A0A077ZEU8_TRITR Loading...

GrpB domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZEU8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 192 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M72.4Confident86.3Confident174 Ų17494.8 Ų94.886%0.85748%0.478SS*.  0143.60-139.5164.2168.800107.3S111M1-S111 WeakPolarHBondContact CE-O 3.05Å
2K79.4Confident86.8Confident99 Ų9990 Ų9043%0.4346%0.455SS..  trans-59.1148173.5-73.5-177.3-179.6175.20109.4E6 M7 E11K2-E6 HydrophobicContact CB-CB 4.47Å; K2-M7 HydrophobicContact CB-CE 4.13Å; K2-M7 HydrophobicContact CB-CG 4.15Å; K2-M7 HydrophobicContact CD-CG 4.48Å; K2-M7 WeakPolarHBondContact O-CE 3.4Å; K2-E11 IonicContact NZ-OE1 2.73Å; K2-E11 PolarHBondContact NZ-OE1 2.7Å; K2-E11 IonicContact NZ-OE2 4Å; K2-E11 PolarHBondContact NZ-OE2 3.15Å
3K85.6Confident87.2Confident123 Ų12387 Ų8754%0.53544%0.435SS..  trans-71.2154167.7-63.5-176.6177.1178.80109.6E5 E6 M7K3-E5 HydrophobicContact CB-CG 3.82Å; K3-E5 HydrophobicContact CD-CG 4.31Å; K3-E5 WeakPolarHBondContact CD-OE1 3.44Å; K3-E5 IonicContact NZ-OE1 3.35Å; K3-E5 PolarHBondContact NZ-OE1 2.84Å; K3-E5 PolarHBondContact O-N 2.99Å; K3-E6 HydrophobicContact CB-CG 4.15Å; K3-E6 PolarHBondContact N-OE2 3.32Å; K3-E6 WeakPolarHBondContact O-CB 3.28Å; K3-E6 PolarHBondContact O-N 3.23Å; K3-M7 PolarHBondContact O-N 3.38Å
4L87.9Confident87.6Confident36 Ų3689.4 Ų89.419%0.18844%0.444CS..G310 helixtrans-57-39.1-179.8-64.3-176.7000112.4E6 M7 L12 L15 F16 I92 Y109L4-E6 PolarHBondContact O-N 3.39Å; L4-M7 HydrophobicContact CD2-CE 4.28Å; L4-M7 HydrophobicContact CD2-SD 3.92Å; L4-M7 WeakPolarHBondContact O-CB 3.48Å; L4-M7 PolarHBondContact O-N 3.22Å; L4-M7 VanDerWaalsContact O-N 3.13Å; L4-L12 HydrophobicContact CB-CD2 4.44Å; L4-L12 HydrophobicContact CD2-CD2 4.16Å; L4-L15 HydrophobicContact CD2-CD2 3.69Å; L4-F16 HydrophobicContact CD1-CE2 4.45Å; L4-F16 HydrophobicContact CD1-CZ 4.15Å; L4-F16 HydrophobicContact CD2-CE2 3.88Å; L4-F16 HydrophobicContact CD2-CZ 3.9Å; L4-I92 HydrophobicContact CD1-CD1 4.33Å; L4-Y109 WeakPolarHBondContact CD1-O 3.42Å
5E85Confident88Confident158 Ų15886.3 Ų86.374%0.73843%0.429SS*.G310 helixtrans-63.4-16.6176.157.2-170.917600114.2K3K3-E5 HydrophobicContact CB-CG 3.82Å; K3-E5 HydrophobicContact CD-CG 4.31Å; K3-E5 WeakPolarHBondContact CD-OE1 3.44Å; K3-E5 IonicContact NZ-OE1 3.35Å; K3-E5 PolarHBondContact NZ-OE1 2.84Å; K3-E5 PolarHBondContact O-N 2.99Å
6E87.8Confident88.4Confident111 Ų11181.3 Ų81.352%0.51940%0.404SS..G310 helixtrans-101.1-4.2178.8-58.7168166.100112.5K2 K3 L4K2-E6 HydrophobicContact CB-CB 4.47Å; K3-E6 HydrophobicContact CB-CG 4.15Å; K3-E6 PolarHBondContact N-OE2 3.32Å; K3-E6 WeakPolarHBondContact O-CB 3.28Å; K3-E6 PolarHBondContact O-N 3.23Å; L4-E6 PolarHBondContact O-N 3.39Å
7M90.9Very high88.8Confident30 Ų3078.1 Ų78.115%0.14839%0.391CS..SBendtrans-84.9142179.9-68.4-177.5-17900110.9K2 K3 L4 E11 L12 L15K2-M7 HydrophobicContact CB-CE 4.13Å; K2-M7 HydrophobicContact CB-CG 4.15Å; K2-M7 HydrophobicContact CD-CG 4.48Å; K2-M7 WeakPolarHBondContact O-CE 3.4Å; K3-M7 PolarHBondContact O-N 3.38Å; L4-M7 HydrophobicContact CD2-CE 4.28Å; L4-M7 HydrophobicContact CD2-SD 3.92Å; L4-M7 WeakPolarHBondContact O-CB 3.48Å; L4-M7 PolarHBondContact O-N 3.22Å; L4-M7 VanDerWaalsContact O-N 3.13Å; M7-E11 WeakPolarHBondContact CA-OE2 3.17Å; M7-E11 HydrophobicContact CB-CB 3.97Å; M7-E11 HydrophobicContact CG-CB 4.34Å; M7-L12 HydrophobicContact CB-CD2 3.91Å; M7-L12 HydrophobicContact CB-CG 3.84Å; M7-L12 HydrophobicContact SD-CD2 4.07Å; M7-L15 HydrophobicContact CE-CD2 4.11Å; M7-L15 HydrophobicContact SD-CD2 3.92Å
8T90.9Very high89.2Confident78 Ų7873.8 Ų73.848%0.47937%0.369SS..  trans-66.7159.8168.261.40000110.8A10 E11 L12T8-A10 PolarHBondContact O-N 2.95Å; T8-E11 PolarHBondContact N-OE2 3.44Å; T8-E11 PolarHBondContact O-N 3.18Å; T8-E11 VanDerWaalsContact O-N 3.11Å; T8-E11 VanDerWaalsContact OG1-CG 3.3Å; T8-E11 WeakPolarHBondContact OG1-CG 3.46Å; T8-E11 PolarHBondContact OG1-N 2.66Å; T8-E11 PolarHBondContact OG1-OE2 3.23Å; T8-L12 WeakPolarHBondContact O-CG 3.42Å; T8-L12 PolarHBondContact O-N 2.64Å
9L88.5Confident89.5Confident107 Ų10772.4 Ų72.456%0.5636%0.363SS*.Hα-helixtrans-55.6-38.9174.1-79.5168.8000112.5L12 W13L9-L12 PolarHBondContact O-N 2.78Å; L9-W13 WeakPolarHBondContact O-CB 3.44Å; L9-W13 VanDerWaalsContact O-CG 3.24Å; L9-W13 PolarHBondContact O-N 2.5Å
10A89.1Confident89.9Confident60 Ų6070.1 Ų70.150%0.49635%0.351SS..Hα-helixtrans-63.2-46.3176.200000111.6T8 L12 W13 E14T8-A10 PolarHBondContact O-N 2.95Å; A10-L12 VanDerWaalsContact C-N 3.3Å; A10-L12 PolarHBondContact O-N 3.24Å; A10-W13 PolarHBondContact O-N 3.11Å; A10-E14 WeakPolarHBondContact O-CG 3.47Å; A10-E14 PolarHBondContact O-N 3.34Å
11E92.3Very high90.2Very high67 Ų6772.4 Ų72.431%0.31336%0.359SS..Hα-helixtrans-60.7-40174.9-73.7167.6133.900111.7K2 M7 T8 E14 L15K2-E11 IonicContact NZ-OE1 2.73Å; K2-E11 PolarHBondContact NZ-OE1 2.7Å; K2-E11 IonicContact NZ-OE2 4Å; K2-E11 PolarHBondContact NZ-OE2 3.15Å; M7-E11 WeakPolarHBondContact CA-OE2 3.17Å; M7-E11 HydrophobicContact CB-CB 3.97Å; M7-E11 HydrophobicContact CG-CB 4.34Å; T8-E11 PolarHBondContact N-OE2 3.44Å; T8-E11 PolarHBondContact O-N 3.18Å; T8-E11 VanDerWaalsContact O-N 3.11Å; T8-E11 VanDerWaalsContact OG1-CG 3.3Å; T8-E11 WeakPolarHBondContact OG1-CG 3.46Å; T8-E11 PolarHBondContact OG1-N 2.66Å; T8-E11 PolarHBondContact OG1-OE2 3.23Å; E11-E14 PolarHBondContact O-N 2.89Å; E11-L15 WeakPolarHBondContact O-CB 3.42Å; E11-L15 PolarHBondContact O-N 3.15Å
12L92Very high91.4Very high37 Ų3770.6 Ų70.619%0.19435%0.353CS..Hα-helixtrans-66.5-38.7175.6-70.1171.3000112.2L4 M7 T8 L9 A10 L15 F16L4-L12 HydrophobicContact CB-CD2 4.44Å; L4-L12 HydrophobicContact CD2-CD2 4.16Å; M7-L12 HydrophobicContact CB-CD2 3.91Å; M7-L12 HydrophobicContact CB-CG 3.84Å; M7-L12 HydrophobicContact SD-CD2 4.07Å; T8-L12 WeakPolarHBondContact O-CG 3.42Å; T8-L12 PolarHBondContact O-N 2.64Å; L9-L12 PolarHBondContact O-N 2.78Å; A10-L12 VanDerWaalsContact C-N 3.3Å; A10-L12 PolarHBondContact O-N 3.24Å; L12-L15 PolarHBondContact O-N 3.49Å; L12-F16 HydrophobicContact CB-CD2 4.48Å; L12-F16 HydrophobicContact CD2-CD2 4.21Å; L12-F16 HydrophobicContact CD2-CE2 3.86Å; L12-F16 WeakPolarHBondContact O-CA 3.3Å; L12-F16 VanDerWaalsContact O-CB 3.3Å; L12-F16 WeakPolarHBondContact O-CB 3.49Å; L12-F16 VanDerWaalsContact O-CD2 3.23Å; L12-F16 WeakPolarHBondContact O-CD2 3.48Å; L12-F16 PolarHBondContact O-N 2.66Å
13W91.9Very high92.3Very high51 Ų5168.1 Ų68.119%0.19334%0.343CS..Hα-helixtrans-71.2-30.9177.4-69.6-18000113.1L9 A10 F16 P17 H161 N162 D164L9-W13 WeakPolarHBondContact O-CB 3.44Å; L9-W13 VanDerWaalsContact O-CG 3.24Å; L9-W13 PolarHBondContact O-N 2.5Å; A10-W13 PolarHBondContact O-N 3.11Å; W13-F16 CarbonylContact O-C 3.37Å; W13-P17 WeakPolarHBondContact O-CA 3.49Å; W13-H161 HydrophobicContact CB-CB 4.4Å; W13-H161 VanDerWaalsContact CB-O 3.24Å; W13-H161 WeakPolarHBondContact CB-O 3.39Å; W13-H161 VanDerWaalsContact CD2-O 3.32Å; W13-H161 PolarHBondContact O-ND1 2.84Å; W13-N162 HydrophobicContact CE3-CB 4.36Å; W13-N162 WeakPolarHBondContact CH2-OD1 3.43Å; W13-N162 HydrophobicContact CZ3-CB 4.25Å; W13-D164 HydrophobicContact CZ2-CB 4.28Å
14E93Very high92.9Very high121 Ų12164.6 Ų64.657%0.56533%0.33SS*.Hα-helixtrans-67.8-42.8169.6-71.5-59.515100111.5A10 E11 H161A10-E14 WeakPolarHBondContact O-CG 3.47Å; A10-E14 PolarHBondContact O-N 3.34Å; E11-E14 PolarHBondContact O-N 2.89Å; E14-H161 IonicContact OE1-CD2 2.63Å; E14-H161 IonicContact OE1-CG 2.73Å; E14-H161 IonicContact OE1-ND1 3.25Å; E14-H161 IonicContact OE2-CE1 3.82Å; E14-H161 PolarHBondContact OE2-CE1 3.37Å; E14-H161 IonicContact OE2-ND1 2.73Å; E14-H161 PolarHBondContact OE2-ND1 3.48Å
15L93.7Very high93.3Very high42 Ų4268.1 Ų68.122%0.2235%0.352CS..Hα-helixtrans-71.1-31.9178.4-17358.6000112.7L4 M7 E11 L12 P17L4-L15 HydrophobicContact CD2-CD2 3.69Å; M7-L15 HydrophobicContact CE-CD2 4.11Å; M7-L15 HydrophobicContact SD-CD2 3.92Å; E11-L15 WeakPolarHBondContact O-CB 3.42Å; E11-L15 PolarHBondContact O-N 3.15Å; L12-L15 PolarHBondContact O-N 3.49Å; L15-P17 VanDerWaalsContact C-CD 3.46Å; L15-P17 WeakPolarHBondContact O-CD 3.39Å
16F94.5Very high93.9Very high6 Ų664 Ų643%0.02634%0.336CS..SBendtrans-125.267.2-176.4-55.1-64.5000111.1L4 L12 W13 Y109 T110 F114 R163L4-F16 HydrophobicContact CD1-CE2 4.45Å; L4-F16 HydrophobicContact CD1-CZ 4.15Å; L4-F16 HydrophobicContact CD2-CE2 3.88Å; L4-F16 HydrophobicContact CD2-CZ 3.9Å; L12-F16 HydrophobicContact CB-CD2 4.48Å; L12-F16 HydrophobicContact CD2-CD2 4.21Å; L12-F16 HydrophobicContact CD2-CE2 3.86Å; L12-F16 WeakPolarHBondContact O-CA 3.3Å; L12-F16 VanDerWaalsContact O-CB 3.3Å; L12-F16 WeakPolarHBondContact O-CB 3.49Å; L12-F16 VanDerWaalsContact O-CD2 3.23Å; L12-F16 WeakPolarHBondContact O-CD2 3.48Å; L12-F16 PolarHBondContact O-N 2.66Å; W13-F16 CarbonylContact O-C 3.37Å; F16-Y109 HydrophobicContact CB-CE1 4.38Å; F16-Y109 AromaticContact CD1-CD1 3.74Å; F16-Y109 HydrophobicContact CD1-CD1 3.74Å; F16-Y109 HydrophobicContact CD1-CE1 4.09Å; F16-Y109 AromaticContact CD2-CD1 3.83Å; F16-Y109 HydrophobicContact CD2-CD1 3.83Å; F16-Y109 HydrophobicContact CD2-CE1 4.17Å; F16-Y109 AromaticContact CE1-CD1 3.62Å; F16-Y109 HydrophobicContact CE1-CD1 3.62Å; F16-Y109 HydrophobicContact CE1-CE1 4.41Å; F16-Y109 HydrophobicContact CE1-CG 4.22Å; F16-Y109 AromaticContact CE2-CD1 3.74Å; F16-Y109 HydrophobicContact CE2-CD1 3.74Å; F16-Y109 AromaticContact CG-CD1 3.84Å; F16-Y109 HydrophobicContact CG-CD1 3.84Å; F16-Y109 AromaticContact CG-CE1 3.96Å; F16-Y109 HydrophobicContact CG-CE1 3.96Å; F16-Y109 AromaticContact CZ-CD1 3.63Å; F16-Y109 HydrophobicContact CZ-CD1 3.63Å; F16-Y109 HydrophobicContact CZ-CG 4.24Å; F16-T110 WeakPolarHBondContact CZ-O 3.36Å; F16-F114 HydrophobicContact CB-CE2 3.93Å; F16-F114 HydrophobicContact CB-CZ 3.67Å; F16-F114 AromaticContact CD1-CD1 4Å; F16-F114 HydrophobicContact CD1-CD1 4Å; F16-F114 HydrophobicContact CD1-CD2 4.05Å; F16-F114 AromaticContact CD1-CE1 3.64Å; F16-F114 HydrophobicContact CD1-CE1 3.64Å; F16-F114 AromaticContact CD1-CE2 3.68Å; F16-F114 HydrophobicContact CD1-CE2 3.68Å; F16-F114 HydrophobicContact CD1-CG 4.19Å; F16-F114 AromaticContact CD1-CZ 3.45Å; F16-F114 HydrophobicContact CD1-CZ 3.45Å; F16-F114 VanDerWaalsContact CD1-CZ 3.45Å; F16-F114 HydrophobicContact CE1-CD1 4.28Å; F16-F114 HydrophobicContact CE1-CE1 4.22Å; F16-F114 HydrophobicContact CE1-CZ 4.44Å; F16-F114 HydrophobicContact CG-CE1 4.36Å; F16-F114 HydrophobicContact CG-CE2 4.28Å; F16-F114 AromaticContact CG-CZ 3.91Å; F16-F114 HydrophobicContact CG-CZ 3.91Å; F16-R163 PolarHBondContact O-NE 2.98Å; F16-R163 PolarHBondContact O-NH2 2.85Å
17P95.2Very high94.4Very high28 Ų2859 Ų5918%0.18231%0.312CS..  trans-63.7165.2178.426.9-33.4000111.5W13 L15 I19 E160 R163W13-P17 WeakPolarHBondContact O-CA 3.49Å; L15-P17 VanDerWaalsContact C-CD 3.46Å; L15-P17 WeakPolarHBondContact O-CD 3.39Å; P17-I19 HydrophobicContact CG-CG2 4.17Å; P17-I19 PolarHBondContact O-N 3.26Å; P17-I19 VanDerWaalsContact O-N 3.14Å; P17-E160 CarbonylContact C-O 3.47Å; P17-E160 WeakPolarHBondContact CA-O 3.48Å; P17-E160 HydrophobicContact CB-CG 4.16Å; P17-R163 PolarHBondContact O-NH2 3.35Å
18I95.8Very high94.8Very high0 Ų064.1 Ų64.10%034%0.336CS..  trans-70.9104.8165.8-61.6-65.1000107.8K64 K156 E160 R163 Y166I18-K64 HydrophobicContact CD1-CD 4Å; I18-K156 HydrophobicContact CG2-CB 4.15Å; I18-K156 HydrophobicContact CG2-CG 3.98Å; I18-K156 WeakPolarHBondContact O-CE 3.42Å; I18-E160 PolarHBondContact N-O 2.81Å; I18-R163 HydrophobicContact CD1-CB 4.27Å; I18-R163 HydrophobicContact CD1-CG 3.75Å; I18-R163 HydrophobicContact CG1-CG 4.31Å; I18-Y166 HydrophobicContact CD1-CD1 3.63Å; I18-Y166 HydrophobicContact CD1-CD2 4.5Å; I18-Y166 HydrophobicContact CD1-CE1 4.22Å; I18-Y166 HydrophobicContact CD1-CG 3.79Å; I18-Y166 HydrophobicContact CG1-CD1 4.2Å; I18-Y166 HydrophobicContact CG1-CD2 4.18Å; I18-Y166 HydrophobicContact CG1-CG 3.85Å; I18-Y166 HydrophobicContact CG2-CD1 4.35Å; I18-Y166 HydrophobicContact CG2-CD2 3.92Å; I18-Y166 HydrophobicContact CG2-CE1 4.19Å; I18-Y166 HydrophobicContact CG2-CE2 3.75Å; I18-Y166 HydrophobicContact CG2-CG 4.21Å
19I95.3Very high95.1Very high48 Ų4866.2 Ų66.225%0.24634%0.338CS..  trans-105.2140.3168.759.9175.5000109.1P17 K64 P65 F114P17-I19 HydrophobicContact CG-CG2 4.17Å; P17-I19 PolarHBondContact O-N 3.26Å; P17-I19 VanDerWaalsContact O-N 3.14Å; I19-K64 WeakPolarHBondContact O-CA 3.44Å; I19-P65 HydrophobicContact CD1-CG 3.62Å; I19-P65 HydrophobicContact CG1-CG 3.99Å; I19-F114 HydrophobicContact CD1-CD2 4.34Å
20L97Very high95.6Very high26 Ų2662 Ų6214%0.13632%0.315CS..  trans-120.2134.6172.2-65.9177.2000108.3I62 A63 K64 K152 L153 K156L20-I62 HydrophobicContact CB-CD1 3.81Å; L20-I62 HydrophobicContact CB-CG1 4.12Å; L20-A63 WeakPolarHBondContact CA-O 3.27Å; L20-K64 HydrophobicContact CD2-CG 4.15Å; L20-K152 HydrophobicContact CD1-CB 3.96Å; L20-K152 WeakPolarHBondContact CD1-O 3.29Å; L20-L153 HydrophobicContact CD1-CD2 4.14Å; L20-K156 HydrophobicContact CB-CD 4.44Å; L20-K156 HydrophobicContact CD1-CB 3.96Å; L20-K156 HydrophobicContact CD1-CD 4.26Å; L20-K156 HydrophobicContact CG-CD 4.24Å
21K97Very high96.1Very high118 Ų11859.8 Ų59.851%0.51329%0.294SS..BIsolated β-bridgetrans-131.7151.5178.8-64.3-170.9179.1-179.60109.6I62 A63 P65K21-I62 VanDerWaalsContact C-CG1 3.45Å; K21-I62 WeakPolarHBondContact O-CA 3.44Å; K21-I62 WeakPolarHBondContact O-CG1 3.5Å; K21-A63 PolarHBondContact N-O 2.83Å; K21-A63 PolarHBondContact O-N 3.46Å; K21-P65 HydrophobicContact CD-CB 4.17Å; K21-P65 HydrophobicContact CD-CG 4.11Å; K21-P65 HydrophobicContact CG-CG 4.47Å
22D97.6Very high96.4Very high137 Ų13760.5 Ų60.573%0.73330%0.297SS*.PPolyproline II helixtrans-54.6154.3169-63.7-38.7000110.5N24D22-N24 PolarHBondContact O-N 3.49Å
23H97.5Very high96.7Very high46 Ų4661.8 Ų61.821%0.21330%0.302CS..PPolyproline II helixtrans-56.1129.9-178.7-177.582.7000111.3I58 G60H23-I58 PolarHBondContact CE1-O 3.05Å; H23-I58 PolarHBondContact ND1-O 3.37Å; H23-I58 VanDerWaalsContact ND1-O 3.1Å; H23-G60 VanDerWaalsContact CG-N 3.31Å
24N97.7Very high97Very high49 Ų4959.5 Ų59.526%0.26229%0.294SS..PPolyproline II helixtrans-98.1121171.3-174.3-4.2000109.3D22 D26 Y27D22-N24 PolarHBondContact O-N 3.49Å; N24-D26 PolarHBondContact O-N 3.31Å; N24-D26 VanDerWaalsContact O-N 3.13Å; N24-D26 PolarHBondContact OD1-N 2.82Å; N24-Y27 HydrophobicContact CB-CD1 4.13Å; N24-Y27 HydrophobicContact CB-CD2 3.87Å; N24-Y27 HydrophobicContact CB-CE1 3.83Å; N24-Y27 HydrophobicContact CB-CE2 3.57Å; N24-Y27 HydrophobicContact CB-CG 4.14Å; N24-Y27 VanDerWaalsContact N-CE2 3.3Å; N24-Y27 WeakPolarHBondContact O-CB 3.3Å; N24-Y27 WeakPolarHBondContact O-CD2 3.31Å; N24-Y27 VanDerWaalsContact O-CG 3.3Å; N24-Y27 PolarHBondContact O-N 2.85Å
25V97.1Very high97.3Very high110 Ų11056.4 Ų56.467%0.66728%0.278SS*.THydrogen-bonded Turntrans-58.4-23.5176.9-62.50000113.1Y27V25-Y27 VanDerWaalsContact C-N 3.27Å; V25-Y27 PolarHBondContact O-N 2.86Å
26D98Very high97.5Very high73 Ų7360 Ų6039%0.3929%0.294SS..THydrogen-bonded Turntrans-76.2-8.3177.7-70-39.3000113.8N24 E28 K29 W30N24-D26 PolarHBondContact O-N 3.31Å; N24-D26 VanDerWaalsContact O-N 3.13Å; N24-D26 PolarHBondContact OD1-N 2.82Å; D26-E28 VanDerWaalsContact C-N 3.27Å; D26-E28 PolarHBondContact O-N 3.07Å; D26-K29 WeakPolarHBondContact O-CB 3.29Å; D26-K29 PolarHBondContact O-N 2.94Å; D26-W30 PolarHBondContact O-N 2.77Å
27Y98.4Very high97.7Very high5 Ų563.9 Ų63.92%0.0231%0.312CS..Hα-helixtrans-60.2-36-179.5-70.5-36.3000113.1N24 V25 W30 Y31 T56 P65 V67N24-Y27 HydrophobicContact CB-CD1 4.13Å; N24-Y27 HydrophobicContact CB-CD2 3.87Å; N24-Y27 HydrophobicContact CB-CE1 3.83Å; N24-Y27 HydrophobicContact CB-CE2 3.57Å; N24-Y27 HydrophobicContact CB-CG 4.14Å; N24-Y27 VanDerWaalsContact N-CE2 3.3Å; N24-Y27 WeakPolarHBondContact O-CB 3.3Å; N24-Y27 WeakPolarHBondContact O-CD2 3.31Å; N24-Y27 VanDerWaalsContact O-CG 3.3Å; N24-Y27 PolarHBondContact O-N 2.85Å; V25-Y27 VanDerWaalsContact C-N 3.27Å; V25-Y27 PolarHBondContact O-N 2.86Å; Y27-W30 HydrophobicContact CD1-CD2 4.36Å; Y27-W30 AromaticContact CD1-CE3 3.72Å; Y27-W30 HydrophobicContact CD1-CE3 3.72Å; Y27-W30 AromaticContact CD1-CZ3 3.85Å; Y27-W30 HydrophobicContact CD1-CZ3 3.85Å; Y27-W30 AromaticContact CE1-CE3 4Å; Y27-W30 HydrophobicContact CE1-CE3 4Å; Y27-W30 HydrophobicContact CE1-CH2 4.23Å; Y27-W30 AromaticContact CE1-CZ3 3.63Å; Y27-W30 HydrophobicContact CE1-CZ3 3.63Å; Y27-W30 PolarHBondContact O-N 3.25Å; Y27-Y31 WeakPolarHBondContact O-CB 3.27Å; Y27-Y31 PolarHBondContact O-N 3.27Å; Y27-T56 HydrophobicContact CD1-CG2 4.37Å; Y27-T56 HydrophobicContact CD2-CG2 3.73Å; Y27-T56 HydrophobicContact CE1-CG2 4.35Å; Y27-T56 HydrophobicContact CE2-CG2 3.68Å; Y27-T56 HydrophobicContact CG-CG2 4.1Å; Y27-P65 VanDerWaalsContact OH-CA 3.26Å; Y27-P65 WeakPolarHBondContact OH-CA 3.3Å; Y27-P65 WeakPolarHBondContact OH-CB 3.45Å; Y27-V67 HydrophobicContact CD1-CG2 3.99Å; Y27-V67 HydrophobicContact CG-CG2 4.46Å
28E97.9Very high97.9Very high137 Ų13762.7 Ų62.764%0.6430%0.304SS*.Hα-helixtrans-64.8-41.8174.8-176.7172.4-158.200111.1D26 Y31 E32D26-E28 VanDerWaalsContact C-N 3.27Å; D26-E28 PolarHBondContact O-N 3.07Å; E28-Y31 WeakPolarHBondContact O-CB 3.37Å; E28-Y31 PolarHBondContact O-N 3.39Å; E28-E32 PolarHBondContact O-N 2.93Å
29K98.4Very high98Very high122 Ų12265.8 Ų65.853%0.5332%0.323SS..Hα-helixtrans-63.9-44.9175.9179.7-179.4172.2-174.80111.7D26 Y31 E32 E33D26-K29 WeakPolarHBondContact O-CB 3.29Å; D26-K29 PolarHBondContact O-N 2.94Å; K29-Y31 VanDerWaalsContact C-N 3.29Å; K29-Y31 PolarHBondContact O-N 2.69Å; K29-E32 PolarHBondContact O-N 3.43Å; K29-E33 WeakPolarHBondContact CE-OE1 3.32Å; K29-E33 HydrophobicContact CG-CG 4.48Å; K29-E33 WeakPolarHBondContact O-CB 3.48Å; K29-E33 WeakPolarHBondContact O-CG 3.48Å; K29-E33 PolarHBondContact O-N 3.01Å
