A0A060YCL3_ONCMY Loading...

Epithelial membrane protein 1

AlphaFold DB , UniProt , Accession A0A060YCL3, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110538329, Length 161 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
1M76.4Confident90.2Very high113 Ų11375.1 Ų75.156%0.55743%0.426SS*.  0-50.90-170.3165.173.300111.6V3 L4 L5 K158 A160M1-V3 PolarHBondContact O-N 3.18Å; M1-L4 PolarHBondContact O-N 3.13Å; M1-L5 HydrophobicContact CG-CD1 4.07Å; M1-L5 WeakPolarHBondContact O-CD1 3.34Å; M1-L5 PolarHBondContact O-N 3.47Å; M1-K158 HydrophobicContact SD-CB 3.65Å; M1-A160 HydrophobicContact CE-CB 4.19Å
2L80.9Confident90.9Very high141 Ų14168.8 Ų68.874%0.73839%0.39SS*.Hα-helixtrans-58.6-43.4-179.4-67.7168.6000114.1L4 L5 A6L2-L4 VanDerWaalsContact C-N 3.31Å; L2-L4 PolarHBondContact O-N 3.28Å; L2-L5 PolarHBondContact O-N 2.98Å; L2-A6 WeakPolarHBondContact O-CB 3.18Å; L2-A6 PolarHBondContact O-N 3.07Å
3V86.9Confident91.4Very high128 Ų12868.2 Ų68.278%0.77639%0.385SS*.Hα-helixtrans-58.7-41.8177.9179.60000112.2M1 A6 G7M1-V3 PolarHBondContact O-N 3.18Å; V3-A6 PolarHBondContact O-N 3.18Å; V3-G7 PolarHBondContact O-N 3.26Å
4L88Confident92Very high98 Ų9867.4 Ų67.451%0.51338%0.382SS..Hα-helixtrans-65.2-45.7177.5-176.871.7000111.1M1 L2 A6 G7 I8 L155M1-L4 PolarHBondContact O-N 3.13Å; L2-L4 VanDerWaalsContact C-N 3.31Å; L2-L4 PolarHBondContact O-N 3.28Å; L4-A6 VanDerWaalsContact C-N 3.33Å; L4-A6 PolarHBondContact O-N 3.42Å; L4-G7 PolarHBondContact O-N 2.85Å; L4-I8 HydrophobicContact CG-CD1 4.14Å; L4-I8 VanDerWaalsContact O-CG1 3.27Å; L4-I8 WeakPolarHBondContact O-CG1 3.44Å; L4-I8 PolarHBondContact O-N 3.4Å; L4-L155 HydrophobicContact CD2-CD1 3.59Å
5L88.7Confident92.4Very high40 Ų4062.9 Ų62.921%0.20936%0.357CS..Hα-helixtrans-61.8-41.6176.6-93.867.1000111.7M1 L2 I8 F9 L88M1-L5 HydrophobicContact CG-CD1 4.07Å; M1-L5 WeakPolarHBondContact O-CD1 3.34Å; M1-L5 PolarHBondContact O-N 3.47Å; L2-L5 PolarHBondContact O-N 2.98Å; L5-I8 PolarHBondContact O-N 3.16Å; L5-F9 WeakPolarHBondContact O-CB 3.31Å; L5-F9 PolarHBondContact O-N 3.42Å; L5-L88 HydrophobicContact CD2-CD2 3.45Å; L5-L88 VanDerWaalsContact CD2-CD2 3.45Å; L5-L88 HydrophobicContact CG-CD2 4.16Å
6A91Very high92.8Very high50 Ų5059.9 Ų59.941%0.41334%0.339SS..Hα-helixtrans-62.4-43.8175.200000111.3L2 V3 L4 I8 F9 L10L2-A6 WeakPolarHBondContact O-CB 3.18Å; L2-A6 PolarHBondContact O-N 3.07Å; V3-A6 PolarHBondContact O-N 3.18Å; L4-A6 VanDerWaalsContact C-N 3.33Å; L4-A6 PolarHBondContact O-N 3.42Å; A6-I8 VanDerWaalsContact C-N 3.33Å; A6-I8 PolarHBondContact O-N 3.08Å; A6-F9 PolarHBondContact O-N 3.36Å; A6-L10 WeakPolarHBondContact O-CB 3.45Å; A6-L10 VanDerWaalsContact O-CG 3.28Å; A6-L10 WeakPolarHBondContact O-CG 3.42Å; A6-L10 PolarHBondContact O-N 2.89Å
7G94.7Very high93.1Very high39 Ų3961.5 Ų61.540%0.40235%0.345SS..Hα-helixtrans-59.9-40.9175.300000113V3 L4 L10 L11V3-G7 PolarHBondContact O-N 3.26Å; L4-G7 PolarHBondContact O-N 2.85Å; G7-L10 PolarHBondContact O-N 3.28Å; G7-L11 WeakPolarHBondContact O-CB 3.5Å; G7-L11 PolarHBondContact O-N 2.98Å
8I94.4Very high93.4Very high6 Ų659.7 Ų59.73%0.03134%0.335CS..Hα-helixtrans-68.1-42.7177-65167.3000111.2L4 L5 A6 L11 H12 F84 I151 Y152 L155L4-I8 HydrophobicContact CG-CD1 4.14Å; L4-I8 VanDerWaalsContact O-CG1 3.27Å; L4-I8 WeakPolarHBondContact O-CG1 3.44Å; L4-I8 PolarHBondContact O-N 3.4Å; L5-I8 PolarHBondContact O-N 3.16Å; A6-I8 VanDerWaalsContact C-N 3.33Å; A6-I8 PolarHBondContact O-N 3.08Å; I8-L11 PolarHBondContact O-N 2.89Å; I8-H12 WeakPolarHBondContact O-CB 3.39Å; I8-H12 PolarHBondContact O-N 3.43Å; I8-F84 HydrophobicContact CG2-CZ 4.25Å; I8-I151 HydrophobicContact CD1-CG2 3.54Å; I8-I151 HydrophobicContact CG1-CG2 3.79Å; I8-I151 HydrophobicContact CG2-CG2 4.48Å; I8-Y152 HydrophobicContact CG2-CD1 4.3Å; I8-Y152 HydrophobicContact CG2-CE1 3.47Å; I8-Y152 VanDerWaalsContact CG2-CE1 3.47Å; I8-L155 HydrophobicContact CD1-CD2 3.48Å; I8-L155 VanDerWaalsContact CD1-CD2 3.48Å
9F95.7Very high93.7Very high73 Ų7356.6 Ų56.632%0.3232%0.317SS..Hα-helixtrans-59.2-47.7175.1179.4-93000111.2L5 A6 H12 L13 L81 F84 V85L5-F9 WeakPolarHBondContact O-CB 3.31Å; L5-F9 PolarHBondContact O-N 3.42Å; A6-F9 PolarHBondContact O-N 3.36Å; F9-H12 PolarHBondContact O-N 2.89Å; F9-L13 HydrophobicContact CE1-CD2 4.07Å; F9-L13 WeakPolarHBondContact O-CB 3.4Å; F9-L13 PolarHBondContact O-N 2.8Å; F9-L81 HydrophobicContact CD2-CD1 3.73Å; F9-L81 HydrophobicContact CE2-CD1 3.71Å; F9-L81 HydrophobicContact CE2-CD2 4.32Å; F9-L81 HydrophobicContact CE2-CG 4.3Å; F9-F84 HydrophobicContact CB-CE1 4.13Å; F9-F84 HydrophobicContact CD2-CD1 4.38Å; F9-F84 HydrophobicContact CD2-CE1 4.22Å; F9-V85 HydrophobicContact CE2-CG2 4.19Å
10L97.6Very high93.9Very high100 Ų10057.4 Ų57.452%0.52432%0.32SS..Hα-helixtrans-63.8-44.5178.4-70.3173.8000111.6A6 G7 H12 L13 T14A6-L10 WeakPolarHBondContact O-CB 3.45Å; A6-L10 VanDerWaalsContact O-CG 3.28Å; A6-L10 WeakPolarHBondContact O-CG 3.42Å; A6-L10 PolarHBondContact O-N 2.89Å; G7-L10 PolarHBondContact O-N 3.28Å; L10-H12 VanDerWaalsContact C-N 3.32Å; L10-H12 PolarHBondContact O-N 3.47Å; L10-L13 PolarHBondContact O-N 3.41Å; L10-T14 WeakPolarHBondContact O-CB 3.15Å; L10-T14 PolarHBondContact O-N 3.38Å; L10-T14 PolarHBondContact O-OG1 3.44Å
11L97.9Very high94.2Very high38 Ų3857.1 Ų57.120%0.19932%0.32CS..Hα-helixtrans-57.1-45.9175.8176.564.8000111.6G7 I8 G15 F144 I147 I151G7-L11 WeakPolarHBondContact O-CB 3.5Å; G7-L11 PolarHBondContact O-N 2.98Å; I8-L11 PolarHBondContact O-N 2.89Å; L11-G15 PolarHBondContact O-N 3.4Å; L11-F144 HydrophobicContact CD1-CB 4.4Å; L11-F144 HydrophobicContact CD1-CD2 3.72Å; L11-F144 HydrophobicContact CD1-CE2 4.16Å; L11-F144 HydrophobicContact CD1-CG 4.09Å; L11-I147 HydrophobicContact CD2-CG2 4.15Å; L11-I151 HydrophobicContact CD2-CD1 3.81Å
12H98.2Very high95.2Very high0 Ų051.8 Ų51.80%029%0.294CS..Hα-helixtrans-64.1-48.7177.9-163.1151.2000111.1I8 F9 L10 T14 G15 I16 S77 L81 Q104 Y152I8-H12 WeakPolarHBondContact O-CB 3.39Å; I8-H12 PolarHBondContact O-N 3.43Å; F9-H12 PolarHBondContact O-N 2.89Å; L10-H12 VanDerWaalsContact C-N 3.32Å; L10-H12 PolarHBondContact O-N 3.47Å; H12-T14 VanDerWaalsContact C-N 3.33Å; H12-T14 PolarHBondContact O-N 2.92Å; H12-G15 WeakPolarHBondContact O-CA 3.44Å; H12-G15 PolarHBondContact O-N 2.91Å; H12-I16 PolarHBondContact O-N 3.43Å; H12-S77 PolarHBondContact NE2-O 3Å; H12-S77 PolarHBondContact NE2-OG 3.39Å; H12-L81 HydrophobicContact CB-CD1 4.1Å; H12-L81 PolarHBondContact CE1-N 3.33Å; H12-L81 PolarHBondContact NE2-N 3.41Å; H12-Q104 PolarHBondContact CE1-OE1 3.02Å; H12-Q104 PolarHBondContact NE2-OE1 3.26Å; H12-Y152 AromaticContact CE1-CE2 3.86Å; H12-Y152 AromaticContact ND1-CE2 3.38Å; H12-Y152 WeakPolarHBondContact ND1-CE2 3.49Å; H12-Y152 AromaticContact ND1-CZ 3.5Å; H12-Y152 PolarHBondContact ND1-OH 2.73Å
13L98.4Very high96Very high61 Ų6145.4 Ų45.432%0.31926%0.261SS..Hα-helixtrans-59.4-43.5178.9-178.961.8000111.9F9 L10 G15 I16 I17 L81F9-L13 HydrophobicContact CE1-CD2 4.07Å; F9-L13 WeakPolarHBondContact O-CB 3.4Å; F9-L13 PolarHBondContact O-N 2.8Å; L10-L13 PolarHBondContact O-N 3.41Å; L13-G15 VanDerWaalsContact C-N 3.32Å; L13-G15 PolarHBondContact O-N 2.96Å; L13-I16 PolarHBondContact O-N 3.47Å; L13-I17 HydrophobicContact CG-CD1 4.23Å; L13-I17 WeakPolarHBondContact O-CG1 3.35Å; L13-I17 PolarHBondContact O-N 2.83Å; L13-L81 HydrophobicContact CD1-CD2 4.33Å
14T98.6Very high96.5Very high57 Ų5744.9 Ų44.935%0.3525%0.252SS..Hα-helixtrans-59.7-44.5173.3-60.90000110.8L10 H12 I16 I17 L18 F144L10-T14 WeakPolarHBondContact O-CB 3.15Å; L10-T14 PolarHBondContact O-N 3.38Å; L10-T14 PolarHBondContact O-OG1 3.44Å; H12-T14 VanDerWaalsContact C-N 3.33Å; H12-T14 PolarHBondContact O-N 2.92Å; T14-I16 VanDerWaalsContact C-N 3.3Å; T14-I16 PolarHBondContact O-N 3.21Å; T14-I17 PolarHBondContact O-N 3.35Å; T14-L18 HydrophobicContact CG2-CD1 4.02Å; T14-L18 HydrophobicContact CG2-CG 4.15Å; T14-L18 VanDerWaalsContact O-CG 3.29Å; T14-L18 WeakPolarHBondContact O-CG 3.24Å; T14-L18 PolarHBondContact O-N 3.44Å; T14-F144 HydrophobicContact CG2-CD2 4.05Å; T14-F144 HydrophobicContact CG2-CE2 3.76Å
15G98.4Very high97Very high0 Ų043 Ų430%024%0.243CC..Hα-helixtrans-54.3-43.7174.200000113.1L11 H12 L13 L18 L19L11-G15 PolarHBondContact O-N 3.4Å; H12-G15 WeakPolarHBondContact O-CA 3.44Å; H12-G15 PolarHBondContact O-N 2.91Å; L13-G15 VanDerWaalsContact C-N 3.32Å; L13-G15 PolarHBondContact O-N 2.96Å; G15-L18 PolarHBondContact O-N 3.05Å; G15-L19 WeakPolarHBondContact O-CB 3.27Å; G15-L19 VanDerWaalsContact O-CG 3.26Å; G15-L19 WeakPolarHBondContact O-CG 3.46Å; G15-L19 PolarHBondContact O-N 2.92Å
16I98.7Very high97.3Very high14 Ų1443.4 Ų43.47%0.07225%0.245CC..Hα-helixtrans-63.6-46.7176.6-67.2164.6000111.2H12 L13 T14 L18 L19 L20 S77 L81H12-I16 PolarHBondContact O-N 3.43Å; L13-I16 PolarHBondContact O-N 3.47Å; T14-I16 VanDerWaalsContact C-N 3.3Å; T14-I16 PolarHBondContact O-N 3.21Å; I16-L18 VanDerWaalsContact C-N 3.32Å; I16-L18 PolarHBondContact O-N 3.5Å; I16-L19 PolarHBondContact O-N 2.86Å; I16-L20 HydrophobicContact CG2-CD1 3.89Å; I16-L20 HydrophobicContact CG2-CG 4.38Å; I16-L20 WeakPolarHBondContact O-CG 3.27Å; I16-L20 PolarHBondContact O-N 3.19Å; I16-S77 VanDerWaalsContact CG1-OG 3.29Å; I16-S77 WeakPolarHBondContact CG1-OG 3.36Å; I16-L81 HydrophobicContact CD1-CB 3.8Å; I16-L81 HydrophobicContact CD1-CD2 3.65Å; I16-L81 HydrophobicContact CD1-CG 4.32Å
17I98.7Very high97.6Very high87 Ų8741 Ų4145%0.44623%0.226SC..Hα-helixtrans-60.1-45.9179.3-67.1167.3000110.1L13 T14 L19 L20 V21L13-I17 HydrophobicContact CG-CD1 4.23Å; L13-I17 WeakPolarHBondContact O-CG1 3.35Å; L13-I17 PolarHBondContact O-N 2.83Å; T14-I17 PolarHBondContact O-N 3.35Å; I17-L19 PolarHBondContact O-N 3.42Å; I17-L20 PolarHBondContact O-N 3.29Å; I17-V21 HydrophobicContact CG2-CG2 4.35Å; I17-V21 VanDerWaalsContact O-CG2 3.31Å; I17-V21 WeakPolarHBondContact O-CG2 3.25Å; I17-V21 PolarHBondContact O-N 3.38Å
18L98.6Very high97.7Very high30 Ų3039.2 Ų39.216%0.15721%0.207CC..Hα-helixtrans-64.5-40179.2-64-179.9000112T14 G15 I16 V21 A22 L137 I140 S141 F144T14-L18 HydrophobicContact CG2-CD1 4.02Å; T14-L18 HydrophobicContact CG2-CG 4.15Å; T14-L18 VanDerWaalsContact O-CG 3.29Å; T14-L18 WeakPolarHBondContact O-CG 3.24Å; T14-L18 PolarHBondContact O-N 3.44Å; G15-L18 PolarHBondContact O-N 3.05Å; I16-L18 VanDerWaalsContact C-N 3.32Å; I16-L18 PolarHBondContact O-N 3.5Å; L18-V21 PolarHBondContact O-N 2.99Å; L18-A22 WeakPolarHBondContact O-CB 3.46Å; L18-A22 PolarHBondContact O-N 2.93Å; L18-L137 HydrophobicContact CD2-CD2 3.7Å; L18-I140 HydrophobicContact CD1-CG2 3.73Å; L18-S141 VanDerWaalsContact C-OG 3.29Å; L18-S141 WeakPolarHBondContact CB-OG 3.38Å; L18-F144 HydrophobicContact CD1-CD2 4.12Å; L18-F144 HydrophobicContact CD1-CE2 4.21Å
19L98.7Very high97.8Very high0 Ų039.4 Ų39.40%021%0.207CC..Hα-helixtrans-61.5-42.8174.3-76.5170.5000111.8G15 I16 I17 T23 A73 I111 S141 T145G15-L19 WeakPolarHBondContact O-CB 3.27Å; G15-L19 VanDerWaalsContact O-CG 3.26Å; G15-L19 WeakPolarHBondContact O-CG 3.46Å; G15-L19 PolarHBondContact O-N 2.92Å; I16-L19 PolarHBondContact O-N 2.86Å; I17-L19 PolarHBondContact O-N 3.42Å; L19-T23 VanDerWaalsContact O-CB 3.32Å; L19-T23 WeakPolarHBondContact O-CB 3.29Å; L19-T23 PolarHBondContact O-N 3.18Å; L19-T23 PolarHBondContact O-OG1 3.31Å; L19-A73 HydrophobicContact CD1-CB 4.44Å; L19-A73 HydrophobicContact CD2-CB 3.92Å; L19-I111 HydrophobicContact CD2-CB 3.76Å; L19-I111 HydrophobicContact CD2-CD1 3.91Å; L19-I111 HydrophobicContact CD2-CG1 3.64Å; L19-I111 HydrophobicContact CD2-CG2 4.1Å; L19-S141 PolarHBondContact N-OG 2.93Å; L19-T145 HydrophobicContact CD1-CG2 4.02Å
20L98.5Very high97.8Very high72 Ų7237.6 Ų37.638%0.37720%0.2SC..Hα-helixtrans-65.9-46.6178.2-72.6170.3000111.5I16 I17 T23 I24 C74I16-L20 HydrophobicContact CG2-CD1 3.89Å; I16-L20 HydrophobicContact CG2-CG 4.38Å; I16-L20 WeakPolarHBondContact O-CG 3.27Å; I16-L20 PolarHBondContact O-N 3.19Å; I17-L20 PolarHBondContact O-N 3.29Å; L20-T23 PolarHBondContact O-N 3.23Å; L20-T23 VanDerWaalsContact O-N 3.16Å; L20-I24 HydrophobicContact CD2-CD1 4.4Å; L20-I24 WeakPolarHBondContact O-CB 3.4Å; L20-I24 WeakPolarHBondContact O-CG1 3.43Å; L20-I24 PolarHBondContact O-N 2.89Å; L20-C74 HydrophobicContact CD2-CB 4.25Å
21V98.5Very high97.7Very high53 Ų5334.1 Ų34.132%0.32118%0.183SC..Hα-helixtrans-62.3-46.9176.7175.80000110.2I17 L18 T23 I24 D25 L137I17-V21 HydrophobicContact CG2-CG2 4.35Å; I17-V21 VanDerWaalsContact O-CG2 3.31Å; I17-V21 WeakPolarHBondContact O-CG2 3.25Å; I17-V21 PolarHBondContact O-N 3.38Å; L18-V21 PolarHBondContact O-N 2.99Å; V21-T23 PolarHBondContact O-N 2.74Å; V21-I24 PolarHBondContact O-N 2.74Å; V21-D25 HydrophobicContact CG1-CB 4.12Å; V21-D25 VanDerWaalsContact O-CB 3.22Å; V21-D25 WeakPolarHBondContact O-CB 3.17Å; V21-D25 PolarHBondContact O-N 2.97Å; V21-L137 HydrophobicContact CB-CD1 4.14Å; V21-L137 HydrophobicContact CG1-CD1 3.5Å; V21-L137 VanDerWaalsContact CG1-CD1 3.5Å
22A98.4Very high97.5Very high0 Ų041.1 Ų41.10%021%0.212CC..Hα-helixtrans-57-39.6174.900000111.1L18 W28 S134 L137 A138L18-A22 WeakPolarHBondContact O-CB 3.46Å; L18-A22 PolarHBondContact O-N 2.93Å; A22-W28 PolarHBondContact O-NE1 3.44Å; A22-S134 WeakPolarHBondContact CB-O 3.31Å; A22-L137 HydrophobicContact CB-CB 4.15Å; A22-A138 HydrophobicContact CB-CB 4.13Å
23T98Very high97.4Very high8 Ų845.6 Ų45.65%0.04924%0.235CC..Hα-helixtrans-77.3-32.9-177.2-56.50000113.3L19 L20 V21 W39 C74L19-T23 VanDerWaalsContact O-CB 3.32Å; L19-T23 WeakPolarHBondContact O-CB 3.29Å; L19-T23 PolarHBondContact O-N 3.18Å; L19-T23 PolarHBondContact O-OG1 3.31Å; L20-T23 PolarHBondContact O-N 3.23Å; L20-T23 VanDerWaalsContact O-N 3.16Å; V21-T23 PolarHBondContact O-N 2.74Å; T23-W39 HydrophobicContact CG2-CZ2 3.88Å; T23-W39 PolarHBondContact O-NE1 2.95Å; T23-C74 PolarHBondContact OG1-SG 3.2Å
