-N 3.11Å; T236-M238 VanDerWaalsContact O-N 3.15Å; T236-M238 PolarHBondContact OG1-N 2.97Å
237G87.1Confident92.3Very high55 Ų5546.6 Ų46.657%0.56727%0.274SS*.  trans66.93.7-171.300000114.5I233I233-G237 PolarHBondContact O-N 3.3Å
238M87.8Confident92.3Very high62 Ų6247.4 Ų47.431%0.30528%0.279SS..  trans-86.5150.1178.7-67.4-170.8-79.400111.9A115 P117 I233 T236A115-M238 HydrophobicContact CB-CE 4.22Å; A115-M238 WeakPolarHBondContact O-CE 3.33Å; P117-M238 HydrophobicContact CG-CB 4.27Å; P117-M238 HydrophobicContact CG-CE 4.3Å; I233-M238 WeakPolarHBondContact CB-O 3.31Å; I233-M238 PolarHBondContact N-O 3.44Å; T236-M238 HydrophobicContact CG2-CE 4.09Å; T236-M238 PolarHBondContact O-N 3.11Å; T236-M238 VanDerWaalsContact O-N 3.15Å; T236-M238 PolarHBondContact OG1-N 2.97Å
239T90.7Very high92.2Very high114 Ų11450.9 Ų50.970%0.69931%0.305SS*.EExtended strand (participates in β ladder)trans-75.4138.4174.151.10000111.1G231 I232G231-T239 CarbonylContact O-C 3.54Å; G231-T239 WeakPolarHBondContact O-CA 3.17Å; I232-T239 HydrophobicContact CG1-CG2 4.06Å
240A89.9Confident92.3Very high7 Ų753.9 Ų53.96%0.05832%0.319CS..EExtended strand (participates in β ladder)trans-117.5141170.900000109.4E230 G231 I233E230-A240 WeakPolarHBondContact CA-O 3.37Å; G231-A240 PolarHBondContact N-O 2.7Å; G231-A240 PolarHBondContact O-N 2.96Å; I233-A240 HydrophobicContact CD1-CB 3.7Å; I233-A240 HydrophobicContact CG1-CB 3.89Å
241Q91.5Very high92.5Very high94 Ų9452 Ų5244%0.43931%0.31SS..EExtended strand (participates in β ladder)trans-128.1129.6175.3-174.1-176.464.600108.2I228 L229 E230 L243I228-Q241 HydrophobicContact CG2-CG 3.81Å; L229-Q241 CarbonylContact O-C 3.51Å; L229-Q241 WeakPolarHBondContact O-CA 3.28Å; E230-Q241 HydrophobicContact CG-CB 4.03Å; E230-Q241 HydrophobicContact CG-CG 3.7Å; E230-Q241 PolarHBondContact OE1-NE2 3.2Å; Q241-L243 HydrophobicContact CG-CD1 3.9Å; Q241-L243 HydrophobicContact CG-CG 4.33Å
242A93Very high92.7Very high6 Ų654.2 Ų54.25%0.0532%0.32CS..EExtended strand (participates in β ladder)trans-119.4138.4171.200000108.9L124 F126 L229L124-A242 HydrophobicContact CB-CB 3.69Å; L124-A242 HydrophobicContact CD1-CB 3.93Å; L124-A242 HydrophobicContact CG-CB 4.45Å; F126-A242 HydrophobicContact CE2-CB 3.79Å; F126-A242 HydrophobicContact CZ-CB 4.3Å; F126-A242 WeakPolarHBondContact CZ-O 3.35Å; L229-A242 PolarHBondContact N-O 3.12Å; L229-A242 PolarHBondContact O-N 3.16Å
243L94.8Very high93Very high102 Ų10253.8 Ų53.853%0.53432%0.315SS..EExtended strand (participates in β ladder)trans-126.6146.6-177.9-5795.6000110.2V226 A227 I228 Q241V226-L243 HydrophobicContact CG1-CD2 4.49Å; A227-L243 WeakPolarHBondContact O-CA 3.49Å; I228-L243 HydrophobicContact CD1-CD2 4.49Å; I228-L243 HydrophobicContact CG1-CD2 4.09Å; I228-L243 HydrophobicContact CG1-CG 4.49Å; I228-L243 HydrophobicContact CG2-CG 4.48Å; Q241-L243 HydrophobicContact CG-CD1 3.9Å; Q241-L243 HydrophobicContact CG-CG 4.33Å
244T96.4Very high93.4Very high40 Ų4054.1 Ų54.125%0.24532%0.319CS..EExtended strand (participates in β ladder)trans-141163.8164-166.40000108.9F126 V226 A227 Y246F126-T244 HydrophobicContact CB-CG2 3.53Å; F126-T244 HydrophobicContact CD1-CG2 3.49Å; F126-T244 VanDerWaalsContact CD1-CG2 3.49Å; F126-T244 HydrophobicContact CD2-CG2 3.81Å; F126-T244 HydrophobicContact CE1-CG2 4.08Å; F126-T244 HydrophobicContact CE2-CG2 4.35Å; F126-T244 HydrophobicContact CG-CG2 3.33Å; F126-T244 HydrophobicContact CZ-CG2 4.47Å; V226-T244 CarbonylContact C-O 3.59Å; V226-T244 WeakPolarHBondContact CA-O 3.43Å; A227-T244 HydrophobicContact CB-CG2 3.87Å; A227-T244 PolarHBondContact N-O 2.92Å; A227-T244 PolarHBondContact O-N 3.07Å; T244-Y246 HydrophobicContact CG2-CE2 3.75Å
245S97.4Very high93.9Very high43 Ų4351.7 Ų51.730%0.30131%0.307SS..EExtended strand (participates in β ladder)trans-127.5160.5167.9630000112.2E224 I225E224-S245 WeakPolarHBondContact OE1-CB 3.27Å; E224-S245 PolarHBondContact OE1-OG 2.95Å; I225-S245 CarbonylContact O-C 3.58Å; I225-S245 VanDerWaalsContact O-CA 3.26Å; I225-S245 WeakPolarHBondContact O-CA 3.33Å
246Y98.1Very high94.5Very high1 Ų151.6 Ų51.60%0.00429%0.291CS..EExtended strand (participates in β ladder)trans-128.3114.6176.5-60.5-78.1000109.4S127 A130 F141 F143 I225 A227 T244 E250S127-Y246 VanDerWaalsContact O-CE1 3.24Å; S127-Y246 WeakPolarHBondContact O-CE1 3.44Å; S127-Y246 PolarHBondContact O-OH 3.15Å; S127-Y246 PolarHBondContact OG-OH 2.95Å; A130-Y246 HydrophobicContact CB-CD1 3.73Å; A130-Y246 HydrophobicContact CB-CD2 4.3Å; A130-Y246 HydrophobicContact CB-CE1 3.97Å; A130-Y246 HydrophobicContact CB-CG 3.89Å; F141-Y246 HydrophobicContact CZ-CD2 4.18Å; F141-Y246 HydrophobicContact CZ-CG 4.5Å; F143-Y246 HydrophobicContact CB-CE2 3.98Å; F143-Y246 WeakPolarHBondContact CB-OH 3.37Å; F143-Y246 HydrophobicContact CD2-CE2 4.38Å; F143-Y246 HydrophobicContact CG-CE2 4.15Å; I225-Y246 PolarHBondContact N-O 3.23Å; I225-Y246 PolarHBondContact O-N 3.46Å; A227-Y246 HydrophobicContact CB-CE2 4.18Å; T244-Y246 HydrophobicContact CG2-CE2 3.75Å; Y246-E250 WeakPolarHBondContact CA-OE2 3.16Å
247L97.4Very high95Very high73 Ų7349.7 Ų49.738%0.38228%0.278SS..  trans-78.4160.7168.6-65.6173.3000110.6E224 S249 E250 I251E224-L247 HydrophobicContact CB-CD2 4.33Å; E224-L247 HydrophobicContact CG-CD2 4.18Å; L247-S249 PolarHBondContact O-N 3.49Å; L247-S249 VanDerWaalsContact O-N 3.11Å; L247-E250 HydrophobicContact CB-CG 4.43Å; L247-E250 PolarHBondContact N-OE2 3.48Å; L247-E250 WeakPolarHBondContact O-CA 3.47Å; L247-E250 WeakPolarHBondContact O-CB 3.29Å; L247-E250 PolarHBondContact O-N 3.41Å; L247-I251 WeakPolarHBondContact O-CG1 3.36Å; L247-I251 PolarHBondContact O-N 2.98Å
248P96.8Very high95.4Very high17 Ų1749.9 Ų49.911%0.1126%0.264CS..G310 helixtrans-60.7-27.4-178.4-25.236.9000114L218 A221 L223 E250 I251L218-P248 VanDerWaalsContact O-CB 3.25Å; L218-P248 WeakPolarHBondContact O-CB 3.37Å; A221-P248 WeakPolarHBondContact O-CG 3.41Å; L223-P248 HydrophobicContact CD1-CG 4.01Å; L223-P248 HydrophobicContact CG-CG 4.03Å; L223-P248 VanDerWaalsContact O-CD 3.23Å; L223-P248 WeakPolarHBondContact O-CD 3.35Å; L223-P248 WeakPolarHBondContact O-CG 3.16Å; P248-E250 VanDerWaalsContact C-N 3.27Å; P248-E250 PolarHBondContact O-N 3.36Å; P248-I251 PolarHBondContact O-N 3.4Å
