A0A096NLN2_PAPAN Loading...

Epithelial membrane protein 2

Functions as a key regulator of cell membrane composition by regulating proteins surface expression. Also, plays a role in regulation of processes including cell migration, cell proliferation, cell contraction and cell adhesion.

AlphaFold DB (A0A2K6BTM6), UniProt , Accession A0A096NLN2, Species PAPAN (Papio anubis, Olive baboon), Gene EMP2, Length 167 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
1M77.5Confident90.8Very high137 Ų13781.2 Ų81.268%0.67545%0.445SS*.  0-48.80-168.5165.566.700111.8V3 L4 L5 R166 K167M1-V3 PolarHBondContact O-N 3.37Å; M1-L4 PolarHBondContact O-N 3.47Å; M1-L5 PolarHBondContact O-N 3.29Å; M1-L5 VanDerWaalsContact O-N 3.13Å; M1-R166 HydrophobicContact SD-CB 3.86Å; M1-K167 WeakPolarHBondContact CE-O 3.47Å; M1-K167 VanDerWaalsContact SD-O 3.33Å
2L83.3Confident91.4Very high139 Ų13974.5 Ų74.573%0.72841%0.409SS*.Hα-helixtrans-60.2-41.1-179-64.3170.8000114.2L4 L5 A6L2-L4 PolarHBondContact O-N 3.43Å; L2-L5 PolarHBondContact O-N 2.79Å; L2-A6 WeakPolarHBondContact O-CB 3.46Å; L2-A6 PolarHBondContact O-N 3.41Å
3V89.1Confident91.9Very high126 Ų12675.7 Ų75.776%0.76441%0.413SS*.Hα-helixtrans-62.1-45.2178.4179.70000112.2M1 L5 A6 F7M1-V3 PolarHBondContact O-N 3.37Å; V3-L5 VanDerWaalsContact C-N 3.33Å; V3-L5 PolarHBondContact O-N 3.49Å; V3-A6 PolarHBondContact O-N 3.02Å; V3-F7 PolarHBondContact O-N 3.29Å
4L88.3Confident92.3Very high100 Ų10075.6 Ų75.652%0.52442%0.416SS..Hα-helixtrans-62.6-43.2177.3-179.168.5000110.9M1 L2 F7 I8 L163M1-L4 PolarHBondContact O-N 3.47Å; L2-L4 PolarHBondContact O-N 3.43Å; L4-F7 PolarHBondContact O-N 3.14Å; L4-I8 HydrophobicContact CG-CD1 3.97Å; L4-I8 WeakPolarHBondContact O-CD1 3.44Å; L4-I8 VanDerWaalsContact O-CG1 3.28Å; L4-I8 WeakPolarHBondContact O-CG1 3.39Å; L4-I8 PolarHBondContact O-N 2.87Å; L4-L163 HydrophobicContact CD2-CD2 4.35Å
5L90.2Very high92.7Very high47 Ų4770.6 Ų70.625%0.24639%0.388CS..Hα-helixtrans-61.3-43.9176.3178.960.7000111.8M1 L2 V3 F7 I8 I9 F82 L86M1-L5 PolarHBondContact O-N 3.29Å; M1-L5 VanDerWaalsContact O-N 3.13Å; L2-L5 PolarHBondContact O-N 2.79Å; V3-L5 VanDerWaalsContact C-N 3.33Å; V3-L5 PolarHBondContact O-N 3.49Å; L5-F7 VanDerWaalsContact C-N 3.31Å; L5-F7 PolarHBondContact O-N 2.96Å; L5-I8 PolarHBondContact O-N 3.42Å; L5-I9 HydrophobicContact CD1-CD1 4.01Å; L5-I9 HydrophobicContact CD1-CG1 4.28Å; L5-I9 HydrophobicContact CG-CD1 3.92Å; L5-I9 WeakPolarHBondContact O-CG1 3.28Å; L5-I9 PolarHBondContact O-N 3.35Å; L5-F82 HydrophobicContact CD1-CE1 4.02Å; L5-F82 HydrophobicContact CD1-CZ 3.61Å; L5-L86 HydrophobicContact CD1-CD1 3.9Å; L5-L86 HydrophobicContact CD1-CD2 3.78Å; L5-L86 HydrophobicContact CD2-CD1 4.38Å
6A92.3Very high93.1Very high57 Ų5767.2 Ų67.247%0.47137%0.372SS..Hα-helixtrans-60.1-41.9176.300000111.6L2 V3 I9 A10L2-A6 WeakPolarHBondContact O-CB 3.46Å; L2-A6 PolarHBondContact O-N 3.41Å; V3-A6 PolarHBondContact O-N 3.02Å; A6-I9 PolarHBondContact O-N 3.13Å; A6-A10 VanDerWaalsContact O-CB 3.3Å; A6-A10 WeakPolarHBondContact O-CB 3.1Å; A6-A10 PolarHBondContact O-N 3Å
7F94.4Very high93.4Very high135 Ų13565.9 Ų65.959%0.59237%0.373SS*.Hα-helixtrans-64-43176.1-174.8-97.1000112.4V3 L4 L5 I9 A10 F11V3-F7 PolarHBondContact O-N 3.29Å; L4-F7 PolarHBondContact O-N 3.14Å; L5-F7 VanDerWaalsContact C-N 3.31Å; L5-F7 PolarHBondContact O-N 2.96Å; F7-I9 PolarHBondContact O-N 3.12Å; F7-A10 PolarHBondContact O-N 3.45Å; F7-F11 VanDerWaalsContact O-CB 3.26Å; F7-F11 WeakPolarHBondContact O-CB 3.27Å; F7-F11 PolarHBondContact O-N 3.31Å
8I94Very high93.7Very high7 Ų763.8 Ų63.84%0.03636%0.36CS..Hα-helixtrans-59.8-47.4176-69.2158.4000111L4 L5 F11 H12 F82 M159 Y160 L163L4-I8 HydrophobicContact CG-CD1 3.97Å; L4-I8 WeakPolarHBondContact O-CD1 3.44Å; L4-I8 VanDerWaalsContact O-CG1 3.28Å; L4-I8 WeakPolarHBondContact O-CG1 3.39Å; L4-I8 PolarHBondContact O-N 2.87Å; L5-I8 PolarHBondContact O-N 3.42Å; I8-F11 PolarHBondContact O-N 3.32Å; I8-H12 PolarHBondContact O-N 3.16Å; I8-F82 HydrophobicContact CG2-CE1 3.98Å; I8-F82 HydrophobicContact CG2-CE2 4.36Å; I8-F82 HydrophobicContact CG2-CZ 3.69Å; I8-M159 HydrophobicContact CB-CE 4.02Å; I8-M159 HydrophobicContact CG1-CE 3.71Å; I8-M159 HydrophobicContact CG1-SD 3.71Å; I8-M159 HydrophobicContact CG2-CE 3.54Å; I8-Y160 HydrophobicContact CG2-CE1 3.61Å; I8-L163 HydrophobicContact CD1-CD1 3.36Å; I8-L163 HydrophobicContact CD1-CD2 4.39Å; I8-L163 HydrophobicContact CG1-CD1 4.09Å
9I95.2Very high93.9Very high48 Ų4860.4 Ų60.425%0.24634%0.341CS..Hα-helixtrans-62.5-49.1178.7-70.8170.1000110.2L5 A6 F7 F11 H12 I13 F79 F82L5-I9 HydrophobicContact CD1-CD1 4.01Å; L5-I9 HydrophobicContact CD1-CG1 4.28Å; L5-I9 HydrophobicContact CG-CD1 3.92Å; L5-I9 WeakPolarHBondContact O-CG1 3.28Å; L5-I9 PolarHBondContact O-N 3.35Å; A6-I9 PolarHBondContact O-N 3.13Å; F7-I9 PolarHBondContact O-N 3.12Å; I9-F11 VanDerWaalsContact C-N 3.34Å; I9-F11 PolarHBondContact O-N 2.89Å; I9-H12 PolarHBondContact O-N 3.43Å; I9-I13 HydrophobicContact CG2-CD1 3.69Å; I9-I13 HydrophobicContact CG2-CG1 4.42Å; I9-I13 VanDerWaalsContact O-CG1 3.31Å; I9-I13 WeakPolarHBondContact O-CG1 3.24Å; I9-I13 PolarHBondContact O-N 3.42Å; I9-F79 HydrophobicContact CG2-CE2 4.05Å; I9-F79 HydrophobicContact CG2-CZ 4.08Å; I9-F82 HydrophobicContact CG1-CE1 3.83Å
10A97Very high94.1Very high50 Ų5062 Ų6241%0.41334%0.344SS..Hα-helixtrans-58.7-46.3178.400000111.3A6 F7 H12 I13 T14A6-A10 VanDerWaalsContact O-CB 3.3Å; A6-A10 WeakPolarHBondContact O-CB 3.1Å; A6-A10 PolarHBondContact O-N 3Å; F7-A10 PolarHBondContact O-N 3.45Å; A10-H12 VanDerWaalsContact C-N 3.34Å; A10-H12 PolarHBondContact O-N 3.43Å; A10-I13 PolarHBondContact O-N 2.84Å; A10-T14 PolarHBondContact O-N 3.23Å; A10-T14 PolarHBondContact O-OG1 2.85Å; A10-T14 VanDerWaalsContact O-OG1 3.04Å
11F97.5Very high94.4Very high47 Ų4762.4 Ų62.421%0.20635%0.345CS..Hα-helixtrans-61.8-40178.6-172.4-107000112.7F7 I8 I9 T14 S15 C152 V155F7-F11 VanDerWaalsContact O-CB 3.26Å; F7-F11 WeakPolarHBondContact O-CB 3.27Å; F7-F11 PolarHBondContact O-N 3.31Å; I8-F11 PolarHBondContact O-N 3.32Å; I9-F11 VanDerWaalsContact C-N 3.34Å; I9-F11 PolarHBondContact O-N 2.89Å; F11-T14 PolarHBondContact O-N 3.28Å; F11-S15 PolarHBondContact O-N 3.5Å; F11-S15 PolarHBondContact O-OG 3.46Å; F11-C152 VanDerWaalsContact CE1-O 3.32Å; F11-C152 WeakPolarHBondContact CE1-O 3.49Å; F11-C152 HydrophobicContact CZ-CB 4.01Å; F11-V155 HydrophobicContact CE1-CB 4.28Å; F11-V155 HydrophobicContact CE1-CG1 4.08Å; F11-V155 HydrophobicContact CZ-CB 4.23Å; F11-V155 HydrophobicContact CZ-CG1 4.07Å
12H97.6Very high95.4Very high1 Ų155.9 Ų55.91%0.00531%0.313CS..Hα-helixtrans-66.1-43.8175-159114.3000111.8I8 I9 A10 S15 A16 C75 F79 Q102 Y160I8-H12 PolarHBondContact O-N 3.16Å; I9-H12 PolarHBondContact O-N 3.43Å; A10-H12 VanDerWaalsContact C-N 3.34Å; A10-H12 PolarHBondContact O-N 3.43Å; H12-S15 WeakPolarHBondContact O-CB 3.4Å; H12-S15 PolarHBondContact O-N 2.96Å; H12-A16 PolarHBondContact O-N 3.28Å; H12-C75 PolarHBondContact NE2-O 2.87Å; H12-F79 HydrophobicContact CB-CD2 4.08Å; H12-F79 HydrophobicContact CB-CE2 4.47Å; H12-F79 AromaticContact CD2-CD2 3.7Å; H12-F79 AromaticContact CG-CD2 3.8Å; H12-Q102 VanDerWaalsContact CE1-CD 3.46Å; H12-Q102 PolarHBondContact CE1-OE1 3.41Å; H12-Q102 PolarHBondContact NE2-OE1 2.98Å; H12-Y160 AromaticContact CE1-CE2 3.9Å; H12-Y160 AromaticContact ND1-CE2 3.37Å; H12-Y160 WeakPolarHBondContact ND1-CE2 3.49Å; H12-Y160 AromaticContact ND1-CZ 3.51Å; H12-Y160 PolarHBondContact ND1-OH 3.38Å
13I98Very high96.1Very high90 Ų9049.8 Ų49.846%0.46228%0.281SS..Hα-helixtrans-62.5-43.4176.7-68.7170000110.6I9 A10 S15 A16 A17 F79I9-I13 HydrophobicContact CG2-CD1 3.69Å; I9-I13 HydrophobicContact CG2-CG1 4.42Å; I9-I13 VanDerWaalsContact O-CG1 3.31Å; I9-I13 WeakPolarHBondContact O-CG1 3.24Å; I9-I13 PolarHBondContact O-N 3.42Å; A10-I13 PolarHBondContact O-N 2.84Å; I13-S15 VanDerWaalsContact C-N 3.34Å; I13-S15 PolarHBondContact O-N 3Å; I13-A16 PolarHBondContact O-N 3.42Å; I13-A17 WeakPolarHBondContact O-CB 3.42Å; I13-A17 PolarHBondContact O-N 3.41Å; I13-F79 HydrophobicContact CD1-CZ 4.26Å; I13-F79 HydrophobicContact CG1-CE2 4.29Å; I13-F79 HydrophobicContact CG1-CZ 4.17Å
14T98.1Very high96.5Very high75 Ų7548.9 Ų48.946%0.4627%0.271SS..Hα-helixtrans-58.8-46.8173.9-60.10000110.7A10 F11 A16 A17 L18A10-T14 PolarHBondContact O-N 3.23Å; A10-T14 PolarHBondContact O-OG1 2.85Å; A10-T14 VanDerWaalsContact O-OG1 3.04Å; F11-T14 PolarHBondContact O-N 3.28Å; T14-A16 VanDerWaalsContact C-N 3.3Å; T14-A16 PolarHBondContact O-N 2.93Å; T14-A17 PolarHBondContact O-N 2.88Å; T14-L18 HydrophobicContact CG2-CD1 4.44Å; T14-L18 HydrophobicContact CG2-CG 4.47Å; T14-L18 WeakPolarHBondContact O-CG 3.26Å; T14-L18 PolarHBondContact O-N 3.39Å
15S98.1Very high96.8Very high0 Ų046.7 Ų46.70%026%0.26CS..Hα-helixtrans-57.4-43.9176.8-54.50000111.9F11 H12 I13 L18 L19 C152F11-S15 PolarHBondContact O-N 3.5Å; F11-S15 PolarHBondContact O-OG 3.46Å; H12-S15 WeakPolarHBondContact O-CB 3.4Å; H12-S15 PolarHBondContact O-N 2.96Å; I13-S15 VanDerWaalsContact C-N 3.34Å; I13-S15 PolarHBondContact O-N 3Å; S15-L18 PolarHBondContact O-N 3.49Å; S15-L19 WeakPolarHBondContact O-CG 3.23Å; S15-L19 PolarHBondContact O-N 3.45Å; S15-L19 VanDerWaalsContact O-N 3.07Å; S15-C152 WeakPolarHBondContact OG-CB 3.36Å
16A98.3Very high96.9Very high16 Ų1645.5 Ų45.513%0.13225%0.254CS..Hα-helixtrans-65.2-4317700000112.1H12 I13 T14 L18 L19 F20H12-A16 PolarHBondContact O-N 3.28Å; I13-A16 PolarHBondContact O-N 3.42Å; T14-A16 VanDerWaalsContact C-N 3.3Å; T14-A16 PolarHBondContact O-N 2.93Å; A16-L18 VanDerWaalsContact C-N 3.33Å; A16-L18 PolarHBondContact O-N 3.43Å; A16-L19 WeakPolarHBondContact O-CB 3.46Å; A16-L19 PolarHBondContact O-N 3.25Å; A16-F20 VanDerWaalsContact O-CD2 3.23Å; A16-F20 WeakPolarHBondContact O-CD2 3.34Å; A16-F20 PolarHBondContact O-N 3.42Å
17A98.5Very high97.1Very high46 Ų4642.8 Ų42.838%0.3823%0.232SC..Hα-helixtrans-60.6-42.8176.800000111.7I13 T14 L19 F20 I21I13-A17 WeakPolarHBondContact O-CB 3.42Å; I13-A17 PolarHBondContact O-N 3.41Å; T14-A17 PolarHBondContact O-N 2.88Å; A17-L19 PolarHBondContact O-N 2.74Å; A17-F20 PolarHBondContact O-N 2.92Å; A17-I21 VanDerWaalsContact O-CG1 3.29Å; A17-I21 WeakPolarHBondContact O-CG1 3.04Å; A17-I21 PolarHBondContact O-N 2.85Å
18L98.5Very high97.3Very high27 Ų2736.4 Ų36.414%0.14120%0.203CC..Hα-helixtrans-61-43.3174.8-65.7-177.6000111.9T14 S15 A16 I21 A22 L145 V148 A149T14-L18 HydrophobicContact CG2-CD1 4.44Å; T14-L18 HydrophobicContact CG2-CG 4.47Å; T14-L18 WeakPolarHBondContact O-CG 3.26Å; T14-L18 PolarHBondContact O-N 3.39Å; S15-L18 PolarHBondContact O-N 3.49Å; A16-L18 VanDerWaalsContact C-N 3.33Å; A16-L18 PolarHBondContact O-N 3.43Å; L18-I21 PolarHBondContact O-N 2.88Å; L18-A22 VanDerWaalsContact O-CB 3.26Å; L18-A22 WeakPolarHBondContact O-CB 3.34Å; L18-A22 PolarHBondContact O-N 3.01Å; L18-L145 HydrophobicContact CD2-CD1 4.39Å; L18-L145 HydrophobicContact CD2-CD2 3.89Å; L18-V148 HydrophobicContact CD1-CB 4.44Å; L18-V148 HydrophobicContact CD1-CG1 3.72Å; L18-A149 HydrophobicContact CB-CB 3.98Å
19L98.6Very high97.5Very high0 Ų037.2 Ų37.20%021%0.206CC..Hα-helixtrans-62.3-41.3174.9-72174.8000112.7S15 A16 A17 T23 C75 V109 A149 T153S15-L19 WeakPolarHBondContact O-CG 3.23Å; S15-L19 PolarHBondContact O-N 3.45Å; S15-L19 VanDerWaalsContact O-N 3.07Å; A16-L19 WeakPolarHBondContact O-CB 3.46Å; A16-L19 PolarHBondContact O-N 3.25Å; A17-L19 PolarHBondContact O-N 2.74Å; L19-T23 WeakPolarHBondContact O-CB 3.28Å; L19-T23 PolarHBondContact O-N 3.36Å; L19-T23 PolarHBondContact O-OG1 3.44Å; L19-C75 HydrophobicContact CD1-CB 3.54Å; L19-V109 HydrophobicContact CD2-CG1 4.35Å; L19-V109 HydrophobicContact CD2-CG2 3.33Å; L19-A149 HydrophobicContact CD2-CB 3.58Å; L19-A149 HydrophobicContact CG-CB 3.94Å; L19-T153 HydrophobicContact CD1-CG2 4.04Å
20F98.5Very high97.6Very high91 Ų9136.2 Ų36.240%0.39920%0.202SC..Hα-helixtrans-62.7-46.4176.2-88.2-69000111.7A16 A17 T23 I24 T72A16-F20 VanDerWaalsContact O-CD2 3.23Å; A16-F20 WeakPolarHBondContact O-CD2 3.34Å; A16-F20 PolarHBondContact O-N 3.42Å; A17-F20 PolarHBondContact O-N 2.92Å; F20-T23 PolarHBondContact O-N 3.2Å; F20-I24 HydrophobicContact CB-CD1 4.46Å; F20-I24 HydrophobicContact CD1-CD1 3.83Å; F20-I24 VanDerWaalsContact O-CB 3.29Å; F20-I24 WeakPolarHBondContact O-CB 3.45Å; F20-I24 VanDerWaalsContact O-CG1 3.3Å; F20-I24 WeakPolarHBondContact O-CG1 3.16Å; F20-I24 PolarHBondContact O-N 3.21Å; F20-T72 HydrophobicContact CD1-CG2 3.83Å; F20-T72 HydrophobicContact CD2-CG2 4.06Å; F20-T72 HydrophobicContact CE1-CG2 3.58Å; F20-T72 HydrophobicContact CE2-CG2 3.81Å; F20-T72 HydrophobicContact CG-CG2 4.07Å; F20-T72 HydrophobicContact CZ-CG2 3.56Å
21I98.4Very high97.5Very high72 Ų7235 Ų3537%0.36919%0.194SC..Hα-helixtrans-63.4-49.8178.9-62.5162.9000109.9A17 L18 T23 I24 D25 Y141 L145A17-I21 VanDerWaalsContact O-CG1 3.29Å; A17-I21 WeakPolarHBondContact O-CG1 3.04Å; A17-I21 PolarHBondContact O-N 2.85Å; L18-I21 PolarHBondContact O-N 2.88Å; I21-T23 PolarHBondContact O-N 3.01Å; I21-I24 PolarHBondContact O-N 3.33Å; I21-D25 PolarHBondContact O-N 2.66Å; I21-Y141 HydrophobicContact CG2-CE2 3.87Å; I21-L145 HydrophobicContact CB-CD1 4.03Å; I21-L145 HydrophobicContact CD1-CD1 4.49Å; I21-L145 HydrophobicContact CG2-CD1 3.52Å
22A98.4Very high97.1Very high0 Ų040.8 Ų40.80%023%0.228CC..Hα-helixtrans-61.2-32.4178.400000112.5L18 W28 M68 S142 L145 A146L18-A22 VanDerWaalsContact O-CB 3.26Å; L18-A22 WeakPolarHBondContact O-CB 3.34Å; L18-A22 PolarHBondContact O-N 3.01Å; A22-W28 PolarHBondContact O-NE1 2.96Å; A22-M68 HydrophobicContact CB-CE 3.94Å; A22-S142 WeakPolarHBondContact CB-O 3.21Å; A22-L145 HydrophobicContact CB-CB 4.19Å; A22-A146 HydrophobicContact CB-CB 4.11Å
23T98.3Very high96.8Very high10 Ų1046.8 Ų46.86%0.06126%0.256CS..Hα-helixtrans-81.4-42.9179.4-570000111.9L19 F20 I21 W39 M68 I69 T72L19-T23 WeakPolarHBondContact O-CB 3.28Å; L19-T23 PolarHBondContact O-N 3.36Å; L19-T23 PolarHBondContact O-OG1 3.44Å; F20-T23 PolarHBondContact O-N 3.2Å; I21-T23 PolarHBondContact O-N 3.01Å; T23-W39 HydrophobicContact CG2-CZ2 4.15Å; T23-W39 PolarHBondContact O-NE1 2.79Å; T23-M68 HydrophobicContact CG2-CB 3.98Å; T23-M68 WeakPolarHBondContact OG1-CE 3.47Å; T23-I69 HydrophobicContact CG2-CG1 4.46Å; T23-T72 PolarHBondContact OG1-OG1 3.46Å
24I97.9Very high96.6Very high108 Ų10843.1 Ų43.155%0.55424%0.236SC*.Hα-helixtrans-83.4-40.3-169-68.1171.1000111.8F20 I21F20-I24 HydrophobicContact CB-CD1 4.46Å; F20-I24 HydrophobicContact CD1-CD1 3.83Å; F20-I24 VanDerWaalsContact O-CB 3.29Å; F20-I24 WeakPolarHBondContact O-CB 3.45Å; F20-I24 VanDerWaalsContact O-CG1 3.3Å; F20-I24 WeakPolarHBondContact O-CG1 3.16Å; F20-I24 PolarHBondContact O-N 3.21Å; I21-I24 PolarHBondContact O-N 3.33Å