30W98.5Very high98.1Very high20 Ų2069.4 Ų69.48%0.07634%0.339CS..Hα-helixtrans-61.1-41.7177.3-64.33.3000111.1D26 Y27 E34 V67 E116 K117 Y119D26-W30 PolarHBondContact O-N 2.77Å; Y27-W30 HydrophobicContact CD1-CD2 4.36Å; Y27-W30 AromaticContact CD1-CE3 3.72Å; Y27-W30 HydrophobicContact CD1-CE3 3.72Å; Y27-W30 AromaticContact CD1-CZ3 3.85Å; Y27-W30 HydrophobicContact CD1-CZ3 3.85Å; Y27-W30 AromaticContact CE1-CE3 4Å; Y27-W30 HydrophobicContact CE1-CE3 4Å; Y27-W30 HydrophobicContact CE1-CH2 4.23Å; Y27-W30 AromaticContact CE1-CZ3 3.63Å; Y27-W30 HydrophobicContact CE1-CZ3 3.63Å; Y27-W30 PolarHBondContact O-N 3.25Å; W30-E34 WeakPolarHBondContact O-CB 3.42Å; W30-E34 PolarHBondContact O-N 3.44Å; W30-V67 HydrophobicContact CB-CG2 4.23Å; W30-V67 HydrophobicContact CE3-CG2 4.19Å; W30-E116 WeakPolarHBondContact CH2-O 3.12Å; W30-E116 HydrophobicContact CZ2-CG 4.41Å; W30-E116 WeakPolarHBondContact CZ3-O 3.28Å; W30-K117 HydrophobicContact CD2-CB 4.44Å; W30-K117 HydrophobicContact CD2-CD 4.26Å; W30-K117 HydrophobicContact CD2-CG 3.84Å; W30-K117 HydrophobicContact CE3-CB 4.29Å; W30-K117 HydrophobicContact CE3-CG 4.13Å; W30-K117 HydrophobicContact CG-CD 4.09Å; W30-K117 HydrophobicContact CG-CG 4.2Å; W30-K117 HydrophobicContact CH2-CG 4.5Å; W30-K117 HydrophobicContact CZ2-CG 4.25Å; W30-K117 HydrophobicContact CZ3-CG 4.44Å; W30-Y119 HydrophobicContact CB-CE1 4.25Å; W30-Y119 PolarHBondContact O-OH 3.47Å
31Y98.8Very high98.2Very high12 Ų1270.6 Ų70.65%0.04735%0.345CS..Hα-helixtrans-60.3-50.2173.6163.5-108.5000112.2Y27 E28 K29 E33 E34 K35 I50 N51 H52 I69Y27-Y31 WeakPolarHBondContact O-CB 3.27Å; Y27-Y31 PolarHBondContact O-N 3.27Å; E28-Y31 WeakPolarHBondContact O-CB 3.37Å; E28-Y31 PolarHBondContact O-N 3.39Å; K29-Y31 VanDerWaalsContact C-N 3.29Å; K29-Y31 PolarHBondContact O-N 2.69Å; Y31-E33 VanDerWaalsContact C-N 3.35Å; Y31-E33 PolarHBondContact O-N 2.64Å; Y31-E34 PolarHBondContact O-N 2.69Å; Y31-K35 HydrophobicContact CE1-CD 4.02Å; Y31-K35 HydrophobicContact CE2-CB 4.17Å; Y31-K35 HydrophobicContact CE2-CD 4.42Å; Y31-K35 WeakPolarHBondContact O-CB 3.39Å; Y31-K35 PolarHBondContact O-N 2.74Å; Y31-I50 HydrophobicContact CE2-CG2 4.42Å; Y31-I50 PolarHBondContact OH-O 2.91Å; Y31-N51 VanDerWaalsContact CE2-C 3.48Å; Y31-N51 WeakPolarHBondContact OH-CA 3.37Å; Y31-N51 PolarHBondContact OH-N 2.94Å; Y31-H52 HydrophobicContact CD1-CB 3.62Å; Y31-H52 HydrophobicContact CD2-CB 3.63Å; Y31-H52 AromaticContact CD2-CG 3.96Å; Y31-H52 HydrophobicContact CE1-CB 3.72Å; Y31-H52 HydrophobicContact CE2-CB 3.75Å; Y31-H52 HydrophobicContact CG-CB 3.55Å; Y31-H52 AromaticContact CG-CG 3.68Å; Y31-H52 AromaticContact CG-ND1 3.9Å; Y31-H52 PolarHBondContact OH-N 3.41Å; Y31-I69 HydrophobicContact CD2-CD1 4.17Å; Y31-I69 HydrophobicContact CD2-CG1 4.02Å; Y31-I69 HydrophobicContact CE2-CG1 4.44Å; Y31-I69 HydrophobicContact CE2-CG2 4.25Å
32E98.7Very high98.3Very high83 Ų8365 Ų6539%0.38832%0.321SS..Hα-helixtrans-64.9-37.7-178.2-70.9-63.6153.200112.1E28 K29 K35 Q36E28-E32 PolarHBondContact O-N 2.93Å; K29-E32 PolarHBondContact O-N 3.43Å; E32-K35 IonicContact OE1-NZ 3.53Å; E32-K35 PolarHBondContact OE1-NZ 3.12Å; E32-K35 VanDerWaalsContact OE2-CD 3.28Å; E32-K35 WeakPolarHBondContact OE2-CD 3.28Å; E32-K35 IonicContact OE2-NZ 3.25Å; E32-K35 PolarHBondContact OE2-NZ 3.35Å; E32-Q36 WeakPolarHBondContact O-CB 3.19Å; E32-Q36 PolarHBondContact O-N 2.99Å
33E98.5Very high98.3Very high63 Ų6362.5 Ų62.529%0.29432%0.319SS..Hα-helixtrans-62.3-44.2173.4-73.3172.9175.800112.3K29 Y31 Q36 Q37 K117K29-E33 WeakPolarHBondContact CE-OE1 3.32Å; K29-E33 HydrophobicContact CG-CG 4.48Å; K29-E33 WeakPolarHBondContact O-CB 3.48Å; K29-E33 WeakPolarHBondContact O-CG 3.48Å; K29-E33 PolarHBondContact O-N 3.01Å; Y31-E33 VanDerWaalsContact C-N 3.35Å; Y31-E33 PolarHBondContact O-N 2.64Å; E33-Q36 PolarHBondContact O-N 2.98Å; E33-Q37 PolarHBondContact O-N 3.41Å; E33-Q37 PolarHBondContact O-NE2 2.98Å; E33-K117 IonicContact OE1-NZ 3.44Å; E33-K117 IonicContact OE2-NZ 3.88Å; E33-K117 PolarHBondContact OE2-NZ 3.01Å
34E98.5Very high98.2Very high4 Ų466 Ų662%0.01934%0.34CS..Hα-helixtrans-74.6-35.6-179.5-160.664.9-149.500111.7W30 Y31 Q36 Q37 L38 I69 W91 K107 Y119W30-E34 WeakPolarHBondContact O-CB 3.42Å; W30-E34 PolarHBondContact O-N 3.44Å; Y31-E34 PolarHBondContact O-N 2.69Å; E34-Q36 VanDerWaalsContact C-N 3.31Å; E34-Q36 PolarHBondContact O-N 2.87Å; E34-Q37 WeakPolarHBondContact O-CB 3.43Å; E34-Q37 PolarHBondContact O-N 2.76Å; E34-Q37 PolarHBondContact OE2-NE2 3.47Å; E34-L38 WeakPolarHBondContact O-CG 3.49Å; E34-L38 PolarHBondContact O-N 3.23Å; E34-I69 HydrophobicContact CB-CD1 3.91Å; E34-I69 HydrophobicContact CG-CD1 3.87Å; E34-W91 HydrophobicContact CG-CH2 4.28Å; E34-W91 HydrophobicContact CG-CZ2 3.94Å; E34-W91 WeakPolarHBondContact OE1-CZ2 3.45Å; E34-K107 IonicContact OE1-NZ 3.23Å; E34-K107 PolarHBondContact OE1-NZ 3.1Å; E34-K107 IonicContact OE2-NZ 2.83Å; E34-Y119 HydrophobicContact CB-CD1 4.1Å; E34-Y119 HydrophobicContact CB-CE1 3.63Å; E34-Y119 HydrophobicContact CG-CD1 3.94Å; E34-Y119 HydrophobicContact CG-CD2 4.34Å; E34-Y119 HydrophobicContact CG-CE1 3.89Å; E34-Y119 HydrophobicContact CG-CE2 4.25Å; E34-Y119 HydrophobicContact CG-CG 4.18Å; E34-Y119 WeakPolarHBondContact OE2-CE2 3.48Å
35K98.8Very high98.1Very high56 Ų5665 Ų6524%0.24333%0.333CS..Hα-helixtrans-60.5-40.1171.3175.6-164-177.1-176.30111.8Y31 E32 L38 T39 I50Y31-K35 HydrophobicContact CE1-CD 4.02Å; Y31-K35 HydrophobicContact CE2-CB 4.17Å; Y31-K35 HydrophobicContact CE2-CD 4.42Å; Y31-K35 WeakPolarHBondContact O-CB 3.39Å; Y31-K35 PolarHBondContact O-N 2.74Å; E32-K35 IonicContact OE1-NZ 3.53Å; E32-K35 PolarHBondContact OE1-NZ 3.12Å; E32-K35 VanDerWaalsContact OE2-CD 3.28Å; E32-K35 WeakPolarHBondContact OE2-CD 3.28Å; E32-K35 IonicContact OE2-NZ 3.25Å; E32-K35 PolarHBondContact OE2-NZ 3.35Å; K35-L38 PolarHBondContact O-N 2.98Å; K35-T39 WeakPolarHBondContact O-CB 3.46Å; K35-T39 PolarHBondContact O-N 2.93Å; K35-T39 PolarHBondContact O-OG1 3.45Å; K35-I50 HydrophobicContact CB-CG2 4.33Å; K35-I50 HydrophobicContact CG-CB 4.06Å; K35-I50 HydrophobicContact CG-CD1 4.21Å; K35-I50 HydrophobicContact CG-CG2 3.9Å
36Q98.6Very high97.9Very high117 Ų11763.3 Ų63.355%0.54732%0.324SS..Hα-helixtrans-61.8-48.6174.3-176.9180-1000110.7E32 E33 E34 L38 T39 E40E32-Q36 WeakPolarHBondContact O-CB 3.19Å; E32-Q36 PolarHBondContact O-N 2.99Å; E33-Q36 PolarHBondContact O-N 2.98Å; E34-Q36 VanDerWaalsContact C-N 3.31Å; E34-Q36 PolarHBondContact O-N 2.87Å; Q36-L38 VanDerWaalsContact C-N 3.31Å; Q36-L38 PolarHBondContact O-N 2.87Å; Q36-T39 WeakPolarHBondContact O-CB 3.3Å; Q36-T39 PolarHBondContact O-N 3.05Å; Q36-T39 VanDerWaalsContact O-N 3.11Å; Q36-E40 WeakPolarHBondContact CG-OE1 3.4Å; Q36-E40 PolarHBondContact NE2-OE1 3.5Å; Q36-E40 WeakPolarHBondContact O-CG 3.34Å; Q36-E40 PolarHBondContact O-N 2.9Å
37Q98.5Very high97.9Very high88 Ų8862 Ų6241%0.41132%0.317SS..Hα-helixtrans-57.2-43.1176.2-72.9172.675.100112.3E33 E34 E40 L41E33-Q37 PolarHBondContact O-N 3.41Å; E33-Q37 PolarHBondContact O-NE2 2.98Å; E34-Q37 WeakPolarHBondContact O-CB 3.43Å; E34-Q37 PolarHBondContact O-N 2.76Å; E34-Q37 PolarHBondContact OE2-NE2 3.47Å; Q37-E40 PolarHBondContact O-N 3.41Å; Q37-L41 VanDerWaalsContact O-CB 3.31Å; Q37-L41 WeakPolarHBondContact O-CB 3.5Å; Q37-L41 PolarHBondContact O-N 3.42Å
38L98.7Very high97.9Very high2 Ų266.3 Ų66.31%0.0134%0.337CS..Hα-helixtrans-64.6-40.3176.4-70.3169.6000111.8E34 K35 Q36 E40 L41 F42 I50 I69 L71 L86 W91 L121E34-L38 WeakPolarHBondContact O-CG 3.49Å; E34-L38 PolarHBondContact O-N 3.23Å; K35-L38 PolarHBondContact O-N 2.98Å; Q36-L38 VanDerWaalsContact C-N 3.31Å; Q36-L38 PolarHBondContact O-N 2.87Å; L38-E40 VanDerWaalsContact C-N 3.34Å; L38-E40 PolarHBondContact O-N 2.95Å; L38-L41 PolarHBondContact O-N 3.36Å; L38-F42 HydrophobicContact CD2-CE2 4.46Å; L38-F42 WeakPolarHBondContact O-CB 3.2Å; L38-F42 WeakPolarHBondContact O-CD2 3.47Å; L38-F42 PolarHBondContact O-N 2.66Å; L38-F42 VanDerWaalsContact O-N 3.15Å; L38-I50 HydrophobicContact CB-CD1 4.13Å; L38-I69 HydrophobicContact CD1-CD1 4.35Å; L38-I69 HydrophobicContact CD1-CG2 4.08Å; L38-L71 HydrophobicContact CD2-CD2 4.45Å; L38-L86 HydrophobicContact CD2-CD2 3.74Å; L38-W91 HydrophobicContact CD2-CZ2 4.25Å; L38-L121 HydrophobicContact CD1-CD1 3.85Å; L38-L121 HydrophobicContact CD2-CD2 3.92Å
39T98.6Very high97.9Very high66 Ų6662.8 Ų62.841%0.40532%0.318SS..Hα-helixtrans-63.5-42177.8-56.50000111.2K35 Q36 F42 A43K35-T39 WeakPolarHBondContact O-CB 3.46Å; K35-T39 PolarHBondContact O-N 2.93Å; K35-T39 PolarHBondContact O-OG1 3.45Å; Q36-T39 WeakPolarHBondContact O-CB 3.3Å; Q36-T39 PolarHBondContact O-N 3.05Å; Q36-T39 VanDerWaalsContact O-N 3.11Å; T39-F42 CarbonylContact O-C 3.58Å; T39-F42 PolarHBondContact O-N 2.97Å; T39-A43 WeakPolarHBondContact O-CA 3.36Å; T39-A43 PolarHBondContact O-N 3.44Å; T39-A43 VanDerWaalsContact O-N 3.11Å
40E98.4Very high97.9Very high124 Ų12457.9 Ų57.958%0.57930%0.297SS*.Hα-helixtrans-68.2-42.2177.2-70172.2-169.200111.9Q36 Q37 L38 F42 A43Q36-E40 WeakPolarHBondContact CG-OE1 3.4Å; Q36-E40 PolarHBondContact NE2-OE1 3.5Å; Q36-E40 WeakPolarHBondContact O-CG 3.34Å; Q36-E40 PolarHBondContact O-N 2.9Å; Q37-E40 PolarHBondContact O-N 3.41Å; L38-E40 VanDerWaalsContact C-N 3.34Å; L38-E40 PolarHBondContact O-N 2.95Å; E40-F42 PolarHBondContact O-N 3.18Å; E40-A43 WeakPolarHBondContact O-CB 3.31Å; E40-A43 PolarHBondContact O-N 3.03Å
41L98.5Very high97.8Very high50 Ų5058.9 Ų58.926%0.26230%0.304SS..Hα-helixtrans-60.3-30.6177.8-179.363.1000113.1Q37 L38 R85 L86 A89Q37-L41 VanDerWaalsContact O-CB 3.31Å; Q37-L41 WeakPolarHBondContact O-CB 3.5Å; Q37-L41 PolarHBondContact O-N 3.42Å; L38-L41 PolarHBondContact O-N 3.36Å; L41-R85 HydrophobicContact CD1-CB 4.35Å; L41-R85 HydrophobicContact CG-CB 4.42Å; L41-R85 PolarHBondContact O-NH1 3.11Å; L41-L86 HydrophobicContact CD2-CD2 4.04Å; L41-A89 HydrophobicContact CD1-CB 4.11Å; L41-A89 HydrophobicContact CD2-CB 3.65Å
42F98.4Very high97.8Very high1 Ų159 Ų590%0.00431%0.305CS..THydrogen-bonded Turntrans-115.726.5-175.8-71.4-69000112.2L38 T39 E40 D44 F45 I47 L71 F73 A82 R85 L86L38-F42 HydrophobicContact CD2-CE2 4.46Å; L38-F42 WeakPolarHBondContact O-CB 3.2Å; L38-F42 WeakPolarHBondContact O-CD2 3.47Å; L38-F42 PolarHBondContact O-N 2.66Å; L38-F42 VanDerWaalsContact O-N 3.15Å; T39-F42 CarbonylContact O-C 3.58Å; T39-F42 PolarHBondContact O-N 2.97Å; E40-F42 PolarHBondContact O-N 3.18Å; F42-D44 PolarHBondContact O-N 3.04Å; F42-D44 VanDerWaalsContact O-N 3.15Å; F42-F45 HydrophobicContact CB-CB 3.93Å; F42-F45 HydrophobicContact CD1-CB 3.7Å; F42-F45 HydrophobicContact CD1-CD1 4.19Å; F42-F45 HydrophobicContact CD1-CD2 4.41Å; F42-F45 AromaticContact CD1-CG 3.87Å; F42-F45 HydrophobicContact CD1-CG 3.87Å; F42-F45 HydrophobicContact CE1-CG 4.49Å; F42-F45 HydrophobicContact CG-CB 4.3Å; F42-F45 PolarHBondContact O-N 3.46Å; F42-I47 HydrophobicContact CB-CD1 3.49Å; F42-I47 VanDerWaalsContact CB-CD1 3.49Å; F42-I47 HydrophobicContact CB-CG1 3.82Å; F42-I47 HydrophobicContact CG-CD1 4.48Å; F42-L71 HydrophobicContact CD2-CD2 4.18Å; F42-L71 HydrophobicContact CE2-CD2 3.84Å; F42-F73 HydrophobicContact CD1-CE1 4.27Å; F42-F73 AromaticContact CD1-CZ 3.82Å; F42-F73 HydrophobicContact CD1-CZ 3.82Å; F42-F73 HydrophobicContact CD2-CZ 4.04Å; F42-F73 HydrophobicContact CE1-CE2 4.48Å; F42-F73 AromaticContact CE1-CZ 3.82Å; F42-F73 HydrophobicContact CE1-CZ 3.82Å; F42-F73 HydrophobicContact CE2-CZ 4.07Å; F42-F73 HydrophobicContact CG-CE1 4.29Å; F42-F73 AromaticContact CG-CZ 3.92Å; F42-F73 HydrophobicContact CG-CZ 3.92Å; F42-F73 HydrophobicContact CZ-CE2 4.42Å; F42-F73 AromaticContact CZ-CZ 3.94Å; F42-F73 HydrophobicContact CZ-CZ 3.94Å; F42-A82 HydrophobicContact CE1-CB 4.19Å; F42-A82 HydrophobicContact CZ-CB 4.34Å; F42-R85 HydrophobicContact CE1-CB 4.09Å; F42-R85 HydrophobicContact CZ-CB 4.22Å; F42-L86 HydrophobicContact CE2-CD1 4.49Å; F42-L86 HydrophobicContact CE2-CD2 3.83Å; F42-L86 HydrophobicContact CE2-CG 4.02Å; F42-L86 HydrophobicContact CZ-CD1 4.18Å; F42-L86 HydrophobicContact CZ-CD2 4.16Å; F42-L86 HydrophobicContact CZ-CG 3.81Å
43A97.5Very high97.8Very high84 Ų8455.2 Ų55.269%0.69429%0.287SS*.THydrogen-bonded Turntrans-59.4-27.9-176.700000114T39 E40T39-A43 WeakPolarHBondContact O-CA 3.36Å; T39-A43 PolarHBondContact O-N 3.44Å; T39-A43 VanDerWaalsContact O-N 3.11Å; E40-A43 WeakPolarHBondContact O-CB 3.31Å; E40-A43 PolarHBondContact O-N 3.03Å
44D96.4Very high97.8Very high121 Ų12153.5 Ų53.565%0.64729%0.287SS*.THydrogen-bonded Turntrans-100.38.8175.564.1-39.6000113.2F42 R85F42-D44 PolarHBondContact O-N 3.04Å; F42-D44 VanDerWaalsContact O-N 3.15Å; D44-R85 IonicContact OD1-CZ 3.7Å; D44-R85 IonicContact OD1-NH1 3.98Å; D44-R85 PolarHBondContact OD1-NH1 2.79Å; D44-R85 IonicContact OD1-NH2 2.6Å; D44-R85 IonicContact OD2-CZ 2.66Å; D44-R85 IonicContact OD2-NH1 3.52Å; D44-R85 IonicContact OD2-NH2 3.63Å; D44-R85 PolarHBondContact OD2-NH2 3.05Å
45F94.7Very high97.7Very high28 Ų2854.1 Ų54.112%0.12329%0.292CS..SBendtrans-117.9141.3-178.5-152.7-85000109.7F42 I47 F73 Y77 D78 E81 A82F42-F45 HydrophobicContact CB-CB 3.93Å; F42-F45 HydrophobicContact CD1-CB 3.7Å; F42-F45 HydrophobicContact CD1-CD1 4.19Å; F42-F45 HydrophobicContact CD1-CD2 4.41Å; F42-F45 AromaticContact CD1-CG 3.87Å; F42-F45 HydrophobicContact CD1-CG 3.87Å; F42-F45 HydrophobicContact CE1-CG 4.49Å; F42-F45 HydrophobicContact CG-CB 4.3Å; F42-F45 PolarHBondContact O-N 3.46Å; F45-I47 VanDerWaalsContact C-N 3.28Å; F45-I47 PolarHBondContact O-N 2.91Å; F45-F73 AromaticContact CD1-CD1 3.45Å; F45-F73 HydrophobicContact CD1-CD1 3.45Å; F45-F73 VanDerWaalsContact CD1-CD1 3.45Å; F45-F73 AromaticContact CD1-CE1 3.25Å; F45-F73 HydrophobicContact CD1-CE1 3.25Å; F45-F73 HydrophobicContact CD1-CE2 4.5Å; F45-F73 HydrophobicContact CD1-CG 4.18Å; F45-F73 AromaticContact CD1-CZ 3.83Å; F45-F73 HydrophobicContact CD1-CZ 3.83Å; F45-F73 AromaticContact CE1-CD1 3.62Å; F45-F73 HydrophobicContact CE1-CD1 3.62Å; F45-F73 HydrophobicContact CE1-CD2 4.19Å; F45-F73 AromaticContact CE1-CE1 3.73Å; F45-F73 HydrophobicContact CE1-CE1 3.73Å; F45-F73 HydrophobicContact CE1-CE2 4.27Å; F45-F73 AromaticContact CE1-CG 3.87Å; F45-F73 HydrophobicContact CE1-CG 3.87Å; F45-F73 HydrophobicContact CE1-CZ 4.05Å; F45-F73 HydrophobicContact CG-CE1 4.29Å; F45-Y77 HydrophobicContact CE1-CD2 4.07Å; F45-Y77 HydrophobicContact CE1-CG 4.49Å; F45-Y77 HydrophobicContact CZ-CD2 4.15Å; F45-D78 HydrophobicContact CE2-CB 4.3Å; F45-D78 HydrophobicContact CZ-CB 4.16Å; F45-E81 HydrophobicContact CE2-CB 4.37Å; F45-E81 HydrophobicContact CE2-CG 4.01Å; F45-A82 HydrophobicContact CZ-CB 4.43Å
46P94.1Very high97.7Very high73 Ų7351.6 Ų51.647%0.47428%0.281SS..  trans-77.463-166.531.2-39.4000114.5Q48 P74P46-Q48 PolarHBondContact O-N 3.29Å; P46-P74 HydrophobicContact CB-CG 3.8Å; P46-P74 HydrophobicContact CG-CG 3.73Å; P46-P74 WeakPolarHBondContact O-CD 3.33Å
47I98.1Very high97.7Very high46 Ų4646.3 Ų46.324%0.23626%0.257CS..  trans-51.8125174.5-62.2168.5000110F42 F45 I50 L71 F73F42-I47 HydrophobicContact CB-CD1 3.49Å; F42-I47 VanDerWaalsContact CB-CD1 3.49Å; F42-I47 HydrophobicContact CB-CG1 3.82Å; F42-I47 HydrophobicContact CG-CD1 4.48Å; F45-I47 VanDerWaalsContact C-N 3.28Å; F45-I47 PolarHBondContact O-N 2.91Å; I47-I50 HydrophobicContact CD1-CD1 4.13Å; I47-I50 HydrophobicContact CG2-CD1 4.13Å; I47-I50 HydrophobicContact CG2-CG1 3.69Å; I47-L71 HydrophobicContact CG1-CD1 4.19Å; I47-L71 HydrophobicContact CG2-CD1 3.98Å; I47-F73 HydrophobicContact CB-CE1 4.34Å; I47-F73 HydrophobicContact CG1-CD1 4.28Å; I47-F73 HydrophobicContact CG1-CE1 3.56Å; I47-F73 HydrophobicContact CG1-CZ 4.41Å
48Q97.6Very high97.6Very high95 Ų9542.4 Ų42.444%0.44424%0.239SC..  trans-88.1-48.3173.9-69.7-63.9-55.100111P46 E72 P74 I126P46-Q48 PolarHBondContact O-N 3.29Å; Q48-E72 HydrophobicContact CB-CB 4.45Å; Q48-E72 WeakPolarHBondContact CB-O 3.21Å; Q48-E72 PolarHBondContact N-O 2.92Å; Q48-P74 HydrophobicContact CG-CB 4.49Å; Q48-P74 HydrophobicContact CG-CG 4.01Å; Q48-I126 HydrophobicContact CB-CB 4.18Å; Q48-I126 HydrophobicContact CB-CD1 3.63Å; Q48-I126 HydrophobicContact CB-CG1 4.25Å; Q48-I126 HydrophobicContact CG-CB 4.13Å; Q48-I126 HydrophobicContact CG-CD1 3.98Å; Q48-I126 HydrophobicContact CG-CG2 4.41Å
49R96.8Very high97.5Very high63 Ų6350.3 Ų50.324%0.23828%0.276CS..EExtended strand (participates in β ladder)trans-154151.6-178.6-53.6179.4-166.1163.60.7110.9E72 I126 Y189R49-E72 HydrophobicContact CB-CB 4.29Å; R49-E72 WeakPolarHBondContact CD-OE2 3.37Å; R49-E72 PolarHBondContact N-O 3.44Å; R49-E72 PolarHBondContact O-N 2.81Å; R49-I126 HydrophobicContact CG-CD1 4.48Å; R49-Y189 PolarHBondContact NH1-O 3.11Å
50I98.3Very high97.4Very high19 Ų1949.7 Ų49.710%0.09728%0.282CS..EExtended strand (participates in β ladder)trans-132.4128.1166-45.5-173.8000107.4Y31 K35 L38 I47 I69 L70 L71Y31-I50 HydrophobicContact CE2-CG2 4.42Å; Y31-I50 PolarHBondContact OH-O 2.91Å; K35-I50 HydrophobicContact CB-CG2 4.33Å; K35-I50 HydrophobicContact CG-CB 4.06Å; K35-I50 HydrophobicContact CG-CD1 4.21Å; K35-I50 HydrophobicContact CG-CG2 3.9Å; L38-I50 HydrophobicContact CB-CD1 4.13Å; I47-I50 HydrophobicContact CD1-CD1 4.13Å; I47-I50 HydrophobicContact CG2-CD1 4.13Å; I47-I50 HydrophobicContact CG2-CG1 3.69Å; I50-I69 HydrophobicContact CG2-CG2 3.68Å; I50-L70 CarbonylContact C-O 3.47Å; I50-L70 WeakPolarHBondContact CA-O 3.42Å; I50-L71 HydrophobicContact CD1-CD1 3.95Å; I50-L71 HydrophobicContact CG1-CD1 3.69Å
51N98.2Very high97.3Very high42 Ų4244 Ų4423%0.22526%0.256CS..EExtended strand (participates in β ladder)trans-138.5141.7-174.4-83.9-85.4000112.8Y31 I53 I69 L70 F132Y31-N51 VanDerWaalsContact CE2-C 3.48Å; Y31-N51 WeakPolarHBondContact OH-CA 3.37Å; Y31-N51 PolarHBondContact OH-N 2.94Å; N51-I53 HydrophobicContact CB-CG2 4.4Å; N51-I69 WeakPolarHBondContact O-CA 3.19Å; N51-L70 PolarHBondContact N-O 3.15Å; N51-L70 PolarHBondContact O-N 3.25Å; N51-F132 HydrophobicContact CB-CD1 4.37Å; N51-F132 HydrophobicContact CB-CE1 3.44Å; N51-F132 VanDerWaalsContact CB-CE1 3.44Å; N51-F132 HydrophobicContact CB-CZ 4.16Å