249S96.3Very high95.7Very high94 Ų9454.8 Ų54.866%0.65729%0.286SS*.G310 helixtrans-67.6-24.417248.40000113.8L247L247-S249 PolarHBondContact O-N 3.49Å; L247-S249 VanDerWaalsContact O-N 3.11Å
250E97.4Very high95.8Very high62 Ų6249.7 Ų49.729%0.2926%0.255SS..G310 helixtrans-95-2.1-178-60.5168.1150.300112.2F129 A130 Y246 L247 P248F129-E250 WeakPolarHBondContact CA-O 3.44Å; F129-E250 HydrophobicContact CD1-CB 4.37Å; A130-E250 PolarHBondContact N-O 3.01Å; Y246-E250 WeakPolarHBondContact CA-OE2 3.16Å; L247-E250 HydrophobicContact CB-CG 4.43Å; L247-E250 PolarHBondContact N-OE2 3.48Å; L247-E250 WeakPolarHBondContact O-CA 3.47Å; L247-E250 WeakPolarHBondContact O-CB 3.29Å; L247-E250 PolarHBondContact O-N 3.41Å; P248-E250 VanDerWaalsContact C-N 3.27Å; P248-E250 PolarHBondContact O-N 3.36Å
251I97.8Very high95.8Very high10 Ų1051.8 Ų51.85%0.05127%0.265CS..EExtended strand (participates in β ladder)trans-98.1105.9177-54.4170.6000109.5A130 I132 F141 L218 I225 L247 P248 W253A130-I251 HydrophobicContact CB-CG1 4.31Å; A130-I251 CarbonylContact O-C 3.47Å; A130-I251 WeakPolarHBondContact O-CA 3.39Å; I132-I251 HydrophobicContact CD1-CG2 3.62Å; I132-I251 HydrophobicContact CG1-CG2 3.75Å; F141-I251 HydrophobicContact CD2-CG2 4.27Å; F141-I251 HydrophobicContact CE2-CD1 3.95Å; F141-I251 HydrophobicContact CE2-CG1 4.01Å; F141-I251 HydrophobicContact CE2-CG2 4.03Å; L218-I251 HydrophobicContact CD2-CB 4.34Å; L218-I251 HydrophobicContact CD2-CG2 3.95Å; I225-I251 HydrophobicContact CD1-CD1 3.82Å; L247-I251 WeakPolarHBondContact O-CG1 3.36Å; L247-I251 PolarHBondContact O-N 2.98Å; P248-I251 PolarHBondContact O-N 3.4Å; I251-W253 PolarHBondContact O-N 3.49Å
252H97.3Very high95.6Very high51 Ų5150.8 Ų50.824%0.23627%0.265CS..EExtended strand (participates in β ladder)trans-84.2106.1179.5-67.9-7000111.8F129 A130 C131 I132 H255F129-H252 AromaticContact CD1-CE1 3.59Å; F129-H252 AromaticContact CD1-NE2 3.55Å; F129-H252 AromaticContact CE1-CE1 3.92Å; F129-H252 AromaticContact CE1-NE2 3.9Å; F129-H252 AromaticContact CG-NE2 3.63Å; A130-H252 PolarHBondContact O-N 2.99Å; C131-H252 WeakPolarHBondContact CA-O 3.18Å; I132-H252 PolarHBondContact N-O 3.25Å; H252-H255 HydrophobicContact CB-CB 3.78Å; H252-H255 AromaticContact CD2-ND1 3.97Å
253W97.4Very high95.2Very high34 Ų3454.7 Ų54.713%0.12929%0.285CS..EExtended strand (participates in β ladder)trans-74.4131174.3-167.3-72.1000111.8I132 L139 C215 L218 I251 P286 R288I132-W253 HydrophobicContact CB-CD2 4.27Å; I132-W253 HydrophobicContact CB-CE3 4.06Å; I132-W253 HydrophobicContact CD1-CE3 3.75Å; I132-W253 HydrophobicContact CD1-CZ3 3.92Å; I132-W253 HydrophobicContact CG2-CD2 3.95Å; I132-W253 HydrophobicContact CG2-CE3 3.79Å; I132-W253 HydrophobicContact CG2-CH2 4.22Å; I132-W253 HydrophobicContact CG2-CZ2 4.33Å; I132-W253 HydrophobicContact CG2-CZ3 3.94Å; L139-W253 HydrophobicContact CD1-CZ2 4.03Å; L139-W253 HydrophobicContact CD2-CH2 3.43Å; L139-W253 VanDerWaalsContact CD2-CH2 3.43Å; L139-W253 HydrophobicContact CD2-CZ2 3.76Å; L139-W253 HydrophobicContact CD2-CZ3 4.21Å; C215-W253 HydrophobicContact CB-CB 4.36Å; C215-W253 HydrophobicContact CB-CD2 3.65Å; C215-W253 HydrophobicContact CB-CE3 4.19Å; C215-W253 HydrophobicContact CB-CG 3.69Å; C215-W253 HydrophobicContact CB-CZ2 4.37Å; L218-W253 HydrophobicContact CD2-CE3 3.94Å; L218-W253 HydrophobicContact CD2-CZ3 4.3Å; I251-W253 PolarHBondContact O-N 3.49Å; W253-P286 WeakPolarHBondContact CZ2-O 3.31Å; W253-P286 PolarHBondContact NE1-O 3.3Å; W253-R288 WeakPolarHBondContact CZ2-O 3.4Å
254G97Very high94.4Very high8 Ų853.2 Ų53.28%0.08228%0.275CS..THydrogen-bonded Turntrans75.430.4-17800000113.4I132 A282 V283 T285I132-G254 WeakPolarHBondContact O-CA 3.27Å; I132-G254 PolarHBondContact O-N 3.13Å; G254-A282 CarbonylContact O-C 3.57Å; G254-V283 PolarHBondContact O-N 2.98Å; G254-T285 WeakPolarHBondContact CA-OG1 3.4Å
255H97.7Very high93.5Very high50 Ų5058.7 Ų58.723%0.23130%0.303CS..EExtended strand (participates in β ladder)trans-117.7157.8177.2-79.6-130.8000111.3C131 I132 S133 H252 T280 F281C131-H255 HydrophobicContact CB-CB 4.29Å; C131-H255 WeakPolarHBondContact CB-O 3.41Å; I132-H255 PolarHBondContact O-N 3.5Å; S133-H255 VanDerWaalsContact CB-O 3.26Å; S133-H255 WeakPolarHBondContact CB-O 3.12Å; S133-H255 PolarHBondContact OG-O 2.78Å; H252-H255 HydrophobicContact CB-CB 3.78Å; H252-H255 AromaticContact CD2-ND1 3.97Å; H255-T280 PolarHBondContact ND1-OG1 3.49Å; H255-F281 CarbonylContact C-O 3.55Å; H255-F281 VanDerWaalsContact CA-O 3.3Å; H255-F281 WeakPolarHBondContact CA-O 3.39Å
256R96.8Very high92.4Very high101 Ų10164.2 Ų64.238%0.38133%0.328SS..EExtended strand (participates in β ladder)trans-133155.4168.1-71.5-171.2-175.7164.31109.5S133 I134 T280 F281 V283S133-R256 WeakPolarHBondContact OG-CG 3.33Å; I134-R256 PolarHBondContact O-NH2 3.44Å; R256-T280 CarbonylContact O-C 3.56Å; R256-T280 WeakPolarHBondContact O-CA 3.47Å; R256-T280 WeakPolarHBondContact O-CB 3.49Å; R256-F281 HydrophobicContact CB-CD1 4.49Å; R256-F281 HydrophobicContact CB-CE1 3.92Å; R256-F281 HydrophobicContact CB-CE2 4.3Å; R256-F281 HydrophobicContact CB-CZ 3.81Å; R256-F281 PolarHBondContact N-O 2.88Å; R256-F281 WeakPolarHBondContact O-CD1 3.23Å; R256-F281 PolarHBondContact O-N 2.87Å; R256-V283 HydrophobicContact CB-CG2 4.03Å; R256-V283 HydrophobicContact CG-CB 4.44Å; R256-V283 HydrophobicContact CG-CG2 3.83Å
257F97.3Very high91.4Very high19 Ų1970.3 Ų70.38%0.08336%0.36CS..EExtended strand (participates in β ladder)trans-75.3141.8174.7-66.9-78.6000111.9F129 C131 L142 R144 T199 T280 F281F129-F257 WeakPolarHBondContact O-CE1 3.34Å; F129-F257 VanDerWaalsContact O-CZ 3.25Å; F129-F257 WeakPolarHBondContact O-CZ 3.46Å; C131-F257 HydrophobicContact CB-CE2 4.31Å; L142-F257 HydrophobicContact CB-CD2 4.46Å; L142-F257 HydrophobicContact CB-CE2 4.02Å; R144-F257 HydrophobicContact CB-CE1 4.34Å; R144-F257 HydrophobicContact CB-CZ 4.3Å; T199-F257 HydrophobicContact CG2-CD2 3.78Å; T199-F257 HydrophobicContact CG2-CE2 4.1Å; F257-T280 HydrophobicContact CD1-CG2 3.75Å; F257-T280 HydrophobicContact CE1-CG2 3.88Å; F257-T280 HydrophobicContact CG-CG2 4.5Å; F257-F281 VanDerWaalsContact O-CE1 3.31Å; F257-F281 WeakPolarHBondContact O-CE1 3.33Å