24I97.8Very high97.2Very high116 Ų11643.7 Ų43.760%0.59523%0.225SC*.Hα-helixtrans-102.6-31.7-168.1-62.9168.2000112.7L20 V21L20-I24 HydrophobicContact CD2-CD1 4.4Å; L20-I24 WeakPolarHBondContact O-CB 3.4Å; L20-I24 WeakPolarHBondContact O-CG1 3.43Å; L20-I24 PolarHBondContact O-N 2.89Å; V21-I24 PolarHBondContact O-N 2.74Å
25D96.9Very high97.1Very high59 Ų5941.1 Ų41.132%0.31621%0.21SC..SBendtrans-83.8145.5-170.6-162.821000112.6V21 A27 D37 H133 S134V21-D25 HydrophobicContact CG1-CB 4.12Å; V21-D25 VanDerWaalsContact O-CB 3.22Å; V21-D25 WeakPolarHBondContact O-CB 3.17Å; V21-D25 PolarHBondContact O-N 2.97Å; D25-A27 PolarHBondContact O-N 3.01Å; D25-D37 WeakPolarHBondContact O-CB 3.3Å; D25-H133 IonicContact OD2-CD2 3.6Å; D25-H133 IonicContact OD2-CE1 3.67Å; D25-H133 IonicContact OD2-NE2 2.68Å; D25-H133 PolarHBondContact OD2-NE2 2.89Å; D25-S134 PolarHBondContact O-OG 3.35Å
26N95.7Very high97Very high48 Ų4841.1 Ų41.126%0.25721%0.21SC..SBendtrans-80.824.6-155.269.6-19.2000116.2S35 T36 D37 W42N26-S35 CarbonylContact O-C 3.07Å; N26-S35 PolarHBondContact O-OG 2.99Å; N26-T36 CarbonylContact O-C 3.59Å; N26-T36 PolarHBondContact O-N 2.83Å; N26-D37 WeakPolarHBondContact CA-OD2 3.38Å; N26-W42 HydrophobicContact CB-CD2 4.16Å; N26-W42 HydrophobicContact CB-CE3 3.69Å; N26-W42 HydrophobicContact CB-CH2 3.92Å; N26-W42 HydrophobicContact CB-CZ2 4.36Å; N26-W42 HydrophobicContact CB-CZ3 3.57Å
27A97Very high96.8Very high1 Ų140.7 Ų40.71%0.00821%0.208CC..  trans-135.755.5-162.900000114.4D25 M30 G132 H133 S134D25-A27 PolarHBondContact O-N 3.01Å; A27-M30 HydrophobicContact CB-CG 4.43Å; A27-M30 HydrophobicContact CB-SD 3.71Å; A27-G132 CarbonylContact O-C 3.48Å; A27-G132 WeakPolarHBondContact O-CA 3.37Å; A27-H133 WeakPolarHBondContact CB-CE1 3.29Å; A27-H133 WeakPolarHBondContact CB-ND1 3.37Å; A27-H133 PolarHBondContact O-N 2.86Å; A27-S134 PolarHBondContact N-OG 2.73Å; A27-S134 WeakPolarHBondContact O-CB 3.45Å; A27-S134 PolarHBondContact O-N 3.28Å
28W97.2Very high96.7Very high0 Ų036.6 Ų36.60%019%0.187CC..SBendtrans-77.9-42.5165.5-80.757.3000111.8A22 T36 V38 V66 A114 Y118 Y131 G132 F135 A138A22-W28 PolarHBondContact O-NE1 3.44Å; W28-T36 WeakPolarHBondContact CA-O 3.49Å; W28-T36 WeakPolarHBondContact CB-O 3.39Å; W28-T36 PolarHBondContact N-O 2.87Å; W28-V38 HydrophobicContact CD2-CG1 3.49Å; W28-V38 VanDerWaalsContact CD2-CG1 3.49Å; W28-V38 VanDerWaalsContact CE2-CG1 3.43Å; W28-V38 HydrophobicContact CE3-CG1 3.76Å; W28-V38 HydrophobicContact CG-CG1 4.02Å; W28-V38 HydrophobicContact CH2-CG1 3.96Å; W28-V38 HydrophobicContact CZ2-CG1 3.69Å; W28-V38 HydrophobicContact CZ3-CG1 3.98Å; W28-V66 HydrophobicContact CH2-CG1 4.24Å; W28-V66 HydrophobicContact CZ3-CG1 4.13Å; W28-A114 HydrophobicContact CH2-CB 4.44Å; W28-Y118 HydrophobicContact CB-CE1 4.01Å; W28-Y118 HydrophobicContact CB-CE2 4.33Å; W28-Y118 WeakPolarHBondContact CB-OH 3.44Å; W28-Y118 AromaticContact CE3-CD1 3.67Å; W28-Y118 HydrophobicContact CE3-CD1 3.67Å; W28-Y118 AromaticContact CE3-CD2 3.6Å; W28-Y118 HydrophobicContact CE3-CD2 3.6Å; W28-Y118 AromaticContact CE3-CE1 3.97Å; W28-Y118 HydrophobicContact CE3-CE1 3.97Å; W28-Y118 AromaticContact CE3-CE2 3.9Å; W28-Y118 HydrophobicContact CE3-CE2 3.9Å; W28-Y118 AromaticContact CE3-CG 3.46Å; W28-Y118 HydrophobicContact CE3-CG 3.46Å; W28-Y118 VanDerWaalsContact CE3-CG 3.46Å; W28-Y118 HydrophobicContact CZ3-CD1 4.26Å; W28-Y118 AromaticContact CZ3-CD2 3.98Å; W28-Y118 HydrophobicContact CZ3-CD2 3.98Å; W28-Y118 AromaticContact CZ3-CG 3.72Å; W28-Y118 HydrophobicContact CZ3-CG 3.72Å; W28-Y131 WeakPolarHBondContact O-CA 3.42Å; W28-G132 PolarHBondContact O-N 3.03Å; W28-F135 HydrophobicContact CB-CB 4.41Å; W28-F135 HydrophobicContact CD2-CB 4.46Å; W28-F135 AromaticContact CE3-CD2 3.84Å; W28-F135 HydrophobicContact CE3-CD2 3.84Å; W28-F135 HydrophobicContact CG-CB 4.47Å; W28-F135 HydrophobicContact CZ3-CD2 4.16Å; W28-F135 WeakPolarHBondContact O-CB 3.11Å; W28-A138 HydrophobicContact CH2-CB 4.3Å; W28-A138 HydrophobicContact CZ2-CB 4.31Å
29W96.6Very high96.7Very high11 Ų1139.7 Ų39.74%0.04220%0.196CC..EExtended strand (participates in β ladder)trans-132.1138.5175.2-178.4-100.7000111.2T36 Y118 H123 E126 G129 Y131W29-T36 PolarHBondContact N-O 3Å; W29-T36 PolarHBondContact O-N 3.28Å; W29-Y118 HydrophobicContact CB-CE1 4.5Å; W29-Y118 WeakPolarHBondContact CB-OH 3.44Å; W29-H123 VanDerWaalsContact CB-NE2 3.34Å; W29-H123 WeakPolarHBondContact CB-NE2 3.28Å; W29-H123 AromaticContact CD1-CE1 3.08Å; W29-H123 AromaticContact CD1-CG 3.85Å; W29-H123 AromaticContact CD1-ND1 3.28Å; W29-H123 VanDerWaalsContact CD1-ND1 3.28Å; W29-H123 AromaticContact CD1-NE2 3.61Å; W29-H123 HydrophobicContact CD2-CB 3.68Å; W29-H123 AromaticContact CD2-CD2 3.7Å; W29-H123 AromaticContact CD2-CE1 3.95Å; W29-H123 AromaticContact CD2-CG 3.38Å; W29-H123 AromaticContact CD2-ND1 3.59Å; W29-H123 AromaticContact CE2-CG 3.56Å; W29-H123 AromaticContact CE2-ND1 3.41Å; W29-H123 HydrophobicContact CE3-CB 3.65Å; W29-H123 AromaticContact CE3-CG 3.8Å; W29-H123 HydrophobicContact CG-CB 4.38Å; W29-H123 AromaticContact CG-CD2 3.5Å; W29-H123 VanDerWaalsContact CG-CD2 3.5Å; W29-H123 AromaticContact CG-CE1 3.34Å; W29-H123 AromaticContact CG-CG 3.56Å; W29-H123 AromaticContact CG-ND1 3.5Å; W29-H123 AromaticContact CG-NE2 3.39Å; W29-H123 HydrophobicContact CH2-CB 3.74Å; W29-H123 HydrophobicContact CZ2-CB 3.74Å; W29-H123 HydrophobicContact CZ3-CB 3.69Å; W29-H123 AromaticContact NE1-CE1 3.48Å; W29-H123 PolarHBondContact NE1-CE1 3.32Å; W29-H123 AromaticContact NE1-CG 3.79Å; W29-H123 AromaticContact NE1-ND1 3.16Å; W29-H123 PolarHBondContact NE1-ND1 2.82Å; W29-H123 VanDerWaalsContact NE1-ND1 3.16Å; W29-E126 HydrophobicContact CZ2-CB 3.86Å; W29-E126 PolarHBondContact NE1-OE2 3.32Å; W29-G129 VanDerWaalsContact CH2-C 3.45Å; W29-G129 VanDerWaalsContact CZ2-C 3.4Å; W29-Y131 AromaticContact CE3-CD1 3.98Å; W29-Y131 HydrophobicContact CE3-CD1 3.98Å; W29-Y131 HydrophobicContact CE3-CE1 4.05Å; W29-Y131 HydrophobicContact CE3-CG 4.29Å; W29-Y131 HydrophobicContact CZ3-CD1 4.32Å; W29-Y131 HydrophobicContact CZ3-CD2 4.28Å; W29-Y131 HydrophobicContact CZ3-CE1 4.2Å; W29-Y131 HydrophobicContact CZ3-CE2 4.17Å; W29-Y131 HydrophobicContact CZ3-CG 4.34Å
30M96.3Very high96.6Very high34 Ų3440.3 Ų40.317%0.16720%0.202CC..EExtended strand (participates in β ladder)trans-133.2145.8-173.3-58.2-63.2-65.500111A27 V34 S35 G129 W130A27-M30 HydrophobicContact CB-CG 4.43Å; A27-M30 HydrophobicContact CB-SD 3.71Å; M30-V34 CarbonylContact C-O 3.48Å; M30-V34 WeakPolarHBondContact CA-O 3.35Å; M30-S35 VanDerWaalsContact CE-OG 3.29Å; M30-S35 WeakPolarHBondContact CE-OG 3.4Å; M30-S35 VanDerWaalsContact SD-CA 3.57Å; M30-S35 VanDerWaalsContact SD-CB 3.59Å; M30-S35 PolarHBondContact SD-OG 3.42Å; M30-G129 CarbonylContact O-C 3.43Å; M30-G129 WeakPolarHBondContact O-CA 3.46Å; M30-W130 HydrophobicContact CB-CD2 4.09Å; M30-W130 HydrophobicContact CB-CG 4.44Å; M30-W130 HydrophobicContact CB-CH2 4.49Å; M30-W130 HydrophobicContact CB-CZ2 3.77Å; M30-W130 PolarHBondContact N-O 2.97Å; M30-W130 PolarHBondContact O-N 2.94Å
31T95.4Very high96.4Very high27 Ų2738.7 Ų38.717%0.16619%0.191CC..  trans-128.2-177158.2800000108.2I33 V34 D128T31-I33 PolarHBondContact O-N 2.95Å; T31-I33 VanDerWaalsContact O-N 3.13Å; T31-I33 PolarHBondContact OG1-N 3.16Å; T31-V34 HydrophobicContact CG2-CB 4.22Å; T31-V34 PolarHBondContact N-O 3.39Å; T31-V34 WeakPolarHBondContact OG1-CB 3.44Å; T31-V34 PolarHBondContact OG1-N 3.46Å; T31-D128 WeakPolarHBondContact CB-O 3.33Å; T31-D128 VanDerWaalsContact CG2-O 3.27Å; T31-D128 WeakPolarHBondContact CG2-O 3.36Å
32K93.6Very high96.3Very high185 Ų18539 Ų3980%0.80419%0.186SC*.SBendtrans-60.7-21.9175-65.7-176.9-178.3176.30113.6W130K32-W130 HydrophobicContact CG-CH2 4.44Å
33I95.1Very high96.2Very high95 Ų9541.6 Ų41.649%0.48720%0.2SC..SBendtrans-1310.5-174.360.2168.5000113.3T31 I43 L44T31-I33 PolarHBondContact O-N 2.95Å; T31-I33 VanDerWaalsContact O-N 3.13Å; T31-I33 PolarHBondContact OG1-N 3.16Å; I33-I43 CarbonylContact O-C 3.55Å; I33-I43 WeakPolarHBondContact O-CA 3.33Å; I33-L44 HydrophobicContact CB-CB 4.27Å; I33-L44 PolarHBondContact O-N 3Å
34V95.1Very high96.2Very high20 Ų2043.8 Ų43.812%0.12121%0.21CC..EExtended strand (participates in β ladder)trans-129139.7-179.5178.20000110M30 T31 T36 R41 W42 I43M30-V34 CarbonylContact C-O 3.48Å; M30-V34 WeakPolarHBondContact CA-O 3.35Å; T31-V34 HydrophobicContact CG2-CB 4.22Å; T31-V34 PolarHBondContact N-O 3.39Å; T31-V34 WeakPolarHBondContact OG1-CB 3.44Å; T31-V34 PolarHBondContact OG1-N 3.46Å; V34-T36 WeakPolarHBondContact CG1-OG1 3.44Å; V34-R41 HydrophobicContact CG1-CG 3.78Å; V34-W42 CarbonylContact C-O 3.6Å; V34-W42 WeakPolarHBondContact CA-O 3.42Å; V34-I43 HydrophobicContact CG2-CG1 4.47Å
35S96.5Very high96Very high4 Ų441.9 Ų41.93%0.02821%0.205CC..EExtended strand (participates in β ladder)trans-131.4122170-167.60000107.6N26 M30 R41 W42N26-S35 CarbonylContact O-C 3.07Å; N26-S35 PolarHBondContact O-OG 2.99Å; M30-S35 VanDerWaalsContact CE-OG 3.29Å; M30-S35 WeakPolarHBondContact CE-OG 3.4Å; M30-S35 VanDerWaalsContact SD-CA 3.57Å; M30-S35 VanDerWaalsContact SD-CB 3.59Å; M30-S35 PolarHBondContact SD-OG 3.42Å; S35-R41 CarbonylContact O-C 3.59Å; S35-W42 PolarHBondContact N-O 3.35Å; S35-W42 PolarHBondContact O-N 3.37Å
36T95.6Very high95.9Very high0 Ų047 Ų470%023%0.232CC..EExtended strand (participates in β ladder)trans-127.1130.6-176-57.20000109.3N26 W28 W29 V34 R41 L54N26-T36 CarbonylContact O-C 3.59Å; N26-T36 PolarHBondContact O-N 2.83Å; W28-T36 WeakPolarHBondContact CA-O 3.49Å; W28-T36 WeakPolarHBondContact CB-O 3.39Å; W28-T36 PolarHBondContact N-O 2.87Å; W29-T36 PolarHBondContact N-O 3Å; W29-T36 PolarHBondContact O-N 3.28Å; V34-T36 WeakPolarHBondContact CG1-OG1 3.44Å; T36-R41 HydrophobicContact CG2-CB 4.43Å; T36-R41 WeakPolarHBondContact OG1-CG 3.37Å; T36-R41 PolarHBondContact OG1-NE 2.88Å; T36-L54 HydrophobicContact CG2-CD2 3.49Å; T36-L54 VanDerWaalsContact CG2-CD2 3.49Å
37D95.4Very high95.7Very high5 Ų547.9 Ų47.93%0.02725%0.253CS..  trans-106-162164.558.732.4000111.1D25 N26 W39 A40 W42D25-D37 WeakPolarHBondContact O-CB 3.3Å; N26-D37 WeakPolarHBondContact CA-OD2 3.38Å; D37-W39 VanDerWaalsContact C-N 3.27Å; D37-W39 WeakPolarHBondContact OD1-CA 3.35Å; D37-W39 WeakPolarHBondContact OD1-CB 3.26Å; D37-W39 PolarHBondContact OD1-N 3.34Å; D37-A40 PolarHBondContact N-O 3.28Å; D37-A40 VanDerWaalsContact N-O 3.1Å; D37-A40 PolarHBondContact OD1-N 2.74Å; D37-A40 VanDerWaalsContact OD1-O 3.13Å; D37-W42 WeakPolarHBondContact OD2-CH2 3.39Å; D37-W42 VanDerWaalsContact OD2-CZ3 3.23Å; D37-W42 WeakPolarHBondContact OD2-CZ3 3.3Å
38V96.5Very high95.6Very high0 Ų052.5 Ų52.50%028%0.281CS..SBendtrans-82.1-2.5178.9-61.60000113W28 V66 Q67W28-V38 HydrophobicContact CD2-CG1 3.49Å; W28-V38 VanDerWaalsContact CD2-CG1 3.49Å; W28-V38 VanDerWaalsContact CE2-CG1 3.43Å; W28-V38 HydrophobicContact CE3-CG1 3.76Å; W28-V38 HydrophobicContact CG-CG1 4.02Å; W28-V38 HydrophobicContact CH2-CG1 3.96Å; W28-V38 HydrophobicContact CZ2-CG1 3.69Å; W28-V38 HydrophobicContact CZ3-CG1 3.98Å; V38-V66 HydrophobicContact CB-CG1 4.39Å; V38-V66 HydrophobicContact CG1-CG1 3.68Å; V38-Q67 HydrophobicContact CB-CG 4.34Å; V38-Q67 VanDerWaalsContact O-CG 3.29Å; V38-Q67 WeakPolarHBondContact O-CG 3.27Å; V38-Q67 PolarHBondContact O-NE2 3.14Å
39W97.4Very high95.5Very high95 Ų9558.3 Ų58.336%0.3630%0.303SS..SBendtrans-117.5-40.7-175.7-50.3111.1000113.6T23 D37 Q67 I71T23-W39 HydrophobicContact CG2-CZ2 3.88Å; T23-W39 PolarHBondContact O-NE1 2.95Å; D37-W39 VanDerWaalsContact C-N 3.27Å; D37-W39 WeakPolarHBondContact OD1-CA 3.35Å; D37-W39 WeakPolarHBondContact OD1-CB 3.26Å; D37-W39 PolarHBondContact OD1-N 3.34Å; W39-Q67 HydrophobicContact CE3-CG 3.9Å; W39-Q67 HydrophobicContact CH2-CB 3.72Å; W39-Q67 HydrophobicContact CH2-CG 3.92Å; W39-Q67 HydrophobicContact CZ3-CB 3.64Å; W39-Q67 HydrophobicContact CZ3-CG 3.49Å; W39-Q67 VanDerWaalsContact CZ3-CG 3.49Å; W39-I71 HydrophobicContact CH2-CD1 3.55Å; W39-I71 HydrophobicContact CH2-CG1 3.91Å; W39-I71 HydrophobicContact CZ2-CD1 4.3Å; W39-I71 HydrophobicContact CZ2-CG1 4.2Å; W39-I71 HydrophobicContact CZ3-CD1 4.44Å
40A96.5Very high95.4Very high14 Ų1460 Ų6012%0.11632%0.317CS..EExtended strand (participates in β ladder)trans-153.3171.5-170.300000112.3D37 W42 L54D37-A40 PolarHBondContact N-O 3.28Å; D37-A40 VanDerWaalsContact N-O 3.1Å; D37-A40 PolarHBondContact OD1-N 2.74Å; D37-A40 VanDerWaalsContact OD1-O 3.13Å; A40-W42 HydrophobicContact CB-CE3 4.34Å; A40-W42 HydrophobicContact CB-CH2 3.6Å; A40-W42 HydrophobicContact CB-CZ2 4.42Å; A40-W42 HydrophobicContact CB-CZ3 3.54Å; A40-W42 WeakPolarHBondContact O-CZ3 3.38Å; A40-L54 WeakPolarHBondContact O-CD2 3.34Å
41R95.8Very high95.4Very high37 Ų3762 Ų6214%0.1433%0.333CS..EExtended strand (participates in β ladder)trans-128.7129.3179.1175.2173.3-73.2-171.5-0.6111.1V34 S35 T36 I43 N52 L54 Y58V34-R41 HydrophobicContact CG1-CG 3.78Å; S35-R41 CarbonylContact O-C 3.59Å; T36-R41 HydrophobicContact CG2-CB 4.43Å; T36-R41 WeakPolarHBondContact OG1-CG 3.37Å; T36-R41 PolarHBondContact OG1-NE 2.88Å; R41-I43 HydrophobicContact CG-CG1 4.1Å; R41-N52 PolarHBondContact N-O 3.44Å; R41-N52 WeakPolarHBondContact O-CA 3.23Å; R41-N52 WeakPolarHBondContact O-CB 3.45Å; R41-N52 PolarHBondContact O-N 2.93Å; R41-L54 HydrophobicContact CB-CD2 4.43Å; R41-Y58 PolarHBondContact NH2-OH 2.88Å