52H98.6Very high97.3Very high13 Ų1342.6 Ų42.66%0.0625%0.248CC..EExtended strand (participates in β ladder)trans-76.8119.5166.9-164.3-176000109.1Y31 T56 S57 D68 R135Y31-H52 HydrophobicContact CD1-CB 3.62Å; Y31-H52 HydrophobicContact CD2-CB 3.63Å; Y31-H52 AromaticContact CD2-CG 3.96Å; Y31-H52 HydrophobicContact CE1-CB 3.72Å; Y31-H52 HydrophobicContact CE2-CB 3.75Å; Y31-H52 HydrophobicContact CG-CB 3.55Å; Y31-H52 AromaticContact CG-CG 3.68Å; Y31-H52 AromaticContact CG-ND1 3.9Å; Y31-H52 PolarHBondContact OH-N 3.41Å; H52-T56 PolarHBondContact CE1-O 2.84Å; H52-T56 PolarHBondContact NE2-OG1 3.13Å; H52-S57 VanDerWaalsContact CE1-CA 3.45Å; H52-S57 WeakPolarHBondContact CE1-CA 3.36Å; H52-S57 PolarHBondContact NE2-N 3.27Å; H52-D68 PolarHBondContact CD2-O 2.94Å; H52-R135 WeakPolarHBondContact O-CD 3.12Å; H52-R135 PolarHBondContact O-NH1 3.27Å
53I98.3Very high97.2Very high4 Ų442.5 Ų42.52%0.02125%0.248CC..EExtended strand (participates in β ladder)trans-121.9-170.3177.759.6158.4000110N51 S57 D68 L70 E131 F132N51-I53 HydrophobicContact CB-CG2 4.4Å; I53-S57 WeakPolarHBondContact O-CB 3.46Å; I53-S57 PolarHBondContact O-OG 2.85Å; I53-D68 HydrophobicContact CD1-CB 4.47Å; I53-D68 HydrophobicContact CG1-CB 3.87Å; I53-D68 WeakPolarHBondContact CG1-O 3.48Å; I53-D68 PolarHBondContact N-O 3.23Å; I53-L70 HydrophobicContact CD1-CB 3.87Å; I53-L70 HydrophobicContact CG1-CB 4.15Å; I53-L70 HydrophobicContact CG2-CB 4.14Å; I53-E131 HydrophobicContact CB-CB 4.2Å; I53-E131 HydrophobicContact CD1-CB 3.88Å; I53-E131 HydrophobicContact CD1-CG 3.88Å; I53-E131 HydrophobicContact CG2-CB 4.14Å; I53-F132 HydrophobicContact CG2-CD1 3.94Å; I53-F132 HydrophobicContact CG2-CE1 3.84Å
54G97.3Very high97.2Very high27 Ų2740.2 Ų40.228%0.27822%0.222SC..THydrogen-bonded Turntrans70.7-174.9177.600000114T56 S57G54-T56 VanDerWaalsContact C-N 3.35Å; G54-T56 PolarHBondContact O-N 3.3Å; G54-S57 PolarHBondContact O-N 3.37Å; G54-S57 PolarHBondContact O-OG 2.72Å
55S97.9Very high97.3Very high18 Ų1835.3 Ų35.313%0.12620%0.197CC..G310 helixtrans-69.1-30.7-173-67.70000113.2S57 I58 K152S55-S57 PolarHBondContact O-N 3.07Å; S55-I58 PolarHBondContact O-N 2.88Å; S55-I58 VanDerWaalsContact O-N 3.1Å; S55-K152 PolarHBondContact OG-NZ 2.9Å
56T98.3Very high97.4Very high2 Ų234 Ų341%0.01219%0.192CC..G310 helixtrans-70.5-16.5-17952.50000113.3Y27 H52 G54 I58 A63 K64 I66Y27-T56 HydrophobicContact CD1-CG2 4.37Å; Y27-T56 HydrophobicContact CD2-CG2 3.73Å; Y27-T56 HydrophobicContact CE1-CG2 4.35Å; Y27-T56 HydrophobicContact CE2-CG2 3.68Å; Y27-T56 HydrophobicContact CG-CG2 4.1Å; H52-T56 PolarHBondContact CE1-O 2.84Å; H52-T56 PolarHBondContact NE2-OG1 3.13Å; G54-T56 VanDerWaalsContact C-N 3.35Å; G54-T56 PolarHBondContact O-N 3.3Å; T56-I58 PolarHBondContact O-N 3.28Å; T56-A63 HydrophobicContact CG2-CB 3.83Å; T56-K64 WeakPolarHBondContact CG2-O 3.25Å; T56-I66 WeakPolarHBondContact CG2-O 3.43Å; T56-I66 PolarHBondContact OG1-O 3.48Å; T56-I66 VanDerWaalsContact OG1-O 3.11Å
57S98Very high97.7Very high6 Ų630.6 Ų30.64%0.04217%0.169CC..G310 helixtrans-79.3-3.6171.972.90000113.7H52 I53 G54 S55 R135 R139H52-S57 VanDerWaalsContact CE1-CA 3.45Å; H52-S57 WeakPolarHBondContact CE1-CA 3.36Å; H52-S57 PolarHBondContact NE2-N 3.27Å; I53-S57 WeakPolarHBondContact O-CB 3.46Å; I53-S57 PolarHBondContact O-OG 2.85Å; G54-S57 PolarHBondContact O-N 3.37Å; G54-S57 PolarHBondContact O-OG 2.72Å; S55-S57 PolarHBondContact O-N 3.07Å; S57-R135 WeakPolarHBondContact OG-CD 3.4Å; S57-R135 WeakPolarHBondContact OG-CG 3.49Å; S57-R139 VanDerWaalsContact O-CZ 3.24Å; S57-R139 PolarHBondContact O-NE 2.69Å; S57-R139 PolarHBondContact O-NH2 2.94Å
58I97.8Very high97.7Very high6 Ų629.5 Ų29.53%0.03116%0.164CC..SBendtrans-109.7114.4-177.7-56162.3000108.1H23 S55 T56 G60 L61 R135 L138 R139H23-I58 PolarHBondContact CE1-O 3.05Å; H23-I58 PolarHBondContact ND1-O 3.37Å; H23-I58 VanDerWaalsContact ND1-O 3.1Å; S55-I58 PolarHBondContact O-N 2.88Å; S55-I58 VanDerWaalsContact O-N 3.1Å; T56-I58 PolarHBondContact O-N 3.28Å; I58-G60 PolarHBondContact O-N 3.48Å; I58-L61 HydrophobicContact CB-CB 3.91Å; I58-L61 HydrophobicContact CB-CD2 3.98Å; I58-L61 HydrophobicContact CD1-CD2 3.61Å; I58-L61 HydrophobicContact CG1-CD2 4.39Å; I58-L61 HydrophobicContact CG2-CB 3.86Å; I58-L61 HydrophobicContact CG2-CD2 4.26Å; I58-L61 WeakPolarHBondContact O-CB 3.46Å; I58-L61 PolarHBondContact O-N 3.35Å; I58-R135 HydrophobicContact CG1-CG 4.22Å; I58-L138 HydrophobicContact CD1-CB 3.61Å; I58-L138 HydrophobicContact CD1-CD1 3.46Å; I58-L138 VanDerWaalsContact CD1-CD1 3.46Å; I58-L138 HydrophobicContact CD1-CG 4.09Å; I58-L138 HydrophobicContact CG1-CB 4.44Å; I58-L138 HydrophobicContact CG2-CB 4.48Å; I58-R139 HydrophobicContact CG1-CG 4.29Å; I58-R139 HydrophobicContact CG2-CG 4.23Å
59E95.9Very high97.8Very high169 Ų16925 Ų2579%0.7914%0.143SC*.THydrogen-bonded Turntrans-58.6134179.5-170.1177-177.500111.1L61E59-L61 PolarHBondContact O-N 3.21Å
60G96Very high97.8Very high53 Ų5322 Ų2255%0.54613%0.131SC..THydrogen-bonded Turntrans76.8-7.9178.800000115.7H23 I58H23-G60 VanDerWaalsContact CG-N 3.31Å; I58-G60 PolarHBondContact O-N 3.48Å
61L97.6Very high97.9Very high3 Ų321.1 Ų21.12%0.01613%0.127CC..  trans-81.7127.8-177.8-169.878000112I58 E59 A63 L138 A145 Y148 E149I58-L61 HydrophobicContact CB-CB 3.91Å; I58-L61 HydrophobicContact CB-CD2 3.98Å; I58-L61 HydrophobicContact CD1-CD2 3.61Å; I58-L61 HydrophobicContact CG1-CD2 4.39Å; I58-L61 HydrophobicContact CG2-CB 3.86Å; I58-L61 HydrophobicContact CG2-CD2 4.26Å; I58-L61 WeakPolarHBondContact O-CB 3.46Å; I58-L61 PolarHBondContact O-N 3.35Å; E59-L61 PolarHBondContact O-N 3.21Å; L61-A63 PolarHBondContact O-N 2.97Å; L61-L138 HydrophobicContact CD2-CD1 4.35Å; L61-A145 HydrophobicContact CD1-CB 3.95Å; L61-Y148 HydrophobicContact CD2-CD1 4.2Å; L61-E149 VanDerWaalsContact CA-OE1 3.28Å; L61-E149 WeakPolarHBondContact CA-OE1 3.31Å; L61-E149 HydrophobicContact CD1-CG 3.28Å; L61-E149 HydrophobicContact CG-CG 4.2Å
62I97.2Very high97.9Very high21 Ų2119.1 Ų19.111%0.10812%0.116CC..  trans-57.7137.6172-156.3-178.7000110.1L20 K21 E149 K152 L153L20-I62 HydrophobicContact CB-CD1 3.81Å; L20-I62 HydrophobicContact CB-CG1 4.12Å; K21-I62 VanDerWaalsContact C-CG1 3.45Å; K21-I62 WeakPolarHBondContact O-CA 3.44Å; K21-I62 WeakPolarHBondContact O-CG1 3.5Å; I62-E149 HydrophobicContact CG2-CB 3.85Å; I62-E149 HydrophobicContact CG2-CG 3.84Å; I62-E149 PolarHBondContact N-OE1 2.87Å; I62-K152 WeakPolarHBondContact O-CE 3.47Å; I62-K152 PolarHBondContact O-NZ 3.31Å; I62-L153 HydrophobicContact CD1-CD2 3.81Å; I62-L153 HydrophobicContact CD1-CG 4.48Å
63A97.2Very high97.9Very high0 Ų018.5 Ų18.50%011%0.113CC..BIsolated β-bridgetrans-146.9162.7-175.800000112.6L20 K21 T56 L61L20-A63 WeakPolarHBondContact CA-O 3.27Å; K21-A63 PolarHBondContact N-O 2.83Å; K21-A63 PolarHBondContact O-N 3.46Å; T56-A63 HydrophobicContact CG2-CB 3.83Å; L61-A63 PolarHBondContact O-N 2.97Å
64K97Very high97.8Very high35 Ų3520 Ų2015%0.15212%0.123CC..  trans-61.1134.3153.3-64-178.3-62.6175.60106.2I18 I19 L20 T56 I66 Y166I18-K64 HydrophobicContact CD1-CD 4Å; I19-K64 WeakPolarHBondContact O-CA 3.44Å; L20-K64 HydrophobicContact CD2-CG 4.15Å; T56-K64 WeakPolarHBondContact CG2-O 3.25Å; K64-I66 HydrophobicContact CB-CD1 4.21Å; K64-I66 HydrophobicContact CB-CG1 4.26Å; K64-I66 PolarHBondContact O-N 2.98Å; K64-Y166 HydrophobicContact CD-CE1 4.49Å
65P97.6Very high97.7Very high18 Ų1825 Ų2512%0.11714%0.144CC..SBendtrans-76.461.1-178.133.5-36.7000111I19 K21 Y27I19-P65 HydrophobicContact CD1-CG 3.62Å; I19-P65 HydrophobicContact CG1-CG 3.99Å; K21-P65 HydrophobicContact CD-CB 4.17Å; K21-P65 HydrophobicContact CD-CG 4.11Å; K21-P65 HydrophobicContact CG-CG 4.47Å; Y27-P65 VanDerWaalsContact OH-CA 3.26Å; Y27-P65 WeakPolarHBondContact OH-CA 3.3Å; Y27-P65 WeakPolarHBondContact OH-CB 3.45Å
66I98.3Very high97.6Very high2 Ų226.9 Ų26.91%0.0117%0.166CC..  trans-135.4124.7-175.1-56.2176.5000106.8T56 K64 F114 V118 H120T56-I66 WeakPolarHBondContact CG2-O 3.43Å; T56-I66 PolarHBondContact OG1-O 3.48Å; T56-I66 VanDerWaalsContact OG1-O 3.11Å; K64-I66 HydrophobicContact CB-CD1 4.21Å; K64-I66 HydrophobicContact CB-CG1 4.26Å; K64-I66 PolarHBondContact O-N 2.98Å; I66-F114 HydrophobicContact CD1-CE1 4.45Å; I66-F114 HydrophobicContact CD1-CZ 4.47Å; I66-V118 WeakPolarHBondContact CA-O 3.44Å; I66-V118 HydrophobicContact CD1-CG1 4.42Å; I66-V118 HydrophobicContact CG1-CB 4.21Å; I66-V118 HydrophobicContact CG1-CG1 3.93Å; I66-V118 HydrophobicContact CG2-CG1 4.15Å; I66-H120 HydrophobicContact CG2-CB 4.18Å
67V98.8Very high97.6Very high0 Ų027.5 Ų27.50%017%0.168CC..EExtended strand (participates in β ladder)trans-83.6115.9176.3170.20000108.7Y27 W30 I69 V118 Y119 H120Y27-V67 HydrophobicContact CD1-CG2 3.99Å; Y27-V67 HydrophobicContact CG-CG2 4.46Å; W30-V67 HydrophobicContact CB-CG2 4.23Å; W30-V67 HydrophobicContact CE3-CG2 4.19Å; V67-I69 HydrophobicContact CG1-CD1 4.28Å; V67-I69 HydrophobicContact CG1-CG1 3.92Å; V67-V118 PolarHBondContact N-O 3.28Å; V67-Y119 HydrophobicContact CB-CD1 3.63Å; V67-Y119 HydrophobicContact CB-CE1 3.96Å; V67-Y119 HydrophobicContact CG1-CD1 3.85Å; V67-Y119 HydrophobicContact CG1-CE1 4.11Å; V67-Y119 HydrophobicContact CG2-CE1 4.41Å; V67-Y119 VanDerWaalsContact O-CA 3.29Å; V67-Y119 WeakPolarHBondContact O-CA 3.37Å; V67-H120 PolarHBondContact O-N 3Å
68D98.8Very high97.5Very high24 Ų2431.4 Ų31.413%0.12819%0.189CC..EExtended strand (participates in β ladder)trans-90.6123.6176.6-56.9-85.3000109.8H52 I53 H120 H122H52-D68 PolarHBondContact CD2-O 2.94Å; I53-D68 HydrophobicContact CD1-CB 4.47Å; I53-D68 HydrophobicContact CG1-CB 3.87Å; I53-D68 WeakPolarHBondContact CG1-O 3.48Å; I53-D68 PolarHBondContact N-O 3.23Å; D68-H120 CarbonylContact C-O 3.57Å; D68-H120 WeakPolarHBondContact CA-O 3.47Å; D68-H120 IonicContact OD1-CG 3.58Å; D68-H120 IonicContact OD1-ND1 3.49Å; D68-H122 IonicContact OD1-NE2 3.69Å
69I98.9Very high97.5Very high0 Ų031.7 Ų31.70%019%0.191CC..EExtended strand (participates in β ladder)trans-118.4130.8-177.7-53.9-177000108.7Y31 E34 L38 I50 N51 V67 Y119 H120 L121 H122Y31-I69 HydrophobicContact CD2-CD1 4.17Å; Y31-I69 HydrophobicContact CD2-CG1 4.02Å; Y31-I69 HydrophobicContact CE2-CG1 4.44Å; Y31-I69 HydrophobicContact CE2-CG2 4.25Å; E34-I69 HydrophobicContact CB-CD1 3.91Å; E34-I69 HydrophobicContact CG-CD1 3.87Å; L38-I69 HydrophobicContact CD1-CD1 4.35Å; L38-I69 HydrophobicContact CD1-CG2 4.08Å; I50-I69 HydrophobicContact CG2-CG2 3.68Å; N51-I69 WeakPolarHBondContact O-CA 3.19Å; V67-I69 HydrophobicContact CG1-CD1 4.28Å; V67-I69 HydrophobicContact CG1-CG1 3.92Å; I69-Y119 HydrophobicContact CD1-CD1 4.03Å; I69-H120 PolarHBondContact N-O 2.73Å; I69-L121 HydrophobicContact CB-CD1 3.86Å; I69-L121 HydrophobicContact CG2-CD1 3.77Å; I69-H122 PolarHBondContact O-N 3.03Å
70L98.8Very high97.5Very high0 Ų029 Ų290%018%0.178CC..EExtended strand (participates in β ladder)trans-105114.1169.1-178.754.9000109.2I50 N51 I53 E72 H122 R124 W129 F132I50-L70 CarbonylContact C-O 3.47Å; I50-L70 WeakPolarHBondContact CA-O 3.42Å; N51-L70 PolarHBondContact N-O 3.15Å; N51-L70 PolarHBondContact O-N 3.25Å; I53-L70 HydrophobicContact CD1-CB 3.87Å; I53-L70 HydrophobicContact CG1-CB 4.15Å; I53-L70 HydrophobicContact CG2-CB 4.14Å; L70-E72 HydrophobicContact CD1-CG 4.3Å; L70-E72 HydrophobicContact CG-CG 4.02Å; L70-H122 WeakPolarHBondContact CA-O 3.34Å; L70-H122 HydrophobicContact CD1-CB 3.95Å; L70-H122 WeakPolarHBondContact CD1-O 3.3Å; L70-R124 HydrophobicContact CD1-CB 4.47Å; L70-R124 HydrophobicContact CD1-CG 4.08Å; L70-W129 HydrophobicContact CD2-CB 4.09Å; L70-W129 HydrophobicContact CD2-CG 3.98Å; L70-F132 HydrophobicContact CD2-CE1 3.9Å; L70-F132 HydrophobicContact CD2-CE2 4.06Å; L70-F132 HydrophobicContact CD2-CZ 3.48Å; L70-F132 VanDerWaalsContact CD2-CZ 3.48Å; L70-F132 HydrophobicContact CG-CZ 4.3Å
71L98.8Very high97.6Very high0 Ų030.1 Ų30.10%017%0.169CC..EExtended strand (participates in β ladder)trans-104.4119.3174.9170.960.8000108.7L38 F42 I47 I50 F73 L121 H122 V123 R124L38-L71 HydrophobicContact CD2-CD2 4.45Å; F42-L71 HydrophobicContact CD2-CD2 4.18Å; F42-L71 HydrophobicContact CE2-CD2 3.84Å; I47-L71 HydrophobicContact CG1-CD1 4.19Å; I47-L71 HydrophobicContact CG2-CD1 3.98Å; I50-L71 HydrophobicContact CD1-CD1 3.95Å; I50-L71 HydrophobicContact CG1-CD1 3.69Å; L71-F73 HydrophobicContact CD1-CE1 4.28Å; L71-F73 HydrophobicContact CD1-CE2 4.45Å; L71-F73 HydrophobicContact CD1-CZ 4.05Å; L71-F73 HydrophobicContact CD2-CE2 3.79Å; L71-F73 HydrophobicContact CD2-CZ 3.71Å; L71-F73 HydrophobicContact CG-CE2 3.87Å; L71-F73 HydrophobicContact CG-CZ 3.91Å; L71-L121 HydrophobicContact CB-CD1 3.8Å; L71-L121 HydrophobicContact CD2-CD1 4.49Å; L71-H122 PolarHBondContact N-O 2.91Å; L71-V123 HydrophobicContact CB-CG2 4.46Å; L71-V123 HydrophobicContact CD2-CG1 4.42Å; L71-V123 HydrophobicContact CD2-CG2 4.24Å; L71-V123 HydrophobicContact CG-CG1 4.38Å; L71-V123 VanDerWaalsContact O-CA 3.3Å; L71-V123 WeakPolarHBondContact O-CA 3.42Å; L71-R124 PolarHBondContact O-N 3.06Å
72E98.4Very high97.6Very high0 Ų030 Ų300%017%0.168CC..EExtended strand (participates in β ladder)trans-112.9132.1-177-64.417788.800111Q48 R49 L70 R124 I126 G127 W129 F132Q48-E72 HydrophobicContact CB-CB 4.45Å; Q48-E72 WeakPolarHBondContact CB-O 3.21Å; Q48-E72 PolarHBondContact N-O 2.92Å; R49-E72 HydrophobicContact CB-CB 4.29Å; R49-E72 WeakPolarHBondContact CD-OE2 3.37Å; R49-E72 PolarHBondContact N-O 3.44Å; R49-E72 PolarHBondContact O-N 2.81Å; L70-E72 HydrophobicContact CD1-CG 4.3Å; L70-E72 HydrophobicContact CG-CG 4.02Å; E72-R124 VanDerWaalsContact CA-O 3.29Å; E72-R124 WeakPolarHBondContact CA-O 3.22Å; E72-I126 HydrophobicContact CB-CB 4.44Å; E72-I126 WeakPolarHBondContact OE1-CA 3.49Å; E72-G127 PolarHBondContact OE1-N 3.45Å; E72-W129 PolarHBondContact OE1-NE1 3.1Å; E72-F132 VanDerWaalsContact OE2-CZ 3.31Å; E72-F132 WeakPolarHBondContact OE2-CZ 3.22Å
73F98.3Very high97.6Very high0 Ų029 Ų290%016%0.164CC..EExtended strand (participates in β ladder)trans-113171.1172.9-67.6-61.4000110.7F42 F45 I47 L71 Y77 A82 V123 R124 A125 I126F42-F73 HydrophobicContact CD1-CE1 4.27Å; F42-F73 AromaticContact CD1-CZ 3.82Å; F42-F73 HydrophobicContact CD1-CZ 3.82Å; F42-F73 HydrophobicContact CD2-CZ 4.04Å; F42-F73 HydrophobicContact CE1-CE2 4.48Å; F42-F73 AromaticContact CE1-CZ 3.82Å; F42-F73 HydrophobicContact CE1-CZ 3.82Å; F42-F73 HydrophobicContact CE2-CZ 4.07Å; F42-F73 HydrophobicContact CG-CE1 4.29Å; F42-F73 AromaticContact CG-CZ 3.92Å; F42-F73 HydrophobicContact CG-CZ 3.92Å; F42-F73 HydrophobicContact CZ-CE2 4.42Å; F42-F73 AromaticContact CZ-CZ 3.94Å; F42-F73 HydrophobicContact CZ-CZ 3.94Å; F45-F73 AromaticContact CD1-CD1 3.45Å; F45-F73 HydrophobicContact CD1-CD1 3.45Å; F45-F73 VanDerWaalsContact CD1-CD1 3.45Å; F45-F73 AromaticContact CD1-CE1 3.25Å; F45-F73 HydrophobicContact CD1-CE1 3.25Å; F45-F73 HydrophobicContact CD1-CE2 4.5Å; F45-F73 HydrophobicContact CD1-CG 4.18Å; F45-F73 AromaticContact CD1-CZ 3.83Å; F45-F73 HydrophobicContact CD1-CZ 3.83Å; F45-F73 AromaticContact CE1-CD1 3.62Å; F45-F73 HydrophobicContact CE1-CD1 3.62Å; F45-F73 HydrophobicContact CE1-CD2 4.19Å; F45-F73 AromaticContact CE1-CE1 3.73Å; F45-F73 HydrophobicContact CE1-CE1 3.73Å; F45-F73 HydrophobicContact CE1-CE2 4.27Å; F45-F73 AromaticContact CE1-CG 3.87Å; F45-F73 HydrophobicContact CE1-CG 3.87Å; F45-F73 HydrophobicContact CE1-CZ 4.05Å; F45-F73 HydrophobicContact CG-CE1 4.29Å; I47-F73 HydrophobicContact CB-CE1 4.34Å; I47-F73 HydrophobicContact CG1-CD1 4.28Å; I47-F73 HydrophobicContact CG1-CE1 3.56Å; I47-F73 HydrophobicContact CG1-CZ 4.41Å; L71-F73 HydrophobicContact CD1-CE1 4.28Å; L71-F73 HydrophobicContact CD1-CE2 4.45Å; L71-F73 HydrophobicContact CD1-CZ 4.05Å; L71-F73 HydrophobicContact CD2-CE2 3.79Å; L71-F73 HydrophobicContact CD2-CZ 3.71Å; L71-F73 HydrophobicContact CG-CE2 3.87Å; L71-F73 HydrophobicContact CG-CZ 3.91Å; F73-Y77 HydrophobicContact CB-CD1 3.63Å; F73-Y77 HydrophobicContact CB-CD2 3.99Å; F73-Y77 HydrophobicContact CB-CE1 4.27Å; F73-Y77 HydrophobicContact CB-CG 3.47Å; F73-Y77 VanDerWaalsContact CB-CG 3.47Å; F73-Y77 HydrophobicContact CD2-CD1 4.46Å; F73-Y77 AromaticContact CD2-CD2 3.66Å; F73-Y77 HydrophobicContact CD2-CD2 3.66Å; F73-Y77 HydrophobicContact CD2-CE1 4.49Å; F73-Y77 AromaticContact CD2-CE2 3.7Å; F73-Y77 HydrophobicContact CD2-CE2 3.7Å; F73-Y77 HydrophobicContact CD2-CG 4.06Å; F73-Y77 HydrophobicContact CE2-CD2 4.44Å; F73-Y77 HydrophobicContact CE2-CE2 4.35Å; F73-Y77 HydrophobicContact CG-CD1 4.5Å; F73-Y77 HydrophobicContact CG-CD2 4.06Å; F73-Y77 HydrophobicContact CG-CE2 4.5Å; F73-Y77 HydrophobicContact CG-CG 4.06Å; F73-A82 HydrophobicContact CE2-CB 4.21Å; F73-V123 HydrophobicContact CD2-CG1 3.57Å; F73-V123 HydrophobicContact CE2-CG1 3.49Å; F73-V123 VanDerWaalsContact CE2-CG1 3.49Å; F73-R124 PolarHBondContact N-O 3.38Å; F73-A125 CarbonylContact O-C 3.41Å; F73-A125 WeakPolarHBondContact O-CA 3.33Å; F73-I126 WeakPolarHBondContact O-CB 3.43Å; F73-I126 PolarHBondContact O-N 3.37Å
74P97Very high97.7Very high36 Ų3630.5 Ų30.523%0.23418%0.176CC..  trans-64.4155.1174.1-1532.5000109.8P46 Q48 G76 Y77P46-P74 HydrophobicContact CB-CG 3.8Å; P46-P74 HydrophobicContact CG-CG 3.73Å; P46-P74 WeakPolarHBondContact O-CD 3.33Å; Q48-P74 HydrophobicContact CG-CB 4.49Å; Q48-P74 HydrophobicContact CG-CG 4.01Å; P74-G76 PolarHBondContact O-N 3.49Å; P74-Y77 WeakPolarHBondContact O-CB 3.46Å; P74-Y77 WeakPolarHBondContact O-CD1 2.79Å; P74-Y77 PolarHBondContact O-N 3.46Å; P74-Y77 VanDerWaalsContact O-N 3.15Å
75D95.7Very high97.7Very high132 Ų13231 Ų3171%0.70618%0.177SC*.THydrogen-bonded Turntrans-53.8138167.4-16855000110Q101D75-Q101 PolarHBondContact OD1-OE1 3.5Å