25D95.4Very high96.5Very high54 Ų5443.8 Ų43.829%0.28923%0.233SC..  trans-87.9133.7-169.6-169.539.5000113.1I21 A27 Y141 S142I21-D25 PolarHBondContact O-N 2.66Å; D25-A27 PolarHBondContact O-N 2.98Å; D25-A27 WeakPolarHBondContact OD2-CB 3.26Å; D25-Y141 PolarHBondContact OD2-OH 3.36Å; D25-S142 PolarHBondContact O-OG 3.08Å
26N92.5Very high96.4Very high22 Ų2243.8 Ų43.812%0.11823%0.233CC..SBendtrans-84.945.9-173.6-60.7-87.2000111.1F35 A36 D37 W39 R40N26-F35 CarbonylContact O-C 3.58Å; N26-F35 WeakPolarHBondContact O-CB 3.37Å; N26-A36 CarbonylContact C-O 3.55Å; N26-A36 CarbonylContact O-C 3.46Å; N26-A36 PolarHBondContact O-N 2.84Å; N26-A36 VanDerWaalsContact O-O 3.08Å; N26-D37 PolarHBondContact OD1-O 3.05Å; N26-W39 WeakPolarHBondContact OD1-CA 3.3Å; N26-W39 WeakPolarHBondContact OD1-CB 3.32Å; N26-W39 PolarHBondContact OD1-N 3.42Å; N26-R40 PolarHBondContact OD1-N 3.48Å
27A96.8Very high96.2Very high0 Ų043 Ų430%023%0.227CC..  trans-116.542.7-179.400000110.6D25 V30 F35 G140 Y141 S142D25-A27 PolarHBondContact O-N 2.98Å; D25-A27 WeakPolarHBondContact OD2-CB 3.26Å; A27-V30 HydrophobicContact CB-CG1 3.91Å; A27-F35 HydrophobicContact CB-CD1 4.29Å; A27-G140 CarbonylContact O-C 3.44Å; A27-G140 WeakPolarHBondContact O-CA 3.26Å; A27-Y141 HydrophobicContact CB-CD1 3.77Å; A27-Y141 HydrophobicContact CB-CE1 3.39Å; A27-Y141 PolarHBondContact O-N 3.01Å; A27-S142 WeakPolarHBondContact O-CB 3.34Å; A27-S142 PolarHBondContact O-N 2.86Å; A27-S142 VanDerWaalsContact O-N 3.09Å
28W98.2Very high96.1Very high0 Ų040.9 Ų40.90%021%0.209CC..SBendtrans-83.7-32.9173.2-83.456.4000111.2A22 A36 D37 V38 V64 M68 Y116 G140 Y143 A146A22-W28 PolarHBondContact O-NE1 2.96Å; W28-A36 PolarHBondContact N-O 2.73Å; W28-D37 HydrophobicContact CB-CB 3.94Å; W28-V38 HydrophobicContact CB-CG2 4.29Å; W28-V38 HydrophobicContact CD2-CG2 3.46Å; W28-V38 VanDerWaalsContact CD2-CG2 3.46Å; W28-V38 HydrophobicContact CE3-CG2 4.18Å; W28-V38 HydrophobicContact CG-CG2 3.47Å; W28-V38 VanDerWaalsContact CG-CG2 3.47Å; W28-V38 HydrophobicContact CZ2-CG2 4.04Å; W28-V38 VanDerWaalsContact NE1-CG2 3.28Å; W28-V64 HydrophobicContact CH2-CG1 4.12Å; W28-V64 HydrophobicContact CZ3-CG1 4.04Å; W28-M68 HydrophobicContact CH2-CE 4.49Å; W28-M68 HydrophobicContact CH2-CG 4.13Å; W28-M68 HydrophobicContact CH2-SD 3.88Å; W28-M68 HydrophobicContact CZ2-CE 3.89Å; W28-M68 HydrophobicContact CZ2-CG 4.07Å; W28-M68 HydrophobicContact CZ2-SD 3.87Å; W28-Y116 HydrophobicContact CB-CE1 4.31Å; W28-Y116 HydrophobicContact CB-CE2 4.5Å; W28-Y116 AromaticContact CE3-CD1 3.49Å; W28-Y116 HydrophobicContact CE3-CD1 3.49Å; W28-Y116 VanDerWaalsContact CE3-CD1 3.49Å; W28-Y116 AromaticContact CE3-CD2 3.89Å; W28-Y116 HydrophobicContact CE3-CD2 3.89Å; W28-Y116 AromaticContact CE3-CE1 3.76Å; W28-Y116 HydrophobicContact CE3-CE1 3.76Å; W28-Y116 HydrophobicContact CE3-CE2 4.18Å; W28-Y116 AromaticContact CE3-CG 3.53Å; W28-Y116 HydrophobicContact CE3-CG 3.53Å; W28-Y116 AromaticContact CZ3-CD1 3.87Å; W28-Y116 HydrophobicContact CZ3-CD1 3.87Å; W28-Y116 HydrophobicContact CZ3-CD2 4.31Å; W28-Y116 AromaticContact CZ3-CG 3.69Å; W28-Y116 HydrophobicContact CZ3-CG 3.69Å; W28-G140 PolarHBondContact O-N 3.11Å; W28-Y143 AromaticContact CE3-CD2 3.89Å; W28-Y143 HydrophobicContact CE3-CD2 3.89Å; W28-Y143 HydrophobicContact CZ3-CD2 4.1Å; W28-A146 HydrophobicContact CH2-CB 4.13Å; W28-A146 HydrophobicContact CZ2-CB 3.97Å
29W97.6Very high96Very high24 Ų2442.9 Ų42.99%0.09122%0.215CC..EExtended strand (participates in β ladder)trans-126130.6167.7-168.8-116.3000109.6F34 A36 D37 R120 H124 T134 G137 S138 Y139W29-F34 AromaticContact CD1-CE2 3.38Å; W29-F34 AromaticContact CD1-CZ 3.94Å; W29-F34 HydrophobicContact CG-CE2 4.25Å; W29-F34 AromaticContact NE1-CE2 3.77Å; W29-F34 AromaticContact NE1-CZ 3.83Å; W29-A36 HydrophobicContact CB-CB 4.35Å; W29-A36 PolarHBondContact N-O 3.3Å; W29-A36 VanDerWaalsContact N-O 3.17Å; W29-A36 PolarHBondContact O-N 3.4Å; W29-D37 VanDerWaalsContact CB-OD2 3.3Å; W29-D37 WeakPolarHBondContact CB-OD2 3.3Å; W29-R120 VanDerWaalsContact CZ3-NH1 3.28Å; W29-H124 AromaticContact CD1-CE1 3.57Å; W29-H124 AromaticContact CG-CE1 3.75Å; W29-H124 AromaticContact NE1-CE1 3.84Å; W29-T134 PolarHBondContact NE1-O 3.29Å; W29-G137 WeakPolarHBondContact CH2-O 3.18Å; W29-G137 VanDerWaalsContact CZ2-CA 3.45Å; W29-G137 WeakPolarHBondContact CZ2-O 3.41Å; W29-S138 VanDerWaalsContact CE3-O 3.28Å; W29-Y139 HydrophobicContact CZ3-CG 4.47Å
30V97Very high95.9Very high27 Ų2748.6 Ų48.616%0.16424%0.236CC..EExtended strand (participates in β ladder)trans-138.7150.1-174.3-59.90000111.9A27 F34 F35 G137 S138A27-V30 HydrophobicContact CB-CG1 3.91Å; V30-F34 VanDerWaalsContact C-CE2 3.46Å; V30-F35 HydrophobicContact CB-CD1 4.38Å; V30-F35 HydrophobicContact CG1-CD1 3.66Å; V30-F35 HydrophobicContact CG1-CE1 4.2Å; V30-G137 CarbonylContact O-C 3.56Å; V30-G137 VanDerWaalsContact O-CA 3.26Å; V30-G137 WeakPolarHBondContact O-CA 3.37Å; V30-S138 PolarHBondContact N-O 2.99Å; V30-S138 PolarHBondContact O-N 2.73Å
31G94.5Very high95.7Very high24 Ų2444.3 Ų44.325%0.24722%0.217CC..EExtended strand (participates in β ladder)trans-147.5-174.9167.900000110E33 F34G31-E33 PolarHBondContact O-N 3.04Å; G31-E33 VanDerWaalsContact O-N 3.16Å; G31-F34 PolarHBondContact N-O 3.41Å; G31-F34 VanDerWaalsContact N-O 3.1Å
32D90.3Very high95.5Very high170 Ų17041.8 Ų41.891%0.90921%0.206SC*.THydrogen-bonded Turntrans-59.6-31.4-172.1-67.7-29000113.6
33E91.1Very high95.2Very high127 Ų12742.2 Ų42.259%0.59321%0.208SC*.THydrogen-bonded Turntrans-126.114.1-175-59-167.4159.400114G31 N44G31-E33 PolarHBondContact O-N 3.04Å; G31-E33 VanDerWaalsContact O-N 3.16Å; E33-N44 PolarHBondContact O-N 3.23Å
34F94.4Very high94.6Very high12 Ų1246 Ų465%0.05323%0.229CC..EExtended strand (participates in β ladder)trans-149.6153.9-179.173.1-97000114.4W29 V30 G31 A36 C42 T43 M133 T134W29-F34 AromaticContact CD1-CE2 3.38Å; W29-F34 AromaticContact CD1-CZ 3.94Å; W29-F34 HydrophobicContact CG-CE2 4.25Å; W29-F34 AromaticContact NE1-CE2 3.77Å; W29-F34 AromaticContact NE1-CZ 3.83Å; V30-F34 VanDerWaalsContact C-CE2 3.46Å; G31-F34 PolarHBondContact N-O 3.41Å; G31-F34 VanDerWaalsContact N-O 3.1Å; F34-A36 HydrophobicContact CD2-CB 4.49Å; F34-C42 CarbonylContact C-O 3.47Å; F34-C42 WeakPolarHBondContact CA-O 3.38Å; F34-C42 WeakPolarHBondContact CB-O 3.43Å; F34-T43 HydrophobicContact CB-CG2 4.14Å; F34-M133 VanDerWaalsContact CD1-O 3.24Å; F34-M133 WeakPolarHBondContact CD1-O 3.22Å; F34-T134 HydrophobicContact CB-CG2 4.35Å; F34-T134 HydrophobicContact CD1-CG2 4.37Å; F34-T134 HydrophobicContact CD2-CG2 3.65Å; F34-T134 VanDerWaalsContact CE1-CA 3.46Å; F34-T134 HydrophobicContact CE2-CG2 3.99Å; F34-T134 HydrophobicContact CG-CG2 3.86Å; F34-T134 VanDerWaalsContact CZ-CA 3.48Å; F34-T134 HydrophobicContact CZ-CG2 4.44Å; F34-T134 VanDerWaalsContact CZ-O 3.23Å; F34-T134 WeakPolarHBondContact CZ-O 3.16Å
35F95.3Very high93.5Very high89 Ų8946.1 Ų46.139%0.3923%0.23SC..EExtended strand (participates in β ladder)trans-135.3128.2172.2-58.1-90.6000108.1N26 A27 V30 C42N26-F35 CarbonylContact O-C 3.58Å; N26-F35 WeakPolarHBondContact O-CB 3.37Å; A27-F35 HydrophobicContact CB-CD1 4.29Å; V30-F35 HydrophobicContact CB-CD1 4.38Å; V30-F35 HydrophobicContact CG1-CD1 3.66Å; V30-F35 HydrophobicContact CG1-CE1 4.2Å; F35-C42 PolarHBondContact N-O 2.89Å; F35-C42 WeakPolarHBondContact O-CA 3.21Å; F35-C42 WeakPolarHBondContact O-CB 3.46Å; F35-C42 PolarHBondContact O-N 3.44Å
36A95.2Very high92.6Very high0 Ų049.3 Ų49.30%025%0.252CS..EExtended strand (participates in β ladder)trans-140.9170.5-172.400000114.7N26 W28 W29 F34 R40 I41N26-A36 CarbonylContact C-O 3.55Å; N26-A36 CarbonylContact O-C 3.46Å; N26-A36 PolarHBondContact O-N 2.84Å; N26-A36 VanDerWaalsContact O-O 3.08Å; W28-A36 PolarHBondContact N-O 2.73Å; W29-A36 HydrophobicContact CB-CB 4.35Å; W29-A36 PolarHBondContact N-O 3.3Å; W29-A36 VanDerWaalsContact N-O 3.17Å; W29-A36 PolarHBondContact O-N 3.4Å; F34-A36 HydrophobicContact CD2-CB 4.49Å; A36-R40 CarbonylContact C-O 3.22Å; A36-R40 WeakPolarHBondContact CA-O 3.07Å; A36-I41 HydrophobicContact CB-CB 4.39Å; A36-I41 HydrophobicContact CB-CG1 4.39Å; A36-I41 HydrophobicContact CB-CG2 4.06Å
37D94.8Very high92.5Very high1 Ų152.7 Ų52.71%0.00527%0.27CS..EExtended strand (participates in β ladder)trans77.7179.7174-60.4-34.9000115.8N26 W28 W29 W39 R40 Y116 H124 Y131N26-D37 PolarHBondContact OD1-O 3.05Å; W28-D37 HydrophobicContact CB-CB 3.94Å; W29-D37 VanDerWaalsContact CB-OD2 3.3Å; W29-D37 WeakPolarHBondContact CB-OD2 3.3Å; D37-W39 PolarHBondContact O-N 3.42Å; D37-R40 PolarHBondContact N-O 3Å; D37-Y116 HydrophobicContact CB-CE2 3.75Å; D37-Y116 WeakPolarHBondContact OD2-CE2 3.19Å; D37-Y116 VanDerWaalsContact OD2-CZ 3.31Å; D37-Y116 PolarHBondContact OD2-OH 2.69Å; D37-H124 IonicContact OD1-NE2 2.81Å; D37-H124 PolarHBondContact OD1-NE2 2.88Å; D37-H124 IonicContact OD2-CE1 2.69Å; D37-H124 IonicContact OD2-NE2 3.29Å; D37-H124 PolarHBondContact OD2-NE2 3.36Å; D37-Y131 WeakPolarHBondContact OD1-CE1 3.45Å; D37-Y131 PolarHBondContact OD1-OH 3.34Å
38V95.7Very high92.3Very high0 Ų055.4 Ų55.40%029%0.288CS..THydrogen-bonded Turntrans54.9-61.8-160.3-165.20000114.3W28 Q65W28-V38 HydrophobicContact CB-CG2 4.29Å; W28-V38 HydrophobicContact CD2-CG2 3.46Å; W28-V38 VanDerWaalsContact CD2-CG2 3.46Å; W28-V38 HydrophobicContact CE3-CG2 4.18Å; W28-V38 HydrophobicContact CG-CG2 3.47Å; W28-V38 VanDerWaalsContact CG-CG2 3.47Å; W28-V38 HydrophobicContact CZ2-CG2 4.04Å; W28-V38 VanDerWaalsContact NE1-CG2 3.28Å; V38-Q65 HydrophobicContact CG1-CG 4.29Å; V38-Q65 WeakPolarHBondContact O-CG 3.41Å; V38-Q65 PolarHBondContact O-NE2 3.14Å
39W97.1Very high92.1Very high70 Ų7057.6 Ų57.627%0.26530%0.301SS..THydrogen-bonded Turntrans-120.8-34.3-177.5-48.1102000114.1T23 N26 D37 I51 Q65 I69T23-W39 HydrophobicContact CG2-CZ2 4.15Å; T23-W39 PolarHBondContact O-NE1 2.79Å; N26-W39 WeakPolarHBondContact OD1-CA 3.3Å; N26-W39 WeakPolarHBondContact OD1-CB 3.32Å; N26-W39 PolarHBondContact OD1-N 3.42Å; D37-W39 PolarHBondContact O-N 3.42Å; W39-I51 PolarHBondContact O-N 3.32Å; W39-Q65 HydrophobicContact CE3-CG 3.99Å; W39-Q65 HydrophobicContact CH2-CB 3.7Å; W39-Q65 HydrophobicContact CH2-CG 3.89Å; W39-Q65 HydrophobicContact CZ3-CB 3.76Å; W39-Q65 HydrophobicContact CZ3-CG 3.59Å; W39-I69 HydrophobicContact CH2-CD1 3.5Å; W39-I69 VanDerWaalsContact CH2-CD1 3.5Å; W39-I69 HydrophobicContact CH2-CG1 3.92Å; W39-I69 HydrophobicContact CZ2-CD1 4.23Å; W39-I69 HydrophobicContact CZ2-CG1 4.19Å; W39-I69 HydrophobicContact CZ3-CD1 4.4Å
40R95.6Very high92Very high120 Ų12060.4 Ų60.445%0.45332%0.321SS..EExtended strand (participates in β ladder)trans-146.3157.1-167.3-57.8-176.4-175.3-157.2-0.6111.8N26 A36 D37 T49 V50N26-R40 PolarHBondContact OD1-N 3.48Å; A36-R40 CarbonylContact C-O 3.22Å; A36-R40 WeakPolarHBondContact CA-O 3.07Å; D37-R40 PolarHBondContact N-O 3Å; R40-T49 CarbonylContact C-O 3.4Å; R40-T49 WeakPolarHBondContact CA-O 3.4Å; R40-T49 WeakPolarHBondContact CB-O 3.35Å; R40-V50 HydrophobicContact CG-CG2 4.34Å
41I95.3Very high92Very high1 Ų159.3 Ų59.31%0.00531%0.314CS..EExtended strand (participates in β ladder)trans-117.1111.2169.8-53.4161.3000106.3A36 T43 C48 T49 I51 F55 F130 Y131 T134A36-I41 HydrophobicContact CB-CB 4.39Å; A36-I41 HydrophobicContact CB-CG1 4.39Å; A36-I41 HydrophobicContact CB-CG2 4.06Å; I41-T43 HydrophobicContact CG2-CG2 4.35Å; I41-C48 CarbonylContact O-C 3.11Å; I41-C48 VanDerWaalsContact O-CA 3.31Å; I41-C48 WeakPolarHBondContact O-CA 3.37Å; I41-T49 PolarHBondContact N-O 3.31Å; I41-T49 PolarHBondContact O-N 3.17Å; I41-T49 PolarHBondContact O-OG1 3.43Å; I41-I51 HydrophobicContact CD1-CD1 4.45Å; I41-I51 HydrophobicContact CD1-CG1 4.13Å; I41-I51 HydrophobicContact CG1-CD1 4.03Å; I41-I51 HydrophobicContact CG1-CG1 3.97Å; I41-F55 HydrophobicContact CD1-CE1 3.52Å; I41-F55 HydrophobicContact CD1-CZ 3.66Å; I41-F130 HydrophobicContact CD1-CB 3.85Å; I41-Y131 HydrophobicContact CD1-CD1 4.21Å; I41-Y131 HydrophobicContact CD1-CD2 4.11Å; I41-Y131 HydrophobicContact CD1-CE1 3.64Å; I41-Y131 HydrophobicContact CD1-CE2 3.56Å; I41-Y131 HydrophobicContact CD1-CG 4.42Å; I41-Y131 WeakPolarHBondContact CD1-OH 3.35Å; I41-Y131 HydrophobicContact CG1-CE1 3.82Å; I41-T134 HydrophobicContact CG2-CG2 3.99Å
42C94.6Very high91.9Very high18 Ų1861.1 Ų61.112%0.12232%0.318CS..EExtended strand (participates in β ladder)trans-110.3121.2-178.6-67.70000110.1F34 F35 N47 C48F34-C42 CarbonylContact C-O 3.47Å; F34-C42 WeakPolarHBondContact CA-O 3.38Å; F34-C42 WeakPolarHBondContact CB-O 3.43Å; F35-C42 PolarHBondContact N-O 2.89Å; F35-C42 WeakPolarHBondContact O-CA 3.21Å; F35-C42 WeakPolarHBondContact O-CB 3.46Å; F35-C42 PolarHBondContact O-N 3.44Å; C42-N47 CarbonylContact C-O 3.52Å; C42-N47 WeakPolarHBondContact CA-O 3.36Å; C42-C48 HydrophobicContact CB-CB 4.16Å; C42-C48 WeakPolarHBondContact CB-SG 3.4Å; C42-C48 WeakPolarHBondContact SG-CB 3.38Å; C42-C48 CovalentContact SG-SG 2.04Å; C42-C48 PolarHBondContact SG-SG 2.8Å
43T92.4Very high92.1Very high9 Ų959.4 Ų59.46%0.05531%0.309CS..EExtended strand (participates in β ladder)trans-122.7150.4-178.456.30000110.1F34 I41 N45 T46 N47 M133 T134F34-T43 HydrophobicContact CB-CG2 4.14Å; I41-T43 HydrophobicContact CG2-CG2 4.35Å; T43-N45 PolarHBondContact O-N 3.47Å; T43-N45 VanDerWaalsContact O-N 3.08Å; T43-T46 PolarHBondContact O-N 3.22Å; T43-N47 PolarHBondContact N-O 2.93Å; T43-N47 PolarHBondContact O-N 2.94Å; T43-N47 PolarHBondContact OG1-O 3.27Å; T43-M133 HydrophobicContact CG2-CB 3.97Å; T43-M133 HydrophobicContact CG2-CE 3.91Å; T43-M133 WeakPolarHBondContact OG1-CE 3.24Å; T43-T134 HydrophobicContact CG2-CG2 4.27Å
44N85.9Confident92.2Very high91 Ų9156.9 Ų56.949%0.48731%0.306SS..THydrogen-bonded Turntrans49.733.4-174.1-65.3-3.2000112.9E33 T46E33-N44 PolarHBondContact O-N 3.23Å; N44-T46 PolarHBondContact O-N 2.95Å; N44-T46 PolarHBondContact O-OG1 3.5Å
45N73.2Confident92.1Very high109 Ų10956.8 Ų56.858%0.58331%0.305SS*.THydrogen-bonded Turntrans52.37.2-177.4-66.1-24.7000117.2T43T43-N45 PolarHBondContact O-N 3.47Å; T43-N45 VanDerWaalsContact O-N 3.08Å
46T77.8Confident92.1Very high121 Ų12158.1 Ų58.174%0.74231%0.313SS*.THydrogen-bonded Turntrans-139.9-31.4-169.251.60000113T43 N44T43-T46 PolarHBondContact O-N 3.22Å; N44-T46 PolarHBondContact O-N 2.95Å; N44-T46 PolarHBondContact O-OG1 3.5Å
47N89.3Confident91.9Very high93 Ų9361.1 Ų61.150%0.49733%0.327SS..EExtended strand (participates in β ladder)trans-96.3100.6-179.2-168.7-0.7000110.1C42 T43C42-N47 CarbonylContact C-O 3.52Å; C42-N47 WeakPolarHBondContact CA-O 3.36Å; T43-N47 PolarHBondContact N-O 2.93Å; T43-N47 PolarHBondContact O-N 2.94Å; T43-N47 PolarHBondContact OG1-O 3.27Å
48C93.6Very high91.9Very high57 Ų5763.5 Ų63.539%0.38534%0.336SS..EExtended strand (participates in β ladder)trans-109.8120.5179.7-65.40000111.2I41 C42I41-C48 CarbonylContact O-C 3.11Å; I41-C48 VanDerWaalsContact O-CA 3.31Å; I41-C48 WeakPolarHBondContact O-CA 3.37Å; C42-C48 HydrophobicContact CB-CB 4.16Å; C42-C48 WeakPolarHBondContact CB-SG 3.4Å; C42-C48 WeakPolarHBondContact SG-CB 3.38Å; C42-C48 CovalentContact SG-SG 2.04Å; C42-C48 PolarHBondContact SG-SG 2.8Å