258E95.4Very high90.6Very high60 Ų6069.5 Ų69.528%0.2837%0.37SS..PPolyproline II helixtrans-64.1148.3172.4-72.2-175.1-177.200111.6R144 K279 F281R144-E258 PolarHBondContact NH1-O 3.18Å; R144-E258 PolarHBondContact NH2-O 3.06Å; E258-K279 HydrophobicContact CB-CB 4.28Å; E258-K279 HydrophobicContact CG-CB 4.09Å; E258-K279 PolarHBondContact N-O 3.48Å; E258-K279 WeakPolarHBondContact OE2-CB 3.5Å; E258-K279 VanDerWaalsContact OE2-CD 3.31Å; E258-K279 WeakPolarHBondContact OE2-CD 3.39Å; E258-F281 HydrophobicContact CG-CD1 3.76Å
259E93Very high90Very high165 Ų16570.1 Ų70.177%0.77138%0.379SS*.PPolyproline II helixtrans-71.7127.8173.5-170.7166.7-159.700109.3L276E259-L276 WeakPolarHBondContact O-CD1 3.27Å
260L92.5Very high89.5Confident6 Ų674 Ų743%0.03138%0.381CS..  trans-115.9-9.1-173.466.399.2000113.5R144 P197 V272 D273 L276R144-L260 VanDerWaalsContact NH1-CD2 3.32Å; P197-L260 HydrophobicContact CB-CD1 3.96Å; P197-L260 HydrophobicContact CB-CD2 3.85Å; P197-L260 HydrophobicContact CG-CD1 3.73Å; P197-L260 HydrophobicContact CG-CD2 4.36Å; L260-V272 HydrophobicContact CD1-CB 4.26Å; L260-V272 HydrophobicContact CD1-CG1 3.4Å; L260-V272 VanDerWaalsContact CD1-CG1 3.4Å; L260-V272 HydrophobicContact CD1-CG2 4.44Å; L260-D273 PolarHBondContact O-N 3.18Å; L260-L276 HydrophobicContact CB-CB 4.11Å
261I90.4Very high89.1Confident52 Ų5275.8 Ų75.827%0.26739%0.389SS..EExtended strand (participates in β ladder)trans-99.6116.7-178.2-57.7177.5000107.1W196 Y270 Q271W196-I261 HydrophobicContact CB-CD1 4.02Å; W196-I261 HydrophobicContact CG-CD1 3.94Å; I261-Y270 HydrophobicContact CG2-CD1 3.63Å; I261-Y270 HydrophobicContact CG2-CG 4.24Å; I261-Q271 WeakPolarHBondContact CA-O 3.42Å
262T86.9Confident88.8Confident73 Ų7377.1 Ų77.145%0.44840%0.398SS..EExtended strand (participates in β ladder)trans-111.9136.2174.253.80000109.6Q271T262-Q271 PolarHBondContact N-O 3.26Å; T262-Q271 PolarHBondContact O-N 2.82Å; T262-Q271 PolarHBondContact OG1-O 2.67Å
263N84.6Confident88.5Confident88 Ų8877.8 Ų77.847%0.47140%0.403SS..EExtended strand (participates in β ladder)trans-79.1121.6172.9-169.9-23.6000109.1N265 Y270N263-N265 PolarHBondContact O-N 2.89Å; N263-Y270 HydrophobicContact CB-CE1 4.45Å
264Q78.4Confident88.3Confident71 Ų7180.4 Ų80.433%0.33241%0.413SS..  trans-81.5106.6171.9-73-165.6-600109.9I266 N267 G268 G269 Q271Q264-I266 PolarHBondContact O-N 3.31Å; Q264-I266 VanDerWaalsContact O-N 3.08Å; Q264-N267 PolarHBondContact O-N 2.75Å; Q264-G268 WeakPolarHBondContact O-CA 3.45Å; Q264-G268 PolarHBondContact O-N 3.23Å; Q264-G269 WeakPolarHBondContact CB-O 3.43Å; Q264-G269 PolarHBondContact N-O 3.49Å; Q264-Q271 HydrophobicContact CG-CB 4.04Å
265N76.7Confident88.1Confident154 Ų15483.4 Ų83.482%0.82443%0.433SS*.THydrogen-bonded Turntrans-59-23.2179.4-65.7-24.2000114.2N263N263-N265 PolarHBondContact O-N 2.89Å
266I75.8Confident88Confident160 Ų16082.5 Ų82.582%0.82143%0.43SS*.THydrogen-bonded Turntrans-81-41.5-173.2-57171.8000111.6Q264Q264-I266 PolarHBondContact O-N 3.31Å; Q264-I266 VanDerWaalsContact O-N 3.08Å
267N77.2Confident87.9Confident128 Ų12877.8 Ų77.868%0.68441%0.412SS*.THydrogen-bonded Turntrans-112.4-3.9-174.2-67.5-6.4000113.3Q264 G269Q264-N267 PolarHBondContact O-N 2.75Å; N267-G269 PolarHBondContact O-N 3.25Å; N267-G269 VanDerWaalsContact O-N 3.17Å
268G79.9Confident87.9Confident57 Ų5779.7 Ų79.759%0.58842%0.421SS*.SBendtrans67.77.9-174.300000114.3Q264Q264-G268 WeakPolarHBondContact O-CA 3.45Å; Q264-G268 PolarHBondContact O-N 3.23Å
269G83.4Confident88Confident30 Ų3081.7 Ų81.731%0.30943%0.428SS..  trans-85.7159.3179.300000112.8Q264 N267Q264-G269 WeakPolarHBondContact CB-O 3.43Å; Q264-G269 PolarHBondContact N-O 3.49Å; N267-G269 PolarHBondContact O-N 3.25Å; N267-G269 VanDerWaalsContact O-N 3.17Å
270Y86.9Confident88.2Confident174 Ų17475.3 Ų75.368%0.68240%0.401SS*.EExtended strand (participates in β ladder)trans-95.1128.8169.8-67.7-80.7000109.7I261 N263I261-Y270 HydrophobicContact CG2-CD1 3.63Å; I261-Y270 HydrophobicContact CG2-CG 4.24Å; N263-Y270 HydrophobicContact CB-CE1 4.45Å
271Q88.4Confident88.4Confident100 Ų10079.2 Ų79.247%0.46742%0.418SS..EExtended strand (participates in β ladder)trans-106.4135171.8-173.8178.56.200109.7I261 T262 Q264I261-Q271 WeakPolarHBondContact CA-O 3.42Å; T262-Q271 PolarHBondContact N-O 3.26Å; T262-Q271 PolarHBondContact O-N 2.82Å; T262-Q271 PolarHBondContact OG1-O 2.67Å; Q264-Q271 HydrophobicContact CG-CB 4.04Å
272V91.1Very high88.7Confident38 Ų3880.3 Ų80.323%0.2344%0.435CS..EExtended strand (participates in β ladder)trans-103.1114.6178175.90000107.9P197 L260 W274P197-V272 HydrophobicContact CG-CG1 3.87Å; L260-V272 HydrophobicContact CD1-CB 4.26Å; L260-V272 HydrophobicContact CD1-CG1 3.4Å; L260-V272 VanDerWaalsContact CD1-CG1 3.4Å; L260-V272 HydrophobicContact CD1-CG2 4.44Å; V272-W274 HydrophobicContact CG1-CD2 4.03Å; V272-W274 HydrophobicContact CG1-CG 4.38Å; V272-W274 HydrophobicContact CG1-CZ2 4.07Å; V272-W274 PolarHBondContact O-N 2.9Å
273D92.5Very high89.2Confident66 Ų6678.5 Ų78.535%0.35342%0.424SS..  trans-88.398.4171.7-174.5-6.7000110.4L260 S275 L276L260-D273 PolarHBondContact O-N 3.18Å; D273-S275 PolarHBondContact O-N 3.44Å; D273-S275 WeakPolarHBondContact OD1-CB 3.17Å; D273-S275 PolarHBondContact OD1-N 3.22Å; D273-S275 PolarHBondContact OD1-OG 2.97Å; D273-S275 PolarHBondContact OD2-OG 3.3Å; D273-L276 HydrophobicContact CB-CD1 4.19Å; D273-L276 HydrophobicContact CB-CG 4.23Å; D273-L276 PolarHBondContact O-N 3.45Å; D273-L276 VanDerWaalsContact O-N 3.15Å
274W92.3Very high89.7Confident88 Ų8884.3 Ų84.333%0.33345%0.445SS..G310 helixtrans-64.3-18.3179.4-66.1102000113.7I125 D147 M148 P197 V272 L276 F277I125-W274 HydrophobicContact CD1-CE3 3.69Å; I125-W274 HydrophobicContact CD1-CZ3 3.52Å; I125-W274 HydrophobicContact CG1-CZ3 4.07Å; D147-W274 WeakPolarHBondContact O-CH2 3.49Å; D147-W274 WeakPolarHBondContact O-CZ2 3.39Å; M148-W274 HydrophobicContact CG-CH2 4.15Å; M148-W274 HydrophobicContact CG-CZ2 4.29Å; M148-W274 HydrophobicContact CG-CZ3 4.27Å; P197-W274 HydrophobicContact CG-CE3 4.35Å; P197-W274 HydrophobicContact CG-CH2 3.68Å; P197-W274 HydrophobicContact CG-CZ2 4.39Å; P197-W274 HydrophobicContact CG-CZ3 3.63Å; V272-W274 HydrophobicContact CG1-CD2 4.03Å; V272-W274 HydrophobicContact CG1-CG 4.38Å; V272-W274 HydrophobicContact CG1-CZ2 4.07Å; V272-W274 PolarHBondContact O-N 2.9Å; W274-L276 PolarHBondContact O-N 3.27Å; W274-F277 HydrophobicContact CE3-CB 4.18Å; W274-F277 AromaticContact CE3-CD2 3.76Å; W274-F277 HydrophobicContact CE3-CD2 3.76Å; W274-F277 HydrophobicContact CE3-CE2 4.39Å; W274-F277 HydrophobicContact CE3-CG 4.05Å; W274-F277 AromaticContact CZ3-CD2 3.65Å; W274-F277 HydrophobicContact CZ3-CD2 3.65Å; W274-F277 AromaticContact CZ3-CE2 3.84Å; W274-F277 HydrophobicContact CZ3-CE2 3.84Å; W274-F277 HydrophobicContact CZ3-CG 4.32Å; W274-F277 WeakPolarHBondContact O-CB 3.28Å; W274-F277 PolarHBondContact O-N 2.85Å; W274-F277 VanDerWaalsContact O-N 3.11Å