76G95.9Very high97.8Very high58 Ų5830.1 Ų30.160%0.59817%0.171SC*.THydrogen-bonded Turntrans7812.2-175.600000115.9P74 Q101P74-G76 PolarHBondContact O-N 3.49Å; G76-Q101 VanDerWaalsContact C-NE2 3.34Å
77Y97.3Very high97.7Very high14 Ų1434.7 Ų34.76%0.05519%0.191CC..  trans-59.6153.6174.180.3-84.1000113F45 F73 P74 V79 A82 Q101 V123F45-Y77 HydrophobicContact CE1-CD2 4.07Å; F45-Y77 HydrophobicContact CE1-CG 4.49Å; F45-Y77 HydrophobicContact CZ-CD2 4.15Å; F73-Y77 HydrophobicContact CB-CD1 3.63Å; F73-Y77 HydrophobicContact CB-CD2 3.99Å; F73-Y77 HydrophobicContact CB-CE1 4.27Å; F73-Y77 HydrophobicContact CB-CG 3.47Å; F73-Y77 VanDerWaalsContact CB-CG 3.47Å; F73-Y77 HydrophobicContact CD2-CD1 4.46Å; F73-Y77 AromaticContact CD2-CD2 3.66Å; F73-Y77 HydrophobicContact CD2-CD2 3.66Å; F73-Y77 HydrophobicContact CD2-CE1 4.49Å; F73-Y77 AromaticContact CD2-CE2 3.7Å; F73-Y77 HydrophobicContact CD2-CE2 3.7Å; F73-Y77 HydrophobicContact CD2-CG 4.06Å; F73-Y77 HydrophobicContact CE2-CD2 4.44Å; F73-Y77 HydrophobicContact CE2-CE2 4.35Å; F73-Y77 HydrophobicContact CG-CD1 4.5Å; F73-Y77 HydrophobicContact CG-CD2 4.06Å; F73-Y77 HydrophobicContact CG-CE2 4.5Å; F73-Y77 HydrophobicContact CG-CG 4.06Å; P74-Y77 WeakPolarHBondContact O-CB 3.46Å; P74-Y77 WeakPolarHBondContact O-CD1 2.79Å; P74-Y77 PolarHBondContact O-N 3.46Å; P74-Y77 VanDerWaalsContact O-N 3.15Å; Y77-V79 HydrophobicContact CD2-CG2 4.41Å; Y77-V79 HydrophobicContact CE1-CG2 4.23Å; Y77-V79 HydrophobicContact CE2-CB 4.29Å; Y77-V79 HydrophobicContact CE2-CG2 3.92Å; Y77-V79 PolarHBondContact O-N 2.96Å; Y77-A82 HydrophobicContact CD2-CB 4.17Å; Y77-A82 HydrophobicContact CE2-CB 3.86Å; Y77-Q101 HydrophobicContact CD1-CB 4.44Å; Y77-Q101 HydrophobicContact CE1-CB 3.79Å; Y77-Q101 PolarHBondContact O-NE2 3.08Å; Y77-Q101 PolarHBondContact OH-O 3.27Å; Y77-Q101 VanDerWaalsContact OH-O 3.1Å; Y77-V123 HydrophobicContact CE2-CG1 4.23Å
78D96.5Very high97.7Very high88 Ų8841.8 Ų41.847%0.47123%0.229SC..  trans-72.594.9177.4-168-26.8000110.7F45 E80 E81 A82F45-D78 HydrophobicContact CE2-CB 4.3Å; F45-D78 HydrophobicContact CZ-CB 4.16Å; D78-E80 VanDerWaalsContact C-N 3.28Å; D78-E80 PolarHBondContact O-N 2.94Å; D78-E80 PolarHBondContact OD1-N 2.86Å; D78-E80 VanDerWaalsContact OD1-N 3.12Å; D78-E81 HydrophobicContact CB-CB 3.92Å; D78-E81 VanDerWaalsContact CG-CB 3.44Å; D78-E81 PolarHBondContact OD1-N 2.95Å; D78-A82 WeakPolarHBondContact O-CB 3.49Å; D78-A82 PolarHBondContact O-N 3.29Å
79V97.2Very high97.6Very high12 Ų1242.5 Ų42.57%0.07324%0.239CC..Hα-helixtrans-62.1-36.8-179.5-178.20000111.2Y77 S83 Q101 L103Y77-V79 HydrophobicContact CD2-CG2 4.41Å; Y77-V79 HydrophobicContact CE1-CG2 4.23Å; Y77-V79 HydrophobicContact CE2-CB 4.29Å; Y77-V79 HydrophobicContact CE2-CG2 3.92Å; Y77-V79 PolarHBondContact O-N 2.96Å; V79-S83 WeakPolarHBondContact O-CB 3.42Å; V79-S83 PolarHBondContact O-N 2.63Å; V79-Q101 HydrophobicContact CG2-CB 3.96Å; V79-Q101 HydrophobicContact CG2-CG 4.16Å; V79-L103 HydrophobicContact CG1-CD1 4.42Å; V79-L103 HydrophobicContact CG1-CD2 3.69Å; V79-L103 HydrophobicContact CG1-CG 4.09Å
80E96.7Very high97.5Very high114 Ų11444.8 Ų44.853%0.53326%0.262SS..Hα-helixtrans-71.1-46-177.4-64.9-173.2174.200110.9D78 S83 A84 K98D78-E80 VanDerWaalsContact C-N 3.28Å; D78-E80 PolarHBondContact O-N 2.94Å; D78-E80 PolarHBondContact OD1-N 2.86Å; D78-E80 VanDerWaalsContact OD1-N 3.12Å; E80-S83 PolarHBondContact O-N 2.69Å; E80-A84 WeakPolarHBondContact O-CB 3.45Å; E80-A84 PolarHBondContact O-N 2.81Å; E80-K98 IonicContact OE1-NZ 2.87Å; E80-K98 PolarHBondContact OE1-NZ 3.42Å
81E97.2Very high97.5Very high75 Ų7545.2 Ų45.235%0.3526%0.264SS..Hα-helixtrans-63-43.4175.6177.761.9-173.200111.2F45 D78 S83 A84 R85F45-E81 HydrophobicContact CE2-CB 4.37Å; F45-E81 HydrophobicContact CE2-CG 4.01Å; D78-E81 HydrophobicContact CB-CB 3.92Å; D78-E81 VanDerWaalsContact CG-CB 3.44Å; D78-E81 PolarHBondContact OD1-N 2.95Å; E81-S83 PolarHBondContact O-N 2.94Å; E81-A84 PolarHBondContact O-N 3.27Å; E81-R85 WeakPolarHBondContact O-CG 3.14Å; E81-R85 PolarHBondContact O-N 3.45Å; E81-R85 IonicContact OE1-CZ 2.64Å; E81-R85 IonicContact OE1-NE 3.16Å; E81-R85 PolarHBondContact OE1-NE 3.35Å; E81-R85 IonicContact OE1-NH2 3.52Å; E81-R85 PolarHBondContact OE1-NH2 3.4Å
82A98.1Very high97.4Very high0 Ų048.5 Ų48.50%028%0.28CS..Hα-helixtrans-61.2-46176.300000112F42 F45 F73 Y77 D78 A84 R85 L86 L103F42-A82 HydrophobicContact CE1-CB 4.19Å; F42-A82 HydrophobicContact CZ-CB 4.34Å; F45-A82 HydrophobicContact CZ-CB 4.43Å; F73-A82 HydrophobicContact CE2-CB 4.21Å; Y77-A82 HydrophobicContact CD2-CB 4.17Å; Y77-A82 HydrophobicContact CE2-CB 3.86Å; D78-A82 WeakPolarHBondContact O-CB 3.49Å; D78-A82 PolarHBondContact O-N 3.29Å; A82-A84 PolarHBondContact O-N 2.73Å; A82-R85 PolarHBondContact O-N 3.15Å; A82-L86 WeakPolarHBondContact O-CB 3.49Å; A82-L86 WeakPolarHBondContact O-CD1 3.38Å; A82-L86 WeakPolarHBondContact O-CG 3.48Å; A82-L86 PolarHBondContact O-N 3.2Å; A82-L103 HydrophobicContact CB-CD1 4.35Å
83S98Very high97.3Very high1 Ų150.9 Ų50.91%0.00729%0.293CS..Hα-helixtrans-59.1-45.6174.9177.90000111.3V79 E80 E81 L86 K87 E96V79-S83 WeakPolarHBondContact O-CB 3.42Å; V79-S83 PolarHBondContact O-N 2.63Å; E80-S83 PolarHBondContact O-N 2.69Å; E81-S83 PolarHBondContact O-N 2.94Å; S83-L86 PolarHBondContact O-N 2.96Å; S83-K87 WeakPolarHBondContact O-CB 3.34Å; S83-K87 VanDerWaalsContact O-CE 3.27Å; S83-K87 WeakPolarHBondContact O-CE 3.48Å; S83-K87 WeakPolarHBondContact O-CG 3.47Å; S83-K87 PolarHBondContact O-N 2.91Å; S83-K87 PolarHBondContact OG-NZ 3.28Å; S83-E96 PolarHBondContact OG-OE2 2.91Å
84A97.9Very high97.1Very high32 Ų3255.8 Ų55.826%0.26432%0.317SS..Hα-helixtrans-62.1-47.6179.400000112.3E80 E81 A82 L86 K87 N88E80-A84 WeakPolarHBondContact O-CB 3.45Å; E80-A84 PolarHBondContact O-N 2.81Å; E81-A84 PolarHBondContact O-N 3.27Å; A82-A84 PolarHBondContact O-N 2.73Å; A84-L86 PolarHBondContact O-N 3.25Å; A84-K87 PolarHBondContact O-N 3.44Å; A84-N88 WeakPolarHBondContact O-CB 3.4Å; A84-N88 PolarHBondContact O-N 3.21Å; A84-N88 PolarHBondContact O-ND2 3.04Å
85R98.2Very high97Very high44 Ų4458.6 Ų58.617%0.16633%0.329CS..Hα-helixtrans-59.9-45.9177.2-73178.5-179.2-142.56.1112.3L41 F42 D44 E81 A82 N88 A89L41-R85 HydrophobicContact CD1-CB 4.35Å; L41-R85 HydrophobicContact CG-CB 4.42Å; L41-R85 PolarHBondContact O-NH1 3.11Å; F42-R85 HydrophobicContact CE1-CB 4.09Å; F42-R85 HydrophobicContact CZ-CB 4.22Å; D44-R85 IonicContact OD1-CZ 3.7Å; D44-R85 IonicContact OD1-NH1 3.98Å; D44-R85 PolarHBondContact OD1-NH1 2.79Å; D44-R85 IonicContact OD1-NH2 2.6Å; D44-R85 IonicContact OD2-CZ 2.66Å; D44-R85 IonicContact OD2-NH1 3.52Å; D44-R85 IonicContact OD2-NH2 3.63Å; D44-R85 PolarHBondContact OD2-NH2 3.05Å; E81-R85 WeakPolarHBondContact O-CG 3.14Å; E81-R85 PolarHBondContact O-N 3.45Å; E81-R85 IonicContact OE1-CZ 2.64Å; E81-R85 IonicContact OE1-NE 3.16Å; E81-R85 PolarHBondContact OE1-NE 3.35Å; E81-R85 IonicContact OE1-NH2 3.52Å; E81-R85 PolarHBondContact OE1-NH2 3.4Å; A82-R85 PolarHBondContact O-N 3.15Å; R85-N88 PolarHBondContact O-N 3.48Å; R85-A89 WeakPolarHBondContact O-CB 3.46Å; R85-A89 PolarHBondContact O-N 3.37Å
86L98.5Very high97Very high0 Ų055.5 Ų55.50%031%0.311CS..Hα-helixtrans-63.8-44.8179.5-73.5164.7000111.9L38 L41 F42 A82 S83 A84 N88 A89 G90 W91 L103 L105 L121 V123L38-L86 HydrophobicContact CD2-CD2 3.74Å; L41-L86 HydrophobicContact CD2-CD2 4.04Å; F42-L86 HydrophobicContact CE2-CD1 4.49Å; F42-L86 HydrophobicContact CE2-CD2 3.83Å; F42-L86 HydrophobicContact CE2-CG 4.02Å; F42-L86 HydrophobicContact CZ-CD1 4.18Å; F42-L86 HydrophobicContact CZ-CD2 4.16Å; F42-L86 HydrophobicContact CZ-CG 3.81Å; A82-L86 WeakPolarHBondContact O-CB 3.49Å; A82-L86 WeakPolarHBondContact O-CD1 3.38Å; A82-L86 WeakPolarHBondContact O-CG 3.48Å; A82-L86 PolarHBondContact O-N 3.2Å; S83-L86 PolarHBondContact O-N 2.96Å; A84-L86 PolarHBondContact O-N 3.25Å; L86-N88 VanDerWaalsContact C-N 3.32Å; L86-N88 PolarHBondContact O-N 3.09Å; L86-A89 CarbonylContact O-C 3.58Å; L86-A89 WeakPolarHBondContact O-CA 3.33Å; L86-A89 PolarHBondContact O-N 3.14Å; L86-A89 VanDerWaalsContact O-N 3.08Å; L86-G90 PolarHBondContact O-N 2.94Å; L86-W91 HydrophobicContact CB-CB 4.07Å; L86-W91 HydrophobicContact CB-CG 4.22Å; L86-W91 HydrophobicContact CD2-CD2 4.5Å; L86-W91 HydrophobicContact CD2-CG 4.06Å; L86-W91 VanDerWaalsContact O-CB 3.32Å; L86-W91 WeakPolarHBondContact O-CB 3.2Å; L86-W91 VanDerWaalsContact O-CD1 3.3Å; L86-W91 PolarHBondContact O-N 3.37Å; L86-L103 HydrophobicContact CD1-CD1 4.4Å; L86-L105 HydrophobicContact CB-CD2 3.74Å; L86-L105 HydrophobicContact CD1-CD1 3.9Å; L86-L105 HydrophobicContact CD1-CD2 4.06Å; L86-L105 HydrophobicContact CG-CD2 4.47Å; L86-L121 HydrophobicContact CD1-CD2 3.96Å; L86-L121 HydrophobicContact CD2-CD2 3.46Å; L86-L121 VanDerWaalsContact CD2-CD2 3.46Å; L86-L121 HydrophobicContact CG-CD2 4.36Å; L86-V123 HydrophobicContact CD1-CG2 3.78Å
87K97.9Very high97Very high99 Ų9954.5 Ų54.543%0.4329%0.291SS..Hα-helixtrans-59.2-43.9174.8-73.6179.1-62.8-164.70111.8S83 A84 A89 G90 W91 L93S83-K87 WeakPolarHBondContact O-CB 3.34Å; S83-K87 VanDerWaalsContact O-CE 3.27Å; S83-K87 WeakPolarHBondContact O-CE 3.48Å; S83-K87 WeakPolarHBondContact O-CG 3.47Å; S83-K87 PolarHBondContact O-N 2.91Å; S83-K87 PolarHBondContact OG-NZ 3.28Å; A84-K87 PolarHBondContact O-N 3.44Å; K87-A89 PolarHBondContact O-N 3.27Å; K87-G90 PolarHBondContact O-N 3.01Å; K87-W91 WeakPolarHBondContact CA-O 3.45Å; K87-L93 HydrophobicContact CD-CB 4.21Å; K87-L93 HydrophobicContact CD-CD2 4.39Å; K87-L93 HydrophobicContact CG-CB 4.31Å
88N97.7Very high96.9Very high148 Ų14859 Ų5979%0.79131%0.311SS*.Hα-helixtrans-63.7-29.2176.3-70.1-20000112.7A84 R85 L86 G90A84-N88 WeakPolarHBondContact O-CB 3.4Å; A84-N88 PolarHBondContact O-N 3.21Å; A84-N88 PolarHBondContact O-ND2 3.04Å; R85-N88 PolarHBondContact O-N 3.48Å; L86-N88 VanDerWaalsContact C-N 3.32Å; L86-N88 PolarHBondContact O-N 3.09Å; N88-G90 PolarHBondContact O-N 2.71Å
89A97.6Very high96.8Very high40 Ų4063.8 Ų63.833%0.33133%0.331SS..THydrogen-bonded Turntrans-82.97.5173.600000114L41 R85 L86 K87L41-A89 HydrophobicContact CD1-CB 4.11Å; L41-A89 HydrophobicContact CD2-CB 3.65Å; R85-A89 WeakPolarHBondContact O-CB 3.46Å; R85-A89 PolarHBondContact O-N 3.37Å; L86-A89 CarbonylContact O-C 3.58Å; L86-A89 WeakPolarHBondContact O-CA 3.33Å; L86-A89 PolarHBondContact O-N 3.14Å; L86-A89 VanDerWaalsContact O-N 3.08Å; K87-A89 PolarHBondContact O-N 3.27Å
90G96.4Very high96.7Very high48 Ų4870.2 Ų70.250%0.49536%0.358SS..THydrogen-bonded Turntrans88.414.4175.100000115.2L86 K87 N88L86-G90 PolarHBondContact O-N 2.94Å; K87-G90 PolarHBondContact O-N 3.01Å; N88-G90 PolarHBondContact O-N 2.71Å
91W98.1Very high96.7Very high9 Ų966.2 Ų66.23%0.03434%0.339CS..  trans-79.6137.5170.4-67.286.3000111.2E34 L38 L86 K87 L105 K107 Y119 L121E34-W91 HydrophobicContact CG-CH2 4.28Å; E34-W91 HydrophobicContact CG-CZ2 3.94Å; E34-W91 WeakPolarHBondContact OE1-CZ2 3.45Å; L38-W91 HydrophobicContact CD2-CZ2 4.25Å; L86-W91 HydrophobicContact CB-CB 4.07Å; L86-W91 HydrophobicContact CB-CG 4.22Å; L86-W91 HydrophobicContact CD2-CD2 4.5Å; L86-W91 HydrophobicContact CD2-CG 4.06Å; L86-W91 VanDerWaalsContact O-CB 3.32Å; L86-W91 WeakPolarHBondContact O-CB 3.2Å; L86-W91 VanDerWaalsContact O-CD1 3.3Å; L86-W91 PolarHBondContact O-N 3.37Å; K87-W91 WeakPolarHBondContact CA-O 3.45Å; W91-L105 HydrophobicContact CB-CB 4.15Å; W91-L105 HydrophobicContact CB-CD2 3.7Å; W91-L105 HydrophobicContact CE3-CB 3.95Å; W91-K107 HydrophobicContact CD2-CB 3.96Å; W91-K107 HydrophobicContact CD2-CD 4.12Å; W91-K107 HydrophobicContact CE3-CB 3.57Å; W91-K107 HydrophobicContact CH2-CB 4.01Å; W91-K107 HydrophobicContact CH2-CD 4.31Å; W91-K107 HydrophobicContact CZ2-CB 4.38Å; W91-K107 HydrophobicContact CZ2-CD 3.91Å; W91-K107 HydrophobicContact CZ3-CB 3.58Å; W91-Y119 HydrophobicContact CH2-CG 4.22Å; W91-L121 HydrophobicContact CD2-CB 4.44Å; W91-L121 HydrophobicContact CD2-CD2 4.04Å; W91-L121 HydrophobicContact CE3-CB 3.74Å; W91-L121 HydrophobicContact CE3-CD2 4.18Å; W91-L121 HydrophobicContact CH2-CB 3.62Å; W91-L121 HydrophobicContact CH2-CD2 4.21Å; W91-L121 HydrophobicContact CH2-CG 4.41Å; W91-L121 HydrophobicContact CZ2-CB 4.31Å; W91-L121 HydrophobicContact CZ2-CD2 4.05Å; W91-L121 HydrophobicContact CZ3-CB 3.3Å; W91-L121 HydrophobicContact CZ3-CD2 4.28Å; W91-L121 HydrophobicContact CZ3-CG 4.39Å
92I96.2Very high96.7Very high68 Ų6863.7 Ų63.735%0.34933%0.329SS..EExtended strand (participates in β ladder)trans-91.7112.8175.2-54.9174.3000107.6L4 M94 L105 N106L4-I92 HydrophobicContact CD1-CD1 4.33Å; I92-M94 HydrophobicContact CG2-SD 3.83Å; I92-M94 PolarHBondContact O-N 3.39Å; I92-L105 CarbonylContact O-C 3.55Å; I92-L105 VanDerWaalsContact O-CA 3.22Å; I92-L105 WeakPolarHBondContact O-CA 3.29Å; I92-L105 WeakPolarHBondContact O-CB 3.4Å; I92-N106 PolarHBondContact N-O 3.3Å; I92-N106 PolarHBondContact O-N 3.32Å
93L96.3Very high96.7Very high51 Ų5163.7 Ų63.727%0.26733%0.329SS..EExtended strand (participates in β ladder)trans-70.1125.9175.4-179.266.6000110.2K87 I95 E96 L103 L105K87-L93 HydrophobicContact CD-CB 4.21Å; K87-L93 HydrophobicContact CD-CD2 4.39Å; K87-L93 HydrophobicContact CG-CB 4.31Å; L93-I95 WeakPolarHBondContact CD1-O 3.33Å; L93-E96 HydrophobicContact CD1-CB 4.31Å; L93-E96 HydrophobicContact CD2-CB 4.21Å; L93-E96 WeakPolarHBondContact CD2-OE2 3.32Å; L93-L103 HydrophobicContact CD1-CB 4.36Å; L93-L103 HydrophobicContact CD1-CD2 4.09Å; L93-L105 HydrophobicContact CB-CD2 4.34Å; L93-L105 HydrophobicContact CD1-CD2 4.1Å; L93-L105 HydrophobicContact CD1-CG 3.96Å
94M94.1Very high96.7Very high102 Ų10265.5 Ų65.550%0.50234%0.339SS..EExtended strand (participates in β ladder)trans-107-45.4179.8-56.2-55.8-5300111.8I92 D104 N106I92-M94 HydrophobicContact CG2-SD 3.83Å; I92-M94 PolarHBondContact O-N 3.39Å; M94-D104 WeakPolarHBondContact CA-O 3.27Å; M94-D104 WeakPolarHBondContact CB-O 3.2Å; M94-D104 PolarHBondContact N-O 3.45Å; M94-N106 HydrophobicContact CG-CB 4.25Å; M94-N106 WeakPolarHBondContact CG-ND2 3.4Å; M94-N106 HydrophobicContact SD-CB 4.39Å; M94-N106 PolarHBondContact SD-ND2 2.98Å
95I95.4Very high96.8Very high95 Ų9564 Ų6449%0.48733%0.326SS..EExtended strand (participates in β ladder)trans-136.8136.5-179.6-57.4177000108.3L93 L103 D104L93-I95 WeakPolarHBondContact CD1-O 3.33Å; I95-L103 WeakPolarHBondContact O-CA 3.36Å; I95-D104 HydrophobicContact CB-CB 4.14Å; I95-D104 PolarHBondContact N-O 2.96Å; I95-D104 PolarHBondContact O-N 3.48Å
96E96.5Very high96.7Very high68 Ų6863 Ų6332%0.31832%0.324SS..EExtended strand (participates in β ladder)trans-131.8119.8170.5175.9172154.600108.3S83 L93 K98 L103S83-E96 PolarHBondContact OG-OE2 2.91Å; L93-E96 HydrophobicContact CD1-CB 4.31Å; L93-E96 HydrophobicContact CD2-CB 4.21Å; L93-E96 WeakPolarHBondContact CD2-OE2 3.32Å; E96-K98 HydrophobicContact CG-CG 4.23Å; E96-K98 WeakPolarHBondContact OE1-CE 3.48Å; E96-K98 IonicContact OE1-NZ 3.84Å; E96-L103 HydrophobicContact CB-CD2 3.85Å; E96-L103 HydrophobicContact CG-CD2 3.59Å
97D96.4Very high96.7Very high37 Ų3765 Ų6520%0.19833%0.333CS..EExtended strand (participates in β ladder)trans-123.698.4173.2-174.2-26.9000108.1E99 K100 Q101 T102D97-E99 VanDerWaalsContact C-N 3.32Å; D97-E99 PolarHBondContact OD1-N 2.91Å; D97-E99 VanDerWaalsContact OD1-N 3.15Å; D97-K100 HydrophobicContact CB-CB 4.39Å; D97-K100 PolarHBondContact OD1-N 3Å; D97-K100 WeakPolarHBondContact OD2-CD 3.35Å; D97-K100 WeakPolarHBondContact OD2-CE 3.5Å; D97-K100 WeakPolarHBondContact OD2-CG 3.46Å; D97-K100 IonicContact OD2-NZ 2.74Å; D97-K100 PolarHBondContact OD2-NZ 2.82Å; D97-Q101 WeakPolarHBondContact O-CA 3.48Å; D97-Q101 PolarHBondContact O-N 2.8Å; D97-T102 PolarHBondContact N-O 3.06Å; D97-T102 PolarHBondContact O-N 3.43Å
98K93.6Very high96.7Very high108 Ų10861.1 Ų61.147%0.4732%0.321SS..THydrogen-bonded Turntrans-67.9-32.6-177.8-65.9-175.1-178.5-178.40112.6E80 E96 Q101E80-K98 IonicContact OE1-NZ 2.87Å; E80-K98 PolarHBondContact OE1-NZ 3.42Å; E96-K98 HydrophobicContact CG-CG 4.23Å; E96-K98 WeakPolarHBondContact OE1-CE 3.48Å; E96-K98 IonicContact OE1-NZ 3.84Å; K98-Q101 PolarHBondContact O-N 2.99Å
99E94.2Very high96.6Very high188 Ų18855.3 Ų55.388%0.87929%0.288SS*.THydrogen-bonded Turntrans-69.4-39.6-179-65.5-174.8174.300110.9D97 Q101D97-E99 VanDerWaalsContact C-N 3.32Å; D97-E99 PolarHBondContact OD1-N 2.91Å; D97-E99 VanDerWaalsContact OD1-N 3.15Å; E99-Q101 VanDerWaalsContact C-N 3.34Å
100K95.6Very high96.4Very high148 Ų14855.5 Ų55.564%0.64329%0.285SS*.THydrogen-bonded Turntrans-87.5-4.3175.8-61.2-173.6-162.4117.60114D97 T102D97-K100 HydrophobicContact CB-CB 4.39Å; D97-K100 PolarHBondContact OD1-N 3Å; D97-K100 WeakPolarHBondContact OD2-CD 3.35Å; D97-K100 WeakPolarHBondContact OD2-CE 3.5Å; D97-K100 WeakPolarHBondContact OD2-CG 3.46Å; D97-K100 IonicContact OD2-NZ 2.74Å; D97-K100 PolarHBondContact OD2-NZ 2.82Å; K100-T102 HydrophobicContact CB-CG2 4.14Å; K100-T102 WeakPolarHBondContact O-CG2 3.47Å
101Q96.8Very high96.2Very high29 Ų2955 Ų5514%0.13627%0.274CS..THydrogen-bonded Turntrans52.253.7-173.7-51.8-167.5-87.200112.5D75 G76 Y77 V79 D97 K98 E99 R124D75-Q101 PolarHBondContact OD1-OE1 3.5Å; G76-Q101 VanDerWaalsContact C-NE2 3.34Å; Y77-Q101 HydrophobicContact CD1-CB 4.44Å; Y77-Q101 HydrophobicContact CE1-CB 3.79Å; Y77-Q101 PolarHBondContact O-NE2 3.08Å; Y77-Q101 PolarHBondContact OH-O 3.27Å; Y77-Q101 VanDerWaalsContact OH-O 3.1Å; V79-Q101 HydrophobicContact CG2-CB 3.96Å; V79-Q101 HydrophobicContact CG2-CG 4.16Å; D97-Q101 WeakPolarHBondContact O-CA 3.48Å; D97-Q101 PolarHBondContact O-N 2.8Å; K98-Q101 PolarHBondContact O-N 2.99Å; E99-Q101 VanDerWaalsContact C-N 3.34Å; Q101-R124 WeakPolarHBondContact O-CA 3.45Å