49T94.3Very high91.9Very high46 Ų4667.4 Ų67.428%0.28236%0.363SS..EExtended strand (participates in β ladder)trans-98.2137.8170.557.20000109.7R40 I41R40-T49 CarbonylContact C-O 3.4Å; R40-T49 WeakPolarHBondContact CA-O 3.4Å; R40-T49 WeakPolarHBondContact CB-O 3.35Å; I41-T49 PolarHBondContact N-O 3.31Å; I41-T49 PolarHBondContact O-N 3.17Å; I41-T49 PolarHBondContact O-OG1 3.43Å
50V95.5Very high91.8Very high83 Ų8365.6 Ų65.650%0.50336%0.36SS..EExtended strand (participates in β ladder)trans-83132.8175178.70000108.5R40 N52R40-V50 HydrophobicContact CG-CG2 4.34Å; V50-N52 PolarHBondContact O-N 2.94Å
51I95.3Very high91.8Very high5 Ų560 Ų603%0.02634%0.339CS..PPolyproline II helixtrans-75.5122172.9-58.6173.3000108W39 I41 F55 Y58 L61W39-I51 PolarHBondContact O-N 3.32Å; I41-I51 HydrophobicContact CD1-CD1 4.45Å; I41-I51 HydrophobicContact CD1-CG1 4.13Å; I41-I51 HydrophobicContact CG1-CD1 4.03Å; I41-I51 HydrophobicContact CG1-CG1 3.97Å; I51-F55 HydrophobicContact CG1-CE1 4.48Å; I51-F55 HydrophobicContact CG1-CZ 4.34Å; I51-F55 HydrophobicContact CG2-CD1 4.37Å; I51-F55 HydrophobicContact CG2-CD2 4.26Å; I51-F55 HydrophobicContact CG2-CG 4.17Å; I51-Y58 HydrophobicContact CG2-CD2 4.04Å; I51-Y58 HydrophobicContact CG2-CE2 4.22Å; I51-L61 HydrophobicContact CD1-CD1 4.13Å; I51-L61 HydrophobicContact CG2-CD1 3.79Å
52N94.3Very high92Very high61 Ų6164.5 Ų64.533%0.32636%0.36SS..  trans-142.2-170.3-1776613.2000111.2V50 S54 F55 Y58V50-N52 PolarHBondContact O-N 2.94Å; N52-S54 PolarHBondContact O-N 3.1Å; N52-S54 VanDerWaalsContact O-N 3.09Å; N52-S54 VanDerWaalsContact OD1-CB 3.29Å; N52-S54 WeakPolarHBondContact OD1-CB 3.41Å; N52-S54 PolarHBondContact OD1-N 3.37Å; N52-S54 PolarHBondContact OD1-OG 2.97Å; N52-F55 WeakPolarHBondContact O-CB 3.31Å; N52-F55 PolarHBondContact O-N 2.77Å; N52-F55 VanDerWaalsContact O-N 3.1Å; N52-Y58 VanDerWaalsContact C-CD2 3.46Å; N52-Y58 WeakPolarHBondContact O-CD2 3.4Å; N52-Y58 VanDerWaalsContact O-CG 3.28Å
53D93.8Very high92.1Very high135 Ų13565.4 Ų65.472%0.72237%0.369SS*.THydrogen-bonded Turntrans-63.5-9-179.562.8-27.7000115.3F55 Y58D53-F55 VanDerWaalsContact C-N 3.25Å; D53-F55 PolarHBondContact O-N 3.36Å; D53-Y58 HydrophobicContact CB-CD1 4.13Å; D53-Y58 HydrophobicContact CB-CE1 4.37Å
54S92.3Very high92.4Very high74 Ų7465 Ų6552%0.51737%0.367SS..THydrogen-bonded Turntrans-75-13.9171.3730000113.7N52N52-S54 PolarHBondContact O-N 3.1Å; N52-S54 VanDerWaalsContact O-N 3.09Å; N52-S54 VanDerWaalsContact OD1-CB 3.29Å; N52-S54 WeakPolarHBondContact OD1-CB 3.41Å; N52-S54 PolarHBondContact OD1-N 3.37Å; N52-S54 PolarHBondContact OD1-OG 2.97Å
55F93.5Very high93Very high9 Ų961.3 Ų61.34%0.03935%0.346CS..SBendtrans-80137178.1-77.1-113.3000111.1I41 I51 N52 D53 E57 Y58 N127 F130 Y131I41-F55 HydrophobicContact CD1-CE1 3.52Å; I41-F55 HydrophobicContact CD1-CZ 3.66Å; I51-F55 HydrophobicContact CG1-CE1 4.48Å; I51-F55 HydrophobicContact CG1-CZ 4.34Å; I51-F55 HydrophobicContact CG2-CD1 4.37Å; I51-F55 HydrophobicContact CG2-CD2 4.26Å; I51-F55 HydrophobicContact CG2-CG 4.17Å; N52-F55 WeakPolarHBondContact O-CB 3.31Å; N52-F55 PolarHBondContact O-N 2.77Å; N52-F55 VanDerWaalsContact O-N 3.1Å; D53-F55 VanDerWaalsContact C-N 3.25Å; D53-F55 PolarHBondContact O-N 3.36Å; F55-E57 PolarHBondContact O-N 2.82Å; F55-Y58 WeakPolarHBondContact O-CB 3.4Å; F55-Y58 PolarHBondContact O-N 2.81Å; F55-N127 WeakPolarHBondContact CA-OD1 3.25Å; F55-N127 HydrophobicContact CD1-CB 3.89Å; F55-N127 HydrophobicContact CE1-CB 4.26Å; F55-F130 HydrophobicContact CD1-CD2 4.11Å; F55-F130 HydrophobicContact CD2-CE2 4.32Å; F55-F130 HydrophobicContact CE1-CB 3.78Å; F55-F130 AromaticContact CE1-CD2 3.51Å; F55-F130 HydrophobicContact CE1-CD2 3.51Å; F55-F130 HydrophobicContact CE1-CE2 4.21Å; F55-F130 AromaticContact CE1-CG 3.72Å; F55-F130 HydrophobicContact CE1-CG 3.72Å; F55-F130 HydrophobicContact CE2-CD1 4.42Å; F55-F130 HydrophobicContact CE2-CD2 4.01Å; F55-F130 HydrophobicContact CE2-CE1 4.37Å; F55-F130 AromaticContact CE2-CE2 3.94Å; F55-F130 HydrophobicContact CE2-CE2 3.94Å; F55-F130 HydrophobicContact CE2-CG 4.24Å; F55-F130 HydrophobicContact CE2-CZ 4.13Å; F55-F130 HydrophobicContact CZ-CB 3.83Å; F55-F130 AromaticContact CZ-CD1 3.86Å; F55-F130 HydrophobicContact CZ-CD1 3.86Å; F55-F130 AromaticContact CZ-CD2 3.45Å; F55-F130 HydrophobicContact CZ-CD2 3.45Å; F55-F130 VanDerWaalsContact CZ-CD2 3.45Å; F55-F130 HydrophobicContact CZ-CE1 4.25Å; F55-F130 AromaticContact CZ-CE2 3.89Å; F55-F130 HydrophobicContact CZ-CE2 3.89Å; F55-F130 AromaticContact CZ-CG 3.43Å; F55-F130 HydrophobicContact CZ-CG 3.43Å; F55-F130 VanDerWaalsContact CZ-CG 3.43Å; F55-F130 HydrophobicContact CZ-CZ 4.26Å; F55-Y131 HydrophobicContact CD1-CE2 4.14Å; F55-Y131 HydrophobicContact CE1-CD2 4.49Å; F55-Y131 AromaticContact CE1-CE2 3.74Å; F55-Y131 HydrophobicContact CE1-CE2 3.74Å
56Q93.8Very high94.2Very high118 Ų11858.7 Ų58.755%0.55134%0.34SS*.THydrogen-bonded Turntrans-62.5135.2167.9-62.5-165.31.500109.6Y58 K126 N127Q56-Y58 PolarHBondContact O-N 2.92Å; Q56-K126 HydrophobicContact CB-CB 4.1Å; Q56-N127 PolarHBondContact N-OD1 3.37Å; Q56-N127 PolarHBondContact O-ND2 3.16Å
57E91.3Very high95.2Very high63 Ų6354.1 Ų54.129%0.29431%0.312SS..THydrogen-bonded Turntrans60.127.1-175.7-53.4-166.9168.300114.8F55 S59 T60 R119 K126F55-E57 PolarHBondContact O-N 2.82Å; E57-S59 PolarHBondContact O-N 2.85Å; E57-S59 VanDerWaalsContact O-N 3.08Å; E57-T60 WeakPolarHBondContact O-CB 3.31Å; E57-T60 PolarHBondContact O-N 3.03Å; E57-R119 IonicContact OE1-NH2 3.29Å; E57-R119 PolarHBondContact OE1-NH2 3.07Å; E57-R119 IonicContact OE2-CZ 3.12Å; E57-R119 IonicContact OE2-NH2 3.06Å; E57-R119 PolarHBondContact OE2-NH2 2.66Å; E57-K126 VanDerWaalsContact CD-NZ 3.26Å; E57-K126 HydrophobicContact CG-CD 4.15Å; E57-K126 IonicContact OE1-NZ 3.54Å; E57-K126 PolarHBondContact OE1-NZ 3.16Å; E57-K126 IonicContact OE2-NZ 3.77Å; E57-K126 PolarHBondContact OE2-NZ 2.69Å
58Y94.5Very high95.6Very high50 Ų5049.7 Ų49.720%0.19629%0.288CS..Hα-helixtrans-51.7-34175173.4-113.8000113.3I51 N52 D53 F55 Q56 T60 L61 Q62I51-Y58 HydrophobicContact CG2-CD2 4.04Å; I51-Y58 HydrophobicContact CG2-CE2 4.22Å; N52-Y58 VanDerWaalsContact C-CD2 3.46Å; N52-Y58 WeakPolarHBondContact O-CD2 3.4Å; N52-Y58 VanDerWaalsContact O-CG 3.28Å; D53-Y58 HydrophobicContact CB-CD1 4.13Å; D53-Y58 HydrophobicContact CB-CE1 4.37Å; F55-Y58 WeakPolarHBondContact O-CB 3.4Å; F55-Y58 PolarHBondContact O-N 2.81Å; Q56-Y58 PolarHBondContact O-N 2.92Å; Y58-T60 PolarHBondContact O-N 3.44Å; Y58-L61 PolarHBondContact O-N 3.25Å; Y58-L61 VanDerWaalsContact O-N 3.15Å; Y58-Q62 HydrophobicContact CD1-CB 4.49Å; Y58-Q62 HydrophobicContact CE1-CB 4.14Å; Y58-Q62 HydrophobicContact CE1-CG 4.26Å; Y58-Q62 HydrophobicContact CE2-CB 4.48Å; Y58-Q62 VanDerWaalsContact O-CB 3.32Å; Y58-Q62 WeakPolarHBondContact O-CB 3.38Å; Y58-Q62 PolarHBondContact O-N 3.42Å
59S96.1Very high95.9Very high82 Ų8250.5 Ų50.557%0.57329%0.288SS*.Hα-helixtrans-57.3-31.5177.554.40000113.5E57 A63E57-S59 PolarHBondContact O-N 2.85Å; E57-S59 VanDerWaalsContact O-N 3.08Å; S59-A63 PolarHBondContact O-N 3.39Å
60T96Very high96.1Very high33 Ų3352.2 Ų52.220%0.20230%0.295CS..Hα-helixtrans-70.3-47.5176-60.80000111.2E57 Y58 Q62 A63 V64 I115 R119 I123E57-T60 WeakPolarHBondContact O-CB 3.31Å; E57-T60 PolarHBondContact O-N 3.03Å; Y58-T60 PolarHBondContact O-N 3.44Å; T60-Q62 VanDerWaalsContact C-N 3.31Å; T60-Q62 PolarHBondContact O-N 2.99Å; T60-A63 WeakPolarHBondContact O-CB 3.35Å; T60-A63 PolarHBondContact O-N 3.27Å; T60-V64 PolarHBondContact O-N 3.31Å; T60-I115 HydrophobicContact CG2-CG2 3.62Å; T60-R119 HydrophobicContact CG2-CB 3.67Å; T60-R119 HydrophobicContact CG2-CG 3.69Å; T60-I123 HydrophobicContact CG2-CD1 4.03Å
61L96Very high96.2Very high2 Ų248.2 Ų48.21%0.0127%0.271CS..Hα-helixtrans-65.7-36.2174-81.9178.7000111.9I51 Y58 A63 V64 Q65 Y116 I123I51-L61 HydrophobicContact CD1-CD1 4.13Å; I51-L61 HydrophobicContact CG2-CD1 3.79Å; Y58-L61 PolarHBondContact O-N 3.25Å; Y58-L61 VanDerWaalsContact O-N 3.15Å; L61-A63 PolarHBondContact O-N 3.44Å; L61-V64 WeakPolarHBondContact O-CA 3.35Å; L61-V64 WeakPolarHBondContact O-CB 3.45Å; L61-V64 PolarHBondContact O-N 3.05Å; L61-V64 VanDerWaalsContact O-N 3.08Å; L61-Q65 WeakPolarHBondContact O-CG 3.4Å; L61-Q65 PolarHBondContact O-N 3.16Å; L61-Y116 HydrophobicContact CD2-CD2 4.44Å; L61-I123 HydrophobicContact CD1-CG2 3.81Å; L61-I123 HydrophobicContact CD2-CD1 4.12Å; L61-I123 HydrophobicContact CG-CD1 3.82Å; L61-I123 HydrophobicContact CG-CG2 4.31Å
62Q97.8Very high96.4Very high95 Ų9548.6 Ų48.644%0.44427%0.273SS..Hα-helixtrans-61.5-35.7174.7-168-179.422.900111.4Y58 T60 Q65 A66Y58-Q62 HydrophobicContact CD1-CB 4.49Å; Y58-Q62 HydrophobicContact CE1-CB 4.14Å; Y58-Q62 HydrophobicContact CE1-CG 4.26Å; Y58-Q62 HydrophobicContact CE2-CB 4.48Å; Y58-Q62 VanDerWaalsContact O-CB 3.32Å; Y58-Q62 WeakPolarHBondContact O-CB 3.38Å; Y58-Q62 PolarHBondContact O-N 3.42Å; T60-Q62 VanDerWaalsContact C-N 3.31Å; T60-Q62 PolarHBondContact O-N 2.99Å; Q62-Q65 PolarHBondContact O-N 2.94Å; Q62-A66 VanDerWaalsContact O-CB 3.25Å; Q62-A66 WeakPolarHBondContact O-CB 3.18Å; Q62-A66 PolarHBondContact O-N 3.11Å
63A98.1Very high96.6Very high37 Ų3749.9 Ų49.931%0.30628%0.279SS..Hα-helixtrans-63.9-42.7172.300000111.7S59 T60 L61 T67 I115S59-A63 PolarHBondContact O-N 3.39Å; T60-A63 WeakPolarHBondContact O-CB 3.35Å; T60-A63 PolarHBondContact O-N 3.27Å; L61-A63 PolarHBondContact O-N 3.44Å; A63-T67 WeakPolarHBondContact O-CB 3.49Å; A63-T67 VanDerWaalsContact O-CG2 3.29Å; A63-T67 WeakPolarHBondContact O-CG2 3.5Å; A63-T67 PolarHBondContact O-N 3.18Å; A63-T67 PolarHBondContact O-OG1 3.48Å; A63-I115 HydrophobicContact CB-CD1 4.38Å
64V98.3Very high96.8Very high2 Ų244.5 Ų44.51%0.01225%0.25CS..Hα-helixtrans-60.6-49.3174178.90000110.6W28 T60 L61 A66 T67 M68 A112 I115W28-V64 HydrophobicContact CH2-CG1 4.12Å; W28-V64 HydrophobicContact CZ3-CG1 4.04Å; T60-V64 PolarHBondContact O-N 3.31Å; L61-V64 WeakPolarHBondContact O-CA 3.35Å; L61-V64 WeakPolarHBondContact O-CB 3.45Å; L61-V64 PolarHBondContact O-N 3.05Å; L61-V64 VanDerWaalsContact O-N 3.08Å; V64-A66 PolarHBondContact O-N 2.66Å; V64-T67 PolarHBondContact O-N 3.37Å; V64-T67 PolarHBondContact O-OG1 3.41Å; V64-T67 VanDerWaalsContact O-OG1 3.07Å; V64-M68 HydrophobicContact CG1-CG 4.38Å; V64-M68 WeakPolarHBondContact O-CB 3.46Å; V64-M68 VanDerWaalsContact O-CG 3.29Å; V64-M68 WeakPolarHBondContact O-CG 3.37Å; V64-M68 PolarHBondContact O-N 3.26Å; V64-A112 HydrophobicContact CG1-CB 4.23Å; V64-I115 HydrophobicContact CG2-CB 4.06Å; V64-I115 HydrophobicContact CG2-CG2 3.71Å
65Q98.4Very high97.1Very high13 Ų1341 Ų416%0.06123%0.226CC..Hα-helixtrans-56.6-51.4177.4-71.6170.8-13.300112V38 W39 L61 Q62 T67 M68 I69V38-Q65 HydrophobicContact CG1-CG 4.29Å; V38-Q65 WeakPolarHBondContact O-CG 3.41Å; V38-Q65 PolarHBondContact O-NE2 3.14Å; W39-Q65 HydrophobicContact CE3-CG 3.99Å; W39-Q65 HydrophobicContact CH2-CB 3.7Å; W39-Q65 HydrophobicContact CH2-CG 3.89Å; W39-Q65 HydrophobicContact CZ3-CB 3.76Å; W39-Q65 HydrophobicContact CZ3-CG 3.59Å; L61-Q65 WeakPolarHBondContact O-CG 3.4Å; L61-Q65 PolarHBondContact O-N 3.16Å; Q62-Q65 PolarHBondContact O-N 2.94Å; Q65-T67 PolarHBondContact O-N 3.38Å; Q65-M68 PolarHBondContact O-N 2.97Å; Q65-I69 WeakPolarHBondContact O-CG1 3.43Å; Q65-I69 PolarHBondContact O-N 3.3Å
66A98.4Very high97.4Very high54 Ų5443.2 Ų43.245%0.44624%0.241SC..Hα-helixtrans-64.3-41.4-177.700000111.8Q62 V64 L70Q62-A66 VanDerWaalsContact O-CB 3.25Å; Q62-A66 WeakPolarHBondContact O-CB 3.18Å; Q62-A66 PolarHBondContact O-N 3.11Å; V64-A66 PolarHBondContact O-N 2.66Å; A66-L70 VanDerWaalsContact O-CB 3.22Å; A66-L70 WeakPolarHBondContact O-CB 3.18Å; A66-L70 PolarHBondContact O-N 2.82Å
67T98.4Very high97.6Very high25 Ų2541 Ų4115%0.15323%0.233CC..Hα-helixtrans-71.8-36.1179.950.50000112.4A63 V64 Q65 L70 S71 I111 A112A63-T67 WeakPolarHBondContact O-CB 3.49Å; A63-T67 VanDerWaalsContact O-CG2 3.29Å; A63-T67 WeakPolarHBondContact O-CG2 3.5Å; A63-T67 PolarHBondContact O-N 3.18Å; A63-T67 PolarHBondContact O-OG1 3.48Å; V64-T67 PolarHBondContact O-N 3.37Å; V64-T67 PolarHBondContact O-OG1 3.41Å; V64-T67 VanDerWaalsContact O-OG1 3.07Å; Q65-T67 PolarHBondContact O-N 3.38Å; T67-L70 PolarHBondContact O-N 3.37Å; T67-S71 WeakPolarHBondContact O-CB 3.49Å; T67-S71 PolarHBondContact O-N 3.25Å; T67-I111 HydrophobicContact CG2-CG2 4.29Å; T67-A112 VanDerWaalsContact OG1-CB 3.23Å; T67-A112 WeakPolarHBondContact OG1-CB 3.43Å
68M98.6Very high98Very high0 Ų038 Ų380%022%0.219CC..Hα-helixtrans-64.3-46.1171.6-71.3-57.4-61.200112A22 T23 W28 V64 Q65 L70 S71 T72 A112 A146A22-M68 HydrophobicContact CB-CE 3.94Å; T23-M68 HydrophobicContact CG2-CB 3.98Å; T23-M68 WeakPolarHBondContact OG1-CE 3.47Å; W28-M68 HydrophobicContact CH2-CE 4.49Å; W28-M68 HydrophobicContact CH2-CG 4.13Å; W28-M68 HydrophobicContact CH2-SD 3.88Å; W28-M68 HydrophobicContact CZ2-CE 3.89Å; W28-M68 HydrophobicContact CZ2-CG 4.07Å; W28-M68 HydrophobicContact CZ2-SD 3.87Å; V64-M68 HydrophobicContact CG1-CG 4.38Å; V64-M68 WeakPolarHBondContact O-CB 3.46Å; V64-M68 VanDerWaalsContact O-CG 3.29Å; V64-M68 WeakPolarHBondContact O-CG 3.37Å; V64-M68 PolarHBondContact O-N 3.26Å; Q65-M68 PolarHBondContact O-N 2.97Å; M68-L70 PolarHBondContact O-N 2.94Å; M68-S71 PolarHBondContact O-N 2.96Å; M68-S71 PolarHBondContact O-OG 3.47Å; M68-T72 PolarHBondContact O-N 3.47Å; M68-T72 VanDerWaalsContact O-N 3.11Å; M68-T72 PolarHBondContact O-OG1 2.82Å; M68-T72 VanDerWaalsContact O-OG1 3.11Å; M68-A112 HydrophobicContact CG-CB 3.73Å; M68-A112 HydrophobicContact SD-CB 3.53Å; M68-A112 VanDerWaalsContact SD-CB 3.53Å; M68-A146 HydrophobicContact CE-CB 4.39Å
69I98.7Very high98.1Very high73 Ų7338.6 Ų38.637%0.37422%0.222SC..Hα-helixtrans-57.8-51.1173.7-70.5167.8000110.4T23 W39 Q65 S71 T72 I73T23-I69 HydrophobicContact CG2-CG1 4.46Å; W39-I69 HydrophobicContact CH2-CD1 3.5Å; W39-I69 VanDerWaalsContact CH2-CD1 3.5Å; W39-I69 HydrophobicContact CH2-CG1 3.92Å; W39-I69 HydrophobicContact CZ2-CD1 4.23Å; W39-I69 HydrophobicContact CZ2-CG1 4.19Å; W39-I69 HydrophobicContact CZ3-CD1 4.4Å; Q65-I69 WeakPolarHBondContact O-CG1 3.43Å; Q65-I69 PolarHBondContact O-N 3.3Å; I69-S71 VanDerWaalsContact C-N 3.29Å; I69-S71 PolarHBondContact O-N 3.15Å; I69-T72 PolarHBondContact O-N 3.12Å; I69-T72 VanDerWaalsContact O-N 3.16Å; I69-I73 HydrophobicContact CG2-CD1 3.64Å; I69-I73 HydrophobicContact CG2-CG1 4.3Å; I69-I73 WeakPolarHBondContact O-CG1 3.34Å; I69-I73 PolarHBondContact O-N 3.21Å
