A0A087Y930_POEFO Loading...

Epithelial membrane protein 3 (MAM blood group)

AlphaFold DB , UniProt , Accession A0A087Y930, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 165 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
1M72.5Confident87.6Confident132 Ų13271 Ų7165%0.6542%0.416SS*.  0-51.70-171.1171.572.700111.9C3 L4 L5 K164M1-C3 PolarHBondContact O-N 3.46Å; M1-L4 PolarHBondContact O-N 2.83Å; M1-L5 PolarHBondContact O-N 3.35Å; M1-K164 HydrophobicContact CE-CB 4.21Å; M1-K164 WeakPolarHBondContact CE-O 2.79Å; M1-K164 HydrophobicContact SD-CB 3.35Å; M1-K164 WeakPolarHBondContact SD-CB 3.28Å; M1-K164 VanDerWaalsContact SD-O 3.35Å
2V79.6Confident88.4Confident105 Ų10565.1 Ų65.164%0.63638%0.382SS*.Hα-helixtrans-58.3-45.3174.4179.70000112L4 L5 V6V2-L4 VanDerWaalsContact C-N 3.34Å; V2-L4 PolarHBondContact O-N 3.5Å; V2-L5 WeakPolarHBondContact O-CB 3.35Å; V2-L5 PolarHBondContact O-N 3.29Å; V2-L5 VanDerWaalsContact O-N 3.12Å; V2-V6 HydrophobicContact CG1-CG2 4.19Å; V2-V6 WeakPolarHBondContact O-CG2 3.41Å; V2-V6 PolarHBondContact O-N 3.48Å
3C83.7Confident89.1Confident102 Ų10266.8 Ų66.869%0.68939%0.388SS*.Hα-helixtrans-56.7-45.8176.9-55.40000112.5M1 L5 V6 S7M1-C3 PolarHBondContact O-N 3.46Å; C3-L5 VanDerWaalsContact C-N 3.32Å; C3-L5 PolarHBondContact O-N 3.06Å; C3-V6 PolarHBondContact O-N 3.27Å; C3-S7 WeakPolarHBondContact O-CB 3.34Å; C3-S7 PolarHBondContact O-N 3.38Å; C3-S7 PolarHBondContact O-OG 3.22Å
4L85.5Confident89.7Confident87 Ų8767.1 Ų67.146%0.45539%0.39SS..Hα-helixtrans-61.1-42177.1-174.474000111.6M1 V2 S7 V8 L161M1-L4 PolarHBondContact O-N 2.83Å; V2-L4 VanDerWaalsContact C-N 3.34Å; V2-L4 PolarHBondContact O-N 3.5Å; L4-S7 PolarHBondContact O-N 3.2Å; L4-V8 WeakPolarHBondContact O-CG2 3.44Å; L4-V8 PolarHBondContact O-N 3.4Å; L4-L161 HydrophobicContact CD2-CD2 3.34Å; L4-L161 HydrophobicContact CD2-CG 4.48Å; L4-L161 HydrophobicContact CG-CD2 3.89Å
5L86.1Confident90.2Very high49 Ų4962.6 Ų62.626%0.25736%0.364SS..Hα-helixtrans-64.8-43.9178-169.970.8000112M1 V2 C3 V8 T9 F84 L88M1-L5 PolarHBondContact O-N 3.35Å; V2-L5 WeakPolarHBondContact O-CB 3.35Å; V2-L5 PolarHBondContact O-N 3.29Å; V2-L5 VanDerWaalsContact O-N 3.12Å; C3-L5 VanDerWaalsContact C-N 3.32Å; C3-L5 PolarHBondContact O-N 3.06Å; L5-V8 PolarHBondContact O-N 3.44Å; L5-T9 WeakPolarHBondContact O-CB 3.45Å; L5-T9 PolarHBondContact O-N 3.21Å; L5-T9 PolarHBondContact O-OG1 2.89Å; L5-F84 HydrophobicContact CD1-CE2 3.91Å; L5-F84 HydrophobicContact CD1-CZ 3.6Å; L5-F84 HydrophobicContact CG-CZ 4.32Å; L5-L88 HydrophobicContact CD1-CD2 4.09Å; L5-L88 HydrophobicContact CD2-CD2 3.85Å; L5-L88 HydrophobicContact CG-CD2 4.46Å
6V88.9Confident90.7Very high78 Ų7859.8 Ų59.847%0.47335%0.348SS..Hα-helixtrans-62.8-47.3175.5172.50000109.9V2 C3 V8 T9 V10V2-V6 HydrophobicContact CG1-CG2 4.19Å; V2-V6 WeakPolarHBondContact O-CG2 3.41Å; V2-V6 PolarHBondContact O-N 3.48Å; C3-V6 PolarHBondContact O-N 3.27Å; V6-V8 PolarHBondContact O-N 3.16Å; V6-T9 WeakPolarHBondContact O-CB 3.25Å; V6-T9 PolarHBondContact O-N 2.86Å; V6-V10 HydrophobicContact CG1-CG2 4.29Å; V6-V10 WeakPolarHBondContact O-CG2 3.04Å; V6-V10 PolarHBondContact O-N 2.89Å
7S91.3Very high91.1Very high74 Ų7459.1 Ų59.152%0.51735%0.35SS..Hα-helixtrans-58.9-43.6178-63.70000112.5C3 L4 V10 L11C3-S7 WeakPolarHBondContact O-CB 3.34Å; C3-S7 PolarHBondContact O-N 3.38Å; C3-S7 PolarHBondContact O-OG 3.22Å; L4-S7 PolarHBondContact O-N 3.2Å; S7-V10 PolarHBondContact O-N 2.9Å; S7-L11 VanDerWaalsContact O-CB 3.25Å; S7-L11 WeakPolarHBondContact O-CB 3.38Å; S7-L11 PolarHBondContact O-N 2.84Å
8V92.6Very high91.5Very high2 Ų257.4 Ų57.41%0.01234%0.339CS..Hα-helixtrans-68.3-38.5177169.20000111.7L4 L5 V6 L11 H12 L157 Y158 L161L4-V8 WeakPolarHBondContact O-CG2 3.44Å; L4-V8 PolarHBondContact O-N 3.4Å; L5-V8 PolarHBondContact O-N 3.44Å; V6-V8 PolarHBondContact O-N 3.16Å; V8-L11 PolarHBondContact O-N 3.31Å; V8-H12 WeakPolarHBondContact O-CB 3.41Å; V8-H12 PolarHBondContact O-N 3.42Å; V8-L157 HydrophobicContact CG2-CB 3.99Å; V8-L157 HydrophobicContact CG2-CD1 3.92Å; V8-Y158 HydrophobicContact CG1-CD1 3.88Å; V8-Y158 HydrophobicContact CG1-CD2 4.44Å; V8-Y158 HydrophobicContact CG1-CE1 3.32Å; V8-Y158 HydrophobicContact CG1-CE2 3.99Å; V8-Y158 HydrophobicContact CG1-CG 4.39Å; V8-Y158 VanDerWaalsContact CG1-CZ 3.4Å; V8-L161 HydrophobicContact CB-CD1 4.13Å; V8-L161 HydrophobicContact CG1-CD1 3.99Å; V8-L161 HydrophobicContact CG2-CD1 3.99Å
9T92.3Very high91.8Very high34 Ų3454.4 Ų54.421%0.20932%0.321CS..Hα-helixtrans-61.3-48.1174.5-52.10000111.3L5 V6 H12 L13 F84L5-T9 WeakPolarHBondContact O-CB 3.45Å; L5-T9 PolarHBondContact O-N 3.21Å; L5-T9 PolarHBondContact O-OG1 2.89Å; V6-T9 WeakPolarHBondContact O-CB 3.25Å; V6-T9 PolarHBondContact O-N 2.86Å; T9-H12 PolarHBondContact O-N 3.12Å; T9-L13 HydrophobicContact CG2-CD1 4.27Å; T9-L13 WeakPolarHBondContact O-CG 3.22Å; T9-L13 PolarHBondContact O-N 3.29Å; T9-F84 HydrophobicContact CG2-CE1 4.34Å; T9-F84 WeakPolarHBondContact OG1-CE1 3.44Å
10V95.4Very high92Very high78 Ų7856 Ų5647%0.47332%0.324SS..Hα-helixtrans-62.8-46.1178.1171.90000110.4V6 S7 H12 L13 V14V6-V10 HydrophobicContact CG1-CG2 4.29Å; V6-V10 WeakPolarHBondContact O-CG2 3.04Å; V6-V10 PolarHBondContact O-N 2.89Å; S7-V10 PolarHBondContact O-N 2.9Å; V10-H12 VanDerWaalsContact C-N 3.29Å; V10-H12 PolarHBondContact O-N 2.68Å; V10-L13 PolarHBondContact O-N 3Å; V10-V14 HydrophobicContact CG1-CG2 4.21Å; V10-V14 VanDerWaalsContact O-CG2 3.3Å; V10-V14 WeakPolarHBondContact O-CG2 2.93Å; V10-V14 PolarHBondContact O-N 3.42Å
11L96Very high92.3Very high40 Ų4056.6 Ų56.621%0.20933%0.325CS..Hα-helixtrans-54.6-46.2175.8177.663.3000111.2S7 V8 V14 S15 L150 L157S7-L11 VanDerWaalsContact O-CB 3.25Å; S7-L11 WeakPolarHBondContact O-CB 3.38Å; S7-L11 PolarHBondContact O-N 2.84Å; V8-L11 PolarHBondContact O-N 3.31Å; L11-V14 PolarHBondContact O-N 2.87Å; L11-S15 WeakPolarHBondContact O-CB 3.42Å; L11-S15 PolarHBondContact O-N 2.87Å; L11-S15 PolarHBondContact O-OG 3.32Å; L11-L150 HydrophobicContact CD1-CB 4.15Å; L11-L150 HydrophobicContact CD1-CD2 3.76Å; L11-L150 HydrophobicContact CD1-CG 4.44Å; L11-L157 HydrophobicContact CD2-CD1 4.25Å
12H96.8Very high93.4Very high0 Ų050.3 Ų50.30%029%0.294CS..Hα-helixtrans-61.8-50.1177.2-165154.9000111.7V8 T9 V10 V14 S15 L16 S77 S80 L81 Q104 Y158V8-H12 WeakPolarHBondContact O-CB 3.41Å; V8-H12 PolarHBondContact O-N 3.42Å; T9-H12 PolarHBondContact O-N 3.12Å; V10-H12 VanDerWaalsContact C-N 3.29Å; V10-H12 PolarHBondContact O-N 2.68Å; H12-V14 VanDerWaalsContact C-N 3.3Å; H12-V14 PolarHBondContact O-N 2.94Å; H12-S15 PolarHBondContact O-N 3.01Å; H12-L16 WeakPolarHBondContact O-CB 3.21Å; H12-L16 PolarHBondContact O-N 2.89Å; H12-S77 PolarHBondContact NE2-O 3.29Å; H12-S77 PolarHBondContact NE2-OG 3.3Å; H12-S77 VanDerWaalsContact NE2-OG 3.08Å; H12-S80 PolarHBondContact CE1-OG 2.61Å; H12-S80 VanDerWaalsContact CE1-OG 3.32Å; H12-L81 PolarHBondContact CE1-N 2.96Å; H12-L81 VanDerWaalsContact CE1-N 3.27Å; H12-Q104 PolarHBondContact CD2-NE2 3.44Å; H12-Q104 PolarHBondContact CE1-OE1 3.35Å; H12-Q104 PolarHBondContact NE2-NE2 3.48Å; H12-Q104 PolarHBondContact NE2-OE1 2.98Å; H12-Q104 VanDerWaalsContact NE2-OE1 3.08Å; H12-Y158 WeakPolarHBondContact CB-OH 3.37Å; H12-Y158 AromaticContact ND1-CE2 3.49Å; H12-Y158 WeakPolarHBondContact ND1-CE2 3.48Å; H12-Y158 AromaticContact ND1-CZ 3.53Å; H12-Y158 PolarHBondContact ND1-OH 3.22Å
13L97.5Very high94.1Very high88 Ų8845.7 Ų45.746%0.46127%0.266SS..Hα-helixtrans-59.5-41.2-179.8-69.5173.7000112.2T9 V10 L16 A17 L81T9-L13 HydrophobicContact CG2-CD1 4.27Å; T9-L13 WeakPolarHBondContact O-CG 3.22Å; T9-L13 PolarHBondContact O-N 3.29Å; V10-L13 PolarHBondContact O-N 3Å; L13-L16 PolarHBondContact O-N 3.36Å; L13-A17 WeakPolarHBondContact O-CB 3.45Å; L13-A17 PolarHBondContact O-N 3.47Å; L13-L81 HydrophobicContact CD2-CD1 4.31Å; L13-L81 HydrophobicContact CD2-CD2 3.79Å
14V97.8Very high94.5Very high70 Ų7045.8 Ų45.842%0.42426%0.259SS..Hα-helixtrans-64.4-48.6176.4174.70000110.5V10 L11 H12 L16 A17 M18V10-V14 HydrophobicContact CG1-CG2 4.21Å; V10-V14 VanDerWaalsContact O-CG2 3.3Å; V10-V14 WeakPolarHBondContact O-CG2 2.93Å; V10-V14 PolarHBondContact O-N 3.42Å; L11-V14 PolarHBondContact O-N 2.87Å; H12-V14 VanDerWaalsContact C-N 3.3Å; H12-V14 PolarHBondContact O-N 2.94Å; V14-L16 VanDerWaalsContact C-N 3.33Å; V14-L16 PolarHBondContact O-N 3.47Å; V14-A17 PolarHBondContact O-N 2.72Å; V14-M18 HydrophobicContact CG1-CE 3.75Å; V14-M18 HydrophobicContact CG1-SD 4.25Å; V14-M18 WeakPolarHBondContact O-CG 3.45Å; V14-M18 PolarHBondContact O-N 2.95Å
15S97.6Very high94.6Very high0 Ų046.6 Ų46.60%026%0.261CS..Hα-helixtrans-59.2-41.9176.4-60.30000112.7L11 H12 M18 L19 L150L11-S15 WeakPolarHBondContact O-CB 3.42Å; L11-S15 PolarHBondContact O-N 2.87Å; L11-S15 PolarHBondContact O-OG 3.32Å; H12-S15 PolarHBondContact O-N 3.01Å; S15-M18 PolarHBondContact O-N 3.42Å; S15-L19 WeakPolarHBondContact O-CG 3.13Å; S15-L19 PolarHBondContact O-N 3.25Å; S15-L150 VanDerWaalsContact OG-CB 3.3Å; S15-L150 WeakPolarHBondContact OG-CB 3.49Å
16L97.9Very high94.4Very high18 Ų1848.3 Ų48.39%0.09427%0.266CS..Hα-helixtrans-66.3-43.3178.6-178.360000111.5H12 L13 V14 M18 L19 F20 L81H12-L16 WeakPolarHBondContact O-CB 3.21Å; H12-L16 PolarHBondContact O-N 2.89Å; L13-L16 PolarHBondContact O-N 3.36Å; V14-L16 VanDerWaalsContact C-N 3.33Å; V14-L16 PolarHBondContact O-N 3.47Å; L16-M18 VanDerWaalsContact C-N 3.35Å; L16-M18 PolarHBondContact O-N 2.88Å; L16-L19 PolarHBondContact O-N 3.36Å; L16-F20 HydrophobicContact CD1-CD2 3.93Å; L16-F20 HydrophobicContact CD1-CE2 3.73Å; L16-F20 HydrophobicContact CD2-CE2 4.46Å; L16-F20 HydrophobicContact CG-CD2 3.98Å; L16-F20 HydrophobicContact CG-CE2 3.95Å; L16-F20 WeakPolarHBondContact O-CD2 3.25Å; L16-F20 PolarHBondContact O-N 2.93Å; L16-L81 HydrophobicContact CD2-CD2 3.79Å
17A97.9Very high94.3Very high48 Ų4845.4 Ų45.440%0.39725%0.249SC..Hα-helixtrans-61.4-43.9175.500000111.5L13 V14 L19 F20 I21L13-A17 WeakPolarHBondContact O-CB 3.45Å; L13-A17 PolarHBondContact O-N 3.47Å; V14-A17 PolarHBondContact O-N 2.72Å; A17-L19 PolarHBondContact O-N 3.46Å; A17-F20 PolarHBondContact O-N 3.25Å; A17-I21 VanDerWaalsContact O-CG1 3.26Å; A17-I21 WeakPolarHBondContact O-CG1 3.42Å; A17-I21 PolarHBondContact O-N 3.13Å
18M97.1Very high94.1Very high28 Ų2841.9 Ų41.914%0.13823%0.225CC..Hα-helixtrans-63.6-39.2176.1-70.8-172.6-60.800112.4V14 S15 L16 I21 A22 L143 C147 L150V14-M18 HydrophobicContact CG1-CE 3.75Å; V14-M18 HydrophobicContact CG1-SD 4.25Å; V14-M18 WeakPolarHBondContact O-CG 3.45Å; V14-M18 PolarHBondContact O-N 2.95Å; S15-M18 PolarHBondContact O-N 3.42Å; L16-M18 VanDerWaalsContact C-N 3.35Å; L16-M18 PolarHBondContact O-N 2.88Å; M18-I21 PolarHBondContact O-N 3.33Å; M18-A22 VanDerWaalsContact O-CB 3.26Å; M18-A22 WeakPolarHBondContact O-CB 3.46Å; M18-A22 PolarHBondContact O-N 3.39Å; M18-L143 HydrophobicContact CB-CD2 3.82Å; M18-L143 HydrophobicContact CG-CD2 3.5Å; M18-L143 HydrophobicContact SD-CD2 3.65Å; M18-C147 WeakPolarHBondContact CB-SG 3.46Å; M18-L150 HydrophobicContact CE-CD1 3.3Å
19L97.6Very high93.7Very high0 Ų042.1 Ų42.10%023%0.225CC..Hα-helixtrans-62.2-43.2172.6-80.9176.3000112.3S15 L16 A17 A22 T23 M70 S73 V74 D111 C147 L151S15-L19 WeakPolarHBondContact O-CG 3.13Å; S15-L19 PolarHBondContact O-N 3.25Å; L16-L19 PolarHBondContact O-N 3.36Å; A17-L19 PolarHBondContact O-N 3.46Å; L19-A22 PolarHBondContact O-N 3.41Å; L19-T23 VanDerWaalsContact O-CB 3.32Å; L19-T23 WeakPolarHBondContact O-CB 3.48Å; L19-T23 PolarHBondContact O-N 2.89Å; L19-T23 PolarHBondContact O-OG1 3.4Å; L19-M70 HydrophobicContact CD2-CE 4.33Å; L19-S73 WeakPolarHBondContact CD1-OG 3.49Å; L19-S73 WeakPolarHBondContact CD2-OG 3.44Å; L19-V74 HydrophobicContact CB-CG2 4.04Å; L19-D111 HydrophobicContact CD2-CB 4.19Å; L19-C147 HydrophobicContact CD2-CB 4.15Å; L19-C147 HydrophobicContact CG-CB 4.36Å; L19-L151 HydrophobicContact CD1-CD1 3.79Å; L19-L151 HydrophobicContact CD1-CD2 3.95Å; L19-L151 HydrophobicContact CD1-CG 4.47Å; L19-L151 HydrophobicContact CD2-CD1 4.11Å; L19-L151 HydrophobicContact CG-CD1 4.14Å
20F96.9Very high93.2Very high86 Ų8642.2 Ų42.238%0.37723%0.226SC..Hα-helixtrans-62.3-46.7175.9-92.2-70.8000111.6L16 A17 T23 L24 V74L16-F20 HydrophobicContact CD1-CD2 3.93Å; L16-F20 HydrophobicContact CD1-CE2 3.73Å; L16-F20 HydrophobicContact CD2-CE2 4.46Å; L16-F20 HydrophobicContact CG-CD2 3.98Å; L16-F20 HydrophobicContact CG-CE2 3.95Å; L16-F20 WeakPolarHBondContact O-CD2 3.25Å; L16-F20 PolarHBondContact O-N 2.93Å; A17-F20 PolarHBondContact O-N 3.25Å; F20-T23 PolarHBondContact O-N 2.74Å; F20-T23 VanDerWaalsContact O-N 3.16Å; F20-L24 HydrophobicContact CD1-CD1 3.99Å; F20-L24 WeakPolarHBondContact O-CB 3.07Å; F20-L24 WeakPolarHBondContact O-CG 3.39Å; F20-L24 PolarHBondContact O-N 3.44Å; F20-V74 HydrophobicContact CD1-CG1 4.17Å; F20-V74 HydrophobicContact CD2-CG1 4.31Å; F20-V74 HydrophobicContact CE1-CG1 3.63Å; F20-V74 HydrophobicContact CE2-CG1 3.79Å; F20-V74 HydrophobicContact CG-CG1 4.48Å; F20-V74 HydrophobicContact CZ-CG1 3.42Å; F20-V74 VanDerWaalsContact CZ-CG1 3.42Å
21I96.5Very high92Very high70 Ų7039.5 Ų39.536%0.35921%0.207SC..Hα-helixtrans-59.5-51.5176.5-68165.4000109.4A17 M18 T23 L24 E25 F139 L143A17-I21 VanDerWaalsContact O-CG1 3.26Å; A17-I21 WeakPolarHBondContact O-CG1 3.42Å; A17-I21 PolarHBondContact O-N 3.13Å; M18-I21 PolarHBondContact O-N 3.33Å; I21-T23 PolarHBondContact O-N 3.3Å; I21-L24 PolarHBondContact O-N 2.94Å; I21-E25 HydrophobicContact CG2-CB 4.31Å; I21-E25 HydrophobicContact CG2-CG 3.96Å; I21-E25 VanDerWaalsContact O-CB 3.3Å; I21-E25 WeakPolarHBondContact O-CB 3.33Å; I21-E25 PolarHBondContact O-N 3.17Å; I21-F139 HydrophobicContact CG2-CE2 3.96Å; I21-L143 HydrophobicContact CB-CD1 4.48Å; I21-L143 HydrophobicContact CG2-CD1 3.69Å