42W96.6Very high95.3Very high61 Ų6164 Ų6423%0.23134%0.343CS..EExtended strand (participates in β ladder)trans-100.7134.4173.3-70.9-106.8000110.2N26 V34 S35 D37 A40 W49 S50N26-W42 HydrophobicContact CB-CD2 4.16Å; N26-W42 HydrophobicContact CB-CE3 3.69Å; N26-W42 HydrophobicContact CB-CH2 3.92Å; N26-W42 HydrophobicContact CB-CZ2 4.36Å; N26-W42 HydrophobicContact CB-CZ3 3.57Å; V34-W42 CarbonylContact C-O 3.6Å; V34-W42 WeakPolarHBondContact CA-O 3.42Å; S35-W42 PolarHBondContact N-O 3.35Å; S35-W42 PolarHBondContact O-N 3.37Å; D37-W42 WeakPolarHBondContact OD2-CH2 3.39Å; D37-W42 VanDerWaalsContact OD2-CZ3 3.23Å; D37-W42 WeakPolarHBondContact OD2-CZ3 3.3Å; A40-W42 HydrophobicContact CB-CE3 4.34Å; A40-W42 HydrophobicContact CB-CH2 3.6Å; A40-W42 HydrophobicContact CB-CZ2 4.42Å; A40-W42 HydrophobicContact CB-CZ3 3.54Å; A40-W42 WeakPolarHBondContact O-CZ3 3.38Å; W42-W49 HydrophobicContact CB-CE3 3.74Å; W42-W49 HydrophobicContact CB-CZ3 4.12Å; W42-S50 VanDerWaalsContact CA-O 3.25Å; W42-S50 WeakPolarHBondContact CA-O 3.13Å
43I96.3Very high95.4Very high54 Ų5462.2 Ų62.228%0.27734%0.343SS..EExtended strand (participates in β ladder)trans-124.6129.2179.4-54.7177.9000108.8I33 V34 R41 T45 S50I33-I43 CarbonylContact O-C 3.55Å; I33-I43 WeakPolarHBondContact O-CA 3.33Å; V34-I43 HydrophobicContact CG2-CG1 4.47Å; R41-I43 HydrophobicContact CG-CG1 4.1Å; I43-T45 PolarHBondContact O-N 2.94Å; I43-S50 PolarHBondContact N-O 3.34Å; I43-S50 PolarHBondContact O-N 3.11Å; I43-S50 PolarHBondContact O-OG 3.49Å
44L96.1Very high95.4Very high53 Ų5358.8 Ų58.828%0.27733%0.325SS..EExtended strand (participates in β ladder)trans-84.5110.6176.2-17763.3000109.5I33 W49I33-L44 HydrophobicContact CB-CB 4.27Å; I33-L44 PolarHBondContact O-N 3Å; L44-W49 HydrophobicContact CB-CD2 4.06Å; L44-W49 HydrophobicContact CB-CE3 3.92Å; L44-W49 HydrophobicContact CB-CH2 3.95Å; L44-W49 HydrophobicContact CB-CZ2 4.04Å; L44-W49 HydrophobicContact CB-CZ3 3.88Å; L44-W49 HydrophobicContact CD1-CD2 4.13Å; L44-W49 HydrophobicContact CD1-CG 4.19Å; L44-W49 HydrophobicContact CD2-CZ2 4.34Å
45T95.1Very high95.1Very high77 Ų7759 Ų5947%0.47233%0.327SS..EExtended strand (participates in β ladder)trans-124.5124.2176.6-53.60000109.3I43 G47 T48I43-T45 PolarHBondContact O-N 2.94Å; T45-G47 PolarHBondContact O-N 3.36Å; T45-G47 VanDerWaalsContact O-N 3.15Å; T45-T48 PolarHBondContact N-O 2.67Å; T45-T48 PolarHBondContact O-N 2.81Å
46N93.7Very high94.8Very high165 Ų16563 Ų6388%0.88237%0.369SS*.THydrogen-bonded Turntrans51.136.7179.9-60.7-24.4000114.4T48N46-T48 VanDerWaalsContact C-N 3.33Å
47G93Very high94.5Very high68 Ų6870.5 Ų70.570%0.70140%0.404SS*.THydrogen-bonded Turntrans83.90.5179.300000115.4T45T45-G47 PolarHBondContact O-N 3.36Å; T45-G47 VanDerWaalsContact O-N 3.15Å
48T94.4Very high94.4Very high98 Ų9871.3 Ų71.360%0.60141%0.407SS*.EExtended strand (participates in β ladder)trans-115.8134.4179.4-54.50000110.8T45 N46T45-T48 PolarHBondContact N-O 2.67Å; T45-T48 PolarHBondContact O-N 2.81Å; N46-T48 VanDerWaalsContact C-N 3.33Å
49W94.4Very high94.3Very high121 Ų12173.5 Ų73.546%0.45842%0.421SS..EExtended strand (participates in β ladder)trans-83.9126.9173.1-72.6102.7000110.6W42 L44W42-W49 HydrophobicContact CB-CE3 3.74Å; W42-W49 HydrophobicContact CB-CZ3 4.12Å; L44-W49 HydrophobicContact CB-CD2 4.06Å; L44-W49 HydrophobicContact CB-CE3 3.92Å; L44-W49 HydrophobicContact CB-CH2 3.95Å; L44-W49 HydrophobicContact CB-CZ2 4.04Å; L44-W49 HydrophobicContact CB-CZ3 3.88Å; L44-W49 HydrophobicContact CD1-CD2 4.13Å; L44-W49 HydrophobicContact CD1-CG 4.19Å; L44-W49 HydrophobicContact CD2-CZ2 4.34Å
50S95.3Very high94.2Very high48 Ų4875.2 Ų75.234%0.33643%0.433SS..EExtended strand (participates in β ladder)trans-115.9136.3171.160.60000110.8W42 I43 N52W42-S50 VanDerWaalsContact CA-O 3.25Å; W42-S50 WeakPolarHBondContact CA-O 3.13Å; I43-S50 PolarHBondContact N-O 3.34Å; I43-S50 PolarHBondContact O-N 3.11Å; I43-S50 PolarHBondContact O-OG 3.49Å; S50-N52 PolarHBondContact O-ND2 3.43Å; S50-N52 PolarHBondContact OG-ND2 3.28Å
51S94.8Very high94.2Very high74 Ų7480.4 Ų80.452%0.51746%0.455SS..EExtended strand (participates in β ladder)trans-82.3134.5173.5-171.40000109.8
52N94.9Very high94.3Very high69 Ų6983.4 Ų83.437%0.36947%0.467SS..EExtended strand (participates in β ladder)trans-135160.5178.9-57.3-90000109R41 S50R41-N52 PolarHBondContact N-O 3.44Å; R41-N52 WeakPolarHBondContact O-CA 3.23Å; R41-N52 WeakPolarHBondContact O-CB 3.45Å; R41-N52 PolarHBondContact O-N 2.93Å; S50-N52 PolarHBondContact O-ND2 3.43Å; S50-N52 PolarHBondContact OG-ND2 3.28Å
53D95.1Very high94.4Very high148 Ų14881.5 Ų81.579%0.79146%0.461SS*.EExtended strand (participates in β ladder)trans-63.1156.6170.7-65-38.6000111.1
54L94.3Very high94.4Very high24 Ų2483.9 Ų83.913%0.12647%0.471CS..PPolyproline II helixtrans-60.3149.4172-68.9171.5000110.6T36 A40 R41 G56 Y58 L63T36-L54 HydrophobicContact CG2-CD2 3.49Å; T36-L54 VanDerWaalsContact CG2-CD2 3.49Å; A40-L54 WeakPolarHBondContact O-CD2 3.34Å; R41-L54 HydrophobicContact CB-CD2 4.43Å; L54-G56 PolarHBondContact O-N 3.28Å; L54-Y58 HydrophobicContact CB-CD2 4.44Å; L54-Y58 HydrophobicContact CD2-CE2 4.36Å; L54-L63 HydrophobicContact CD1-CD1 3.77Å; L54-L63 HydrophobicContact CD1-CD2 3.59Å; L54-L63 HydrophobicContact CD1-CG 4.27Å
55P90.2Very high94.5Very high24 Ų2483 Ų8316%0.15647%0.472CS..PPolyproline II helixtrans-56.7130.6-177.1-24.634.5000111.9Q57 Y58P55-Q57 HydrophobicContact CB-CG 3.92Å; P55-Q57 PolarHBondContact O-N 2.98Å; P55-Y58 HydrophobicContact CB-CD1 3.88Å; P55-Y58 HydrophobicContact CB-CE1 4.01Å; P55-Y58 HydrophobicContact CG-CD1 4.06Å; P55-Y58 HydrophobicContact CG-CE1 3.72Å; P55-Y58 VanDerWaalsContact O-CB 3.3Å; P55-Y58 WeakPolarHBondContact O-CB 3.23Å; P55-Y58 PolarHBondContact O-N 3.49Å
56G89.1Confident94.7Very high89 Ų8979.4 Ų79.492%0.91845%0.449SS*.THydrogen-bonded Turntrans-62.2-12.4179.800000115L54 Y58L54-G56 PolarHBondContact O-N 3.28Å; G56-Y58 VanDerWaalsContact C-N 3.3Å
57Q89.8Confident94.9Very high156 Ų15673.3 Ų73.373%0.72942%0.416SS*.THydrogen-bonded Turntrans-80-8.2172.866.3-176.3-5.900113.8P55P55-Q57 HydrophobicContact CB-CG 3.92Å; P55-Q57 PolarHBondContact O-N 2.98Å
58Y93.1Very high95.2Very high22 Ų2272.4 Ų72.49%0.08640%0.402CS..SBendtrans-66.3129.4177.2-86.323.8000110R41 L54 P55 G56 Q60 F122 H123R41-Y58 PolarHBondContact NH2-OH 2.88Å; L54-Y58 HydrophobicContact CB-CD2 4.44Å; L54-Y58 HydrophobicContact CD2-CE2 4.36Å; P55-Y58 HydrophobicContact CB-CD1 3.88Å; P55-Y58 HydrophobicContact CB-CE1 4.01Å; P55-Y58 HydrophobicContact CG-CD1 4.06Å; P55-Y58 HydrophobicContact CG-CE1 3.72Å; P55-Y58 VanDerWaalsContact O-CB 3.3Å; P55-Y58 WeakPolarHBondContact O-CB 3.23Å; P55-Y58 PolarHBondContact O-N 3.49Å; G56-Y58 VanDerWaalsContact C-N 3.3Å; Y58-Q60 PolarHBondContact O-N 3.16Å; Y58-F122 HydrophobicContact CD1-CD1 4.21Å; Y58-F122 HydrophobicContact CD1-CE1 4.47Å; Y58-F122 AromaticContact CD2-CD1 3.44Å; Y58-F122 HydrophobicContact CD2-CD1 3.44Å; Y58-F122 VanDerWaalsContact CD2-CD1 3.44Å; Y58-F122 AromaticContact CD2-CE1 3.39Å; Y58-F122 HydrophobicContact CD2-CE1 3.39Å; Y58-F122 HydrophobicContact CE1-CD1 4.3Å; Y58-F122 AromaticContact CE2-CD1 3.53Å; Y58-F122 HydrophobicContact CE2-CD1 3.53Å; Y58-F122 AromaticContact CE2-CE1 3.97Å; Y58-F122 HydrophobicContact CE2-CE1 3.97Å; Y58-F122 AromaticContact CG-CD1 3.79Å; Y58-F122 HydrophobicContact CG-CD1 3.79Å; Y58-F122 AromaticContact CG-CE1 3.68Å; Y58-F122 HydrophobicContact CG-CE1 3.68Å; Y58-F122 AromaticContact CZ-CD1 3.98Å; Y58-H123 AromaticContact CZ-NE2 3.91Å; Y58-H123 PolarHBondContact OH-CE1 2.93Å; Y58-H123 PolarHBondContact OH-NE2 3.28Å
59P95.3Very high95.4Very high46 Ų4668.6 Ų68.630%0.29938%0.379SS..  trans-59110.7174.8-25.335.9000110.6E61 Y62 L63 I121P59-E61 PolarHBondContact O-N 3.39Å; P59-Y62 HydrophobicContact CB-CD2 3.65Å; P59-Y62 HydrophobicContact CB-CG 4.46Å; P59-Y62 PolarHBondContact O-N 3.36Å; P59-L63 PolarHBondContact O-N 3.45Å; P59-I121 HydrophobicContact CB-CG2 4.35Å; P59-I121 HydrophobicContact CG-CG2 3.91Å
60Q95.3Very high95.6Very high131 Ų13162.8 Ų62.861%0.61236%0.357SS*.Hα-helixtrans-65.9-39.3-166.6-171.4177.214.600111.9Y58 Y62 L63 Q64Y58-Q60 PolarHBondContact O-N 3.16Å; Q60-Y62 PolarHBondContact O-N 3.44Å; Q60-L63 PolarHBondContact O-N 3.49Å; Q60-Q64 HydrophobicContact CG-CG 4.49Å; Q60-Q64 WeakPolarHBondContact O-CB 3.44Å; Q60-Q64 WeakPolarHBondContact O-CG 3.29Å; Q60-Q64 PolarHBondContact O-N 2.89Å
61E96.6Very high95.8Very high123 Ų12364.1 Ų64.158%0.57536%0.359SS*.Hα-helixtrans-61.2-41.717857.5-76.2172.700112.5P59 A65P59-E61 PolarHBondContact O-N 3.39Å; E61-A65 WeakPolarHBondContact O-CB 3.45Å; E61-A65 PolarHBondContact O-N 3.22Å
62Y97.5Very high95.9Very high101 Ų10164 Ų6440%0.39635%0.353SS..Hα-helixtrans-72.6-37.8177.1-69.2-79.1000111.4P59 Q60 A65 V66 I117 I121P59-Y62 HydrophobicContact CB-CD2 3.65Å; P59-Y62 HydrophobicContact CB-CG 4.46Å; P59-Y62 PolarHBondContact O-N 3.36Å; Q60-Y62 PolarHBondContact O-N 3.44Å; Y62-A65 WeakPolarHBondContact O-CB 3.33Å; Y62-A65 PolarHBondContact O-N 2.97Å; Y62-V66 WeakPolarHBondContact O-CG2 3.32Å; Y62-V66 PolarHBondContact O-N 3.24Å; Y62-I117 HydrophobicContact CD1-CG2 3.78Å; Y62-I117 HydrophobicContact CG-CG2 4.34Å; Y62-I121 HydrophobicContact CD1-CD1 4.13Å; Y62-I121 HydrophobicContact CD1-CG1 3.73Å; Y62-I121 HydrophobicContact CD2-CG2 4.12Å; Y62-I121 HydrophobicContact CE1-CD1 3.91Å; Y62-I121 HydrophobicContact CE1-CG1 4.02Å; Y62-I121 HydrophobicContact CE2-CD1 4.38Å; Y62-I121 HydrophobicContact CG-CB 4.49Å; Y62-I121 HydrophobicContact CG-CD1 4.43Å; Y62-I121 HydrophobicContact CG-CG1 3.97Å; Y62-I121 HydrophobicContact CG-CG2 3.99Å
63L97.4Very high96.1Very high20 Ų2060.7 Ų60.711%0.10534%0.335CS..Hα-helixtrans-63.3-45.9177.3178.161.6000110.7L54 P59 Q60 A65 V66 Q67 F122L54-L63 HydrophobicContact CD1-CD1 3.77Å; L54-L63 HydrophobicContact CD1-CD2 3.59Å; L54-L63 HydrophobicContact CD1-CG 4.27Å; P59-L63 PolarHBondContact O-N 3.45Å; Q60-L63 PolarHBondContact O-N 3.49Å; L63-A65 VanDerWaalsContact C-N 3.3Å; L63-A65 PolarHBondContact O-N 2.9Å; L63-V66 PolarHBondContact O-N 3.09Å; L63-Q67 HydrophobicContact CD1-CG 4.36Å; L63-Q67 WeakPolarHBondContact O-CB 3.25Å; L63-Q67 VanDerWaalsContact O-CG 3.3Å; L63-Q67 WeakPolarHBondContact O-CG 3.01Å; L63-Q67 PolarHBondContact O-N 2.97Å; L63-F122 HydrophobicContact CB-CE1 4.3Å; L63-F122 HydrophobicContact CB-CZ 3.9Å
64Q97.8Very high96.3Very high105 Ų10554.3 Ų54.349%0.49130%0.301SS..Hα-helixtrans-60.9-39.6174.6-74.6179.6-4.800111.8Q60 Q67 A68Q60-Q64 HydrophobicContact CG-CG 4.49Å; Q60-Q64 WeakPolarHBondContact O-CB 3.44Å; Q60-Q64 WeakPolarHBondContact O-CG 3.29Å; Q60-Q64 PolarHBondContact O-N 2.89Å; Q64-Q67 PolarHBondContact O-N 3.4Å; Q64-A68 VanDerWaalsContact O-CB 3.22Å; Q64-A68 WeakPolarHBondContact O-CB 3.38Å; Q64-A68 PolarHBondContact O-N 2.89Å
65A98.3Very high96.5Very high35 Ų3557 Ų5729%0.28932%0.315SS..Hα-helixtrans-62.6-42.5175.800000112.1E61 Y62 L63 S69 I117E61-A65 WeakPolarHBondContact O-CB 3.45Å; E61-A65 PolarHBondContact O-N 3.22Å; Y62-A65 WeakPolarHBondContact O-CB 3.33Å; Y62-A65 PolarHBondContact O-N 2.97Å; L63-A65 VanDerWaalsContact C-N 3.3Å; L63-A65 PolarHBondContact O-N 2.9Å; A65-S69 WeakPolarHBondContact O-CB 3.36Å; A65-S69 PolarHBondContact O-N 3.26Å; A65-S69 PolarHBondContact O-OG 3.28Å; A65-I117 HydrophobicContact CB-CD1 4.08Å
66V98.4Very high96.9Very high0 Ų058 Ų580%032%0.317CS..Hα-helixtrans-62.2-51.3175172.50000110.6W28 V38 Y62 L63 S69 S70 A114 I117 Y118 F122W28-V66 HydrophobicContact CH2-CG1 4.24Å; W28-V66 HydrophobicContact CZ3-CG1 4.13Å; V38-V66 HydrophobicContact CB-CG1 4.39Å; V38-V66 HydrophobicContact CG1-CG1 3.68Å; Y62-V66 WeakPolarHBondContact O-CG2 3.32Å; Y62-V66 PolarHBondContact O-N 3.24Å; L63-V66 PolarHBondContact O-N 3.09Å; V66-S69 PolarHBondContact O-N 3.33Å; V66-S70 WeakPolarHBondContact O-CB 3.43Å; V66-S70 PolarHBondContact O-N 3.19Å; V66-S70 PolarHBondContact O-OG 3.13Å; V66-S70 VanDerWaalsContact O-OG 3.05Å; V66-A114 HydrophobicContact CG1-CB 4.24Å; V66-I117 HydrophobicContact CG2-CB 3.89Å; V66-I117 HydrophobicContact CG2-CG2 3.61Å; V66-Y118 HydrophobicContact CG1-CD2 4.3Å; V66-F122 HydrophobicContact CG2-CE2 4.3Å
67Q98.4Very high97.4Very high38 Ų3853.8 Ų53.818%0.17827%0.274CS..Hα-helixtrans-59.2-51.5-179.4-73.1172.5-2100112.2V38 W39 L63 Q64 S69 S70 I71V38-Q67 HydrophobicContact CB-CG 4.34Å; V38-Q67 VanDerWaalsContact O-CG 3.29Å; V38-Q67 WeakPolarHBondContact O-CG 3.27Å; V38-Q67 PolarHBondContact O-NE2 3.14Å; W39-Q67 HydrophobicContact CE3-CG 3.9Å; W39-Q67 HydrophobicContact CH2-CB 3.72Å; W39-Q67 HydrophobicContact CH2-CG 3.92Å; W39-Q67 HydrophobicContact CZ3-CB 3.64Å; W39-Q67 HydrophobicContact CZ3-CG 3.49Å; W39-Q67 VanDerWaalsContact CZ3-CG 3.49Å; L63-Q67 HydrophobicContact CD1-CG 4.36Å; L63-Q67 WeakPolarHBondContact O-CB 3.25Å; L63-Q67 VanDerWaalsContact O-CG 3.3Å; L63-Q67 WeakPolarHBondContact O-CG 3.01Å; L63-Q67 PolarHBondContact O-N 2.97Å; Q64-Q67 PolarHBondContact O-N 3.4Å; Q67-S69 VanDerWaalsContact C-N 3.34Å; Q67-S69 PolarHBondContact O-N 3.13Å; Q67-S70 PolarHBondContact O-N 2.96Å; Q67-I71 WeakPolarHBondContact O-CG1 3.35Å; Q67-I71 PolarHBondContact O-N 3.31Å
68A98.6Very high97.8Very high49 Ų4948.2 Ų48.241%0.40525%0.252SS..Hα-helixtrans-63.1-41.7-18000000111.5Q64 I71 L72Q64-A68 VanDerWaalsContact O-CB 3.22Å; Q64-A68 WeakPolarHBondContact O-CB 3.38Å; Q64-A68 PolarHBondContact O-N 2.89Å; A68-I71 PolarHBondContact O-N 3.47Å; A68-L72 WeakPolarHBondContact O-CB 3.4Å; A68-L72 VanDerWaalsContact O-CG 3.29Å; A68-L72 WeakPolarHBondContact O-CG 3.19Å; A68-L72 PolarHBondContact O-N 3.01Å