70L98.7Very high98.2Very high82 Ų8240.8 Ų40.843%0.42922%0.222SC..Hα-helixtrans-60.5-41.4-177.3-177.260.3000111.2A66 T67 M68 T72 I73 L74A66-L70 VanDerWaalsContact O-CB 3.22Å; A66-L70 WeakPolarHBondContact O-CB 3.18Å; A66-L70 PolarHBondContact O-N 2.82Å; T67-L70 PolarHBondContact O-N 3.37Å; M68-L70 PolarHBondContact O-N 2.94Å; L70-T72 VanDerWaalsContact C-N 3.34Å; L70-T72 PolarHBondContact O-N 2.85Å; L70-I73 PolarHBondContact O-N 3.02Å; L70-L74 HydrophobicContact CD1-CD1 4.07Å; L70-L74 HydrophobicContact CD1-CG 4.05Å; L70-L74 HydrophobicContact CG-CD1 3.86Å; L70-L74 HydrophobicContact CG-CG 4.29Å; L70-L74 WeakPolarHBondContact O-CB 3.22Å; L70-L74 VanDerWaalsContact O-CG 3.25Å; L70-L74 WeakPolarHBondContact O-CG 3.33Å; L70-L74 PolarHBondContact O-N 2.94Å
71S98.7Very high98.3Very high0 Ų040.7 Ų40.70%022%0.22CC..Hα-helixtrans-59.8-43.3176.276.50000112.5T67 M68 I69 L74 C75 A105 V109T67-S71 WeakPolarHBondContact O-CB 3.49Å; T67-S71 PolarHBondContact O-N 3.25Å; M68-S71 PolarHBondContact O-N 2.96Å; M68-S71 PolarHBondContact O-OG 3.47Å; I69-S71 VanDerWaalsContact C-N 3.29Å; I69-S71 PolarHBondContact O-N 3.15Å; S71-L74 PolarHBondContact O-N 3.5Å; S71-C75 WeakPolarHBondContact O-CB 3.34Å; S71-C75 PolarHBondContact O-N 2.91Å; S71-A105 WeakPolarHBondContact CB-O 3.48Å; S71-A105 WeakPolarHBondContact O-CB 3.4Å; S71-V109 VanDerWaalsContact CB-CG2 3.49Å
72T98.6Very high98.3Very high12 Ų1240.7 Ų40.77%0.07422%0.22CC..Hα-helixtrans-65.2-45.8179.2-59.30000110.7F20 T23 M68 I69 L70 C75 C76F20-T72 HydrophobicContact CD1-CG2 3.83Å; F20-T72 HydrophobicContact CD2-CG2 4.06Å; F20-T72 HydrophobicContact CE1-CG2 3.58Å; F20-T72 HydrophobicContact CE2-CG2 3.81Å; F20-T72 HydrophobicContact CG-CG2 4.07Å; F20-T72 HydrophobicContact CZ-CG2 3.56Å; T23-T72 PolarHBondContact OG1-OG1 3.46Å; M68-T72 PolarHBondContact O-N 3.47Å; M68-T72 VanDerWaalsContact O-N 3.11Å; M68-T72 PolarHBondContact O-OG1 2.82Å; M68-T72 VanDerWaalsContact O-OG1 3.11Å; I69-T72 PolarHBondContact O-N 3.12Å; I69-T72 VanDerWaalsContact O-N 3.16Å; L70-T72 VanDerWaalsContact C-N 3.34Å; L70-T72 PolarHBondContact O-N 2.85Å; T72-C75 PolarHBondContact O-N 3.43Å; T72-C76 PolarHBondContact O-N 3.22Å; T72-C76 VanDerWaalsContact O-N 3.07Å; T72-C76 PolarHBondContact O-SG 3.45Å; T72-C76 VanDerWaalsContact O-SG 3.38Å
73I98.8Very high98.1Very high88 Ų8838.5 Ų38.545%0.45121%0.213SC..Hα-helixtrans-61-49.1176.9-68.2172.9000110.8I69 L70 C75 C76 I77I69-I73 HydrophobicContact CG2-CD1 3.64Å; I69-I73 HydrophobicContact CG2-CG1 4.3Å; I69-I73 WeakPolarHBondContact O-CG1 3.34Å; I69-I73 PolarHBondContact O-N 3.21Å; L70-I73 PolarHBondContact O-N 3.02Å; I73-C75 VanDerWaalsContact C-N 3.32Å; I73-C75 PolarHBondContact O-N 3.34Å; I73-C76 WeakPolarHBondContact O-CB 3.47Å; I73-C76 PolarHBondContact O-N 3.27Å; I73-I77 HydrophobicContact CG2-CD1 3.7Å; I73-I77 HydrophobicContact CG2-CG1 4.34Å; I73-I77 WeakPolarHBondContact O-CG1 3.43Å; I73-I77 PolarHBondContact O-N 3.37Å
74L98.8Very high98Very high23 Ų2340.5 Ų40.512%0.1222%0.218CC..Hα-helixtrans-62.9-38.9180-70.3173.7000111.6L70 S71 C76 I77 A78 I101 M104 A105L70-L74 HydrophobicContact CD1-CD1 4.07Å; L70-L74 HydrophobicContact CD1-CG 4.05Å; L70-L74 HydrophobicContact CG-CD1 3.86Å; L70-L74 HydrophobicContact CG-CG 4.29Å; L70-L74 WeakPolarHBondContact O-CB 3.22Å; L70-L74 VanDerWaalsContact O-CG 3.25Å; L70-L74 WeakPolarHBondContact O-CG 3.33Å; L70-L74 PolarHBondContact O-N 2.94Å; S71-L74 PolarHBondContact O-N 3.5Å; L74-C76 VanDerWaalsContact C-N 3.34Å; L74-C76 PolarHBondContact O-N 3.14Å; L74-I77 PolarHBondContact O-N 3.16Å; L74-A78 WeakPolarHBondContact O-CB 3.34Å; L74-A78 PolarHBondContact O-N 3.44Å; L74-I101 HydrophobicContact CB-CG2 4.15Å; L74-I101 HydrophobicContact CD2-CG2 4.03Å; L74-I101 VanDerWaalsContact O-CG2 3.32Å; L74-I101 WeakPolarHBondContact O-CG2 3.34Å; L74-M104 HydrophobicContact CD1-CB 3.97Å; L74-A105 HydrophobicContact CB-CB 3.75Å
75C98.7Very high97.8Very high0 Ų041.6 Ų41.60%022%0.223CC..Hα-helixtrans-62.2-40.4175-173.60000112.1H12 L19 S71 T72 I73 F79 A105H12-C75 PolarHBondContact NE2-O 2.87Å; L19-C75 HydrophobicContact CD1-CB 3.54Å; S71-C75 WeakPolarHBondContact O-CB 3.34Å; S71-C75 PolarHBondContact O-N 2.91Å; T72-C75 PolarHBondContact O-N 3.43Å; I73-C75 VanDerWaalsContact C-N 3.32Å; I73-C75 PolarHBondContact O-N 3.34Å; C75-F79 PolarHBondContact O-N 3.31Å; C75-F79 VanDerWaalsContact O-N 3.09Å; C75-A105 HydrophobicContact CB-CB 4.25Å
76C98.6Very high97.4Very high55 Ų5542.9 Ų42.937%0.37223%0.23SC..Hα-helixtrans-66.8-42.8174.3-70.50000112.3T72 I73 L74 F79 F80T72-C76 PolarHBondContact O-N 3.22Å; T72-C76 VanDerWaalsContact O-N 3.07Å; T72-C76 PolarHBondContact O-SG 3.45Å; T72-C76 VanDerWaalsContact O-SG 3.38Å; I73-C76 WeakPolarHBondContact O-CB 3.47Å; I73-C76 PolarHBondContact O-N 3.27Å; L74-C76 VanDerWaalsContact C-N 3.34Å; L74-C76 PolarHBondContact O-N 3.14Å; C76-F79 WeakPolarHBondContact O-CB 3.47Å; C76-F79 PolarHBondContact O-N 3.02Å; C76-F80 PolarHBondContact O-N 3.49Å
77I98.6Very high97Very high73 Ų7348 Ų4837%0.37424%0.243SC..Hα-helixtrans-62.5-44.6175.7-68.6171.1000110.3I73 L74 F79 F80 I81 I101I73-I77 HydrophobicContact CG2-CD1 3.7Å; I73-I77 HydrophobicContact CG2-CG1 4.34Å; I73-I77 WeakPolarHBondContact O-CG1 3.43Å; I73-I77 PolarHBondContact O-N 3.37Å; L74-I77 PolarHBondContact O-N 3.16Å; I77-F79 VanDerWaalsContact C-N 3.28Å; I77-F79 PolarHBondContact O-N 3.41Å; I77-F80 PolarHBondContact O-N 3.21Å; I77-I81 HydrophobicContact CG2-CD1 4.06Å; I77-I81 HydrophobicContact CG2-CG1 4.31Å; I77-I81 WeakPolarHBondContact O-CG1 3.28Å; I77-I81 PolarHBondContact O-N 3.07Å; I77-I101 HydrophobicContact CB-CG2 4.44Å; I77-I101 HydrophobicContact CG2-CD1 4.02Å; I77-I101 HydrophobicContact CG2-CG2 4.25Å
78A98.4Very high96.7Very high0 Ų057.3 Ų57.30%028%0.275CS..Hα-helixtrans-58-42.1176.600000111.4L74 I81 F82 I101 Q102L74-A78 WeakPolarHBondContact O-CB 3.34Å; L74-A78 PolarHBondContact O-N 3.44Å; A78-I81 PolarHBondContact O-N 3.24Å; A78-F82 WeakPolarHBondContact O-CB 3.48Å; A78-F82 PolarHBondContact O-N 2.89Å; A78-I101 HydrophobicContact CB-CB 4.12Å; A78-I101 HydrophobicContact CB-CG2 3.9Å; A78-Q102 HydrophobicContact CB-CB 4.11Å; A78-Q102 VanDerWaalsContact CB-OE1 3.27Å
79F97.9Very high96.3Very high61 Ų6158.6 Ų58.627%0.26828%0.282SS..Hα-helixtrans-62-46.9175.2-172.9-115.7000112.2I9 H12 I13 C75 C76 I77 I81 F82 V83I9-F79 HydrophobicContact CG2-CE2 4.05Å; I9-F79 HydrophobicContact CG2-CZ 4.08Å; H12-F79 HydrophobicContact CB-CD2 4.08Å; H12-F79 HydrophobicContact CB-CE2 4.47Å; H12-F79 AromaticContact CD2-CD2 3.7Å; H12-F79 AromaticContact CG-CD2 3.8Å; I13-F79 HydrophobicContact CD1-CZ 4.26Å; I13-F79 HydrophobicContact CG1-CE2 4.29Å; I13-F79 HydrophobicContact CG1-CZ 4.17Å; C75-F79 PolarHBondContact O-N 3.31Å; C75-F79 VanDerWaalsContact O-N 3.09Å; C76-F79 WeakPolarHBondContact O-CB 3.47Å; C76-F79 PolarHBondContact O-N 3.02Å; I77-F79 VanDerWaalsContact C-N 3.28Å; I77-F79 PolarHBondContact O-N 3.41Å; F79-I81 PolarHBondContact O-N 2.79Å; F79-F82 WeakPolarHBondContact O-CB 3.34Å; F79-F82 PolarHBondContact O-N 3.38Å; F79-V83 HydrophobicContact CE1-CG2 4.37Å; F79-V83 HydrophobicContact CZ-CG2 4.29Å; F79-V83 WeakPolarHBondContact O-CG2 3.47Å; F79-V83 PolarHBondContact O-N 3.19Å
80F97.9Very high95.9Very high129 Ų12962.5 Ų62.557%0.56630%0.296SS*.Hα-helixtrans-61.3-45.5177.9-179.9-105.8000111.9C76 I77 F82 V83 L84C76-F80 PolarHBondContact O-N 3.49Å; I77-F80 PolarHBondContact O-N 3.21Å; F80-F82 VanDerWaalsContact C-N 3.31Å; F80-F82 PolarHBondContact O-N 3.38Å; F80-V83 PolarHBondContact O-N 2.86Å; F80-L84 HydrophobicContact CD1-CD1 3.93Å; F80-L84 HydrophobicContact CD1-CG 4.41Å; F80-L84 HydrophobicContact CE1-CD1 3.42Å; F80-L84 VanDerWaalsContact CE1-CD1 3.42Å; F80-L84 HydrophobicContact CE1-CG 4.06Å; F80-L84 HydrophobicContact CZ-CD1 3.9Å; F80-L84 HydrophobicContact CZ-CD2 4.24Å; F80-L84 HydrophobicContact CZ-CG 4.16Å; F80-L84 WeakPolarHBondContact O-CG 3.36Å; F80-L84 PolarHBondContact O-N 2.67Å
81I97.4Very high95.4Very high30 Ų3063.8 Ų63.815%0.15430%0.3CS..Hα-helixtrans-63.3-38.7176.2-67-170.3000111.1I77 A78 F79 V83 L84 Q85 L97 I101I77-I81 HydrophobicContact CG2-CD1 4.06Å; I77-I81 HydrophobicContact CG2-CG1 4.31Å; I77-I81 WeakPolarHBondContact O-CG1 3.28Å; I77-I81 PolarHBondContact O-N 3.07Å; A78-I81 PolarHBondContact O-N 3.24Å; F79-I81 PolarHBondContact O-N 2.79Å; I81-V83 VanDerWaalsContact C-N 3.33Å; I81-V83 PolarHBondContact O-N 2.91Å; I81-L84 PolarHBondContact O-N 2.96Å; I81-Q85 HydrophobicContact CG2-CG 4.09Å; I81-Q85 WeakPolarHBondContact O-CB 3.32Å; I81-Q85 WeakPolarHBondContact O-CG 3.26Å; I81-Q85 PolarHBondContact O-N 2.62Å; I81-L97 HydrophobicContact CD1-CD2 3.99Å; I81-L97 HydrophobicContact CD1-CG 4.21Å; I81-L97 HydrophobicContact CG2-CB 4.39Å; I81-L97 HydrophobicContact CG2-CD2 3.85Å; I81-L97 HydrophobicContact CG2-CG 4.02Å; I81-I101 HydrophobicContact CD1-CD1 3.39Å
82F96.2Very high94.8Very high2 Ų265.8 Ų65.81%0.00932%0.32CS..Hα-helixtrans-56.7-49175.2173.5-116.5000111L5 I8 I9 A78 F79 F80 L84 Q85 L86 F95 T98 Y160L5-F82 HydrophobicContact CD1-CE1 4.02Å; L5-F82 HydrophobicContact CD1-CZ 3.61Å; I8-F82 HydrophobicContact CG2-CE1 3.98Å; I8-F82 HydrophobicContact CG2-CE2 4.36Å; I8-F82 HydrophobicContact CG2-CZ 3.69Å; I9-F82 HydrophobicContact CG1-CE1 3.83Å; A78-F82 WeakPolarHBondContact O-CB 3.48Å; A78-F82 PolarHBondContact O-N 2.89Å; F79-F82 WeakPolarHBondContact O-CB 3.34Å; F79-F82 PolarHBondContact O-N 3.38Å; F80-F82 VanDerWaalsContact C-N 3.31Å; F80-F82 PolarHBondContact O-N 3.38Å; F82-L84 VanDerWaalsContact C-N 3.34Å; F82-L84 PolarHBondContact O-N 3.45Å; F82-Q85 WeakPolarHBondContact O-CB 3.49Å; F82-Q85 PolarHBondContact O-N 3.44Å; F82-Q85 VanDerWaalsContact O-N 3.16Å; F82-L86 HydrophobicContact CD1-CD1 4.44Å; F82-L86 HydrophobicContact CE1-CD1 3.95Å; F82-L86 HydrophobicContact CE1-CG 4.41Å; F82-L86 HydrophobicContact CE2-CD2 4Å; F82-L86 HydrophobicContact CE2-CG 4.28Å; F82-L86 HydrophobicContact CZ-CD1 4.08Å; F82-L86 HydrophobicContact CZ-CD2 3.89Å; F82-L86 HydrophobicContact CZ-CG 4.15Å; F82-L86 WeakPolarHBondContact O-CG 3.42Å; F82-L86 PolarHBondContact O-N 2.95Å; F82-F95 AromaticContact CD2-CD1 3.67Å; F82-F95 HydrophobicContact CD2-CD1 3.67Å; F82-F95 AromaticContact CD2-CE1 3.96Å; F82-F95 HydrophobicContact CD2-CE1 3.96Å; F82-F95 HydrophobicContact CD2-CG 4.25Å; F82-F95 AromaticContact CE2-CD1 3.82Å; F82-F95 HydrophobicContact CE2-CD1 3.82Å; F82-F95 AromaticContact CE2-CE1 3.75Å; F82-F95 HydrophobicContact CE2-CE1 3.75Å; F82-F95 HydrophobicContact CE2-CG 4.27Å; F82-F95 HydrophobicContact CE2-CZ 4.13Å; F82-T98 VanDerWaalsContact CA-OG1 3.22Å; F82-T98 WeakPolarHBondContact CA-OG1 3.45Å; F82-T98 HydrophobicContact CB-CG2 3.72Å; F82-T98 HydrophobicContact CD2-CG2 4.41Å; F82-T98 HydrophobicContact CG-CG2 4.41Å; F82-T98 PolarHBondContact N-OG1 2.92Å; F82-T98 VanDerWaalsContact N-OG1 3.12Å; F82-Y160 HydrophobicContact CD1-CE1 4.32Å; F82-Y160 AromaticContact CD2-CD1 3.91Å; F82-Y160 HydrophobicContact CD2-CD1 3.91Å; F82-Y160 AromaticContact CD2-CE1 3.37Å; F82-Y160 HydrophobicContact CD2-CE1 3.37Å; F82-Y160 HydrophobicContact CE1-CE1 4.39Å; F82-Y160 HydrophobicContact CE2-CD1 4.04Å; F82-Y160 AromaticContact CE2-CE1 3.47Å; F82-Y160 HydrophobicContact CE2-CE1 3.47Å; F82-Y160 VanDerWaalsContact CE2-CE1 3.47Å; F82-Y160 AromaticContact CG-CE1 3.83Å; F82-Y160 HydrophobicContact CG-CE1 3.83Å; F82-Y160 AromaticContact CZ-CE1 3.99Å; F82-Y160 HydrophobicContact CZ-CE1 3.99Å
83V94.8Very high94.5Very high49 Ų4969.1 Ų69.130%0.29734%0.335SS..Hα-helixtrans-59.6-44.5177.1175.50000111.2F79 F80 I81 Q85 L86 F87F79-V83 HydrophobicContact CE1-CG2 4.37Å; F79-V83 HydrophobicContact CZ-CG2 4.29Å; F79-V83 WeakPolarHBondContact O-CG2 3.47Å; F79-V83 PolarHBondContact O-N 3.19Å; F80-V83 PolarHBondContact O-N 2.86Å; I81-V83 VanDerWaalsContact C-N 3.33Å; I81-V83 PolarHBondContact O-N 2.91Å; V83-Q85 VanDerWaalsContact C-N 3.34Å; V83-Q85 PolarHBondContact O-N 3.35Å; V83-L86 WeakPolarHBondContact O-CB 3.23Å; V83-L86 PolarHBondContact O-N 3.24Å; V83-F87 HydrophobicContact CG1-CE2 4.01Å; V83-F87 WeakPolarHBondContact O-CD2 3.18Å
84L94.6Very high94.2Very high80 Ų8070.4 Ų70.442%0.41933%0.334SS..Hα-helixtrans-61.7-41.5175.7-68.4-178.7000112.5F80 I81 F82 L86 F87 R88F80-L84 HydrophobicContact CD1-CD1 3.93Å; F80-L84 HydrophobicContact CD1-CG 4.41Å; F80-L84 HydrophobicContact CE1-CD1 3.42Å; F80-L84 VanDerWaalsContact CE1-CD1 3.42Å; F80-L84 HydrophobicContact CE1-CG 4.06Å; F80-L84 HydrophobicContact CZ-CD1 3.9Å; F80-L84 HydrophobicContact CZ-CD2 4.24Å; F80-L84 HydrophobicContact CZ-CG 4.16Å; F80-L84 WeakPolarHBondContact O-CG 3.36Å; F80-L84 PolarHBondContact O-N 2.67Å; I81-L84 PolarHBondContact O-N 2.96Å; F82-L84 VanDerWaalsContact C-N 3.34Å; F82-L84 PolarHBondContact O-N 3.45Å; L84-L86 VanDerWaalsContact C-N 3.29Å; L84-L86 PolarHBondContact O-N 3.19Å; L84-F87 PolarHBondContact O-N 3.07Å; L84-R88 WeakPolarHBondContact O-CB 3.37Å; L84-R88 WeakPolarHBondContact O-CG 3.44Å; L84-R88 PolarHBondContact O-N 3.19Å
85Q93.7Very high94.1Very high24 Ų2469.8 Ų69.811%0.11233%0.33CS..Hα-helixtrans-65-31.3178.8-80.2-165.2-33.100112.2I81 F82 V83 F87 R88 L89 F95 T98I81-Q85 HydrophobicContact CG2-CG 4.09Å; I81-Q85 WeakPolarHBondContact O-CB 3.32Å; I81-Q85 WeakPolarHBondContact O-CG 3.26Å; I81-Q85 PolarHBondContact O-N 2.62Å; F82-Q85 WeakPolarHBondContact O-CB 3.49Å; F82-Q85 PolarHBondContact O-N 3.44Å; F82-Q85 VanDerWaalsContact O-N 3.16Å; V83-Q85 VanDerWaalsContact C-N 3.34Å; V83-Q85 PolarHBondContact O-N 3.35Å; Q85-F87 PolarHBondContact O-N 3Å; Q85-R88 PolarHBondContact O-N 3.09Å; Q85-L89 HydrophobicContact CB-CD1 3.62Å; Q85-L89 HydrophobicContact CB-CG 3.86Å; Q85-L89 HydrophobicContact CG-CD1 4.02Å; Q85-L89 HydrophobicContact CG-CG 4.05Å; Q85-L89 WeakPolarHBondContact O-CB 3.16Å; Q85-L89 WeakPolarHBondContact O-CG 3.33Å; Q85-L89 PolarHBondContact O-N 3.36Å; Q85-F95 HydrophobicContact CB-CD1 3.68Å; Q85-F95 HydrophobicContact CB-CE1 3.94Å; Q85-F95 VanDerWaalsContact OE1-CA 3.3Å; Q85-T98 PolarHBondContact OE1-OG1 3.28Å; Q85-T98 VanDerWaalsContact OE1-OG1 3.05Å
86L91.6Very high93.9Very high41 Ų4173 Ų7322%0.21535%0.349CS..Hα-helixtrans-57.3-39173.1-68.6172.2000111.9L5 F82 V83 L84 F95 K165L5-L86 HydrophobicContact CD1-CD1 3.9Å; L5-L86 HydrophobicContact CD1-CD2 3.78Å; L5-L86 HydrophobicContact CD2-CD1 4.38Å; F82-L86 HydrophobicContact CD1-CD1 4.44Å; F82-L86 HydrophobicContact CE1-CD1 3.95Å; F82-L86 HydrophobicContact CE1-CG 4.41Å; F82-L86 HydrophobicContact CE2-CD2 4Å; F82-L86 HydrophobicContact CE2-CG 4.28Å; F82-L86 HydrophobicContact CZ-CD1 4.08Å; F82-L86 HydrophobicContact CZ-CD2 3.89Å; F82-L86 HydrophobicContact CZ-CG 4.15Å; F82-L86 WeakPolarHBondContact O-CG 3.42Å; F82-L86 PolarHBondContact O-N 2.95Å; V83-L86 WeakPolarHBondContact O-CB 3.23Å; V83-L86 PolarHBondContact O-N 3.24Å; L84-L86 VanDerWaalsContact C-N 3.29Å; L84-L86 PolarHBondContact O-N 3.19Å; L86-F95 HydrophobicContact CD2-CE1 3.9Å; L86-F95 HydrophobicContact CD2-CZ 3.88Å; L86-F95 HydrophobicContact CG-CE1 4.39Å; L86-K165 WeakPolarHBondContact O-CE 3.49Å; L86-K165 PolarHBondContact O-NZ 3.46Å