22A95.6Very high90.7Very high0 Ų041.1 Ų41.10%022%0.219CC..Hα-helixtrans-61.3-28.2178.200000112.4M18 L19 W28 M70 L143 A144M18-A22 VanDerWaalsContact O-CB 3.26Å; M18-A22 WeakPolarHBondContact O-CB 3.46Å; M18-A22 PolarHBondContact O-N 3.39Å; L19-A22 PolarHBondContact O-N 3.41Å; A22-W28 PolarHBondContact O-NE1 2.91Å; A22-M70 HydrophobicContact CB-CE 4.11Å; A22-L143 HydrophobicContact CB-CB 4.29Å; A22-A144 HydrophobicContact CB-CB 4.17Å
23T94.5Very high89Confident7 Ų749.4 Ų49.44%0.04326%0.258CS..Hα-helixtrans-84.5-29.1179.7-54.10000112.8L19 F20 I21 W40 M70L19-T23 VanDerWaalsContact O-CB 3.32Å; L19-T23 WeakPolarHBondContact O-CB 3.48Å; L19-T23 PolarHBondContact O-N 2.89Å; L19-T23 PolarHBondContact O-OG1 3.4Å; F20-T23 PolarHBondContact O-N 2.74Å; F20-T23 VanDerWaalsContact O-N 3.16Å; I21-T23 PolarHBondContact O-N 3.3Å; T23-W40 HydrophobicContact CG2-CZ2 4.45Å; T23-W40 PolarHBondContact O-NE1 3.26Å; T23-M70 HydrophobicContact CG2-CB 4.12Å; T23-M70 WeakPolarHBondContact OG1-CE 3.38Å
24L92Very high87.4Confident104 Ų10448.9 Ų48.955%0.54526%0.258SS..Hα-helixtrans-109.7-27.7-168.7-61.9177.8000114.5F20 I21F20-L24 HydrophobicContact CD1-CD1 3.99Å; F20-L24 WeakPolarHBondContact O-CB 3.07Å; F20-L24 WeakPolarHBondContact O-CG 3.39Å; F20-L24 PolarHBondContact O-N 3.44Å; I21-L24 PolarHBondContact O-N 2.94Å
25E88.3Confident86Confident104 Ų10448.1 Ų48.149%0.48625%0.25SC..SBendtrans-81.7145.3-177.8-76.9-61.8154.400112.7I21 S27 F139 C140I21-E25 HydrophobicContact CG2-CB 4.31Å; I21-E25 HydrophobicContact CG2-CG 3.96Å; I21-E25 VanDerWaalsContact O-CB 3.3Å; I21-E25 WeakPolarHBondContact O-CB 3.33Å; I21-E25 PolarHBondContact O-N 3.17Å; E25-S27 PolarHBondContact O-N 2.87Å; E25-F139 HydrophobicContact CB-CZ 4.17Å; E25-C140 PolarHBondContact O-SG 3.28Å
26K81.8Confident84.7Confident86 Ų8650 Ų5037%0.37426%0.26SS..SBendtrans-88.472.8-172.1-55.4179.7-171.962.40111.8I36 D38 H41K26-I36 VanDerWaalsContact O-CG2 3.32Å; K26-I36 WeakPolarHBondContact O-CG2 3.3Å; K26-D38 VanDerWaalsContact CA-CG 3.43Å; K26-D38 WeakPolarHBondContact CA-OD2 3.32Å; K26-D38 HydrophobicContact CB-CB 4.16Å; K26-D38 HydrophobicContact CG-CB 4.41Å; K26-D38 WeakPolarHBondContact CG-OD2 3.4Å; K26-H41 HydrophobicContact CD-CB 4.35Å
27S86.3Confident83.5Confident16 Ų1650.1 Ų50.111%0.11226%0.261CS..  trans-160.147179.9-156.30000113.7E25 G138 F139 C140E25-S27 PolarHBondContact O-N 2.87Å; S27-G138 CarbonylContact O-C 3.43Å; S27-G138 WeakPolarHBondContact O-CA 3.35Å; S27-F139 PolarHBondContact O-N 2.91Å; S27-F139 VanDerWaalsContact OG-CD1 3.26Å; S27-F139 WeakPolarHBondContact OG-CD1 3.01Å; S27-C140 VanDerWaalsContact O-CB 3.3Å; S27-C140 WeakPolarHBondContact O-CB 3.12Å; S27-C140 PolarHBondContact O-N 3.26Å
28W87.3Confident82.6Confident1 Ų148.1 Ų48.10%0.00424%0.244CC..SBendtrans-78.5-42170.4-86.165.5000112.4A22 L39 V66 M70 F118 G138 C140 V141 A144A22-W28 PolarHBondContact O-NE1 2.91Å; W28-L39 HydrophobicContact CB-CD1 4.22Å; W28-L39 VanDerWaalsContact CD1-CD1 3.49Å; W28-L39 HydrophobicContact CD2-CD1 3.08Å; W28-L39 HydrophobicContact CE3-CD1 3.56Å; W28-L39 HydrophobicContact CG-CD1 3.37Å; W28-L39 HydrophobicContact CH2-CD1 4.03Å; W28-L39 HydrophobicContact CZ2-CD1 3.63Å; W28-L39 HydrophobicContact CZ2-CD2 4.4Å; W28-L39 HydrophobicContact CZ3-CD1 4Å; W28-V66 HydrophobicContact CH2-CG1 3.95Å; W28-V66 HydrophobicContact CZ3-CG1 3.8Å; W28-M70 HydrophobicContact CH2-CE 4.36Å; W28-M70 HydrophobicContact CH2-CG 3.94Å; W28-M70 HydrophobicContact CH2-SD 3.68Å; W28-M70 HydrophobicContact CZ2-CE 3.87Å; W28-M70 HydrophobicContact CZ2-CG 3.95Å; W28-M70 HydrophobicContact CZ2-SD 3.78Å; W28-F118 HydrophobicContact CB-CE1 4.46Å; W28-F118 HydrophobicContact CB-CE2 4.16Å; W28-F118 HydrophobicContact CB-CZ 3.81Å; W28-F118 HydrophobicContact CD2-CE2 4.4Å; W28-F118 HydrophobicContact CE3-CB 4.23Å; W28-F118 AromaticContact CE3-CD1 3.74Å; W28-F118 HydrophobicContact CE3-CD1 3.74Å; W28-F118 AromaticContact CE3-CD2 3.43Å; W28-F118 HydrophobicContact CE3-CD2 3.43Å; W28-F118 VanDerWaalsContact CE3-CD2 3.43Å; W28-F118 AromaticContact CE3-CE1 3.9Å; W28-F118 HydrophobicContact CE3-CE1 3.9Å; W28-F118 AromaticContact CE3-CE2 3.6Å; W28-F118 HydrophobicContact CE3-CE2 3.6Å; W28-F118 AromaticContact CE3-CG 3.51Å; W28-F118 HydrophobicContact CE3-CG 3.51Å; W28-F118 AromaticContact CE3-CZ 3.84Å; W28-F118 HydrophobicContact CE3-CZ 3.84Å; W28-F118 HydrophobicContact CZ3-CB 3.8Å; W28-F118 HydrophobicContact CZ3-CD1 4.11Å; W28-F118 AromaticContact CZ3-CD2 3.77Å; W28-F118 HydrophobicContact CZ3-CD2 3.77Å; W28-F118 HydrophobicContact CZ3-CE2 4.4Å; W28-F118 AromaticContact CZ3-CG 3.61Å; W28-F118 HydrophobicContact CZ3-CG 3.61Å; W28-G138 PolarHBondContact O-N 3.06Å; W28-C140 HydrophobicContact CG-CB 4.13Å; W28-V141 HydrophobicContact CB-CG2 4.07Å; W28-V141 HydrophobicContact CD2-CG2 3.7Å; W28-V141 HydrophobicContact CE3-CG2 3.41Å; W28-V141 VanDerWaalsContact CE3-CG2 3.41Å; W28-V141 HydrophobicContact CG-CG2 4.04Å; W28-V141 HydrophobicContact CZ3-CG2 4.14Å; W28-V141 WeakPolarHBondContact O-CG2 3.36Å; W28-A144 HydrophobicContact CH2-CB 4.47Å; W28-A144 HydrophobicContact CZ2-CB 4.43Å
29W84.8Confident81.8Confident6 Ų646.8 Ų46.82%0.02324%0.237CC..EExtended strand (participates in β ladder)trans-139.5130.7177.2-175.2-83.4000110.4W31 T37 F118 R122 I125 L126 F137W29-W31 AromaticContact CD1-CD1 3.58Å; W29-W31 AromaticContact CD1-CE2 3.84Å; W29-W31 AromaticContact CD1-NE1 3.37Å; W29-W31 AromaticContact NE1-CD1 3.73Å; W29-W31 AromaticContact NE1-CD2 3.71Å; W29-W31 AromaticContact NE1-CE2 3.21Å; W29-W31 AromaticContact NE1-CG 3.99Å; W29-W31 AromaticContact NE1-CZ2 3.55Å; W29-W31 AromaticContact NE1-NE1 3.26Å; W29-T37 VanDerWaalsContact CB-OG1 3.27Å; W29-T37 WeakPolarHBondContact CB-OG1 3.28Å; W29-T37 PolarHBondContact N-O 3.21Å; W29-T37 PolarHBondContact O-N 3.34Å; W29-T37 PolarHBondContact O-OG1 3.47Å; W29-F118 HydrophobicContact CB-CZ 4.14Å; W29-F118 HydrophobicContact CE3-CE1 4.45Å; W29-R122 HydrophobicContact CH2-CG 3.55Å; W29-R122 HydrophobicContact CZ3-CG 3.6Å; W29-I125 HydrophobicContact CD2-CG2 4.49Å; W29-I125 HydrophobicContact CG-CG2 4.45Å; W29-L126 HydrophobicContact CH2-CD1 3.67Å; W29-L126 HydrophobicContact CZ2-CD1 3.29Å; W29-F137 AromaticContact CE3-CD1 3.8Å; W29-F137 HydrophobicContact CE3-CD1 3.8Å; W29-F137 HydrophobicContact CE3-CE1 4Å; W29-F137 HydrophobicContact CE3-CG 4.4Å; W29-F137 AromaticContact CZ3-CD1 3.73Å; W29-F137 HydrophobicContact CZ3-CD1 3.73Å; W29-F137 HydrophobicContact CZ3-CD2 4.41Å; W29-F137 AromaticContact CZ3-CE1 3.69Å; W29-F137 HydrophobicContact CZ3-CE1 3.69Å; W29-F137 HydrophobicContact CZ3-CE2 4.37Å; W29-F137 HydrophobicContact CZ3-CG 4.11Å; W29-F137 HydrophobicContact CZ3-CZ 4.02Å
30V81.1Confident81.2Confident37 Ų3750.4 Ų50.422%0.22425%0.251CS..EExtended strand (participates in β ladder)trans-118.7116.8-175.6179.70000106.9R136V30-R136 HydrophobicContact CB-CG 4.17Å; V30-R136 PolarHBondContact N-O 2.98Å; V30-R136 PolarHBondContact O-N 2.86Å
31W71.8Confident80.6Confident20 Ų2050 Ų508%0.07625%0.25CS..  trans-80.1-172.4167.9-76.4105.9000109.3W29 E35 L126 S129 D131 N134 G135W29-W31 AromaticContact CD1-CD1 3.58Å; W29-W31 AromaticContact CD1-CE2 3.84Å; W29-W31 AromaticContact CD1-NE1 3.37Å; W29-W31 AromaticContact NE1-CD1 3.73Å; W29-W31 AromaticContact NE1-CD2 3.71Å; W29-W31 AromaticContact NE1-CE2 3.21Å; W29-W31 AromaticContact NE1-CG 3.99Å; W29-W31 AromaticContact NE1-CZ2 3.55Å; W29-W31 AromaticContact NE1-NE1 3.26Å; W31-E35 WeakPolarHBondContact CA-O 3.25Å; W31-E35 HydrophobicContact CB-CB 3.86Å; W31-E35 HydrophobicContact CB-CG 4.24Å; W31-E35 WeakPolarHBondContact CB-O 3.27Å; W31-E35 HydrophobicContact CG-CB 4.48Å; W31-E35 HydrophobicContact CG-CG 4.36Å; W31-E35 PolarHBondContact N-O 3.38Å; W31-L126 HydrophobicContact CH2-CD1 4.15Å; W31-L126 HydrophobicContact CH2-CG 4.19Å; W31-L126 HydrophobicContact CZ2-CD1 4.27Å; W31-S129 WeakPolarHBondContact CH2-OG 3.3Å; W31-S129 WeakPolarHBondContact CZ2-OG 3.34Å; W31-D131 VanDerWaalsContact CZ3-O 3.3Å; W31-D131 WeakPolarHBondContact CZ3-O 3.26Å; W31-N134 HydrophobicContact CE3-CB 4.02Å; W31-N134 HydrophobicContact CZ3-CB 4.03Å; W31-G135 VanDerWaalsContact CE3-CA 3.46Å; W31-G135 VanDerWaalsContact CE3-N 3.32Å
32T67.1Low79.9Confident75 Ų7547.8 Ų47.846%0.4624%0.239SC..SBendtrans-46.8171.8168.7-46.40000111.3T34 E35 N134T32-T34 PolarHBondContact O-N 3.19Å; T32-E35 PolarHBondContact O-N 3.4Å; T32-E35 VanDerWaalsContact O-N 3.14Å; T32-N134 PolarHBondContact N-O 2.88Å
33E62.8Low79.3Confident174 Ų17448.1 Ų48.181%0.81324%0.241SC*.THydrogen-bonded Turntrans-52.8-0.2-172.9-56.1-150.9172.100117.6W52E33-W52 WeakPolarHBondContact O-CH2 3.49Å
34T63.5Low78.8Confident76 Ų7651.6 Ų51.647%0.46626%0.256SS..THydrogen-bonded Turntrans-112-7.8-175.657.90000115.2T32 F44 Y45T32-T34 PolarHBondContact O-N 3.19Å; T34-F44 CarbonylContact O-C 3.1Å; T34-F44 WeakPolarHBondContact O-CA 3.19Å; T34-Y45 PolarHBondContact O-N 3.05Å
35E66.9Low78.3Confident54 Ų5450 Ų5025%0.25224%0.243SC..EExtended strand (participates in β ladder)trans-147.3133.8-176.5179.7178.3173.800113W31 T32 T37 C43 F44W31-E35 WeakPolarHBondContact CA-O 3.25Å; W31-E35 HydrophobicContact CB-CB 3.86Å; W31-E35 HydrophobicContact CB-CG 4.24Å; W31-E35 WeakPolarHBondContact CB-O 3.27Å; W31-E35 HydrophobicContact CG-CB 4.48Å; W31-E35 HydrophobicContact CG-CG 4.36Å; W31-E35 PolarHBondContact N-O 3.38Å; T32-E35 PolarHBondContact O-N 3.4Å; T32-E35 VanDerWaalsContact O-N 3.14Å; E35-T37 HydrophobicContact CG-CG2 4.39Å; E35-C43 WeakPolarHBondContact CA-O 3.35Å; E35-F44 HydrophobicContact CB-CD1 4.1Å; E35-F44 HydrophobicContact CG-CD1 3.61Å; E35-F44 HydrophobicContact CG-CE1 3.57Å; E35-F44 HydrophobicContact CG-CZ 4.49Å; E35-F44 WeakPolarHBondContact OE1-CE1 3.48Å
36I71.7Confident77.8Confident41 Ų4147.1 Ų47.121%0.2123%0.232CC..EExtended strand (participates in β ladder)trans-128.9123.3176.1-59.3173.3000107.3K26 N42 C43 W52K26-I36 VanDerWaalsContact O-CG2 3.32Å; K26-I36 WeakPolarHBondContact O-CG2 3.3Å; I36-N42 WeakPolarHBondContact O-CA 3.05Å; I36-C43 PolarHBondContact N-O 3.38Å; I36-C43 PolarHBondContact O-N 3.23Å; I36-W52 HydrophobicContact CD1-CH2 3.97Å; I36-W52 HydrophobicContact CD1-CZ3 4.02Å; I36-W52 HydrophobicContact CG1-CH2 4.15Å; I36-W52 HydrophobicContact CG1-CZ3 4.07Å
37T72.7Confident77.7Confident20 Ų2049.1 Ų49.112%0.12325%0.247CC..EExtended strand (participates in β ladder)trans-107135.9174.752.30000110.2W29 E35 N42W29-T37 VanDerWaalsContact CB-OG1 3.27Å; W29-T37 WeakPolarHBondContact CB-OG1 3.28Å; W29-T37 PolarHBondContact N-O 3.21Å; W29-T37 PolarHBondContact O-N 3.34Å; W29-T37 PolarHBondContact O-OG1 3.47Å; E35-T37 HydrophobicContact CG-CG2 4.39Å; T37-N42 WeakPolarHBondContact CA-OD1 3.46Å; T37-N42 WeakPolarHBondContact CB-OD1 3.44Å; T37-N42 HydrophobicContact CG2-CB 4.44Å
38D78.6Confident77.5Confident6 Ų653.4 Ų53.43%0.03228%0.277CS..  trans-134.7174.8-173.3-168.631.3000111.3K26 W40 H41 N42K26-D38 VanDerWaalsContact CA-CG 3.43Å; K26-D38 WeakPolarHBondContact CA-OD2 3.32Å; K26-D38 HydrophobicContact CB-CB 4.16Å; K26-D38 HydrophobicContact CG-CB 4.41Å; K26-D38 WeakPolarHBondContact CG-OD2 3.4Å; D38-W40 VanDerWaalsContact C-N 3.34Å; D38-W40 PolarHBondContact O-N 3.4Å; D38-H41 WeakPolarHBondContact CB-O 3.25Å; D38-N42 PolarHBondContact N-OD1 3.04Å
39L79.9Confident77.2Confident0 Ų057.2 Ų57.20%030%0.301CS..SBendtrans-57-47.4172.6-97.374.7000112.2W28 V66 Q67 M70W28-L39 HydrophobicContact CB-CD1 4.22Å; W28-L39 VanDerWaalsContact CD1-CD1 3.49Å; W28-L39 HydrophobicContact CD2-CD1 3.08Å; W28-L39 HydrophobicContact CE3-CD1 3.56Å; W28-L39 HydrophobicContact CG-CD1 3.37Å; W28-L39 HydrophobicContact CH2-CD1 4.03Å; W28-L39 HydrophobicContact CZ2-CD1 3.63Å; W28-L39 HydrophobicContact CZ2-CD2 4.4Å; W28-L39 HydrophobicContact CZ3-CD1 4Å; L39-V66 HydrophobicContact CD1-CG1 4.35Å; L39-V66 HydrophobicContact CD2-CG1 4.27Å; L39-V66 HydrophobicContact CG-CG1 4.37Å; L39-Q67 HydrophobicContact CB-CG 4.23Å; L39-Q67 HydrophobicContact CD2-CB 4.49Å; L39-Q67 HydrophobicContact CD2-CG 4.08Å; L39-Q67 HydrophobicContact CG-CG 4.13Å; L39-Q67 PolarHBondContact O-NE2 3.25Å; L39-M70 HydrophobicContact CD2-CB 4.16Å; L39-M70 HydrophobicContact CD2-CG 3.84Å
40W86.3Confident77Confident76 Ų7662.4 Ų62.429%0.28833%0.325SS..SBendtrans-104.6-34.5-167.9-53.9104.2000113T23 D38 A56 A57 Q67 I71T23-W40 HydrophobicContact CG2-CZ2 4.45Å; T23-W40 PolarHBondContact O-NE1 3.26Å; D38-W40 VanDerWaalsContact C-N 3.34Å; D38-W40 PolarHBondContact O-N 3.4Å; W40-A56 WeakPolarHBondContact O-CA 3.26Å; W40-A57 PolarHBondContact O-N 3.45Å; W40-Q67 HydrophobicContact CE3-CG 4.31Å; W40-Q67 HydrophobicContact CH2-CB 3.72Å; W40-Q67 HydrophobicContact CH2-CG 3.89Å; W40-Q67 HydrophobicContact CZ2-CB 4.25Å; W40-Q67 HydrophobicContact CZ2-CG 4.28Å; W40-Q67 HydrophobicContact CZ3-CB 4.13Å; W40-Q67 HydrophobicContact CZ3-CG 3.92Å; W40-I71 HydrophobicContact CH2-CD1 3.58Å; W40-I71 HydrophobicContact CH2-CG1 4.29Å; W40-I71 HydrophobicContact CZ2-CD1 4Å; W40-I71 HydrophobicContact CZ2-CG1 4.22Å