69S98.7Very high98.1Very high17 Ų1750.8 Ų50.812%0.11927%0.267CS..Hα-helixtrans-66.3-40.5178.4-60.20000111.9A65 V66 Q67 L72 A73 C110A65-S69 WeakPolarHBondContact O-CB 3.36Å; A65-S69 PolarHBondContact O-N 3.26Å; A65-S69 PolarHBondContact O-OG 3.28Å; V66-S69 PolarHBondContact O-N 3.33Å; Q67-S69 VanDerWaalsContact C-N 3.34Å; Q67-S69 PolarHBondContact O-N 3.13Å; S69-L72 PolarHBondContact O-N 2.81Å; S69-A73 WeakPolarHBondContact O-CB 3.48Å; S69-A73 PolarHBondContact O-N 2.97Å; S69-C110 WeakPolarHBondContact CB-O 3.41Å; S69-C110 WeakPolarHBondContact O-CB 3.31Å
70S98.6Very high98.2Very high0 Ų048.6 Ų48.60%025%0.253CS..Hα-helixtrans-62.1-43.7174.4-64.50000112.1V66 Q67 A73 C74V66-S70 WeakPolarHBondContact O-CB 3.43Å; V66-S70 PolarHBondContact O-N 3.19Å; V66-S70 PolarHBondContact O-OG 3.13Å; V66-S70 VanDerWaalsContact O-OG 3.05Å; Q67-S70 PolarHBondContact O-N 2.96Å; S70-A73 PolarHBondContact O-N 3.08Å; S70-C74 PolarHBondContact O-N 2.92Å
71I98.8Very high98.3Very high75 Ų7543.5 Ų43.539%0.38523%0.229SC..Hα-helixtrans-62.4-48.1175-67.2163.4000110.9W39 Q67 A68 A73 C74 I75W39-I71 HydrophobicContact CH2-CD1 3.55Å; W39-I71 HydrophobicContact CH2-CG1 3.91Å; W39-I71 HydrophobicContact CZ2-CD1 4.3Å; W39-I71 HydrophobicContact CZ2-CG1 4.2Å; W39-I71 HydrophobicContact CZ3-CD1 4.44Å; Q67-I71 WeakPolarHBondContact O-CG1 3.35Å; Q67-I71 PolarHBondContact O-N 3.31Å; A68-I71 PolarHBondContact O-N 3.47Å; I71-A73 PolarHBondContact O-N 3.41Å; I71-C74 WeakPolarHBondContact O-CB 2.94Å; I71-C74 PolarHBondContact O-N 2.97Å; I71-C74 VanDerWaalsContact O-N 3.15Å; I71-I75 HydrophobicContact CG2-CD1 3.67Å; I71-I75 HydrophobicContact CG2-CG1 4.24Å; I71-I75 WeakPolarHBondContact O-CG1 3.2Å; I71-I75 PolarHBondContact O-N 3.16Å
72L98.8Very high98.4Very high72 Ų7245 Ų4538%0.37723%0.234SC..Hα-helixtrans-60-36.8179.6-75.8172.8000111.7A68 S69 I75 F76 C110A68-L72 WeakPolarHBondContact O-CB 3.4Å; A68-L72 VanDerWaalsContact O-CG 3.29Å; A68-L72 WeakPolarHBondContact O-CG 3.19Å; A68-L72 PolarHBondContact O-N 3.01Å; S69-L72 PolarHBondContact O-N 2.81Å; L72-I75 PolarHBondContact O-N 3.39Å; L72-F76 HydrophobicContact CB-CD2 4.23Å; L72-F76 HydrophobicContact CB-CE2 4.11Å; L72-F76 HydrophobicContact CD2-CE2 4.1Å; L72-F76 HydrophobicContact CD2-CZ 4.34Å; L72-F76 WeakPolarHBondContact O-CB 3.47Å; L72-F76 WeakPolarHBondContact O-CD2 3.25Å; L72-F76 WeakPolarHBondContact O-CG 3.39Å; L72-F76 PolarHBondContact O-N 3.24Å; L72-C110 HydrophobicContact CB-CB 4.4Å
73A98.8Very high98.3Very high0 Ų042.3 Ų42.30%023%0.228CC..Hα-helixtrans-60.5-47.4174.800000112.1L19 S69 S70 I71 I75 S77 A107 C110 I111L19-A73 HydrophobicContact CD1-CB 4.44Å; L19-A73 HydrophobicContact CD2-CB 3.92Å; S69-A73 WeakPolarHBondContact O-CB 3.48Å; S69-A73 PolarHBondContact O-N 2.97Å; S70-A73 PolarHBondContact O-N 3.08Å; I71-A73 PolarHBondContact O-N 3.41Å; A73-I75 PolarHBondContact O-N 3.31Å; A73-S77 WeakPolarHBondContact O-CB 3.23Å; A73-S77 PolarHBondContact O-N 3.36Å; A73-A107 WeakPolarHBondContact CB-O 3.49Å; A73-A107 WeakPolarHBondContact O-CB 3.49Å; A73-C110 HydrophobicContact CB-CB 3.85Å; A73-I111 HydrophobicContact CB-CB 3.94Å
74C98.8Very high98.3Very high13 Ų1341.4 Ų41.49%0.08822%0.223CC..Hα-helixtrans-59.5-45.3175.5-69.80000112.1L20 T23 S70 I71 S78L20-C74 HydrophobicContact CD2-CB 4.25Å; T23-C74 PolarHBondContact OG1-SG 3.2Å; S70-C74 PolarHBondContact O-N 2.92Å; I71-C74 WeakPolarHBondContact O-CB 2.94Å; I71-C74 PolarHBondContact O-N 2.97Å; I71-C74 VanDerWaalsContact O-N 3.15Å; C74-S78 VanDerWaalsContact O-CB 3.31Å; C74-S78 WeakPolarHBondContact O-CB 3.35Å; C74-S78 PolarHBondContact O-N 2.69Å; C74-S78 PolarHBondContact O-OG 3.08Å
75I98.8Very high98.1Very high80 Ų8039 Ų3941%0.4122%0.215SC..Hα-helixtrans-63.9-53.3179.7-68.2172.8000110.6I71 L72 A73 S77 S78 L79I71-I75 HydrophobicContact CG2-CD1 3.67Å; I71-I75 HydrophobicContact CG2-CG1 4.24Å; I71-I75 WeakPolarHBondContact O-CG1 3.2Å; I71-I75 PolarHBondContact O-N 3.16Å; L72-I75 PolarHBondContact O-N 3.39Å; A73-I75 PolarHBondContact O-N 3.31Å; I75-S77 PolarHBondContact O-N 3.2Å; I75-S78 PolarHBondContact O-N 3.38Å; I75-L79 HydrophobicContact CG2-CD1 3.88Å; I75-L79 HydrophobicContact CG2-CG 4.31Å; I75-L79 WeakPolarHBondContact O-CG 3.43Å; I75-L79 PolarHBondContact O-N 3.02Å
76F98.8Very high97.8Very high47 Ų4738.8 Ų38.821%0.20622%0.217CC..Hα-helixtrans-64.2-40-176.5-72.6-46.5000112.1L72 L79 G80 F103 L106 A107L72-F76 HydrophobicContact CB-CD2 4.23Å; L72-F76 HydrophobicContact CB-CE2 4.11Å; L72-F76 HydrophobicContact CD2-CE2 4.1Å; L72-F76 HydrophobicContact CD2-CZ 4.34Å; L72-F76 WeakPolarHBondContact O-CB 3.47Å; L72-F76 WeakPolarHBondContact O-CD2 3.25Å; L72-F76 WeakPolarHBondContact O-CG 3.39Å; L72-F76 PolarHBondContact O-N 3.24Å; F76-L79 PolarHBondContact O-N 3.21Å; F76-G80 PolarHBondContact O-N 3.3Å; F76-F103 HydrophobicContact CB-CD1 4.49Å; F76-F103 AromaticContact CD1-CD1 3.79Å; F76-F103 HydrophobicContact CD1-CD1 3.79Å; F76-F103 HydrophobicContact CD1-CE1 4.06Å; F76-F103 HydrophobicContact CE1-CE1 4.48Å; F76-L106 HydrophobicContact CB-CB 4.3Å; F76-L106 HydrophobicContact CD1-CD1 4.31Å; F76-L106 HydrophobicContact CD2-CB 3.73Å; F76-L106 HydrophobicContact CE1-CD1 4.15Å; F76-L106 HydrophobicContact CE2-CB 4.12Å; F76-L106 HydrophobicContact CE2-CD1 4.46Å; F76-L106 HydrophobicContact CG-CB 3.96Å; F76-L106 HydrophobicContact CZ-CD1 4.23Å; F76-A107 HydrophobicContact CB-CB 4.01Å
77S98.6Very high97.6Very high0 Ų039.4 Ų39.40%022%0.22CC..Hα-helixtrans-65.7-42.7176-164.10000111.2H12 I16 A73 I75 L79 G80 L81 Q104H12-S77 PolarHBondContact NE2-O 3Å; H12-S77 PolarHBondContact NE2-OG 3.39Å; I16-S77 VanDerWaalsContact CG1-OG 3.29Å; I16-S77 WeakPolarHBondContact CG1-OG 3.36Å; A73-S77 WeakPolarHBondContact O-CB 3.23Å; A73-S77 PolarHBondContact O-N 3.36Å; I75-S77 PolarHBondContact O-N 3.2Å; S77-L79 PolarHBondContact O-N 3.46Å; S77-G80 PolarHBondContact O-N 2.9Å; S77-G80 VanDerWaalsContact O-N 3.16Å; S77-L81 PolarHBondContact O-N 3.44Å; S77-Q104 PolarHBondContact OG-NE2 3.34Å; S77-Q104 PolarHBondContact OG-OE1 2.99Å
78S98.6Very high97.2Very high38 Ų3839.7 Ų39.727%0.26622%0.223SC..Hα-helixtrans-60.2-46.9176.2-58.70000112.4C74 I75 G80 L81 F82C74-S78 VanDerWaalsContact O-CB 3.31Å; C74-S78 WeakPolarHBondContact O-CB 3.35Å; C74-S78 PolarHBondContact O-N 2.69Å; C74-S78 PolarHBondContact O-OG 3.08Å; I75-S78 PolarHBondContact O-N 3.38Å; S78-G80 VanDerWaalsContact C-N 3.33Å; S78-G80 PolarHBondContact O-N 3.44Å; S78-L81 PolarHBondContact O-N 3.05Å; S78-F82 WeakPolarHBondContact O-CD2 3.26Å; S78-F82 PolarHBondContact O-N 3.18Å
79L98.5Very high96.7Very high77 Ų7745.5 Ų45.540%0.40324%0.239SC..Hα-helixtrans-61.6-41.3174.6-69.5178.1000111.7I75 F76 S77 L81 F82 V83 F103I75-L79 HydrophobicContact CG2-CD1 3.88Å; I75-L79 HydrophobicContact CG2-CG 4.31Å; I75-L79 WeakPolarHBondContact O-CG 3.43Å; I75-L79 PolarHBondContact O-N 3.02Å; F76-L79 PolarHBondContact O-N 3.21Å; S77-L79 PolarHBondContact O-N 3.46Å; L79-L81 VanDerWaalsContact C-N 3.27Å; L79-L81 PolarHBondContact O-N 3.47Å; L79-F82 PolarHBondContact O-N 2.82Å; L79-V83 WeakPolarHBondContact O-CB 3.4Å; L79-V83 VanDerWaalsContact O-CG2 3.3Å; L79-V83 WeakPolarHBondContact O-CG2 3.14Å; L79-V83 PolarHBondContact O-N 3.19Å; L79-F103 HydrophobicContact CB-CD1 4.19Å; L79-F103 HydrophobicContact CB-CE1 4.25Å; L79-F103 HydrophobicContact CD1-CE1 4.21Å
80G98.1Very high96.2Very high0 Ų050.1 Ų50.10%027%0.266CS..Hα-helixtrans-57.6-38.8176.700000112.8F76 S77 S78 F84 S100F76-G80 PolarHBondContact O-N 3.3Å; S77-G80 PolarHBondContact O-N 2.9Å; S77-G80 VanDerWaalsContact O-N 3.16Å; S78-G80 VanDerWaalsContact C-N 3.33Å; S78-G80 PolarHBondContact O-N 3.44Å; G80-F84 WeakPolarHBondContact O-CB 3.41Å; G80-F84 PolarHBondContact O-N 3.39Å; G80-S100 PolarHBondContact O-OG 3.5Å; G80-S100 VanDerWaalsContact O-OG 3.09Å
81L97.9Very high95.8Very high23 Ų2351.5 Ų51.512%0.1227%0.274CS..Hα-helixtrans-68.5-44.9176.2-175.564.1000111.9F9 H12 L13 I16 S77 S78 L79 V83 F84 V85F9-L81 HydrophobicContact CD2-CD1 3.73Å; F9-L81 HydrophobicContact CE2-CD1 3.71Å; F9-L81 HydrophobicContact CE2-CD2 4.32Å; F9-L81 HydrophobicContact CE2-CG 4.3Å; H12-L81 HydrophobicContact CB-CD1 4.1Å; H12-L81 PolarHBondContact CE1-N 3.33Å; H12-L81 PolarHBondContact NE2-N 3.41Å; L13-L81 HydrophobicContact CD1-CD2 4.33Å; I16-L81 HydrophobicContact CD1-CB 3.8Å; I16-L81 HydrophobicContact CD1-CD2 3.65Å; I16-L81 HydrophobicContact CD1-CG 4.32Å; S77-L81 PolarHBondContact O-N 3.44Å; S78-L81 PolarHBondContact O-N 3.05Å; L79-L81 VanDerWaalsContact C-N 3.27Å; L79-L81 PolarHBondContact O-N 3.47Å; L81-V83 VanDerWaalsContact C-N 3.34Å; L81-V83 PolarHBondContact O-N 3.4Å; L81-F84 HydrophobicContact CD1-CD1 4.27Å; L81-F84 WeakPolarHBondContact O-CB 3.49Å; L81-F84 PolarHBondContact O-N 2.66Å; L81-F84 VanDerWaalsContact O-N 3.13Å; L81-V85 WeakPolarHBondContact O-CG2 3.38Å; L81-V85 PolarHBondContact O-N 2.96Å
82F97.6Very high95.3Very high155 Ų15552 Ų5268%0.6828%0.284SS*.Hα-helixtrans-61.5-43.7175.4-72.3-63.3000111.9S78 L79 F84 V85 G86S78-F82 WeakPolarHBondContact O-CD2 3.26Å; S78-F82 PolarHBondContact O-N 3.18Å; L79-F82 PolarHBondContact O-N 2.82Å; F82-F84 VanDerWaalsContact C-N 3.27Å; F82-F84 PolarHBondContact O-N 3.34Å; F82-V85 PolarHBondContact O-N 2.87Å; F82-G86 PolarHBondContact O-N 3.33Å
83V96.9Very high94.6Very high44 Ų4454.6 Ų54.627%0.26729%0.292SS..Hα-helixtrans-61-39174.11720000110.6L79 L81 G86 Q87 F99 F103L79-V83 WeakPolarHBondContact O-CB 3.4Å; L79-V83 VanDerWaalsContact O-CG2 3.3Å; L79-V83 WeakPolarHBondContact O-CG2 3.14Å; L79-V83 PolarHBondContact O-N 3.19Å; L81-V83 VanDerWaalsContact C-N 3.34Å; L81-V83 PolarHBondContact O-N 3.4Å; V83-G86 PolarHBondContact O-N 3.01Å; V83-Q87 HydrophobicContact CG1-CG 4.22Å; V83-Q87 WeakPolarHBondContact O-CB 3.29Å; V83-Q87 VanDerWaalsContact O-CG 3.31Å; V83-Q87 WeakPolarHBondContact O-CG 3.43Å; V83-Q87 PolarHBondContact O-N 3.2Å; V83-F99 HydrophobicContact CG1-CB 3.71Å; V83-F103 HydrophobicContact CB-CD2 4.48Å; V83-F103 HydrophobicContact CG2-CD2 4.08Å; V83-F103 HydrophobicContact CG2-CE2 3.86Å
84F95.5Very high93.8Very high1 Ų156.4 Ų56.40%0.00431%0.311CS..Hα-helixtrans-62.4-49.2178.5169.3-116.4000110.7I8 F9 G80 L81 F82 G86 Q87 L88 F97 S100 Y152I8-F84 HydrophobicContact CG2-CZ 4.25Å; F9-F84 HydrophobicContact CB-CE1 4.13Å; F9-F84 HydrophobicContact CD2-CD1 4.38Å; F9-F84 HydrophobicContact CD2-CE1 4.22Å; G80-F84 WeakPolarHBondContact O-CB 3.41Å; G80-F84 PolarHBondContact O-N 3.39Å; L81-F84 HydrophobicContact CD1-CD1 4.27Å; L81-F84 WeakPolarHBondContact O-CB 3.49Å; L81-F84 PolarHBondContact O-N 2.66Å; L81-F84 VanDerWaalsContact O-N 3.13Å; F82-F84 VanDerWaalsContact C-N 3.27Å; F82-F84 PolarHBondContact O-N 3.34Å; F84-G86 VanDerWaalsContact C-N 3.31Å; F84-G86 PolarHBondContact O-N 3.31Å; F84-Q87 PolarHBondContact O-N 3.49Å; F84-Q87 VanDerWaalsContact O-N 3.16Å; F84-L88 HydrophobicContact CE1-CD1 4.11Å; F84-L88 HydrophobicContact CE1-CG 4.46Å; F84-L88 HydrophobicContact CE2-CD2 3.88Å; F84-L88 HydrophobicContact CE2-CG 4.27Å; F84-L88 HydrophobicContact CZ-CD1 4.19Å; F84-L88 HydrophobicContact CZ-CD2 3.86Å; F84-L88 HydrophobicContact CZ-CG 4.19Å; F84-L88 WeakPolarHBondContact O-CG 3.39Å; F84-L88 PolarHBondContact O-N 2.96Å; F84-F97 AromaticContact CD2-CD1 3.62Å; F84-F97 HydrophobicContact CD2-CD1 3.62Å; F84-F97 AromaticContact CD2-CE1 3.93Å; F84-F97 HydrophobicContact CD2-CE1 3.93Å; F84-F97 HydrophobicContact CD2-CG 4.22Å; F84-F97 AromaticContact CE2-CD1 3.8Å; F84-F97 HydrophobicContact CE2-CD1 3.8Å; F84-F97 AromaticContact CE2-CE1 3.72Å; F84-F97 HydrophobicContact CE2-CE1 3.72Å; F84-F97 HydrophobicContact CE2-CG 4.27Å; F84-F97 HydrophobicContact CE2-CZ 4.13Å; F84-S100 WeakPolarHBondContact CA-OG 3.12Å; F84-S100 VanDerWaalsContact CB-OG 3.27Å; F84-S100 WeakPolarHBondContact CB-OG 3.34Å; F84-S100 PolarHBondContact N-OG 3.3Å; F84-Y152 HydrophobicContact CB-CE1 4.34Å; F84-Y152 HydrophobicContact CD2-CD1 4.15Å; F84-Y152 AromaticContact CD2-CE1 3.28Å; F84-Y152 HydrophobicContact CD2-CE1 3.28Å; F84-Y152 AromaticContact CD2-CZ 3.91Å; F84-Y152 HydrophobicContact CE2-CD1 4.43Å; F84-Y152 AromaticContact CE2-CE1 3.58Å; F84-Y152 HydrophobicContact CE2-CE1 3.58Å; F84-Y152 AromaticContact CG-CE1 3.8Å; F84-Y152 HydrophobicContact CG-CE1 3.8Å; F84-Y152 AromaticContact CG-CZ 3.93Å; F84-Y152 WeakPolarHBondContact CG-OH 3.34Å; F84-Y152 HydrophobicContact CZ-CE1 4.3Å
85V94.2Very high93.3Very high54 Ų5461.2 Ų61.233%0.32733%0.332SS..Hα-helixtrans-58.5-44.1175.7175.20000110.7F9 L81 F82 Q87 L88 F89F9-V85 HydrophobicContact CE2-CG2 4.19Å; L81-V85 WeakPolarHBondContact O-CG2 3.38Å; L81-V85 PolarHBondContact O-N 2.96Å; F82-V85 PolarHBondContact O-N 2.87Å; V85-Q87 PolarHBondContact O-N 2.92Å; V85-L88 WeakPolarHBondContact O-CB 3.43Å; V85-L88 PolarHBondContact O-N 3.34Å; V85-F89 HydrophobicContact CG1-CE2 4.06Å; V85-F89 WeakPolarHBondContact O-CD2 3.13Å
86G93.1Very high92.9Very high31 Ų3162.5 Ų62.532%0.3233%0.332SS..Hα-helixtrans-58.2-47.517400000112.7F82 V83 F84 L88 F89 T90F82-G86 PolarHBondContact O-N 3.33Å; V83-G86 PolarHBondContact O-N 3.01Å; F84-G86 VanDerWaalsContact C-N 3.31Å; F84-G86 PolarHBondContact O-N 3.31Å; G86-L88 PolarHBondContact O-N 3.12Å; G86-F89 PolarHBondContact O-N 3.3Å; G86-F89 VanDerWaalsContact O-N 3.08Å; G86-T90 PolarHBondContact O-N 3Å; G86-T90 PolarHBondContact O-OG1 2.95Å