102T97.9Very high95.8Very high23 Ų2361.7 Ų61.714%0.14131%0.306CS..EExtended strand (participates in β ladder)trans-128.3140.317962.60000112.5D97 K100 V123 R124D97-T102 PolarHBondContact N-O 3.06Å; D97-T102 PolarHBondContact O-N 3.43Å; K100-T102 HydrophobicContact CB-CG2 4.14Å; K100-T102 WeakPolarHBondContact O-CG2 3.47Å; T102-V123 CarbonylContact C-O 3.48Å; T102-V123 VanDerWaalsContact CA-O 3.27Å; T102-V123 WeakPolarHBondContact CA-O 3.44Å; T102-R124 HydrophobicContact CG2-CB 4.4Å; T102-R124 HydrophobicContact CG2-CG 3.92Å
103L98.5Very high95.7Very high0 Ų058.8 Ų58.80%029%0.292CS..EExtended strand (participates in β ladder)trans-126.1137.6168.9-50167.9000109.5V79 A82 L86 L93 I95 E96 L105 V123V79-L103 HydrophobicContact CG1-CD1 4.42Å; V79-L103 HydrophobicContact CG1-CD2 3.69Å; V79-L103 HydrophobicContact CG1-CG 4.09Å; A82-L103 HydrophobicContact CB-CD1 4.35Å; L86-L103 HydrophobicContact CD1-CD1 4.4Å; L93-L103 HydrophobicContact CD1-CB 4.36Å; L93-L103 HydrophobicContact CD1-CD2 4.09Å; I95-L103 WeakPolarHBondContact O-CA 3.36Å; E96-L103 HydrophobicContact CB-CD2 3.85Å; E96-L103 HydrophobicContact CG-CD2 3.59Å; L103-L105 HydrophobicContact CB-CD1 3.57Å; L103-V123 HydrophobicContact CB-CB 3.94Å; L103-V123 HydrophobicContact CB-CG2 4.19Å; L103-V123 HydrophobicContact CD1-CB 4.26Å; L103-V123 HydrophobicContact CD1-CG1 4.44Å; L103-V123 HydrophobicContact CD1-CG2 4.42Å; L103-V123 HydrophobicContact CG-CB 4.36Å; L103-V123 PolarHBondContact N-O 3.45Å; L103-V123 PolarHBondContact O-N 3.37Å
104D98.1Very high95.7Very high39 Ų3959.1 Ų59.121%0.20929%0.292CS..EExtended strand (participates in β ladder)trans-117124.9166.7-64.7-65.2000109M94 I95 H122M94-D104 WeakPolarHBondContact CA-O 3.27Å; M94-D104 WeakPolarHBondContact CB-O 3.2Å; M94-D104 PolarHBondContact N-O 3.45Å; I95-D104 HydrophobicContact CB-CB 4.14Å; I95-D104 PolarHBondContact N-O 2.96Å; I95-D104 PolarHBondContact O-N 3.48Å; D104-H122 IonicContact OD1-CE1 3.05Å; D104-H122 IonicContact OD1-CG 2.72Å; D104-H122 IonicContact OD1-ND1 3.18Å; D104-H122 PolarHBondContact OD1-ND1 2.96Å
105L98.4Very high95.8Very high1 Ų156.2 Ų56.21%0.00528%0.284CS..EExtended strand (participates in β ladder)trans-133.1154.2-175.8-51.494.3000112.3L86 W91 I92 L93 L103 H120 L121 V123L86-L105 HydrophobicContact CB-CD2 3.74Å; L86-L105 HydrophobicContact CD1-CD1 3.9Å; L86-L105 HydrophobicContact CD1-CD2 4.06Å; L86-L105 HydrophobicContact CG-CD2 4.47Å; W91-L105 HydrophobicContact CB-CB 4.15Å; W91-L105 HydrophobicContact CB-CD2 3.7Å; W91-L105 HydrophobicContact CE3-CB 3.95Å; I92-L105 CarbonylContact O-C 3.55Å; I92-L105 VanDerWaalsContact O-CA 3.22Å; I92-L105 WeakPolarHBondContact O-CA 3.29Å; I92-L105 WeakPolarHBondContact O-CB 3.4Å; L93-L105 HydrophobicContact CB-CD2 4.34Å; L93-L105 HydrophobicContact CD1-CD2 4.1Å; L93-L105 HydrophobicContact CD1-CG 3.96Å; L103-L105 HydrophobicContact CB-CD1 3.57Å; L105-H120 WeakPolarHBondContact O-CA 3.39Å; L105-L121 HydrophobicContact CB-CB 4.43Å; L105-L121 HydrophobicContact CD1-CD2 4.36Å; L105-L121 PolarHBondContact N-O 3.32Å; L105-L121 PolarHBondContact O-N 3.03Å; L105-V123 HydrophobicContact CD1-CG2 3.82Å
106N97.6Very high95.8Very high22 Ų2259.3 Ų59.312%0.11830%0.296CS..EExtended strand (participates in β ladder)trans-119.7147.1178.5-68.8-14.6000111.2I92 M94 Y109 Y119 H120I92-N106 PolarHBondContact N-O 3.3Å; I92-N106 PolarHBondContact O-N 3.32Å; M94-N106 HydrophobicContact CG-CB 4.25Å; M94-N106 WeakPolarHBondContact CG-ND2 3.4Å; M94-N106 HydrophobicContact SD-CB 4.39Å; M94-N106 PolarHBondContact SD-ND2 2.98Å; N106-Y109 HydrophobicContact CB-CD2 3.68Å; N106-Y109 HydrophobicContact CB-CE2 3.74Å; N106-Y109 HydrophobicContact CB-CG 4.42Å; N106-Y119 WeakPolarHBondContact CA-O 3.48Å; N106-H120 PolarHBondContact OD1-CD2 3.03Å; N106-H120 PolarHBondContact OD1-NE2 3.31Å
107K97.7Very high95.8Very high43 Ų4359.2 Ų59.219%0.18730%0.295CS..EExtended strand (participates in β ladder)trans-138144.1168.6-172173.7176.8-176.90109.4E34 W91 V118 Y119E34-K107 IonicContact OE1-NZ 3.23Å; E34-K107 PolarHBondContact OE1-NZ 3.1Å; E34-K107 IonicContact OE2-NZ 2.83Å; W91-K107 HydrophobicContact CD2-CB 3.96Å; W91-K107 HydrophobicContact CD2-CD 4.12Å; W91-K107 HydrophobicContact CE3-CB 3.57Å; W91-K107 HydrophobicContact CH2-CB 4.01Å; W91-K107 HydrophobicContact CH2-CD 4.31Å; W91-K107 HydrophobicContact CZ2-CB 4.38Å; W91-K107 HydrophobicContact CZ2-CD 3.91Å; W91-K107 HydrophobicContact CZ3-CB 3.58Å; K107-V118 WeakPolarHBondContact O-CA 3.43Å; K107-V118 WeakPolarHBondContact O-CG1 3.49Å; K107-Y119 HydrophobicContact CB-CD2 4.24Å; K107-Y119 HydrophobicContact CD-CD2 4.46Å; K107-Y119 HydrophobicContact CG-CD2 4.42Å; K107-Y119 PolarHBondContact N-O 3.41Å; K107-Y119 PolarHBondContact O-N 2.88Å
108G97.3Very high95.9Very high17 Ų1757.6 Ų57.618%0.17529%0.286CS..EExtended strand (participates in β ladder)trans86.615.4-176.900000115.4A115G108-A115 WeakPolarHBondContact O-CB 3.33Å; G108-A115 PolarHBondContact O-N 2.7Å
109Y95.7Very high96.2Very high25 Ų2552.8 Ų52.810%0.09827%0.265CS..EExtended strand (participates in β ladder)trans-94.4120.3169-74.2-112.6000108.7L4 F16 N106 F114 V118 H120 R163L4-Y109 WeakPolarHBondContact CD1-O 3.42Å; F16-Y109 HydrophobicContact CB-CE1 4.38Å; F16-Y109 AromaticContact CD1-CD1 3.74Å; F16-Y109 HydrophobicContact CD1-CD1 3.74Å; F16-Y109 HydrophobicContact CD1-CE1 4.09Å; F16-Y109 AromaticContact CD2-CD1 3.83Å; F16-Y109 HydrophobicContact CD2-CD1 3.83Å; F16-Y109 HydrophobicContact CD2-CE1 4.17Å; F16-Y109 AromaticContact CE1-CD1 3.62Å; F16-Y109 HydrophobicContact CE1-CD1 3.62Å; F16-Y109 HydrophobicContact CE1-CE1 4.41Å; F16-Y109 HydrophobicContact CE1-CG 4.22Å; F16-Y109 AromaticContact CE2-CD1 3.74Å; F16-Y109 HydrophobicContact CE2-CD1 3.74Å; F16-Y109 AromaticContact CG-CD1 3.84Å; F16-Y109 HydrophobicContact CG-CD1 3.84Å; F16-Y109 AromaticContact CG-CE1 3.96Å; F16-Y109 HydrophobicContact CG-CE1 3.96Å; F16-Y109 AromaticContact CZ-CD1 3.63Å; F16-Y109 HydrophobicContact CZ-CD1 3.63Å; F16-Y109 HydrophobicContact CZ-CG 4.24Å; N106-Y109 HydrophobicContact CB-CD2 3.68Å; N106-Y109 HydrophobicContact CB-CE2 3.74Å; N106-Y109 HydrophobicContact CB-CG 4.42Å; Y109-F114 AromaticContact CD1-CE1 3.78Å; Y109-F114 HydrophobicContact CD1-CE1 3.78Å; Y109-F114 HydrophobicContact CD1-CZ 4.43Å; Y109-F114 HydrophobicContact CD2-CE1 4.19Å; Y109-F114 AromaticContact CE1-CE1 3.43Å; Y109-F114 HydrophobicContact CE1-CE1 3.43Å; Y109-F114 VanDerWaalsContact CE1-CE1 3.43Å; Y109-F114 AromaticContact CE1-CZ 3.84Å; Y109-F114 HydrophobicContact CE1-CZ 3.84Å; Y109-F114 AromaticContact CE2-CE1 3.86Å; Y109-F114 HydrophobicContact CE2-CE1 3.86Å; Y109-F114 HydrophobicContact CG-CE1 4.15Å; Y109-F114 AromaticContact CZ-CE1 3.46Å; Y109-F114 VanDerWaalsContact CZ-CE1 3.46Å; Y109-V118 HydrophobicContact CD2-CG1 3.88Å; Y109-V118 HydrophobicContact CE2-CG1 3.53Å; Y109-H120 AromaticContact CE2-NE2 3.68Å; Y109-H120 AromaticContact CZ-NE2 3.54Å; Y109-H120 PolarHBondContact OH-CE1 2.86Å; Y109-H120 PolarHBondContact OH-NE2 3.24Å; Y109-R163 PolarHBondContact OH-NH1 2.9Å; Y109-R163 VanDerWaalsContact OH-NH1 3.11Å
110T94.2Very high96.4Very high45 Ų4545 Ų4528%0.27623%0.229SC..EExtended strand (participates in β ladder)trans-124.2167.2-177.989.50000111.8F16 E112 G113 A115F16-T110 WeakPolarHBondContact CZ-O 3.36Å; T110-E112 PolarHBondContact O-N 2.9Å; T110-E112 PolarHBondContact OG1-N 3.19Å; T110-E112 VanDerWaalsContact OG1-N 3.09Å; T110-E112 PolarHBondContact OG1-OE2 3.37Å; T110-E112 VanDerWaalsContact OG1-OE2 3.07Å; T110-G113 WeakPolarHBondContact CA-O 3.42Å; T110-G113 PolarHBondContact N-O 3.35Å; T110-G113 PolarHBondContact O-N 3.18Å; T110-G113 VanDerWaalsContact O-N 3.09Å; T110-G113 PolarHBondContact OG1-N 3.44Å; T110-G113 PolarHBondContact OG1-O 2.88Å; T110-G113 VanDerWaalsContact OG1-O 3.12Å; T110-A115 HydrophobicContact CG2-CB 4.34Å
111S91.2Very high96.5Very high37 Ų3737.9 Ų37.926%0.25920%0.198SC..THydrogen-bonded Turntrans-60-25.717336.90000113.2M1M1-S111 WeakPolarHBondContact CE-O 3.05Å
112E91.1Very high96.6Very high150 Ų15038.1 Ų38.170%0.70120%0.199SC*.THydrogen-bonded Turntrans-92.22.5177.4-53.280.6-142.400113.4T110T110-E112 PolarHBondContact O-N 2.9Å; T110-E112 PolarHBondContact OG1-N 3.19Å; T110-E112 VanDerWaalsContact OG1-N 3.09Å; T110-E112 PolarHBondContact OG1-OE2 3.37Å; T110-E112 VanDerWaalsContact OG1-OE2 3.07Å
113G93.3Very high96.7Very high7 Ų737 Ų377%0.07219%0.192CC..EExtended strand (participates in β ladder)trans114.4-150.3-178.400000112.6T110T110-G113 WeakPolarHBondContact CA-O 3.42Å; T110-G113 PolarHBondContact N-O 3.35Å; T110-G113 PolarHBondContact O-N 3.18Å; T110-G113 VanDerWaalsContact O-N 3.09Å; T110-G113 PolarHBondContact OG1-N 3.44Å; T110-G113 PolarHBondContact OG1-O 2.88Å; T110-G113 VanDerWaalsContact OG1-O 3.12Å
114F95.6Very high96.7Very high57 Ų5738.8 Ų38.825%0.2520%0.199CC..EExtended strand (participates in β ladder)trans-76.1133-179.7-74.6-61.6000111.8F16 I19 I66 Y109 V118F16-F114 HydrophobicContact CB-CE2 3.93Å; F16-F114 HydrophobicContact CB-CZ 3.67Å; F16-F114 AromaticContact CD1-CD1 4Å; F16-F114 HydrophobicContact CD1-CD1 4Å; F16-F114 HydrophobicContact CD1-CD2 4.05Å; F16-F114 AromaticContact CD1-CE1 3.64Å; F16-F114 HydrophobicContact CD1-CE1 3.64Å; F16-F114 AromaticContact CD1-CE2 3.68Å; F16-F114 HydrophobicContact CD1-CE2 3.68Å; F16-F114 HydrophobicContact CD1-CG 4.19Å; F16-F114 AromaticContact CD1-CZ 3.45Å; F16-F114 HydrophobicContact CD1-CZ 3.45Å; F16-F114 VanDerWaalsContact CD1-CZ 3.45Å; F16-F114 HydrophobicContact CE1-CD1 4.28Å; F16-F114 HydrophobicContact CE1-CE1 4.22Å; F16-F114 HydrophobicContact CE1-CZ 4.44Å; F16-F114 HydrophobicContact CG-CE1 4.36Å; F16-F114 HydrophobicContact CG-CE2 4.28Å; F16-F114 AromaticContact CG-CZ 3.91Å; F16-F114 HydrophobicContact CG-CZ 3.91Å; I19-F114 HydrophobicContact CD1-CD2 4.34Å; I66-F114 HydrophobicContact CD1-CE1 4.45Å; I66-F114 HydrophobicContact CD1-CZ 4.47Å; Y109-F114 AromaticContact CD1-CE1 3.78Å; Y109-F114 HydrophobicContact CD1-CE1 3.78Å; Y109-F114 HydrophobicContact CD1-CZ 4.43Å; Y109-F114 HydrophobicContact CD2-CE1 4.19Å; Y109-F114 AromaticContact CE1-CE1 3.43Å; Y109-F114 HydrophobicContact CE1-CE1 3.43Å; Y109-F114 VanDerWaalsContact CE1-CE1 3.43Å; Y109-F114 AromaticContact CE1-CZ 3.84Å; Y109-F114 HydrophobicContact CE1-CZ 3.84Å; Y109-F114 AromaticContact CE2-CE1 3.86Å; Y109-F114 HydrophobicContact CE2-CE1 3.86Å; Y109-F114 HydrophobicContact CG-CE1 4.15Å; Y109-F114 AromaticContact CZ-CE1 3.46Å; Y109-F114 VanDerWaalsContact CZ-CE1 3.46Å; F114-V118 HydrophobicContact CB-CG2 3.91Å; F114-V118 HydrophobicContact CD1-CB 4.28Å; F114-V118 HydrophobicContact CD1-CG1 3.71Å; F114-V118 HydrophobicContact CD1-CG2 3.59Å; F114-V118 HydrophobicContact CE1-CG1 3.85Å; F114-V118 HydrophobicContact CE1-CG2 4.49Å; F114-V118 HydrophobicContact CG-CG2 4.09Å
115A96.5Very high96.6Very high41 Ų4137.5 Ų37.534%0.33919%0.194SC..EExtended strand (participates in β ladder)trans-63.8170.616200000110.7G108 T110 V118G108-A115 WeakPolarHBondContact O-CB 3.33Å; G108-A115 PolarHBondContact O-N 2.7Å; T110-A115 HydrophobicContact CG2-CB 4.34Å; A115-V118 VanDerWaalsContact O-CG2 3.31Å; A115-V118 WeakPolarHBondContact O-CG2 3.45Å
116E95.5Very high96.5Very high160 Ų16039.4 Ų39.475%0.74820%0.203SC*.EExtended strand (participates in β ladder)trans-59.1-49.1175.8-178.4-178.1-170.400111.7W30W30-E116 WeakPolarHBondContact CH2-O 3.12Å; W30-E116 HydrophobicContact CZ2-CG 4.41Å; W30-E116 WeakPolarHBondContact CZ3-O 3.28Å
117K97.7Very high96.5Very high67 Ų6739 Ų3929%0.29120%0.204SC..EExtended strand (participates in β ladder)trans-103.3122.1176.6-55.8-175.6-174.5173.90109.4W30 E33 Y119W30-K117 HydrophobicContact CD2-CB 4.44Å; W30-K117 HydrophobicContact CD2-CD 4.26Å; W30-K117 HydrophobicContact CD2-CG 3.84Å; W30-K117 HydrophobicContact CE3-CB 4.29Å; W30-K117 HydrophobicContact CE3-CG 4.13Å; W30-K117 HydrophobicContact CG-CD 4.09Å; W30-K117 HydrophobicContact CG-CG 4.2Å; W30-K117 HydrophobicContact CH2-CG 4.5Å; W30-K117 HydrophobicContact CZ2-CG 4.25Å; W30-K117 HydrophobicContact CZ3-CG 4.44Å; E33-K117 IonicContact OE1-NZ 3.44Å; E33-K117 IonicContact OE2-NZ 3.88Å; E33-K117 PolarHBondContact OE2-NZ 3.01Å; K117-Y119 HydrophobicContact CB-CE2 3.71Å; K117-Y119 WeakPolarHBondContact CD-OH 3.34Å
118V98.3Very high96.4Very high3 Ų338.9 Ų38.92%0.01821%0.206CC..EExtended strand (participates in β ladder)trans-125.6135.2-178.6-170.20000108.7I66 V67 K107 Y109 F114 A115I66-V118 WeakPolarHBondContact CA-O 3.44Å; I66-V118 HydrophobicContact CD1-CG1 4.42Å; I66-V118 HydrophobicContact CG1-CB 4.21Å; I66-V118 HydrophobicContact CG1-CG1 3.93Å; I66-V118 HydrophobicContact CG2-CG1 4.15Å; V67-V118 PolarHBondContact N-O 3.28Å; K107-V118 WeakPolarHBondContact O-CA 3.43Å; K107-V118 WeakPolarHBondContact O-CG1 3.49Å; Y109-V118 HydrophobicContact CD2-CG1 3.88Å; Y109-V118 HydrophobicContact CE2-CG1 3.53Å; F114-V118 HydrophobicContact CB-CG2 3.91Å; F114-V118 HydrophobicContact CD1-CB 4.28Å; F114-V118 HydrophobicContact CD1-CG1 3.71Å; F114-V118 HydrophobicContact CD1-CG2 3.59Å; F114-V118 HydrophobicContact CE1-CG1 3.85Å; F114-V118 HydrophobicContact CE1-CG2 4.49Å; F114-V118 HydrophobicContact CG-CG2 4.09Å; A115-V118 VanDerWaalsContact O-CG2 3.31Å; A115-V118 WeakPolarHBondContact O-CG2 3.45Å
119Y98.8Very high96.4Very high6 Ų641.3 Ų41.32%0.02421%0.209CC..EExtended strand (participates in β ladder)trans-131.7141.9-175.5-53.4-87.7000111.6W30 E34 V67 I69 W91 N106 K107 K117W30-Y119 HydrophobicContact CB-CE1 4.25Å; W30-Y119 PolarHBondContact O-OH 3.47Å; E34-Y119 HydrophobicContact CB-CD1 4.1Å; E34-Y119 HydrophobicContact CB-CE1 3.63Å; E34-Y119 HydrophobicContact CG-CD1 3.94Å; E34-Y119 HydrophobicContact CG-CD2 4.34Å; E34-Y119 HydrophobicContact CG-CE1 3.89Å; E34-Y119 HydrophobicContact CG-CE2 4.25Å; E34-Y119 HydrophobicContact CG-CG 4.18Å; E34-Y119 WeakPolarHBondContact OE2-CE2 3.48Å; V67-Y119 HydrophobicContact CB-CD1 3.63Å; V67-Y119 HydrophobicContact CB-CE1 3.96Å; V67-Y119 HydrophobicContact CG1-CD1 3.85Å; V67-Y119 HydrophobicContact CG1-CE1 4.11Å; V67-Y119 HydrophobicContact CG2-CE1 4.41Å; V67-Y119 VanDerWaalsContact O-CA 3.29Å; V67-Y119 WeakPolarHBondContact O-CA 3.37Å; I69-Y119 HydrophobicContact CD1-CD1 4.03Å; W91-Y119 HydrophobicContact CH2-CG 4.22Å; N106-Y119 WeakPolarHBondContact CA-O 3.48Å; K107-Y119 HydrophobicContact CB-CD2 4.24Å; K107-Y119 HydrophobicContact CD-CD2 4.46Å; K107-Y119 HydrophobicContact CG-CD2 4.42Å; K107-Y119 PolarHBondContact N-O 3.41Å; K107-Y119 PolarHBondContact O-N 2.88Å; K117-Y119 HydrophobicContact CB-CE2 3.71Å; K117-Y119 WeakPolarHBondContact CD-OH 3.34Å
120H98.7Very high96.4Very high24 Ų2442.9 Ų42.911%0.11122%0.22CC..EExtended strand (participates in β ladder)trans-108.1127.1160.3-71.9178.9000107.5I66 V67 D68 I69 L105 N106 Y109I66-H120 HydrophobicContact CG2-CB 4.18Å; V67-H120 PolarHBondContact O-N 3Å; D68-H120 CarbonylContact C-O 3.57Å; D68-H120 WeakPolarHBondContact CA-O 3.47Å; D68-H120 IonicContact OD1-CG 3.58Å; D68-H120 IonicContact OD1-ND1 3.49Å; I69-H120 PolarHBondContact N-O 2.73Å; L105-H120 WeakPolarHBondContact O-CA 3.39Å; N106-H120 PolarHBondContact OD1-CD2 3.03Å; N106-H120 PolarHBondContact OD1-NE2 3.31Å; Y109-H120 AromaticContact CE2-NE2 3.68Å; Y109-H120 AromaticContact CZ-NE2 3.54Å; Y109-H120 PolarHBondContact OH-CE1 2.86Å; Y109-H120 PolarHBondContact OH-NE2 3.24Å
121L98.9Very high96.6Very high0 Ų043.4 Ų43.40%022%0.219CC..EExtended strand (participates in β ladder)trans-114.6119176.1179.366.7000108.8L38 I69 L71 L86 W91 L105 V123L38-L121 HydrophobicContact CD1-CD1 3.85Å; L38-L121 HydrophobicContact CD2-CD2 3.92Å; I69-L121 HydrophobicContact CB-CD1 3.86Å; I69-L121 HydrophobicContact CG2-CD1 3.77Å; L71-L121 HydrophobicContact CB-CD1 3.8Å; L71-L121 HydrophobicContact CD2-CD1 4.49Å; L86-L121 HydrophobicContact CD1-CD2 3.96Å; L86-L121 HydrophobicContact CD2-CD2 3.46Å; L86-L121 VanDerWaalsContact CD2-CD2 3.46Å; L86-L121 HydrophobicContact CG-CD2 4.36Å; W91-L121 HydrophobicContact CD2-CB 4.44Å; W91-L121 HydrophobicContact CD2-CD2 4.04Å; W91-L121 HydrophobicContact CE3-CB 3.74Å; W91-L121 HydrophobicContact CE3-CD2 4.18Å; W91-L121 HydrophobicContact CH2-CB 3.62Å; W91-L121 HydrophobicContact CH2-CD2 4.21Å; W91-L121 HydrophobicContact CH2-CG 4.41Å; W91-L121 HydrophobicContact CZ2-CB 4.31Å; W91-L121 HydrophobicContact CZ2-CD2 4.05Å; W91-L121 HydrophobicContact CZ3-CB 3.3Å; W91-L121 HydrophobicContact CZ3-CD2 4.28Å; W91-L121 HydrophobicContact CZ3-CG 4.39Å; L105-L121 HydrophobicContact CB-CB 4.43Å; L105-L121 HydrophobicContact CD1-CD2 4.36Å; L105-L121 PolarHBondContact N-O 3.32Å; L105-L121 PolarHBondContact O-N 3.03Å; L121-V123 HydrophobicContact CD2-CG2 3.99Å; L121-V123 HydrophobicContact CG-CG2 3.87Å
122H98.7Very high96.9Very high34 Ų3441.7 Ų41.716%0.15721%0.207CC..EExtended strand (participates in β ladder)trans-101.8116.5172.2-53.1-72.5000107.3D68 I69 L70 L71 D104D68-H122 IonicContact OD1-NE2 3.69Å; I69-H122 PolarHBondContact O-N 3.03Å; L70-H122 WeakPolarHBondContact CA-O 3.34Å; L70-H122 HydrophobicContact CD1-CB 3.95Å; L70-H122 WeakPolarHBondContact CD1-O 3.3Å; L71-H122 PolarHBondContact N-O 2.91Å; D104-H122 IonicContact OD1-CE1 3.05Å; D104-H122 IonicContact OD1-CG 2.72Å; D104-H122 IonicContact OD1-ND1 3.18Å; D104-H122 PolarHBondContact OD1-ND1 2.96Å
123V98.7Very high97.3Very high0 Ų034.6 Ų34.60%017%0.173CC..EExtended strand (participates in β ladder)trans-107.4127.4176.4-169.60000108.3L71 F73 Y77 L86 T102 L103 L105 L121L71-V123 HydrophobicContact CB-CG2 4.46Å; L71-V123 HydrophobicContact CD2-CG1 4.42Å; L71-V123 HydrophobicContact CD2-CG2 4.24Å; L71-V123 HydrophobicContact CG-CG1 4.38Å; L71-V123 VanDerWaalsContact O-CA 3.3Å; L71-V123 WeakPolarHBondContact O-CA 3.42Å; F73-V123 HydrophobicContact CD2-CG1 3.57Å; F73-V123 HydrophobicContact CE2-CG1 3.49Å; F73-V123 VanDerWaalsContact CE2-CG1 3.49Å; Y77-V123 HydrophobicContact CE2-CG1 4.23Å; L86-V123 HydrophobicContact CD1-CG2 3.78Å; T102-V123 CarbonylContact C-O 3.48Å; T102-V123 VanDerWaalsContact CA-O 3.27Å; T102-V123 WeakPolarHBondContact CA-O 3.44Å; L103-V123 HydrophobicContact CB-CB 3.94Å; L103-V123 HydrophobicContact CB-CG2 4.19Å; L103-V123 HydrophobicContact CD1-CB 4.26Å; L103-V123 HydrophobicContact CD1-CG1 4.44Å; L103-V123 HydrophobicContact CD1-CG2 4.42Å; L103-V123 HydrophobicContact CG-CB 4.36Å; L103-V123 PolarHBondContact N-O 3.45Å; L103-V123 PolarHBondContact O-N 3.37Å; L105-V123 HydrophobicContact CD1-CG2 3.82Å; L121-V123 HydrophobicContact CD2-CG2 3.99Å; L121-V123 HydrophobicContact CG-CG2 3.87Å