41H83.5Confident77.1Confident78 Ų7863.9 Ų63.936%0.36133%0.334SS..EExtended strand (participates in β ladder)trans-142.3130.8-170.7-64.6-70000112.6K26 D38 C54 A55K26-H41 HydrophobicContact CD-CB 4.35Å; D38-H41 WeakPolarHBondContact CB-O 3.25Å; H41-C54 HydrophobicContact CB-CB 4.49Å; H41-A55 CarbonylContact C-O 3.56Å; H41-A55 WeakPolarHBondContact CA-O 3.49Å; H41-A55 WeakPolarHBondContact CB-O 3.42Å
42N82.4Confident77.5Confident23 Ų2368.7 Ų68.712%0.12335%0.353CS..EExtended strand (participates in β ladder)trans-93.9126.9169.5-64.3-26.8000109I36 T37 D38 F44 C54 A55I36-N42 WeakPolarHBondContact O-CA 3.05Å; T37-N42 WeakPolarHBondContact CA-OD1 3.46Å; T37-N42 WeakPolarHBondContact CB-OD1 3.44Å; T37-N42 HydrophobicContact CG2-CB 4.44Å; D38-N42 PolarHBondContact N-OD1 3.04Å; N42-F44 HydrophobicContact CB-CE2 3.68Å; N42-F44 HydrophobicContact CB-CZ 3.88Å; N42-C54 CarbonylContact O-C 3.6Å; N42-C54 WeakPolarHBondContact O-CA 3.48Å; N42-A55 PolarHBondContact N-O 3.3Å; N42-A55 PolarHBondContact O-N 2.81Å
43C82.4Confident78.3Confident7 Ų768.8 Ų68.85%0.04735%0.353CS..EExtended strand (participates in β ladder)trans-112.5131.4-179.2-60.20000110.4E35 I36 W52 V53 C54E35-C43 WeakPolarHBondContact CA-O 3.35Å; I36-C43 PolarHBondContact N-O 3.38Å; I36-C43 PolarHBondContact O-N 3.23Å; C43-W52 HydrophobicContact CB-CE3 4.1Å; C43-V53 CarbonylContact C-O 3.58Å; C43-V53 WeakPolarHBondContact CA-O 3.49Å; C43-C54 HydrophobicContact CB-CB 4.14Å; C43-C54 WeakPolarHBondContact CB-SG 3.38Å; C43-C54 WeakPolarHBondContact SG-CB 3.34Å; C43-C54 CovalentContact SG-SG 2.04Å; C43-C54 PolarHBondContact SG-SG 3Å
44F83.8Confident79.3Confident80 Ų8063.7 Ų63.735%0.35134%0.336SS..EExtended strand (participates in β ladder)trans-123.6136.6-179.3-52.8-94.8000109.6T34 E35 N42 V53T34-F44 CarbonylContact O-C 3.1Å; T34-F44 WeakPolarHBondContact O-CA 3.19Å; E35-F44 HydrophobicContact CB-CD1 4.1Å; E35-F44 HydrophobicContact CG-CD1 3.61Å; E35-F44 HydrophobicContact CG-CE1 3.57Å; E35-F44 HydrophobicContact CG-CZ 4.49Å; E35-F44 WeakPolarHBondContact OE1-CE1 3.48Å; N42-F44 HydrophobicContact CB-CE2 3.68Å; N42-F44 HydrophobicContact CB-CZ 3.88Å; F44-V53 PolarHBondContact N-O 3.02Å; F44-V53 PolarHBondContact O-N 3.08Å
45Y81.2Confident80.3Confident70 Ų7062.6 Ų62.628%0.27534%0.335SS..EExtended strand (participates in β ladder)trans-82.4116.4173.8-169.4-106.7000109.7T34 Q50 W52T34-Y45 PolarHBondContact O-N 3.05Å; Y45-Q50 WeakPolarHBondContact OH-CA 3.36Å; Y45-Q50 PolarHBondContact OH-O 3.13Å; Y45-Q50 PolarHBondContact OH-OE1 3.43Å; Y45-Q50 VanDerWaalsContact OH-OE1 3.1Å; Y45-W52 AromaticContact CD2-CD1 3.84Å; Y45-W52 AromaticContact CD2-CD2 3.97Å; Y45-W52 HydrophobicContact CD2-CD2 3.97Å; Y45-W52 AromaticContact CD2-CE2 3.68Å; Y45-W52 HydrophobicContact CD2-CG 4.07Å; Y45-W52 HydrophobicContact CD2-CZ2 4.18Å; Y45-W52 AromaticContact CD2-NE1 3.58Å; Y45-W52 HydrophobicContact CG-CZ2 4.47Å
46T78.6Confident81Confident43 Ų4363.4 Ų63.426%0.26435%0.35SS..EExtended strand (participates in β ladder)trans-93.2109.2-178.5-63.60000109.7S48 T49 Q50 T51T46-S48 WeakPolarHBondContact CG2-OG 3.25Å; T46-S48 PolarHBondContact O-N 2.93Å; T46-T49 WeakPolarHBondContact CB-OG1 3.4Å; T46-T49 HydrophobicContact CG2-CG2 4.43Å; T46-T49 WeakPolarHBondContact CG2-OG1 3.34Å; T46-T49 PolarHBondContact O-N 2.97Å; T46-Q50 WeakPolarHBondContact O-CA 3.36Å; T46-Q50 PolarHBondContact O-N 2.94Å; T46-T51 PolarHBondContact N-O 3.39Å
47N79.3Confident81.3Confident128 Ų12861.7 Ų61.768%0.68434%0.342SS*.THydrogen-bonded Turntrans-64-26.6-177.5-160.54.9000112.9Q50N47-Q50 PolarHBondContact O-NE2 3.17Å; N47-Q50 PolarHBondContact OD1-NE2 3.29Å
48S81.9Confident81.5Confident107 Ų10766 Ų6675%0.74837%0.369SS*.THydrogen-bonded Turntrans-71.9-33.8178.457.80000113.7T46T46-S48 WeakPolarHBondContact CG2-OG 3.25Å; T46-S48 PolarHBondContact O-N 2.93Å
49T81.1Confident81.1Confident81 Ų8171.9 Ų71.950%0.49740%0.396SS..THydrogen-bonded Turntrans-106-7.3-179.455.80000113.1T46 T51T46-T49 WeakPolarHBondContact CB-OG1 3.4Å; T46-T49 HydrophobicContact CG2-CG2 4.43Å; T46-T49 WeakPolarHBondContact CG2-OG1 3.34Å; T46-T49 PolarHBondContact O-N 2.97Å; T49-T51 WeakPolarHBondContact CB-OG1 3.47Å; T49-T51 PolarHBondContact O-N 2.98Å; T49-T51 PolarHBondContact OG1-OG1 2.75Å
50Q81.1Confident81.3Confident114 Ų11473.2 Ų73.253%0.53341%0.405SS..THydrogen-bonded Turntrans55.329.7-173.9-60.6-72.3-61.300112.9Y45 T46 N47Y45-Q50 WeakPolarHBondContact OH-CA 3.36Å; Y45-Q50 PolarHBondContact OH-O 3.13Å; Y45-Q50 PolarHBondContact OH-OE1 3.43Å; Y45-Q50 VanDerWaalsContact OH-OE1 3.1Å; T46-Q50 WeakPolarHBondContact O-CA 3.36Å; T46-Q50 PolarHBondContact O-N 2.94Å; N47-Q50 PolarHBondContact O-NE2 3.17Å; N47-Q50 PolarHBondContact OD1-NE2 3.29Å
51T81.9Confident81.5Confident68 Ų6876.1 Ų76.142%0.41743%0.426SS..EExtended strand (participates in β ladder)trans-125.6153.8-176.753.80000112.4T46 T49T46-T51 PolarHBondContact N-O 3.39Å; T49-T51 WeakPolarHBondContact CB-OG1 3.47Å; T49-T51 PolarHBondContact O-N 2.98Å; T49-T51 PolarHBondContact OG1-OG1 2.75Å
52W80.6Confident81.7Confident122 Ų12274 Ų7446%0.46242%0.415SS..EExtended strand (participates in β ladder)trans-81.3127.1168.2-72.993.3000109.9E33 I36 C43 Y45E33-W52 WeakPolarHBondContact O-CH2 3.49Å; I36-W52 HydrophobicContact CD1-CH2 3.97Å; I36-W52 HydrophobicContact CD1-CZ3 4.02Å; I36-W52 HydrophobicContact CG1-CH2 4.15Å; I36-W52 HydrophobicContact CG1-CZ3 4.07Å; C43-W52 HydrophobicContact CB-CE3 4.1Å; Y45-W52 AromaticContact CD2-CD1 3.84Å; Y45-W52 AromaticContact CD2-CD2 3.97Å; Y45-W52 HydrophobicContact CD2-CD2 3.97Å; Y45-W52 AromaticContact CD2-CE2 3.68Å; Y45-W52 HydrophobicContact CD2-CG 4.07Å; Y45-W52 HydrophobicContact CD2-CZ2 4.18Å; Y45-W52 AromaticContact CD2-NE1 3.58Å; Y45-W52 HydrophobicContact CG-CZ2 4.47Å
53V84.1Confident82.1Confident77 Ų7773.5 Ų73.547%0.46741%0.412SS..EExtended strand (participates in β ladder)trans-118.4126.1175.5-175.90000108C43 F44C43-V53 CarbonylContact C-O 3.58Å; C43-V53 WeakPolarHBondContact CA-O 3.49Å; F44-V53 PolarHBondContact N-O 3.02Å; F44-V53 PolarHBondContact O-N 3.08Å
54C84.6Confident82.5Confident66 Ų6678.3 Ų78.345%0.44643%0.434SS..EExtended strand (participates in β ladder)trans-111.1132.8-179.9-56.90000110.6H41 N42 C43H41-C54 HydrophobicContact CB-CB 4.49Å; N42-C54 CarbonylContact O-C 3.6Å; N42-C54 WeakPolarHBondContact O-CA 3.48Å; C43-C54 HydrophobicContact CB-CB 4.14Å; C43-C54 WeakPolarHBondContact CB-SG 3.38Å; C43-C54 WeakPolarHBondContact SG-CB 3.34Å; C43-C54 CovalentContact SG-SG 2.04Å; C43-C54 PolarHBondContact SG-SG 3Å
55A83Confident83.1Confident54 Ų5477.1 Ų77.145%0.44644%0.436SS..EExtended strand (participates in β ladder)trans-116.7159.2171.900000109.5H41 N42H41-A55 CarbonylContact C-O 3.56Å; H41-A55 WeakPolarHBondContact CA-O 3.49Å; H41-A55 WeakPolarHBondContact CB-O 3.42Å; N42-A55 PolarHBondContact N-O 3.3Å; N42-A55 PolarHBondContact O-N 2.81Å
56A81.3Confident83.7Confident70 Ų7073.8 Ų73.858%0.57942%0.423SS*.EExtended strand (participates in β ladder)trans-57.2141.317100000110.2W40W40-A56 WeakPolarHBondContact O-CA 3.26Å
57A79.5Confident84.5Confident5 Ų572.3 Ų72.34%0.04141%0.413CS..PPolyproline II helixtrans-60.8144.9175.600000110W40 E59 L63W40-A57 PolarHBondContact O-N 3.45Å; A57-E59 PolarHBondContact O-N 3.48Å; A57-L63 HydrophobicContact CB-CD2 3.96Å
58T76.1Confident85.3Confident112 Ų11269 Ų6969%0.68740%0.403SS*.PPolyproline II helixtrans-68.9117.3174.945.60000109.3S60T58-S60 PolarHBondContact O-N 3.32Å
59E71.4Confident86.1Confident129 Ų12965.6 Ų65.660%0.60338%0.376SS*.PPolyproline II helixtrans-58.3117.1179.7-61.1-62.4152.900110.5A57A57-E59 PolarHBondContact O-N 3.48Å
60S84Confident86.9Confident28 Ų2861.7 Ų61.720%0.19635%0.353CS..  trans-127.9144.1169.254.10000108T58 W62 L63 Q64T58-S60 PolarHBondContact O-N 3.32Å; S60-W62 PolarHBondContact O-N 2.95Å; S60-W62 VanDerWaalsContact O-N 3.13Å; S60-W62 PolarHBondContact OG-NE1 2.83Å; S60-L63 PolarHBondContact O-N 3.46Å; S60-L63 WeakPolarHBondContact OG-CB 3.4Å; S60-Q64 PolarHBondContact O-N 3.16Å
61D88.8Confident87.7Confident136 Ų13660.1 Ų60.173%0.72735%0.347SS*.Hα-helixtrans-56.3-36.6-172.4-62.5-12.5000112.4S65D61-S65 WeakPolarHBondContact O-CB 3.42Å; D61-S65 PolarHBondContact O-N 2.94Å; D61-S65 PolarHBondContact O-OG 3.43Å
62W89.6Confident88.5Confident34 Ų3460.2 Ų60.213%0.12935%0.345CS..Hα-helixtrans-70.7-3917771.8-100.3000111.9S60 S65 V66 I117 F118 H121 E124 I125S60-W62 PolarHBondContact O-N 2.95Å; S60-W62 VanDerWaalsContact O-N 3.13Å; S60-W62 PolarHBondContact OG-NE1 2.83Å; W62-S65 WeakPolarHBondContact O-CB 3.09Å; W62-S65 PolarHBondContact O-N 3.25Å; W62-V66 HydrophobicContact CE3-CG2 4.27Å; W62-V66 WeakPolarHBondContact O-CG2 3.27Å; W62-V66 PolarHBondContact O-N 2.95Å; W62-I117 HydrophobicContact CB-CG2 4.31Å; W62-F118 HydrophobicContact CH2-CD2 4.44Å; W62-F118 HydrophobicContact CH2-CE2 4.41Å; W62-F118 AromaticContact CZ3-CD2 3.85Å; W62-F118 HydrophobicContact CZ3-CD2 3.85Å; W62-F118 HydrophobicContact CZ3-CE2 4.25Å; W62-H121 AromaticContact CD1-CD2 3.73Å; W62-H121 HydrophobicContact CD2-CB 3.72Å; W62-H121 AromaticContact CD2-CG 3.91Å; W62-H121 HydrophobicContact CE3-CB 3.8Å; W62-H121 HydrophobicContact CG-CB 4.11Å; W62-H121 AromaticContact CG-CD2 3.55Å; W62-H121 AromaticContact CG-CG 3.78Å; W62-H121 HydrophobicContact CZ3-CB 4.29Å; W62-E124 PolarHBondContact NE1-OE1 3.38Å; W62-I125 HydrophobicContact CH2-CD1 3.53Å; W62-I125 HydrophobicContact CH2-CG1 3.59Å; W62-I125 HydrophobicContact CZ2-CD1 4.11Å; W62-I125 HydrophobicContact CZ2-CG1 3.61Å; W62-I125 HydrophobicContact CZ3-CD1 4.3Å
63L89.3Confident89.3Confident12 Ų1254.4 Ų54.46%0.06332%0.323CS..Hα-helixtrans-69.5-41.1179.1-176.562.3000110.6A57 S60 S65 V66 Q67A57-L63 HydrophobicContact CB-CD2 3.96Å; S60-L63 PolarHBondContact O-N 3.46Å; S60-L63 WeakPolarHBondContact OG-CB 3.4Å; L63-S65 PolarHBondContact O-N 3.3Å; L63-V66 WeakPolarHBondContact O-CB 3.35Å; L63-V66 PolarHBondContact O-N 3.24Å; L63-V66 VanDerWaalsContact O-N 3.12Å; L63-Q67 WeakPolarHBondContact O-CG 3.23Å; L63-Q67 PolarHBondContact O-N 3.43Å
64Q92.4Very high90Very high109 Ų10951.5 Ų51.551%0.50931%0.305SS..Hα-helixtrans-61-36.8174-166-179.49.400111.5S60 Q67 A68S60-Q64 PolarHBondContact O-N 3.16Å; Q64-Q67 PolarHBondContact O-N 3.45Å; Q64-A68 WeakPolarHBondContact O-CB 3.44Å; Q64-A68 PolarHBondContact O-N 3Å
65S94.6Very high90.6Very high54 Ų5451.9 Ų51.938%0.37831%0.305SS..Hα-helixtrans-63.5-43.9173.3-60.10000111.8D61 W62 L63 A68 L69D61-S65 WeakPolarHBondContact O-CB 3.42Å; D61-S65 PolarHBondContact O-N 2.94Å; D61-S65 PolarHBondContact O-OG 3.43Å; W62-S65 WeakPolarHBondContact O-CB 3.09Å; W62-S65 PolarHBondContact O-N 3.25Å; L63-S65 PolarHBondContact O-N 3.3Å; S65-A68 PolarHBondContact O-N 2.93Å; S65-L69 WeakPolarHBondContact O-CB 3.4Å; S65-L69 WeakPolarHBondContact O-CD1 3.31Å; S65-L69 WeakPolarHBondContact O-CG 3.43Å; S65-L69 PolarHBondContact O-N 3.2Å
66V95.1Very high91.4Very high0 Ų052 Ų520%030%0.296CS..Hα-helixtrans-61.3-47.6175.3175.30000110.6W28 L39 W62 L63 A68 L69 M70 A114 I117 F118W28-V66 HydrophobicContact CH2-CG1 3.95Å; W28-V66 HydrophobicContact CZ3-CG1 3.8Å; L39-V66 HydrophobicContact CD1-CG1 4.35Å; L39-V66 HydrophobicContact CD2-CG1 4.27Å; L39-V66 HydrophobicContact CG-CG1 4.37Å; W62-V66 HydrophobicContact CE3-CG2 4.27Å; W62-V66 WeakPolarHBondContact O-CG2 3.27Å; W62-V66 PolarHBondContact O-N 2.95Å; L63-V66 WeakPolarHBondContact O-CB 3.35Å; L63-V66 PolarHBondContact O-N 3.24Å; L63-V66 VanDerWaalsContact O-N 3.12Å; V66-A68 PolarHBondContact O-N 2.94Å; V66-L69 PolarHBondContact O-N 3.31Å; V66-M70 HydrophobicContact CG1-CG 4.33Å; V66-M70 WeakPolarHBondContact O-CG 3.26Å; V66-M70 PolarHBondContact O-N 2.98Å; V66-A114 HydrophobicContact CG1-CB 4.21Å; V66-I117 HydrophobicContact CG2-CB 3.95Å; V66-I117 HydrophobicContact CG2-CG2 3.63Å; V66-F118 HydrophobicContact CG1-CB 4.43Å; V66-F118 HydrophobicContact CG1-CD2 4.4Å; V66-F118 HydrophobicContact CG2-CB 4.12Å
67Q95.1Very high92.2Very high13 Ų1348.7 Ų48.76%0.06127%0.268CS..Hα-helixtrans-56.3-49.2177.1-71.4169.1-12.100112.1L39 W40 L63 Q64 L69 M70 I71L39-Q67 HydrophobicContact CB-CG 4.23Å; L39-Q67 HydrophobicContact CD2-CB 4.49Å; L39-Q67 HydrophobicContact CD2-CG 4.08Å; L39-Q67 HydrophobicContact CG-CG 4.13Å; L39-Q67 PolarHBondContact O-NE2 3.25Å; W40-Q67 HydrophobicContact CE3-CG 4.31Å; W40-Q67 HydrophobicContact CH2-CB 3.72Å; W40-Q67 HydrophobicContact CH2-CG 3.89Å; W40-Q67 HydrophobicContact CZ2-CB 4.25Å; W40-Q67 HydrophobicContact CZ2-CG 4.28Å; W40-Q67 HydrophobicContact CZ3-CB 4.13Å; W40-Q67 HydrophobicContact CZ3-CG 3.92Å; L63-Q67 WeakPolarHBondContact O-CG 3.23Å; L63-Q67 PolarHBondContact O-N 3.43Å; Q64-Q67 PolarHBondContact O-N 3.45Å; Q67-L69 VanDerWaalsContact C-N 3.34Å; Q67-L69 PolarHBondContact O-N 3.43Å; Q67-M70 PolarHBondContact O-N 3.29Å; Q67-I71 WeakPolarHBondContact O-CG1 3.3Å; Q67-I71 PolarHBondContact O-N 3.46Å
68A96.7Very high93.1Very high58 Ų5850.1 Ų50.148%0.47928%0.278SS..Hα-helixtrans-61.9-42.1179.500000111.9Q64 S65 V66 L72Q64-A68 WeakPolarHBondContact O-CB 3.44Å; Q64-A68 PolarHBondContact O-N 3Å; S65-A68 PolarHBondContact O-N 2.93Å; V66-A68 PolarHBondContact O-N 2.94Å; A68-L72 VanDerWaalsContact O-CB 3.27Å; A68-L72 WeakPolarHBondContact O-CB 3.29Å; A68-L72 PolarHBondContact O-N 2.8Å