275S93.5Very high90.5Very high72 Ų7281.8 Ų81.850%0.50343%0.434SS..G310 helixtrans-66.3-23.3175.479.40000112.6D273D273-S275 PolarHBondContact O-N 3.44Å; D273-S275 WeakPolarHBondContact OD1-CB 3.17Å; D273-S275 PolarHBondContact OD1-N 3.22Å; D273-S275 PolarHBondContact OD1-OG 2.97Å; D273-S275 PolarHBondContact OD2-OG 3.3Å
276L94.9Very high91.3Very high31 Ų3176.8 Ų76.816%0.16241%0.41CS..G310 helixtrans-92.3-6.2177-51.7-178.7000112.5R144 E259 L260 D273 W274 H278 K279R144-L276 PolarHBondContact NH1-O 3.19Å; E259-L276 WeakPolarHBondContact O-CD1 3.27Å; L260-L276 HydrophobicContact CB-CB 4.11Å; D273-L276 HydrophobicContact CB-CD1 4.19Å; D273-L276 HydrophobicContact CB-CG 4.23Å; D273-L276 PolarHBondContact O-N 3.45Å; D273-L276 VanDerWaalsContact O-N 3.15Å; W274-L276 PolarHBondContact O-N 3.27Å; L276-H278 VanDerWaalsContact C-N 3.28Å; L276-H278 PolarHBondContact O-N 3.47Å; L276-K279 HydrophobicContact CD2-CD 3.71Å; L276-K279 PolarHBondContact O-N 3.46Å
277F95.7Very high92.1Very high1 Ų178.1 Ų78.10%0.00441%0.405CS..THydrogen-bonded Turntrans-57.8-40.9-172.2179.7-94.6000112.4I125 R144 P197 W274I125-F277 HydrophobicContact CB-CE1 4.45Å; I125-F277 HydrophobicContact CD1-CD1 3.78Å; I125-F277 HydrophobicContact CD1-CD2 4.33Å; I125-F277 HydrophobicContact CD1-CE1 3.62Å; I125-F277 HydrophobicContact CD1-CE2 4.17Å; I125-F277 HydrophobicContact CD1-CG 4.16Å; I125-F277 HydrophobicContact CD1-CZ 3.84Å; I125-F277 HydrophobicContact CG1-CD1 4.47Å; I125-F277 HydrophobicContact CG1-CE1 3.81Å; I125-F277 HydrophobicContact CG1-CE2 4.23Å; I125-F277 HydrophobicContact CG1-CZ 3.69Å; R144-F277 HydrophobicContact CB-CE2 4.35Å; R144-F277 HydrophobicContact CB-CZ 4.2Å; R144-F277 HydrophobicContact CG-CD2 4.1Å; R144-F277 HydrophobicContact CG-CE2 3.55Å; R144-F277 HydrophobicContact CG-CZ 3.88Å; R144-F277 PolarHBondContact NH1-O 3.39Å; P197-F277 HydrophobicContact CB-CD2 3.9Å; P197-F277 HydrophobicContact CB-CE2 3.77Å; P197-F277 HydrophobicContact CG-CD2 3.93Å; P197-F277 HydrophobicContact CG-CE2 4.03Å; W274-F277 HydrophobicContact CE3-CB 4.18Å; W274-F277 AromaticContact CE3-CD2 3.76Å; W274-F277 HydrophobicContact CE3-CD2 3.76Å; W274-F277 HydrophobicContact CE3-CE2 4.39Å; W274-F277 HydrophobicContact CE3-CG 4.05Å; W274-F277 AromaticContact CZ3-CD2 3.65Å; W274-F277 HydrophobicContact CZ3-CD2 3.65Å; W274-F277 AromaticContact CZ3-CE2 3.84Å; W274-F277 HydrophobicContact CZ3-CE2 3.84Å; W274-F277 HydrophobicContact CZ3-CG 4.32Å; W274-F277 WeakPolarHBondContact O-CB 3.28Å; W274-F277 PolarHBondContact O-N 2.85Å; W274-F277 VanDerWaalsContact O-N 3.11Å
278H96.7Very high92.9Very high60 Ų6078.7 Ų78.728%0.27840%0.398SS..THydrogen-bonded Turntrans-92.5-8178.3-53.7-62.7000114.2F126 K128 L276F126-H278 PolarHBondContact O-CE1 3.44Å; K128-H278 PolarHBondContact N-ND1 3.32Å; L276-H278 VanDerWaalsContact C-N 3.28Å; L276-H278 PolarHBondContact O-N 3.47Å
279K96.8Very high93.6Very high101 Ų10176.8 Ų76.844%0.43938%0.375SS..  trans-75.2140.2-173.4-71.4-169.9-172.3170.30111.6E258 L276E258-K279 HydrophobicContact CB-CB 4.28Å; E258-K279 HydrophobicContact CG-CB 4.09Å; E258-K279 PolarHBondContact N-O 3.48Å; E258-K279 WeakPolarHBondContact OE2-CB 3.5Å; E258-K279 VanDerWaalsContact OE2-CD 3.31Å; E258-K279 WeakPolarHBondContact OE2-CD 3.39Å; L276-K279 HydrophobicContact CD2-CD 3.71Å; L276-K279 PolarHBondContact O-N 3.46Å
280T97.3Very high94.1Very high31 Ų3175.7 Ų75.719%0.1936%0.363CS..EExtended strand (participates in β ladder)trans-132.5148.9178.772.60000109.8C131 H255 R256 F257C131-T280 WeakPolarHBondContact SG-CG2 3.44Å; H255-T280 PolarHBondContact ND1-OG1 3.49Å; R256-T280 CarbonylContact O-C 3.56Å; R256-T280 WeakPolarHBondContact O-CA 3.47Å; R256-T280 WeakPolarHBondContact O-CB 3.49Å; F257-T280 HydrophobicContact CD1-CG2 3.75Å; F257-T280 HydrophobicContact CE1-CG2 3.88Å; F257-T280 HydrophobicContact CG-CG2 4.5Å
281F97Very high94.5Very high88 Ų8872.7 Ų72.739%0.38635%0.351SS..EExtended strand (participates in β ladder)trans-124.6148.5176.566.8-86.5000110.7H255 R256 F257 E258 V283H255-F281 CarbonylContact C-O 3.55Å; H255-F281 VanDerWaalsContact CA-O 3.3Å; H255-F281 WeakPolarHBondContact CA-O 3.39Å; R256-F281 HydrophobicContact CB-CD1 4.49Å; R256-F281 HydrophobicContact CB-CE1 3.92Å; R256-F281 HydrophobicContact CB-CE2 4.3Å; R256-F281 HydrophobicContact CB-CZ 3.81Å; R256-F281 PolarHBondContact N-O 2.88Å; R256-F281 WeakPolarHBondContact O-CD1 3.23Å; R256-F281 PolarHBondContact O-N 2.87Å; F257-F281 VanDerWaalsContact O-CE1 3.31Å; F257-F281 WeakPolarHBondContact O-CE1 3.33Å; E258-F281 HydrophobicContact CG-CD1 3.76Å; F281-V283 HydrophobicContact CD2-CG2 3.65Å; F281-V283 HydrophobicContact CE2-CG2 3.33Å; F281-V283 HydrophobicContact CZ-CG2 4.2Å
282A97.3Very high94.7Very high76 Ų7674.1 Ų74.163%0.62835%0.352SS*.EExtended strand (participates in β ladder)trans-74.2139.1-178.600000111.7G254G254-A282 CarbonylContact O-C 3.57Å
283V96.7Very high94.8Very high35 Ų3573.7 Ų73.721%0.21235%0.348CS..  trans-136.1139.2179.9-177.80000109.8G254 R256 F281 T285G254-V283 PolarHBondContact O-N 2.98Å; R256-V283 HydrophobicContact CB-CG2 4.03Å; R256-V283 HydrophobicContact CG-CB 4.44Å; R256-V283 HydrophobicContact CG-CG2 3.83Å; F281-V283 HydrophobicContact CD2-CG2 3.65Å; F281-V283 HydrophobicContact CE2-CG2 3.33Å; F281-V283 HydrophobicContact CZ-CG2 4.2Å; V283-T285 PolarHBondContact O-N 3.2Å; V283-T285 PolarHBondContact O-OG1 3.45Å
284K95Very high94.6Very high209 Ų20974.8 Ų74.891%0.90935%0.351SS*.  trans-57.8106.6177.7-169.9175.6-177.2176.80110.8
285T94.9Very high94.6Very high19 Ų1973.4 Ų73.412%0.11735%0.348CS..  trans-132.8134.5-177.6-56.80000108.6I134 L139 G254 V283I134-T285 HydrophobicContact CG1-CG2 4.24Å; L139-T285 HydrophobicContact CD1-CG2 3.97Å; G254-T285 WeakPolarHBondContact CA-OG1 3.4Å; V283-T285 PolarHBondContact O-N 3.2Å; V283-T285 PolarHBondContact O-OG1 3.45Å