87Q92.8Very high92.7Very high13 Ų1360.3 Ų60.36%0.06132%0.322CS..Hα-helixtrans-63.2-26.2177.7-73.1-171.4-45.500112.8V83 F84 V85 F89 L91 F97 S100V83-Q87 HydrophobicContact CG1-CG 4.22Å; V83-Q87 WeakPolarHBondContact O-CB 3.29Å; V83-Q87 VanDerWaalsContact O-CG 3.31Å; V83-Q87 WeakPolarHBondContact O-CG 3.43Å; V83-Q87 PolarHBondContact O-N 3.2Å; F84-Q87 PolarHBondContact O-N 3.49Å; F84-Q87 VanDerWaalsContact O-N 3.16Å; V85-Q87 PolarHBondContact O-N 2.92Å; Q87-F89 PolarHBondContact O-N 2.9Å; Q87-L91 HydrophobicContact CB-CB 4.34Å; Q87-L91 WeakPolarHBondContact O-CB 3.49Å; Q87-L91 PolarHBondContact O-N 2.72Å; Q87-L91 VanDerWaalsContact O-N 3.13Å; Q87-F97 HydrophobicContact CB-CD1 3.72Å; Q87-F97 HydrophobicContact CB-CE1 4Å; Q87-F97 VanDerWaalsContact OE1-CA 3.27Å; Q87-S100 PolarHBondContact OE1-OG 2.96Å
88L90.2Very high92.4Very high45 Ų4563.1 Ų63.124%0.23634%0.34CS..Hα-helixtrans-58.5-37.8173.1-68.7177.8000111.6L5 F84 V85 G86 F97 K157L5-L88 HydrophobicContact CD2-CD2 3.45Å; L5-L88 VanDerWaalsContact CD2-CD2 3.45Å; L5-L88 HydrophobicContact CG-CD2 4.16Å; F84-L88 HydrophobicContact CE1-CD1 4.11Å; F84-L88 HydrophobicContact CE1-CG 4.46Å; F84-L88 HydrophobicContact CE2-CD2 3.88Å; F84-L88 HydrophobicContact CE2-CG 4.27Å; F84-L88 HydrophobicContact CZ-CD1 4.19Å; F84-L88 HydrophobicContact CZ-CD2 3.86Å; F84-L88 HydrophobicContact CZ-CG 4.19Å; F84-L88 WeakPolarHBondContact O-CG 3.39Å; F84-L88 PolarHBondContact O-N 2.96Å; V85-L88 WeakPolarHBondContact O-CB 3.43Å; V85-L88 PolarHBondContact O-N 3.34Å; G86-L88 PolarHBondContact O-N 3.12Å; L88-F97 HydrophobicContact CD2-CE1 3.88Å; L88-F97 HydrophobicContact CD2-CZ 3.97Å; L88-K157 PolarHBondContact O-NZ 3.47Å
89F88.9Confident92.3Very high171 Ų17167.6 Ų67.675%0.7535%0.354SS*.Hα-helixtrans-93.5-39.6-177.8-57.4-71.2000113.2V85 G86 Q87V85-F89 HydrophobicContact CG1-CE2 4.06Å; V85-F89 WeakPolarHBondContact O-CD2 3.13Å; G86-F89 PolarHBondContact O-N 3.3Å; G86-F89 VanDerWaalsContact O-N 3.08Å; Q87-F89 PolarHBondContact O-N 2.9Å
90T89.1Confident92.2Very high113 Ų11364 Ų6469%0.69334%0.335SS*.Hα-helixtrans-87.8-26.2-171.860.40000114.1G86G86-T90 PolarHBondContact O-N 3Å; G86-T90 PolarHBondContact O-OG1 2.95Å
91L88.7Confident92.2Very high30 Ų3064 Ų6416%0.15734%0.335CS..SBendtrans-75.8132.4-170.4-162.476.6000111.7Q87 Q95 R96 F97 K157Q87-L91 HydrophobicContact CB-CB 4.34Å; Q87-L91 WeakPolarHBondContact O-CB 3.49Å; Q87-L91 PolarHBondContact O-N 2.72Å; Q87-L91 VanDerWaalsContact O-N 3.13Å; L91-Q95 HydrophobicContact CD1-CB 3.8Å; L91-Q95 HydrophobicContact CD2-CB 3.7Å; L91-Q95 HydrophobicContact CG-CB 3.56Å; L91-Q95 HydrophobicContact CG-CG 4.45Å; L91-R96 WeakPolarHBondContact CD2-O 3.29Å; L91-F97 HydrophobicContact CD2-CD1 4.42Å; L91-F97 HydrophobicContact CD2-CE1 4.4Å; L91-K157 HydrophobicContact CB-CD 4.28Å; L91-K157 HydrophobicContact CD2-CB 4.4Å; L91-K157 VanDerWaalsContact O-CD 3.29Å; L91-K157 WeakPolarHBondContact O-CD 3.47Å; L91-K157 WeakPolarHBondContact O-CE 3.5Å; L91-K157 PolarHBondContact O-NZ 3Å
92S88.4Confident92.2Very high85 Ų8566.3 Ų66.359%0.59435%0.347SS*.PPolyproline II helixtrans-65.3155.1173.8-50.60000112.1Q95S92-Q95 WeakPolarHBondContact O-CB 3.26Å; S92-Q95 PolarHBondContact O-N 3.48Å
93K83.8Confident92.2Very high126 Ų12661.5 Ų61.555%0.54833%0.326SS..THydrogen-bonded Turntrans-59.4142.4175.7-62.8178.8177.3-1790110.2Q95 T159K93-Q95 VanDerWaalsContact C-N 3.29Å; K93-Q95 PolarHBondContact O-N 3.38Å; K93-T159 HydrophobicContact CD-CG2 3.83Å
94G81.8Confident92.3Very high39 Ų3959.4 Ų59.440%0.40231%0.314SS..THydrogen-bonded Turntrans85.8-14.6-179.600000115.6K157G94-K157 PolarHBondContact N-O 3.06Å
95Q88.9Confident92.4Very high113 Ų11362.3 Ų62.353%0.52833%0.329SS..  trans-79.8162.2177.9-64.9-66.5-32.600112.2L91 S92 K93 R156 K157L91-Q95 HydrophobicContact CD1-CB 3.8Å; L91-Q95 HydrophobicContact CD2-CB 3.7Å; L91-Q95 HydrophobicContact CG-CB 3.56Å; L91-Q95 HydrophobicContact CG-CG 4.45Å; S92-Q95 WeakPolarHBondContact O-CB 3.26Å; S92-Q95 PolarHBondContact O-N 3.48Å; K93-Q95 VanDerWaalsContact C-N 3.29Å; K93-Q95 PolarHBondContact O-N 3.38Å; Q95-R156 WeakPolarHBondContact O-CA 3.35Å; Q95-K157 PolarHBondContact O-N 3.49Å
96R90.5Very high92.7Very high107 Ų10762.9 Ų62.940%0.40433%0.329SS..BIsolated β-bridgetrans-102.6157.8-178.3-68.2170164.4170.82.4112L91 T98 F153 L155 R156L91-R96 WeakPolarHBondContact CD2-O 3.29Å; R96-T98 PolarHBondContact O-N 3.32Å; R96-F153 WeakPolarHBondContact CD-O 3.25Å; R96-F153 PolarHBondContact NE-O 2.96Å; R96-L155 WeakPolarHBondContact CA-O 3.5Å; R96-R156 HydrophobicContact CG-CG 3.86Å
97F93.7Very high92.9Very high2 Ų261.4 Ų61.41%0.00931%0.314CS..  trans-82.145.9177.4-63.6-85000112.1F84 Q87 L88 L91 F99 S100 G101 Y152 L155 K157F84-F97 AromaticContact CD2-CD1 3.62Å; F84-F97 HydrophobicContact CD2-CD1 3.62Å; F84-F97 AromaticContact CD2-CE1 3.93Å; F84-F97 HydrophobicContact CD2-CE1 3.93Å; F84-F97 HydrophobicContact CD2-CG 4.22Å; F84-F97 AromaticContact CE2-CD1 3.8Å; F84-F97 HydrophobicContact CE2-CD1 3.8Å; F84-F97 AromaticContact CE2-CE1 3.72Å; F84-F97 HydrophobicContact CE2-CE1 3.72Å; F84-F97 HydrophobicContact CE2-CG 4.27Å; F84-F97 HydrophobicContact CE2-CZ 4.13Å; Q87-F97 HydrophobicContact CB-CD1 3.72Å; Q87-F97 HydrophobicContact CB-CE1 4Å; Q87-F97 VanDerWaalsContact OE1-CA 3.27Å; L88-F97 HydrophobicContact CD2-CE1 3.88Å; L88-F97 HydrophobicContact CD2-CZ 3.97Å; L91-F97 HydrophobicContact CD2-CD1 4.42Å; L91-F97 HydrophobicContact CD2-CE1 4.4Å; F97-F99 PolarHBondContact O-N 2.94Å; F97-S100 PolarHBondContact O-N 2.94Å; F97-G101 PolarHBondContact O-N 3.49Å; F97-Y152 HydrophobicContact CB-CD1 3.58Å; F97-Y152 HydrophobicContact CB-CE1 4.41Å; F97-Y152 HydrophobicContact CB-CG 4.23Å; F97-Y152 HydrophobicContact CG-CD1 4.18Å; F97-Y152 PolarHBondContact N-O 2.89Å; F97-L155 HydrophobicContact CD2-CD2 4.11Å; F97-L155 HydrophobicContact CE2-CD2 3.83Å; F97-L155 HydrophobicContact CE2-CG 4.43Å; F97-K157 HydrophobicContact CZ-CB 4.49Å
98T93.9Very high93.2Very high59 Ų5960.9 Ų60.936%0.36231%0.312SS..Hα-helixtrans-59.1-43.5-167.2-52.70000113.1R96 G101 I102 F153R96-T98 PolarHBondContact O-N 3.32Å; T98-G101 WeakPolarHBondContact O-CA 3.41Å; T98-G101 PolarHBondContact O-N 2.92Å; T98-I102 HydrophobicContact CG2-CD1 4.2Å; T98-I102 WeakPolarHBondContact O-CG1 3.44Å; T98-I102 PolarHBondContact O-N 3.46Å; T98-F153 HydrophobicContact CG2-CD1 4.21Å; T98-F153 HydrophobicContact CG2-CE1 3.93Å; T98-F153 WeakPolarHBondContact O-CE1 3.44Å
99F95.3Very high93.6Very high132 Ų13262.2 Ų62.258%0.57932%0.319SS*.Hα-helixtrans-64.6-44.4-179.6-69.7-67.5000112.5V83 F97 G101 I102 F103V83-F99 HydrophobicContact CG1-CB 3.71Å; F97-F99 PolarHBondContact O-N 2.94Å; F99-G101 VanDerWaalsContact C-N 3.26Å; F99-G101 PolarHBondContact O-N 3.48Å; F99-I102 HydrophobicContact CD1-CD1 4.47Å; F99-I102 PolarHBondContact O-N 3.4Å; F99-F103 VanDerWaalsContact O-CD2 3.25Å; F99-F103 WeakPolarHBondContact O-CD2 3.44Å; F99-F103 PolarHBondContact O-N 3.06Å; F99-F103 VanDerWaalsContact O-N 3.08Å
100S96.9Very high94.1Very high0 Ų054.9 Ų54.90%029%0.289CS..Hα-helixtrans-59.5-39.2171.7-64.80000112.3G80 F84 Q87 F97 I102 F103 Q104G80-S100 PolarHBondContact O-OG 3.5Å; G80-S100 VanDerWaalsContact O-OG 3.09Å; F84-S100 WeakPolarHBondContact CA-OG 3.12Å; F84-S100 VanDerWaalsContact CB-OG 3.27Å; F84-S100 WeakPolarHBondContact CB-OG 3.34Å; F84-S100 PolarHBondContact N-OG 3.3Å; Q87-S100 PolarHBondContact OE1-OG 2.96Å; F97-S100 PolarHBondContact O-N 2.94Å; S100-I102 PolarHBondContact O-N 3.35Å; S100-F103 PolarHBondContact O-N 3Å; S100-Q104 WeakPolarHBondContact O-CB 3.33Å; S100-Q104 PolarHBondContact O-N 3Å
101G97.3Very high94.5Very high0 Ų049.5 Ų49.50%026%0.256CS..Hα-helixtrans-60.4-41.3174.300000113.5F97 T98 F99 Q104 L105 S149 Y152 F153F97-G101 PolarHBondContact O-N 3.49Å; T98-G101 WeakPolarHBondContact O-CA 3.41Å; T98-G101 PolarHBondContact O-N 2.92Å; F99-G101 VanDerWaalsContact C-N 3.26Å; F99-G101 PolarHBondContact O-N 3.48Å; G101-Q104 PolarHBondContact O-N 3.43Å; G101-L105 WeakPolarHBondContact O-CB 3.34Å; G101-L105 PolarHBondContact O-N 3.27Å; G101-S149 PolarHBondContact O-OG 2.9Å; G101-Y152 VanDerWaalsContact CA-CB 3.49Å; G101-F153 VanDerWaalsContact C-CZ 3.43Å
102I98.4Very high95Very high73 Ų7350.8 Ų50.837%0.37426%0.262SS..Hα-helixtrans-63.8-50.4176.6-68.9165.8000110.7T98 F99 S100 Q104 L105 L106 F153T98-I102 HydrophobicContact CG2-CD1 4.2Å; T98-I102 WeakPolarHBondContact O-CG1 3.44Å; T98-I102 PolarHBondContact O-N 3.46Å; F99-I102 HydrophobicContact CD1-CD1 4.47Å; F99-I102 PolarHBondContact O-N 3.4Å; S100-I102 PolarHBondContact O-N 3.35Å; I102-Q104 VanDerWaalsContact C-N 3.27Å; I102-Q104 PolarHBondContact O-N 3.48Å; I102-L105 WeakPolarHBondContact O-CB 3.47Å; I102-L105 PolarHBondContact O-N 3.16Å; I102-L105 VanDerWaalsContact O-N 3.16Å; I102-L106 HydrophobicContact CG2-CD1 4.27Å; I102-L106 WeakPolarHBondContact O-CG 3.4Å; I102-L106 PolarHBondContact O-N 3.47Å; I102-F153 HydrophobicContact CG1-CE1 4.06Å; I102-F153 HydrophobicContact CG1-CZ 4.03Å
103F98.6Very high95.5Very high54 Ų5450.4 Ų50.424%0.23725%0.252CS..Hα-helixtrans-59.1-41.3177.9-81.4-65.6000111.9F76 L79 V83 F99 S100 L105 L106 A107F76-F103 HydrophobicContact CB-CD1 4.49Å; F76-F103 AromaticContact CD1-CD1 3.79Å; F76-F103 HydrophobicContact CD1-CD1 3.79Å; F76-F103 HydrophobicContact CD1-CE1 4.06Å; F76-F103 HydrophobicContact CE1-CE1 4.48Å; L79-F103 HydrophobicContact CB-CD1 4.19Å; L79-F103 HydrophobicContact CB-CE1 4.25Å; L79-F103 HydrophobicContact CD1-CE1 4.21Å; V83-F103 HydrophobicContact CB-CD2 4.48Å; V83-F103 HydrophobicContact CG2-CD2 4.08Å; V83-F103 HydrophobicContact CG2-CE2 3.86Å; F99-F103 VanDerWaalsContact O-CD2 3.25Å; F99-F103 WeakPolarHBondContact O-CD2 3.44Å; F99-F103 PolarHBondContact O-N 3.06Å; F99-F103 VanDerWaalsContact O-N 3.08Å; S100-F103 PolarHBondContact O-N 3Å; F103-L105 VanDerWaalsContact C-N 3.34Å; F103-L105 PolarHBondContact O-N 2.84Å; F103-L106 PolarHBondContact O-N 2.88Å; F103-A107 PolarHBondContact O-N 3.38Å
104Q98.3Very high96.2Very high0 Ų044.4 Ų44.40%023%0.226CC..Hα-helixtrans-69.8-32.7178.3-15968.6-11.700112.8H12 S77 S100 G101 I102 C108 T145 Y152H12-Q104 PolarHBondContact CE1-OE1 3.02Å; H12-Q104 PolarHBondContact NE2-OE1 3.26Å; S77-Q104 PolarHBondContact OG-NE2 3.34Å; S77-Q104 PolarHBondContact OG-OE1 2.99Å; S100-Q104 WeakPolarHBondContact O-CB 3.33Å; S100-Q104 PolarHBondContact O-N 3Å; G101-Q104 PolarHBondContact O-N 3.43Å; I102-Q104 VanDerWaalsContact C-N 3.27Å; I102-Q104 PolarHBondContact O-N 3.48Å; Q104-C108 WeakPolarHBondContact O-CB 3.49Å; Q104-C108 PolarHBondContact O-N 3.24Å; Q104-T145 VanDerWaalsContact CG-O 3.25Å; Q104-T145 WeakPolarHBondContact CG-O 3.34Å; Q104-Y152 HydrophobicContact CB-CD2 4.39Å
105L98.6Very high97Very high61 Ų6142.5 Ų42.532%0.31921%0.207SC..Hα-helixtrans-66.7-42.7172.2-173.559.8000111.5G101 I102 F103 A107 C108 L109 S149 F153G101-L105 WeakPolarHBondContact O-CB 3.34Å; G101-L105 PolarHBondContact O-N 3.27Å; I102-L105 WeakPolarHBondContact O-CB 3.47Å; I102-L105 PolarHBondContact O-N 3.16Å; I102-L105 VanDerWaalsContact O-N 3.16Å; F103-L105 VanDerWaalsContact C-N 3.34Å; F103-L105 PolarHBondContact O-N 2.84Å; L105-A107 VanDerWaalsContact C-N 3.34Å; L105-C108 WeakPolarHBondContact O-CB 3.4Å; L105-C108 PolarHBondContact O-N 3.03Å; L105-L109 HydrophobicContact CG-CD1 4.38Å; L105-L109 WeakPolarHBondContact O-CG 3.18Å; L105-L109 PolarHBondContact O-N 3.48Å; L105-S149 WeakPolarHBondContact CB-OG 3.49Å; L105-F153 HydrophobicContact CD2-CE2 4.38Å
106L98.8Very high97.4Very high66 Ų6639.6 Ų39.635%0.34620%0.199SC..Hα-helixtrans-61.8-44.2175.8-69174.8000110.9F76 I102 F103 C108 L109 C110F76-L106 HydrophobicContact CB-CB 4.3Å; F76-L106 HydrophobicContact CD1-CD1 4.31Å; F76-L106 HydrophobicContact CD2-CB 3.73Å; F76-L106 HydrophobicContact CE1-CD1 4.15Å; F76-L106 HydrophobicContact CE2-CB 4.12Å; F76-L106 HydrophobicContact CE2-CD1 4.46Å; F76-L106 HydrophobicContact CG-CB 3.96Å; F76-L106 HydrophobicContact CZ-CD1 4.23Å; I102-L106 HydrophobicContact CG2-CD1 4.27Å; I102-L106 WeakPolarHBondContact O-CG 3.4Å; I102-L106 PolarHBondContact O-N 3.47Å; F103-L106 PolarHBondContact O-N 2.88Å; L106-C108 VanDerWaalsContact C-N 3.33Å; L106-C108 PolarHBondContact O-N 3.44Å; L106-L109 PolarHBondContact O-N 2.91Å; L106-C110 WeakPolarHBondContact O-CB 3.44Å; L106-C110 PolarHBondContact O-N 3.2Å; L106-C110 PolarHBondContact O-SG 3.28Å
107A98.8Very high97.7Very high0 Ų036.3 Ų36.30%019%0.189CC..Hα-helixtrans-59.1-44.617500000112.4A73 F76 F103 L105 C110 I111 T145A73-A107 WeakPolarHBondContact CB-O 3.49Å; A73-A107 WeakPolarHBondContact O-CB 3.49Å; F76-A107 HydrophobicContact CB-CB 4.01Å; F103-A107 PolarHBondContact O-N 3.38Å; L105-A107 VanDerWaalsContact C-N 3.34Å; A107-C110 PolarHBondContact O-N 3.22Å; A107-I111 WeakPolarHBondContact O-CG2 3.12Å; A107-I111 PolarHBondContact O-N 2.95Å; A107-T145 HydrophobicContact CB-CG2 4.45Å
108C98.7Very high97.9Very high2 Ų236.2 Ų36.21%0.01419%0.188CC..Hα-helixtrans-56.9-48.4175.2173.30000112.3Q104 L105 L106 I111 M112 F142 T145Q104-C108 WeakPolarHBondContact O-CB 3.49Å; Q104-C108 PolarHBondContact O-N 3.24Å; L105-C108 WeakPolarHBondContact O-CB 3.4Å; L105-C108 PolarHBondContact O-N 3.03Å; L106-C108 VanDerWaalsContact C-N 3.33Å; L106-C108 PolarHBondContact O-N 3.44Å; C108-I111 WeakPolarHBondContact O-CG2 3.41Å; C108-M112 VanDerWaalsContact O-CB 3.29Å; C108-M112 WeakPolarHBondContact O-CB 3.42Å; C108-M112 PolarHBondContact O-N 3.47Å; C108-M112 VanDerWaalsContact O-N 3.11Å; C108-F142 WeakPolarHBondContact SG-CD2 3.29Å; C108-F142 VanDerWaalsContact SG-CE2 3.52Å; C108-T145 VanDerWaalsContact CA-OG1 3.26Å; C108-T145 WeakPolarHBondContact CA-OG1 3.42Å; C108-T145 VanDerWaalsContact CB-OG1 3.3Å; C108-T145 WeakPolarHBondContact CB-OG1 3.45Å