69L97.9Very high94.1Very high35 Ų3547.4 Ų47.418%0.18326%0.261CS..Hα-helixtrans-68.3-38.8178.7-72168.3000112.7S65 V66 Q67 L72 S73 T110 A113 A114 I117S65-L69 WeakPolarHBondContact O-CB 3.4Å; S65-L69 WeakPolarHBondContact O-CD1 3.31Å; S65-L69 WeakPolarHBondContact O-CG 3.43Å; S65-L69 PolarHBondContact O-N 3.2Å; V66-L69 PolarHBondContact O-N 3.31Å; Q67-L69 VanDerWaalsContact C-N 3.34Å; Q67-L69 PolarHBondContact O-N 3.43Å; L69-L72 PolarHBondContact O-N 2.86Å; L69-S73 PolarHBondContact O-N 2.92Å; L69-T110 HydrophobicContact CD2-CG2 4.21Å; L69-A113 HydrophobicContact CD1-CB 3.91Å; L69-A113 HydrophobicContact CD2-CB 4.42Å; L69-A114 HydrophobicContact CB-CB 3.76Å; L69-A114 HydrophobicContact CD1-CB 4.44Å; L69-I117 HydrophobicContact CD1-CD1 3.61Å
70M97.6Very high95.3Very high0 Ų041.3 Ų41.30%023%0.232CC..Hα-helixtrans-63.5-46.2174.3-71.1-55.7-60.500111.6L19 A22 T23 W28 L39 V66 Q67 L72 S73 V74 A114 A144L19-M70 HydrophobicContact CD2-CE 4.33Å; A22-M70 HydrophobicContact CB-CE 4.11Å; T23-M70 HydrophobicContact CG2-CB 4.12Å; T23-M70 WeakPolarHBondContact OG1-CE 3.38Å; W28-M70 HydrophobicContact CH2-CE 4.36Å; W28-M70 HydrophobicContact CH2-CG 3.94Å; W28-M70 HydrophobicContact CH2-SD 3.68Å; W28-M70 HydrophobicContact CZ2-CE 3.87Å; W28-M70 HydrophobicContact CZ2-CG 3.95Å; W28-M70 HydrophobicContact CZ2-SD 3.78Å; L39-M70 HydrophobicContact CD2-CB 4.16Å; L39-M70 HydrophobicContact CD2-CG 3.84Å; V66-M70 HydrophobicContact CG1-CG 4.33Å; V66-M70 WeakPolarHBondContact O-CG 3.26Å; V66-M70 PolarHBondContact O-N 2.98Å; Q67-M70 PolarHBondContact O-N 3.29Å; M70-L72 VanDerWaalsContact C-N 3.32Å; M70-L72 PolarHBondContact O-N 3.01Å; M70-S73 WeakPolarHBondContact O-CB 3.43Å; M70-S73 PolarHBondContact O-N 3.44Å; M70-V74 WeakPolarHBondContact O-CG2 3.34Å; M70-V74 PolarHBondContact O-N 3.47Å; M70-A114 HydrophobicContact CG-CB 3.99Å; M70-A114 HydrophobicContact SD-CB 3.67Å; M70-A144 HydrophobicContact CE-CB 4.48Å
71I98Very high95.9Very high80 Ų8041 Ų4141%0.4123%0.228SC..Hα-helixtrans-58.6-47174.1-70.2169.3000110.3W40 Q67 S73 V74 V75W40-I71 HydrophobicContact CH2-CD1 3.58Å; W40-I71 HydrophobicContact CH2-CG1 4.29Å; W40-I71 HydrophobicContact CZ2-CD1 4Å; W40-I71 HydrophobicContact CZ2-CG1 4.22Å; Q67-I71 WeakPolarHBondContact O-CG1 3.3Å; Q67-I71 PolarHBondContact O-N 3.46Å; I71-S73 VanDerWaalsContact C-N 3.26Å; I71-S73 PolarHBondContact O-N 3.25Å; I71-V74 PolarHBondContact O-N 2.9Å; I71-V75 HydrophobicContact CG2-CG2 4.18Å; I71-V75 WeakPolarHBondContact O-CG2 3.4Å; I71-V75 PolarHBondContact O-N 3.32Å
72L98.2Very high96.2Very high71 Ų7140.4 Ų40.437%0.37222%0.224SC..Hα-helixtrans-61.8-37.4-178.5-170.658.3000111.5A68 L69 M70 V75 F76 T110A68-L72 VanDerWaalsContact O-CB 3.27Å; A68-L72 WeakPolarHBondContact O-CB 3.29Å; A68-L72 PolarHBondContact O-N 2.8Å; L69-L72 PolarHBondContact O-N 2.86Å; M70-L72 VanDerWaalsContact C-N 3.32Å; M70-L72 PolarHBondContact O-N 3.01Å; L72-V75 PolarHBondContact O-N 2.94Å; L72-F76 HydrophobicContact CD1-CD2 3.82Å; L72-F76 HydrophobicContact CD1-CE2 3.43Å; L72-F76 VanDerWaalsContact CD1-CE2 3.43Å; L72-F76 HydrophobicContact CD1-CZ 4.06Å; L72-F76 HydrophobicContact CD2-CE2 3.97Å; L72-F76 HydrophobicContact CG-CD2 3.71Å; L72-F76 HydrophobicContact CG-CE2 3.5Å; L72-F76 VanDerWaalsContact CG-CE2 3.5Å; L72-F76 WeakPolarHBondContact O-CB 3.08Å; L72-F76 VanDerWaalsContact O-CD2 3.29Å; L72-F76 WeakPolarHBondContact O-CD2 3.45Å; L72-F76 PolarHBondContact O-N 3.49Å; L72-T110 HydrophobicContact CB-CG2 4.39Å; L72-T110 HydrophobicContact CD2-CG2 3.7Å; L72-T110 HydrophobicContact CG-CG2 3.98Å
73S98.4Very high96.3Very high0 Ų040.3 Ų40.30%023%0.228CC..Hα-helixtrans-61.1-50173.2-177.20000112.5L19 L69 M70 I71 V75 F76 S77 A107 T110L19-S73 WeakPolarHBondContact CD1-OG 3.49Å; L19-S73 WeakPolarHBondContact CD2-OG 3.44Å; L69-S73 PolarHBondContact O-N 2.92Å; M70-S73 WeakPolarHBondContact O-CB 3.43Å; M70-S73 PolarHBondContact O-N 3.44Å; I71-S73 VanDerWaalsContact C-N 3.26Å; I71-S73 PolarHBondContact O-N 3.25Å; S73-V75 VanDerWaalsContact C-N 3.32Å; S73-V75 PolarHBondContact O-N 3.41Å; S73-F76 PolarHBondContact O-N 2.84Å; S73-S77 WeakPolarHBondContact O-CB 3.23Å; S73-S77 PolarHBondContact O-N 3.34Å; S73-A107 WeakPolarHBondContact O-CB 3.35Å; S73-A107 PolarHBondContact OG-O 2.91Å; S73-T110 VanDerWaalsContact CA-OG1 3.28Å; S73-T110 WeakPolarHBondContact CA-OG1 3.32Å; S73-T110 WeakPolarHBondContact CB-OG1 3.31Å; S73-T110 PolarHBondContact N-OG1 3.5Å
74V98.4Very high96.5Very high16 Ų1639.8 Ų39.810%0.09723%0.225CC..Hα-helixtrans-59-44.2177.2172.60000111.1L19 F20 M70 I71 S78L19-V74 HydrophobicContact CB-CG2 4.04Å; F20-V74 HydrophobicContact CD1-CG1 4.17Å; F20-V74 HydrophobicContact CD2-CG1 4.31Å; F20-V74 HydrophobicContact CE1-CG1 3.63Å; F20-V74 HydrophobicContact CE2-CG1 3.79Å; F20-V74 HydrophobicContact CG-CG1 4.48Å; F20-V74 HydrophobicContact CZ-CG1 3.42Å; F20-V74 VanDerWaalsContact CZ-CG1 3.42Å; M70-V74 WeakPolarHBondContact O-CG2 3.34Å; M70-V74 PolarHBondContact O-N 3.47Å; I71-V74 PolarHBondContact O-N 2.9Å; V74-S78 VanDerWaalsContact O-CB 3.28Å; V74-S78 WeakPolarHBondContact O-CB 3.45Å; V74-S78 PolarHBondContact O-N 3.4Å; V74-S78 PolarHBondContact O-OG 2.94Å
75V98.4Very high96.4Very high73 Ų7338.2 Ų38.244%0.44222%0.22SC..Hα-helixtrans-63.3-50.5179169.90000110.8I71 L72 S73 S77 S78 V79I71-V75 HydrophobicContact CG2-CG2 4.18Å; I71-V75 WeakPolarHBondContact O-CG2 3.4Å; I71-V75 PolarHBondContact O-N 3.32Å; L72-V75 PolarHBondContact O-N 2.94Å; S73-V75 VanDerWaalsContact C-N 3.32Å; S73-V75 PolarHBondContact O-N 3.41Å; V75-S77 PolarHBondContact O-N 3.19Å; V75-S78 PolarHBondContact O-N 3.35Å; V75-V79 HydrophobicContact CG1-CG2 4.42Å; V75-V79 WeakPolarHBondContact O-CG2 3.42Å; V75-V79 PolarHBondContact O-N 3.46Å
76F98.5Very high96.1Very high58 Ų5836.8 Ų36.825%0.25421%0.213SC..Hα-helixtrans-62.9-41.7-179.8-83.7-51.4000112.6L72 S73 V79 S80 F106 A107L72-F76 HydrophobicContact CD1-CD2 3.82Å; L72-F76 HydrophobicContact CD1-CE2 3.43Å; L72-F76 VanDerWaalsContact CD1-CE2 3.43Å; L72-F76 HydrophobicContact CD1-CZ 4.06Å; L72-F76 HydrophobicContact CD2-CE2 3.97Å; L72-F76 HydrophobicContact CG-CD2 3.71Å; L72-F76 HydrophobicContact CG-CE2 3.5Å; L72-F76 VanDerWaalsContact CG-CE2 3.5Å; L72-F76 WeakPolarHBondContact O-CB 3.08Å; L72-F76 VanDerWaalsContact O-CD2 3.29Å; L72-F76 WeakPolarHBondContact O-CD2 3.45Å; L72-F76 PolarHBondContact O-N 3.49Å; S73-F76 PolarHBondContact O-N 2.84Å; F76-V79 PolarHBondContact O-N 3.24Å; F76-S80 VanDerWaalsContact O-CB 3.26Å; F76-S80 WeakPolarHBondContact O-CB 3.38Å; F76-S80 PolarHBondContact O-N 3.44Å; F76-F106 HydrophobicContact CD1-CB 4.42Å; F76-F106 HydrophobicContact CD2-CB 3.87Å; F76-F106 HydrophobicContact CE2-CB 4.03Å; F76-F106 HydrophobicContact CG-CB 4.09Å; F76-F106 HydrophobicContact CZ-CB 4.4Å; F76-A107 HydrophobicContact CB-CB 3.85Å
77S98.3Very high95.8Very high0 Ų037.8 Ų37.80%022%0.218CC..Hα-helixtrans-66.6-39175.8-168.80000111.4H12 S73 V75 S80 L81 Q104H12-S77 PolarHBondContact NE2-O 3.29Å; H12-S77 PolarHBondContact NE2-OG 3.3Å; H12-S77 VanDerWaalsContact NE2-OG 3.08Å; S73-S77 WeakPolarHBondContact O-CB 3.23Å; S73-S77 PolarHBondContact O-N 3.34Å; V75-S77 PolarHBondContact O-N 3.19Å; S77-S80 WeakPolarHBondContact O-CB 3.44Å; S77-S80 PolarHBondContact O-N 2.87Å; S77-L81 PolarHBondContact O-N 2.94Å; S77-Q104 PolarHBondContact OG-NE2 3.45Å
78S98.2Very high95.2Very high34 Ų3439.9 Ų39.924%0.23823%0.229CC..Hα-helixtrans-64-45.3176.4-60.60000112.1V74 V75 S80 L81 L82V74-S78 VanDerWaalsContact O-CB 3.28Å; V74-S78 WeakPolarHBondContact O-CB 3.45Å; V74-S78 PolarHBondContact O-N 3.4Å; V74-S78 PolarHBondContact O-OG 2.94Å; V75-S78 PolarHBondContact O-N 3.35Å; S78-S80 VanDerWaalsContact C-N 3.33Å; S78-S80 PolarHBondContact O-N 3.47Å; S78-L81 PolarHBondContact O-N 3.44Å; S78-L82 WeakPolarHBondContact O-CG 3.37Å; S78-L82 PolarHBondContact O-N 3.22Å
79V97.4Very high94.6Very high56 Ų5643.3 Ų43.334%0.33924%0.238SC..Hα-helixtrans-61.1-44.6175.2170.30000110.5V75 F76 L81 L82 V83V75-V79 HydrophobicContact CG1-CG2 4.42Å; V75-V79 WeakPolarHBondContact O-CG2 3.42Å; V75-V79 PolarHBondContact O-N 3.46Å; F76-V79 PolarHBondContact O-N 3.24Å; V79-L81 VanDerWaalsContact C-N 3.29Å; V79-L81 PolarHBondContact O-N 3.25Å; V79-L82 PolarHBondContact O-N 3.43Å; V79-V83 HydrophobicContact CG1-CG2 4.11Å; V79-V83 WeakPolarHBondContact O-CB 3.32Å; V79-V83 WeakPolarHBondContact O-CG2 3.5Å; V79-V83 PolarHBondContact O-N 3.38Å
80S96.6Very high93.7Very high0 Ų049.9 Ų49.90%027%0.266CS..Hα-helixtrans-54.3-45.5175177.70000111.6H12 F76 S77 S78 F84 T100 Q104H12-S80 PolarHBondContact CE1-OG 2.61Å; H12-S80 VanDerWaalsContact CE1-OG 3.32Å; F76-S80 VanDerWaalsContact O-CB 3.26Å; F76-S80 WeakPolarHBondContact O-CB 3.38Å; F76-S80 PolarHBondContact O-N 3.44Å; S77-S80 WeakPolarHBondContact O-CB 3.44Å; S77-S80 PolarHBondContact O-N 2.87Å; S78-S80 VanDerWaalsContact C-N 3.33Å; S78-S80 PolarHBondContact O-N 3.47Å; S80-F84 VanDerWaalsContact O-CB 3.26Å; S80-F84 WeakPolarHBondContact O-CB 3.36Å; S80-F84 PolarHBondContact O-N 3.22Å; S80-T100 WeakPolarHBondContact OG-CG2 3.36Å; S80-T100 PolarHBondContact OG-O 2.99Å; S80-Q104 PolarHBondContact OG-OE1 3.4Å
81L95.7Very high92.5Very high22 Ų2251.1 Ų51.112%0.11527%0.272CS..Hα-helixtrans-64.3-47.8178.1-176.962.6000112.1H12 L13 L16 S77 S78 V79 V83 F84 L85H12-L81 PolarHBondContact CE1-N 2.96Å; H12-L81 VanDerWaalsContact CE1-N 3.27Å; L13-L81 HydrophobicContact CD2-CD1 4.31Å; L13-L81 HydrophobicContact CD2-CD2 3.79Å; L16-L81 HydrophobicContact CD2-CD2 3.79Å; S77-L81 PolarHBondContact O-N 2.94Å; S78-L81 PolarHBondContact O-N 3.44Å; V79-L81 VanDerWaalsContact C-N 3.29Å; V79-L81 PolarHBondContact O-N 3.25Å; L81-V83 VanDerWaalsContact C-N 3.35Å; L81-V83 PolarHBondContact O-N 3.06Å; L81-F84 WeakPolarHBondContact O-CB 3.32Å; L81-F84 PolarHBondContact O-N 2.92Å; L81-L85 HydrophobicContact CD1-CG 4.46Å; L81-L85 HydrophobicContact CG-CD1 4.27Å; L81-L85 VanDerWaalsContact O-CG 3.32Å; L81-L85 WeakPolarHBondContact O-CG 3.37Å; L81-L85 PolarHBondContact O-N 2.85Å
82L95.1Very high91.1Very high123 Ų12351.1 Ų51.164%0.64428%0.279SS*.Hα-helixtrans-61.6-44179.1-68.5175.1000111.7S78 V79 F84 L85 G86S78-L82 WeakPolarHBondContact O-CG 3.37Å; S78-L82 PolarHBondContact O-N 3.22Å; V79-L82 PolarHBondContact O-N 3.43Å; L82-F84 VanDerWaalsContact C-N 3.34Å; L82-L85 PolarHBondContact O-N 2.96Å; L82-G86 PolarHBondContact O-N 3.34Å
83V93.3Very high89.6Confident33 Ų3354.7 Ų54.720%0.229%0.292CS..Hα-helixtrans-61.1-45.6174.5169.70000110.1V79 L81 L85 G86 Q87 F99 T100V79-V83 HydrophobicContact CG1-CG2 4.11Å; V79-V83 WeakPolarHBondContact O-CB 3.32Å; V79-V83 WeakPolarHBondContact O-CG2 3.5Å; V79-V83 PolarHBondContact O-N 3.38Å; L81-V83 VanDerWaalsContact C-N 3.35Å; L81-V83 PolarHBondContact O-N 3.06Å; V83-L85 PolarHBondContact O-N 3.39Å; V83-G86 PolarHBondContact O-N 2.88Å; V83-Q87 HydrophobicContact CG1-CG 4.19Å; V83-Q87 VanDerWaalsContact CG1-NE2 3.28Å; V83-Q87 WeakPolarHBondContact O-CB 3.28Å; V83-Q87 VanDerWaalsContact O-CG 3.23Å; V83-Q87 WeakPolarHBondContact O-CG 3.49Å; V83-Q87 PolarHBondContact O-N 2.94Å; V83-F99 HydrophobicContact CB-CD1 4.35Å; V83-F99 HydrophobicContact CG1-CD1 3.68Å; V83-F99 HydrophobicContact CG1-CE1 4.4Å; V83-F99 HydrophobicContact CG2-CD1 3.83Å; V83-F99 HydrophobicContact CG2-CE1 3.69Å; V83-T100 VanDerWaalsContact CG1-OG1 3.27Å; V83-T100 WeakPolarHBondContact CG1-OG1 3.1Å
84F92.2Very high87.8Confident0 Ų056.2 Ų56.20%031%0.307CS..Hα-helixtrans-59-48.4179.3175.1-117.7000111.5L5 T9 S80 L81 L82 G86 Q87 L88 F97 T100 Y158L5-F84 HydrophobicContact CD1-CE2 3.91Å; L5-F84 HydrophobicContact CD1-CZ 3.6Å; L5-F84 HydrophobicContact CG-CZ 4.32Å; T9-F84 HydrophobicContact CG2-CE1 4.34Å; T9-F84 WeakPolarHBondContact OG1-CE1 3.44Å; S80-F84 VanDerWaalsContact O-CB 3.26Å; S80-F84 WeakPolarHBondContact O-CB 3.36Å; S80-F84 PolarHBondContact O-N 3.22Å; L81-F84 WeakPolarHBondContact O-CB 3.32Å; L81-F84 PolarHBondContact O-N 2.92Å; L82-F84 VanDerWaalsContact C-N 3.34Å; F84-G86 PolarHBondContact O-N 2.93Å; F84-Q87 PolarHBondContact O-N 3.49Å; F84-Q87 VanDerWaalsContact O-N 3.16Å; F84-L88 HydrophobicContact CD1-CD1 4.27Å; F84-L88 HydrophobicContact CE1-CD1 3.76Å; F84-L88 HydrophobicContact CE1-CG 4.48Å; F84-L88 HydrophobicContact CE2-CD1 4.3Å; F84-L88 HydrophobicContact CE2-CD2 4.19Å; F84-L88 HydrophobicContact CE2-CG 4.2Å; F84-L88 HydrophobicContact CZ-CD1 3.78Å; F84-L88 HydrophobicContact CZ-CD2 4.24Å; F84-L88 HydrophobicContact CZ-CG 4.17Å; F84-L88 WeakPolarHBondContact O-CG 3.29Å; F84-L88 PolarHBondContact O-N 3.38Å; F84-F97 AromaticContact CD2-CD1 3.56Å; F84-F97 HydrophobicContact CD2-CD1 3.56Å; F84-F97 AromaticContact CD2-CE1 3.7Å; F84-F97 HydrophobicContact CD2-CE1 3.7Å; F84-F97 HydrophobicContact CD2-CG 4.39Å; F84-F97 AromaticContact CE2-CD1 3.92Å; F84-F97 HydrophobicContact CE2-CD1 3.92Å; F84-F97 AromaticContact CE2-CE1 3.73Å; F84-F97 HydrophobicContact CE2-CE1 3.73Å; F84-F97 HydrophobicContact CE2-CZ 4.21Å; F84-T100 HydrophobicContact CB-CG2 3.73Å; F84-T100 HydrophobicContact CD2-CG2 4.39Å; F84-T100 HydrophobicContact CG-CG2 4.36Å; F84-T100 PolarHBondContact N-OG1 3.36Å; F84-Y158 HydrophobicContact CB-CE1 4.47Å; F84-Y158 HydrophobicContact CD1-CE1 4.16Å; F84-Y158 AromaticContact CD2-CD1 3.95Å; F84-Y158 HydrophobicContact CD2-CD1 3.95Å; F84-Y158 AromaticContact CD2-CE1 3.35Å; F84-Y158 HydrophobicContact CD2-CE1 3.35Å; F84-Y158 HydrophobicContact CE1-CE1 4.23Å; F84-Y158 HydrophobicContact CE2-CD1 4.11Å; F84-Y158 AromaticContact CE2-CE1 3.46Å; F84-Y158 HydrophobicContact CE2-CE1 3.46Å; F84-Y158 VanDerWaalsContact CE2-CE1 3.46Å; F84-Y158 AromaticContact CG-CE1 3.73Å; F84-Y158 HydrophobicContact CG-CE1 3.73Å; F84-Y158 AromaticContact CZ-CE1 3.89Å; F84-Y158 HydrophobicContact CZ-CE1 3.89Å