286P94Very high94.3Very high49 Ų4973.2 Ų73.232%0.31834%0.341SS..  trans-57.1143.1174.4-24.435.1000111.6I134 W253 R288 L293I134-P286 HydrophobicContact CD1-CG 3.59Å; W253-P286 WeakPolarHBondContact CZ2-O 3.31Å; W253-P286 PolarHBondContact NE1-O 3.3Å; P286-R288 VanDerWaalsContact C-N 3.34Å; P286-L293 HydrophobicContact CB-CD1 4.19Å; P286-L293 HydrophobicContact CB-CD2 3.65Å; P286-L293 HydrophobicContact CB-CG 4.46Å; P286-L293 HydrophobicContact CG-CD1 4.5Å; P286-L293 HydrophobicContact CG-CD2 3.91Å
287R93.9Very high93.9Very high188 Ų18876.8 Ų76.871%0.70936%0.355SS*.  trans-87.7-1.7179.6-66.3-175.8176.3178.4-1.5114C215C215-R287 HydrophobicContact CB-CB 3.89Å; C215-R287 HydrophobicContact CB-CG 4.2Å; C215-R287 WeakPolarHBondContact CB-O 3.28Å; C215-R287 PolarHBondContact N-O 3.32Å
288R93.4Very high93.3Very high140 Ų14080.5 Ų80.553%0.52838%0.378SS..SBendtrans-82.6157.3-178.7-63.6-176.5178.9179.7-0.7110.7W253 P286 R292 L293W253-R288 WeakPolarHBondContact CZ2-O 3.4Å; P286-R288 VanDerWaalsContact C-N 3.34Å; R288-R292 HydrophobicContact CB-CB 4.33Å; R288-R292 HydrophobicContact CB-CG 4.45Å; R288-L293 HydrophobicContact CB-CD2 4.45Å; R288-L293 HydrophobicContact CB-CG 4.28Å
289S95.1Very high92.6Very high17 Ų1782 Ų8212%0.11939%0.391CS..  trans-63.6160.117459.90000112.3E212 Y213 R291 R292 L293E212-S289 VanDerWaalsContact C-CB 3.49Å; E212-S289 WeakPolarHBondContact O-CB 3.45Å; Y213-S289 VanDerWaalsContact O-CA 3.24Å; Y213-S289 WeakPolarHBondContact O-CA 3.37Å; Y213-S289 VanDerWaalsContact O-CB 3.31Å; Y213-S289 WeakPolarHBondContact O-CB 3.33Å; S289-R291 VanDerWaalsContact C-N 3.32Å; S289-R291 PolarHBondContact O-N 2.85Å; S289-R292 PolarHBondContact O-N 3.33Å; S289-R292 WeakPolarHBondContact OG-CB 3.2Å; S289-R292 PolarHBondContact OG-N 3.18Å; S289-L293 WeakPolarHBondContact O-CG 3.22Å; S289-L293 PolarHBondContact O-N 2.89Å
290A94.1Very high91.6Very high7 Ų778.7 Ų78.76%0.05839%0.386CS..Hα-helixtrans-60.5-43.4177.500000111.2L139 I204 Y211 R292 L293 E294L139-A290 HydrophobicContact CB-CB 4.38Å; L139-A290 HydrophobicContact CD2-CB 4.27Å; I204-A290 HydrophobicContact CB-CB 4.18Å; I204-A290 HydrophobicContact CG2-CB 3.53Å; I204-A290 WeakPolarHBondContact O-CB 3.11Å; Y211-A290 HydrophobicContact CD2-CB 3.67Å; Y211-A290 HydrophobicContact CE2-CB 4.07Å; Y211-A290 PolarHBondContact O-N 3.32Å; A290-R292 PolarHBondContact O-N 2.88Å; A290-L293 WeakPolarHBondContact O-CB 3.41Å; A290-L293 PolarHBondContact O-N 3.33Å; A290-L293 VanDerWaalsContact O-N 3.15Å; A290-E294 PolarHBondContact O-N 3.01Å
291R94.4Very high90.4Very high111 Ų11183.5 Ų83.542%0.41941%0.406SS..Hα-helixtrans-50-54.1171.7-176.8176.5169.5168.44.8112.6Y211 E212 S289 L293 E294 E295Y211-R291 HydrophobicContact CD1-CB 3.69Å; Y211-R291 HydrophobicContact CD1-CG 4.18Å; Y211-R291 HydrophobicContact CD2-CB 4.41Å; Y211-R291 HydrophobicContact CE1-CB 3.42Å; Y211-R291 VanDerWaalsContact CE1-CB 3.42Å; Y211-R291 HydrophobicContact CE1-CG 3.6Å; Y211-R291 HydrophobicContact CE2-CB 4.21Å; Y211-R291 HydrophobicContact CG-CB 4.19Å; Y211-R291 PolarHBondContact O-N 3.4Å; E212-R291 IonicContact OE1-CZ 3.81Å; E212-R291 IonicContact OE1-NH1 2.77Å; E212-R291 PolarHBondContact OE1-NH1 3.18Å; S289-R291 VanDerWaalsContact C-N 3.32Å; S289-R291 PolarHBondContact O-N 2.85Å; R291-L293 VanDerWaalsContact C-N 3.29Å; R291-L293 PolarHBondContact O-N 2.91Å; R291-E294 PolarHBondContact O-N 3.04Å; R291-E294 VanDerWaalsContact O-N 3.16Å; R291-E295 IonicContact NE-OE1 3.99Å; R291-E295 PolarHBondContact NE-OE1 3.01Å; R291-E295 VanDerWaalsContact NE-OE1 3.16Å; R291-E295 WeakPolarHBondContact O-CG 3.41Å; R291-E295 PolarHBondContact O-N 2.6Å
292R92.8Very high89.4Confident129 Ų12982.9 Ų82.949%0.48741%0.41SS..Hα-helixtrans-67-33.7-177.4-16956.9171.4-178.9-0.3111.9R288 S289 A290 E294 E295 I296R288-R292 HydrophobicContact CB-CB 4.33Å; R288-R292 HydrophobicContact CB-CG 4.45Å; S289-R292 PolarHBondContact O-N 3.33Å; S289-R292 WeakPolarHBondContact OG-CB 3.2Å; S289-R292 PolarHBondContact OG-N 3.18Å; A290-R292 PolarHBondContact O-N 2.88Å; R292-E294 VanDerWaalsContact C-N 3.33Å; R292-E295 WeakPolarHBondContact CD-OE2 3.47Å; R292-E295 IonicContact CZ-OE2 3.73Å; R292-E295 IonicContact NE-OE2 3.9Å; R292-E295 IonicContact NH1-OE2 2.99Å; R292-E295 PolarHBondContact NH1-OE2 3.33Å; R292-I296 HydrophobicContact CG-CD1 4.14Å; R292-I296 WeakPolarHBondContact O-CD1 3.25Å; R292-I296 WeakPolarHBondContact O-CG1 3.2Å; R292-I296 PolarHBondContact O-N 3.01Å; R292-I296 VanDerWaalsContact O-N 3.13Å
293L91.9Very high88.3Confident30 Ų3086.4 Ų86.416%0.15741%0.411CS..Hα-helixtrans-65.5-36.8174.9-74.3168.9000112.3L139 P286 R288 S289 A290 R291 K297L139-L293 HydrophobicContact CD1-CD1 4.37Å; P286-L293 HydrophobicContact CB-CD1 4.19Å; P286-L293 HydrophobicContact CB-CD2 3.65Å; P286-L293 HydrophobicContact CB-CG 4.46Å; P286-L293 HydrophobicContact CG-CD1 4.5Å; P286-L293 HydrophobicContact CG-CD2 3.91Å; R288-L293 HydrophobicContact CB-CD2 4.45Å; R288-L293 HydrophobicContact CB-CG 4.28Å; S289-L293 WeakPolarHBondContact O-CG 3.22Å; S289-L293 PolarHBondContact O-N 2.89Å; A290-L293 WeakPolarHBondContact O-CB 3.41Å; A290-L293 PolarHBondContact O-N 3.33Å; A290-L293 VanDerWaalsContact O-N 3.15Å; R291-L293 VanDerWaalsContact C-N 3.29Å; R291-L293 PolarHBondContact O-N 2.91Å; L293-K297 WeakPolarHBondContact O-CG 3.43Å; L293-K297 PolarHBondContact O-N 3.32Å
294E90.2Very high87.3Confident88 Ų8889.8 Ų89.841%0.41143%0.427SS..Hα-helixtrans-71.2-46.4176.8-169.4154.3-143.500111.7Y211 A290 R291 R292 I296 K297 V298Y211-E294 WeakPolarHBondContact CE2-OE2 3.34Å; Y211-E294 PolarHBondContact OH-OE2 3.17Å; A290-E294 PolarHBondContact O-N 3.01Å; R291-E294 PolarHBondContact O-N 3.04Å; R291-E294 VanDerWaalsContact O-N 3.16Å; R292-E294 VanDerWaalsContact C-N 3.33Å; E294-I296 VanDerWaalsContact C-N 3.27Å; E294-I296 PolarHBondContact O-N 3.45Å; E294-K297 WeakPolarHBondContact O-CB 3.44Å; E294-K297 PolarHBondContact O-N 3.2Å; E294-V298 WeakPolarHBondContact O-CG2 3.33Å; E294-V298 PolarHBondContact O-N 2.93Å