109L98.7Very high97.8Very high74 Ų7435.7 Ų35.739%0.38719%0.185SC..Hα-helixtrans-65.2-43.7179.7-68.4173.9000111.2L105 L106 M112 I113L105-L109 HydrophobicContact CG-CD1 4.38Å; L105-L109 WeakPolarHBondContact O-CG 3.18Å; L105-L109 PolarHBondContact O-N 3.48Å; L106-L109 PolarHBondContact O-N 2.91Å; L109-M112 HydrophobicContact CD2-CE 3.85Å; L109-M112 PolarHBondContact O-N 2.87Å; L109-I113 WeakPolarHBondContact O-CB 3.3Å; L109-I113 WeakPolarHBondContact O-CD1 3.44Å; L109-I113 WeakPolarHBondContact O-CG1 3.47Å; L109-I113 PolarHBondContact O-N 2.68Å
110C98.8Very high97.8Very high16 Ų1633.7 Ų33.711%0.10818%0.181CC..Hα-helixtrans-59.2-50.1178.7-73.60000112.4S69 L72 A73 L106 A107 M112 I113 A114S69-C110 WeakPolarHBondContact CB-O 3.41Å; S69-C110 WeakPolarHBondContact O-CB 3.31Å; L72-C110 HydrophobicContact CB-CB 4.4Å; A73-C110 HydrophobicContact CB-CB 3.85Å; L106-C110 WeakPolarHBondContact O-CB 3.44Å; L106-C110 PolarHBondContact O-N 3.2Å; L106-C110 PolarHBondContact O-SG 3.28Å; A107-C110 PolarHBondContact O-N 3.22Å; C110-M112 PolarHBondContact O-N 3.32Å; C110-I113 PolarHBondContact O-N 2.86Å; C110-A114 PolarHBondContact O-N 2.94Å
111I98.8Very high97.7Very high0 Ų036.2 Ų36.20%019%0.193CC..Hα-helixtrans-69.2-34.8-179.1-166.663.9000112.3L19 A73 A107 C108 I113 A114 A115 A138 F142L19-I111 HydrophobicContact CD2-CB 3.76Å; L19-I111 HydrophobicContact CD2-CD1 3.91Å; L19-I111 HydrophobicContact CD2-CG1 3.64Å; L19-I111 HydrophobicContact CD2-CG2 4.1Å; A73-I111 HydrophobicContact CB-CB 3.94Å; A107-I111 WeakPolarHBondContact O-CG2 3.12Å; A107-I111 PolarHBondContact O-N 2.95Å; C108-I111 WeakPolarHBondContact O-CG2 3.41Å; I111-I113 VanDerWaalsContact C-N 3.34Å; I111-I113 PolarHBondContact O-N 3.37Å; I111-A114 PolarHBondContact O-N 3.29Å; I111-A115 WeakPolarHBondContact O-CB 3.44Å; I111-A115 PolarHBondContact O-N 3.37Å; I111-A138 HydrophobicContact CD1-CB 3.9Å; I111-A138 HydrophobicContact CG1-CB 4.02Å; I111-F142 HydrophobicContact CG2-CB 3.98Å
112M98.6Very high97.4Very high58 Ų5836.4 Ų36.429%0.28619%0.194SC..Hα-helixtrans-61.6-43.5174-177-174.968.200111.2C108 L109 C110 S116 W139 F142C108-M112 VanDerWaalsContact O-CB 3.29Å; C108-M112 WeakPolarHBondContact O-CB 3.42Å; C108-M112 PolarHBondContact O-N 3.47Å; C108-M112 VanDerWaalsContact O-N 3.11Å; L109-M112 HydrophobicContact CD2-CE 3.85Å; L109-M112 PolarHBondContact O-N 2.87Å; C110-M112 PolarHBondContact O-N 3.32Å; M112-S116 VanDerWaalsContact O-CB 3.23Å; M112-S116 WeakPolarHBondContact O-CB 3.48Å; M112-S116 PolarHBondContact O-N 2.94Å; M112-S116 PolarHBondContact O-OG 3.48Å; M112-W139 HydrophobicContact CG-CZ3 4.3Å; M112-F142 HydrophobicContact CB-CD2 3.75Å; M112-F142 HydrophobicContact CB-CE2 4.13Å; M112-F142 HydrophobicContact CB-CG 4.45Å; M112-F142 HydrophobicContact CG-CD2 4.13Å; M112-F142 HydrophobicContact CG-CE2 4.1Å; M112-F142 HydrophobicContact SD-CD2 4.28Å; M112-F142 HydrophobicContact SD-CE2 3.67Å; M112-F142 HydrophobicContact SD-CZ 4.18Å
113I98.6Very high96.9Very high76 Ų7633.5 Ų33.539%0.3918%0.179SC..Hα-helixtrans-62-48.9176-70.3163.3000110.3L109 C110 I111 A115 S116 I117L109-I113 WeakPolarHBondContact O-CB 3.3Å; L109-I113 WeakPolarHBondContact O-CD1 3.44Å; L109-I113 WeakPolarHBondContact O-CG1 3.47Å; L109-I113 PolarHBondContact O-N 2.68Å; C110-I113 PolarHBondContact O-N 2.86Å; I111-I113 VanDerWaalsContact C-N 3.34Å; I111-I113 PolarHBondContact O-N 3.37Å; I113-A115 PolarHBondContact O-N 3.39Å; I113-S116 PolarHBondContact O-N 3.01Å; I113-I117 HydrophobicContact CG2-CD1 3.64Å; I113-I117 HydrophobicContact CG2-CG1 4.36Å; I113-I117 WeakPolarHBondContact O-CB 3.11Å; I113-I117 WeakPolarHBondContact O-CG1 3.43Å; I113-I117 PolarHBondContact O-N 2.83Å
114A98.5Very high96.1Very high0 Ų037.2 Ų37.20%020%0.195CC..Hα-helixtrans-56.6-51.5178.800000111.8W28 V66 C110 I111 S116 Y118W28-A114 HydrophobicContact CH2-CB 4.44Å; V66-A114 HydrophobicContact CG1-CB 4.24Å; C110-A114 PolarHBondContact O-N 2.94Å; I111-A114 PolarHBondContact O-N 3.29Å; A114-S116 PolarHBondContact O-N 2.86Å; A114-Y118 WeakPolarHBondContact O-CB 3.42Å; A114-Y118 PolarHBondContact O-N 3.46Å
115A97.9Very high95.4Very high0 Ų044.9 Ų44.90%024%0.236CC..Hα-helixtrans-65.3-40-179.600000112.3I111 I113 Y118 T119 F135 A138 W139I111-A115 WeakPolarHBondContact O-CB 3.44Å; I111-A115 PolarHBondContact O-N 3.37Å; I113-A115 PolarHBondContact O-N 3.39Å; A115-Y118 PolarHBondContact O-N 2.91Å; A115-T119 WeakPolarHBondContact O-CB 3.19Å; A115-T119 PolarHBondContact O-N 3.05Å; A115-T119 PolarHBondContact O-OG1 2.64Å; A115-F135 HydrophobicContact CB-CE2 4.48Å; A115-A138 HydrophobicContact CB-CB 4.42Å; A115-W139 HydrophobicContact CB-CD2 4.16Å; A115-W139 HydrophobicContact CB-CH2 4.34Å; A115-W139 HydrophobicContact CB-CZ2 3.75Å
116S97.9Very high94.7Very high52 Ų5245.4 Ų45.436%0.36424%0.237SC..Hα-helixtrans-66.6-46.5-179.9-57.90000112M112 I113 A114 Y118 T119 D120M112-S116 VanDerWaalsContact O-CB 3.23Å; M112-S116 WeakPolarHBondContact O-CB 3.48Å; M112-S116 PolarHBondContact O-N 2.94Å; M112-S116 PolarHBondContact O-OG 3.48Å; I113-S116 PolarHBondContact O-N 3.01Å; A114-S116 PolarHBondContact O-N 2.86Å; S116-Y118 VanDerWaalsContact C-N 3.31Å; S116-Y118 PolarHBondContact O-N 3.27Å; S116-T119 PolarHBondContact O-N 3.14Å; S116-D120 PolarHBondContact O-N 2.88Å; S116-D120 VanDerWaalsContact O-N 3.12Å
117I97.8Very high93.7Very high37 Ų3747.3 Ų47.319%0.1926%0.256CS..Hα-helixtrans-60.9-45174.8-68.1172.8000109.8Y62 A65 V66 I113 T119 D120 I121 F122Y62-I117 HydrophobicContact CD1-CG2 3.78Å; Y62-I117 HydrophobicContact CG-CG2 4.34Å; A65-I117 HydrophobicContact CB-CD1 4.08Å; V66-I117 HydrophobicContact CG2-CB 3.89Å; V66-I117 HydrophobicContact CG2-CG2 3.61Å; I113-I117 HydrophobicContact CG2-CD1 3.64Å; I113-I117 HydrophobicContact CG2-CG1 4.36Å; I113-I117 WeakPolarHBondContact O-CB 3.11Å; I113-I117 WeakPolarHBondContact O-CG1 3.43Å; I113-I117 PolarHBondContact O-N 2.83Å; I117-T119 VanDerWaalsContact C-N 3.27Å; I117-T119 PolarHBondContact O-N 2.93Å; I117-D120 PolarHBondContact O-N 3.45Å; I117-I121 HydrophobicContact CG2-CG1 4.01Å; I117-I121 WeakPolarHBondContact O-CB 3.41Å; I117-I121 WeakPolarHBondContact O-CG1 3.32Å; I117-I121 PolarHBondContact O-N 2.73Å; I117-F122 HydrophobicContact CG2-CE2 4.35Å
118Y96.2Very high93.1Very high0 Ų053.8 Ų53.80%029%0.291CS..Hα-helixtrans-58.3-43.1179.8-166-90.8000111.9W28 W29 V66 A114 A115 S116 F122 H123 Y131 F135W28-Y118 HydrophobicContact CB-CE1 4.01Å; W28-Y118 HydrophobicContact CB-CE2 4.33Å; W28-Y118 WeakPolarHBondContact CB-OH 3.44Å; W28-Y118 AromaticContact CE3-CD1 3.67Å; W28-Y118 HydrophobicContact CE3-CD1 3.67Å; W28-Y118 AromaticContact CE3-CD2 3.6Å; W28-Y118 HydrophobicContact CE3-CD2 3.6Å; W28-Y118 AromaticContact CE3-CE1 3.97Å; W28-Y118 HydrophobicContact CE3-CE1 3.97Å; W28-Y118 AromaticContact CE3-CE2 3.9Å; W28-Y118 HydrophobicContact CE3-CE2 3.9Å; W28-Y118 AromaticContact CE3-CG 3.46Å; W28-Y118 HydrophobicContact CE3-CG 3.46Å; W28-Y118 VanDerWaalsContact CE3-CG 3.46Å; W28-Y118 HydrophobicContact CZ3-CD1 4.26Å; W28-Y118 AromaticContact CZ3-CD2 3.98Å; W28-Y118 HydrophobicContact CZ3-CD2 3.98Å; W28-Y118 AromaticContact CZ3-CG 3.72Å; W28-Y118 HydrophobicContact CZ3-CG 3.72Å; W29-Y118 HydrophobicContact CB-CE1 4.5Å; W29-Y118 WeakPolarHBondContact CB-OH 3.44Å; V66-Y118 HydrophobicContact CG1-CD2 4.3Å; A114-Y118 WeakPolarHBondContact O-CB 3.42Å; A114-Y118 PolarHBondContact O-N 3.46Å; A115-Y118 PolarHBondContact O-N 2.91Å; S116-Y118 VanDerWaalsContact C-N 3.31Å; S116-Y118 PolarHBondContact O-N 3.27Å; Y118-F122 HydrophobicContact CD2-CB 4.36Å; Y118-F122 HydrophobicContact CD2-CD2 4.03Å; Y118-F122 HydrophobicContact CD2-CG 4.26Å; Y118-F122 HydrophobicContact CE2-CB 4.34Å; Y118-F122 HydrophobicContact CE2-CG 4.4Å; Y118-F122 HydrophobicContact CG-CD2 4.39Å; Y118-F122 WeakPolarHBondContact O-CB 3.36Å; Y118-F122 PolarHBondContact O-N 3.49Å; Y118-F122 VanDerWaalsContact O-N 3.1Å; Y118-H123 AromaticContact CE1-CD2 3.89Å; Y118-H123 AromaticContact CZ-CD2 3.83Å; Y118-H123 AromaticContact CZ-NE2 3.99Å; Y118-H123 PolarHBondContact OH-NE2 3.05Å; Y118-Y131 AromaticContact CD1-CE1 3.99Å; Y118-Y131 HydrophobicContact CD1-CE1 3.99Å; Y118-Y131 HydrophobicContact CE1-CD1 4.36Å; Y118-Y131 HydrophobicContact CE1-CE1 4.05Å; Y118-F135 AromaticContact CD1-CD2 3.88Å; Y118-F135 HydrophobicContact CD1-CD2 3.88Å; Y118-F135 AromaticContact CD1-CE2 3.98Å; Y118-F135 HydrophobicContact CD1-CE2 3.98Å; Y118-F135 HydrophobicContact CE1-CD2 4.44Å
119T93.6Very high92.9Very high49 Ų4954.6 Ų54.630%0.30130%0.3SS..Hα-helixtrans-65.4-42.5-179.1-48.70000112.8A115 S116 I117 Y131 F135A115-T119 WeakPolarHBondContact O-CB 3.19Å; A115-T119 PolarHBondContact O-N 3.05Å; A115-T119 PolarHBondContact O-OG1 2.64Å; S116-T119 PolarHBondContact O-N 3.14Å; I117-T119 VanDerWaalsContact C-N 3.27Å; I117-T119 PolarHBondContact O-N 2.93Å; T119-Y131 WeakPolarHBondContact CA-OH 3.44Å; T119-Y131 PolarHBondContact O-OH 3.1Å; T119-F135 WeakPolarHBondContact OG1-CE2 3.31Å; T119-F135 WeakPolarHBondContact OG1-CZ 3.39Å
120D94.3Very high92.7Very high90 Ų9057.4 Ų57.448%0.48131%0.305SS..Hα-helixtrans-84.5-34.7-173.7-17353.2000113.2S116 I117 K124S116-D120 PolarHBondContact O-N 2.88Å; S116-D120 VanDerWaalsContact O-N 3.12Å; I117-D120 PolarHBondContact O-N 3.45Å; D120-K124 WeakPolarHBondContact O-CD 3.32Å; D120-K124 IonicContact OD1-NZ 2.72Å; D120-K124 PolarHBondContact OD1-NZ 3.35Å
121I94.5Very high92.6Very high52 Ų5259.9 Ų59.927%0.26731%0.313SS..Hα-helixtrans-93-39.2-173.2-57.1-59.6000111.9P59 Y62 I117P59-I121 HydrophobicContact CB-CG2 4.35Å; P59-I121 HydrophobicContact CG-CG2 3.91Å; Y62-I121 HydrophobicContact CD1-CD1 4.13Å; Y62-I121 HydrophobicContact CD1-CG1 3.73Å; Y62-I121 HydrophobicContact CD2-CG2 4.12Å; Y62-I121 HydrophobicContact CE1-CD1 3.91Å; Y62-I121 HydrophobicContact CE1-CG1 4.02Å; Y62-I121 HydrophobicContact CE2-CD1 4.38Å; Y62-I121 HydrophobicContact CG-CB 4.49Å; Y62-I121 HydrophobicContact CG-CD1 4.43Å; Y62-I121 HydrophobicContact CG-CG1 3.97Å; Y62-I121 HydrophobicContact CG-CG2 3.99Å; I117-I121 HydrophobicContact CG2-CG1 4.01Å; I117-I121 WeakPolarHBondContact O-CB 3.41Å; I117-I121 WeakPolarHBondContact O-CG1 3.32Å; I117-I121 PolarHBondContact O-N 2.73Å
122F92.2Very high92.5Very high4 Ų460 Ų602%0.01832%0.315CS..SBendtrans-104141.9-172.7-55.5-93.5000110.4Y58 L63 V66 I117 Y118 K124Y58-F122 HydrophobicContact CD1-CD1 4.21Å; Y58-F122 HydrophobicContact CD1-CE1 4.47Å; Y58-F122 AromaticContact CD2-CD1 3.44Å; Y58-F122 HydrophobicContact CD2-CD1 3.44Å; Y58-F122 VanDerWaalsContact CD2-CD1 3.44Å; Y58-F122 AromaticContact CD2-CE1 3.39Å; Y58-F122 HydrophobicContact CD2-CE1 3.39Å; Y58-F122 HydrophobicContact CE1-CD1 4.3Å; Y58-F122 AromaticContact CE2-CD1 3.53Å; Y58-F122 HydrophobicContact CE2-CD1 3.53Å; Y58-F122 AromaticContact CE2-CE1 3.97Å; Y58-F122 HydrophobicContact CE2-CE1 3.97Å; Y58-F122 AromaticContact CG-CD1 3.79Å; Y58-F122 HydrophobicContact CG-CD1 3.79Å; Y58-F122 AromaticContact CG-CE1 3.68Å; Y58-F122 HydrophobicContact CG-CE1 3.68Å; Y58-F122 AromaticContact CZ-CD1 3.98Å; L63-F122 HydrophobicContact CB-CE1 4.3Å; L63-F122 HydrophobicContact CB-CZ 3.9Å; V66-F122 HydrophobicContact CG2-CE2 4.3Å; I117-F122 HydrophobicContact CG2-CE2 4.35Å; Y118-F122 HydrophobicContact CD2-CB 4.36Å; Y118-F122 HydrophobicContact CD2-CD2 4.03Å; Y118-F122 HydrophobicContact CD2-CG 4.26Å; Y118-F122 HydrophobicContact CE2-CB 4.34Å; Y118-F122 HydrophobicContact CE2-CG 4.4Å; Y118-F122 HydrophobicContact CG-CD2 4.39Å; Y118-F122 WeakPolarHBondContact O-CB 3.36Å; Y118-F122 PolarHBondContact O-N 3.49Å; Y118-F122 VanDerWaalsContact O-N 3.1Å; F122-K124 PolarHBondContact O-N 2.92Å
123H87.3Confident92.4Very high13 Ų1361.6 Ų61.66%0.0632%0.321CS..SBendtrans61.43.8174.3-54.2-70.6000117.1W29 Y58 Y118 N125 E126W29-H123 VanDerWaalsContact CB-NE2 3.34Å; W29-H123 WeakPolarHBondContact CB-NE2 3.28Å; W29-H123 AromaticContact CD1-CE1 3.08Å; W29-H123 AromaticContact CD1-CG 3.85Å; W29-H123 AromaticContact CD1-ND1 3.28Å; W29-H123 VanDerWaalsContact CD1-ND1 3.28Å; W29-H123 AromaticContact CD1-NE2 3.61Å; W29-H123 HydrophobicContact CD2-CB 3.68Å; W29-H123 AromaticContact CD2-CD2 3.7Å; W29-H123 AromaticContact CD2-CE1 3.95Å; W29-H123 AromaticContact CD2-CG 3.38Å; W29-H123 AromaticContact CD2-ND1 3.59Å; W29-H123 AromaticContact CE2-CG 3.56Å; W29-H123 AromaticContact CE2-ND1 3.41Å; W29-H123 HydrophobicContact CE3-CB 3.65Å; W29-H123 AromaticContact CE3-CG 3.8Å; W29-H123 HydrophobicContact CG-CB 4.38Å; W29-H123 AromaticContact CG-CD2 3.5Å; W29-H123 VanDerWaalsContact CG-CD2 3.5Å; W29-H123 AromaticContact CG-CE1 3.34Å; W29-H123 AromaticContact CG-CG 3.56Å; W29-H123 AromaticContact CG-ND1 3.5Å; W29-H123 AromaticContact CG-NE2 3.39Å; W29-H123 HydrophobicContact CH2-CB 3.74Å; W29-H123 HydrophobicContact CZ2-CB 3.74Å; W29-H123 HydrophobicContact CZ3-CB 3.69Å; W29-H123 AromaticContact NE1-CE1 3.48Å; W29-H123 PolarHBondContact NE1-CE1 3.32Å; W29-H123 AromaticContact NE1-CG 3.79Å; W29-H123 AromaticContact NE1-ND1 3.16Å; W29-H123 PolarHBondContact NE1-ND1 2.82Å; W29-H123 VanDerWaalsContact NE1-ND1 3.16Å; Y58-H123 AromaticContact CZ-NE2 3.91Å; Y58-H123 PolarHBondContact OH-CE1 2.93Å; Y58-H123 PolarHBondContact OH-NE2 3.28Å; Y118-H123 AromaticContact CE1-CD2 3.89Å; Y118-H123 AromaticContact CZ-CD2 3.83Å; Y118-H123 AromaticContact CZ-NE2 3.99Å; Y118-H123 PolarHBondContact OH-NE2 3.05Å; H123-N125 PolarHBondContact O-N 3.37Å; H123-N125 VanDerWaalsContact O-N 3.14Å; H123-E126 HydrophobicContact CB-CB 4.49Å; H123-E126 IonicContact CE1-OE1 3.76Å; H123-E126 IonicContact CE1-OE2 3.56Å; H123-E126 IonicContact CG-OE2 3.92Å; H123-E126 IonicContact ND1-OE1 3.19Å; H123-E126 PolarHBondContact ND1-OE1 3.23Å; H123-E126 IonicContact ND1-OE2 2.81Å; H123-E126 PolarHBondContact ND1-OE2 3.36Å; H123-E126 PolarHBondContact O-N 3.15Å