85L90.5Very high86.5Confident76 Ų7662.1 Ų62.140%0.39833%0.328SS..Hα-helixtrans-60-44.1175.7-67.9174.8000111.7L81 L82 V83 Q87 L88 I89L81-L85 HydrophobicContact CD1-CG 4.46Å; L81-L85 HydrophobicContact CG-CD1 4.27Å; L81-L85 VanDerWaalsContact O-CG 3.32Å; L81-L85 WeakPolarHBondContact O-CG 3.37Å; L81-L85 PolarHBondContact O-N 2.85Å; L82-L85 PolarHBondContact O-N 2.96Å; V83-L85 PolarHBondContact O-N 3.39Å; L85-Q87 VanDerWaalsContact C-N 3.33Å; L85-Q87 PolarHBondContact O-N 3.43Å; L85-L88 HydrophobicContact CD2-CD1 4.49Å; L85-L88 WeakPolarHBondContact O-CB 3.46Å; L85-L88 PolarHBondContact O-N 3.4Å; L85-I89 PolarHBondContact O-N 2.95Å
86G88.6Confident85.2Confident24 Ų2461.2 Ų61.225%0.24732%0.32CS..Hα-helixtrans-60.8-41174.100000112.5L82 V83 F84 L88 I89 F90L82-G86 PolarHBondContact O-N 3.34Å; V83-G86 PolarHBondContact O-N 2.88Å; F84-G86 PolarHBondContact O-N 2.93Å; G86-L88 VanDerWaalsContact C-N 3.3Å; G86-L88 PolarHBondContact O-N 2.88Å; G86-I89 PolarHBondContact O-N 3.48Å; G86-F90 WeakPolarHBondContact O-CB 3.46Å; G86-F90 VanDerWaalsContact O-CD2 3.31Å; G86-F90 WeakPolarHBondContact O-CD2 3.28Å; G86-F90 PolarHBondContact O-N 3.43Å
87Q87.9Confident84.6Confident22 Ų2258.7 Ų58.710%0.10331%0.309CS..Hα-helixtrans-68.7-28.2177.3-71.3179.54.400112.5V83 F84 L85 L91 F97 T100 K163V83-Q87 HydrophobicContact CG1-CG 4.19Å; V83-Q87 VanDerWaalsContact CG1-NE2 3.28Å; V83-Q87 WeakPolarHBondContact O-CB 3.28Å; V83-Q87 VanDerWaalsContact O-CG 3.23Å; V83-Q87 WeakPolarHBondContact O-CG 3.49Å; V83-Q87 PolarHBondContact O-N 2.94Å; F84-Q87 PolarHBondContact O-N 3.49Å; F84-Q87 VanDerWaalsContact O-N 3.16Å; L85-Q87 VanDerWaalsContact C-N 3.33Å; L85-Q87 PolarHBondContact O-N 3.43Å; Q87-L91 HydrophobicContact CB-CB 4.34Å; Q87-L91 HydrophobicContact CB-CD2 4.05Å; Q87-L91 HydrophobicContact CG-CD1 4.1Å; Q87-L91 HydrophobicContact CG-CD2 3.95Å; Q87-L91 HydrophobicContact CG-CG 4.5Å; Q87-L91 WeakPolarHBondContact O-CB 3.26Å; Q87-L91 PolarHBondContact O-N 2.96Å; Q87-F97 HydrophobicContact CB-CD1 3.81Å; Q87-F97 HydrophobicContact CB-CE1 3.67Å; Q87-T100 PolarHBondContact OE1-OG1 3.4Å; Q87-K163 PolarHBondContact O-NZ 3.25Å
88L84.3Confident84.1Confident56 Ų5665.2 Ų65.229%0.29334%0.335SS..Hα-helixtrans-65.5-44.6172.2-70.7177.1000111.7L5 F84 L85 G86 F97 K163L5-L88 HydrophobicContact CD1-CD2 4.09Å; L5-L88 HydrophobicContact CD2-CD2 3.85Å; L5-L88 HydrophobicContact CG-CD2 4.46Å; F84-L88 HydrophobicContact CD1-CD1 4.27Å; F84-L88 HydrophobicContact CE1-CD1 3.76Å; F84-L88 HydrophobicContact CE1-CG 4.48Å; F84-L88 HydrophobicContact CE2-CD1 4.3Å; F84-L88 HydrophobicContact CE2-CD2 4.19Å; F84-L88 HydrophobicContact CE2-CG 4.2Å; F84-L88 HydrophobicContact CZ-CD1 3.78Å; F84-L88 HydrophobicContact CZ-CD2 4.24Å; F84-L88 HydrophobicContact CZ-CG 4.17Å; F84-L88 WeakPolarHBondContact O-CG 3.29Å; F84-L88 PolarHBondContact O-N 3.38Å; L85-L88 HydrophobicContact CD2-CD1 4.49Å; L85-L88 WeakPolarHBondContact O-CB 3.46Å; L85-L88 PolarHBondContact O-N 3.4Å; G86-L88 VanDerWaalsContact C-N 3.3Å; G86-L88 PolarHBondContact O-N 2.88Å; L88-F97 HydrophobicContact CD2-CE1 4.27Å; L88-F97 HydrophobicContact CD2-CZ 4.16Å; L88-K163 PolarHBondContact O-NZ 3.23Å
89I82.7Confident83.7Confident131 Ų13168.9 Ų68.967%0.67235%0.346SS*.Hα-helixtrans-81-51.4-175.2-59.3169.4000111.9L85 G86L85-I89 PolarHBondContact O-N 2.95Å; G86-I89 PolarHBondContact O-N 3.48Å
90F79.2Confident83.6Confident172 Ų17266.2 Ų66.275%0.75433%0.33SS*.Hα-helixtrans-96.7-22.1-165.7-62.3-72000114.7G86G86-F90 WeakPolarHBondContact O-CB 3.46Å; G86-F90 VanDerWaalsContact O-CD2 3.31Å; G86-F90 WeakPolarHBondContact O-CD2 3.28Å; G86-F90 PolarHBondContact O-N 3.43Å
91L72.2Confident83.5Confident27 Ų2766.2 Ų66.214%0.14133%0.331CS..PPolyproline II helixtrans-78.1133.6-171.1-131.570.3000111.8Q87 R95 K163Q87-L91 HydrophobicContact CB-CB 4.34Å; Q87-L91 HydrophobicContact CB-CD2 4.05Å; Q87-L91 HydrophobicContact CG-CD1 4.1Å; Q87-L91 HydrophobicContact CG-CD2 3.95Å; Q87-L91 HydrophobicContact CG-CG 4.5Å; Q87-L91 WeakPolarHBondContact O-CB 3.26Å; Q87-L91 PolarHBondContact O-N 2.96Å; L91-R95 HydrophobicContact CD2-CB 3.42Å; L91-R95 VanDerWaalsContact CD2-CB 3.42Å; L91-R95 HydrophobicContact CD2-CG 4.33Å; L91-R95 HydrophobicContact CG-CB 4.03Å; L91-K163 PolarHBondContact O-NZ 2.75Å
92S68.8Low83.5Confident79 Ų7969.4 Ų69.455%0.55235%0.347SS*.PPolyproline II helixtrans-62.5152.9172.155.70000111.8
93K66.6Low83.6Confident147 Ų14763.8 Ų63.864%0.63932%0.318SS*.THydrogen-bonded Turntrans-54.5138.6-178.8-57.4177.5-178.2-139.40110.3Q165K93-Q165 WeakPolarHBondContact CD-OXT 3.4Å; K93-Q165 WeakPolarHBondContact CE-OXT 3.43Å; K93-Q165 WeakPolarHBondContact CG-OXT 3.36Å; K93-Q165 PolarHBondContact NZ-OXT 3.29Å
94G61.8Low83.8Confident31 Ų3162.2 Ų62.232%0.3231%0.309SS..THydrogen-bonded Turntrans96.7-7.8172.500000116.9K163G94-K163 WeakPolarHBondContact CA-O 3.11Å; G94-K163 PolarHBondContact N-O 3.25Å
95R69.5Low84Confident141 Ų14163.3 Ų63.353%0.53232%0.318SS..  trans-80.5150.5175.2-74.8-177.564.9-173.63.6112.4L91 K163L91-R95 HydrophobicContact CD2-CB 3.42Å; L91-R95 VanDerWaalsContact CD2-CB 3.42Å; L91-R95 HydrophobicContact CD2-CG 4.33Å; L91-R95 HydrophobicContact CG-CB 4.03Å; R95-K163 WeakPolarHBondContact O-CB 3.42Å; R95-K163 PolarHBondContact O-N 2.86Å
96L72.6Confident84.4Confident54 Ų5464.3 Ų64.328%0.28332%0.319SS..BIsolated β-bridgetrans-98.8152.6-178-70.3154.1000110.3Y98 L161 R162L96-Y98 VanDerWaalsContact C-N 3.26Å; L96-Y98 HydrophobicContact CB-CD2 3.58Å; L96-Y98 HydrophobicContact CB-CE2 3.45Å; L96-Y98 VanDerWaalsContact CB-CE2 3.45Å; L96-Y98 HydrophobicContact CB-CG 4.42Å; L96-Y98 HydrophobicContact CD1-CD2 4.36Å; L96-Y98 HydrophobicContact CD1-CE2 3.36Å; L96-Y98 WeakPolarHBondContact CD1-OH 3.18Å; L96-Y98 HydrophobicContact CG-CE2 4Å; L96-Y98 PolarHBondContact O-N 3.42Å; L96-L161 WeakPolarHBondContact CD2-O 3.5Å; L96-R162 HydrophobicContact CD2-CB 3.77Å; L96-R162 HydrophobicContact CD2-CG 4.02Å; L96-R162 HydrophobicContact CG-CG 4.44Å
97F85.5Confident84.8Confident5 Ų563.2 Ų63.22%0.02231%0.308CS..  trans-89.644.4-176.6-56.5-99.3000112.4F84 Q87 L88 F99 T100 G101 Y158 L161 K163F84-F97 AromaticContact CD2-CD1 3.56Å; F84-F97 HydrophobicContact CD2-CD1 3.56Å; F84-F97 AromaticContact CD2-CE1 3.7Å; F84-F97 HydrophobicContact CD2-CE1 3.7Å; F84-F97 HydrophobicContact CD2-CG 4.39Å; F84-F97 AromaticContact CE2-CD1 3.92Å; F84-F97 HydrophobicContact CE2-CD1 3.92Å; F84-F97 AromaticContact CE2-CE1 3.73Å; F84-F97 HydrophobicContact CE2-CE1 3.73Å; F84-F97 HydrophobicContact CE2-CZ 4.21Å; Q87-F97 HydrophobicContact CB-CD1 3.81Å; Q87-F97 HydrophobicContact CB-CE1 3.67Å; L88-F97 HydrophobicContact CD2-CE1 4.27Å; L88-F97 HydrophobicContact CD2-CZ 4.16Å; F97-F99 PolarHBondContact O-N 2.86Å; F97-T100 PolarHBondContact O-N 3.32Å; F97-G101 PolarHBondContact O-N 2.94Å; F97-Y158 HydrophobicContact CB-CD1 4.34Å; F97-Y158 WeakPolarHBondContact CB-O 3.1Å; F97-L161 HydrophobicContact CD2-CB 3.94Å; F97-L161 WeakPolarHBondContact CD2-O 3.47Å; F97-L161 HydrophobicContact CE2-CB 4.33Å; F97-K163 HydrophobicContact CE2-CB 4.35Å; F97-K163 HydrophobicContact CZ-CB 4.48Å
98Y86.8Confident85.3Confident137 Ų13762.1 Ų62.154%0.53730%0.303SS..Hα-helixtrans-58.7-46.4-174.9-75.6-69.9000113.6L96 G101 L102 V159L96-Y98 VanDerWaalsContact C-N 3.26Å; L96-Y98 HydrophobicContact CB-CD2 3.58Å; L96-Y98 HydrophobicContact CB-CE2 3.45Å; L96-Y98 VanDerWaalsContact CB-CE2 3.45Å; L96-Y98 HydrophobicContact CB-CG 4.42Å; L96-Y98 HydrophobicContact CD1-CD2 4.36Å; L96-Y98 HydrophobicContact CD1-CE2 3.36Å; L96-Y98 WeakPolarHBondContact CD1-OH 3.18Å; L96-Y98 HydrophobicContact CG-CE2 4Å; L96-Y98 PolarHBondContact O-N 3.42Å; Y98-G101 PolarHBondContact O-N 3.08Å; Y98-L102 WeakPolarHBondContact O-CB 3.36Å; Y98-L102 PolarHBondContact O-N 2.97Å; Y98-V159 HydrophobicContact CD1-CG1 3.84Å; Y98-V159 HydrophobicContact CD1-CG2 4.37Å; Y98-V159 HydrophobicContact CE1-CG1 3.66Å
99F91.2Very high86Confident110 Ų11065.1 Ų65.148%0.48231%0.314SS..Hα-helixtrans-66.6-41.7-177.9-174.7-117.3000111.7V83 F97 L102 C103V83-F99 HydrophobicContact CB-CD1 4.35Å; V83-F99 HydrophobicContact CG1-CD1 3.68Å; V83-F99 HydrophobicContact CG1-CE1 4.4Å; V83-F99 HydrophobicContact CG2-CD1 3.83Å; V83-F99 HydrophobicContact CG2-CE1 3.69Å; F97-F99 PolarHBondContact O-N 2.86Å; F99-L102 PolarHBondContact O-N 3.27Å; F99-C103 PolarHBondContact O-N 3.46Å; F99-C103 PolarHBondContact O-SG 2.98Å
100T94.3Very high86.7Confident0 Ų059.7 Ų59.70%029%0.286CS..Hα-helixtrans-56-52.7170.6-63.80000110.8S80 V83 F84 Q87 F97 L102 C103 Q104 Y158S80-T100 WeakPolarHBondContact OG-CG2 3.36Å; S80-T100 PolarHBondContact OG-O 2.99Å; V83-T100 VanDerWaalsContact CG1-OG1 3.27Å; V83-T100 WeakPolarHBondContact CG1-OG1 3.1Å; F84-T100 HydrophobicContact CB-CG2 3.73Å; F84-T100 HydrophobicContact CD2-CG2 4.39Å; F84-T100 HydrophobicContact CG-CG2 4.36Å; F84-T100 PolarHBondContact N-OG1 3.36Å; Q87-T100 PolarHBondContact OE1-OG1 3.4Å; F97-T100 PolarHBondContact O-N 3.32Å; T100-L102 VanDerWaalsContact C-N 3.3Å; T100-L102 PolarHBondContact O-N 3.01Å; T100-C103 PolarHBondContact O-N 3.19Å; T100-Q104 WeakPolarHBondContact O-CB 3.49Å; T100-Q104 PolarHBondContact O-N 3.23Å; T100-Y158 HydrophobicContact CG2-CD1 3.65Å; T100-Y158 HydrophobicContact CG2-CD2 3.64Å; T100-Y158 HydrophobicContact CG2-CE1 3.83Å; T100-Y158 HydrophobicContact CG2-CE2 3.79Å; T100-Y158 HydrophobicContact CG2-CG 3.56Å
101G94.3Very high87.7Confident1 Ų151.5 Ų51.51%0.0125%0.25CS..Hα-helixtrans-60.8-37.7-179.300000113.5F97 Y98 Q104 A105 G155F97-G101 PolarHBondContact O-N 2.94Å; Y98-G101 PolarHBondContact O-N 3.08Å; G101-Q104 PolarHBondContact O-N 2.97Å; G101-A105 WeakPolarHBondContact O-CB 3.26Å; G101-A105 PolarHBondContact O-N 3.34Å; G101-G155 WeakPolarHBondContact CA-O 3.4Å
102L95.5Very high88.9Confident88 Ų8853.9 Ų53.946%0.46126%0.26SS..Hα-helixtrans-65.2-48.2176.2-178.364.4000112.1Y98 F99 T100 Q104 A105 F106Y98-L102 WeakPolarHBondContact O-CB 3.36Å; Y98-L102 PolarHBondContact O-N 2.97Å; F99-L102 PolarHBondContact O-N 3.27Å; T100-L102 VanDerWaalsContact C-N 3.3Å; T100-L102 PolarHBondContact O-N 3.01Å; L102-Q104 VanDerWaalsContact C-N 3.29Å; L102-Q104 PolarHBondContact O-N 3.27Å; L102-A105 PolarHBondContact O-N 2.94Å; L102-F106 HydrophobicContact CD1-CD2 4.08Å; L102-F106 HydrophobicContact CD1-CE2 3.6Å; L102-F106 HydrophobicContact CD1-CZ 4.25Å; L102-F106 HydrophobicContact CD2-CE2 4.22Å; L102-F106 HydrophobicContact CG-CD2 3.97Å; L102-F106 HydrophobicContact CG-CE2 3.71Å; L102-F106 WeakPolarHBondContact O-CD2 3.47Å; L102-F106 PolarHBondContact O-N 3.49Å
103C97.3Very high90.3Very high6 Ų651.7 Ų51.74%0.04125%0.247CC..Hα-helixtrans-59.9-41.8174.9-700000111.2F99 T100 A105 F106 A107F99-C103 PolarHBondContact O-N 3.46Å; F99-C103 PolarHBondContact O-SG 2.98Å; T100-C103 PolarHBondContact O-N 3.19Å; C103-A105 VanDerWaalsContact C-N 3.34Å; C103-A105 PolarHBondContact O-N 2.91Å; C103-F106 PolarHBondContact O-N 2.89Å; C103-A107 PolarHBondContact O-N 2.91Å
104Q97.4Very high91.7Very high0 Ų044.7 Ų44.70%022%0.216CC..Hα-helixtrans-62.9-40.2177.1-157.668.610.900112.7H12 S77 S80 T100 G101 L102 A107 G108 L151 Y158H12-Q104 PolarHBondContact CD2-NE2 3.44Å; H12-Q104 PolarHBondContact CE1-OE1 3.35Å; H12-Q104 PolarHBondContact NE2-NE2 3.48Å; H12-Q104 PolarHBondContact NE2-OE1 2.98Å; H12-Q104 VanDerWaalsContact NE2-OE1 3.08Å; S77-Q104 PolarHBondContact OG-NE2 3.45Å; S80-Q104 PolarHBondContact OG-OE1 3.4Å; T100-Q104 WeakPolarHBondContact O-CB 3.49Å; T100-Q104 PolarHBondContact O-N 3.23Å; G101-Q104 PolarHBondContact O-N 2.97Å; L102-Q104 VanDerWaalsContact C-N 3.29Å; L102-Q104 PolarHBondContact O-N 3.27Å; Q104-A107 WeakPolarHBondContact O-CB 3.3Å; Q104-A107 PolarHBondContact O-N 3.36Å; Q104-G108 PolarHBondContact O-N 2.92Å; Q104-G108 VanDerWaalsContact O-N 3.13Å; Q104-L151 WeakPolarHBondContact CG-O 3.34Å; Q104-Y158 HydrophobicContact CB-CD2 4.36Å; Q104-Y158 HydrophobicContact CG-CD2 4.4Å; Q104-Y158 HydrophobicContact CG-CE2 4.43Å
105A97.3Very high93.3Very high23 Ų2343.3 Ų43.319%0.1920%0.201CC..Hα-helixtrans-65.3-43.6176.500000111.4G101 L102 C103 A107 G108 F109G101-A105 WeakPolarHBondContact O-CB 3.26Å; G101-A105 PolarHBondContact O-N 3.34Å; L102-A105 PolarHBondContact O-N 2.94Å; C103-A105 VanDerWaalsContact C-N 3.34Å; C103-A105 PolarHBondContact O-N 2.91Å; A105-A107 VanDerWaalsContact C-N 3.32Å; A105-A107 PolarHBondContact O-N 3.45Å; A105-G108 PolarHBondContact O-N 3.3Å; A105-G108 VanDerWaalsContact O-N 3.17Å; A105-F109 HydrophobicContact CB-CE2 4.24Å; A105-F109 WeakPolarHBondContact O-CD2 3.49Å; A105-F109 PolarHBondContact O-N 3.5Å
106F98.1Very high94.5Very high97 Ų9739.1 Ų39.143%0.42519%0.189SC..Hα-helixtrans-60.1-41.1174.8-80.8-55000112.4F76 L102 C103 G108 F109 T110F76-F106 HydrophobicContact CD1-CB 4.42Å; F76-F106 HydrophobicContact CD2-CB 3.87Å; F76-F106 HydrophobicContact CE2-CB 4.03Å; F76-F106 HydrophobicContact CG-CB 4.09Å; F76-F106 HydrophobicContact CZ-CB 4.4Å; L102-F106 HydrophobicContact CD1-CD2 4.08Å; L102-F106 HydrophobicContact CD1-CE2 3.6Å; L102-F106 HydrophobicContact CD1-CZ 4.25Å; L102-F106 HydrophobicContact CD2-CE2 4.22Å; L102-F106 HydrophobicContact CG-CD2 3.97Å; L102-F106 HydrophobicContact CG-CE2 3.71Å; L102-F106 WeakPolarHBondContact O-CD2 3.47Å; L102-F106 PolarHBondContact O-N 3.49Å; C103-F106 PolarHBondContact O-N 2.89Å; F106-G108 VanDerWaalsContact C-N 3.33Å; F106-G108 PolarHBondContact O-N 3.06Å; F106-F109 PolarHBondContact O-N 3.4Å; F106-T110 WeakPolarHBondContact O-CG2 3.26Å; F106-T110 PolarHBondContact O-N 3.27Å; F106-T110 PolarHBondContact O-OG1 3.09Å