87F90.4Very high93.8Very high162 Ų16274.5 Ų74.571%0.71135%0.353SS*.Hα-helixtrans-86.8-39179.7-59.5-71.5000113V83 L84 Q85V83-F87 HydrophobicContact CG1-CE2 4.01Å; V83-F87 WeakPolarHBondContact O-CD2 3.18Å; L84-F87 PolarHBondContact O-N 3.07Å; Q85-F87 PolarHBondContact O-N 3Å
88R91.1Very high93.8Very high220 Ų22071 Ų7183%0.8334%0.336SS*.Hα-helixtrans-90.4-30.1-169.7-66.6-70.5-171.5167.91.3115.2L84 Q85L84-R88 WeakPolarHBondContact O-CB 3.37Å; L84-R88 WeakPolarHBondContact O-CG 3.44Å; L84-R88 PolarHBondContact O-N 3.19Å; Q85-R88 PolarHBondContact O-N 3.09Å
89L89.9Confident93.7Very high27 Ų2771 Ų7114%0.14134%0.336CS..SBendtrans-65.5146.9-176.7-76.7174.7000111.5Q85 E93 F95 K165Q85-L89 HydrophobicContact CB-CD1 3.62Å; Q85-L89 HydrophobicContact CB-CG 3.86Å; Q85-L89 HydrophobicContact CG-CD1 4.02Å; Q85-L89 HydrophobicContact CG-CG 4.05Å; Q85-L89 WeakPolarHBondContact O-CB 3.16Å; Q85-L89 WeakPolarHBondContact O-CG 3.33Å; Q85-L89 PolarHBondContact O-N 3.36Å; L89-E93 HydrophobicContact CB-CB 4.41Å; L89-E93 HydrophobicContact CD2-CB 4.01Å; L89-E93 VanDerWaalsContact CD2-OE2 3.28Å; L89-E93 WeakPolarHBondContact CD2-OE2 3.36Å; L89-F95 HydrophobicContact CD1-CD1 3.65Å; L89-F95 HydrophobicContact CD1-CE1 3.76Å; L89-F95 HydrophobicContact CD1-CG 4.16Å; L89-F95 HydrophobicContact CD1-CZ 4.33Å; L89-K165 HydrophobicContact CB-CD 3.88Å; L89-K165 VanDerWaalsContact O-CD 3.26Å; L89-K165 WeakPolarHBondContact O-CD 3.31Å; L89-K165 WeakPolarHBondContact O-CE 3.29Å; L89-K165 PolarHBondContact O-NZ 3.01Å
90K90.1Very high93.8Very high154 Ų15472.3 Ų72.367%0.6734%0.344SS*.PPolyproline II helixtrans-74.9156.5170.2-63.4177.8-178.61740109.9G92 E93K90-G92 PolarHBondContact O-N 3.22Å; K90-E93 HydrophobicContact CB-CG 4.11Å; K90-E93 PolarHBondContact N-OE2 3Å; K90-E93 WeakPolarHBondContact O-CB 3.45Å; K90-E93 PolarHBondContact O-N 3.47Å
91Q87.9Confident93.8Very high110 Ų11067.2 Ų67.251%0.51432%0.323SS..THydrogen-bonded Turntrans-60.7135.4175.1-166.8-171.9-9.600110.3E93 K167Q91-E93 VanDerWaalsContact C-N 3.34Å; Q91-K167 VanDerWaalsContact CD-CG 3.5Å; Q91-K167 VanDerWaalsContact NE2-CG 3.29Å; Q91-K167 VanDerWaalsContact OE1-CE 3.25Å; Q91-K167 VanDerWaalsContact OE1-CG 3.31Å
92G86.6Confident93.8Very high41 Ų4165.8 Ų65.842%0.42332%0.315SS..THydrogen-bonded Turntrans91.1-15.4-177.900000114.7K90 K165K90-G92 PolarHBondContact O-N 3.22Å; G92-K165 PolarHBondContact N-O 2.58Å
93E92.3Very high93.9Very high82 Ų8268 Ų6838%0.38333%0.327SS..  trans-74.7157176.8-65.9-177159.100112.2L89 K90 Q91 R164 K165L89-E93 HydrophobicContact CB-CB 4.41Å; L89-E93 HydrophobicContact CD2-CB 4.01Å; L89-E93 VanDerWaalsContact CD2-OE2 3.28Å; L89-E93 WeakPolarHBondContact CD2-OE2 3.36Å; K90-E93 HydrophobicContact CB-CG 4.11Å; K90-E93 PolarHBondContact N-OE2 3Å; K90-E93 WeakPolarHBondContact O-CB 3.45Å; K90-E93 PolarHBondContact O-N 3.47Å; Q91-E93 VanDerWaalsContact C-N 3.34Å; E93-R164 CarbonylContact O-C 3.57Å; E93-R164 WeakPolarHBondContact O-CA 3.38Å; E93-K165 PolarHBondContact O-N 3.1Å
94R92.9Very high94.1Very high116 Ų11670.2 Ų70.244%0.43834%0.336SS..BIsolated β-bridgetrans-102.4156.3-177.9-70.1172.9164.6170.83111.3V96 L161 L163 R164R94-V96 HydrophobicContact CB-CG2 3.77Å; R94-V96 PolarHBondContact O-N 3.25Å; R94-L161 VanDerWaalsContact CD-O 3.23Å; R94-L161 WeakPolarHBondContact CD-O 3.36Å; R94-L161 PolarHBondContact NE-O 2.86Å; R94-L163 WeakPolarHBondContact CA-O 3.34Å; R94-R164 HydrophobicContact CG-CG 3.76Å
95F95.6Very high94.3Very high10 Ų1066.4 Ų66.44%0.04432%0.316CS..  trans-83.950.4178.5-58.6-91.4000112F82 Q85 L86 L89 L97 T98 S99 Y160 L163 K165F82-F95 AromaticContact CD2-CD1 3.67Å; F82-F95 HydrophobicContact CD2-CD1 3.67Å; F82-F95 AromaticContact CD2-CE1 3.96Å; F82-F95 HydrophobicContact CD2-CE1 3.96Å; F82-F95 HydrophobicContact CD2-CG 4.25Å; F82-F95 AromaticContact CE2-CD1 3.82Å; F82-F95 HydrophobicContact CE2-CD1 3.82Å; F82-F95 AromaticContact CE2-CE1 3.75Å; F82-F95 HydrophobicContact CE2-CE1 3.75Å; F82-F95 HydrophobicContact CE2-CG 4.27Å; F82-F95 HydrophobicContact CE2-CZ 4.13Å; Q85-F95 HydrophobicContact CB-CD1 3.68Å; Q85-F95 HydrophobicContact CB-CE1 3.94Å; Q85-F95 VanDerWaalsContact OE1-CA 3.3Å; L86-F95 HydrophobicContact CD2-CE1 3.9Å; L86-F95 HydrophobicContact CD2-CZ 3.88Å; L86-F95 HydrophobicContact CG-CE1 4.39Å; L89-F95 HydrophobicContact CD1-CD1 3.65Å; L89-F95 HydrophobicContact CD1-CE1 3.76Å; L89-F95 HydrophobicContact CD1-CG 4.16Å; L89-F95 HydrophobicContact CD1-CZ 4.33Å; F95-L97 PolarHBondContact O-N 3.38Å; F95-T98 PolarHBondContact O-N 3.34Å; F95-S99 PolarHBondContact O-N 3.45Å; F95-Y160 HydrophobicContact CB-CD1 4.21Å; F95-Y160 PolarHBondContact N-O 3.25Å; F95-L163 HydrophobicContact CD2-CB 4.08Å; F95-L163 HydrophobicContact CE2-CB 4.38Å; F95-K165 HydrophobicContact CZ-CB 4.43Å
96V95.8Very high94.6Very high66 Ų6665.6 Ų65.640%0.431%0.312SS..Hα-helixtrans-63.3-44.3-170.3-178.80000112.1R94 S99 I100R94-V96 HydrophobicContact CB-CG2 3.77Å; R94-V96 PolarHBondContact O-N 3.25Å; V96-S99 WeakPolarHBondContact O-CB 3.22Å; V96-S99 PolarHBondContact O-N 3.47Å; V96-I100 HydrophobicContact CG1-CD1 3.91Å; V96-I100 HydrophobicContact CG1-CG1 4.41Å; V96-I100 WeakPolarHBondContact O-CG1 3.49Å; V96-I100 PolarHBondContact O-N 2.94Å
97L96.5Very high94.9Very high87 Ų8768 Ų6846%0.45533%0.325SS..Hα-helixtrans-63-47.3179.7-177.761.8000112.1I81 F95 S99 I100 I101I81-L97 HydrophobicContact CD1-CD2 3.99Å; I81-L97 HydrophobicContact CD1-CG 4.21Å; I81-L97 HydrophobicContact CG2-CB 4.39Å; I81-L97 HydrophobicContact CG2-CD2 3.85Å; I81-L97 HydrophobicContact CG2-CG 4.02Å; F95-L97 PolarHBondContact O-N 3.38Å; L97-S99 VanDerWaalsContact C-N 3.25Å; L97-S99 PolarHBondContact O-N 2.91Å; L97-I100 PolarHBondContact O-N 3.45Å; L97-I101 HydrophobicContact CD1-CD1 4.33Å; L97-I101 HydrophobicContact CG-CD1 4.42Å; L97-I101 WeakPolarHBondContact O-CG1 3.46Å; L97-I101 PolarHBondContact O-N 3.33Å
98T97.7Very high95.3Very high0 Ų061 Ų610%030%0.296CS..Hα-helixtrans-54.2-45.6172.7-68.60000111F82 Q85 F95 I101 Q102 Y160F82-T98 VanDerWaalsContact CA-OG1 3.22Å; F82-T98 WeakPolarHBondContact CA-OG1 3.45Å; F82-T98 HydrophobicContact CB-CG2 3.72Å; F82-T98 HydrophobicContact CD2-CG2 4.41Å; F82-T98 HydrophobicContact CG-CG2 4.41Å; F82-T98 PolarHBondContact N-OG1 2.92Å; F82-T98 VanDerWaalsContact N-OG1 3.12Å; Q85-T98 PolarHBondContact OE1-OG1 3.28Å; Q85-T98 VanDerWaalsContact OE1-OG1 3.05Å; F95-T98 PolarHBondContact O-N 3.34Å; T98-I101 PolarHBondContact O-N 3.47Å; T98-Q102 WeakPolarHBondContact O-CB 3.43Å; T98-Q102 PolarHBondContact O-N 3Å; T98-Y160 HydrophobicContact CG2-CD1 3.96Å; T98-Y160 HydrophobicContact CG2-CD2 3.44Å; T98-Y160 VanDerWaalsContact CG2-CD2 3.44Å; T98-Y160 HydrophobicContact CG2-CE1 4.1Å; T98-Y160 HydrophobicContact CG2-CE2 3.57Å; T98-Y160 HydrophobicContact CG2-CG 3.64Å
99S97.6Very high95.7Very high0 Ų050.5 Ų50.50%026%0.256CS..Hα-helixtrans-60.4-48.7179.4176.40000112.9F95 V96 L97 I101 Q102 L103 G157 L161F95-S99 PolarHBondContact O-N 3.45Å; V96-S99 WeakPolarHBondContact O-CB 3.22Å; V96-S99 PolarHBondContact O-N 3.47Å; L97-S99 VanDerWaalsContact C-N 3.25Å; L97-S99 PolarHBondContact O-N 2.91Å; S99-I101 VanDerWaalsContact C-N 3.3Å; S99-I101 PolarHBondContact O-N 3.49Å; S99-Q102 PolarHBondContact O-N 3.42Å; S99-Q102 VanDerWaalsContact O-N 3.15Å; S99-L103 WeakPolarHBondContact O-CB 3.44Å; S99-L103 WeakPolarHBondContact O-CG 3.38Å; S99-L103 PolarHBondContact O-N 3.32Å; S99-G157 WeakPolarHBondContact CB-O 3.41Å; S99-G157 PolarHBondContact OG-O 3.45Å; S99-L161 VanDerWaalsContact CB-CD2 3.43Å; S99-L161 WeakPolarHBondContact OG-CD2 3.48Å; S99-L161 WeakPolarHBondContact OG-CG 3.34Å
100I98.4Very high96.1Very high88 Ų8852.5 Ų52.545%0.45127%0.266SS..Hα-helixtrans-57-47.3-178.2-70.3167.2000110.1V96 L97 Q102 L103 M104V96-I100 HydrophobicContact CG1-CD1 3.91Å; V96-I100 HydrophobicContact CG1-CG1 4.41Å; V96-I100 WeakPolarHBondContact O-CG1 3.49Å; V96-I100 PolarHBondContact O-N 2.94Å; L97-I100 PolarHBondContact O-N 3.45Å; I100-Q102 PolarHBondContact O-N 3.41Å; I100-L103 PolarHBondContact O-N 3.13Å; I100-M104 HydrophobicContact CG2-SD 4.29Å; I100-M104 WeakPolarHBondContact O-CG 3.32Å; I100-M104 PolarHBondContact O-N 3.14Å
101I98.6Very high96.5Very high22 Ų2248.5 Ų48.511%0.11325%0.251CS..Hα-helixtrans-66.7-39.8-179.9-59.8179.2000111.2L74 I77 A78 I81 L97 T98 S99 L103 M104 A105L74-I101 HydrophobicContact CB-CG2 4.15Å; L74-I101 HydrophobicContact CD2-CG2 4.03Å; L74-I101 VanDerWaalsContact O-CG2 3.32Å; L74-I101 WeakPolarHBondContact O-CG2 3.34Å; I77-I101 HydrophobicContact CB-CG2 4.44Å; I77-I101 HydrophobicContact CG2-CD1 4.02Å; I77-I101 HydrophobicContact CG2-CG2 4.25Å; A78-I101 HydrophobicContact CB-CB 4.12Å; A78-I101 HydrophobicContact CB-CG2 3.9Å; I81-I101 HydrophobicContact CD1-CD1 3.39Å; L97-I101 HydrophobicContact CD1-CD1 4.33Å; L97-I101 HydrophobicContact CG-CD1 4.42Å; L97-I101 WeakPolarHBondContact O-CG1 3.46Å; L97-I101 PolarHBondContact O-N 3.33Å; T98-I101 PolarHBondContact O-N 3.47Å; S99-I101 VanDerWaalsContact C-N 3.3Å; S99-I101 PolarHBondContact O-N 3.49Å; I101-L103 VanDerWaalsContact C-N 3.33Å; I101-L103 PolarHBondContact O-N 3.44Å; I101-M104 WeakPolarHBondContact O-CB 3.4Å; I101-M104 PolarHBondContact O-N 2.93Å; I101-A105 PolarHBondContact O-N 3.26Å
102Q98.4Very high97Very high0 Ų043.2 Ų43.20%023%0.226CC..Hα-helixtrans-64.5-37.5176.3-169.267.37.800112.2H12 A78 T98 S99 I100 A105 C106H12-Q102 VanDerWaalsContact CE1-CD 3.46Å; H12-Q102 PolarHBondContact CE1-OE1 3.41Å; H12-Q102 PolarHBondContact NE2-OE1 2.98Å; A78-Q102 HydrophobicContact CB-CB 4.11Å; A78-Q102 VanDerWaalsContact CB-OE1 3.27Å; T98-Q102 WeakPolarHBondContact O-CB 3.43Å; T98-Q102 PolarHBondContact O-N 3Å; S99-Q102 PolarHBondContact O-N 3.42Å; S99-Q102 VanDerWaalsContact O-N 3.15Å; I100-Q102 PolarHBondContact O-N 3.41Å; Q102-A105 WeakPolarHBondContact O-CB 3.35Å; Q102-A105 PolarHBondContact O-N 2.99Å; Q102-C106 WeakPolarHBondContact O-CB 3.47Å; Q102-C106 PolarHBondContact O-N 3.42Å
103L98.5Very high97.6Very high48 Ų4841.3 Ų41.325%0.25121%0.206SC..Hα-helixtrans-71.6-32.2175-70.5173.5000112.1S99 I100 I101 C106 L107 F154 L161S99-L103 WeakPolarHBondContact O-CB 3.44Å; S99-L103 WeakPolarHBondContact O-CG 3.38Å; S99-L103 PolarHBondContact O-N 3.32Å; I100-L103 PolarHBondContact O-N 3.13Å; I101-L103 VanDerWaalsContact C-N 3.33Å; I101-L103 PolarHBondContact O-N 3.44Å; L103-C106 WeakPolarHBondContact O-CB 3.29Å; L103-C106 PolarHBondContact O-N 3.45Å; L103-L107 PolarHBondContact O-N 2.88Å; L103-F154 HydrophobicContact CD2-CD2 4.07Å; L103-F154 HydrophobicContact CD2-CE2 4.48Å; L103-L161 HydrophobicContact CD1-CD1 4.27Å
104M98.7Very high97.9Very high97 Ų9739.8 Ų39.848%0.47821%0.205SC..Hα-helixtrans-64.9-42.8169.6-70.6175.367.600111.3L74 I100 I101 C106 L107 C108L74-M104 HydrophobicContact CD1-CB 3.97Å; I100-M104 HydrophobicContact CG2-SD 4.29Å; I100-M104 WeakPolarHBondContact O-CG 3.32Å; I100-M104 PolarHBondContact O-N 3.14Å; I101-M104 WeakPolarHBondContact O-CB 3.4Å; I101-M104 PolarHBondContact O-N 2.93Å; M104-C106 VanDerWaalsContact C-N 3.34Å; M104-C106 PolarHBondContact O-N 2.82Å; M104-L107 PolarHBondContact O-N 3.33Å; M104-C108 PolarHBondContact O-N 2.87Å; M104-C108 PolarHBondContact O-SG 2.93Å; M104-C108 VanDerWaalsContact O-SG 3.33Å
105A98.7Very high98.1Very high0 Ų036.6 Ų36.60%020%0.196CC..Hα-helixtrans-57.6-48.6172.900000111S71 L74 C75 I101 Q102 L107 C108 V109S71-A105 WeakPolarHBondContact CB-O 3.48Å; S71-A105 WeakPolarHBondContact O-CB 3.4Å; L74-A105 HydrophobicContact CB-CB 3.75Å; C75-A105 HydrophobicContact CB-CB 4.25Å; I101-A105 PolarHBondContact O-N 3.26Å; Q102-A105 WeakPolarHBondContact O-CB 3.35Å; Q102-A105 PolarHBondContact O-N 2.99Å; A105-L107 VanDerWaalsContact C-N 3.33Å; A105-L107 PolarHBondContact O-N 3.05Å; A105-C108 WeakPolarHBondContact O-CB 3.28Å; A105-C108 PolarHBondContact O-N 2.92Å; A105-C108 VanDerWaalsContact O-N 3.14Å; A105-V109 WeakPolarHBondContact O-CG2 3.14Å; A105-V109 PolarHBondContact O-N 3.33Å; A105-V109 VanDerWaalsContact O-N 3.13Å
106C98.8Very high98.2Very high6 Ų636.2 Ų36.24%0.04119%0.194CC..Hα-helixtrans-53.8-46.1175.3172.30000112.7Q102 L103 M104 V109 M110 F150 T153Q102-C106 WeakPolarHBondContact O-CB 3.47Å; Q102-C106 PolarHBondContact O-N 3.42Å; L103-C106 WeakPolarHBondContact O-CB 3.29Å; L103-C106 PolarHBondContact O-N 3.45Å; M104-C106 VanDerWaalsContact C-N 3.34Å; M104-C106 PolarHBondContact O-N 2.82Å; C106-V109 PolarHBondContact O-N 3.31Å; C106-M110 PolarHBondContact O-N 2.89Å; C106-M110 VanDerWaalsContact O-N 3.11Å; C106-F150 WeakPolarHBondContact SG-CD2 3.38Å; C106-F150 WeakPolarHBondContact SG-CE2 3.45Å; C106-T153 WeakPolarHBondContact CA-OG1 3.31Å; C106-T153 WeakPolarHBondContact CB-OG1 3.41Å
107L98.8Very high98.3Very high92 Ų9235.6 Ų35.648%0.48219%0.191SC..Hα-helixtrans-61.7-43.2177.7179.763.1000111.5L103 M104 A105 V109 M110 I111L103-L107 PolarHBondContact O-N 2.88Å; M104-L107 PolarHBondContact O-N 3.33Å; A105-L107 VanDerWaalsContact C-N 3.33Å; A105-L107 PolarHBondContact O-N 3.05Å; L107-V109 PolarHBondContact O-N 2.47Å; L107-M110 PolarHBondContact O-N 3.16Å; L107-I111 HydrophobicContact CD1-CD1 4.05Å; L107-I111 HydrophobicContact CD1-CG1 4.31Å; L107-I111 HydrophobicContact CG-CD1 3.85Å; L107-I111 VanDerWaalsContact O-CG1 3.29Å; L107-I111 WeakPolarHBondContact O-CG1 3.08Å; L107-I111 PolarHBondContact O-N 2.88Å
108C98.8Very high98.4Very high15 Ų1537.1 Ų37.110%0.10120%0.199CC..Hα-helixtrans-59.8-43177.6-680000112.5M104 A105 I111 A112M104-C108 PolarHBondContact O-N 2.87Å; M104-C108 PolarHBondContact O-SG 2.93Å; M104-C108 VanDerWaalsContact O-SG 3.33Å; A105-C108 WeakPolarHBondContact O-CB 3.28Å; A105-C108 PolarHBondContact O-N 2.92Å; A105-C108 VanDerWaalsContact O-N 3.14Å; C108-I111 PolarHBondContact O-N 3.17Å; C108-A112 WeakPolarHBondContact O-CB 3.26Å; C108-A112 PolarHBondContact O-N 3.24Å
109V98.6Very high98.3Very high0 Ų040 Ų400%021%0.21CC..Hα-helixtrans-63.7-45.7177.5-174.30000111.1L19 S71 A105 C106 L107 I111 A112 A113 A146 F150L19-V109 HydrophobicContact CD2-CG1 4.35Å; L19-V109 HydrophobicContact CD2-CG2 3.33Å; S71-V109 VanDerWaalsContact CB-CG2 3.49Å; A105-V109 WeakPolarHBondContact O-CG2 3.14Å; A105-V109 PolarHBondContact O-N 3.33Å; A105-V109 VanDerWaalsContact O-N 3.13Å; C106-V109 PolarHBondContact O-N 3.31Å; L107-V109 PolarHBondContact O-N 2.47Å; V109-I111 VanDerWaalsContact C-N 3.31Å; V109-I111 PolarHBondContact O-N 3.09Å; V109-A112 PolarHBondContact O-N 3.31Å; V109-A113 WeakPolarHBondContact O-CB 3.3Å; V109-A113 PolarHBondContact O-N 2.72Å; V109-A146 HydrophobicContact CG1-CB 4.29Å; V109-A146 WeakPolarHBondContact CG1-O 3.25Å; V109-F150 HydrophobicContact CB-CB 4.37Å; V109-F150 HydrophobicContact CG1-CB 3.99Å