124K82.6Confident92.4Very high131 Ų13158 Ų5857%0.5730%0.302SS*.THydrogen-bonded Turntrans-56.7-30.1178.7-175.2167177.8175.40114.6D120 F122D120-K124 WeakPolarHBondContact O-CD 3.32Å; D120-K124 IonicContact OD1-NZ 2.72Å; D120-K124 PolarHBondContact OD1-NZ 3.35Å; F122-K124 PolarHBondContact O-N 2.92Å
125N82.4Confident92.4Very high161 Ų16158.6 Ų58.686%0.86131%0.305SS*.THydrogen-bonded Turntrans-106.66.3-179.8-61.8-30000113.1H123H123-N125 PolarHBondContact O-N 3.37Å; H123-N125 VanDerWaalsContact O-N 3.14Å
126E83.1Confident92.4Very high72 Ų7263 Ų6334%0.33633%0.327SS..  trans-92.7110.8177.5-68-174.3-162.800109.4W29 H123 D128W29-E126 HydrophobicContact CZ2-CB 3.86Å; W29-E126 PolarHBondContact NE1-OE2 3.32Å; H123-E126 HydrophobicContact CB-CB 4.49Å; H123-E126 IonicContact CE1-OE1 3.76Å; H123-E126 IonicContact CE1-OE2 3.56Å; H123-E126 IonicContact CG-OE2 3.92Å; H123-E126 IonicContact ND1-OE1 3.19Å; H123-E126 PolarHBondContact ND1-OE1 3.23Å; H123-E126 IonicContact ND1-OE2 2.81Å; H123-E126 PolarHBondContact ND1-OE2 3.36Å; H123-E126 PolarHBondContact O-N 3.15Å; E126-D128 VanDerWaalsContact C-N 3.34Å
127S78.3Confident92.4Very high107 Ų10762.2 Ų62.275%0.74832%0.319SS*.SBendtrans-77-21.2179.357.60000113.8
128D87.6Confident92.4Very high135 Ų13560.4 Ų60.472%0.72231%0.31SS*.SBendtrans-107.733.1-162.5-69.36000113.1T31 E126T31-D128 WeakPolarHBondContact CB-O 3.33Å; T31-D128 VanDerWaalsContact CG2-O 3.27Å; T31-D128 WeakPolarHBondContact CG2-O 3.36Å; E126-D128 VanDerWaalsContact C-N 3.34Å
129G92.9Very high92.6Very high20 Ų2064.6 Ų64.621%0.20633%0.326CS..  trans-150179.5177.100000113.9W29 M30W29-G129 VanDerWaalsContact CH2-C 3.45Å; W29-G129 VanDerWaalsContact CZ2-C 3.4Å; M30-G129 CarbonylContact O-C 3.43Å; M30-G129 WeakPolarHBondContact O-CA 3.46Å
130W95.3Very high92.8Very high132 Ų13265.4 Ų65.450%0.533%0.328SS..EExtended strand (participates in β ladder)trans-147.3156179.163.195.4000111.4M30 K32 G132M30-W130 HydrophobicContact CB-CD2 4.09Å; M30-W130 HydrophobicContact CB-CG 4.44Å; M30-W130 HydrophobicContact CB-CH2 4.49Å; M30-W130 HydrophobicContact CB-CZ2 3.77Å; M30-W130 PolarHBondContact N-O 2.97Å; M30-W130 PolarHBondContact O-N 2.94Å; K32-W130 HydrophobicContact CG-CH2 4.44Å; W130-G132 PolarHBondContact O-N 3.39Å
131Y95.8Very high93Very high68 Ų6861.1 Ų61.127%0.26731%0.305SS..EExtended strand (participates in β ladder)trans-67.2125.5172.1-67.4-72.6000110.7W28 W29 Y118 T119 F135W28-Y131 WeakPolarHBondContact O-CA 3.42Å; W29-Y131 AromaticContact CE3-CD1 3.98Å; W29-Y131 HydrophobicContact CE3-CD1 3.98Å; W29-Y131 HydrophobicContact CE3-CE1 4.05Å; W29-Y131 HydrophobicContact CE3-CG 4.29Å; W29-Y131 HydrophobicContact CZ3-CD1 4.32Å; W29-Y131 HydrophobicContact CZ3-CD2 4.28Å; W29-Y131 HydrophobicContact CZ3-CE1 4.2Å; W29-Y131 HydrophobicContact CZ3-CE2 4.17Å; W29-Y131 HydrophobicContact CZ3-CG 4.34Å; Y118-Y131 AromaticContact CD1-CE1 3.99Å; Y118-Y131 HydrophobicContact CD1-CE1 3.99Å; Y118-Y131 HydrophobicContact CE1-CD1 4.36Å; Y118-Y131 HydrophobicContact CE1-CE1 4.05Å; T119-Y131 WeakPolarHBondContact CA-OH 3.44Å; T119-Y131 PolarHBondContact O-OH 3.1Å; Y131-F135 VanDerWaalsContact CB-CD1 3.45Å; Y131-F135 HydrophobicContact CD1-CB 4.24Å; Y131-F135 AromaticContact CD1-CD1 3.53Å; Y131-F135 HydrophobicContact CD1-CD1 3.53Å; Y131-F135 AromaticContact CD1-CD2 3.71Å; Y131-F135 HydrophobicContact CD1-CD2 3.71Å; Y131-F135 AromaticContact CD1-CE1 3.62Å; Y131-F135 HydrophobicContact CD1-CE1 3.62Å; Y131-F135 AromaticContact CD1-CE2 3.81Å; Y131-F135 HydrophobicContact CD1-CE2 3.81Å; Y131-F135 AromaticContact CD1-CG 3.54Å; Y131-F135 HydrophobicContact CD1-CG 3.54Å; Y131-F135 AromaticContact CD1-CZ 3.74Å; Y131-F135 HydrophobicContact CD1-CZ 3.74Å; Y131-F135 HydrophobicContact CD2-CD1 4.41Å; Y131-F135 HydrophobicContact CD2-CE1 4.06Å; Y131-F135 HydrophobicContact CE1-CD1 4.41Å; Y131-F135 HydrophobicContact CE1-CD2 4.11Å; Y131-F135 HydrophobicContact CE1-CE1 4.13Å; Y131-F135 AromaticContact CE1-CE2 3.82Å; Y131-F135 HydrophobicContact CE1-CE2 3.82Å; Y131-F135 HydrophobicContact CE1-CG 4.38Å; Y131-F135 AromaticContact CE1-CZ 3.8Å; Y131-F135 HydrophobicContact CE1-CZ 3.8Å; Y131-F135 AromaticContact CG-CD1 3.53Å; Y131-F135 HydrophobicContact CG-CD1 3.53Å; Y131-F135 AromaticContact CG-CE1 3.59Å; Y131-F135 HydrophobicContact CG-CE1 3.59Å; Y131-F135 HydrophobicContact CG-CG 4.01Å; Y131-F135 HydrophobicContact CG-CZ 4.13Å
132G96.9Very high93.2Very high4 Ų461.2 Ų61.24%0.04130%0.303CS..  trans-80.8-179.4-179.700000113A27 W28 W130 S134 F135 I136A27-G132 CarbonylContact O-C 3.48Å; A27-G132 WeakPolarHBondContact O-CA 3.37Å; W28-G132 PolarHBondContact O-N 3.03Å; W130-G132 PolarHBondContact O-N 3.39Å; G132-S134 VanDerWaalsContact C-N 3.34Å; G132-S134 PolarHBondContact O-N 3.37Å; G132-F135 PolarHBondContact O-N 2.95Å; G132-I136 PolarHBondContact O-N 2.9Å
133H97.4Very high93.5Very high91 Ų9162.8 Ų62.842%0.42132%0.317SS..Hα-helixtrans-65.6-33.8-175.459.4-85.6000112.9D25 A27 F135 I136 L137D25-H133 IonicContact OD2-CD2 3.6Å; D25-H133 IonicContact OD2-CE1 3.67Å; D25-H133 IonicContact OD2-NE2 2.68Å; D25-H133 PolarHBondContact OD2-NE2 2.89Å; A27-H133 WeakPolarHBondContact CB-CE1 3.29Å; A27-H133 WeakPolarHBondContact CB-ND1 3.37Å; A27-H133 PolarHBondContact O-N 2.86Å; H133-F135 VanDerWaalsContact C-N 3.29Å; H133-F135 PolarHBondContact O-N 3.22Å; H133-I136 PolarHBondContact O-N 3.23Å; H133-L137 WeakPolarHBondContact O-CB 3.45Å; H133-L137 VanDerWaalsContact O-CG 3.23Å; H133-L137 WeakPolarHBondContact O-CG 3.29Å; H133-L137 PolarHBondContact O-N 2.81Å
134S98.1Very high94Very high0 Ų065.3 Ų65.30%033%0.328CS..Hα-helixtrans-61.1-39.7177.5-54.90000111.7A22 D25 A27 G132 L137 A138A22-S134 WeakPolarHBondContact CB-O 3.31Å; D25-S134 PolarHBondContact O-OG 3.35Å; A27-S134 PolarHBondContact N-OG 2.73Å; A27-S134 WeakPolarHBondContact O-CB 3.45Å; A27-S134 PolarHBondContact O-N 3.28Å; G132-S134 VanDerWaalsContact C-N 3.34Å; G132-S134 PolarHBondContact O-N 3.37Å; S134-L137 PolarHBondContact O-N 3.13Å; S134-A138 PolarHBondContact O-N 2.62Å
135F97.9Very high94.7Very high13 Ų1359 Ų596%0.05730%0.301CS..Hα-helixtrans-67.6-41.5176176.6-90.4000112.1W28 A115 Y118 T119 Y131 G132 H133 L137 A138 W139W28-F135 HydrophobicContact CB-CB 4.41Å; W28-F135 HydrophobicContact CD2-CB 4.46Å; W28-F135 AromaticContact CE3-CD2 3.84Å; W28-F135 HydrophobicContact CE3-CD2 3.84Å; W28-F135 HydrophobicContact CG-CB 4.47Å; W28-F135 HydrophobicContact CZ3-CD2 4.16Å; W28-F135 WeakPolarHBondContact O-CB 3.11Å; A115-F135 HydrophobicContact CB-CE2 4.48Å; Y118-F135 AromaticContact CD1-CD2 3.88Å; Y118-F135 HydrophobicContact CD1-CD2 3.88Å; Y118-F135 AromaticContact CD1-CE2 3.98Å; Y118-F135 HydrophobicContact CD1-CE2 3.98Å; Y118-F135 HydrophobicContact CE1-CD2 4.44Å; T119-F135 WeakPolarHBondContact OG1-CE2 3.31Å; T119-F135 WeakPolarHBondContact OG1-CZ 3.39Å; Y131-F135 VanDerWaalsContact CB-CD1 3.45Å; Y131-F135 HydrophobicContact CD1-CB 4.24Å; Y131-F135 AromaticContact CD1-CD1 3.53Å; Y131-F135 HydrophobicContact CD1-CD1 3.53Å; Y131-F135 AromaticContact CD1-CD2 3.71Å; Y131-F135 HydrophobicContact CD1-CD2 3.71Å; Y131-F135 AromaticContact CD1-CE1 3.62Å; Y131-F135 HydrophobicContact CD1-CE1 3.62Å; Y131-F135 AromaticContact CD1-CE2 3.81Å; Y131-F135 HydrophobicContact CD1-CE2 3.81Å; Y131-F135 AromaticContact CD1-CG 3.54Å; Y131-F135 HydrophobicContact CD1-CG 3.54Å; Y131-F135 AromaticContact CD1-CZ 3.74Å; Y131-F135 HydrophobicContact CD1-CZ 3.74Å; Y131-F135 HydrophobicContact CD2-CD1 4.41Å; Y131-F135 HydrophobicContact CD2-CE1 4.06Å; Y131-F135 HydrophobicContact CE1-CD1 4.41Å; Y131-F135 HydrophobicContact CE1-CD2 4.11Å; Y131-F135 HydrophobicContact CE1-CE1 4.13Å; Y131-F135 AromaticContact CE1-CE2 3.82Å; Y131-F135 HydrophobicContact CE1-CE2 3.82Å; Y131-F135 HydrophobicContact CE1-CG 4.38Å; Y131-F135 AromaticContact CE1-CZ 3.8Å; Y131-F135 HydrophobicContact CE1-CZ 3.8Å; Y131-F135 AromaticContact CG-CD1 3.53Å; Y131-F135 HydrophobicContact CG-CD1 3.53Å; Y131-F135 AromaticContact CG-CE1 3.59Å; Y131-F135 HydrophobicContact CG-CE1 3.59Å; Y131-F135 HydrophobicContact CG-CG 4.01Å; Y131-F135 HydrophobicContact CG-CZ 4.13Å; G132-F135 PolarHBondContact O-N 2.95Å; H133-F135 VanDerWaalsContact C-N 3.29Å; H133-F135 PolarHBondContact O-N 3.22Å; F135-L137 VanDerWaalsContact C-N 3.31Å; F135-L137 PolarHBondContact O-N 3.23Å; F135-A138 WeakPolarHBondContact O-CB 3.47Å; F135-A138 PolarHBondContact O-N 2.7Å; F135-W139 AromaticContact CE1-CD1 3.53Å; F135-W139 AromaticContact CE1-NE1 3.4Å; F135-W139 AromaticContact CE2-NE1 3.84Å; F135-W139 AromaticContact CZ-CD1 3.77Å; F135-W139 AromaticContact CZ-NE1 3.16Å; F135-W139 PolarHBondContact O-N 2.98Å
136I98.1Very high95.5Very high91 Ų9155.9 Ų55.947%0.46728%0.279SS..Hα-helixtrans-62.6-42.1175.1-63.1168.3000110.3G132 H133 A138 W139 I140G132-I136 PolarHBondContact O-N 2.9Å; H133-I136 PolarHBondContact O-N 3.23Å; I136-A138 VanDerWaalsContact C-N 3.28Å; I136-A138 PolarHBondContact O-N 3.02Å; I136-W139 PolarHBondContact O-N 3.01Å; I136-I140 HydrophobicContact CG2-CD1 3.96Å; I136-I140 HydrophobicContact CG2-CG1 4.48Å; I136-I140 WeakPolarHBondContact O-CG1 3.27Å; I136-I140 PolarHBondContact O-N 3.16Å
137L98.4Very high96.2Very high36 Ų3656.4 Ų56.419%0.18828%0.283CS..Hα-helixtrans-63.9-31.1176.2-71-179.9000112.5L18 V21 A22 H133 S134 F135 I140 S141L18-L137 HydrophobicContact CD2-CD2 3.7Å; V21-L137 HydrophobicContact CB-CD1 4.14Å; V21-L137 HydrophobicContact CG1-CD1 3.5Å; V21-L137 VanDerWaalsContact CG1-CD1 3.5Å; A22-L137 HydrophobicContact CB-CB 4.15Å; H133-L137 WeakPolarHBondContact O-CB 3.45Å; H133-L137 VanDerWaalsContact O-CG 3.23Å; H133-L137 WeakPolarHBondContact O-CG 3.29Å; H133-L137 PolarHBondContact O-N 2.81Å; S134-L137 PolarHBondContact O-N 3.13Å; F135-L137 VanDerWaalsContact C-N 3.31Å; F135-L137 PolarHBondContact O-N 3.23Å; L137-I140 HydrophobicContact CD2-CD1 4.31Å; L137-I140 PolarHBondContact O-N 2.94Å; L137-S141 VanDerWaalsContact O-CB 3.26Å; L137-S141 WeakPolarHBondContact O-CB 3.13Å; L137-S141 PolarHBondContact O-N 2.79Å; L137-S141 PolarHBondContact O-OG 3.01Å
138A98.6Very high97.1Very high0 Ų051.3 Ų51.30%025%0.248CC..Hα-helixtrans-61.4-44.1172.200000111.8A22 W28 I111 A115 S134 F135 I136 S141 F142A22-A138 HydrophobicContact CB-CB 4.13Å; W28-A138 HydrophobicContact CH2-CB 4.3Å; W28-A138 HydrophobicContact CZ2-CB 4.31Å; I111-A138 HydrophobicContact CD1-CB 3.9Å; I111-A138 HydrophobicContact CG1-CB 4.02Å; A115-A138 HydrophobicContact CB-CB 4.42Å; S134-A138 PolarHBondContact O-N 2.62Å; F135-A138 WeakPolarHBondContact O-CB 3.47Å; F135-A138 PolarHBondContact O-N 2.7Å; I136-A138 VanDerWaalsContact C-N 3.28Å; I136-A138 PolarHBondContact O-N 3.02Å; A138-S141 WeakPolarHBondContact O-CB 3.4Å; A138-S141 PolarHBondContact O-N 2.9Å; A138-F142 PolarHBondContact O-N 3.34Å
139W98.6Very high97.6Very high87 Ų8745 Ų4533%0.3321%0.214SC..Hα-helixtrans-69.8-37.3176.3-76.8111.8000113.5M112 A115 F135 I136 S141 F142 A143M112-W139 HydrophobicContact CG-CZ3 4.3Å; A115-W139 HydrophobicContact CB-CD2 4.16Å; A115-W139 HydrophobicContact CB-CH2 4.34Å; A115-W139 HydrophobicContact CB-CZ2 3.75Å; F135-W139 AromaticContact CE1-CD1 3.53Å; F135-W139 AromaticContact CE1-NE1 3.4Å; F135-W139 AromaticContact CE2-NE1 3.84Å; F135-W139 AromaticContact CZ-CD1 3.77Å; F135-W139 AromaticContact CZ-NE1 3.16Å; F135-W139 PolarHBondContact O-N 2.98Å; I136-W139 PolarHBondContact O-N 3.01Å; W139-S141 VanDerWaalsContact C-N 3.31Å; W139-F142 HydrophobicContact CE3-CB 4.44Å; W139-F142 AromaticContact CE3-CD1 3.99Å; W139-F142 HydrophobicContact CE3-CD1 3.99Å; W139-F142 HydrophobicContact CE3-CG 4.38Å; W139-F142 HydrophobicContact CZ3-CD1 4.28Å; W139-F142 WeakPolarHBondContact O-CB 3.36Å; W139-F142 PolarHBondContact O-N 2.81Å; W139-A143 PolarHBondContact O-N 3.48Å; W139-A143 VanDerWaalsContact O-N 3.14Å
140I98.5Very high97.8Very high67 Ų6747.7 Ų47.734%0.34422%0.223SC..Hα-helixtrans-64.2-40.9172.4-64.9171.8000110L18 I136 L137 F142 A143 F144L18-I140 HydrophobicContact CD1-CG2 3.73Å; I136-I140 HydrophobicContact CG2-CD1 3.96Å; I136-I140 HydrophobicContact CG2-CG1 4.48Å; I136-I140 WeakPolarHBondContact O-CG1 3.27Å; I136-I140 PolarHBondContact O-N 3.16Å; L137-I140 HydrophobicContact CD2-CD1 4.31Å; L137-I140 PolarHBondContact O-N 2.94Å; I140-F142 VanDerWaalsContact C-N 3.33Å; I140-F142 PolarHBondContact O-N 2.78Å; I140-A143 PolarHBondContact O-N 3.35Å; I140-A143 VanDerWaalsContact O-N 3.16Å; I140-F144 HydrophobicContact CG2-CD1 3.94Å; I140-F144 HydrophobicContact CG2-CE1 3.76Å; I140-F144 HydrophobicContact CG2-CZ 4.22Å; I140-F144 WeakPolarHBondContact O-CD1 3.49Å; I140-F144 PolarHBondContact O-N 3.1Å
141S98.4Very high97.9Very high0 Ų043.8 Ų43.80%021%0.212CC..Hα-helixtrans-61-41.2175.4-60.80000112L18 L19 L137 A138 W139 A143 F144 T145L18-S141 VanDerWaalsContact C-OG 3.29Å; L18-S141 WeakPolarHBondContact CB-OG 3.38Å; L19-S141 PolarHBondContact N-OG 2.93Å; L137-S141 VanDerWaalsContact O-CB 3.26Å; L137-S141 WeakPolarHBondContact O-CB 3.13Å; L137-S141 PolarHBondContact O-N 2.79Å; L137-S141 PolarHBondContact O-OG 3.01Å; A138-S141 WeakPolarHBondContact O-CB 3.4Å; A138-S141 PolarHBondContact O-N 2.9Å; W139-S141 VanDerWaalsContact C-N 3.31Å; S141-A143 PolarHBondContact O-N 3.28Å; S141-F144 PolarHBondContact O-N 3.16Å; S141-T145 WeakPolarHBondContact O-CB 3.48Å; S141-T145 VanDerWaalsContact O-CG2 3.23Å; S141-T145 WeakPolarHBondContact O-CG2 3.47Å; S141-T145 PolarHBondContact O-N 2.78Å; S141-T145 PolarHBondContact O-OG1 3.28Å