107A98.4Very high95.6Very high0 Ų038.7 Ų38.70%019%0.187CC..Hα-helixtrans-55.8-48.9173.400000111.6S73 F76 C103 Q104 A105 F109 T110 D111 L151S73-A107 WeakPolarHBondContact O-CB 3.35Å; S73-A107 PolarHBondContact OG-O 2.91Å; F76-A107 HydrophobicContact CB-CB 3.85Å; C103-A107 PolarHBondContact O-N 2.91Å; Q104-A107 WeakPolarHBondContact O-CB 3.3Å; Q104-A107 PolarHBondContact O-N 3.36Å; A105-A107 VanDerWaalsContact C-N 3.32Å; A105-A107 PolarHBondContact O-N 3.45Å; A107-F109 PolarHBondContact O-N 2.94Å; A107-T110 WeakPolarHBondContact CA-OG1 3.35Å; A107-T110 PolarHBondContact O-N 3.36Å; A107-T110 PolarHBondContact O-OG1 3.43Å; A107-D111 WeakPolarHBondContact O-CB 3.43Å; A107-D111 PolarHBondContact O-N 2.94Å; A107-L151 HydrophobicContact CB-CD2 4.48Å
108G98.3Very high95.8Very high0 Ų038.8 Ų38.80%019%0.187CC..Hα-helixtrans-60-41.3176.900000113.7Q104 A105 F106 F112Q104-G108 PolarHBondContact O-N 2.92Å; Q104-G108 VanDerWaalsContact O-N 3.13Å; A105-G108 PolarHBondContact O-N 3.3Å; A105-G108 VanDerWaalsContact O-N 3.17Å; F106-G108 VanDerWaalsContact C-N 3.33Å; F106-G108 PolarHBondContact O-N 3.06Å; G108-F112 VanDerWaalsContact O-CB 3.25Å; G108-F112 WeakPolarHBondContact O-CB 3.4Å; G108-F112 PolarHBondContact O-N 3.27Å
109F98.3Very high95.9Very high119 Ų11934.4 Ų34.452%0.52218%0.175SC..Hα-helixtrans-69-39177.7-70.6-56.2000113A105 F106 A107 F112 A113 L152A105-F109 HydrophobicContact CB-CE2 4.24Å; A105-F109 WeakPolarHBondContact O-CD2 3.49Å; A105-F109 PolarHBondContact O-N 3.5Å; F106-F109 PolarHBondContact O-N 3.4Å; A107-F109 PolarHBondContact O-N 2.94Å; F109-F112 PolarHBondContact O-N 3.39Å; F109-A113 WeakPolarHBondContact O-CB 3.46Å; F109-A113 PolarHBondContact O-N 2.92Å; F109-L152 HydrophobicContact CD1-CD2 4.26Å; F109-L152 HydrophobicContact CD2-CD2 4.38Å; F109-L152 HydrophobicContact CE1-CD2 4.08Å; F109-L152 HydrophobicContact CE2-CD2 4.2Å; F109-L152 HydrophobicContact CG-CD2 4.4Å; F109-L152 HydrophobicContact CZ-CD2 4.04Å
110T98.3Very high95.7Very high16 Ų1636.6 Ų36.610%0.09818%0.184CC..Hα-helixtrans-68-41.217748.40000111.8L69 L72 S73 F106 A107 A113 A114L69-T110 HydrophobicContact CD2-CG2 4.21Å; L72-T110 HydrophobicContact CB-CG2 4.39Å; L72-T110 HydrophobicContact CD2-CG2 3.7Å; L72-T110 HydrophobicContact CG-CG2 3.98Å; S73-T110 VanDerWaalsContact CA-OG1 3.28Å; S73-T110 WeakPolarHBondContact CA-OG1 3.32Å; S73-T110 WeakPolarHBondContact CB-OG1 3.31Å; S73-T110 PolarHBondContact N-OG1 3.5Å; F106-T110 WeakPolarHBondContact O-CG2 3.26Å; F106-T110 PolarHBondContact O-N 3.27Å; F106-T110 PolarHBondContact O-OG1 3.09Å; A107-T110 WeakPolarHBondContact CA-OG1 3.35Å; A107-T110 PolarHBondContact O-N 3.36Å; A107-T110 PolarHBondContact O-OG1 3.43Å; T110-A113 PolarHBondContact O-N 3.45Å; T110-A114 PolarHBondContact O-N 2.82Å
111D98.3Very high95.3Very high0 Ų039.6 Ų39.60%020%0.198CC..Hα-helixtrans-62.7-44.1173.9-175.237.8000111.6L19 A107 A113 A114 C115 C147 V148 L151L19-D111 HydrophobicContact CD2-CB 4.19Å; A107-D111 WeakPolarHBondContact O-CB 3.43Å; A107-D111 PolarHBondContact O-N 2.94Å; D111-A113 PolarHBondContact O-N 3.35Å; D111-A114 WeakPolarHBondContact O-CB 3.45Å; D111-A114 PolarHBondContact O-N 2.96Å; D111-C115 WeakPolarHBondContact O-CB 3.4Å; D111-C115 PolarHBondContact O-N 2.85Å; D111-C115 PolarHBondContact O-SG 3.3Å; D111-C147 VanDerWaalsContact OD2-CB 3.23Å; D111-C147 WeakPolarHBondContact OD2-CB 3.4Å; D111-V148 HydrophobicContact CB-CG2 4.28Å; D111-V148 WeakPolarHBondContact OD2-CG2 3.32Å; D111-V148 PolarHBondContact OD2-N 3.3Å; D111-L151 HydrophobicContact CB-CD1 4.22Å
112F98.2Very high94.3Very high78 Ų7844.5 Ų44.534%0.34222%0.216SC..Hα-helixtrans-60.9-43.6175.7-178.9-120.1000112.2G108 F109 C115 L116 W145 V148G108-F112 VanDerWaalsContact O-CB 3.25Å; G108-F112 WeakPolarHBondContact O-CB 3.4Å; G108-F112 PolarHBondContact O-N 3.27Å; F109-F112 PolarHBondContact O-N 3.39Å; F112-C115 PolarHBondContact O-N 2.71Å; F112-L116 HydrophobicContact CD1-CD1 4.01Å; F112-L116 HydrophobicContact CD2-CG 4.38Å; F112-L116 HydrophobicContact CE1-CD1 3.54Å; F112-L116 HydrophobicContact CE1-CG 4.36Å; F112-L116 HydrophobicContact CE2-CD1 4.12Å; F112-L116 HydrophobicContact CE2-CD2 4.24Å; F112-L116 HydrophobicContact CE2-CG 4.08Å; F112-L116 HydrophobicContact CG-CD1 4.49Å; F112-L116 HydrophobicContact CZ-CD1 3.61Å; F112-L116 HydrophobicContact CZ-CD2 4.28Å; F112-L116 HydrophobicContact CZ-CG 4.08Å; F112-L116 WeakPolarHBondContact O-CG 3.46Å; F112-L116 PolarHBondContact O-N 3.42Å; F112-W145 AromaticContact CD2-CH2 3.98Å; F112-W145 HydrophobicContact CD2-CH2 3.98Å; F112-W145 AromaticContact CD2-CZ3 3.72Å; F112-W145 HydrophobicContact CD2-CZ3 3.72Å; F112-W145 AromaticContact CE2-CH2 3.62Å; F112-W145 HydrophobicContact CE2-CH2 3.62Å; F112-W145 AromaticContact CE2-CZ3 3.54Å; F112-W145 HydrophobicContact CE2-CZ3 3.54Å; F112-V148 HydrophobicContact CB-CG1 3.83Å; F112-V148 HydrophobicContact CB-CG2 3.86Å; F112-V148 HydrophobicContact CD2-CG1 3.91Å; F112-V148 HydrophobicContact CD2-CG2 4.31Å; F112-V148 HydrophobicContact CG-CG1 4.14Å
113A97.9Very high92.9Very high33 Ų3347.8 Ų47.827%0.27323%0.227SC..Hα-helixtrans-62.5-43.6175.500000111.8L69 F109 T110 D111 L116 I117L69-A113 HydrophobicContact CD1-CB 3.91Å; L69-A113 HydrophobicContact CD2-CB 4.42Å; F109-A113 WeakPolarHBondContact O-CB 3.46Å; F109-A113 PolarHBondContact O-N 2.92Å; T110-A113 PolarHBondContact O-N 3.45Å; D111-A113 PolarHBondContact O-N 3.35Å; A113-L116 PolarHBondContact O-N 2.93Å; A113-I117 VanDerWaalsContact O-CG1 3.28Å; A113-I117 WeakPolarHBondContact O-CG1 3.4Å; A113-I117 PolarHBondContact O-N 3.16Å
114A96.4Very high91.4Very high0 Ų051.3 Ų51.30%024%0.243CC..Hα-helixtrans-58.7-49.1175.500000111.4V66 L69 M70 T110 D111 L116 I117 F118V66-A114 HydrophobicContact CG1-CB 4.21Å; L69-A114 HydrophobicContact CB-CB 3.76Å; L69-A114 HydrophobicContact CD1-CB 4.44Å; M70-A114 HydrophobicContact CG-CB 3.99Å; M70-A114 HydrophobicContact SD-CB 3.67Å; T110-A114 PolarHBondContact O-N 2.82Å; D111-A114 WeakPolarHBondContact O-CB 3.45Å; D111-A114 PolarHBondContact O-N 2.96Å; A114-L116 PolarHBondContact O-N 3.27Å; A114-I117 PolarHBondContact O-N 3.42Å; A114-F118 WeakPolarHBondContact O-CB 3.34Å; A114-F118 PolarHBondContact O-N 2.88Å
115C95.2Very high89.8Confident1 Ų152.7 Ų52.71%0.00725%0.25CC..Hα-helixtrans-57.7-46177.1-72.20000112D111 F112 T119 A144 W145D111-C115 WeakPolarHBondContact O-CB 3.4Å; D111-C115 PolarHBondContact O-N 2.85Å; D111-C115 PolarHBondContact O-SG 3.3Å; F112-C115 PolarHBondContact O-N 2.71Å; C115-T119 VanDerWaalsContact O-CB 3.29Å; C115-T119 WeakPolarHBondContact O-CB 3.48Å; C115-T119 PolarHBondContact O-N 2.99Å; C115-T119 PolarHBondContact O-OG1 3.07Å; C115-A144 WeakPolarHBondContact SG-CB 3.3Å; C115-W145 HydrophobicContact CB-CD2 4.05Å; C115-W145 HydrophobicContact CB-CG 4.43Å; C115-W145 HydrophobicContact CB-CH2 4.47Å; C115-W145 HydrophobicContact CB-CZ2 3.88Å
116L95.7Very high88Confident53 Ų5352.7 Ų52.728%0.27725%0.247SC..Hα-helixtrans-63.4-50.3178.6-74.9178.7000111.8F112 A113 A114 F118 T119 F120 W145F112-L116 HydrophobicContact CD1-CD1 4.01Å; F112-L116 HydrophobicContact CD2-CG 4.38Å; F112-L116 HydrophobicContact CE1-CD1 3.54Å; F112-L116 HydrophobicContact CE1-CG 4.36Å; F112-L116 HydrophobicContact CE2-CD1 4.12Å; F112-L116 HydrophobicContact CE2-CD2 4.24Å; F112-L116 HydrophobicContact CE2-CG 4.08Å; F112-L116 HydrophobicContact CG-CD1 4.49Å; F112-L116 HydrophobicContact CZ-CD1 3.61Å; F112-L116 HydrophobicContact CZ-CD2 4.28Å; F112-L116 HydrophobicContact CZ-CG 4.08Å; F112-L116 WeakPolarHBondContact O-CG 3.46Å; F112-L116 PolarHBondContact O-N 3.42Å; A113-L116 PolarHBondContact O-N 2.93Å; A114-L116 PolarHBondContact O-N 3.27Å; L116-F118 VanDerWaalsContact C-N 3.31Å; L116-F118 PolarHBondContact O-N 3.28Å; L116-T119 PolarHBondContact O-N 3.44Å; L116-F120 HydrophobicContact CB-CD2 4.24Å; L116-F120 HydrophobicContact CB-CE2 4.2Å; L116-F120 HydrophobicContact CD2-CE2 3.97Å; L116-F120 WeakPolarHBondContact O-CB 3.41Å; L116-F120 WeakPolarHBondContact O-CD2 3.37Å; L116-F120 PolarHBondContact O-N 3.2Å; L116-W145 HydrophobicContact CD2-CH2 3.78Å; L116-W145 HydrophobicContact CD2-CZ2 4.08Å; L116-W145 HydrophobicContact CG-CH2 4.33Å
117I94Very high86Confident46 Ų4652.3 Ų52.324%0.23626%0.256CS..Hα-helixtrans-57.5-48.1-179.4-68.2166.8000109.8W62 V66 L69 A113 A114 T119 F120 H121W62-I117 HydrophobicContact CB-CG2 4.31Å; V66-I117 HydrophobicContact CG2-CB 3.95Å; V66-I117 HydrophobicContact CG2-CG2 3.63Å; L69-I117 HydrophobicContact CD1-CD1 3.61Å; A113-I117 VanDerWaalsContact O-CG1 3.28Å; A113-I117 WeakPolarHBondContact O-CG1 3.4Å; A113-I117 PolarHBondContact O-N 3.16Å; A114-I117 PolarHBondContact O-N 3.42Å; I117-T119 PolarHBondContact O-N 3.25Å; I117-F120 PolarHBondContact O-N 2.74Å; I117-H121 WeakPolarHBondContact O-CB 3.47Å; I117-H121 PolarHBondContact O-N 3.49Å; I117-H121 PolarHBondContact O-ND1 2.97Å
118F90.8Very high84Confident6 Ų658.9 Ų58.93%0.02629%0.291CS..Hα-helixtrans-61-46178.2-170.2-89.8000112.2W28 W29 W62 V66 A114 L116 F120 H121 R122 I125 F137 V141W28-F118 HydrophobicContact CB-CE1 4.46Å; W28-F118 HydrophobicContact CB-CE2 4.16Å; W28-F118 HydrophobicContact CB-CZ 3.81Å; W28-F118 HydrophobicContact CD2-CE2 4.4Å; W28-F118 HydrophobicContact CE3-CB 4.23Å; W28-F118 AromaticContact CE3-CD1 3.74Å; W28-F118 HydrophobicContact CE3-CD1 3.74Å; W28-F118 AromaticContact CE3-CD2 3.43Å; W28-F118 HydrophobicContact CE3-CD2 3.43Å; W28-F118 VanDerWaalsContact CE3-CD2 3.43Å; W28-F118 AromaticContact CE3-CE1 3.9Å; W28-F118 HydrophobicContact CE3-CE1 3.9Å; W28-F118 AromaticContact CE3-CE2 3.6Å; W28-F118 HydrophobicContact CE3-CE2 3.6Å; W28-F118 AromaticContact CE3-CG 3.51Å; W28-F118 HydrophobicContact CE3-CG 3.51Å; W28-F118 AromaticContact CE3-CZ 3.84Å; W28-F118 HydrophobicContact CE3-CZ 3.84Å; W28-F118 HydrophobicContact CZ3-CB 3.8Å; W28-F118 HydrophobicContact CZ3-CD1 4.11Å; W28-F118 AromaticContact CZ3-CD2 3.77Å; W28-F118 HydrophobicContact CZ3-CD2 3.77Å; W28-F118 HydrophobicContact CZ3-CE2 4.4Å; W28-F118 AromaticContact CZ3-CG 3.61Å; W28-F118 HydrophobicContact CZ3-CG 3.61Å; W29-F118 HydrophobicContact CB-CZ 4.14Å; W29-F118 HydrophobicContact CE3-CE1 4.45Å; W62-F118 HydrophobicContact CH2-CD2 4.44Å; W62-F118 HydrophobicContact CH2-CE2 4.41Å; W62-F118 AromaticContact CZ3-CD2 3.85Å; W62-F118 HydrophobicContact CZ3-CD2 3.85Å; W62-F118 HydrophobicContact CZ3-CE2 4.25Å; V66-F118 HydrophobicContact CG1-CB 4.43Å; V66-F118 HydrophobicContact CG1-CD2 4.4Å; V66-F118 HydrophobicContact CG2-CB 4.12Å; A114-F118 WeakPolarHBondContact O-CB 3.34Å; A114-F118 PolarHBondContact O-N 2.88Å; L116-F118 VanDerWaalsContact C-N 3.31Å; L116-F118 PolarHBondContact O-N 3.28Å; F118-F120 VanDerWaalsContact C-N 3.35Å; F118-F120 PolarHBondContact O-N 2.89Å; F118-H121 PolarHBondContact O-N 3.38Å; F118-R122 PolarHBondContact O-N 3.27Å; F118-I125 HydrophobicContact CE2-CD1 4.14Å; F118-I125 HydrophobicContact CZ-CD1 4.03Å; F118-F137 HydrophobicContact CD1-CE1 4.13Å; F118-F137 HydrophobicContact CE1-CD1 4.12Å; F118-F137 HydrophobicContact CE1-CE1 4Å; F118-V141 HydrophobicContact CD1-CG2 3.8Å; F118-V141 HydrophobicContact CE1-CG2 3.57Å; F118-V141 HydrophobicContact CZ-CG2 4.33Å
119T89.1Confident81.9Confident45 Ų4560.4 Ų60.428%0.27630%0.302SS..Hα-helixtrans-65.9-36.8-178.6-50.10000111.8C115 L116 I117 R122 F137 W145C115-T119 VanDerWaalsContact O-CB 3.29Å; C115-T119 WeakPolarHBondContact O-CB 3.48Å; C115-T119 PolarHBondContact O-N 2.99Å; C115-T119 PolarHBondContact O-OG1 3.07Å; L116-T119 PolarHBondContact O-N 3.44Å; I117-T119 PolarHBondContact O-N 3.25Å; T119-R122 VanDerWaalsContact O-CB 3.3Å; T119-R122 WeakPolarHBondContact O-CB 3.28Å; T119-F137 HydrophobicContact CG2-CZ 3.9Å; T119-W145 PolarHBondContact OG1-NE1 3.08Å
120F87.6Confident79.8Confident157 Ų15765.3 Ų65.369%0.68932%0.323SS*.Hα-helixtrans-74.1-37.4177.7-76.4-56.9000113.1L116 I117 F118 R122L116-F120 HydrophobicContact CB-CD2 4.24Å; L116-F120 HydrophobicContact CB-CE2 4.2Å; L116-F120 HydrophobicContact CD2-CE2 3.97Å; L116-F120 WeakPolarHBondContact O-CB 3.41Å; L116-F120 WeakPolarHBondContact O-CD2 3.37Å; L116-F120 PolarHBondContact O-N 3.2Å; I117-F120 PolarHBondContact O-N 2.74Å; F118-F120 VanDerWaalsContact C-N 3.35Å; F118-F120 PolarHBondContact O-N 2.89Å; F120-R122 PolarHBondContact O-N 3.24Å
121H84.9Confident77.8Confident63 Ų6368.3 Ų68.329%0.29234%0.338SS..THydrogen-bonded Turntrans-79.54.8178.1-70.379.1000113.5W62 I117 F118 K123 E124 I125W62-H121 AromaticContact CD1-CD2 3.73Å; W62-H121 HydrophobicContact CD2-CB 3.72Å; W62-H121 AromaticContact CD2-CG 3.91Å; W62-H121 HydrophobicContact CE3-CB 3.8Å; W62-H121 HydrophobicContact CG-CB 4.11Å; W62-H121 AromaticContact CG-CD2 3.55Å; W62-H121 AromaticContact CG-CG 3.78Å; W62-H121 HydrophobicContact CZ3-CB 4.29Å; I117-H121 WeakPolarHBondContact O-CB 3.47Å; I117-H121 PolarHBondContact O-N 3.49Å; I117-H121 PolarHBondContact O-ND1 2.97Å; F118-H121 PolarHBondContact O-N 3.38Å; H121-K123 PolarHBondContact O-N 3.03Å; H121-K123 VanDerWaalsContact O-N 3.09Å; H121-E124 IonicContact CD2-OE2 3.38Å; H121-E124 PolarHBondContact CD2-OE2 2.91Å; H121-E124 WeakPolarHBondContact O-CB 3.45Å; H121-E124 PolarHBondContact O-N 3.35Å; H121-I125 PolarHBondContact O-N 3.45Å; H121-I125 VanDerWaalsContact O-N 3.16Å