110M98.6Very high98.2Very high69 Ų6941 Ų4134%0.3421%0.214SC..Hα-helixtrans-59.3-44.5178.9-176-164.4-62.700111C106 L107 S114 W147 F150C106-M110 PolarHBondContact O-N 2.89Å; C106-M110 VanDerWaalsContact O-N 3.11Å; L107-M110 PolarHBondContact O-N 3.16Å; M110-S114 VanDerWaalsContact O-CB 3.22Å; M110-S114 WeakPolarHBondContact O-CB 3.29Å; M110-S114 PolarHBondContact O-N 3.31Å; M110-S114 PolarHBondContact O-OG 2.97Å; M110-W147 HydrophobicContact CG-CZ3 4.45Å; M110-F150 HydrophobicContact CB-CD2 4.01Å; M110-F150 HydrophobicContact CB-CE2 4.34Å; M110-F150 HydrophobicContact CE-CD2 3.92Å; M110-F150 HydrophobicContact CE-CE2 3.11Å; M110-F150 HydrophobicContact CE-CZ 3.54Å
111I98.7Very high98Very high69 Ų6942.3 Ų42.335%0.35422%0.218SC..Hα-helixtrans-61.2-49.1176.9-69167.3000110.4T67 L107 C108 V109 A113 S114 I115T67-I111 HydrophobicContact CG2-CG2 4.29Å; L107-I111 HydrophobicContact CD1-CD1 4.05Å; L107-I111 HydrophobicContact CD1-CG1 4.31Å; L107-I111 HydrophobicContact CG-CD1 3.85Å; L107-I111 VanDerWaalsContact O-CG1 3.29Å; L107-I111 WeakPolarHBondContact O-CG1 3.08Å; L107-I111 PolarHBondContact O-N 2.88Å; C108-I111 PolarHBondContact O-N 3.17Å; V109-I111 VanDerWaalsContact C-N 3.31Å; V109-I111 PolarHBondContact O-N 3.09Å; I111-A113 PolarHBondContact O-N 3.28Å; I111-S114 PolarHBondContact O-N 2.83Å; I111-I115 HydrophobicContact CG2-CD1 3.58Å; I111-I115 HydrophobicContact CG2-CG1 4.28Å; I111-I115 WeakPolarHBondContact O-CB 3.29Å; I111-I115 VanDerWaalsContact O-CG1 3.28Å; I111-I115 WeakPolarHBondContact O-CG1 3.08Å; I111-I115 PolarHBondContact O-N 2.85Å
112A98.6Very high97.9Very high0 Ų043.6 Ų43.60%023%0.225CC..Hα-helixtrans-57.1-52.5179.800000112.1V64 T67 M68 C108 V109 S114 I115 Y116V64-A112 HydrophobicContact CG1-CB 4.23Å; T67-A112 VanDerWaalsContact OG1-CB 3.23Å; T67-A112 WeakPolarHBondContact OG1-CB 3.43Å; M68-A112 HydrophobicContact CG-CB 3.73Å; M68-A112 HydrophobicContact SD-CB 3.53Å; M68-A112 VanDerWaalsContact SD-CB 3.53Å; C108-A112 WeakPolarHBondContact O-CB 3.26Å; C108-A112 PolarHBondContact O-N 3.24Å; V109-A112 PolarHBondContact O-N 3.31Å; A112-S114 VanDerWaalsContact C-N 3.33Å; A112-S114 PolarHBondContact O-N 3.4Å; A112-I115 PolarHBondContact O-N 3.26Å; A112-Y116 WeakPolarHBondContact O-CB 3.29Å; A112-Y116 PolarHBondContact O-N 2.53Å
113A98.4Very high97.7Very high0 Ų043.8 Ų43.80%023%0.226CC..Hα-helixtrans-64.6-38.3-178.800000111.7V109 I111 T117 W147V109-A113 WeakPolarHBondContact O-CB 3.3Å; V109-A113 PolarHBondContact O-N 2.72Å; I111-A113 PolarHBondContact O-N 3.28Å; A113-T117 WeakPolarHBondContact O-CB 3.48Å; A113-T117 PolarHBondContact O-N 3.17Å; A113-T117 PolarHBondContact O-OG1 3.38Å; A113-W147 HydrophobicContact CB-CD2 4.11Å; A113-W147 HydrophobicContact CB-CH2 4.15Å; A113-W147 HydrophobicContact CB-CZ2 3.68Å
114S98.6Very high97.5Very high51 Ų5142.5 Ų42.536%0.35722%0.219SC..Hα-helixtrans-68.7-46.1178.6-560000112M110 I111 A112 Y116 T117 D118M110-S114 VanDerWaalsContact O-CB 3.22Å; M110-S114 WeakPolarHBondContact O-CB 3.29Å; M110-S114 PolarHBondContact O-N 3.31Å; M110-S114 PolarHBondContact O-OG 2.97Å; I111-S114 PolarHBondContact O-N 2.83Å; A112-S114 VanDerWaalsContact C-N 3.33Å; A112-S114 PolarHBondContact O-N 3.4Å; S114-Y116 VanDerWaalsContact C-N 3.33Å; S114-Y116 PolarHBondContact O-N 3.06Å; S114-T117 PolarHBondContact O-N 3.11Å; S114-D118 WeakPolarHBondContact O-CB 3.14Å; S114-D118 PolarHBondContact O-N 3.4Å
115I98.4Very high97.3Very high49 Ų4944.4 Ų44.425%0.25123%0.226SC..Hα-helixtrans-58.9-47.4176.1-70.1171.3000110T60 A63 V64 I111 A112 T117 D118 R119T60-I115 HydrophobicContact CG2-CG2 3.62Å; A63-I115 HydrophobicContact CB-CD1 4.38Å; V64-I115 HydrophobicContact CG2-CB 4.06Å; V64-I115 HydrophobicContact CG2-CG2 3.71Å; I111-I115 HydrophobicContact CG2-CD1 3.58Å; I111-I115 HydrophobicContact CG2-CG1 4.28Å; I111-I115 WeakPolarHBondContact O-CB 3.29Å; I111-I115 VanDerWaalsContact O-CG1 3.28Å; I111-I115 WeakPolarHBondContact O-CG1 3.08Å; I111-I115 PolarHBondContact O-N 2.85Å; A112-I115 PolarHBondContact O-N 3.26Å; I115-T117 VanDerWaalsContact C-N 3.34Å; I115-T117 PolarHBondContact O-N 3.37Å; I115-D118 PolarHBondContact O-N 3.09Å; I115-R119 HydrophobicContact CG2-CG 4.25Å; I115-R119 VanDerWaalsContact O-CB 3.29Å; I115-R119 WeakPolarHBondContact O-CB 3.33Å; I115-R119 WeakPolarHBondContact O-CG 3.36Å; I115-R119 PolarHBondContact O-N 3.02Å
116Y98.2Very high97.2Very high2 Ų248.1 Ų48.11%0.00824%0.243CC..Hα-helixtrans-62.2-43.2178.8179.8-97.5000111.8W28 D37 L61 A112 S114 D118 R119 R120 Y139 Y143W28-Y116 HydrophobicContact CB-CE1 4.31Å; W28-Y116 HydrophobicContact CB-CE2 4.5Å; W28-Y116 AromaticContact CE3-CD1 3.49Å; W28-Y116 HydrophobicContact CE3-CD1 3.49Å; W28-Y116 VanDerWaalsContact CE3-CD1 3.49Å; W28-Y116 AromaticContact CE3-CD2 3.89Å; W28-Y116 HydrophobicContact CE3-CD2 3.89Å; W28-Y116 AromaticContact CE3-CE1 3.76Å; W28-Y116 HydrophobicContact CE3-CE1 3.76Å; W28-Y116 HydrophobicContact CE3-CE2 4.18Å; W28-Y116 AromaticContact CE3-CG 3.53Å; W28-Y116 HydrophobicContact CE3-CG 3.53Å; W28-Y116 AromaticContact CZ3-CD1 3.87Å; W28-Y116 HydrophobicContact CZ3-CD1 3.87Å; W28-Y116 HydrophobicContact CZ3-CD2 4.31Å; W28-Y116 AromaticContact CZ3-CG 3.69Å; W28-Y116 HydrophobicContact CZ3-CG 3.69Å; D37-Y116 HydrophobicContact CB-CE2 3.75Å; D37-Y116 WeakPolarHBondContact OD2-CE2 3.19Å; D37-Y116 VanDerWaalsContact OD2-CZ 3.31Å; D37-Y116 PolarHBondContact OD2-OH 2.69Å; L61-Y116 HydrophobicContact CD2-CD2 4.44Å; A112-Y116 WeakPolarHBondContact O-CB 3.29Å; A112-Y116 PolarHBondContact O-N 2.53Å; S114-Y116 VanDerWaalsContact C-N 3.33Å; S114-Y116 PolarHBondContact O-N 3.06Å; Y116-D118 VanDerWaalsContact C-N 3.31Å; Y116-D118 PolarHBondContact O-N 3.43Å; Y116-R119 PolarHBondContact O-N 3.49Å; Y116-R120 HydrophobicContact CE1-CG 4.49Å; Y116-R120 HydrophobicContact CE2-CB 4.25Å; Y116-R120 HydrophobicContact CE2-CG 4.15Å; Y116-R120 WeakPolarHBondContact O-CB 3.29Å; Y116-R120 PolarHBondContact O-N 3.46Å; Y116-Y139 HydrophobicContact CD1-CE1 4.11Å; Y116-Y139 AromaticContact CE1-CD1 3.93Å; Y116-Y139 HydrophobicContact CE1-CD1 3.93Å; Y116-Y139 AromaticContact CE1-CE1 3.69Å; Y116-Y139 HydrophobicContact CE1-CE1 3.69Å; Y116-Y143 AromaticContact CD1-CD2 3.58Å; Y116-Y143 HydrophobicContact CD1-CD2 3.58Å; Y116-Y143 AromaticContact CD1-CE2 3.75Å; Y116-Y143 HydrophobicContact CD1-CE2 3.75Å; Y116-Y143 AromaticContact CE1-CD2 3.83Å; Y116-Y143 HydrophobicContact CE1-CD2 3.83Å; Y116-Y143 HydrophobicContact CE1-CE2 4.27Å
117T97.4Very high97Very high52 Ų5248.2 Ų48.232%0.31924%0.243SC..Hα-helixtrans-59.4-42.5178.3-55.10000111.8A113 S114 I115 Y143A113-T117 WeakPolarHBondContact O-CB 3.48Å; A113-T117 PolarHBondContact O-N 3.17Å; A113-T117 PolarHBondContact O-OG1 3.38Å; S114-T117 PolarHBondContact O-N 3.11Å; I115-T117 VanDerWaalsContact C-N 3.34Å; I115-T117 PolarHBondContact O-N 3.37Å; T117-Y143 WeakPolarHBondContact OG1-CE2 3.38Å; T117-Y143 PolarHBondContact OG1-OH 3.47Å
118D97.8Very high96.7Very high120 Ų12047.8 Ų47.864%0.64224%0.239SC*.Hα-helixtrans-76.5-38.9-178-178.374000113.3S114 I115 Y116S114-D118 WeakPolarHBondContact O-CB 3.14Å; S114-D118 PolarHBondContact O-N 3.4Å; I115-D118 PolarHBondContact O-N 3.09Å; Y116-D118 VanDerWaalsContact C-N 3.31Å; Y116-D118 PolarHBondContact O-N 3.43Å
119R96.7Very high96.3Very high61 Ų6154.7 Ų54.723%0.2327%0.27CS..Hα-helixtrans-103.2-9.7-167.3-57-62.7-60.1146.36.3114.8E57 T60 I115 Y116 E121 D122 I123E57-R119 IonicContact OE1-NH2 3.29Å; E57-R119 PolarHBondContact OE1-NH2 3.07Å; E57-R119 IonicContact OE2-CZ 3.12Å; E57-R119 IonicContact OE2-NH2 3.06Å; E57-R119 PolarHBondContact OE2-NH2 2.66Å; T60-R119 HydrophobicContact CG2-CB 3.67Å; T60-R119 HydrophobicContact CG2-CG 3.69Å; I115-R119 HydrophobicContact CG2-CG 4.25Å; I115-R119 VanDerWaalsContact O-CB 3.29Å; I115-R119 WeakPolarHBondContact O-CB 3.33Å; I115-R119 WeakPolarHBondContact O-CG 3.36Å; I115-R119 PolarHBondContact O-N 3.02Å; Y116-R119 PolarHBondContact O-N 3.49Å; R119-E121 PolarHBondContact O-N 3.38Å; R119-D122 IonicContact CZ-OD2 3.41Å; R119-D122 IonicContact NH1-OD2 2.64Å; R119-D122 PolarHBondContact NH1-OD2 3.35Å; R119-D122 IonicContact NH2-OD2 3.47Å; R119-D122 PolarHBondContact NH2-OD2 2.87Å; R119-D122 PolarHBondContact O-N 2.89Å; R119-I123 HydrophobicContact CB-CD1 3.99Å; R119-I123 WeakPolarHBondContact O-CD1 3.36Å; R119-I123 VanDerWaalsContact O-CG1 3.32Å; R119-I123 WeakPolarHBondContact O-CG1 3.32Å; R119-I123 PolarHBondContact O-N 3.01Å; R119-I123 VanDerWaalsContact O-N 3.09Å
120R94.9Very high95.9Very high21 Ų2157.2 Ų57.28%0.07928%0.281CS..Hα-helixtrans-55.8-49.1-174.4176-138.459.6-141.6-1.1112.7W29 Y116 D122 I123 H124 Y139W29-R120 VanDerWaalsContact CZ3-NH1 3.28Å; Y116-R120 HydrophobicContact CE1-CG 4.49Å; Y116-R120 HydrophobicContact CE2-CB 4.25Å; Y116-R120 HydrophobicContact CE2-CG 4.15Å; Y116-R120 WeakPolarHBondContact O-CB 3.29Å; Y116-R120 PolarHBondContact O-N 3.46Å; R120-D122 PolarHBondContact O-N 2.93Å; R120-I123 PolarHBondContact O-N 3.48Å; R120-I123 VanDerWaalsContact O-N 3.17Å; R120-H124 PolarHBondContact O-CD2 3.44Å; R120-H124 PolarHBondContact O-N 2.89Å; R120-Y139 PolarHBondContact NH1-OH 2.89Å
121E94.9Very high95.6Very high114 Ų11454 Ų5453%0.53327%0.266SS..Hα-helixtrans-56.9-53.3-178-65.4-174.7171.200111.3R119 I123 H124 E125R119-E121 PolarHBondContact O-N 3.38Å; E121-I123 VanDerWaalsContact C-N 3.26Å; E121-I123 PolarHBondContact O-N 3.45Å; E121-H124 PolarHBondContact O-N 3Å; E121-H124 VanDerWaalsContact O-N 3.11Å; E121-E125 WeakPolarHBondContact O-CG 3.22Å; E121-E125 PolarHBondContact O-N 2.97Å
122D94.9Very high95.2Very high50 Ų5057.1 Ų57.127%0.26727%0.274SS..Hα-helixtrans-52.3-43.7175.5-80.632.1000112.9R119 R120 K126R119-D122 IonicContact CZ-OD2 3.41Å; R119-D122 IonicContact NH1-OD2 2.64Å; R119-D122 PolarHBondContact NH1-OD2 3.35Å; R119-D122 IonicContact NH2-OD2 3.47Å; R119-D122 PolarHBondContact NH2-OD2 2.87Å; R119-D122 PolarHBondContact O-N 2.89Å; R120-D122 PolarHBondContact O-N 2.93Å; D122-K126 VanDerWaalsContact O-CB 3.26Å; D122-K126 WeakPolarHBondContact O-CB 3.42Å; D122-K126 WeakPolarHBondContact O-CD 3.23Å; D122-K126 WeakPolarHBondContact O-CG 3.4Å; D122-K126 PolarHBondContact O-N 2.71Å; D122-K126 IonicContact OD2-NZ 2.73Å; D122-K126 PolarHBondContact OD2-NZ 3.36Å
123I94.5Very high94.7Very high3 Ų360.2 Ų60.22%0.01529%0.289CS..Hα-helixtrans-66.9-43.8-179.6-69.2158.1000110.7T60 L61 R119 R120 E121 N127 Y131T60-I123 HydrophobicContact CG2-CD1 4.03Å; L61-I123 HydrophobicContact CD1-CG2 3.81Å; L61-I123 HydrophobicContact CD2-CD1 4.12Å; L61-I123 HydrophobicContact CG-CD1 3.82Å; L61-I123 HydrophobicContact CG-CG2 4.31Å; R119-I123 HydrophobicContact CB-CD1 3.99Å; R119-I123 WeakPolarHBondContact O-CD1 3.36Å; R119-I123 VanDerWaalsContact O-CG1 3.32Å; R119-I123 WeakPolarHBondContact O-CG1 3.32Å; R119-I123 PolarHBondContact O-N 3.01Å; R119-I123 VanDerWaalsContact O-N 3.09Å; R120-I123 PolarHBondContact O-N 3.48Å; R120-I123 VanDerWaalsContact O-N 3.17Å; E121-I123 VanDerWaalsContact C-N 3.26Å; E121-I123 PolarHBondContact O-N 3.45Å; I123-N127 WeakPolarHBondContact O-CB 3.43Å; I123-N127 PolarHBondContact O-N 3.29Å; I123-N127 PolarHBondContact O-ND2 3.38Å; I123-Y131 HydrophobicContact CG2-CE2 4.44Å
124H95.3Very high94.3Very high21 Ų2160.4 Ų60.410%0.09729%0.29CS..Hα-helixtrans-65.6-46.7179.8-71.6-164.7000110.7W29 D37 R120 E121 N127 M128 Y131W29-H124 AromaticContact CD1-CE1 3.57Å; W29-H124 AromaticContact CG-CE1 3.75Å; W29-H124 AromaticContact NE1-CE1 3.84Å; D37-H124 IonicContact OD1-NE2 2.81Å; D37-H124 PolarHBondContact OD1-NE2 2.88Å; D37-H124 IonicContact OD2-CE1 2.69Å; D37-H124 IonicContact OD2-NE2 3.29Å; D37-H124 PolarHBondContact OD2-NE2 3.36Å; R120-H124 PolarHBondContact O-CD2 3.44Å; R120-H124 PolarHBondContact O-N 2.89Å; E121-H124 PolarHBondContact O-N 3Å; E121-H124 VanDerWaalsContact O-N 3.11Å; H124-N127 CarbonylContact O-C 3.56Å; H124-N127 PolarHBondContact O-N 3.11Å; H124-M128 PolarHBondContact O-N 3.1Å; H124-Y131 HydrophobicContact CB-CD1 4.39Å; H124-Y131 HydrophobicContact CB-CG 4.19Å; H124-Y131 AromaticContact CD2-CD1 3.53Å; H124-Y131 AromaticContact CD2-CE1 3.33Å; H124-Y131 WeakPolarHBondContact CD2-CE1 3.43Å; H124-Y131 AromaticContact CD2-CZ 3.6Å; H124-Y131 AromaticContact CE1-CD1 3.93Å; H124-Y131 AromaticContact CE1-CE1 3.9Å; H124-Y131 AromaticContact CG-CD1 3.76Å; H124-Y131 AromaticContact NE2-CD1 3.65Å; H124-Y131 AromaticContact NE2-CE1 3.23Å; H124-Y131 WeakPolarHBondContact NE2-CE1 3.49Å; H124-Y131 AromaticContact NE2-CZ 3.83Å
125E94.9Very high93.8Very high137 Ų13764.2 Ų64.264%0.6430%0.302SS*.Hα-helixtrans-63.5-43.3179.3-71.3-176.7174.500112.8E121 N127 M128E121-E125 WeakPolarHBondContact O-CG 3.22Å; E121-E125 PolarHBondContact O-N 2.97Å; E125-N127 PolarHBondContact O-N 3.44Å; E125-M128 VanDerWaalsContact O-CG 3.22Å; E125-M128 WeakPolarHBondContact O-CG 3.36Å
126K95.3Very high93.4Very high79 Ų7966 Ų6634%0.34333%0.332SS..Hα-helixtrans-70.9-18.4179.1-72.7169-173.5152.20113.4Q56 E57 D122Q56-K126 HydrophobicContact CB-CB 4.1Å; E57-K126 VanDerWaalsContact CD-NZ 3.26Å; E57-K126 HydrophobicContact CG-CD 4.15Å; E57-K126 IonicContact OE1-NZ 3.54Å; E57-K126 PolarHBondContact OE1-NZ 3.16Å; E57-K126 IonicContact OE2-NZ 3.77Å; E57-K126 PolarHBondContact OE2-NZ 2.69Å; D122-K126 VanDerWaalsContact O-CB 3.26Å; D122-K126 WeakPolarHBondContact O-CB 3.42Å; D122-K126 WeakPolarHBondContact O-CD 3.23Å; D122-K126 WeakPolarHBondContact O-CG 3.4Å; D122-K126 PolarHBondContact O-N 2.71Å; D122-K126 IonicContact OD2-NZ 2.73Å; D122-K126 PolarHBondContact OD2-NZ 3.36Å
127N94.6Very high93.2Very high8 Ų866.6 Ų66.64%0.04334%0.339CS..THydrogen-bonded Turntrans-118.933.3-177.5-63.9-78.3000112.3F55 Q56 I123 H124 E125 Q129 F130 Y131F55-N127 WeakPolarHBondContact CA-OD1 3.25Å; F55-N127 HydrophobicContact CD1-CB 3.89Å; F55-N127 HydrophobicContact CE1-CB 4.26Å; Q56-N127 PolarHBondContact N-OD1 3.37Å; Q56-N127 PolarHBondContact O-ND2 3.16Å; I123-N127 WeakPolarHBondContact O-CB 3.43Å; I123-N127 PolarHBondContact O-N 3.29Å; I123-N127 PolarHBondContact O-ND2 3.38Å; H124-N127 CarbonylContact O-C 3.56Å; H124-N127 PolarHBondContact O-N 3.11Å; E125-N127 PolarHBondContact O-N 3.44Å; N127-Q129 PolarHBondContact O-N 2.81Å; N127-F130 HydrophobicContact CB-CD2 4.37Å; N127-F130 PolarHBondContact O-N 2.97Å; N127-Y131 HydrophobicContact CB-CD2 3.76Å; N127-Y131 HydrophobicContact CB-CE2 3.93Å; N127-Y131 WeakPolarHBondContact O-CD2 3.29Å; N127-Y131 PolarHBondContact O-N 2.84Å
128M92.3Very high93.2Very high83 Ų8367.3 Ų67.341%0.40935%0.346SS..Hα-helixtrans-50.1-31.2-177.3-86.4-71.1-80.200115H124 E125 F130 Y131 Y132 E135H124-M128 PolarHBondContact O-N 3.1Å; E125-M128 VanDerWaalsContact O-CG 3.22Å; E125-M128 WeakPolarHBondContact O-CG 3.36Å; M128-F130 PolarHBondContact O-N 2.99Å; M128-F130 VanDerWaalsContact O-N 3.11Å; M128-Y131 PolarHBondContact O-N 2.94Å; M128-Y132 WeakPolarHBondContact O-CB 3.23Å; M128-Y132 PolarHBondContact O-N 2.95Å; M128-E135 WeakPolarHBondContact CE-OE1 3.23Å