295E90.4Very high86.1Confident60 Ų6085.6 Ų85.628%0.2841%0.412SS..Hα-helixtrans-53.6-42.8173.8-72.4171.7-174.800112.2R291 R292 V298 T299R291-E295 IonicContact NE-OE1 3.99Å; R291-E295 PolarHBondContact NE-OE1 3.01Å; R291-E295 VanDerWaalsContact NE-OE1 3.16Å; R291-E295 WeakPolarHBondContact O-CG 3.41Å; R291-E295 PolarHBondContact O-N 2.6Å; R292-E295 WeakPolarHBondContact CD-OE2 3.47Å; R292-E295 IonicContact CZ-OE2 3.73Å; R292-E295 IonicContact NE-OE2 3.9Å; R292-E295 IonicContact NH1-OE2 2.99Å; R292-E295 PolarHBondContact NH1-OE2 3.33Å; E295-V298 PolarHBondContact O-N 3.38Å; E295-T299 WeakPolarHBondContact O-CB 3.31Å; E295-T299 PolarHBondContact O-N 3.45Å; E295-T299 PolarHBondContact O-OG1 3.25Å
296I88.3Confident85.3Confident68 Ų6889.2 Ų89.235%0.34943%0.429SS..Hα-helixtrans-66.5-40178.2-66.7157.2000111.4R292 E294 G300R292-I296 HydrophobicContact CG-CD1 4.14Å; R292-I296 WeakPolarHBondContact O-CD1 3.25Å; R292-I296 WeakPolarHBondContact O-CG1 3.2Å; R292-I296 PolarHBondContact O-N 3.01Å; R292-I296 VanDerWaalsContact O-N 3.13Å; E294-I296 VanDerWaalsContact C-N 3.27Å; E294-I296 PolarHBondContact O-N 3.45Å; I296-G300 PolarHBondContact O-N 3.46Å
297K85.4Confident84.6Confident105 Ų10593.9 Ų93.946%0.45744%0.442SS..Hα-helixtrans-64.5-44.9177.3-75.9175.3-175.2172.30111.3G137 L293 E294 G300 Q301G137-K297 PolarHBondContact O-NZ 2.92Å; L293-K297 WeakPolarHBondContact O-CG 3.43Å; L293-K297 PolarHBondContact O-N 3.32Å; E294-K297 WeakPolarHBondContact O-CB 3.44Å; E294-K297 PolarHBondContact O-N 3.2Å; K297-G300 PolarHBondContact O-N 2.77Å; K297-Q301 WeakPolarHBondContact O-CB 3.19Å; K297-Q301 WeakPolarHBondContact O-CG 3.44Å; K297-Q301 PolarHBondContact O-N 2.94Å
298V83.2Confident83.9Confident80 Ų8089.4 Ų89.449%0.48543%0.431SS..Hα-helixtrans-61.9-49.3177.4175.60000109.9E294 E295 G300 Q301 V302E294-V298 WeakPolarHBondContact O-CG2 3.33Å; E294-V298 PolarHBondContact O-N 2.93Å; E295-V298 PolarHBondContact O-N 3.38Å; V298-G300 VanDerWaalsContact C-N 3.33Å; V298-G300 PolarHBondContact O-N 3.16Å; V298-Q301 PolarHBondContact O-N 3.36Å; V298-V302 HydrophobicContact CG1-CG2 4.49Å; V298-V302 WeakPolarHBondContact O-CG2 3.3Å; V298-V302 PolarHBondContact O-N 3.47Å
299T82.1Confident83.3Confident91 Ų9190 Ų9056%0.55843%0.434SS*.Hα-helixtrans-60.1-42.6178.4-51.20000111.7E295 V302 F303E295-T299 WeakPolarHBondContact O-CB 3.31Å; E295-T299 PolarHBondContact O-N 3.45Å; E295-T299 PolarHBondContact O-OG1 3.25Å; T299-V302 PolarHBondContact O-N 3.47Å; T299-F303 PolarHBondContact O-N 2.78Å
300G76.3Confident82.7Confident32 Ų3293 Ų9333%0.3345%0.452SS..Hα-helixtrans-64.5-39.8177.300000113I296 K297 V298 F303 I304I296-G300 PolarHBondContact O-N 3.46Å; K297-G300 PolarHBondContact O-N 2.77Å; V298-G300 VanDerWaalsContact C-N 3.33Å; V298-G300 PolarHBondContact O-N 3.16Å; G300-F303 PolarHBondContact O-N 2.98Å; G300-I304 VanDerWaalsContact O-CG1 3.29Å; G300-I304 WeakPolarHBondContact O-CG1 3.48Å; G300-I304 PolarHBondContact O-N 3.38Å
301Q73.4Confident82Confident132 Ų13296.3 Ų96.362%0.61747%0.468SS*.Hα-helixtrans-66.3-41.1174.8-76.9178.4-18.400112.1K297 V298 F303 I304 M305K297-Q301 WeakPolarHBondContact O-CB 3.19Å; K297-Q301 WeakPolarHBondContact O-CG 3.44Å; K297-Q301 PolarHBondContact O-N 2.94Å; V298-Q301 PolarHBondContact O-N 3.36Å; Q301-F303 VanDerWaalsContact C-N 3.34Å; Q301-F303 PolarHBondContact O-N 3.11Å; Q301-I304 PolarHBondContact O-N 3.07Å; Q301-M305 WeakPolarHBondContact O-CB 3.33Å; Q301-M305 WeakPolarHBondContact O-CG 3.21Å; Q301-M305 PolarHBondContact O-N 3.14Å
302V75.2Confident81.1Confident75 Ų7594.1 Ų94.146%0.45547%0.47SS..Hα-helixtrans-61.5-43.5174.7172.60000110.6V298 T299 I304 M305 I306V298-V302 HydrophobicContact CG1-CG2 4.49Å; V298-V302 WeakPolarHBondContact O-CG2 3.3Å; V298-V302 PolarHBondContact O-N 3.47Å; T299-V302 PolarHBondContact O-N 3.47Å; V302-I304 PolarHBondContact O-N 3.3Å; V302-M305 WeakPolarHBondContact O-CB 3.22Å; V302-M305 PolarHBondContact O-N 2.8Å; V302-I306 HydrophobicContact CG1-CD1 3.76Å; V302-I306 HydrophobicContact CG1-CG1 4.34Å; V302-I306 WeakPolarHBondContact O-CG1 3.05Å; V302-I306 PolarHBondContact O-N 3.12Å
303F74Confident80.2Confident149 Ų14992.1 Ų92.165%0.65447%0.468SS*.Hα-helixtrans-63.4-42.1178.6-149.4-91.1000112.1T299 G300 Q301 M305 I306 Y307T299-F303 PolarHBondContact O-N 2.78Å; G300-F303 PolarHBondContact O-N 2.98Å; Q301-F303 VanDerWaalsContact C-N 3.34Å; Q301-F303 PolarHBondContact O-N 3.11Å; F303-M305 VanDerWaalsContact C-N 3.34Å; F303-I306 PolarHBondContact O-N 3.49Å; F303-Y307 VanDerWaalsContact O-CB 3.27Å; F303-Y307 WeakPolarHBondContact O-CB 3.43Å; F303-Y307 PolarHBondContact O-N 2.8Å
304I75.2Confident79Confident106 Ų10696.9 Ų96.954%0.54449%0.489SS..Hα-helixtrans-63.2-41.7174.3-68165.7000110.7G300 Q301 V302 Y307 L308G300-I304 VanDerWaalsContact O-CG1 3.29Å; G300-I304 WeakPolarHBondContact O-CG1 3.48Å; G300-I304 PolarHBondContact O-N 3.38Å; Q301-I304 PolarHBondContact O-N 3.07Å; V302-I304 PolarHBondContact O-N 3.3Å; I304-Y307 PolarHBondContact O-N 3.02Å; I304-L308 HydrophobicContact CG2-CD1 3.93Å; I304-L308 HydrophobicContact CG2-CG 4.4Å; I304-L308 WeakPolarHBondContact O-CB 2.98Å; I304-L308 VanDerWaalsContact O-CG 3.28Å; I304-L308 WeakPolarHBondContact O-CG 3.41Å; I304-L308 PolarHBondContact O-N 3.07Å
305M70Confident77.6Confident121 Ų121101.9 Ų101.960%0.59650%0.504SS*.Hα-helixtrans-63.2-45.7177.1-80.9-93.466.200112.2Q301 V302 F303 L308 Y309Q301-M305 WeakPolarHBondContact O-CB 3.33Å; Q301-M305 WeakPolarHBondContact O-CG 3.21Å; Q301-M305 PolarHBondContact O-N 3.14Å; V302-M305 WeakPolarHBondContact O-CB 3.22Å; V302-M305 PolarHBondContact O-N 2.8Å; F303-M305 VanDerWaalsContact C-N 3.34Å; M305-L308 HydrophobicContact CE-CD1 4.3Å; M305-L308 PolarHBondContact O-N 3.47Å; M305-Y309 WeakPolarHBondContact O-CB 3.41Å; M305-Y309 PolarHBondContact O-N 3.01Å
306I78.4Confident76.1Confident95 Ų95102.1 Ų102.149%0.48751%0.513SS..Hα-helixtrans-62.5-45.4176-67.4168.6000109.9V302 F303 L308 Y309 V310V302-I306 HydrophobicContact CG1-CD1 3.76Å; V302-I306 HydrophobicContact CG1-CG1 4.34Å; V302-I306 WeakPolarHBondContact O-CG1 3.05Å; V302-I306 PolarHBondContact O-N 3.12Å; F303-I306 PolarHBondContact O-N 3.49Å; I306-L308 PolarHBondContact O-N 2.86Å; I306-Y309 WeakPolarHBondContact O-CB 3.37Å; I306-Y309 PolarHBondContact O-N 2.7Å; I306-Y309 VanDerWaalsContact O-N 3.14Å; I306-V310 HydrophobicContact CG2-CG2 4.24Å; I306-V310 WeakPolarHBondContact O-CG2 3.45Å; I306-V310 PolarHBondContact O-N 3.23Å