122R72.8Confident75.6Confident103 Ų10372.1 Ų72.139%0.38936%0.363SS..Hα-helixtrans-46.2-42170.7-172.8-169.985-166.54.3112.7W29 F118 T119 F120 E124 I125 L126 F137W29-R122 HydrophobicContact CH2-CG 3.55Å; W29-R122 HydrophobicContact CZ3-CG 3.6Å; F118-R122 PolarHBondContact O-N 3.27Å; T119-R122 VanDerWaalsContact O-CB 3.3Å; T119-R122 WeakPolarHBondContact O-CB 3.28Å; F120-R122 PolarHBondContact O-N 3.24Å; R122-E124 VanDerWaalsContact C-N 3.28Å; R122-E124 PolarHBondContact O-N 3.12Å; R122-I125 WeakPolarHBondContact O-CB 3.22Å; R122-I125 PolarHBondContact O-N 3.05Å; R122-L126 HydrophobicContact CG-CD1 4.01Å; R122-L126 WeakPolarHBondContact O-CB 3.4Å; R122-L126 WeakPolarHBondContact O-CD1 3.27Å; R122-L126 PolarHBondContact O-N 3.46Å; R122-F137 HydrophobicContact CG-CZ 4.41Å
123K65.7Low73.7Confident157 Ų15772.6 Ų72.668%0.68338%0.376SS*.Hα-helixtrans-65.6-31.3-178.6-69.2-175.7-177.7177.70112.9H121 L126 S127H121-K123 PolarHBondContact O-N 3.03Å; H121-K123 VanDerWaalsContact O-N 3.09Å; K123-L126 PolarHBondContact O-N 3.45Å; K123-S127 WeakPolarHBondContact O-CB 3.34Å; K123-S127 PolarHBondContact O-N 2.89Å; K123-S127 PolarHBondContact O-OG 3.21Å
124E66.6Low72.2Confident81 Ų8174.5 Ų74.538%0.37938%0.381SS..Hα-helixtrans-76-37.2177.6-165.3177.5148.800111.6W62 H121 R122 L126 S127 N128W62-E124 PolarHBondContact NE1-OE1 3.38Å; H121-E124 IonicContact CD2-OE2 3.38Å; H121-E124 PolarHBondContact CD2-OE2 2.91Å; H121-E124 WeakPolarHBondContact O-CB 3.45Å; H121-E124 PolarHBondContact O-N 3.35Å; R122-E124 VanDerWaalsContact C-N 3.28Å; R122-E124 PolarHBondContact O-N 3.12Å; E124-L126 VanDerWaalsContact C-N 3.29Å; E124-L126 PolarHBondContact O-N 2.92Å; E124-S127 WeakPolarHBondContact CA-OG 3.35Å; E124-S127 PolarHBondContact O-N 2.78Å; E124-S127 PolarHBondContact O-OG 3.38Å; E124-S127 VanDerWaalsContact O-OG 3.08Å; E124-N128 PolarHBondContact O-N 2.93Å; E124-N128 PolarHBondContact O-ND2 3.03Å
125I63.8Low71.1Confident28 Ų2875.5 Ų75.514%0.14439%0.392CS..Hα-helixtrans-59.1-43.7168.6-58.1171.4000110.2W29 W62 F118 H121 R122 S129W29-I125 HydrophobicContact CD2-CG2 4.49Å; W29-I125 HydrophobicContact CG-CG2 4.45Å; W62-I125 HydrophobicContact CH2-CD1 3.53Å; W62-I125 HydrophobicContact CH2-CG1 3.59Å; W62-I125 HydrophobicContact CZ2-CD1 4.11Å; W62-I125 HydrophobicContact CZ2-CG1 3.61Å; W62-I125 HydrophobicContact CZ3-CD1 4.3Å; F118-I125 HydrophobicContact CE2-CD1 4.14Å; F118-I125 HydrophobicContact CZ-CD1 4.03Å; H121-I125 PolarHBondContact O-N 3.45Å; H121-I125 VanDerWaalsContact O-N 3.16Å; R122-I125 WeakPolarHBondContact O-CB 3.22Å; R122-I125 PolarHBondContact O-N 3.05Å; I125-S129 PolarHBondContact O-OG 2.92Å
126L59.3Low70.5Confident24 Ų2483.6 Ų83.613%0.12642%0.422CS..Hα-helixtrans-71-35.3177.4-98.264.4000113.3W29 W31 R122 K123 E124 N128 S129 P132W29-L126 HydrophobicContact CH2-CD1 3.67Å; W29-L126 HydrophobicContact CZ2-CD1 3.29Å; W31-L126 HydrophobicContact CH2-CD1 4.15Å; W31-L126 HydrophobicContact CH2-CG 4.19Å; W31-L126 HydrophobicContact CZ2-CD1 4.27Å; R122-L126 HydrophobicContact CG-CD1 4.01Å; R122-L126 WeakPolarHBondContact O-CB 3.4Å; R122-L126 WeakPolarHBondContact O-CD1 3.27Å; R122-L126 PolarHBondContact O-N 3.46Å; K123-L126 PolarHBondContact O-N 3.45Å; E124-L126 VanDerWaalsContact C-N 3.29Å; E124-L126 PolarHBondContact O-N 2.92Å; L126-N128 VanDerWaalsContact C-N 3.33Å; L126-N128 PolarHBondContact O-N 3.44Å; L126-S129 PolarHBondContact O-N 2.9Å; L126-S129 PolarHBondContact O-OG 3.34Å; L126-S129 VanDerWaalsContact O-OG 3.07Å; L126-P132 HydrophobicContact CB-CB 4.07Å; L126-P132 HydrophobicContact CD2-CB 3.62Å; L126-P132 WeakPolarHBondContact CD2-O 3.3Å; L126-P132 HydrophobicContact CG-CB 3.83Å
127S55.7Low70Confident88 Ų8884.4 Ų84.462%0.61542%0.423SS*.Hα-helixtrans-73-25.9-174.161.40000113.4K123 E124 S129K123-S127 WeakPolarHBondContact O-CB 3.34Å; K123-S127 PolarHBondContact O-N 2.89Å; K123-S127 PolarHBondContact O-OG 3.21Å; E124-S127 WeakPolarHBondContact CA-OG 3.35Å; E124-S127 PolarHBondContact O-N 2.78Å; E124-S127 PolarHBondContact O-OG 3.38Å; E124-S127 VanDerWaalsContact O-OG 3.08Å; S127-S129 VanDerWaalsContact C-N 3.28Å
128N56.2Low69.8Low139 Ų13982.4 Ų82.474%0.74342%0.415SS*.THydrogen-bonded Turntrans-79.3-9.5175.4-78.4-43.2000113.4E124 L126E124-N128 PolarHBondContact O-N 2.93Å; E124-N128 PolarHBondContact O-ND2 3.03Å; L126-N128 VanDerWaalsContact C-N 3.33Å; L126-N128 PolarHBondContact O-N 3.44Å
129S55.3Low69.8Low31 Ų3186.9 Ų86.922%0.21743%0.434CS..SBendtrans-113.6134.7-178.549.10000110.8W31 I125 L126 S127 D131W31-S129 WeakPolarHBondContact CH2-OG 3.3Å; W31-S129 WeakPolarHBondContact CZ2-OG 3.34Å; I125-S129 PolarHBondContact O-OG 2.92Å; L126-S129 PolarHBondContact O-N 2.9Å; L126-S129 PolarHBondContact O-OG 3.34Å; L126-S129 VanDerWaalsContact O-OG 3.07Å; S127-S129 VanDerWaalsContact C-N 3.28Å; S129-D131 PolarHBondContact O-N 3.48Å
130K53.7Low70Confident222 Ų22284.8 Ų84.897%0.96542%0.421SS*.SBendtrans-63.9-2.5-168.7-88.7175.9176.2172.20115.9
131D55.6Low70.2Confident80 Ų8077.5 Ų77.543%0.42839%0.39SS..  trans-151.397.5176.4-1552.2000113.1W31 S129 S133 N134W31-D131 VanDerWaalsContact CZ3-O 3.3Å; W31-D131 WeakPolarHBondContact CZ3-O 3.26Å; S129-D131 PolarHBondContact O-N 3.48Å; D131-S133 PolarHBondContact O-N 2.88Å; D131-S133 VanDerWaalsContact O-N 3.08Å; D131-S133 PolarHBondContact OD1-OG 3.08Å; D131-N134 PolarHBondContact O-N 2.91Å; D131-N134 PolarHBondContact OD2-ND2 3.49Å
132P53.4Low70.7Confident79 Ų7979.1 Ų79.151%0.51340%0.399SS..THydrogen-bonded Turntrans-66.5-8.7-17423.2-32000115.1L126L126-P132 HydrophobicContact CB-CB 4.07Å; L126-P132 HydrophobicContact CD2-CB 3.62Å; L126-P132 WeakPolarHBondContact CD2-O 3.3Å; L126-P132 HydrophobicContact CG-CB 3.83Å
133S57Low71.7Confident88 Ų8875.7 Ų75.762%0.61539%0.389SS*.THydrogen-bonded Turntrans-83-7-178.456.30000115D131D131-S133 PolarHBondContact O-N 2.88Å; D131-S133 VanDerWaalsContact O-N 3.08Å; D131-S133 PolarHBondContact OD1-OG 3.08Å
134N66.4Low73.2Confident73 Ų7368.2 Ų68.239%0.3936%0.356SS..SBendtrans-107.94.4-166.4-65.5-27.2000115.7W31 T32 D131W31-N134 HydrophobicContact CE3-CB 4.02Å; W31-N134 HydrophobicContact CZ3-CB 4.03Å; T32-N134 PolarHBondContact N-O 2.88Å; D131-N134 PolarHBondContact O-N 2.91Å; D131-N134 PolarHBondContact OD2-ND2 3.49Å
135G73.7Confident74.7Confident21 Ų2168.7 Ų68.722%0.21635%0.354CS..  trans-110.7144.2-177.600000113.2W31W31-G135 VanDerWaalsContact CE3-CA 3.46Å; W31-G135 VanDerWaalsContact CE3-N 3.32Å
136R83.1Confident76.3Confident172 Ų17272 Ų7265%0.64937%0.372SS*.EExtended strand (participates in β ladder)trans-133.4154178.369.1-176.588.1-177.57111.4V30 G138V30-R136 HydrophobicContact CB-CG 4.17Å; V30-R136 PolarHBondContact N-O 2.98Å; V30-R136 PolarHBondContact O-N 2.86Å; R136-G138 PolarHBondContact O-N 3.49Å
137F86.3Confident78.1Confident69 Ų6970.9 Ų70.930%0.30337%0.366SS..EExtended strand (participates in β ladder)trans-61.6130168.9-70.2-66.6000109.8W29 F118 T119 R122 V141W29-F137 AromaticContact CE3-CD1 3.8Å; W29-F137 HydrophobicContact CE3-CD1 3.8Å; W29-F137 HydrophobicContact CE3-CE1 4Å; W29-F137 HydrophobicContact CE3-CG 4.4Å; W29-F137 AromaticContact CZ3-CD1 3.73Å; W29-F137 HydrophobicContact CZ3-CD1 3.73Å; W29-F137 HydrophobicContact CZ3-CD2 4.41Å; W29-F137 AromaticContact CZ3-CE1 3.69Å; W29-F137 HydrophobicContact CZ3-CE1 3.69Å; W29-F137 HydrophobicContact CZ3-CE2 4.37Å; W29-F137 HydrophobicContact CZ3-CG 4.11Å; W29-F137 HydrophobicContact CZ3-CZ 4.02Å; F118-F137 HydrophobicContact CD1-CE1 4.13Å; F118-F137 HydrophobicContact CE1-CD1 4.12Å; F118-F137 HydrophobicContact CE1-CE1 4Å; T119-F137 HydrophobicContact CG2-CZ 3.9Å; R122-F137 HydrophobicContact CG-CZ 4.41Å; F137-V141 HydrophobicContact CD1-CB 4.22Å; F137-V141 HydrophobicContact CD1-CG1 3.78Å; F137-V141 HydrophobicContact CD1-CG2 4.15Å; F137-V141 HydrophobicContact CE1-CG1 4.3Å; F137-V141 HydrophobicContact CG-CG1 4.29Å
138G88.1Confident80.1Confident5 Ų567.2 Ų67.25%0.05234%0.34CS..  trans-80.2174.5171.800000111.5S27 W28 R136 C140 V141S27-G138 CarbonylContact O-C 3.43Å; S27-G138 WeakPolarHBondContact O-CA 3.35Å; W28-G138 PolarHBondContact O-N 3.06Å; R136-G138 PolarHBondContact O-N 3.49Å; G138-C140 VanDerWaalsContact C-N 3.25Å; G138-C140 PolarHBondContact O-N 3.21Å; G138-V141 PolarHBondContact O-N 3.45Å
139F91.1Very high82Confident100 Ų10063.8 Ų63.844%0.43933%0.326SS..Hα-helixtrans-70.5-21.9-172.678.8-90.4000112.9I21 E25 S27 I142 L143I21-F139 HydrophobicContact CG2-CE2 3.96Å; E25-F139 HydrophobicContact CB-CZ 4.17Å; S27-F139 PolarHBondContact O-N 2.91Å; S27-F139 VanDerWaalsContact OG-CD1 3.26Å; S27-F139 WeakPolarHBondContact OG-CD1 3.01Å; F139-I142 PolarHBondContact O-N 2.83Å; F139-L143 HydrophobicContact CD2-CD1 3.44Å; F139-L143 VanDerWaalsContact CD2-CD1 3.44Å; F139-L143 HydrophobicContact CD2-CG 4.4Å; F139-L143 HydrophobicContact CE2-CD1 3.54Å; F139-L143 PolarHBondContact O-N 2.64Å
140C93.4Very high84Confident0 Ų065 Ų650%033%0.329CS..Hα-helixtrans-67.1-37179.5-66.80000112E25 S27 W28 G138 I142 L143 A144E25-C140 PolarHBondContact O-SG 3.28Å; S27-C140 VanDerWaalsContact O-CB 3.3Å; S27-C140 WeakPolarHBondContact O-CB 3.12Å; S27-C140 PolarHBondContact O-N 3.26Å; W28-C140 HydrophobicContact CG-CB 4.13Å; G138-C140 VanDerWaalsContact C-N 3.25Å; G138-C140 PolarHBondContact O-N 3.21Å; C140-I142 VanDerWaalsContact C-N 3.32Å; C140-I142 PolarHBondContact O-N 3.47Å; C140-L143 WeakPolarHBondContact O-CB 3.27Å; C140-L143 PolarHBondContact O-N 2.96Å; C140-A144 WeakPolarHBondContact O-CB 3.22Å; C140-A144 PolarHBondContact O-N 3.07Å
141V92.6Very high86.1Confident4 Ų454.5 Ų54.52%0.02428%0.283CS..Hα-helixtrans-64.6-39.7173.7170.90000110.9W28 F118 F137 G138 A144 W145W28-V141 HydrophobicContact CB-CG2 4.07Å; W28-V141 HydrophobicContact CD2-CG2 3.7Å; W28-V141 HydrophobicContact CE3-CG2 3.41Å; W28-V141 VanDerWaalsContact CE3-CG2 3.41Å; W28-V141 HydrophobicContact CG-CG2 4.04Å; W28-V141 HydrophobicContact CZ3-CG2 4.14Å; W28-V141 WeakPolarHBondContact O-CG2 3.36Å; F118-V141 HydrophobicContact CD1-CG2 3.8Å; F118-V141 HydrophobicContact CE1-CG2 3.57Å; F118-V141 HydrophobicContact CZ-CG2 4.33Å; F137-V141 HydrophobicContact CD1-CB 4.22Å; F137-V141 HydrophobicContact CD1-CG1 3.78Å; F137-V141 HydrophobicContact CD1-CG2 4.15Å; F137-V141 HydrophobicContact CE1-CG1 4.3Å; F137-V141 HydrophobicContact CG-CG1 4.29Å; G138-V141 PolarHBondContact O-N 3.45Å; V141-A144 PolarHBondContact O-N 3.35Å; V141-W145 VanDerWaalsContact O-CD1 3.3Å; V141-W145 PolarHBondContact O-N 3.16Å
142I94.1Very high88.1Confident97 Ų9753.1 Ų53.150%0.49728%0.276SS..Hα-helixtrans-66-44.3177.4-57.7173.2000110F139 C140 W145 L146F139-I142 PolarHBondContact O-N 2.83Å; C140-I142 VanDerWaalsContact C-N 3.32Å; C140-I142 PolarHBondContact O-N 3.47Å; I142-W145 PolarHBondContact O-N 3.46Å; I142-L146 HydrophobicContact CG2-CD1 4.25Å; I142-L146 WeakPolarHBondContact O-CG 3.19Å; I142-L146 PolarHBondContact O-N 3.26Å
143L95.7Very high90.1Very high31 Ų3153.2 Ų53.216%0.16228%0.275CS..Hα-helixtrans-58-46.8174.7-90.5163.7000112.2M18 I21 A22 F139 C140 L146 C147M18-L143 HydrophobicContact CB-CD2 3.82Å; M18-L143 HydrophobicContact CG-CD2 3.5Å; M18-L143 HydrophobicContact SD-CD2 3.65Å; I21-L143 HydrophobicContact CB-CD1 4.48Å; I21-L143 HydrophobicContact CG2-CD1 3.69Å; A22-L143 HydrophobicContact CB-CB 4.29Å; F139-L143 HydrophobicContact CD2-CD1 3.44Å; F139-L143 VanDerWaalsContact CD2-CD1 3.44Å; F139-L143 HydrophobicContact CD2-CG 4.4Å; F139-L143 HydrophobicContact CE2-CD1 3.54Å; F139-L143 PolarHBondContact O-N 2.64Å; C140-L143 WeakPolarHBondContact O-CB 3.27Å; C140-L143 PolarHBondContact O-N 2.96Å; L143-L146 PolarHBondContact O-N 3.35Å; L143-C147 PolarHBondContact O-N 2.76Å
144A96.7Very high91.9Very high0 Ų049 Ų490%025%0.246CC..Hα-helixtrans-60.5-45.917700000111.1A22 W28 M70 C115 C140 V141 L146 C147 V148A22-A144 HydrophobicContact CB-CB 4.17Å; W28-A144 HydrophobicContact CH2-CB 4.47Å; W28-A144 HydrophobicContact CZ2-CB 4.43Å; M70-A144 HydrophobicContact CE-CB 4.48Å; C115-A144 WeakPolarHBondContact SG-CB 3.3Å; C140-A144 WeakPolarHBondContact O-CB 3.22Å; C140-A144 PolarHBondContact O-N 3.07Å; V141-A144 PolarHBondContact O-N 3.35Å; A144-L146 VanDerWaalsContact C-N 3.3Å; A144-L146 PolarHBondContact O-N 3.42Å; A144-C147 VanDerWaalsContact O-CB 3.31Å; A144-C147 WeakPolarHBondContact O-CB 3.42Å; A144-C147 PolarHBondContact O-N 3.41Å; A144-V148 PolarHBondContact O-N 3.07Å
145W97.1Very high93.2Very high91 Ų9145.7 Ų45.735%0.34523%0.229SC..Hα-helixtrans-60.3-35.8174.2-89.3110.6000114F112 C115 L116 T119 V141 I142 P149F112-W145 AromaticContact CD2-CH2 3.98Å; F112-W145 HydrophobicContact CD2-CH2 3.98Å; F112-W145 AromaticContact CD2-CZ3 3.72Å; F112-W145 HydrophobicContact CD2-CZ3 3.72Å; F112-W145 AromaticContact CE2-CH2 3.62Å; F112-W145 HydrophobicContact CE2-CH2 3.62Å; F112-W145 AromaticContact CE2-CZ3 3.54Å; F112-W145 HydrophobicContact CE2-CZ3 3.54Å; C115-W145 HydrophobicContact CB-CD2 4.05Å; C115-W145 HydrophobicContact CB-CG 4.43Å; C115-W145 HydrophobicContact CB-CH2 4.47Å; C115-W145 HydrophobicContact CB-CZ2 3.88Å; L116-W145 HydrophobicContact CD2-CH2 3.78Å; L116-W145 HydrophobicContact CD2-CZ2 4.08Å; L116-W145 HydrophobicContact CG-CH2 4.33Å; T119-W145 PolarHBondContact OG1-NE1 3.08Å; V141-W145 VanDerWaalsContact O-CD1 3.3Å; V141-W145 PolarHBondContact O-N 3.16Å; I142-W145 PolarHBondContact O-N 3.46Å; W145-P149 WeakPolarHBondContact O-CD 3.35Å