129Q91.4Very high93.2Very high160 Ų16065.3 Ų65.375%0.74833%0.33SS*.Hα-helixtrans-53-33.8173.5178.7-179-34.200112.8N127N127-Q129 PolarHBondContact O-N 2.81Å
130F90.2Very high93.2Very high53 Ų5362.5 Ų62.523%0.23232%0.321CS..Hα-helixtrans-97.6-32.2179.1-58.1-74.4000112.8I41 F55 N127 M128I41-F130 HydrophobicContact CD1-CB 3.85Å; F55-F130 HydrophobicContact CD1-CD2 4.11Å; F55-F130 HydrophobicContact CD2-CE2 4.32Å; F55-F130 HydrophobicContact CE1-CB 3.78Å; F55-F130 AromaticContact CE1-CD2 3.51Å; F55-F130 HydrophobicContact CE1-CD2 3.51Å; F55-F130 HydrophobicContact CE1-CE2 4.21Å; F55-F130 AromaticContact CE1-CG 3.72Å; F55-F130 HydrophobicContact CE1-CG 3.72Å; F55-F130 HydrophobicContact CE2-CD1 4.42Å; F55-F130 HydrophobicContact CE2-CD2 4.01Å; F55-F130 HydrophobicContact CE2-CE1 4.37Å; F55-F130 AromaticContact CE2-CE2 3.94Å; F55-F130 HydrophobicContact CE2-CE2 3.94Å; F55-F130 HydrophobicContact CE2-CG 4.24Å; F55-F130 HydrophobicContact CE2-CZ 4.13Å; F55-F130 HydrophobicContact CZ-CB 3.83Å; F55-F130 AromaticContact CZ-CD1 3.86Å; F55-F130 HydrophobicContact CZ-CD1 3.86Å; F55-F130 AromaticContact CZ-CD2 3.45Å; F55-F130 HydrophobicContact CZ-CD2 3.45Å; F55-F130 VanDerWaalsContact CZ-CD2 3.45Å; F55-F130 HydrophobicContact CZ-CE1 4.25Å; F55-F130 AromaticContact CZ-CE2 3.89Å; F55-F130 HydrophobicContact CZ-CE2 3.89Å; F55-F130 AromaticContact CZ-CG 3.43Å; F55-F130 HydrophobicContact CZ-CG 3.43Å; F55-F130 VanDerWaalsContact CZ-CG 3.43Å; F55-F130 HydrophobicContact CZ-CZ 4.26Å; N127-F130 HydrophobicContact CB-CD2 4.37Å; N127-F130 PolarHBondContact O-N 2.97Å; M128-F130 PolarHBondContact O-N 2.99Å; M128-F130 VanDerWaalsContact O-N 3.11Å
131Y92.3Very high93.3Very high2 Ų267.3 Ų67.31%0.00834%0.34CS..Hα-helixtrans-97.5-1.3-172.7-72-83.5000115.2D37 I41 F55 I123 H124 N127 M128 M133 T134D37-Y131 WeakPolarHBondContact OD1-CE1 3.45Å; D37-Y131 PolarHBondContact OD1-OH 3.34Å; I41-Y131 HydrophobicContact CD1-CD1 4.21Å; I41-Y131 HydrophobicContact CD1-CD2 4.11Å; I41-Y131 HydrophobicContact CD1-CE1 3.64Å; I41-Y131 HydrophobicContact CD1-CE2 3.56Å; I41-Y131 HydrophobicContact CD1-CG 4.42Å; I41-Y131 WeakPolarHBondContact CD1-OH 3.35Å; I41-Y131 HydrophobicContact CG1-CE1 3.82Å; F55-Y131 HydrophobicContact CD1-CE2 4.14Å; F55-Y131 HydrophobicContact CE1-CD2 4.49Å; F55-Y131 AromaticContact CE1-CE2 3.74Å; F55-Y131 HydrophobicContact CE1-CE2 3.74Å; I123-Y131 HydrophobicContact CG2-CE2 4.44Å; H124-Y131 HydrophobicContact CB-CD1 4.39Å; H124-Y131 HydrophobicContact CB-CG 4.19Å; H124-Y131 AromaticContact CD2-CD1 3.53Å; H124-Y131 AromaticContact CD2-CE1 3.33Å; H124-Y131 WeakPolarHBondContact CD2-CE1 3.43Å; H124-Y131 AromaticContact CD2-CZ 3.6Å; H124-Y131 AromaticContact CE1-CD1 3.93Å; H124-Y131 AromaticContact CE1-CE1 3.9Å; H124-Y131 AromaticContact CG-CD1 3.76Å; H124-Y131 AromaticContact NE2-CD1 3.65Å; H124-Y131 AromaticContact NE2-CE1 3.23Å; H124-Y131 WeakPolarHBondContact NE2-CE1 3.49Å; H124-Y131 AromaticContact NE2-CZ 3.83Å; N127-Y131 HydrophobicContact CB-CD2 3.76Å; N127-Y131 HydrophobicContact CB-CE2 3.93Å; N127-Y131 WeakPolarHBondContact O-CD2 3.29Å; N127-Y131 PolarHBondContact O-N 2.84Å; M128-Y131 PolarHBondContact O-N 2.94Å; Y131-M133 PolarHBondContact O-N 3.41Å; Y131-M133 VanDerWaalsContact O-N 3.09Å; Y131-T134 WeakPolarHBondContact CA-OG1 3.37Å; Y131-T134 WeakPolarHBondContact CB-OG1 3.3Å; Y131-T134 HydrophobicContact CD1-CG2 4.38Å; Y131-T134 VanDerWaalsContact CD1-OG1 3.31Å; Y131-T134 WeakPolarHBondContact CD1-OG1 3.33Å; Y131-T134 WeakPolarHBondContact O-CA 3.35Å; Y131-T134 WeakPolarHBondContact O-CB 3.33Å; Y131-T134 PolarHBondContact O-N 3.06Å; Y131-T134 PolarHBondContact O-OG1 2.93Å
132Y89.5Confident93.5Very high134 Ų13461.9 Ų61.953%0.52531%0.314SS..G310 helixtrans-55.6-32.6-176.678.4-81.9000114.7M128 T134M128-Y132 WeakPolarHBondContact O-CB 3.23Å; M128-Y132 PolarHBondContact O-N 2.95Å; Y132-T134 VanDerWaalsContact C-N 3.27Å; Y132-T134 PolarHBondContact O-N 2.95Å
133M88.4Confident93.7Very high65 Ų6560.5 Ų60.532%0.3231%0.305SS..G310 helixtrans-85.31.8176.9-62.6-170.4-79.300113.6F34 T43 Y131F34-M133 VanDerWaalsContact CD1-O 3.24Å; F34-M133 WeakPolarHBondContact CD1-O 3.22Å; T43-M133 HydrophobicContact CG2-CB 3.97Å; T43-M133 HydrophobicContact CG2-CE 3.91Å; T43-M133 WeakPolarHBondContact OG1-CE 3.24Å; Y131-M133 PolarHBondContact O-N 3.41Å; Y131-M133 VanDerWaalsContact O-N 3.09Å
134T90.5Very high93.9Very high3 Ų364.5 Ų64.52%0.01833%0.326CS..G310 helixtrans-109.74.7-177.870.10000113.2W29 F34 I41 T43 Y131 Y132 G137W29-T134 PolarHBondContact NE1-O 3.29Å; F34-T134 HydrophobicContact CB-CG2 4.35Å; F34-T134 HydrophobicContact CD1-CG2 4.37Å; F34-T134 HydrophobicContact CD2-CG2 3.65Å; F34-T134 VanDerWaalsContact CE1-CA 3.46Å; F34-T134 HydrophobicContact CE2-CG2 3.99Å; F34-T134 HydrophobicContact CG-CG2 3.86Å; F34-T134 VanDerWaalsContact CZ-CA 3.48Å; F34-T134 HydrophobicContact CZ-CG2 4.44Å; F34-T134 VanDerWaalsContact CZ-O 3.23Å; F34-T134 WeakPolarHBondContact CZ-O 3.16Å; I41-T134 HydrophobicContact CG2-CG2 3.99Å; T43-T134 HydrophobicContact CG2-CG2 4.27Å; Y131-T134 WeakPolarHBondContact CA-OG1 3.37Å; Y131-T134 WeakPolarHBondContact CB-OG1 3.3Å; Y131-T134 HydrophobicContact CD1-CG2 4.38Å; Y131-T134 VanDerWaalsContact CD1-OG1 3.31Å; Y131-T134 WeakPolarHBondContact CD1-OG1 3.33Å; Y131-T134 WeakPolarHBondContact O-CA 3.35Å; Y131-T134 WeakPolarHBondContact O-CB 3.33Å; Y131-T134 PolarHBondContact O-N 3.06Å; Y131-T134 PolarHBondContact O-OG1 2.93Å; Y132-T134 VanDerWaalsContact C-N 3.27Å; Y132-T134 PolarHBondContact O-N 2.95Å; T134-G137 PolarHBondContact O-N 2.68Å
135E88.3Confident94Very high132 Ų13265.3 Ų65.362%0.61733%0.331SS*.THydrogen-bonded Turntrans-59.8142.5172.6-69.1-171.5174.400110.9M128 G137M128-E135 WeakPolarHBondContact CE-OE1 3.23Å; E135-G137 PolarHBondContact O-N 2.8Å
136G89Confident94.2Very high86 Ų8658.8 Ų58.889%0.88730%0.3SS*.THydrogen-bonded Turntrans75.88.3-178.700000115
137G94.3Very high94.3Very high14 Ų1458.8 Ų58.814%0.14430%0.298CS..  trans-64.5179.6171.500000114.4W29 V30 T134 E135W29-G137 WeakPolarHBondContact CH2-O 3.18Å; W29-G137 VanDerWaalsContact CZ2-CA 3.45Å; W29-G137 WeakPolarHBondContact CZ2-O 3.41Å; V30-G137 CarbonylContact O-C 3.56Å; V30-G137 VanDerWaalsContact O-CA 3.26Å; V30-G137 WeakPolarHBondContact O-CA 3.37Å; T134-G137 PolarHBondContact O-N 2.68Å; E135-G137 PolarHBondContact O-N 2.8Å
138S96.8Very high94.5Very high68 Ų6861.4 Ų61.448%0.47631%0.314SS..EExtended strand (participates in β ladder)trans-140.8164.5174.463.30000110.9W29 V30 G140W29-S138 VanDerWaalsContact CE3-O 3.28Å; V30-S138 PolarHBondContact N-O 2.99Å; V30-S138 PolarHBondContact O-N 2.73Å; S138-G140 PolarHBondContact O-N 2.93Å; S138-G140 VanDerWaalsContact O-N 3.16Å
139Y97.6Very high94.8Very high77 Ų7757.5 Ų57.530%0.30230%0.295SS..EExtended strand (participates in β ladder)trans-58.7120.5174.1-72.2-72.7000110.4W29 Y116 R120 Y143W29-Y139 HydrophobicContact CZ3-CG 4.47Å; Y116-Y139 HydrophobicContact CD1-CE1 4.11Å; Y116-Y139 AromaticContact CE1-CD1 3.93Å; Y116-Y139 HydrophobicContact CE1-CD1 3.93Å; Y116-Y139 AromaticContact CE1-CE1 3.69Å; Y116-Y139 HydrophobicContact CE1-CE1 3.69Å; R120-Y139 PolarHBondContact NH1-OH 2.89Å; Y139-Y143 AromaticContact CD1-CD1 3.47Å; Y139-Y143 HydrophobicContact CD1-CD1 3.47Å; Y139-Y143 VanDerWaalsContact CD1-CD1 3.47Å; Y139-Y143 AromaticContact CD1-CD2 3.91Å; Y139-Y143 HydrophobicContact CD1-CD2 3.91Å; Y139-Y143 AromaticContact CD1-CE1 3.52Å; Y139-Y143 HydrophobicContact CD1-CE1 3.52Å; Y139-Y143 AromaticContact CD1-CE2 3.95Å; Y139-Y143 HydrophobicContact CD1-CE2 3.95Å; Y139-Y143 AromaticContact CD1-CG 3.65Å; Y139-Y143 HydrophobicContact CD1-CG 3.65Å; Y139-Y143 AromaticContact CD1-CZ 3.74Å; Y139-Y143 HydrophobicContact CD2-CE1 4.32Å; Y139-Y143 HydrophobicContact CE1-CD1 4.28Å; Y139-Y143 HydrophobicContact CE1-CD2 4.17Å; Y139-Y143 AromaticContact CE1-CE1 3.96Å; Y139-Y143 HydrophobicContact CE1-CE1 3.96Å; Y139-Y143 AromaticContact CE1-CE2 3.84Å; Y139-Y143 HydrophobicContact CE1-CE2 3.84Å; Y139-Y143 HydrophobicContact CE1-CG 4.36Å; Y139-Y143 AromaticContact CE1-CZ 3.69Å; Y139-Y143 AromaticContact CG-CD1 3.72Å; Y139-Y143 HydrophobicContact CG-CD1 3.72Å; Y139-Y143 AromaticContact CG-CE1 3.72Å; Y139-Y143 HydrophobicContact CG-CE1 3.72Å; Y139-Y143 HydrophobicContact CG-CG 4.32Å
140G97.8Very high95.2Very high3 Ų352.1 Ų52.13%0.03127%0.269CS..  trans-82.7174.4-178.500000113.4A27 W28 S138 S142 Y143 I144A27-G140 CarbonylContact O-C 3.44Å; A27-G140 WeakPolarHBondContact O-CA 3.26Å; W28-G140 PolarHBondContact O-N 3.11Å; S138-G140 PolarHBondContact O-N 2.93Å; S138-G140 VanDerWaalsContact O-N 3.16Å; G140-S142 VanDerWaalsContact C-N 3.31Å; G140-S142 PolarHBondContact O-N 3.24Å; G140-Y143 WeakPolarHBondContact O-CB 3.4Å; G140-Y143 PolarHBondContact O-N 3.17Å; G140-I144 PolarHBondContact O-N 3.41Å
141Y97.8Very high95.6Very high122 Ų12251.8 Ų51.848%0.47828%0.276SS..Hα-helixtrans-64.7-33-173.573.1-93.2000112.8I21 D25 A27 Y143 I144 L145I21-Y141 HydrophobicContact CG2-CE2 3.87Å; D25-Y141 PolarHBondContact OD2-OH 3.36Å; A27-Y141 HydrophobicContact CB-CD1 3.77Å; A27-Y141 HydrophobicContact CB-CE1 3.39Å; A27-Y141 PolarHBondContact O-N 3.01Å; Y141-Y143 VanDerWaalsContact C-N 3.29Å; Y141-Y143 PolarHBondContact O-N 3.49Å; Y141-I144 PolarHBondContact O-N 2.64Å; Y141-I144 VanDerWaalsContact O-N 3.14Å; Y141-L145 HydrophobicContact CD2-CD1 3.95Å; Y141-L145 HydrophobicContact CD2-CG 4.43Å; Y141-L145 HydrophobicContact CE2-CD1 4.4Å; Y141-L145 WeakPolarHBondContact O-CB 3.36Å; Y141-L145 VanDerWaalsContact O-CG 3.28Å; Y141-L145 WeakPolarHBondContact O-CG 3.38Å; Y141-L145 PolarHBondContact O-N 3.48Å
142S98.2Very high95.9Very high0 Ų052.7 Ų52.70%028%0.283CS..Hα-helixtrans-63.7-36.5179-67.70000111.9A22 D25 A27 G140 L145 A146A22-S142 WeakPolarHBondContact CB-O 3.21Å; D25-S142 PolarHBondContact O-OG 3.08Å; A27-S142 WeakPolarHBondContact O-CB 3.34Å; A27-S142 PolarHBondContact O-N 2.86Å; A27-S142 VanDerWaalsContact O-N 3.09Å; G140-S142 VanDerWaalsContact C-N 3.31Å; G140-S142 PolarHBondContact O-N 3.24Å; S142-L145 PolarHBondContact O-N 2.77Å; S142-A146 PolarHBondContact O-N 3.15Å
143Y98.4Very high96.3Very high20 Ų2046.3 Ų46.38%0.07826%0.258CS..Hα-helixtrans-64.5-44.8172.3169.3-94.4000111.6W28 Y116 T117 Y139 G140 Y141 L145 A146 W147W28-Y143 AromaticContact CE3-CD2 3.89Å; W28-Y143 HydrophobicContact CE3-CD2 3.89Å; W28-Y143 HydrophobicContact CZ3-CD2 4.1Å; Y116-Y143 AromaticContact CD1-CD2 3.58Å; Y116-Y143 HydrophobicContact CD1-CD2 3.58Å; Y116-Y143 AromaticContact CD1-CE2 3.75Å; Y116-Y143 HydrophobicContact CD1-CE2 3.75Å; Y116-Y143 AromaticContact CE1-CD2 3.83Å; Y116-Y143 HydrophobicContact CE1-CD2 3.83Å; Y116-Y143 HydrophobicContact CE1-CE2 4.27Å; T117-Y143 WeakPolarHBondContact OG1-CE2 3.38Å; T117-Y143 PolarHBondContact OG1-OH 3.47Å; Y139-Y143 AromaticContact CD1-CD1 3.47Å; Y139-Y143 HydrophobicContact CD1-CD1 3.47Å; Y139-Y143 VanDerWaalsContact CD1-CD1 3.47Å; Y139-Y143 AromaticContact CD1-CD2 3.91Å; Y139-Y143 HydrophobicContact CD1-CD2 3.91Å; Y139-Y143 AromaticContact CD1-CE1 3.52Å; Y139-Y143 HydrophobicContact CD1-CE1 3.52Å; Y139-Y143 AromaticContact CD1-CE2 3.95Å; Y139-Y143 HydrophobicContact CD1-CE2 3.95Å; Y139-Y143 AromaticContact CD1-CG 3.65Å; Y139-Y143 HydrophobicContact CD1-CG 3.65Å; Y139-Y143 AromaticContact CD1-CZ 3.74Å; Y139-Y143 HydrophobicContact CD2-CE1 4.32Å; Y139-Y143 HydrophobicContact CE1-CD1 4.28Å; Y139-Y143 HydrophobicContact CE1-CD2 4.17Å; Y139-Y143 AromaticContact CE1-CE1 3.96Å; Y139-Y143 HydrophobicContact CE1-CE1 3.96Å; Y139-Y143 AromaticContact CE1-CE2 3.84Å; Y139-Y143 HydrophobicContact CE1-CE2 3.84Å; Y139-Y143 HydrophobicContact CE1-CG 4.36Å; Y139-Y143 AromaticContact CE1-CZ 3.69Å; Y139-Y143 AromaticContact CG-CD1 3.72Å; Y139-Y143 HydrophobicContact CG-CD1 3.72Å; Y139-Y143 AromaticContact CG-CE1 3.72Å; Y139-Y143 HydrophobicContact CG-CE1 3.72Å; Y139-Y143 HydrophobicContact CG-CG 4.32Å; G140-Y143 WeakPolarHBondContact O-CB 3.4Å; G140-Y143 PolarHBondContact O-N 3.17Å; Y141-Y143 VanDerWaalsContact C-N 3.29Å; Y141-Y143 PolarHBondContact O-N 3.49Å; Y143-L145 VanDerWaalsContact C-N 3.32Å; Y143-L145 PolarHBondContact O-N 2.88Å; Y143-A146 WeakPolarHBondContact O-CB 3.36Å; Y143-A146 PolarHBondContact O-N 3.45Å; Y143-A146 VanDerWaalsContact O-N 3.16Å; Y143-W147 AromaticContact CE1-CD1 3.7Å; Y143-W147 AromaticContact CE1-NE1 3.68Å; Y143-W147 AromaticContact CE2-NE1 3.62Å; Y143-W147 AromaticContact CZ-CD1 3.65Å; Y143-W147 AromaticContact CZ-NE1 3.15Å; Y143-W147 PolarHBondContact O-N 3.24Å; Y143-W147 PolarHBondContact OH-NE1 2.97Å
144I98.4Very high96.8Very high87 Ų8747.9 Ų47.945%0.44626%0.263SS..Hα-helixtrans-62.2-42.1176.2-58.7-60.5000110.9G140 Y141 A146 W147 V148G140-I144 PolarHBondContact O-N 3.41Å; Y141-I144 PolarHBondContact O-N 2.64Å; Y141-I144 VanDerWaalsContact O-N 3.14Å; I144-A146 VanDerWaalsContact C-N 3.25Å; I144-A146 PolarHBondContact O-N 2.73Å; I144-W147 PolarHBondContact O-N 3.47Å; I144-W147 VanDerWaalsContact O-N 3.14Å; I144-V148 HydrophobicContact CG2-CG2 4.45Å; I144-V148 WeakPolarHBondContact O-CG2 3.19Å; I144-V148 PolarHBondContact O-N 3.02Å
145L98.5Very high97.1Very high38 Ų3851.5 Ų51.520%0.19929%0.285CS..Hα-helixtrans-63.4-30.3176.7-69.4-172.2000112.3L18 I21 A22 Y141 S142 Y143 V148 A149L18-L145 HydrophobicContact CD2-CD1 4.39Å; L18-L145 HydrophobicContact CD2-CD2 3.89Å; I21-L145 HydrophobicContact CB-CD1 4.03Å; I21-L145 HydrophobicContact CD1-CD1 4.49Å; I21-L145 HydrophobicContact CG2-CD1 3.52Å; A22-L145 HydrophobicContact CB-CB 4.19Å; Y141-L145 HydrophobicContact CD2-CD1 3.95Å; Y141-L145 HydrophobicContact CD2-CG 4.43Å; Y141-L145 HydrophobicContact CE2-CD1 4.4Å; Y141-L145 WeakPolarHBondContact O-CB 3.36Å; Y141-L145 VanDerWaalsContact O-CG 3.28Å; Y141-L145 WeakPolarHBondContact O-CG 3.38Å; Y141-L145 PolarHBondContact O-N 3.48Å; S142-L145 PolarHBondContact O-N 2.77Å; Y143-L145 VanDerWaalsContact C-N 3.32Å; Y143-L145 PolarHBondContact O-N 2.88Å; L145-V148 PolarHBondContact O-N 2.94Å; L145-A149 WeakPolarHBondContact O-CB 3.4Å; L145-A149 PolarHBondContact O-N 2.67Å
146A98.6Very high97.5Very high0 Ų045.2 Ų45.20%026%0.256CS..Hα-helixtrans-62-4517200000111.5A22 W28 M68 V109 S142 Y143 I144 A149 F150A22-A146 HydrophobicContact CB-CB 4.11Å; W28-A146 HydrophobicContact CH2-CB 4.13Å; W28-A146 HydrophobicContact CZ2-CB 3.97Å; M68-A146 HydrophobicContact CE-CB 4.39Å; V109-A146 HydrophobicContact CG1-CB 4.29Å; V109-A146 WeakPolarHBondContact CG1-O 3.25Å; S142-A146 PolarHBondContact O-N 3.15Å; Y143-A146 WeakPolarHBondContact O-CB 3.36Å; Y143-A146 PolarHBondContact O-N 3.45Å; Y143-A146 VanDerWaalsContact O-N 3.16Å; I144-A146 VanDerWaalsContact C-N 3.25Å; I144-A146 PolarHBondContact O-N 2.73Å; A146-A149 PolarHBondContact O-N 2.81Å; A146-F150 PolarHBondContact O-N 3.09Å