124R98.1Very high97.5Very high37 Ų3735.1 Ų35.114%0.1417%0.174CC..EExtended strand (participates in β ladder)trans-145.1163.8-178.6-53.3-172.5-175.5155.66111.2L70 L71 E72 F73 Q101 T102 W129 E131L70-R124 HydrophobicContact CD1-CB 4.47Å; L70-R124 HydrophobicContact CD1-CG 4.08Å; L71-R124 PolarHBondContact O-N 3.06Å; E72-R124 VanDerWaalsContact CA-O 3.29Å; E72-R124 WeakPolarHBondContact CA-O 3.22Å; F73-R124 PolarHBondContact N-O 3.38Å; Q101-R124 WeakPolarHBondContact O-CA 3.45Å; T102-R124 HydrophobicContact CG2-CB 4.4Å; T102-R124 HydrophobicContact CG2-CG 3.92Å; R124-W129 HydrophobicContact CB-CH2 4.31Å; R124-W129 HydrophobicContact CB-CZ2 3.7Å; R124-W129 HydrophobicContact CG-CZ2 4.28Å; R124-W129 VanDerWaalsContact NH1-CE3 3.27Å; R124-E131 IonicContact CZ-OE1 3.69Å; R124-E131 VanDerWaalsContact CZ-OE1 3.25Å; R124-E131 IonicContact NH1-OE1 2.69Å; R124-E131 PolarHBondContact NH1-OE1 2.6Å; R124-E131 IonicContact NH1-OE2 2.69Å; R124-E131 IonicContact NH2-OE1 3.6Å; R124-E131 PolarHBondContact NH2-OE1 3.04Å
125A97.2Very high97.6Very high12 Ų1233.3 Ų33.310%0.09917%0.165CC..EExtended strand (participates in β ladder)trans-61.4154.8159.100000110.4F73 G127 W129F73-A125 CarbonylContact O-C 3.41Å; F73-A125 WeakPolarHBondContact O-CA 3.33Å; A125-G127 PolarHBondContact O-N 3.22Å; A125-W129 VanDerWaalsContact O-CZ2 3.27Å; A125-W129 WeakPolarHBondContact O-CZ2 3.29Å; A125-W129 PolarHBondContact O-NE1 3.29Å
126I96.9Very high97.7Very high41 Ų4132.4 Ų32.421%0.2116%0.155CC..SBendtrans-61.8133.5179.4-170.9168.1000109.9Q48 R49 E72 F73 P191Q48-I126 HydrophobicContact CB-CB 4.18Å; Q48-I126 HydrophobicContact CB-CD1 3.63Å; Q48-I126 HydrophobicContact CB-CG1 4.25Å; Q48-I126 HydrophobicContact CG-CB 4.13Å; Q48-I126 HydrophobicContact CG-CD1 3.98Å; Q48-I126 HydrophobicContact CG-CG2 4.41Å; R49-I126 HydrophobicContact CG-CD1 4.48Å; E72-I126 HydrophobicContact CB-CB 4.44Å; E72-I126 WeakPolarHBondContact OE1-CA 3.49Å; F73-I126 WeakPolarHBondContact O-CB 3.43Å; F73-I126 PolarHBondContact O-N 3.37Å; I126-P191 HydrophobicContact CD1-CB 4.06Å; I126-P191 HydrophobicContact CD1-CG 4.18Å; I126-P191 HydrophobicContact CG1-CB 4.06Å; I126-P191 HydrophobicContact CG1-CG 3.66Å
127G95.8Very high97.8Very high12 Ų1225.6 Ų25.612%0.12412%0.122CC..  trans-157.4-179.8-172.100000113.9E72 A125E72-G127 PolarHBondContact OE1-N 3.45Å; A125-G127 PolarHBondContact O-N 3.22Å
128D96.4Very high97.9Very high42 Ų4222.5 Ų22.523%0.22511%0.109CC..  trans-101.783.9175.1-16827.1000108.5Y133 R182 L190D128-Y133 WeakPolarHBondContact OD1-CE2 3.37Å; D128-Y133 VanDerWaalsContact OD1-CZ 3.31Å; D128-Y133 PolarHBondContact OD1-OH 3.48Å; D128-R182 VanDerWaalsContact CG-NH1 3.31Å; D128-R182 PolarHBondContact O-NH2 3.37Å; D128-R182 IonicContact OD1-NH1 3.64Å; D128-R182 IonicContact OD2-CZ 2.88Å; D128-R182 IonicContact OD2-NH1 3.61Å; D128-R182 PolarHBondContact OD2-NH1 3.47Å; D128-L190 HydrophobicContact CB-CD1 3.81Å; D128-L190 PolarHBondContact OD1-N 2.73Å
129W96.9Very high97.9Very high67 Ų6728 Ų2825%0.25413%0.13SC..  trans-91136.9-167-59.6112.6000113.5L70 E72 R124 A125 E131 F132 Y133L70-W129 HydrophobicContact CD2-CB 4.09Å; L70-W129 HydrophobicContact CD2-CG 3.98Å; E72-W129 PolarHBondContact OE1-NE1 3.1Å; R124-W129 HydrophobicContact CB-CH2 4.31Å; R124-W129 HydrophobicContact CB-CZ2 3.7Å; R124-W129 HydrophobicContact CG-CZ2 4.28Å; R124-W129 VanDerWaalsContact NH1-CE3 3.27Å; A125-W129 VanDerWaalsContact O-CZ2 3.27Å; A125-W129 WeakPolarHBondContact O-CZ2 3.29Å; A125-W129 PolarHBondContact O-NE1 3.29Å; W129-E131 WeakPolarHBondContact CB-OE2 3.45Å; W129-E131 PolarHBondContact O-N 2.96Å; W129-F132 HydrophobicContact CB-CD2 4.01Å; W129-F132 HydrophobicContact CB-CE2 4Å; W129-F132 AromaticContact CD1-CE2 3.91Å; W129-F132 HydrophobicContact CG-CE2 4.39Å; W129-F132 PolarHBondContact O-N 2.88Å; W129-Y133 VanDerWaalsContact O-CD2 3.28Å; W129-Y133 WeakPolarHBondContact O-CD2 3.25Å
130D97.2Very high97.8Very high59 Ų5933.3 Ų33.332%0.31615%0.153SC..Hα-helixtrans-62.5-29.2-179.1-87.76000112.9F132 Y133 F134 R182D130-F132 PolarHBondContact O-N 3.44Å; D130-Y133 PolarHBondContact O-N 2.9Å; D130-Y133 VanDerWaalsContact O-N 3.13Å; D130-F134 WeakPolarHBondContact O-CB 3.46Å; D130-F134 PolarHBondContact O-N 3.28Å; D130-R182 IonicContact OD1-CZ 2.66Å; D130-R182 IonicContact OD1-NE 3.42Å; D130-R182 PolarHBondContact OD1-NE 2.81Å; D130-R182 IonicContact OD1-NH2 2.85Å; D130-R182 PolarHBondContact OD1-NH2 2.98Å
131E97.8Very high97.8Very high55 Ų5535.8 Ų35.826%0.25716%0.162SC..Hα-helixtrans-58.6-35.9-178.6-65.991.5148.300112.1I53 R124 W129 R135I53-E131 HydrophobicContact CB-CB 4.2Å; I53-E131 HydrophobicContact CD1-CB 3.88Å; I53-E131 HydrophobicContact CD1-CG 3.88Å; I53-E131 HydrophobicContact CG2-CB 4.14Å; R124-E131 IonicContact CZ-OE1 3.69Å; R124-E131 VanDerWaalsContact CZ-OE1 3.25Å; R124-E131 IonicContact NH1-OE1 2.69Å; R124-E131 PolarHBondContact NH1-OE1 2.6Å; R124-E131 IonicContact NH1-OE2 2.69Å; R124-E131 IonicContact NH2-OE1 3.6Å; R124-E131 PolarHBondContact NH2-OE1 3.04Å; W129-E131 WeakPolarHBondContact CB-OE2 3.45Å; W129-E131 PolarHBondContact O-N 2.96Å; E131-R135 VanDerWaalsContact O-CB 3.25Å; E131-R135 WeakPolarHBondContact O-CB 3.48Å; E131-R135 PolarHBondContact O-N 3.44Å
132F97.4Very high97.7Very high1 Ų140.1 Ų40.10%0.00419%0.189CC..Hα-helixtrans-67.8-47.5175.2-59.6-45000112.1N51 I53 L70 E72 W129 D130 R135 D136 Y189N51-F132 HydrophobicContact CB-CD1 4.37Å; N51-F132 HydrophobicContact CB-CE1 3.44Å; N51-F132 VanDerWaalsContact CB-CE1 3.44Å; N51-F132 HydrophobicContact CB-CZ 4.16Å; I53-F132 HydrophobicContact CG2-CD1 3.94Å; I53-F132 HydrophobicContact CG2-CE1 3.84Å; L70-F132 HydrophobicContact CD2-CE1 3.9Å; L70-F132 HydrophobicContact CD2-CE2 4.06Å; L70-F132 HydrophobicContact CD2-CZ 3.48Å; L70-F132 VanDerWaalsContact CD2-CZ 3.48Å; L70-F132 HydrophobicContact CG-CZ 4.3Å; E72-F132 VanDerWaalsContact OE2-CZ 3.31Å; E72-F132 WeakPolarHBondContact OE2-CZ 3.22Å; W129-F132 HydrophobicContact CB-CD2 4.01Å; W129-F132 HydrophobicContact CB-CE2 4Å; W129-F132 AromaticContact CD1-CE2 3.91Å; W129-F132 HydrophobicContact CG-CE2 4.39Å; W129-F132 PolarHBondContact O-N 2.88Å; D130-F132 PolarHBondContact O-N 3.44Å; F132-R135 PolarHBondContact O-N 3.36Å; F132-D136 PolarHBondContact O-N 3.47Å; F132-Y189 HydrophobicContact CB-CD1 3.89Å; F132-Y189 HydrophobicContact CB-CD2 3.36Å; F132-Y189 HydrophobicContact CB-CE1 4Å; F132-Y189 HydrophobicContact CB-CE2 3.52Å; F132-Y189 HydrophobicContact CB-CG 3.59Å; F132-Y189 HydrophobicContact CD2-CD1 4.17Å; F132-Y189 HydrophobicContact CD2-CD2 4.29Å; F132-Y189 AromaticContact CD2-CG 3.79Å; F132-Y189 HydrophobicContact CD2-CG 3.79Å; F132-Y189 HydrophobicContact CG-CD1 4.1Å; F132-Y189 HydrophobicContact CG-CD2 4.22Å; F132-Y189 AromaticContact CG-CG 3.96Å; F132-Y189 HydrophobicContact CG-CG 3.96Å
133Y98.3Very high97.7Very high1 Ų144.1 Ų44.10%0.00421%0.208CC..Hα-helixtrans-63-47.6-179.8-69.6-79.8000110.7D128 W129 D130 D136 Y137 A181 R182 F185 G186 R188 Y189D128-Y133 WeakPolarHBondContact OD1-CE2 3.37Å; D128-Y133 VanDerWaalsContact OD1-CZ 3.31Å; D128-Y133 PolarHBondContact OD1-OH 3.48Å; W129-Y133 VanDerWaalsContact O-CD2 3.28Å; W129-Y133 WeakPolarHBondContact O-CD2 3.25Å; D130-Y133 PolarHBondContact O-N 2.9Å; D130-Y133 VanDerWaalsContact O-N 3.13Å; Y133-D136 PolarHBondContact O-N 3.1Å; Y133-Y137 WeakPolarHBondContact O-CB 3.17Å; Y133-Y137 PolarHBondContact O-N 3.38Å; Y133-A181 HydrophobicContact CD1-CB 4.48Å; Y133-A181 WeakPolarHBondContact O-CB 3.41Å; Y133-R182 HydrophobicContact CD1-CB 4.36Å; Y133-R182 HydrophobicContact CD1-CG 3.67Å; Y133-R182 HydrophobicContact CD2-CG 3.75Å; Y133-R182 HydrophobicContact CE1-CB 4.46Å; Y133-R182 HydrophobicContact CE1-CG 3.85Å; Y133-R182 HydrophobicContact CE2-CG 3.91Å; Y133-R182 VanDerWaalsContact CE2-CZ 3.43Å; Y133-R182 HydrophobicContact CG-CG 3.64Å; Y133-F185 HydrophobicContact CD1-CB 4.39Å; Y133-F185 HydrophobicContact CD1-CD2 4.17Å; Y133-F185 HydrophobicContact CE1-CB 4.37Å; Y133-G186 VanDerWaalsContact CE1-O 3.28Å; Y133-G186 WeakPolarHBondContact CE1-O 3.48Å; Y133-G186 PolarHBondContact OH-O 3.01Å; Y133-R188 HydrophobicContact CE1-CB 4.27Å; Y133-R188 PolarHBondContact OH-N 2.79Å; Y133-Y189 AromaticContact CD1-CD2 3.93Å; Y133-Y189 HydrophobicContact CD1-CD2 3.93Å; Y133-Y189 AromaticContact CD1-CE2 3.84Å; Y133-Y189 HydrophobicContact CD1-CE2 3.84Å; Y133-Y189 AromaticContact CD2-CD2 3.84Å; Y133-Y189 HydrophobicContact CD2-CD2 3.84Å; Y133-Y189 HydrophobicContact CD2-CE2 4.35Å; Y133-Y189 AromaticContact CE1-CD2 3.67Å; Y133-Y189 HydrophobicContact CE1-CD2 3.67Å; Y133-Y189 AromaticContact CE1-CE2 3.91Å; Y133-Y189 HydrophobicContact CE1-CE2 3.91Å; Y133-Y189 AromaticContact CE2-CD2 3.59Å; Y133-Y189 HydrophobicContact CE2-CD2 3.59Å; Y133-Y189 HydrophobicContact CE2-CE2 4.43Å; Y133-Y189 HydrophobicContact CE2-CG 4.48Å; Y133-Y189 AromaticContact CG-CD2 3.99Å; Y133-Y189 HydrophobicContact CG-CD2 3.99Å; Y133-Y189 HydrophobicContact CG-CE2 4.05Å; Y133-Y189 AromaticContact CZ-CD2 3.49Å; Y133-Y189 VanDerWaalsContact CZ-CD2 3.49Å; Y133-Y189 PolarHBondContact OH-N 3.22Å
134F98.4Very high97.7Very high18 Ų1844.7 Ų44.78%0.07921%0.212CC..Hα-helixtrans-59.9-48.9178.6-172.9-113.8000111.6D130 D136 Y137 L138 Y148 F173 V174D130-F134 WeakPolarHBondContact O-CB 3.46Å; D130-F134 PolarHBondContact O-N 3.28Å; F134-D136 PolarHBondContact O-N 3.29Å; F134-Y137 PolarHBondContact O-N 3.44Å; F134-L138 HydrophobicContact CD1-CD1 4.14Å; F134-L138 HydrophobicContact CE1-CD1 3.52Å; F134-L138 HydrophobicContact CE1-CG 4.29Å; F134-L138 HydrophobicContact CE2-CD1 4.16Å; F134-L138 HydrophobicContact CE2-CD2 4.21Å; F134-L138 HydrophobicContact CE2-CG 4.22Å; F134-L138 HydrophobicContact CZ-CD1 3.54Å; F134-L138 HydrophobicContact CZ-CD2 4.3Å; F134-L138 HydrophobicContact CZ-CG 4.11Å; F134-L138 WeakPolarHBondContact O-CG 3.4Å; F134-L138 PolarHBondContact O-N 3.11Å; F134-Y148 HydrophobicContact CE1-CD1 4.15Å; F134-Y148 AromaticContact CE1-CE1 3.69Å; F134-Y148 HydrophobicContact CE1-CE1 3.69Å; F134-Y148 AromaticContact CE1-CZ 3.97Å; F134-Y148 AromaticContact CZ-CD1 3.95Å; F134-Y148 HydrophobicContact CZ-CD1 3.95Å; F134-Y148 HydrophobicContact CZ-CD2 4.28Å; F134-Y148 AromaticContact CZ-CE1 3.84Å; F134-Y148 HydrophobicContact CZ-CE1 3.84Å; F134-Y148 HydrophobicContact CZ-CE2 4.21Å; F134-Y148 HydrophobicContact CZ-CG 4.17Å; F134-Y148 AromaticContact CZ-CZ 3.99Å; F134-F173 HydrophobicContact CE2-CD1 4.17Å; F134-F173 HydrophobicContact CE2-CE1 4.18Å; F134-F173 HydrophobicContact CZ-CD1 4.19Å; F134-F173 HydrophobicContact CZ-CE1 4.22Å; F134-V174 HydrophobicContact CD1-CG1 4.21Å; F134-V174 HydrophobicContact CD2-CG1 4.16Å; F134-V174 HydrophobicContact CE1-CG1 4.41Å; F134-V174 HydrophobicContact CE1-CG2 4.08Å; F134-V174 HydrophobicContact CE2-CB 4.37Å; F134-V174 HydrophobicContact CE2-CG1 4.39Å; F134-V174 HydrophobicContact CE2-CG2 4.33Å; F134-V174 HydrophobicContact CG-CG1 4.07Å; F134-V174 HydrophobicContact CZ-CB 4.41Å; F134-V174 HydrophobicContact CZ-CG1 4.5Å; F134-V174 HydrophobicContact CZ-CG2 3.89Å
135R98.3Very high97.7Very high20 Ų2043.5 Ų43.58%0.07521%0.21CC..Hα-helixtrans-53.6-55.8176.6177.7-168.875.3-168.5-0.1111.7H52 S57 I58 E131 F132 Y137 L138 R139H52-R135 WeakPolarHBondContact O-CD 3.12Å; H52-R135 PolarHBondContact O-NH1 3.27Å; S57-R135 WeakPolarHBondContact OG-CD 3.4Å; S57-R135 WeakPolarHBondContact OG-CG 3.49Å; I58-R135 HydrophobicContact CG1-CG 4.22Å; E131-R135 VanDerWaalsContact O-CB 3.25Å; E131-R135 WeakPolarHBondContact O-CB 3.48Å; E131-R135 PolarHBondContact O-N 3.44Å; F132-R135 PolarHBondContact O-N 3.36Å; R135-Y137 VanDerWaalsContact C-N 3.25Å; R135-Y137 PolarHBondContact O-N 2.92Å; R135-L138 PolarHBondContact O-N 3.37Å; R135-R139 WeakPolarHBondContact O-CG 3.28Å; R135-R139 PolarHBondContact O-N 2.9Å
136D98.2Very high97.7Very high21 Ų2149.4 Ų49.411%0.11223%0.229CC..Hα-helixtrans-71.5-25.4-173.7-76.39.2000111.8F132 Y133 F134 R139 K140 F185 R188 Y189F132-D136 PolarHBondContact O-N 3.47Å; Y133-D136 PolarHBondContact O-N 3.1Å; F134-D136 PolarHBondContact O-N 3.29Å; D136-R139 IonicContact OD1-NH1 3.6Å; D136-R139 PolarHBondContact OD1-NH1 3.37Å; D136-K140 WeakPolarHBondContact O-CB 3.41Å; D136-K140 PolarHBondContact O-N 3.41Å; D136-F185 HydrophobicContact CB-CE2 4.11Å; D136-R188 IonicContact OD2-NH1 3.74Å; D136-Y189 VanDerWaalsContact CG-OH 3.24Å; D136-Y189 PolarHBondContact OD2-OH 3.37Å
137Y98.5Very high97.8Very high18 Ų1850.5 Ų50.57%0.07123%0.234CC..Hα-helixtrans-68.4-45.1171.9-161.3-96.7000112.2Y133 F134 R135 R139 K140 Y141 V144 Y177 K180 A181 F185Y133-Y137 WeakPolarHBondContact O-CB 3.17Å; Y133-Y137 PolarHBondContact O-N 3.38Å; F134-Y137 PolarHBondContact O-N 3.44Å; R135-Y137 VanDerWaalsContact C-N 3.25Å; R135-Y137 PolarHBondContact O-N 2.92Å; Y137-R139 VanDerWaalsContact C-N 3.33Å; Y137-R139 PolarHBondContact O-N 3.07Å; Y137-K140 PolarHBondContact O-N 3.07Å; Y137-Y141 AromaticContact CD1-CD2 3.85Å; Y137-Y141 HydrophobicContact CD1-CD2 3.85Å; Y137-Y141 AromaticContact CD2-CD2 3.74Å; Y137-Y141 HydrophobicContact CD2-CD2 3.74Å; Y137-Y141 AromaticContact CD2-CE2 3.71Å; Y137-Y141 HydrophobicContact CD2-CE2 3.71Å; Y137-Y141 AromaticContact CE1-CD2 3.63Å; Y137-Y141 HydrophobicContact CE1-CD2 3.63Å; Y137-Y141 HydrophobicContact CE1-CE2 4.22Å; Y137-Y141 HydrophobicContact CE1-CG 4.3Å; Y137-Y141 AromaticContact CE2-CD2 3.55Å; Y137-Y141 HydrophobicContact CE2-CD2 3.55Å; Y137-Y141 AromaticContact CE2-CE2 3.3Å; Y137-Y141 HydrophobicContact CE2-CE2 3.3Å; Y137-Y141 AromaticContact CG-CD2 3.9Å; Y137-Y141 HydrophobicContact CG-CD2 3.9Å; Y137-Y141 HydrophobicContact CG-CE2 4.35Å; Y137-Y141 AromaticContact CZ-CD2 3.49Å; Y137-Y141 VanDerWaalsContact CZ-CD2 3.49Å; Y137-Y141 AromaticContact CZ-CE2 3.58Å; Y137-Y141 WeakPolarHBondContact O-CB 3.26Å; Y137-Y141 WeakPolarHBondContact O-CD2 3.05Å; Y137-Y141 PolarHBondContact O-N 3.02Å; Y137-V144 HydrophobicContact CD1-CG1 4.4Å; Y137-V144 HydrophobicContact CE1-CG1 4.34Å; Y137-V144 HydrophobicContact CE1-CG2 4.17Å; Y137-Y177 AromaticContact CD1-CD1 3.97Å; Y137-Y177 HydrophobicContact CD1-CD1 3.97Å; Y137-Y177 HydrophobicContact CD1-CG 4.47Å; Y137-Y177 AromaticContact CE1-CD1 3.43Å; Y137-Y177 HydrophobicContact CE1-CD1 3.43Å; Y137-Y177 VanDerWaalsContact CE1-CD1 3.43Å; Y137-Y177 HydrophobicContact CE1-CE1 4.05Å; Y137-Y177 HydrophobicContact CE1-CG 4.34Å; Y137-K180 HydrophobicContact CE2-CB 4.07Å; Y137-A181 VanDerWaalsContact CD2-CA 3.44Å; Y137-A181 HydrophobicContact CD2-CB 3.46Å; Y137-A181 VanDerWaalsContact CD2-CB 3.46Å; Y137-A181 HydrophobicContact CE2-CB 4.35Å; Y137-A181 HydrophobicContact CG-CB 3.74Å; Y137-F185 HydrophobicContact CD2-CE2 4.19Å; Y137-F185 AromaticContact CD2-CZ 3.98Å; Y137-F185 HydrophobicContact CD2-CZ 3.98Å
138L98.5Very high97.9Very high2 Ų250.5 Ų50.51%0.0123%0.23CC..Hα-helixtrans-64.4-38.6176.1-66.1-169.6000112I58 L61 F134 R135 K140 Y141 V144 A145 Y148I58-L138 HydrophobicContact CD1-CB 3.61Å; I58-L138 HydrophobicContact CD1-CD1 3.46Å; I58-L138 VanDerWaalsContact CD1-CD1 3.46Å; I58-L138 HydrophobicContact CD1-CG 4.09Å; I58-L138 HydrophobicContact CG1-CB 4.44Å; I58-L138 HydrophobicContact CG2-CB 4.48Å; L61-L138 HydrophobicContact CD2-CD1 4.35Å; F134-L138 HydrophobicContact CD1-CD1 4.14Å; F134-L138 HydrophobicContact CE1-CD1 3.52Å; F134-L138 HydrophobicContact CE1-CG 4.29Å; F134-L138 HydrophobicContact CE2-CD1 4.16Å; F134-L138 HydrophobicContact CE2-CD2 4.21Å; F134-L138 HydrophobicContact CE2-CG 4.22Å; F134-L138 HydrophobicContact CZ-CD1 3.54Å; F134-L138 HydrophobicContact CZ-CD2 4.3Å; F134-L138 HydrophobicContact CZ-CG 4.11Å; F134-L138 WeakPolarHBondContact O-CG 3.4Å; F134-L138 PolarHBondContact O-N 3.11Å; R135-L138 PolarHBondContact O-N 3.37Å; L138-K140 VanDerWaalsContact C-N 3.31Å; L138-K140 PolarHBondContact O-N 3.02Å; L138-Y141 CarbonylContact O-C 3.54Å; L138-Y141 PolarHBondContact O-N 3.28Å; L138-V144 HydrophobicContact CD2-CB 4.16Å; L138-V144 HydrophobicContact CD2-CG1 3.57Å; L138-A145 HydrophobicContact CB-CB 4.37Å; L138-Y148 HydrophobicContact CD1-CD1 3.61Å; L138-Y148 HydrophobicContact CD1-CE1 4.18Å; L138-Y148 HydrophobicContact CD1-CG 4.37Å
139R97.8Very high97.9Very high119 Ų11950.1 Ų50.145%0.44923%0.227SC..Hα-helixtrans-60.8-39.2173.1-71.9172.9174.7177.3-12.7112.3S57 I58 R135 D136 Y137S57-R139 VanDerWaalsContact O-CZ 3.24Å; S57-R139 PolarHBondContact O-NE 2.69Å; S57-R139 PolarHBondContact O-NH2 2.94Å; I58-R139 HydrophobicContact CG1-CG 4.29Å; I58-R139 HydrophobicContact CG2-CG 4.23Å; R135-R139 WeakPolarHBondContact O-CG 3.28Å; R135-R139 PolarHBondContact O-N 2.9Å; D136-R139 IonicContact OD1-NH1 3.6Å; D136-R139 PolarHBondContact OD1-NH1 3.37Å; Y137-R139 VanDerWaalsContact C-N 3.33Å; Y137-R139 PolarHBondContact O-N 3.07Å
140K98Very high98Very high117 Ų11752 Ų5251%0.50924%0.238SC..Hα-helixtrans-76.2-30.5179.5-173.7172.9-178.7177.80113.2D136 Y137 L138 P142 E184 F185D136-K140 WeakPolarHBondContact O-CB 3.41Å; D136-K140 PolarHBondContact O-N 3.41Å; Y137-K140 PolarHBondContact O-N 3.07Å; L138-K140 VanDerWaalsContact C-N 3.31Å; L138-K140 PolarHBondContact O-N 3.02Å; K140-P142 WeakPolarHBondContact O-CD 3.44Å; K140-E184 VanDerWaalsContact CE-OE1 3.3Å; K140-E184 WeakPolarHBondContact CE-OE1 2.94Å; K140-E184 IonicContact NZ-OE1 2.7Å; K140-E184 PolarHBondContact NZ-OE1 2.84Å; K140-F185 HydrophobicContact CD-CE1 3.8Å; K140-F185 HydrophobicContact CD-CZ 4.06Å