146L97.3Very high94.1Very high99 Ų9948.8 Ų48.852%0.51824%0.243SC..Hα-helixtrans-72-32.4174.3-70.2175000112.2I142 L143 A144 P149 L150I142-L146 HydrophobicContact CG2-CD1 4.25Å; I142-L146 WeakPolarHBondContact O-CG 3.19Å; I142-L146 PolarHBondContact O-N 3.26Å; L143-L146 PolarHBondContact O-N 3.35Å; A144-L146 VanDerWaalsContact C-N 3.3Å; A144-L146 PolarHBondContact O-N 3.42Å; L146-P149 VanDerWaalsContact O-CD 3.32Å; L146-P149 WeakPolarHBondContact O-CD 3.39Å; L146-P149 WeakPolarHBondContact O-CG 3.37Å; L146-L150 WeakPolarHBondContact O-CD1 3.36Å; L146-L150 VanDerWaalsContact O-CG 3.28Å; L146-L150 WeakPolarHBondContact O-CG 3.35Å
147C97.1Very high94.5Very high0 Ų043.4 Ų43.40%023%0.227CC..Hα-helixtrans-61.9-42.6175.6-84.60000112.4M18 L19 D111 L143 A144 L150 L151M18-C147 WeakPolarHBondContact CB-SG 3.46Å; L19-C147 HydrophobicContact CD2-CB 4.15Å; L19-C147 HydrophobicContact CG-CB 4.36Å; D111-C147 VanDerWaalsContact OD2-CB 3.23Å; D111-C147 WeakPolarHBondContact OD2-CB 3.4Å; L143-C147 PolarHBondContact O-N 2.76Å; A144-C147 VanDerWaalsContact O-CB 3.31Å; A144-C147 WeakPolarHBondContact O-CB 3.42Å; A144-C147 PolarHBondContact O-N 3.41Å; C147-L150 PolarHBondContact O-N 3.36Å; C147-L151 HydrophobicContact CB-CD1 4.07Å; C147-L151 WeakPolarHBondContact O-CB 3.48Å; C147-L151 VanDerWaalsContact O-CG 3.27Å; C147-L151 WeakPolarHBondContact O-CG 3.2Å; C147-L151 PolarHBondContact O-N 3.22Å
148V97.8Very high94.7Very high10 Ų1040.1 Ų40.16%0.06121%0.212CC..Hα-helixtrans-46.6-60.7-177173.70000113.5D111 F112 A144 L150 L151 L152D111-V148 HydrophobicContact CB-CG2 4.28Å; D111-V148 WeakPolarHBondContact OD2-CG2 3.32Å; D111-V148 PolarHBondContact OD2-N 3.3Å; F112-V148 HydrophobicContact CB-CG1 3.83Å; F112-V148 HydrophobicContact CB-CG2 3.86Å; F112-V148 HydrophobicContact CD2-CG1 3.91Å; F112-V148 HydrophobicContact CD2-CG2 4.31Å; F112-V148 HydrophobicContact CG-CG1 4.14Å; A144-V148 PolarHBondContact O-N 3.07Å; V148-L150 VanDerWaalsContact C-N 3.3Å; V148-L150 PolarHBondContact O-N 3.36Å; V148-L151 PolarHBondContact O-N 2.91Å; V148-L152 HydrophobicContact CG1-CD1 4.03Å; V148-L152 WeakPolarHBondContact O-CG 3.33Å; V148-L152 PolarHBondContact O-N 2.94Å
149P97.6Very high94.6Very high68 Ų6842.1 Ų42.144%0.44222%0.224SC..Hα-helixtrans-64.7-35-179.925.8-35000112.3W145 L146 L152 V153W145-P149 WeakPolarHBondContact O-CD 3.35Å; L146-P149 VanDerWaalsContact O-CD 3.32Å; L146-P149 WeakPolarHBondContact O-CD 3.39Å; L146-P149 WeakPolarHBondContact O-CG 3.37Å; P149-L152 PolarHBondContact O-N 3.13Å; P149-V153 VanDerWaalsContact O-CB 3.25Å; P149-V153 WeakPolarHBondContact O-CB 3.41Å; P149-V153 WeakPolarHBondContact O-CG2 3.34Å; P149-V153 PolarHBondContact O-N 2.96Å
150L97.3Very high94.3Very high57 Ų5744.2 Ų44.230%0.29823%0.234SC..Hα-helixtrans-66.9-40.1-179.9-60.8172.6000111.6L11 S15 M18 L146 C147 V148 S154L11-L150 HydrophobicContact CD1-CB 4.15Å; L11-L150 HydrophobicContact CD1-CD2 3.76Å; L11-L150 HydrophobicContact CD1-CG 4.44Å; S15-L150 VanDerWaalsContact OG-CB 3.3Å; S15-L150 WeakPolarHBondContact OG-CB 3.49Å; M18-L150 HydrophobicContact CE-CD1 3.3Å; L146-L150 WeakPolarHBondContact O-CD1 3.36Å; L146-L150 VanDerWaalsContact O-CG 3.28Å; L146-L150 WeakPolarHBondContact O-CG 3.35Å; C147-L150 PolarHBondContact O-N 3.36Å; V148-L150 VanDerWaalsContact C-N 3.3Å; V148-L150 PolarHBondContact O-N 3.36Å; L150-S154 WeakPolarHBondContact O-CB 3.39Å; L150-S154 PolarHBondContact O-N 3.04Å
151L97.6Very high93.7Very high0 Ų045 Ų450%024%0.238CC..Hα-helixtrans-65.6-48.7175-67.6167.1000111L19 Q104 A107 D111 C147 V148 S154 G155L19-L151 HydrophobicContact CD1-CD1 3.79Å; L19-L151 HydrophobicContact CD1-CD2 3.95Å; L19-L151 HydrophobicContact CD1-CG 4.47Å; L19-L151 HydrophobicContact CD2-CD1 4.11Å; L19-L151 HydrophobicContact CG-CD1 4.14Å; Q104-L151 WeakPolarHBondContact CG-O 3.34Å; A107-L151 HydrophobicContact CB-CD2 4.48Å; D111-L151 HydrophobicContact CB-CD1 4.22Å; C147-L151 HydrophobicContact CB-CD1 4.07Å; C147-L151 WeakPolarHBondContact O-CB 3.48Å; C147-L151 VanDerWaalsContact O-CG 3.27Å; C147-L151 WeakPolarHBondContact O-CG 3.2Å; C147-L151 PolarHBondContact O-N 3.22Å; V148-L151 PolarHBondContact O-N 2.91Å; L151-S154 PolarHBondContact O-N 3.14Å; L151-G155 PolarHBondContact O-N 2.62Å
152L96.7Very high92.6Very high51 Ų5152.1 Ų52.127%0.26727%0.265SS..Hα-helixtrans-65.7-45.3-178.8-66.7177.2000112.2F109 V148 P149 G155 V156F109-L152 HydrophobicContact CD1-CD2 4.26Å; F109-L152 HydrophobicContact CD2-CD2 4.38Å; F109-L152 HydrophobicContact CE1-CD2 4.08Å; F109-L152 HydrophobicContact CE2-CD2 4.2Å; F109-L152 HydrophobicContact CG-CD2 4.4Å; F109-L152 HydrophobicContact CZ-CD2 4.04Å; V148-L152 HydrophobicContact CG1-CD1 4.03Å; V148-L152 WeakPolarHBondContact O-CG 3.33Å; V148-L152 PolarHBondContact O-N 2.94Å; P149-L152 PolarHBondContact O-N 3.13Å; L152-G155 PolarHBondContact O-N 3.44Å; L152-V156 WeakPolarHBondContact O-CG2 3.11Å; L152-V156 PolarHBondContact O-N 2.89Å
153V95.4Very high91.2Very high82 Ų8249.5 Ų49.550%0.49725%0.25SC..Hα-helixtrans-63.1-43.5175.7170.70000110.5P149 G155 V156 L157P149-V153 VanDerWaalsContact O-CB 3.25Å; P149-V153 WeakPolarHBondContact O-CB 3.41Å; P149-V153 WeakPolarHBondContact O-CG2 3.34Å; P149-V153 PolarHBondContact O-N 2.96Å; V153-G155 VanDerWaalsContact C-N 3.32Å; V153-G155 PolarHBondContact O-N 2.92Å; V153-V156 PolarHBondContact O-N 2.83Å; V153-L157 HydrophobicContact CG1-CD1 3.95Å; V153-L157 HydrophobicContact CG1-CG 4.27Å; V153-L157 VanDerWaalsContact O-CG 3.28Å; V153-L157 WeakPolarHBondContact O-CG 3.37Å; V153-L157 PolarHBondContact O-N 2.76Å
154S94.5Very high89.4Confident0 Ų054.9 Ų54.90%027%0.272CS..Hα-helixtrans-58.1-44174.6-177.50000111.7L150 L151 V156 L157 Y158L150-S154 WeakPolarHBondContact O-CB 3.39Å; L150-S154 PolarHBondContact O-N 3.04Å; L151-S154 PolarHBondContact O-N 3.14Å; S154-V156 PolarHBondContact O-N 2.85Å; S154-L157 PolarHBondContact O-N 2.79Å; S154-Y158 WeakPolarHBondContact O-CD2 3.15Å; S154-Y158 PolarHBondContact O-N 2.84Å; S154-Y158 VanDerWaalsContact OG-CE2 3.25Å; S154-Y158 WeakPolarHBondContact OG-CE2 3.47Å
155G93.8Very high87Confident3 Ų364 Ų643%0.03132%0.315CS..Hα-helixtrans-58.7-45.8175.300000113.2G101 L151 L152 V153 L157 Y158 V159G101-G155 WeakPolarHBondContact CA-O 3.4Å; L151-G155 PolarHBondContact O-N 2.62Å; L152-G155 PolarHBondContact O-N 3.44Å; V153-G155 VanDerWaalsContact C-N 3.32Å; V153-G155 PolarHBondContact O-N 2.92Å; G155-L157 PolarHBondContact O-N 2.86Å; G155-Y158 PolarHBondContact O-N 2.87Å; G155-V159 WeakPolarHBondContact O-CG2 3.45Å; G155-V159 PolarHBondContact O-N 2.95Å; G155-V159 VanDerWaalsContact O-N 3.13Å
156V92.9Very high86.5Confident85 Ų8562.7 Ų62.752%0.51531%0.313SS..Hα-helixtrans-62.6-43175.41740000111.3L152 V153 S154 Y158 V159 H160L152-V156 WeakPolarHBondContact O-CG2 3.11Å; L152-V156 PolarHBondContact O-N 2.89Å; V153-V156 PolarHBondContact O-N 2.83Å; S154-V156 PolarHBondContact O-N 2.85Å; V156-Y158 VanDerWaalsContact C-N 3.35Å; V156-Y158 PolarHBondContact O-N 3.36Å; V156-V159 PolarHBondContact O-N 3.49Å; V156-H160 PolarHBondContact O-N 3.19Å; V156-H160 VanDerWaalsContact O-N 3.16Å; V156-H160 PolarHBondContact O-ND1 3.4Å
157L91.9Very high85.9Confident60 Ų6060.8 Ų60.831%0.31430%0.303SS..Hα-helixtrans-61.7-42.2177.3-70.5173.4000111.2V8 L11 V153 S154 G155 V159 H160 L161V8-L157 HydrophobicContact CG2-CB 3.99Å; V8-L157 HydrophobicContact CG2-CD1 3.92Å; L11-L157 HydrophobicContact CD2-CD1 4.25Å; V153-L157 HydrophobicContact CG1-CD1 3.95Å; V153-L157 HydrophobicContact CG1-CG 4.27Å; V153-L157 VanDerWaalsContact O-CG 3.28Å; V153-L157 WeakPolarHBondContact O-CG 3.37Å; V153-L157 PolarHBondContact O-N 2.76Å; S154-L157 PolarHBondContact O-N 2.79Å; G155-L157 PolarHBondContact O-N 2.86Å; L157-V159 VanDerWaalsContact C-N 3.35Å; L157-V159 PolarHBondContact O-N 2.04Å; L157-H160 PolarHBondContact O-N 2.92Å; L157-L161 WeakPolarHBondContact O-CB 3.15Å; L157-L161 VanDerWaalsContact O-CG 3.25Å; L157-L161 WeakPolarHBondContact O-CG 3.33Å; L157-L161 PolarHBondContact O-N 2.93Å
158Y90.3Very high85.3Confident0 Ų064.2 Ų64.20%032%0.319CS..Hα-helixtrans-60-41.6175.1-79.3-55.5000113.1V8 H12 F84 F97 T100 Q104 S154 G155 V156 H160 L161V8-Y158 HydrophobicContact CG1-CD1 3.88Å; V8-Y158 HydrophobicContact CG1-CD2 4.44Å; V8-Y158 HydrophobicContact CG1-CE1 3.32Å; V8-Y158 HydrophobicContact CG1-CE2 3.99Å; V8-Y158 HydrophobicContact CG1-CG 4.39Å; V8-Y158 VanDerWaalsContact CG1-CZ 3.4Å; H12-Y158 WeakPolarHBondContact CB-OH 3.37Å; H12-Y158 AromaticContact ND1-CE2 3.49Å; H12-Y158 WeakPolarHBondContact ND1-CE2 3.48Å; H12-Y158 AromaticContact ND1-CZ 3.53Å; H12-Y158 PolarHBondContact ND1-OH 3.22Å; F84-Y158 HydrophobicContact CB-CE1 4.47Å; F84-Y158 HydrophobicContact CD1-CE1 4.16Å; F84-Y158 AromaticContact CD2-CD1 3.95Å; F84-Y158 HydrophobicContact CD2-CD1 3.95Å; F84-Y158 AromaticContact CD2-CE1 3.35Å; F84-Y158 HydrophobicContact CD2-CE1 3.35Å; F84-Y158 HydrophobicContact CE1-CE1 4.23Å; F84-Y158 HydrophobicContact CE2-CD1 4.11Å; F84-Y158 AromaticContact CE2-CE1 3.46Å; F84-Y158 HydrophobicContact CE2-CE1 3.46Å; F84-Y158 VanDerWaalsContact CE2-CE1 3.46Å; F84-Y158 AromaticContact CG-CE1 3.73Å; F84-Y158 HydrophobicContact CG-CE1 3.73Å; F84-Y158 AromaticContact CZ-CE1 3.89Å; F84-Y158 HydrophobicContact CZ-CE1 3.89Å; F97-Y158 HydrophobicContact CB-CD1 4.34Å; F97-Y158 WeakPolarHBondContact CB-O 3.1Å; T100-Y158 HydrophobicContact CG2-CD1 3.65Å; T100-Y158 HydrophobicContact CG2-CD2 3.64Å; T100-Y158 HydrophobicContact CG2-CE1 3.83Å; T100-Y158 HydrophobicContact CG2-CE2 3.79Å; T100-Y158 HydrophobicContact CG2-CG 3.56Å; Q104-Y158 HydrophobicContact CB-CD2 4.36Å; Q104-Y158 HydrophobicContact CG-CD2 4.4Å; Q104-Y158 HydrophobicContact CG-CE2 4.43Å; S154-Y158 WeakPolarHBondContact O-CD2 3.15Å; S154-Y158 PolarHBondContact O-N 2.84Å; S154-Y158 VanDerWaalsContact OG-CE2 3.25Å; S154-Y158 WeakPolarHBondContact OG-CE2 3.47Å; G155-Y158 PolarHBondContact O-N 2.87Å; V156-Y158 VanDerWaalsContact C-N 3.35Å; V156-Y158 PolarHBondContact O-N 3.36Å; Y158-H160 VanDerWaalsContact C-N 3.29Å; Y158-H160 PolarHBondContact O-N 2.89Å; Y158-L161 HydrophobicContact CD1-CD1 4.2Å; Y158-L161 PolarHBondContact O-N 2.93Å
159V86.7Confident84.6Confident47 Ų4767.4 Ų67.429%0.28534%0.335SS..Hα-helixtrans-63.3-36.2177.4170.90000111.9Y98 G155 V156 L157Y98-V159 HydrophobicContact CD1-CG1 3.84Å; Y98-V159 HydrophobicContact CD1-CG2 4.37Å; Y98-V159 HydrophobicContact CE1-CG1 3.66Å; G155-V159 WeakPolarHBondContact O-CG2 3.45Å; G155-V159 PolarHBondContact O-N 2.95Å; G155-V159 VanDerWaalsContact O-N 3.13Å; V156-V159 PolarHBondContact O-N 3.49Å; L157-V159 VanDerWaalsContact C-N 3.35Å; L157-V159 PolarHBondContact O-N 2.04Å
160H84.4Confident83.7Confident144 Ų14467.3 Ų67.367%0.66733%0.328SS*.Hα-helixtrans-87.2-18.5-179.2-7081.2000113.7V156 L157 Y158 R162V156-H160 PolarHBondContact O-N 3.19Å; V156-H160 VanDerWaalsContact O-N 3.16Å; V156-H160 PolarHBondContact O-ND1 3.4Å; L157-H160 PolarHBondContact O-N 2.92Å; Y158-H160 VanDerWaalsContact C-N 3.29Å; Y158-H160 PolarHBondContact O-N 2.89Å; H160-R162 PolarHBondContact O-N 3.1Å
161L80.9Confident82.8Confident16 Ų1668 Ų688%0.08433%0.33CS..  trans-67115.3175.4-84.9174.1000110.1L4 V8 L96 F97 L157 Y158L4-L161 HydrophobicContact CD2-CD2 3.34Å; L4-L161 HydrophobicContact CD2-CG 4.48Å; L4-L161 HydrophobicContact CG-CD2 3.89Å; V8-L161 HydrophobicContact CB-CD1 4.13Å; V8-L161 HydrophobicContact CG1-CD1 3.99Å; V8-L161 HydrophobicContact CG2-CD1 3.99Å; L96-L161 WeakPolarHBondContact CD2-O 3.5Å; F97-L161 HydrophobicContact CD2-CB 3.94Å; F97-L161 WeakPolarHBondContact CD2-O 3.47Å; F97-L161 HydrophobicContact CE2-CB 4.33Å; L157-L161 WeakPolarHBondContact O-CB 3.15Å; L157-L161 VanDerWaalsContact O-CG 3.25Å; L157-L161 WeakPolarHBondContact O-CG 3.33Å; L157-L161 PolarHBondContact O-N 2.93Å; Y158-L161 HydrophobicContact CD1-CD1 4.2Å; Y158-L161 PolarHBondContact O-N 2.93Å
162R69.8Low81.8Confident153 Ų15372.9 Ų72.958%0.57735%0.353SS*.BIsolated β-bridgetrans-100.9129.2169.8-167175.4-179.3-166.5-1.2109.6L96 H160 K164L96-R162 HydrophobicContact CD2-CB 3.77Å; L96-R162 HydrophobicContact CD2-CG 4.02Å; L96-R162 HydrophobicContact CG-CG 4.44Å; H160-R162 PolarHBondContact O-N 3.1Å; R162-K164 PolarHBondContact O-N 2.86Å
163K63.3Low80.6Confident42 Ų4274.5 Ų74.518%0.18336%0.36CS..  trans-65.594.9169-169.4173.2-170.5169.20108.8Q87 L88 L91 G94 R95 F97Q87-K163 PolarHBondContact O-NZ 3.25Å; L88-K163 PolarHBondContact O-NZ 3.23Å; L91-K163 PolarHBondContact O-NZ 2.75Å; G94-K163 WeakPolarHBondContact CA-O 3.11Å; G94-K163 PolarHBondContact N-O 3.25Å; R95-K163 WeakPolarHBondContact O-CB 3.42Å; R95-K163 PolarHBondContact O-N 2.86Å; F97-K163 HydrophobicContact CE2-CB 4.35Å; F97-K163 HydrophobicContact CZ-CB 4.48Å
164K58.4Low79.4Confident144 Ų14473.9 Ų73.963%0.62635%0.349SS*.  trans-92.1117.3174.4-104.6-174.2-179.5-174.40108M1 R162M1-K164 HydrophobicContact CE-CB 4.21Å; M1-K164 WeakPolarHBondContact CE-O 2.79Å; M1-K164 HydrophobicContact SD-CB 3.35Å; M1-K164 WeakPolarHBondContact SD-CB 3.28Å; M1-K164 VanDerWaalsContact SD-O 3.35Å; R162-K164 PolarHBondContact O-N 2.86Å
165Q46.1Very low78Confident193 Ų19380.6 Ų80.690%0.90238%0.38SS*.  trans56.70-178.2-84.1-177.8-27.500117.9K93K93-Q165 WeakPolarHBondContact CD-OXT 3.4Å; K93-Q165 WeakPolarHBondContact CE-OXT 3.43Å; K93-Q165 WeakPolarHBondContact CG-OXT 3.36Å; K93-Q165 PolarHBondContact NZ-OXT 3.29Å

Retrieved 165 of 165 residues in 141.3 ms (Link to these results)

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