142F98.5Very high97.9Very high54 Ų5440.6 Ų40.624%0.23720%0.199CC..Hα-helixtrans-53.9-52.1170.7158.2-106.1000111.3C108 I111 M112 A138 W139 I140 F144 T145 F146C108-F142 WeakPolarHBondContact SG-CD2 3.29Å; C108-F142 VanDerWaalsContact SG-CE2 3.52Å; I111-F142 HydrophobicContact CG2-CB 3.98Å; M112-F142 HydrophobicContact CB-CD2 3.75Å; M112-F142 HydrophobicContact CB-CE2 4.13Å; M112-F142 HydrophobicContact CB-CG 4.45Å; M112-F142 HydrophobicContact CG-CD2 4.13Å; M112-F142 HydrophobicContact CG-CE2 4.1Å; M112-F142 HydrophobicContact SD-CD2 4.28Å; M112-F142 HydrophobicContact SD-CE2 3.67Å; M112-F142 HydrophobicContact SD-CZ 4.18Å; A138-F142 PolarHBondContact O-N 3.34Å; W139-F142 HydrophobicContact CE3-CB 4.44Å; W139-F142 AromaticContact CE3-CD1 3.99Å; W139-F142 HydrophobicContact CE3-CD1 3.99Å; W139-F142 HydrophobicContact CE3-CG 4.38Å; W139-F142 HydrophobicContact CZ3-CD1 4.28Å; W139-F142 WeakPolarHBondContact O-CB 3.36Å; W139-F142 PolarHBondContact O-N 2.81Å; I140-F142 VanDerWaalsContact C-N 3.33Å; I140-F142 PolarHBondContact O-N 2.78Å; F142-F144 VanDerWaalsContact C-N 3.34Å; F142-F144 PolarHBondContact O-N 3.19Å; F142-T145 PolarHBondContact O-N 2.83Å; F142-T145 PolarHBondContact O-OG1 2.79Å; F142-F146 VanDerWaalsContact O-CB 3.29Å; F142-F146 WeakPolarHBondContact O-CB 3.37Å; F142-F146 PolarHBondContact O-N 2.75Å
143A98.4Very high97.8Very high36 Ų3643.6 Ų43.630%0.29821%0.211SC..Hα-helixtrans-60.9-43-179.900000112.2W139 I140 S141 F146 I147W139-A143 PolarHBondContact O-N 3.48Å; W139-A143 VanDerWaalsContact O-N 3.14Å; I140-A143 PolarHBondContact O-N 3.35Å; I140-A143 VanDerWaalsContact O-N 3.16Å; S141-A143 PolarHBondContact O-N 3.28Å; A143-F146 PolarHBondContact O-N 2.74Å; A143-I147 WeakPolarHBondContact O-CB 3.11Å; A143-I147 WeakPolarHBondContact O-CD1 3.38Å; A143-I147 VanDerWaalsContact O-CG1 3.24Å; A143-I147 WeakPolarHBondContact O-CG1 3.22Å; A143-I147 PolarHBondContact O-N 2.91Å
144F98.4Very high97.5Very high66 Ų6644.1 Ų44.129%0.28922%0.22SC..Hα-helixtrans-68.8-43.2-177.5-83.138000111.7L11 T14 L18 I140 S141 F142 S148L11-F144 HydrophobicContact CD1-CB 4.4Å; L11-F144 HydrophobicContact CD1-CD2 3.72Å; L11-F144 HydrophobicContact CD1-CE2 4.16Å; L11-F144 HydrophobicContact CD1-CG 4.09Å; T14-F144 HydrophobicContact CG2-CD2 4.05Å; T14-F144 HydrophobicContact CG2-CE2 3.76Å; L18-F144 HydrophobicContact CD1-CD2 4.12Å; L18-F144 HydrophobicContact CD1-CE2 4.21Å; I140-F144 HydrophobicContact CG2-CD1 3.94Å; I140-F144 HydrophobicContact CG2-CE1 3.76Å; I140-F144 HydrophobicContact CG2-CZ 4.22Å; I140-F144 WeakPolarHBondContact O-CD1 3.49Å; I140-F144 PolarHBondContact O-N 3.1Å; S141-F144 PolarHBondContact O-N 3.16Å; F142-F144 VanDerWaalsContact C-N 3.34Å; F142-F144 PolarHBondContact O-N 3.19Å; F144-S148 WeakPolarHBondContact O-CB 3.34Å; F144-S148 PolarHBondContact O-N 2.92Å
145T98.3Very high97.1Very high0 Ų045.7 Ų45.70%023%0.229CC..Hα-helixtrans-65.3-40.5175.953.40000111.1L19 Q104 A107 C108 S141 F142 S148 S149L19-T145 HydrophobicContact CD1-CG2 4.02Å; Q104-T145 VanDerWaalsContact CG-O 3.25Å; Q104-T145 WeakPolarHBondContact CG-O 3.34Å; A107-T145 HydrophobicContact CB-CG2 4.45Å; C108-T145 VanDerWaalsContact CA-OG1 3.26Å; C108-T145 WeakPolarHBondContact CA-OG1 3.42Å; C108-T145 VanDerWaalsContact CB-OG1 3.3Å; C108-T145 WeakPolarHBondContact CB-OG1 3.45Å; S141-T145 WeakPolarHBondContact O-CB 3.48Å; S141-T145 VanDerWaalsContact O-CG2 3.23Å; S141-T145 WeakPolarHBondContact O-CG2 3.47Å; S141-T145 PolarHBondContact O-N 2.78Å; S141-T145 PolarHBondContact O-OG1 3.28Å; F142-T145 PolarHBondContact O-N 2.83Å; F142-T145 PolarHBondContact O-OG1 2.79Å; T145-S148 PolarHBondContact O-N 3.29Å; T145-S149 WeakPolarHBondContact O-CB 3.29Å; T145-S149 PolarHBondContact O-N 3.47Å
146F98.4Very high96.5Very high94 Ų9452.2 Ų52.241%0.41225%0.253SS..Hα-helixtrans-61.4-51.7175.3-173.7-117.6000112.6F142 A143 S148 S149 I150F142-F146 VanDerWaalsContact O-CB 3.29Å; F142-F146 WeakPolarHBondContact O-CB 3.37Å; F142-F146 PolarHBondContact O-N 2.75Å; A143-F146 PolarHBondContact O-N 2.74Å; F146-S148 VanDerWaalsContact C-N 3.33Å; F146-S148 PolarHBondContact O-N 3.03Å; F146-S149 WeakPolarHBondContact O-CB 3.3Å; F146-S149 PolarHBondContact O-N 3.29Å; F146-I150 HydrophobicContact CD1-CD1 3.99Å; F146-I150 HydrophobicContact CE1-CD1 3.54Å; F146-I150 HydrophobicContact CE2-CD1 4.25Å; F146-I150 HydrophobicContact CZ-CD1 3.69Å; F146-I150 HydrophobicContact CZ-CG1 4.48Å; F146-I150 WeakPolarHBondContact O-CG1 3.46Å; F146-I150 PolarHBondContact O-N 3.01Å
147I98.1Very high95.6Very high83 Ų8350.3 Ų50.343%0.42624%0.242SC..Hα-helixtrans-60.3-45178.2-68.4166.3000110.3L11 A143 S149 I150 I151L11-I147 HydrophobicContact CD2-CG2 4.15Å; A143-I147 WeakPolarHBondContact O-CB 3.11Å; A143-I147 WeakPolarHBondContact O-CD1 3.38Å; A143-I147 VanDerWaalsContact O-CG1 3.24Å; A143-I147 WeakPolarHBondContact O-CG1 3.22Å; A143-I147 PolarHBondContact O-N 2.91Å; I147-S149 VanDerWaalsContact C-N 3.34Å; I147-S149 PolarHBondContact O-N 3.46Å; I147-I150 PolarHBondContact O-N 3.43Å; I147-I151 HydrophobicContact CG2-CD1 3.81Å; I147-I151 HydrophobicContact CG2-CG1 4.45Å; I147-I151 VanDerWaalsContact O-CG1 3.31Å; I147-I151 WeakPolarHBondContact O-CG1 3.22Å; I147-I151 PolarHBondContact O-N 2.87Å
148S97.3Very high94.4Very high0 Ų056.2 Ų56.20%027%0.266CS..Hα-helixtrans-60.2-42.7177.7-179.10000111.9F144 T145 F146 I150 I151 Y152F144-S148 WeakPolarHBondContact O-CB 3.34Å; F144-S148 PolarHBondContact O-N 2.92Å; T145-S148 PolarHBondContact O-N 3.29Å; F146-S148 VanDerWaalsContact C-N 3.33Å; F146-S148 PolarHBondContact O-N 3.03Å; S148-I150 PolarHBondContact O-N 3.42Å; S148-I151 PolarHBondContact O-N 2.82Å; S148-Y152 WeakPolarHBondContact O-CD2 3.42Å; S148-Y152 PolarHBondContact O-N 2.73Å; S148-Y152 VanDerWaalsContact OG-CE2 3.3Å; S148-Y152 WeakPolarHBondContact OG-CE2 3.3Å
149S97.7Very high92.3Very high2 Ų259.8 Ų59.81%0.01429%0.288CS..Hα-helixtrans-59.8-47.1175.3-178.30000112.4G101 L105 T145 F146 I147 I151 Y152 F153G101-S149 PolarHBondContact O-OG 2.9Å; L105-S149 WeakPolarHBondContact CB-OG 3.49Å; T145-S149 WeakPolarHBondContact O-CB 3.29Å; T145-S149 PolarHBondContact O-N 3.47Å; F146-S149 WeakPolarHBondContact O-CB 3.3Å; F146-S149 PolarHBondContact O-N 3.29Å; I147-S149 VanDerWaalsContact C-N 3.34Å; I147-S149 PolarHBondContact O-N 3.46Å; S149-I151 VanDerWaalsContact C-N 3.33Å; S149-I151 PolarHBondContact O-N 2.91Å; S149-Y152 PolarHBondContact O-N 3.4Å; S149-F153 VanDerWaalsContact O-CD2 3.25Å; S149-F153 WeakPolarHBondContact O-CD2 3.41Å; S149-F153 PolarHBondContact O-N 2.73Å; S149-F153 VanDerWaalsContact O-N 3.08Å; S149-F153 VanDerWaalsContact OG-CE2 3.27Å; S149-F153 WeakPolarHBondContact OG-CE2 3.35Å
150I97.6Very high90.2Very high77 Ų7758.9 Ų58.940%0.39530%0.299SS..Hα-helixtrans-59.1-46.2176.4-67.5172.1000110.6F146 I147 S148 Y152 F153 V154F146-I150 HydrophobicContact CD1-CD1 3.99Å; F146-I150 HydrophobicContact CE1-CD1 3.54Å; F146-I150 HydrophobicContact CE2-CD1 4.25Å; F146-I150 HydrophobicContact CZ-CD1 3.69Å; F146-I150 HydrophobicContact CZ-CG1 4.48Å; F146-I150 WeakPolarHBondContact O-CG1 3.46Å; F146-I150 PolarHBondContact O-N 3.01Å; I147-I150 PolarHBondContact O-N 3.43Å; S148-I150 PolarHBondContact O-N 3.42Å; I150-Y152 VanDerWaalsContact C-N 3.29Å; I150-Y152 PolarHBondContact O-N 3.05Å; I150-F153 PolarHBondContact O-N 2.91Å; I150-F153 VanDerWaalsContact O-N 3.16Å; I150-V154 HydrophobicContact CG2-CG2 4.23Å; I150-V154 WeakPolarHBondContact O-CG2 3.23Å; I150-V154 PolarHBondContact O-N 3.29Å
151I96Very high87.6Confident51 Ų5166 Ų6626%0.26234%0.338SS..Hα-helixtrans-58.1-44.2178.8-68.5165.3000110.4I8 L11 I147 S148 S149 F153 V154 L155I8-I151 HydrophobicContact CD1-CG2 3.54Å; I8-I151 HydrophobicContact CG1-CG2 3.79Å; I8-I151 HydrophobicContact CG2-CG2 4.48Å; L11-I151 HydrophobicContact CD2-CD1 3.81Å; I147-I151 HydrophobicContact CG2-CD1 3.81Å; I147-I151 HydrophobicContact CG2-CG1 4.45Å; I147-I151 VanDerWaalsContact O-CG1 3.31Å; I147-I151 WeakPolarHBondContact O-CG1 3.22Å; I147-I151 PolarHBondContact O-N 2.87Å; S148-I151 PolarHBondContact O-N 2.82Å; S149-I151 VanDerWaalsContact C-N 3.33Å; S149-I151 PolarHBondContact O-N 2.91Å; I151-F153 VanDerWaalsContact C-N 3.32Å; I151-F153 PolarHBondContact O-N 2.98Å; I151-V154 PolarHBondContact O-N 2.95Å; I151-L155 WeakPolarHBondContact O-CB 3.4Å; I151-L155 PolarHBondContact O-N 3.15Å
152Y95.4Very high87Confident0 Ų069.4 Ų69.40%035%0.354CS..Hα-helixtrans-63.2-35.1178.2-75.2-46000113.8I8 H12 F84 F97 G101 Q104 S148 S149 I150I8-Y152 HydrophobicContact CG2-CD1 4.3Å; I8-Y152 HydrophobicContact CG2-CE1 3.47Å; I8-Y152 VanDerWaalsContact CG2-CE1 3.47Å; H12-Y152 AromaticContact CE1-CE2 3.86Å; H12-Y152 AromaticContact ND1-CE2 3.38Å; H12-Y152 WeakPolarHBondContact ND1-CE2 3.49Å; H12-Y152 AromaticContact ND1-CZ 3.5Å; H12-Y152 PolarHBondContact ND1-OH 2.73Å; F84-Y152 HydrophobicContact CB-CE1 4.34Å; F84-Y152 HydrophobicContact CD2-CD1 4.15Å; F84-Y152 AromaticContact CD2-CE1 3.28Å; F84-Y152 HydrophobicContact CD2-CE1 3.28Å; F84-Y152 AromaticContact CD2-CZ 3.91Å; F84-Y152 HydrophobicContact CE2-CD1 4.43Å; F84-Y152 AromaticContact CE2-CE1 3.58Å; F84-Y152 HydrophobicContact CE2-CE1 3.58Å; F84-Y152 AromaticContact CG-CE1 3.8Å; F84-Y152 HydrophobicContact CG-CE1 3.8Å; F84-Y152 AromaticContact CG-CZ 3.93Å; F84-Y152 WeakPolarHBondContact CG-OH 3.34Å; F84-Y152 HydrophobicContact CZ-CE1 4.3Å; F97-Y152 HydrophobicContact CB-CD1 3.58Å; F97-Y152 HydrophobicContact CB-CE1 4.41Å; F97-Y152 HydrophobicContact CB-CG 4.23Å; F97-Y152 HydrophobicContact CG-CD1 4.18Å; F97-Y152 PolarHBondContact N-O 2.89Å; G101-Y152 VanDerWaalsContact CA-CB 3.49Å; Q104-Y152 HydrophobicContact CB-CD2 4.39Å; S148-Y152 WeakPolarHBondContact O-CD2 3.42Å; S148-Y152 PolarHBondContact O-N 2.73Å; S148-Y152 VanDerWaalsContact OG-CE2 3.3Å; S148-Y152 WeakPolarHBondContact OG-CE2 3.3Å; S149-Y152 PolarHBondContact O-N 3.4Å; I150-Y152 VanDerWaalsContact C-N 3.29Å; I150-Y152 PolarHBondContact O-N 3.05Å
153F95.1Very high86.4Confident67 Ų6770.2 Ų70.229%0.29436%0.361SS..Hα-helixtrans-75.5-30.1176.3-69.3-46.1000113.8R96 T98 G101 I102 L105 S149 I150 I151R96-F153 WeakPolarHBondContact CD-O 3.25Å; R96-F153 PolarHBondContact NE-O 2.96Å; T98-F153 HydrophobicContact CG2-CD1 4.21Å; T98-F153 HydrophobicContact CG2-CE1 3.93Å; T98-F153 WeakPolarHBondContact O-CE1 3.44Å; G101-F153 VanDerWaalsContact C-CZ 3.43Å; I102-F153 HydrophobicContact CG1-CE1 4.06Å; I102-F153 HydrophobicContact CG1-CZ 4.03Å; L105-F153 HydrophobicContact CD2-CE2 4.38Å; S149-F153 VanDerWaalsContact O-CD2 3.25Å; S149-F153 WeakPolarHBondContact O-CD2 3.41Å; S149-F153 PolarHBondContact O-N 2.73Å; S149-F153 VanDerWaalsContact O-N 3.08Å; S149-F153 VanDerWaalsContact OG-CE2 3.27Å; S149-F153 WeakPolarHBondContact OG-CE2 3.35Å; I150-F153 PolarHBondContact O-N 2.91Å; I150-F153 VanDerWaalsContact O-N 3.16Å; I151-F153 VanDerWaalsContact C-N 3.32Å; I151-F153 PolarHBondContact O-N 2.98Å
154V92.2Very high85.8Confident102 Ų10272.1 Ų72.162%0.61836%0.364SS*.Hα-helixtrans-86.9-41.9-178.4175.50000111.5I150 I151 R156I150-V154 HydrophobicContact CG2-CG2 4.23Å; I150-V154 WeakPolarHBondContact O-CG2 3.23Å; I150-V154 PolarHBondContact O-N 3.29Å; I151-V154 PolarHBondContact O-N 2.95Å; V154-R156 PolarHBondContact O-N 3.02Å
155L88.7Confident85Confident34 Ų3472.4 Ų72.418%0.17837%0.369CS..  trans-67.6131.1-171.9-168.976.8000112.1L4 I8 R96 F97 I151L4-L155 HydrophobicContact CD2-CD1 3.59Å; I8-L155 HydrophobicContact CD1-CD2 3.48Å; I8-L155 VanDerWaalsContact CD1-CD2 3.48Å; R96-L155 WeakPolarHBondContact CA-O 3.5Å; F97-L155 HydrophobicContact CD2-CD2 4.11Å; F97-L155 HydrophobicContact CE2-CD2 3.83Å; F97-L155 HydrophobicContact CE2-CG 4.43Å; I151-L155 WeakPolarHBondContact O-CB 3.4Å; I151-L155 PolarHBondContact O-N 3.15Å
156R85Confident84.2Confident149 Ų14976.9 Ų76.956%0.56239%0.392SS*.BIsolated β-bridgetrans-106.1139.9170.7-62.1-175.5-176.1-164.80.6110.5Q95 R96 V154 K158Q95-R156 WeakPolarHBondContact O-CA 3.35Å; R96-R156 HydrophobicContact CG-CG 3.86Å; V154-R156 PolarHBondContact O-N 3.02Å; R156-K158 PolarHBondContact O-N 3.06Å
157K79.9Confident83.3Confident52 Ų5275.8 Ų75.823%0.22639%0.39CS..  trans-63.7108173-175.7172176.9174.60109.5L88 L91 G94 Q95 F97L88-K157 PolarHBondContact O-NZ 3.47Å; L91-K157 HydrophobicContact CB-CD 4.28Å; L91-K157 HydrophobicContact CD2-CB 4.4Å; L91-K157 VanDerWaalsContact O-CD 3.29Å; L91-K157 WeakPolarHBondContact O-CD 3.47Å; L91-K157 WeakPolarHBondContact O-CE 3.5Å; L91-K157 PolarHBondContact O-NZ 3Å; G94-K157 PolarHBondContact N-O 3.06Å; Q95-K157 PolarHBondContact O-N 3.49Å; F97-K157 HydrophobicContact CZ-CB 4.49Å
158K72.8Confident82.2Confident160 Ų16075.3 Ų75.370%0.69639%0.388SS*.  trans-74.3151.4179.1-83.2-170.6174.8-1740111.7M1 R156 A160M1-K158 HydrophobicContact SD-CB 3.65Å; R156-K158 PolarHBondContact O-N 3.06Å; K158-A160 PolarHBondContact O-N 3.46Å
159T54.9Low81Confident75 Ų7581.1 Ų81.146%0.4642%0.417SS..  trans-63.1123.7166.4-42.50000108.2K93 N161K93-T159 HydrophobicContact CD-CG2 3.83Å; T159-N161 WeakPolarHBondContact CG2-OD1 3.47Å; T159-N161 PolarHBondContact O-N 2.75Å; T159-N161 VanDerWaalsContact O-N 3.13Å
160A54.5Low79.6Confident68 Ų6887.7 Ų87.756%0.56245%0.451SS*.  trans-66.8104.7155.700000105.7M1 K158M1-A160 HydrophobicContact CE-CB 4.19Å; K158-A160 PolarHBondContact O-N 3.46Å
161N43.6Very low78Confident217 Ų21788.6 Ų88.6100%1.1646%0.456SS*.  trans-85.30161.7-76.12.8000107.6T159T159-N161 WeakPolarHBondContact CG2-OD1 3.47Å; T159-N161 PolarHBondContact O-N 2.75Å; T159-N161 VanDerWaalsContact O-N 3.13Å

Retrieved 161 of 161 residues in 1025.8 ms (Link to these results)

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