307Y78.4Confident74.6Confident148 Ų148102.1 Ų102.158%0.5852%0.519SS*.Hα-helixtrans-61.4-43.6179.2-171.4-105.4000112.2F303 I304 Y309 V310 I311F303-Y307 VanDerWaalsContact O-CB 3.27Å; F303-Y307 WeakPolarHBondContact O-CB 3.43Å; F303-Y307 PolarHBondContact O-N 2.8Å; I304-Y307 PolarHBondContact O-N 3.02Å; Y307-Y309 VanDerWaalsContact C-N 3.33Å; Y307-Y309 PolarHBondContact O-N 2.9Å; Y307-V310 PolarHBondContact O-N 3.24Å; Y307-I311 HydrophobicContact CD1-CD1 3.64Å; Y307-I311 HydrophobicContact CE1-CD1 3.25Å; Y307-I311 HydrophobicContact CE1-CG1 4.3Å; Y307-I311 HydrophobicContact CG-CD1 4.44Å; Y307-I311 WeakPolarHBondContact O-CG1 3.5Å; Y307-I311 PolarHBondContact O-N 2.94Å
308L80.2Confident72.9Confident93 Ų93100.6 Ų100.649%0.48752%0.521SS..Hα-helixtrans-64-37.6173.8-73.1171.6000112.3I304 M305 I306 I311 S312I304-L308 HydrophobicContact CG2-CD1 3.93Å; I304-L308 HydrophobicContact CG2-CG 4.4Å; I304-L308 WeakPolarHBondContact O-CB 2.98Å; I304-L308 VanDerWaalsContact O-CG 3.28Å; I304-L308 WeakPolarHBondContact O-CG 3.41Å; I304-L308 PolarHBondContact O-N 3.07Å; M305-L308 HydrophobicContact CE-CD1 4.3Å; M305-L308 PolarHBondContact O-N 3.47Å; I306-L308 PolarHBondContact O-N 2.86Å; L308-I311 PolarHBondContact O-N 3.49Å; L308-S312 WeakPolarHBondContact O-CB 3.5Å; L308-S312 PolarHBondContact O-N 2.85Å
309Y81.1Confident71.3Confident152 Ų152104 Ų10460%0.59653%0.529SS*.Hα-helixtrans-66.6-43.8176.3-174.9-106.4000111.8M305 I306 Y307 I311 S312 L313M305-Y309 WeakPolarHBondContact O-CB 3.41Å; M305-Y309 PolarHBondContact O-N 3.01Å; I306-Y309 WeakPolarHBondContact O-CB 3.37Å; I306-Y309 PolarHBondContact O-N 2.7Å; I306-Y309 VanDerWaalsContact O-N 3.14Å; Y307-Y309 VanDerWaalsContact C-N 3.33Å; Y307-Y309 PolarHBondContact O-N 2.9Å; Y309-I311 PolarHBondContact O-N 2.92Å; Y309-S312 WeakPolarHBondContact O-CB 3.35Å; Y309-S312 PolarHBondContact O-N 3.25Å; Y309-L313 HydrophobicContact CD1-CD1 3.64Å; Y309-L313 HydrophobicContact CD1-CG 4.43Å; Y309-L313 HydrophobicContact CE1-CD1 3.27Å; Y309-L313 HydrophobicContact CE1-CG 4.08Å; Y309-L313 HydrophobicContact CG-CD1 4.49Å; Y309-L313 PolarHBondContact O-N 3.46Å
310V81.9Confident69.5Low80 Ų80104.5 Ų104.549%0.48553%0.532SS..Hα-helixtrans-62.7-41.9174.7173.10000111.1I306 Y307 S312 L313 H314I306-V310 HydrophobicContact CG2-CG2 4.24Å; I306-V310 WeakPolarHBondContact O-CG2 3.45Å; I306-V310 PolarHBondContact O-N 3.23Å; Y307-V310 PolarHBondContact O-N 3.24Å; V310-S312 VanDerWaalsContact C-N 3.34Å; V310-S312 PolarHBondContact O-N 2.84Å; V310-L313 PolarHBondContact O-N 2.82Å; V310-H314 WeakPolarHBondContact O-CB 3.38Å; V310-H314 PolarHBondContact O-N 2.02Å
311I78.9Confident67.7Low78 Ų78109.5 Ų109.540%0.455%0.55SS.*Hα-helixtrans-63-41.1173.6-71.3171.7000111.1Y307 L308 Y309 H314 R315Y307-I311 HydrophobicContact CD1-CD1 3.64Å; Y307-I311 HydrophobicContact CE1-CD1 3.25Å; Y307-I311 HydrophobicContact CE1-CG1 4.3Å; Y307-I311 HydrophobicContact CG-CD1 4.44Å; Y307-I311 WeakPolarHBondContact O-CG1 3.5Å; Y307-I311 PolarHBondContact O-N 2.94Å; L308-I311 PolarHBondContact O-N 3.49Å; Y309-I311 PolarHBondContact O-N 2.92Å; I311-H314 PolarHBondContact O-N 3.15Å; I311-R315 WeakPolarHBondContact O-CB 3.48Å; I311-R315 PolarHBondContact O-N 3.33Å
312S75.8Confident65.9Low65 Ų65108.9 Ų108.946%0.45555%0.551SS.*Hα-helixtrans-63.4-42.6176.8-173.70000112L308 Y309 V310 R315 S316L308-S312 WeakPolarHBondContact O-CB 3.5Å; L308-S312 PolarHBondContact O-N 2.85Å; Y309-S312 WeakPolarHBondContact O-CB 3.35Å; Y309-S312 PolarHBondContact O-N 3.25Å; V310-S312 VanDerWaalsContact C-N 3.34Å; V310-S312 PolarHBondContact O-N 2.84Å; S312-R315 PolarHBondContact O-N 3.31Å; S312-S316 WeakPolarHBondContact O-CB 3.22Å; S312-S316 PolarHBondContact O-N 3.45Å; S312-S316 PolarHBondContact O-OG 3.34Å
313L73.4Confident63.9Low86 Ų86115.8 Ų115.845%0.4557%0.57SS.*Hα-helixtrans-61.8-46.4173-81.9166.1000111.3Y309 V310 R315 S316 S317Y309-L313 HydrophobicContact CD1-CD1 3.64Å; Y309-L313 HydrophobicContact CD1-CG 4.43Å; Y309-L313 HydrophobicContact CE1-CD1 3.27Å; Y309-L313 HydrophobicContact CE1-CG 4.08Å; Y309-L313 HydrophobicContact CG-CD1 4.49Å; Y309-L313 PolarHBondContact O-N 3.46Å; V310-L313 PolarHBondContact O-N 2.82Å; L313-R315 VanDerWaalsContact C-N 3.29Å; L313-R315 PolarHBondContact O-N 3.12Å; L313-S316 CarbonylContact O-C 3.59Å; L313-S316 WeakPolarHBondContact O-CB 3.24Å; L313-S316 PolarHBondContact O-N 2.84Å; L313-S317 PolarHBondContact O-N 3.14Å
314H67.6Low62Low130 Ų130113.6 Ų113.660%0.60257%0.573SS**Hα-helixtrans-63.2-36177.7-161.7-47.1000111.9V310 I311 S316 C318V310-H314 WeakPolarHBondContact O-CB 3.38Å; V310-H314 PolarHBondContact O-N 2.02Å; I311-H314 PolarHBondContact O-N 3.15Å; H314-S316 VanDerWaalsContact C-N 3.31Å; H314-C318 PolarHBondContact O-N 3.21Å
315R61.3Low59.9Low193 Ų193115.6 Ų115.673%0.72858%0.583SS**Hα-helixtrans-70.8-28174.8-158.7174.6-166.41794.1112.6I311 S312 L313 K319I311-R315 WeakPolarHBondContact O-CB 3.48Å; I311-R315 PolarHBondContact O-N 3.33Å; S312-R315 PolarHBondContact O-N 3.31Å; L313-R315 VanDerWaalsContact C-N 3.29Å; L313-R315 PolarHBondContact O-N 3.12Å; R315-K319 PolarHBondContact O-N 2.93Å
316S58.2Low57.9Low65 Ų65115.6 Ų115.646%0.45559%0.59SS.*Hα-helixtrans-79-38.1175.7-56.60000111.4S312 L313 H314 K319 T320S312-S316 WeakPolarHBondContact O-CB 3.22Å; S312-S316 PolarHBondContact O-N 3.45Å; S312-S316 PolarHBondContact O-OG 3.34Å; L313-S316 CarbonylContact O-C 3.59Å; L313-S316 WeakPolarHBondContact O-CB 3.24Å; L313-S316 PolarHBondContact O-N 2.84Å; H314-S316 VanDerWaalsContact C-N 3.31Å; S316-K319 WeakPolarHBondContact O-CB 3.47Å; S316-K319 PolarHBondContact O-N 3.36Å; S316-K319 VanDerWaalsContact O-N 3.12Å; S316-T320 PolarHBondContact O-N 2.97Å; S316-T320 PolarHBondContact O-OG1 3.5Å
317S57.1Low55.5Low69 Ų69119.4 Ų119.448%0.48361%0.608SS.*Hα-helixtrans-64.8-34.9169.9-86.40000113.3L313 K319 T320 L321L313-S317 PolarHBondContact O-N 3.14Å; S317-K319 VanDerWaalsContact C-N 3.25Å; S317-K319 PolarHBondContact O-N 3.44Å; S317-T320 WeakPolarHBondContact CA-OG1 3.44Å; S317-T320 PolarHBondContact O-N 3.1Å; S317-T320 PolarHBondContact O-OG1 3.46Å; S317-L321 PolarHBondContact O-N 3.18Å; S317-L321 VanDerWaalsContact O-N 3.16Å
318C49.7Very low53.2Low72 Ų72121 Ų12149%0.48663%0.626SS.*Hα-helixtrans-68.1-24171.6-88.70000113.1H314H314-C318 PolarHBondContact O-N 3.21Å