141Y98.4Very high98Very high76 Ų7651.3 Ų51.330%0.29823%0.234SC..  trans-122.684-173-64-71.6000112.2Y137 L138 E143 V144 A145 E184Y137-Y141 AromaticContact CD1-CD2 3.85Å; Y137-Y141 HydrophobicContact CD1-CD2 3.85Å; Y137-Y141 AromaticContact CD2-CD2 3.74Å; Y137-Y141 HydrophobicContact CD2-CD2 3.74Å; Y137-Y141 AromaticContact CD2-CE2 3.71Å; Y137-Y141 HydrophobicContact CD2-CE2 3.71Å; Y137-Y141 AromaticContact CE1-CD2 3.63Å; Y137-Y141 HydrophobicContact CE1-CD2 3.63Å; Y137-Y141 HydrophobicContact CE1-CE2 4.22Å; Y137-Y141 HydrophobicContact CE1-CG 4.3Å; Y137-Y141 AromaticContact CE2-CD2 3.55Å; Y137-Y141 HydrophobicContact CE2-CD2 3.55Å; Y137-Y141 AromaticContact CE2-CE2 3.3Å; Y137-Y141 HydrophobicContact CE2-CE2 3.3Å; Y137-Y141 AromaticContact CG-CD2 3.9Å; Y137-Y141 HydrophobicContact CG-CD2 3.9Å; Y137-Y141 HydrophobicContact CG-CE2 4.35Å; Y137-Y141 AromaticContact CZ-CD2 3.49Å; Y137-Y141 VanDerWaalsContact CZ-CD2 3.49Å; Y137-Y141 AromaticContact CZ-CE2 3.58Å; Y137-Y141 WeakPolarHBondContact O-CB 3.26Å; Y137-Y141 WeakPolarHBondContact O-CD2 3.05Å; Y137-Y141 PolarHBondContact O-N 3.02Å; L138-Y141 CarbonylContact O-C 3.54Å; L138-Y141 PolarHBondContact O-N 3.28Å; Y141-E143 PolarHBondContact O-N 2.99Å; Y141-E143 VanDerWaalsContact O-N 3.14Å; Y141-V144 WeakPolarHBondContact O-CB 3.43Å; Y141-V144 PolarHBondContact O-N 3.41Å; Y141-A145 PolarHBondContact O-N 3.37Å; Y141-A145 VanDerWaalsContact O-N 3.09Å; Y141-E184 VanDerWaalsContact CE2-OE2 3.3Å; Y141-E184 WeakPolarHBondContact CE2-OE2 3.21Å; Y141-E184 PolarHBondContact OH-OE1 3.41Å; Y141-E184 PolarHBondContact OH-OE2 3.23Å
142P97.1Very high98Very high90 Ų9048.8 Ų48.858%0.58422%0.223SC*.Hα-helixtrans-56.5-31.9-178.5-27.835.1000114.7K140 V144 A145 R146K140-P142 WeakPolarHBondContact O-CD 3.44Å; P142-V144 VanDerWaalsContact C-N 3.33Å; P142-V144 PolarHBondContact O-N 2.83Å; P142-A145 WeakPolarHBondContact O-CB 3.31Å; P142-A145 PolarHBondContact O-N 2.93Å; P142-R146 PolarHBondContact O-N 2.97Å
143E98Very high98Very high118 Ų11852.6 Ų52.655%0.55124%0.243SC*.Hα-helixtrans-62.9-40.2174.8173.154.4-152.200111.9Y141 A145 R146 Q147Y141-E143 PolarHBondContact O-N 2.99Å; Y141-E143 VanDerWaalsContact O-N 3.14Å; E143-A145 VanDerWaalsContact C-N 3.35Å; E143-R146 PolarHBondContact O-N 3.22Å; E143-Q147 WeakPolarHBondContact O-CG 3.37Å; E143-Q147 PolarHBondContact O-N 2.8Å; E143-Q147 VanDerWaalsContact O-N 3.07Å; E143-Q147 PolarHBondContact OE1-NE2 2.86Å
144V98.4Very high98Very high13 Ų1355.7 Ų55.78%0.07926%0.262CS..Hα-helixtrans-71.4-36176.8-1790000110.6Y137 L138 Y141 P142 Q147 Y148 F173 Y177Y137-V144 HydrophobicContact CD1-CG1 4.4Å; Y137-V144 HydrophobicContact CE1-CG1 4.34Å; Y137-V144 HydrophobicContact CE1-CG2 4.17Å; L138-V144 HydrophobicContact CD2-CB 4.16Å; L138-V144 HydrophobicContact CD2-CG1 3.57Å; Y141-V144 WeakPolarHBondContact O-CB 3.43Å; Y141-V144 PolarHBondContact O-N 3.41Å; P142-V144 VanDerWaalsContact C-N 3.33Å; P142-V144 PolarHBondContact O-N 2.83Å; V144-Q147 PolarHBondContact O-N 3.44Å; V144-Y148 PolarHBondContact O-N 3.47Å; V144-F173 HydrophobicContact CG1-CE1 4.42Å; V144-F173 HydrophobicContact CG1-CZ 4.16Å; V144-Y177 HydrophobicContact CB-CE1 4.24Å; V144-Y177 HydrophobicContact CG1-CD1 3.55Å; V144-Y177 HydrophobicContact CG1-CD2 3.77Å; V144-Y177 HydrophobicContact CG1-CE1 3.41Å; V144-Y177 VanDerWaalsContact CG1-CE1 3.41Å; V144-Y177 HydrophobicContact CG1-CE2 3.64Å; V144-Y177 HydrophobicContact CG1-CG 3.71Å; V144-Y177 VanDerWaalsContact CG1-CZ 3.44Å; V144-Y177 HydrophobicContact CG2-CD1 4.37Å; V144-Y177 HydrophobicContact CG2-CE1 3.72Å
145A98.2Very high97.9Very high11 Ų1155.4 Ų55.49%0.09126%0.261CS..Hα-helixtrans-56.9-50171.200000110.8L61 L138 Y141 P142 E143 Q147 Y148 E149L61-A145 HydrophobicContact CD1-CB 3.95Å; L138-A145 HydrophobicContact CB-CB 4.37Å; Y141-A145 PolarHBondContact O-N 3.37Å; Y141-A145 VanDerWaalsContact O-N 3.09Å; P142-A145 WeakPolarHBondContact O-CB 3.31Å; P142-A145 PolarHBondContact O-N 2.93Å; E143-A145 VanDerWaalsContact C-N 3.35Å; A145-Q147 PolarHBondContact O-N 2.99Å; A145-Y148 WeakPolarHBondContact O-CA 3.41Å; A145-Y148 VanDerWaalsContact O-CB 3.3Å; A145-Y148 WeakPolarHBondContact O-CB 3.4Å; A145-Y148 PolarHBondContact O-N 3.08Å; A145-E149 WeakPolarHBondContact O-CG 3.49Å; A145-E149 PolarHBondContact O-N 2.95Å
146R97.7Very high97.8Very high137 Ų13756.8 Ų56.852%0.51727%0.267SS..Hα-helixtrans-57.7-44.8175.8-76.2-166.165.6797.6113.4P142 E143 Y148 E149 E150P142-R146 PolarHBondContact O-N 2.97Å; E143-R146 PolarHBondContact O-N 3.22Å; R146-Y148 PolarHBondContact O-N 3.3Å; R146-E149 WeakPolarHBondContact O-CB 3.49Å; R146-E149 PolarHBondContact O-N 3.09Å; R146-E150 PolarHBondContact O-N 2.99Å
147Q98.4Very high97.6Very high64 Ų6463.5 Ų63.530%0.29930%0.298SS..Hα-helixtrans-58.9-36.7175.2-69.6171.112.900111.9E143 V144 A145 L151 F173 Y177E143-Q147 WeakPolarHBondContact O-CG 3.37Å; E143-Q147 PolarHBondContact O-N 2.8Å; E143-Q147 VanDerWaalsContact O-N 3.07Å; E143-Q147 PolarHBondContact OE1-NE2 2.86Å; V144-Q147 PolarHBondContact O-N 3.44Å; A145-Q147 PolarHBondContact O-N 2.99Å; Q147-L151 WeakPolarHBondContact O-CB 3.31Å; Q147-L151 PolarHBondContact O-N 3.13Å; Q147-L151 VanDerWaalsContact O-N 3.1Å; Q147-F173 HydrophobicContact CB-CE2 3.99Å; Q147-F173 HydrophobicContact CB-CZ 4.03Å; Q147-Y177 PolarHBondContact OE1-OH 2.94Å
148Y98.3Very high97.5Very high12 Ų1269.5 Ų69.55%0.04733%0.325CS..Hα-helixtrans-69.5-34.8175.6-170.1-137.6000112.3L61 F134 L138 V144 A145 R146 L151 K152 K170 F173 V174L61-Y148 HydrophobicContact CD2-CD1 4.2Å; F134-Y148 HydrophobicContact CE1-CD1 4.15Å; F134-Y148 AromaticContact CE1-CE1 3.69Å; F134-Y148 HydrophobicContact CE1-CE1 3.69Å; F134-Y148 AromaticContact CE1-CZ 3.97Å; F134-Y148 AromaticContact CZ-CD1 3.95Å; F134-Y148 HydrophobicContact CZ-CD1 3.95Å; F134-Y148 HydrophobicContact CZ-CD2 4.28Å; F134-Y148 AromaticContact CZ-CE1 3.84Å; F134-Y148 HydrophobicContact CZ-CE1 3.84Å; F134-Y148 HydrophobicContact CZ-CE2 4.21Å; F134-Y148 HydrophobicContact CZ-CG 4.17Å; F134-Y148 AromaticContact CZ-CZ 3.99Å; L138-Y148 HydrophobicContact CD1-CD1 3.61Å; L138-Y148 HydrophobicContact CD1-CE1 4.18Å; L138-Y148 HydrophobicContact CD1-CG 4.37Å; V144-Y148 PolarHBondContact O-N 3.47Å; A145-Y148 WeakPolarHBondContact O-CA 3.41Å; A145-Y148 VanDerWaalsContact O-CB 3.3Å; A145-Y148 WeakPolarHBondContact O-CB 3.4Å; A145-Y148 PolarHBondContact O-N 3.08Å; R146-Y148 PolarHBondContact O-N 3.3Å; Y148-L151 HydrophobicContact CD2-CD2 4.31Å; Y148-K152 HydrophobicContact CD1-CD 4.34Å; Y148-K152 HydrophobicContact CD2-CG 4.45Å; Y148-K152 HydrophobicContact CE1-CD 3.99Å; Y148-K152 HydrophobicContact CE2-CD 4.37Å; Y148-K152 HydrophobicContact CE2-CG 4.17Å; Y148-K152 WeakPolarHBondContact O-CB 3.48Å; Y148-K152 WeakPolarHBondContact O-CE 3.08Å; Y148-K152 VanDerWaalsContact O-CG 3.32Å; Y148-K152 WeakPolarHBondContact O-CG 3.32Å; Y148-K152 PolarHBondContact O-N 2.99Å; Y148-K170 HydrophobicContact CE2-CB 4.4Å; Y148-K170 HydrophobicContact CE2-CD 4.13Å; Y148-K170 HydrophobicContact CE2-CG 4.36Å; Y148-F173 VanDerWaalsContact CB-CE1 3.49Å; Y148-F173 AromaticContact CD2-CD1 3.52Å; Y148-F173 HydrophobicContact CD2-CD1 3.52Å; Y148-F173 AromaticContact CD2-CE1 3.59Å; Y148-F173 HydrophobicContact CD2-CE1 3.59Å; Y148-F173 HydrophobicContact CD2-CG 4.24Å; Y148-F173 HydrophobicContact CD2-CZ 4.32Å; Y148-F173 HydrophobicContact CE2-CD1 4.17Å; Y148-F173 HydrophobicContact CG-CD1 4.15Å; Y148-F173 AromaticContact CG-CE1 3.75Å; Y148-F173 HydrophobicContact CG-CE1 3.75Å; Y148-F173 HydrophobicContact CG-CZ 4.38Å; Y148-V174 HydrophobicContact CE2-CG2 4.32Å
149E97.2Very high97.3Very high34 Ų3472.3 Ų72.316%0.15934%0.337CS..Hα-helixtrans-62.8-49.3172.9-58.1-173.6129.200112L61 I62 A145 R146 L151 K152 L153L61-E149 VanDerWaalsContact CA-OE1 3.28Å; L61-E149 WeakPolarHBondContact CA-OE1 3.31Å; L61-E149 HydrophobicContact CD1-CG 3.28Å; L61-E149 HydrophobicContact CG-CG 4.2Å; I62-E149 HydrophobicContact CG2-CB 3.85Å; I62-E149 HydrophobicContact CG2-CG 3.84Å; I62-E149 PolarHBondContact N-OE1 2.87Å; A145-E149 WeakPolarHBondContact O-CG 3.49Å; A145-E149 PolarHBondContact O-N 2.95Å; R146-E149 WeakPolarHBondContact O-CB 3.49Å; R146-E149 PolarHBondContact O-N 3.09Å; E149-L151 VanDerWaalsContact C-N 3.27Å; E149-L151 PolarHBondContact O-N 3.15Å; E149-K152 WeakPolarHBondContact O-CB 3.39Å; E149-K152 PolarHBondContact O-N 3.39Å; E149-L153 WeakPolarHBondContact O-CG 3.49Å; E149-L153 PolarHBondContact O-N 3.17Å
150E97.6Very high97.1Very high105 Ų10570 Ų7049%0.49133%0.331SS..Hα-helixtrans-59.2-40.4179-70.3174.5-175.600111.5R146 T154R146-E150 PolarHBondContact O-N 2.99Å; E150-T154 WeakPolarHBondContact O-CB 3.4Å; E150-T154 PolarHBondContact O-N 2.94Å; E150-T154 PolarHBondContact O-OG1 2.99Å
151L98Very high96.9Very high45 Ų4568 Ų6824%0.23632%0.324CS..Hα-helixtrans-60.7-50.3172.2177.962.4000111.1Q147 Y148 E149 L153 T154 L155 F173Q147-L151 WeakPolarHBondContact O-CB 3.31Å; Q147-L151 PolarHBondContact O-N 3.13Å; Q147-L151 VanDerWaalsContact O-N 3.1Å; Y148-L151 HydrophobicContact CD2-CD2 4.31Å; E149-L151 VanDerWaalsContact C-N 3.27Å; E149-L151 PolarHBondContact O-N 3.15Å; L151-L153 VanDerWaalsContact C-N 3.33Å; L151-L153 PolarHBondContact O-N 2.8Å; L151-T154 PolarHBondContact O-N 2.74Å; L151-L155 HydrophobicContact CD1-CD1 3.78Å; L151-L155 HydrophobicContact CD1-CD2 4.49Å; L151-L155 HydrophobicContact CD1-CG 3.94Å; L151-L155 HydrophobicContact CG-CD1 3.82Å; L151-L155 HydrophobicContact CG-CG 4.32Å; L151-L155 WeakPolarHBondContact O-CB 3.06Å; L151-L155 VanDerWaalsContact O-CG 3.24Å; L151-L155 WeakPolarHBondContact O-CG 3.37Å; L151-L155 PolarHBondContact O-N 3.04Å; L151-F173 HydrophobicContact CD2-CB 3.52Å; L151-F173 HydrophobicContact CD2-CD1 4.48Å; L151-F173 HydrophobicContact CD2-CD2 3.79Å; L151-F173 HydrophobicContact CD2-CG 3.69Å
152K97.9Very high96.7Very high3 Ų366.9 Ų66.91%0.01332%0.323CS..Hα-helixtrans-60.3-41.7-179.3-78.2-176.3-66.3-170.60112.5L20 S55 I62 Y148 E149 L155 K156 Y166 K170L20-K152 HydrophobicContact CD1-CB 3.96Å; L20-K152 WeakPolarHBondContact CD1-O 3.29Å; S55-K152 PolarHBondContact OG-NZ 2.9Å; I62-K152 WeakPolarHBondContact O-CE 3.47Å; I62-K152 PolarHBondContact O-NZ 3.31Å; Y148-K152 HydrophobicContact CD1-CD 4.34Å; Y148-K152 HydrophobicContact CD2-CG 4.45Å; Y148-K152 HydrophobicContact CE1-CD 3.99Å; Y148-K152 HydrophobicContact CE2-CD 4.37Å; Y148-K152 HydrophobicContact CE2-CG 4.17Å; Y148-K152 WeakPolarHBondContact O-CB 3.48Å; Y148-K152 WeakPolarHBondContact O-CE 3.08Å; Y148-K152 VanDerWaalsContact O-CG 3.32Å; Y148-K152 WeakPolarHBondContact O-CG 3.32Å; Y148-K152 PolarHBondContact O-N 2.99Å; E149-K152 WeakPolarHBondContact O-CB 3.39Å; E149-K152 PolarHBondContact O-N 3.39Å; K152-L155 PolarHBondContact O-N 2.6Å; K152-K156 PolarHBondContact O-N 3.11Å; K152-Y166 VanDerWaalsContact CB-OH 3.31Å; K152-Y166 WeakPolarHBondContact CB-OH 3.17Å; K152-Y166 VanDerWaalsContact CG-OH 3.31Å; K152-Y166 WeakPolarHBondContact CG-OH 3.43Å; K152-K170 HydrophobicContact CG-CD 4.18Å
153L97Very high96.4Very high80 Ų8063.8 Ų63.842%0.41930%0.3SS..Hα-helixtrans-62.4-49.8176.9-73.1168.4000110.8L20 I62 E149 L151 L155 K156 E157L20-L153 HydrophobicContact CD1-CD2 4.14Å; I62-L153 HydrophobicContact CD1-CD2 3.81Å; I62-L153 HydrophobicContact CD1-CG 4.48Å; E149-L153 WeakPolarHBondContact O-CG 3.49Å; E149-L153 PolarHBondContact O-N 3.17Å; L151-L153 VanDerWaalsContact C-N 3.33Å; L151-L153 PolarHBondContact O-N 2.8Å; L153-L155 VanDerWaalsContact C-N 3.29Å; L153-L155 PolarHBondContact O-N 2.99Å; L153-K156 WeakPolarHBondContact O-CB 3.42Å; L153-K156 PolarHBondContact O-N 2.76Å; L153-E157 PolarHBondContact O-N 3.47Å
154T97.2Very high96.1Very high67 Ų6762.2 Ų62.241%0.41130%0.295SS..Hα-helixtrans-58.7-40.7176.9-570000112.3E150 L151E150-T154 WeakPolarHBondContact O-CB 3.4Å; E150-T154 PolarHBondContact O-N 2.94Å; E150-T154 PolarHBondContact O-OG1 2.99Å; L151-T154 PolarHBondContact O-N 2.74Å
155L97.5Very high96Very high12 Ų1262.7 Ų62.76%0.06330%0.3CS..Hα-helixtrans-73.9-32180-68.9178.2000112.8L151 K152 L153 E157 K158 F159 Y166 A169 K170L151-L155 HydrophobicContact CD1-CD1 3.78Å; L151-L155 HydrophobicContact CD1-CD2 4.49Å; L151-L155 HydrophobicContact CD1-CG 3.94Å; L151-L155 HydrophobicContact CG-CD1 3.82Å; L151-L155 HydrophobicContact CG-CG 4.32Å; L151-L155 WeakPolarHBondContact O-CB 3.06Å; L151-L155 VanDerWaalsContact O-CG 3.24Å; L151-L155 WeakPolarHBondContact O-CG 3.37Å; L151-L155 PolarHBondContact O-N 3.04Å; K152-L155 PolarHBondContact O-N 2.6Å; L153-L155 VanDerWaalsContact C-N 3.29Å; L153-L155 PolarHBondContact O-N 2.99Å; L155-E157 VanDerWaalsContact C-N 3.29Å; L155-E157 PolarHBondContact O-N 2.86Å; L155-K158 PolarHBondContact O-N 2.89Å; L155-F159 HydrophobicContact CB-CD2 4.44Å; L155-F159 HydrophobicContact CD2-CD2 4.09Å; L155-F159 HydrophobicContact CD2-CE2 3.85Å; L155-F159 PolarHBondContact O-N 3.1Å; L155-Y166 HydrophobicContact CB-CD2 3.71Å; L155-Y166 HydrophobicContact CB-CE2 3.62Å; L155-A169 HydrophobicContact CD1-CB 3.82Å; L155-A169 HydrophobicContact CD2-CB 3.55Å; L155-A169 HydrophobicContact CG-CB 4.31Å; L155-K170 HydrophobicContact CD1-CD 4.42Å; L155-K170 HydrophobicContact CD1-CG 3.43Å; L155-K170 VanDerWaalsContact CD1-CG 3.43Å
156K95.9Very high95.8Very high48 Ų4862.2 Ų62.221%0.20930%0.296CS..Hα-helixtrans-57.9-46.6175.3176.7-168.8178.1-56.20109.7I18 L20 K152 L153 K158 F159 E160 Y166I18-K156 HydrophobicContact CG2-CB 4.15Å; I18-K156 HydrophobicContact CG2-CG 3.98Å; I18-K156 WeakPolarHBondContact O-CE 3.42Å; L20-K156 HydrophobicContact CB-CD 4.44Å; L20-K156 HydrophobicContact CD1-CB 3.96Å; L20-K156 HydrophobicContact CD1-CD 4.26Å; L20-K156 HydrophobicContact CG-CD 4.24Å; K152-K156 PolarHBondContact O-N 3.11Å; L153-K156 WeakPolarHBondContact O-CB 3.42Å; L153-K156 PolarHBondContact O-N 2.76Å; K156-K158 PolarHBondContact O-N 3.5Å; K156-F159 PolarHBondContact O-N 3.48Å; K156-E160 IonicContact NZ-OE1 3.37Å; K156-E160 PolarHBondContact NZ-OE1 3Å; K156-E160 IonicContact NZ-OE2 3.53Å; K156-E160 PolarHBondContact NZ-OE2 2.97Å; K156-E160 WeakPolarHBondContact O-CA 3.48Å; K156-E160 WeakPolarHBondContact O-CB 3.45Å; K156-E160 PolarHBondContact O-N 3.04Å; K156-Y166 HydrophobicContact CB-CE2 4.38Å
157E94.2Very high95.6Very high163 Ų16358.6 Ų58.676%0.76229%0.289SS*.Hα-helixtrans-60-32.2-179.5-65.7-176.2170.600112.8L153 L155L153-E157 PolarHBondContact O-N 3.47Å; L155-E157 VanDerWaalsContact C-N 3.29Å; L155-E157 PolarHBondContact O-N 2.86Å
158K95.2Very high95.5Very high143 Ų14360.8 Ų60.862%0.62230%0.303SS*.Hα-helixtrans-85.4-31.8-178.7-65.5179.6-177.3-179.70113.6L155 K156L155-K158 PolarHBondContact O-N 2.89Å; K156-K158 PolarHBondContact O-N 3.5Å
159F95.2Very high95.4Very high61 Ų6162.3 Ų62.327%0.26832%0.318SS..Hα-helixtrans-130.831.6-165.6-56.8-57.7000112.7L155 K156 H161 N162 A165 Y166 A169L155-F159 HydrophobicContact CB-CD2 4.44Å; L155-F159 HydrophobicContact CD2-CD2 4.09Å; L155-F159 HydrophobicContact CD2-CE2 3.85Å; L155-F159 PolarHBondContact O-N 3.1Å; K156-F159 PolarHBondContact O-N 3.48Å; F159-H161 VanDerWaalsContact C-N 3.25Å; F159-H161 PolarHBondContact O-N 3.45Å; F159-N162 HydrophobicContact CB-CB 4.47Å; F159-N162 CarbonylContact O-C 3.58Å; F159-N162 PolarHBondContact O-N 2.96Å; F159-A165 HydrophobicContact CD1-CB 3.62Å; F159-A165 HydrophobicContact CE1-CB 3.85Å; F159-A165 HydrophobicContact CG-CB 4.01Å; F159-A165 HydrophobicContact CZ-CB 4.41Å; F159-Y166 HydrophobicContact CB-CD2 4.48Å; F159-A169 HydrophobicContact CD2-CB 4.36Å; F159-A169 HydrophobicContact CE2-CB 3.85Å
160E94Very high95.4Very high70 Ų7061.7 Ų61.733%0.32731%0.314SS..THydrogen-bonded Turntrans-52.2-43-176.2-176.5151-156.400112.9P17 I18 K156P17-E160 CarbonylContact C-O 3.47Å; P17-E160 WeakPolarHBondContact CA-O 3.48Å; P17-E160 HydrophobicContact CB-CG 4.16Å; I18-E160 PolarHBondContact N-O 2.81Å; K156-E160 IonicContact NZ-OE1 3.37Å; K156-E160 PolarHBondContact NZ-OE1 3Å; K156-E160 IonicContact NZ-OE2 3.53Å; K156-E160 PolarHBondContact NZ-OE2 2.97Å; K156-E160 WeakPolarHBondContact O-CA 3.48Å; K156-E160 WeakPolarHBondContact O-CB 3.45Å; K156-E160 PolarHBondContact O-N 3.04Å
161H93.8Very high95.4Very high76 Ų7658.7 Ų58.735%0.35231%0.305SS..THydrogen-bonded Turntrans-108.930.9177.9-58.2-77000112.3W13 E14 F159W13-H161 HydrophobicContact CB-CB 4.4Å; W13-H161 VanDerWaalsContact CB-O 3.24Å; W13-H161 WeakPolarHBondContact CB-O 3.39Å; W13-H161 VanDerWaalsContact CD2-O 3.32Å; W13-H161 PolarHBondContact O-ND1 2.84Å; E14-H161 IonicContact OE1-CD2 2.63Å; E14-H161 IonicContact OE1-CG 2.73Å; E14-H161 IonicContact OE1-ND1 3.25Å; E14-H161 IonicContact OE2-CE1 3.82Å; E14-H161 PolarHBondContact OE2-CE1 3.37Å; E14-H161 IonicContact OE2-ND1 2.73Å; E14-H161 PolarHBondContact OE2-ND1 3.48Å; F159-H161 VanDerWaalsContact C-N 3.25Å; F159-H161 PolarHBondContact O-N 3.45Å
162N92.9Very high95.4Very high53 Ų5362.9 Ų62.928%0.28333%0.328SS..  trans-142.587.6173.5-170.4-28000110.1W13 F159 D164 A165 Y166W13-N162 HydrophobicContact CE3-CB 4.36Å; W13-N162 WeakPolarHBondContact CH2-OD1 3.43Å; W13-N162 HydrophobicContact CZ3-CB 4.25Å; F159-N162 HydrophobicContact CB-CB 4.47Å; F159-N162 CarbonylContact O-C 3.58Å; F159-N162 PolarHBondContact O-N 2.96Å; N162-D164 VanDerWaalsContact C-N 3.29Å; N162-D164 PolarHBondContact O-N 2.88Å; N162-D164 PolarHBondContact OD1-N 3.06Å; N162-A165 HydrophobicContact CB-CB 4.15Å; N162-A165 VanDerWaalsContact CG-CB 3.43Å; N162-A165 VanDerWaalsContact OD1-CB 3.3Å; N162-A165 WeakPolarHBondContact OD1-CB 3.49Å; N162-A165 PolarHBondContact OD1-N 3.14Å; N162-Y166 WeakPolarHBondContact O-CB 3.24Å; N162-Y166 PolarHBondContact O-N 2.86Å
163R92.5Very high95.4Very high25 Ų2564.3 Ų64.39%0.09433%0.334CS..Hα-helixtrans-65-33.1-174.4-69.2-164.2157.2-132.1-9.8113.6F16 P17 I18 Y109 T167F16-R163 PolarHBondContact O-NE 2.98Å; F16-R163 PolarHBondContact O-NH2 2.85Å; P17-R163 PolarHBondContact O-NH2 3.35Å; I18-R163 HydrophobicContact CD1-CB 4.27Å; I18-R163 HydrophobicContact CD1-CG 3.75Å; I18-R163 HydrophobicContact CG1-CG 4.31Å; Y109-R163 PolarHBondContact OH-NH1 2.9Å; Y109-R163 VanDerWaalsContact OH-NH1 3.11Å; R163-T167 WeakPolarHBondContact O-CB 3.3Å; R163-T167 PolarHBondContact O-N 2.84Å; R163-T167 PolarHBondContact O-OG1 3.33Å