147W98.7Very high97.9Very high80 Ų8041.1 Ų41.130%0.30321%0.213SC..Hα-helixtrans-66.7-38.3175.7-77.1116.3000113.4M110 A113 Y143 I144 F150 A151M110-W147 HydrophobicContact CG-CZ3 4.45Å; A113-W147 HydrophobicContact CB-CD2 4.11Å; A113-W147 HydrophobicContact CB-CH2 4.15Å; A113-W147 HydrophobicContact CB-CZ2 3.68Å; Y143-W147 AromaticContact CE1-CD1 3.7Å; Y143-W147 AromaticContact CE1-NE1 3.68Å; Y143-W147 AromaticContact CE2-NE1 3.62Å; Y143-W147 AromaticContact CZ-CD1 3.65Å; Y143-W147 AromaticContact CZ-NE1 3.15Å; Y143-W147 PolarHBondContact O-N 3.24Å; Y143-W147 PolarHBondContact OH-NE1 2.97Å; I144-W147 PolarHBondContact O-N 3.47Å; I144-W147 VanDerWaalsContact O-N 3.14Å; W147-F150 HydrophobicContact CE3-CB 4.46Å; W147-F150 AromaticContact CE3-CD1 3.82Å; W147-F150 HydrophobicContact CE3-CD1 3.82Å; W147-F150 HydrophobicContact CE3-CG 4.33Å; W147-F150 HydrophobicContact CZ3-CD1 4.14Å; W147-F150 WeakPolarHBondContact O-CB 3.06Å; W147-F150 PolarHBondContact O-N 3.21Å; W147-A151 PolarHBondContact O-N 3.18Å; W147-A151 VanDerWaalsContact O-N 3.1Å
148V98.6Very high98Very high63 Ų6344 Ų4438%0.38222%0.224SC..Hα-helixtrans-64.3-43.8173.3179.10000110.2L18 I144 L145 F150 A151 C152L18-V148 HydrophobicContact CD1-CB 4.44Å; L18-V148 HydrophobicContact CD1-CG1 3.72Å; I144-V148 HydrophobicContact CG2-CG2 4.45Å; I144-V148 WeakPolarHBondContact O-CG2 3.19Å; I144-V148 PolarHBondContact O-N 3.02Å; L145-V148 PolarHBondContact O-N 2.94Å; V148-F150 VanDerWaalsContact C-N 3.33Å; V148-F150 PolarHBondContact O-N 2.95Å; V148-A151 PolarHBondContact O-N 2.04Å; V148-C152 PolarHBondContact O-N 3.49Å; V148-C152 PolarHBondContact O-SG 2.88Å; V148-C152 VanDerWaalsContact O-SG 3.32Å
149A98.5Very high97.9Very high0 Ų042.6 Ų42.60%021%0.21CC..Hα-helixtrans-63-38176.400000112L18 L19 L145 A146 C152 T153L18-A149 HydrophobicContact CB-CB 3.98Å; L19-A149 HydrophobicContact CD2-CB 3.58Å; L19-A149 HydrophobicContact CG-CB 3.94Å; L145-A149 WeakPolarHBondContact O-CB 3.4Å; L145-A149 PolarHBondContact O-N 2.67Å; A146-A149 PolarHBondContact O-N 2.81Å; A149-C152 PolarHBondContact O-N 2.93Å; A149-T153 VanDerWaalsContact O-CB 3.31Å; A149-T153 WeakPolarHBondContact O-CB 3.06Å; A149-T153 WeakPolarHBondContact O-CG2 3.17Å; A149-T153 PolarHBondContact O-N 3.03Å; A149-T153 PolarHBondContact O-OG1 2.86Å
150F98.6Very high97.8Very high47 Ų4739 Ų3921%0.20620%0.196CC..Hα-helixtrans-55.3-52.9170154.4-106.8000111C106 V109 M110 A146 W147 V148 C152 T153 F154C106-F150 WeakPolarHBondContact SG-CD2 3.38Å; C106-F150 WeakPolarHBondContact SG-CE2 3.45Å; V109-F150 HydrophobicContact CB-CB 4.37Å; V109-F150 HydrophobicContact CG1-CB 3.99Å; M110-F150 HydrophobicContact CB-CD2 4.01Å; M110-F150 HydrophobicContact CB-CE2 4.34Å; M110-F150 HydrophobicContact CE-CD2 3.92Å; M110-F150 HydrophobicContact CE-CE2 3.11Å; M110-F150 HydrophobicContact CE-CZ 3.54Å; A146-F150 PolarHBondContact O-N 3.09Å; W147-F150 HydrophobicContact CE3-CB 4.46Å; W147-F150 AromaticContact CE3-CD1 3.82Å; W147-F150 HydrophobicContact CE3-CD1 3.82Å; W147-F150 HydrophobicContact CE3-CG 4.33Å; W147-F150 HydrophobicContact CZ3-CD1 4.14Å; W147-F150 WeakPolarHBondContact O-CB 3.06Å; W147-F150 PolarHBondContact O-N 3.21Å; V148-F150 VanDerWaalsContact C-N 3.33Å; V148-F150 PolarHBondContact O-N 2.95Å; F150-C152 PolarHBondContact O-N 2.8Å; F150-T153 PolarHBondContact O-N 2.85Å; F150-T153 PolarHBondContact O-OG1 3.2Å; F150-F154 HydrophobicContact CE2-CB 4.43Å; F150-F154 WeakPolarHBondContact O-CB 3.06Å; F150-F154 PolarHBondContact O-N 3.27Å
151A98.6Very high97.6Very high46 Ų4641.3 Ų41.338%0.3821%0.208SC..Hα-helixtrans-61.7-44.4179.900000111.9W147 V148 F154 V155W147-A151 PolarHBondContact O-N 3.18Å; W147-A151 VanDerWaalsContact O-N 3.1Å; V148-A151 PolarHBondContact O-N 2.04Å; A151-F154 PolarHBondContact O-N 3.25Å; A151-V155 VanDerWaalsContact O-CG2 3.3Å; A151-V155 WeakPolarHBondContact O-CG2 3.44Å; A151-V155 PolarHBondContact O-N 2.85Å
152C98.3Very high97.3Very high21 Ų2141.2 Ų41.214%0.14221%0.214CC..Hα-helixtrans-63.5-44.2178.4-68.80000112.4F11 S15 V148 A149 F150 V155 S156F11-C152 VanDerWaalsContact CE1-O 3.32Å; F11-C152 WeakPolarHBondContact CE1-O 3.49Å; F11-C152 HydrophobicContact CZ-CB 4.01Å; S15-C152 WeakPolarHBondContact OG-CB 3.36Å; V148-C152 PolarHBondContact O-N 3.49Å; V148-C152 PolarHBondContact O-SG 2.88Å; V148-C152 VanDerWaalsContact O-SG 3.32Å; A149-C152 PolarHBondContact O-N 2.93Å; F150-C152 PolarHBondContact O-N 2.8Å; C152-V155 PolarHBondContact O-N 3Å; C152-S156 WeakPolarHBondContact O-CB 3.48Å; C152-S156 PolarHBondContact O-N 3.32Å
153T98.3Very high96.9Very high0 Ų043 Ų430%022%0.223CC..Hα-helixtrans-67.6-37.1178.754.30000111.9L19 C106 A149 F150 S156 G157L19-T153 HydrophobicContact CD1-CG2 4.04Å; C106-T153 WeakPolarHBondContact CA-OG1 3.31Å; C106-T153 WeakPolarHBondContact CB-OG1 3.41Å; A149-T153 VanDerWaalsContact O-CB 3.31Å; A149-T153 WeakPolarHBondContact O-CB 3.06Å; A149-T153 WeakPolarHBondContact O-CG2 3.17Å; A149-T153 PolarHBondContact O-N 3.03Å; A149-T153 PolarHBondContact O-OG1 2.86Å; F150-T153 PolarHBondContact O-N 2.85Å; F150-T153 PolarHBondContact O-OG1 3.2Å; T153-S156 PolarHBondContact O-N 2.79Å; T153-G157 PolarHBondContact O-N 3.24Å
154F98.5Very high96.5Very high99 Ų9949.1 Ų49.143%0.43425%0.246SC..Hα-helixtrans-61-53.2172.4-178.9-108.8000111.9L103 F150 A151 S156 G157 M158L103-F154 HydrophobicContact CD2-CD2 4.07Å; L103-F154 HydrophobicContact CD2-CE2 4.48Å; F150-F154 HydrophobicContact CE2-CB 4.43Å; F150-F154 WeakPolarHBondContact O-CB 3.06Å; F150-F154 PolarHBondContact O-N 3.27Å; A151-F154 PolarHBondContact O-N 3.25Å; F154-S156 VanDerWaalsContact C-N 3.3Å; F154-S156 PolarHBondContact O-N 2.83Å; F154-G157 PolarHBondContact O-N 3.08Å; F154-M158 HydrophobicContact CD1-CG 4.48Å; F154-M158 HydrophobicContact CD2-CG 4.45Å; F154-M158 HydrophobicContact CE1-CG 4.1Å; F154-M158 HydrophobicContact CE2-CG 4.05Å; F154-M158 HydrophobicContact CE2-SD 4.36Å; F154-M158 HydrophobicContact CZ-CG 3.87Å; F154-M158 HydrophobicContact CZ-SD 4.35Å; F154-M158 WeakPolarHBondContact O-CG 3.18Å; F154-M158 PolarHBondContact O-N 2.9Å
155V98.1Very high95.9Very high79 Ų7947.4 Ų47.448%0.47924%0.236SC..Hα-helixtrans-59.3-43.7178.7171.20000110.6F11 A151 C152 M158 M159F11-V155 HydrophobicContact CE1-CB 4.28Å; F11-V155 HydrophobicContact CE1-CG1 4.08Å; F11-V155 HydrophobicContact CZ-CB 4.23Å; F11-V155 HydrophobicContact CZ-CG1 4.07Å; A151-V155 VanDerWaalsContact O-CG2 3.3Å; A151-V155 WeakPolarHBondContact O-CG2 3.44Å; A151-V155 PolarHBondContact O-N 2.85Å; C152-V155 PolarHBondContact O-N 3Å; V155-M158 PolarHBondContact O-N 3.25Å; V155-M159 VanDerWaalsContact O-CB 3.24Å; V155-M159 WeakPolarHBondContact O-CB 3.34Å; V155-M159 PolarHBondContact O-N 2.94Å
156S96.2Very high95Very high0 Ų054.9 Ų54.90%026%0.261CS..Hα-helixtrans-60.6-47.9176.3-176.70000111.6C152 T153 F154 M158 M159 Y160C152-S156 WeakPolarHBondContact O-CB 3.48Å; C152-S156 PolarHBondContact O-N 3.32Å; T153-S156 PolarHBondContact O-N 2.79Å; F154-S156 VanDerWaalsContact C-N 3.3Å; F154-S156 PolarHBondContact O-N 2.83Å; S156-M158 PolarHBondContact O-N 2.93Å; S156-M159 WeakPolarHBondContact O-CB 3.22Å; S156-M159 PolarHBondContact O-N 3.23Å; S156-Y160 WeakPolarHBondContact O-CD2 3.44Å; S156-Y160 PolarHBondContact O-N 3.32Å; S156-Y160 WeakPolarHBondContact OG-CE2 3.48Å
157G96.9Very high93.3Very high0 Ų064.9 Ų64.90%031%0.305CS..Hα-helixtrans-58.1-47.7176.900000112.4S99 T153 F154 Y160 L161S99-G157 WeakPolarHBondContact CB-O 3.41Å; S99-G157 PolarHBondContact OG-O 3.45Å; T153-G157 PolarHBondContact O-N 3.24Å; F154-G157 PolarHBondContact O-N 3.08Å; G157-Y160 PolarHBondContact O-N 2.83Å; G157-L161 PolarHBondContact O-N 2.85Å
158M97.6Very high93.1Very high73 Ų7364.1 Ų64.136%0.3631%0.305SS..Hα-helixtrans-63.3-41.7176.6-70-56.6-62.900112.3F154 V155 S156 Y160 L161 I162F154-M158 HydrophobicContact CD1-CG 4.48Å; F154-M158 HydrophobicContact CD2-CG 4.45Å; F154-M158 HydrophobicContact CE1-CG 4.1Å; F154-M158 HydrophobicContact CE2-CG 4.05Å; F154-M158 HydrophobicContact CE2-SD 4.36Å; F154-M158 HydrophobicContact CZ-CG 3.87Å; F154-M158 HydrophobicContact CZ-SD 4.35Å; F154-M158 WeakPolarHBondContact O-CG 3.18Å; F154-M158 PolarHBondContact O-N 2.9Å; V155-M158 PolarHBondContact O-N 3.25Å; S156-M158 PolarHBondContact O-N 2.93Å; M158-Y160 VanDerWaalsContact C-N 3.34Å; M158-Y160 PolarHBondContact O-N 3.08Å; M158-L161 HydrophobicContact CE-CD1 4.5Å; M158-L161 WeakPolarHBondContact O-CB 3.17Å; M158-L161 PolarHBondContact O-N 3.01Å; M158-L161 VanDerWaalsContact O-N 3.16Å; M158-L161 HydrophobicContact SD-CD1 4.09Å; M158-I162 WeakPolarHBondContact O-CG1 3.14Å; M158-I162 PolarHBondContact O-N 3.11Å
159M94.9Very high92.8Very high40 Ų4064.2 Ų64.220%0.19730%0.301CS..Hα-helixtrans-58.8-44.3176.6178.8-171.169.100111.3I8 V155 S156 L161 I162 L163I8-M159 HydrophobicContact CB-CE 4.02Å; I8-M159 HydrophobicContact CG1-CE 3.71Å; I8-M159 HydrophobicContact CG1-SD 3.71Å; I8-M159 HydrophobicContact CG2-CE 3.54Å; V155-M159 VanDerWaalsContact O-CB 3.24Å; V155-M159 WeakPolarHBondContact O-CB 3.34Å; V155-M159 PolarHBondContact O-N 2.94Å; S156-M159 WeakPolarHBondContact O-CB 3.22Å; S156-M159 PolarHBondContact O-N 3.23Å; M159-L161 VanDerWaalsContact C-N 3.28Å; M159-L161 PolarHBondContact O-N 3.36Å; M159-I162 PolarHBondContact O-N 3.45Å; M159-I162 VanDerWaalsContact O-N 3.12Å; M159-L163 HydrophobicContact CE-CD1 4.35Å; M159-L163 HydrophobicContact CG-CD1 3.62Å; M159-L163 HydrophobicContact CG-CG 4.03Å; M159-L163 WeakPolarHBondContact O-CB 3.32Å; M159-L163 VanDerWaalsContact O-CG 3.27Å; M159-L163 WeakPolarHBondContact O-CG 3.21Å; M159-L163 PolarHBondContact O-N 3.49Å; M159-L163 HydrophobicContact SD-CD1 4.22Å
160Y94.6Very high92.4Very high0 Ų067.7 Ų67.70%032%0.317CS..Hα-helixtrans-63.7-27.4177.3-69.6-53.1000114.1I8 H12 F82 F95 T98 S156 G157 M158I8-Y160 HydrophobicContact CG2-CE1 3.61Å; H12-Y160 AromaticContact CE1-CE2 3.9Å; H12-Y160 AromaticContact ND1-CE2 3.37Å; H12-Y160 WeakPolarHBondContact ND1-CE2 3.49Å; H12-Y160 AromaticContact ND1-CZ 3.51Å; H12-Y160 PolarHBondContact ND1-OH 3.38Å; F82-Y160 HydrophobicContact CD1-CE1 4.32Å; F82-Y160 AromaticContact CD2-CD1 3.91Å; F82-Y160 HydrophobicContact CD2-CD1 3.91Å; F82-Y160 AromaticContact CD2-CE1 3.37Å; F82-Y160 HydrophobicContact CD2-CE1 3.37Å; F82-Y160 HydrophobicContact CE1-CE1 4.39Å; F82-Y160 HydrophobicContact CE2-CD1 4.04Å; F82-Y160 AromaticContact CE2-CE1 3.47Å; F82-Y160 HydrophobicContact CE2-CE1 3.47Å; F82-Y160 VanDerWaalsContact CE2-CE1 3.47Å; F82-Y160 AromaticContact CG-CE1 3.83Å; F82-Y160 HydrophobicContact CG-CE1 3.83Å; F82-Y160 AromaticContact CZ-CE1 3.99Å; F82-Y160 HydrophobicContact CZ-CE1 3.99Å; F95-Y160 HydrophobicContact CB-CD1 4.21Å; F95-Y160 PolarHBondContact N-O 3.25Å; T98-Y160 HydrophobicContact CG2-CD1 3.96Å; T98-Y160 HydrophobicContact CG2-CD2 3.44Å; T98-Y160 VanDerWaalsContact CG2-CD2 3.44Å; T98-Y160 HydrophobicContact CG2-CE1 4.1Å; T98-Y160 HydrophobicContact CG2-CE2 3.57Å; T98-Y160 HydrophobicContact CG2-CG 3.64Å; S156-Y160 WeakPolarHBondContact O-CD2 3.44Å; S156-Y160 PolarHBondContact O-N 3.32Å; S156-Y160 WeakPolarHBondContact OG-CE2 3.48Å; G157-Y160 PolarHBondContact O-N 2.83Å; M158-Y160 VanDerWaalsContact C-N 3.34Å; M158-Y160 PolarHBondContact O-N 3.08Å
161L93.1Very high92.1Very high53 Ų5368.9 Ų68.928%0.27732%0.324SS..Hα-helixtrans-69-37.6172.3-66.1174.4000112.5R94 S99 L103 G157 M158 M159R94-L161 VanDerWaalsContact CD-O 3.23Å; R94-L161 WeakPolarHBondContact CD-O 3.36Å; R94-L161 PolarHBondContact NE-O 2.86Å; S99-L161 VanDerWaalsContact CB-CD2 3.43Å; S99-L161 WeakPolarHBondContact OG-CD2 3.48Å; S99-L161 WeakPolarHBondContact OG-CG 3.34Å; L103-L161 HydrophobicContact CD1-CD1 4.27Å; G157-L161 PolarHBondContact O-N 2.85Å; M158-L161 HydrophobicContact CE-CD1 4.5Å; M158-L161 WeakPolarHBondContact O-CB 3.17Å; M158-L161 PolarHBondContact O-N 3.01Å; M158-L161 VanDerWaalsContact O-N 3.16Å; M158-L161 HydrophobicContact SD-CD1 4.09Å; M159-L161 VanDerWaalsContact C-N 3.28Å; M159-L161 PolarHBondContact O-N 3.36Å
162I92Very high91.7Very high120 Ų12070.4 Ų70.462%0.61532%0.32SS*.Hα-helixtrans-83.4-39.5-172.1-61.7168.7000110.3M158 M159M158-I162 WeakPolarHBondContact O-CG1 3.14Å; M158-I162 PolarHBondContact O-N 3.11Å; M159-I162 PolarHBondContact O-N 3.45Å; M159-I162 VanDerWaalsContact O-N 3.12Å
163L90.6Very high91.2Very high37 Ų3773.7 Ų73.719%0.19433%0.332CS..  trans-60.5137.5-178.2-73.1173.4000112.1L4 I8 R94 F95 M159L4-L163 HydrophobicContact CD2-CD2 4.35Å; I8-L163 HydrophobicContact CD1-CD1 3.36Å; I8-L163 HydrophobicContact CD1-CD2 4.39Å; I8-L163 HydrophobicContact CG1-CD1 4.09Å; R94-L163 WeakPolarHBondContact CA-O 3.34Å; F95-L163 HydrophobicContact CD2-CB 4.08Å; F95-L163 HydrophobicContact CE2-CB 4.38Å; M159-L163 HydrophobicContact CE-CD1 4.35Å; M159-L163 HydrophobicContact CG-CD1 3.62Å; M159-L163 HydrophobicContact CG-CG 4.03Å; M159-L163 WeakPolarHBondContact O-CB 3.32Å; M159-L163 VanDerWaalsContact O-CG 3.27Å; M159-L163 WeakPolarHBondContact O-CG 3.21Å; M159-L163 PolarHBondContact O-N 3.49Å; M159-L163 HydrophobicContact SD-CD1 4.22Å
164R89.3Confident90.7Very high148 Ų14878.9 Ų78.956%0.55836%0.356SS*.BIsolated β-bridgetrans-118.7141173.2-65.1-176.2-175.9-168-1.3109.5E93 R94 R166E93-R164 CarbonylContact O-C 3.57Å; E93-R164 WeakPolarHBondContact O-CA 3.38Å; R94-R164 HydrophobicContact CG-CG 3.76Å; R164-R166 PolarHBondContact O-N 3.09Å; R164-R166 VanDerWaalsContact O-N 3.14Å
165K84.6Confident90.2Very high52 Ų5277.4 Ų77.423%0.22635%0.35CS..  trans-62.2116.1172.3-176.7168.2174.7174.10109.3L86 L89 G92 E93 F95L86-K165 WeakPolarHBondContact O-CE 3.49Å; L86-K165 PolarHBondContact O-NZ 3.46Å; L89-K165 HydrophobicContact CB-CD 3.88Å; L89-K165 VanDerWaalsContact O-CD 3.26Å; L89-K165 WeakPolarHBondContact O-CD 3.31Å; L89-K165 WeakPolarHBondContact O-CE 3.29Å; L89-K165 PolarHBondContact O-NZ 3.01Å; G92-K165 PolarHBondContact N-O 2.58Å; E93-K165 PolarHBondContact O-N 3.1Å; F95-K165 HydrophobicContact CZ-CB 4.43Å
166R81.4Confident89.5Confident194 Ų19477.3 Ų77.373%0.73234%0.339SS*.  trans-91.4168.3173.4-65.2-171.6-178.8-1701.3110M1 R164M1-R166 HydrophobicContact SD-CB 3.86Å; R164-R166 PolarHBondContact O-N 3.09Å; R164-R166 VanDerWaalsContact O-N 3.14Å
167K62.7Low88.9Confident210 Ų21084.3 Ų84.391%0.91337%0.37SS*.  trans-62.70177.2-132164.2-155.9-167.30110.1M1 Q91M1-K167 WeakPolarHBondContact CE-O 3.47Å; M1-K167 VanDerWaalsContact SD-O 3.33Å; Q91-K167 VanDerWaalsContact CD-CG 3.5Å; Q91-K167 VanDerWaalsContact NE2-CG 3.29Å; Q91-K167 VanDerWaalsContact OE1-CE 3.25Å; Q91-K167 VanDerWaalsContact OE1-CG 3.31Å

Retrieved 167 of 167 residues in 275.7 ms (Link to these results)

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