319K48.2Very low50.8Low152 Ų152122.2 Ų122.266%0.66163%0.633SS**Hα-helixtrans-77.8-30.6173.5-79.9-174.4176.3-1750112.5R315 S316 S317 W323R315-K319 PolarHBondContact O-N 2.93Å; S316-K319 WeakPolarHBondContact O-CB 3.47Å; S316-K319 PolarHBondContact O-N 3.36Å; S316-K319 VanDerWaalsContact O-N 3.12Å; S317-K319 VanDerWaalsContact C-N 3.25Å; S317-K319 PolarHBondContact O-N 3.44Å; K319-W323 VanDerWaalsContact O-CD1 3.23Å
320T46.1Very low48.2Very low101 Ų101124.4 Ų124.462%0.6264%0.64SS**Hα-helixtrans-78.2-28.7176.540.60000113.2S316 S317 N322S316-T320 PolarHBondContact O-N 2.97Å; S316-T320 PolarHBondContact O-OG1 3.5Å; S317-T320 WeakPolarHBondContact CA-OG1 3.44Å; S317-T320 PolarHBondContact O-N 3.1Å; S317-T320 PolarHBondContact O-OG1 3.46Å; T320-N322 VanDerWaalsContact C-N 3.27Å; T320-N322 PolarHBondContact O-N 3.39Å
321L38.5Very low45.6Very low137 Ų137127.9 Ų127.972%0.71766%0.656SS**THydrogen-bonded Turntrans-76.5-7.3171.6-92.9141.8000114.6S317S317-L321 PolarHBondContact O-N 3.18Å; S317-L321 VanDerWaalsContact O-N 3.16Å
322N35.6Very low43.3Very low120 Ų120129.8 Ų129.864%0.64268%0.677SS**THydrogen-bonded Turntrans-97.212.8177.3-109.77.5000114.3T320T320-N322 VanDerWaalsContact C-N 3.27Å; T320-N322 PolarHBondContact O-N 3.39Å
323W33.3Very low40.9Very low220 Ų220132.1 Ų132.183%0.83369%0.691SS**THydrogen-bonded Turntrans-908.4175.7-83.485.8000114.8K319K319-W323 VanDerWaalsContact O-CD1 3.23Å
324S32.8Very low38.7Very low103 Ų103135.4 Ų135.472%0.7271%0.709SS**THydrogen-bonded Turntrans-117.914.1175.861.30000114.8
325L31Very low36.8Very low147 Ų147136.2 Ų136.277%0.7772%0.717SS**  trans-140.858.6177.2-100.1149.5000110.8
326T28.8Very low35.2Very low121 Ų121139.1 Ų139.174%0.74273%0.728SS**  trans-10179.1161.247.80000109.3
327M28Very low33.9Very low175 Ų175144.4 Ų144.486%0.86275%0.746SS**  trans-162.984.4153.1-96.1-146.7179.100108.3
328L30.1Very low32.6Very low181 Ų181145.6 Ų145.695%0.94875%0.754SS**  -175.2115.6129-97.1154.2000108.7
329D28.8Very low31.5Very low120 Ų120148.6 Ų148.664%0.64277%0.77SS**  trans-75.3160.1-174.6-167.114.8000111.6
330R26.7Very low30.6Very low197 Ų197150.4 Ų150.474%0.74378%0.778SS**  trans64106.2161-72.3162-151.2-1341.6119.2
331N28.4Very low29.9Very low154 Ų154154.8 Ų154.882%0.82479%0.789SS**  -179.1148.998.7-94.9-29000114
332S29.6Very low29.5Very low118 Ų118155.7 Ų155.783%0.82579%0.793SS**  trans87.483.116776.40000118.3
333C26.6Very low29.1Very low113 Ų113159.3 Ų159.376%0.76480%0.803SS**  trans-62160.3149.6-71.20000112.8
334L27.1Very low28.9Very low156 Ų156154.8 Ų154.882%0.81780%0.799SS**  trans73.291.7145.8-70.5146.7000118.4
335N27Very low28.7Very low146 Ų146154.4 Ų154.478%0.78180%0.797SS**  173.7112107.8-102.9-31.1000111.1
336R28.2Very low28.7Very low254 Ų254156.5 Ų156.596%0.95880%0.799SS**  trans-13198155.9-130.2178.2-167.4-175.84108.8
337Q30.8Very low28.7Very low176 Ų176159.9 Ų159.982%0.82280%0.804SS**  trans-63.4138.1171.4-77.3174.6-26.100111.1
338S29.2Very low29Very low94 Ų94158.7 Ų158.766%0.65780%0.799SS**  trans65.393.5139.2-163.90000118.6K340S338-K340 PolarHBondContact O-N 2.88Å
339T27.7Very low29.2Very low135 Ų135155.6 Ų155.683%0.82879%0.79SS**  trans-59.3102149.146.40000110.8K341T339-K341 PolarHBondContact O-N 2.89Å
340K28.9Very low29.3Very low190 Ų190161.6 Ų161.683%0.82680%0.804SS**  trans-77.198.3160.7-83-175.5177.4177.90109.2S338 I342S338-K340 PolarHBondContact O-N 2.88Å; K340-I342 PolarHBondContact O-N 3.49Å
341K30.2Very low29.7Very low193 Ų193159.5 Ų159.584%0.83981%0.806SS**  trans-64.8111.5161.5-80.3-178.7176.3177.40108.3T339 K343T339-K341 PolarHBondContact O-N 2.89Å; K341-K343 PolarHBondContact O-N 2.62Å
342I29.8Very low29.9Very low156 Ų156156.3 Ų156.380%0.880%0.8SS**  trans-71.1106.6168.4-65.1172.6000107.1K340 V344K340-I342 PolarHBondContact O-N 3.49Å; I342-V344 HydrophobicContact CG2-CG2 4.33Å; I342-V344 PolarHBondContact O-N 3.22Å
343K28Very low30Very low197 Ų197159.4 Ų159.486%0.85780%0.801SS**  trans-85.5102.8175.5-149.1176.6-171.2-179.50107.2K341 S345K341-K343 PolarHBondContact O-N 2.62Å; K343-S345 PolarHBondContact O-N 3.48Å
344V29.8Very low30.5Very low124 Ų124163.1 Ų163.175%0.75281%0.808SS**  trans-77.798171.11790000107.7I342I342-V344 HydrophobicContact CG2-CG2 4.33Å; I342-V344 PolarHBondContact O-N 3.22Å
345S28.9Very low30.7Very low96 Ų96164.8 Ų164.867%0.67181%0.811SS**  trans-95.9100.2169.1-176.20000108.4K343 K347K343-S345 PolarHBondContact O-N 3.48Å; S345-K347 PolarHBondContact O-N 2.93Å
346K29.8Very low31.2Very low191 Ų191169.5 Ų169.583%0.8384%0.835SS**  trans-83.798.5160.8-87.5-174.4174.9-178.20107.5I348K346-I348 PolarHBondContact O-N 3.34Å
347K29.5Very low31.4Very low192 Ų192165.3 Ų165.384%0.83583%0.829SS**  trans-75.5113.3161.4-95.7-176.9173.6-1770108S345S345-K347 PolarHBondContact O-N 2.93Å
348I34.4Very low31.4Very low150 Ų150164.7 Ų164.777%0.76983%0.829SS**PPolyproline II helixtrans-79.3126.9161.6-63.2167.3000106.1K346 R350K346-I348 PolarHBondContact O-N 3.34Å; I348-R350 PolarHBondContact O-N 3.06Å
349P33.9Very low31.6Very low115 Ų115168.7 Ų168.775%0.74784%0.839SS**PPolyproline II helixtrans-66.8125172.925.3-29000109.5I351P349-I351 PolarHBondContact O-N 3.4Å
350R31.6Very low31.8Very low246 Ų246170.6 Ų170.693%0.92884%0.84SS**PPolyproline II helixtrans-66.9126.5167.2-80.5-177.7179.6177.2-1.8108.2I348 A352I348-R350 PolarHBondContact O-N 3.06Å; R350-A352 PolarHBondContact O-N 3.28Å
351I34.2Very low32Very low154 Ų154169.4 Ų169.479%0.7984%0.841SS**PPolyproline II helixtrans-64.6117.1162.2-65.6164.4000106.1P349 H353P349-I351 PolarHBondContact O-N 3.4Å; I351-H353 PolarHBondContact O-N 3.13Å
352A33.2Very low32.1Very low86 Ų86167.9 Ų167.971%0.71184%0.841SS**PPolyproline II helixtrans-72.2119.5168.800000107.6R350 Q354R350-A352 PolarHBondContact O-N 3.28Å; A352-Q354 PolarHBondContact O-N 3.25Å
353H31.7Very low32.2Very low183 Ų183168.7 Ų168.785%0.84784%0.844SS**  trans-65.3113.7155.6-84.3-87.7000107I351I351-H353 PolarHBondContact O-N 3.13Å
354Q35.8Very low32.6Very low192 Ų192166.5 Ų166.590%0.89784%0.843SS**  trans-86.7118.3154.7-102.3175.5-42.900106.8A352A352-Q354 PolarHBondContact O-N 3.25Å
355E32.8Very low32.8Very low191 Ų191170.1 Ų170.189%0.89385%0.85SS**  trans-59.7136.5165.3-64.8173.5144.500109.8
356L37.9Very low33.2Very low245 Ų245176.8 Ų176.8100%1.28387%0.866SS**  trans-144.20154.1-114.8159.7000107.2

Retrieved 356 of 356 residues in 150.1 ms (Link to these results)

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