164D91.8Very high95.5Very high85 Ų8562.4 Ų62.446%0.45533%0.326SS..Hα-helixtrans-71.5-51.2-177.2-62.4-10000108.9W13 N162 Y166 T167 D168W13-D164 HydrophobicContact CZ2-CB 4.28Å; N162-D164 VanDerWaalsContact C-N 3.29Å; N162-D164 PolarHBondContact O-N 2.88Å; N162-D164 PolarHBondContact OD1-N 3.06Å; D164-Y166 VanDerWaalsContact C-N 3.28Å; D164-Y166 PolarHBondContact O-N 3.12Å; D164-T167 WeakPolarHBondContact O-CA 3.43Å; D164-T167 PolarHBondContact O-N 3.04Å; D164-D168 PolarHBondContact O-N 3.43Å
165A94.6Very high95.5Very high22 Ų2264.8 Ų64.818%0.18233%0.332CS..Hα-helixtrans-59.7-38.6175.200000112.5F159 N162 T167 A169F159-A165 HydrophobicContact CD1-CB 3.62Å; F159-A165 HydrophobicContact CE1-CB 3.85Å; F159-A165 HydrophobicContact CG-CB 4.01Å; F159-A165 HydrophobicContact CZ-CB 4.41Å; N162-A165 HydrophobicContact CB-CB 4.15Å; N162-A165 VanDerWaalsContact CG-CB 3.43Å; N162-A165 VanDerWaalsContact OD1-CB 3.3Å; N162-A165 WeakPolarHBondContact OD1-CB 3.49Å; N162-A165 PolarHBondContact OD1-N 3.14Å; A165-T167 VanDerWaalsContact C-N 3.3Å; A165-T167 PolarHBondContact O-N 3.3Å; A165-A169 WeakPolarHBondContact O-CB 3.23Å; A165-A169 PolarHBondContact O-N 2.9Å
166Y95.8Very high95.6Very high1 Ų169.8 Ų69.80%0.00435%0.353CS..Hα-helixtrans-60.7-40.6173.4179-93.8000112.2I18 K64 K152 L155 K156 F159 N162 D164 K170I18-Y166 HydrophobicContact CD1-CD1 3.63Å; I18-Y166 HydrophobicContact CD1-CD2 4.5Å; I18-Y166 HydrophobicContact CD1-CE1 4.22Å; I18-Y166 HydrophobicContact CD1-CG 3.79Å; I18-Y166 HydrophobicContact CG1-CD1 4.2Å; I18-Y166 HydrophobicContact CG1-CD2 4.18Å; I18-Y166 HydrophobicContact CG1-CG 3.85Å; I18-Y166 HydrophobicContact CG2-CD1 4.35Å; I18-Y166 HydrophobicContact CG2-CD2 3.92Å; I18-Y166 HydrophobicContact CG2-CE1 4.19Å; I18-Y166 HydrophobicContact CG2-CE2 3.75Å; I18-Y166 HydrophobicContact CG2-CG 4.21Å; K64-Y166 HydrophobicContact CD-CE1 4.49Å; K152-Y166 VanDerWaalsContact CB-OH 3.31Å; K152-Y166 WeakPolarHBondContact CB-OH 3.17Å; K152-Y166 VanDerWaalsContact CG-OH 3.31Å; K152-Y166 WeakPolarHBondContact CG-OH 3.43Å; L155-Y166 HydrophobicContact CB-CD2 3.71Å; L155-Y166 HydrophobicContact CB-CE2 3.62Å; K156-Y166 HydrophobicContact CB-CE2 4.38Å; F159-Y166 HydrophobicContact CB-CD2 4.48Å; N162-Y166 WeakPolarHBondContact O-CB 3.24Å; N162-Y166 PolarHBondContact O-N 2.86Å; D164-Y166 VanDerWaalsContact C-N 3.28Å; D164-Y166 PolarHBondContact O-N 3.12Å; Y166-K170 HydrophobicContact CD1-CD 4.45Å; Y166-K170 HydrophobicContact CE1-CD 3.92Å; Y166-K170 VanDerWaalsContact CE1-CE 3.5Å; Y166-K170 WeakPolarHBondContact O-CE 3.41Å
167T93Very high95.7Very high62 Ų6268.1 Ų68.138%0.3835%0.346SS..Hα-helixtrans-70.5-49.2-179.5-60.20000110.7R163 D164 A165 A169 K170R163-T167 WeakPolarHBondContact O-CB 3.3Å; R163-T167 PolarHBondContact O-N 2.84Å; R163-T167 PolarHBondContact O-OG1 3.33Å; D164-T167 WeakPolarHBondContact O-CA 3.43Å; D164-T167 PolarHBondContact O-N 3.04Å; A165-T167 VanDerWaalsContact C-N 3.3Å; A165-T167 PolarHBondContact O-N 3.3Å; T167-A169 VanDerWaalsContact C-N 3.33Å; T167-A169 PolarHBondContact O-N 3.2Å; T167-K170 PolarHBondContact O-N 2.92Å; T167-K170 VanDerWaalsContact O-N 3.15Å
168D96Very high95.9Very high110 Ų11060.3 Ų60.359%0.58831%0.31SS*.Hα-helixtrans-60.9-40.2179.8-71.5-16.4000112.5D164 K170 S171D164-D168 PolarHBondContact O-N 3.43Å; D168-K170 PolarHBondContact O-N 3.38Å; D168-S171 VanDerWaalsContact O-CB 3.25Å; D168-S171 WeakPolarHBondContact O-CB 3.45Å; D168-S171 PolarHBondContact O-N 3.4Å; D168-S171 PolarHBondContact O-OG 3.26Å; D168-S171 VanDerWaalsContact O-OG 3.09Å
169A96.8Very high96Very high43 Ų4360 Ų6036%0.35531%0.308SS..THydrogen-bonded Turntrans-65.9-10.1-179.400000114.1L155 F159 A165 T167L155-A169 HydrophobicContact CD1-CB 3.82Å; L155-A169 HydrophobicContact CD2-CB 3.55Å; L155-A169 HydrophobicContact CG-CB 4.31Å; F159-A169 HydrophobicContact CD2-CB 4.36Å; F159-A169 HydrophobicContact CE2-CB 3.85Å; A165-A169 WeakPolarHBondContact O-CB 3.23Å; A165-A169 PolarHBondContact O-N 2.9Å; T167-A169 VanDerWaalsContact C-N 3.33Å; T167-A169 PolarHBondContact O-N 3.2Å
170K97.1Very high96.2Very high21 Ų2161.2 Ų61.29%0.09131%0.313CS..THydrogen-bonded Turntrans-95.1-13.1173.8-63173-70.1151.60113.2Y148 K152 L155 Y166 T167 D168 D172 F173 V174Y148-K170 HydrophobicContact CE2-CB 4.4Å; Y148-K170 HydrophobicContact CE2-CD 4.13Å; Y148-K170 HydrophobicContact CE2-CG 4.36Å; K152-K170 HydrophobicContact CG-CD 4.18Å; L155-K170 HydrophobicContact CD1-CD 4.42Å; L155-K170 HydrophobicContact CD1-CG 3.43Å; L155-K170 VanDerWaalsContact CD1-CG 3.43Å; Y166-K170 HydrophobicContact CD1-CD 4.45Å; Y166-K170 HydrophobicContact CE1-CD 3.92Å; Y166-K170 VanDerWaalsContact CE1-CE 3.5Å; Y166-K170 WeakPolarHBondContact O-CE 3.41Å; T167-K170 PolarHBondContact O-N 2.92Å; T167-K170 VanDerWaalsContact O-N 3.15Å; D168-K170 PolarHBondContact O-N 3.38Å; K170-D172 PolarHBondContact O-N 2.71Å; K170-F173 WeakPolarHBondContact O-CB 3.48Å; K170-F173 PolarHBondContact O-N 2.77Å; K170-F173 VanDerWaalsContact O-N 3.08Å; K170-V174 HydrophobicContact CB-CG2 4.4Å; K170-V174 WeakPolarHBondContact O-CG2 3.43Å; K170-V174 PolarHBondContact O-N 2.96Å
171S97Very high96.4Very high42 Ų4257.9 Ų57.929%0.29430%0.298SS..Hα-helixtrans-56.2-46.4-167.4-680000112.9D168 F173 V174 Q175D168-S171 VanDerWaalsContact O-CB 3.25Å; D168-S171 WeakPolarHBondContact O-CB 3.45Å; D168-S171 PolarHBondContact O-N 3.4Å; D168-S171 PolarHBondContact O-OG 3.26Å; D168-S171 VanDerWaalsContact O-OG 3.09Å; S171-F173 VanDerWaalsContact C-N 3.3Å; S171-F173 PolarHBondContact O-N 2.91Å; S171-V174 PolarHBondContact O-N 3.01Å; S171-Q175 WeakPolarHBondContact O-CB 3.13Å; S171-Q175 VanDerWaalsContact O-CG 3.29Å; S171-Q175 WeakPolarHBondContact O-CG 3.3Å; S171-Q175 PolarHBondContact O-N 3Å
172D98.1Very high96.6Very high134 Ų13457.6 Ų57.672%0.71729%0.294SS*.Hα-helixtrans-59.7-40.7179.6-71.4-8.6000112.4K170 K176K170-D172 PolarHBondContact O-N 2.71Å; D172-K176 WeakPolarHBondContact O-CB 3.44Å; D172-K176 PolarHBondContact O-N 3.2Å
173F98.6Very high96.8Very high33 Ų3361.8 Ų61.815%0.14531%0.311CS..Hα-helixtrans-66.6-48.5178.4-172.8-77.7000110.7F134 V144 Q147 Y148 L151 K170 S171 K176 Y177F134-F173 HydrophobicContact CE2-CD1 4.17Å; F134-F173 HydrophobicContact CE2-CE1 4.18Å; F134-F173 HydrophobicContact CZ-CD1 4.19Å; F134-F173 HydrophobicContact CZ-CE1 4.22Å; V144-F173 HydrophobicContact CG1-CE1 4.42Å; V144-F173 HydrophobicContact CG1-CZ 4.16Å; Q147-F173 HydrophobicContact CB-CE2 3.99Å; Q147-F173 HydrophobicContact CB-CZ 4.03Å; Y148-F173 VanDerWaalsContact CB-CE1 3.49Å; Y148-F173 AromaticContact CD2-CD1 3.52Å; Y148-F173 HydrophobicContact CD2-CD1 3.52Å; Y148-F173 AromaticContact CD2-CE1 3.59Å; Y148-F173 HydrophobicContact CD2-CE1 3.59Å; Y148-F173 HydrophobicContact CD2-CG 4.24Å; Y148-F173 HydrophobicContact CD2-CZ 4.32Å; Y148-F173 HydrophobicContact CE2-CD1 4.17Å; Y148-F173 HydrophobicContact CG-CD1 4.15Å; Y148-F173 AromaticContact CG-CE1 3.75Å; Y148-F173 HydrophobicContact CG-CE1 3.75Å; Y148-F173 HydrophobicContact CG-CZ 4.38Å; L151-F173 HydrophobicContact CD2-CB 3.52Å; L151-F173 HydrophobicContact CD2-CD1 4.48Å; L151-F173 HydrophobicContact CD2-CD2 3.79Å; L151-F173 HydrophobicContact CD2-CG 3.69Å; K170-F173 WeakPolarHBondContact O-CB 3.48Å; K170-F173 PolarHBondContact O-N 2.77Å; K170-F173 VanDerWaalsContact O-N 3.08Å; S171-F173 VanDerWaalsContact C-N 3.3Å; S171-F173 PolarHBondContact O-N 2.91Å; F173-K176 PolarHBondContact O-N 3.19Å; F173-Y177 AromaticContact CD1-CD2 3.71Å; F173-Y177 HydrophobicContact CD1-CD2 3.71Å; F173-Y177 HydrophobicContact CD1-CE2 4.17Å; F173-Y177 HydrophobicContact CD2-CD2 4.29Å; F173-Y177 AromaticContact CD2-CE2 3.98Å; F173-Y177 HydrophobicContact CD2-CE2 3.98Å; F173-Y177 AromaticContact CE1-CD2 3.37Å; F173-Y177 HydrophobicContact CE1-CD2 3.37Å; F173-Y177 AromaticContact CE1-CE2 3.65Å; F173-Y177 HydrophobicContact CE1-CE2 3.65Å; F173-Y177 HydrophobicContact CE1-CG 4.42Å; F173-Y177 HydrophobicContact CE2-CD2 4.05Å; F173-Y177 AromaticContact CE2-CE2 3.48Å; F173-Y177 HydrophobicContact CE2-CE2 3.48Å; F173-Y177 VanDerWaalsContact CE2-CE2 3.48Å; F173-Y177 HydrophobicContact CG-CD2 4.15Å; F173-Y177 HydrophobicContact CG-CE2 4.31Å; F173-Y177 AromaticContact CZ-CD2 3.57Å; F173-Y177 HydrophobicContact CZ-CD2 3.57Å; F173-Y177 AromaticContact CZ-CE2 3.29Å; F173-Y177 HydrophobicContact CZ-CE2 3.29Å; F173-Y177 WeakPolarHBondContact O-CD2 3.16Å; F173-Y177 PolarHBondContact O-N 3.13Å
174V98.3Very high97.1Very high40 Ų4064 Ų6424%0.24232%0.323CS..Hα-helixtrans-60-52.7-180176.90000109.8F134 Y148 K170 S171 K176 Y177 S178F134-V174 HydrophobicContact CD1-CG1 4.21Å; F134-V174 HydrophobicContact CD2-CG1 4.16Å; F134-V174 HydrophobicContact CE1-CG1 4.41Å; F134-V174 HydrophobicContact CE1-CG2 4.08Å; F134-V174 HydrophobicContact CE2-CB 4.37Å; F134-V174 HydrophobicContact CE2-CG1 4.39Å; F134-V174 HydrophobicContact CE2-CG2 4.33Å; F134-V174 HydrophobicContact CG-CG1 4.07Å; F134-V174 HydrophobicContact CZ-CB 4.41Å; F134-V174 HydrophobicContact CZ-CG1 4.5Å; F134-V174 HydrophobicContact CZ-CG2 3.89Å; Y148-V174 HydrophobicContact CE2-CG2 4.32Å; K170-V174 HydrophobicContact CB-CG2 4.4Å; K170-V174 WeakPolarHBondContact O-CG2 3.43Å; K170-V174 PolarHBondContact O-N 2.96Å; S171-V174 PolarHBondContact O-N 3.01Å; V174-K176 PolarHBondContact O-N 3.28Å; V174-Y177 PolarHBondContact O-N 3.43Å; V174-S178 WeakPolarHBondContact O-CB 3.41Å; V174-S178 PolarHBondContact O-N 3.26Å; V174-S178 PolarHBondContact O-OG 3.09Å
175Q98Very high97.4Very high117 Ų11761.8 Ų61.855%0.54731%0.309SS..Hα-helixtrans-58.8-43.9-179.6-71177.315.600112.7S171 Y177 S178 K179S171-Q175 WeakPolarHBondContact O-CB 3.13Å; S171-Q175 VanDerWaalsContact O-CG 3.29Å; S171-Q175 WeakPolarHBondContact O-CG 3.3Å; S171-Q175 PolarHBondContact O-N 3Å; Q175-Y177 VanDerWaalsContact C-N 3.31Å; Q175-Y177 PolarHBondContact O-N 3.2Å; Q175-S178 PolarHBondContact O-N 3.44Å; Q175-K179 WeakPolarHBondContact O-CB 3.48Å; Q175-K179 PolarHBondContact O-N 3.45Å
176K98.5Very high97.5Very high116 Ų11662.1 Ų62.150%0.50432%0.315SS..Hα-helixtrans-55.6-47.4177.4174.7-175.8175.8-174.70111.4D172 F173 V174 K180D172-K176 WeakPolarHBondContact O-CB 3.44Å; D172-K176 PolarHBondContact O-N 3.2Å; F173-K176 PolarHBondContact O-N 3.19Å; V174-K176 PolarHBondContact O-N 3.28Å; K176-K180 PolarHBondContact O-N 3.09Å
177Y98.6Very high97.4Very high13 Ų1366.5 Ų66.55%0.05134%0.344CS..Hα-helixtrans-83-29.3-175.7-74.7-66.8000113.2Y137 V144 Q147 F173 V174 Q175 K179 K180 A181Y137-Y177 AromaticContact CD1-CD1 3.97Å; Y137-Y177 HydrophobicContact CD1-CD1 3.97Å; Y137-Y177 HydrophobicContact CD1-CG 4.47Å; Y137-Y177 AromaticContact CE1-CD1 3.43Å; Y137-Y177 HydrophobicContact CE1-CD1 3.43Å; Y137-Y177 VanDerWaalsContact CE1-CD1 3.43Å; Y137-Y177 HydrophobicContact CE1-CE1 4.05Å; Y137-Y177 HydrophobicContact CE1-CG 4.34Å; V144-Y177 HydrophobicContact CB-CE1 4.24Å; V144-Y177 HydrophobicContact CG1-CD1 3.55Å; V144-Y177 HydrophobicContact CG1-CD2 3.77Å; V144-Y177 HydrophobicContact CG1-CE1 3.41Å; V144-Y177 VanDerWaalsContact CG1-CE1 3.41Å; V144-Y177 HydrophobicContact CG1-CE2 3.64Å; V144-Y177 HydrophobicContact CG1-CG 3.71Å; V144-Y177 VanDerWaalsContact CG1-CZ 3.44Å; V144-Y177 HydrophobicContact CG2-CD1 4.37Å; V144-Y177 HydrophobicContact CG2-CE1 3.72Å; Q147-Y177 PolarHBondContact OE1-OH 2.94Å; F173-Y177 AromaticContact CD1-CD2 3.71Å; F173-Y177 HydrophobicContact CD1-CD2 3.71Å; F173-Y177 HydrophobicContact CD1-CE2 4.17Å; F173-Y177 HydrophobicContact CD2-CD2 4.29Å; F173-Y177 AromaticContact CD2-CE2 3.98Å; F173-Y177 HydrophobicContact CD2-CE2 3.98Å; F173-Y177 AromaticContact CE1-CD2 3.37Å; F173-Y177 HydrophobicContact CE1-CD2 3.37Å; F173-Y177 AromaticContact CE1-CE2 3.65Å; F173-Y177 HydrophobicContact CE1-CE2 3.65Å; F173-Y177 HydrophobicContact CE1-CG 4.42Å; F173-Y177 HydrophobicContact CE2-CD2 4.05Å; F173-Y177 AromaticContact CE2-CE2 3.48Å; F173-Y177 HydrophobicContact CE2-CE2 3.48Å; F173-Y177 VanDerWaalsContact CE2-CE2 3.48Å; F173-Y177 HydrophobicContact CG-CD2 4.15Å; F173-Y177 HydrophobicContact CG-CE2 4.31Å; F173-Y177 AromaticContact CZ-CD2 3.57Å; F173-Y177 HydrophobicContact CZ-CD2 3.57Å; F173-Y177 AromaticContact CZ-CE2 3.29Å; F173-Y177 HydrophobicContact CZ-CE2 3.29Å; F173-Y177 WeakPolarHBondContact O-CD2 3.16Å; F173-Y177 PolarHBondContact O-N 3.13Å; V174-Y177 PolarHBondContact O-N 3.43Å; Q175-Y177 VanDerWaalsContact C-N 3.31Å; Q175-Y177 PolarHBondContact O-N 3.2Å; Y177-K179 VanDerWaalsContact C-N 3.32Å; Y177-K179 PolarHBondContact O-N 3.26Å; Y177-K180 HydrophobicContact CD1-CD 3.84Å; Y177-K180 HydrophobicContact CE1-CD 3.98Å; Y177-K180 PolarHBondContact O-N 3.44Å; Y177-A181 WeakPolarHBondContact O-CB 3.41Å; Y177-A181 PolarHBondContact O-N 2.83Å
178S98.2Very high97.5Very high0 Ų070.7 Ų70.70%035%0.352CS..Hα-helixtrans-58.2-44.3166.2-60.20000111.5V174 Q175 A181 R182V174-S178 WeakPolarHBondContact O-CB 3.41Å; V174-S178 PolarHBondContact O-N 3.26Å; V174-S178 PolarHBondContact O-OG 3.09Å; Q175-S178 PolarHBondContact O-N 3.44Å; S178-A181 WeakPolarHBondContact O-CB 3.46Å; S178-A181 PolarHBondContact O-N 3.23Å; S178-R182 WeakPolarHBondContact O-CG 3.43Å; S178-R182 PolarHBondContact O-N 3.34Å
179K98.2Very high97.4Very high136 Ų13666.9 Ų66.959%0.59133%0.33SS*.Hα-helixtrans-62.8-45.3176.8-177.6174.9-179.4176.60112.3Q175 Y177 A181 R182 Q183Q175-K179 WeakPolarHBondContact O-CB 3.48Å; Q175-K179 PolarHBondContact O-N 3.45Å; Y177-K179 VanDerWaalsContact C-N 3.32Å; Y177-K179 PolarHBondContact O-N 3.26Å; K179-A181 VanDerWaalsContact C-N 3.3Å; K179-A181 PolarHBondContact O-N 3.07Å; K179-R182 PolarHBondContact O-N 3.25Å; K179-Q183 VanDerWaalsContact O-CG 3.32Å; K179-Q183 WeakPolarHBondContact O-CG 3.42Å; K179-Q183 PolarHBondContact O-N 3.49Å
180K98.6Very high97.3Very high87 Ų8769.2 Ų69.238%0.37834%0.336SS..Hα-helixtrans-60-42.9175-76.6-174.3166-157.90111.7Y137 K176 Y177 Q183 E184Y137-K180 HydrophobicContact CE2-CB 4.07Å; K176-K180 PolarHBondContact O-N 3.09Å; Y177-K180 HydrophobicContact CD1-CD 3.84Å; Y177-K180 HydrophobicContact CE1-CD 3.98Å; Y177-K180 PolarHBondContact O-N 3.44Å; K180-Q183 WeakPolarHBondContact O-CB 3.5Å; K180-Q183 PolarHBondContact O-N 3.25Å; K180-E184 PolarHBondContact O-N 2.97Å
181A98.4Very high96.9Very high0 Ų070.2 Ų70.20%035%0.345CS..Hα-helixtrans-62.1-44178.500000112.5Y133 Y137 Y177 S178 K179 Q183 E184 F185Y133-A181 HydrophobicContact CD1-CB 4.48Å; Y133-A181 WeakPolarHBondContact O-CB 3.41Å; Y137-A181 VanDerWaalsContact CD2-CA 3.44Å; Y137-A181 HydrophobicContact CD2-CB 3.46Å; Y137-A181 VanDerWaalsContact CD2-CB 3.46Å; Y137-A181 HydrophobicContact CE2-CB 4.35Å; Y137-A181 HydrophobicContact CG-CB 3.74Å; Y177-A181 WeakPolarHBondContact O-CB 3.41Å; Y177-A181 PolarHBondContact O-N 2.83Å; S178-A181 WeakPolarHBondContact O-CB 3.46Å; S178-A181 PolarHBondContact O-N 3.23Å; K179-A181 VanDerWaalsContact C-N 3.3Å; K179-A181 PolarHBondContact O-N 3.07Å; A181-Q183 PolarHBondContact O-N 3.02Å; A181-E184 PolarHBondContact O-N 3.45Å; A181-F185 HydrophobicContact CB-CD2 4.14Å; A181-F185 HydrophobicContact CB-CE2 4.02Å; A181-F185 VanDerWaalsContact O-CB 3.3Å; A181-F185 WeakPolarHBondContact O-CB 3.46Å; A181-F185 WeakPolarHBondContact O-CD2 3.46Å; A181-F185 VanDerWaalsContact O-CG 3.29Å; A181-F185 WeakPolarHBondContact O-CG 3.24Å; A181-F185 PolarHBondContact O-N 2.9Å
182R97.7Very high96.3Very high70 Ų7081.4 Ų81.426%0.26439%0.388SS..Hα-helixtrans-61.2-42.7173.4-73.2175.3173.4-80.20.5113D128 D130 Y133 S178 K179 E184 G186D128-R182 VanDerWaalsContact CG-NH1 3.31Å; D128-R182 PolarHBondContact O-NH2 3.37Å; D128-R182 IonicContact OD1-NH1 3.64Å; D128-R182 IonicContact OD2-CZ 2.88Å; D128-R182 IonicContact OD2-NH1 3.61Å; D128-R182 PolarHBondContact OD2-NH1 3.47Å; D130-R182 IonicContact OD1-CZ 2.66Å; D130-R182 IonicContact OD1-NE 3.42Å; D130-R182 PolarHBondContact OD1-NE 2.81Å; D130-R182 IonicContact OD1-NH2 2.85Å; D130-R182 PolarHBondContact OD1-NH2 2.98Å; Y133-R182 HydrophobicContact CD1-CB 4.36Å; Y133-R182 HydrophobicContact CD1-CG 3.67Å; Y133-R182 HydrophobicContact CD2-CG 3.75Å; Y133-R182 HydrophobicContact CE1-CB 4.46Å; Y133-R182 HydrophobicContact CE1-CG 3.85Å; Y133-R182 HydrophobicContact CE2-CG 3.91Å; Y133-R182 VanDerWaalsContact CE2-CZ 3.43Å; Y133-R182 HydrophobicContact CG-CG 3.64Å; S178-R182 WeakPolarHBondContact O-CG 3.43Å; S178-R182 PolarHBondContact O-N 3.34Å; K179-R182 PolarHBondContact O-N 3.25Å; R182-E184 PolarHBondContact O-N 3.22Å; R182-G186 WeakPolarHBondContact O-CA 3.42Å; R182-G186 PolarHBondContact O-N 3.31Å
183Q98.1Very high96.2Very high140 Ų14078.8 Ų78.865%0.65437%0.372SS*.Hα-helixtrans-60.7-36.9177.5-73.2173-19.200111.8K179 K180 A181K179-Q183 VanDerWaalsContact O-CG 3.32Å; K179-Q183 WeakPolarHBondContact O-CG 3.42Å; K179-Q183 PolarHBondContact O-N 3.49Å; K180-Q183 WeakPolarHBondContact O-CB 3.5Å; K180-Q183 PolarHBondContact O-N 3.25Å; A181-Q183 PolarHBondContact O-N 3.02Å
184E98.3Very high96Very high73 Ų7381.2 Ų81.234%0.34138%0.384SS..Hα-helixtrans-85.2-43.1-177.3-169.8-176.8138.900113.4K140 Y141 K180 A181 R182K140-E184 VanDerWaalsContact CE-OE1 3.3Å; K140-E184 WeakPolarHBondContact CE-OE1 2.94Å; K140-E184 IonicContact NZ-OE1 2.7Å; K140-E184 PolarHBondContact NZ-OE1 2.84Å; Y141-E184 VanDerWaalsContact CE2-OE2 3.3Å; Y141-E184 WeakPolarHBondContact CE2-OE2 3.21Å; Y141-E184 PolarHBondContact OH-OE1 3.41Å; Y141-E184 PolarHBondContact OH-OE2 3.23Å; K180-E184 PolarHBondContact O-N 2.97Å; A181-E184 PolarHBondContact O-N 3.45Å; R182-E184 PolarHBondContact O-N 3.22Å
185F97.8Very high95.9Very high37 Ų3783.5 Ų83.516%0.16239%0.391CS..Hα-helixtrans-87.6-12.2-174.4-56.5-25.8000113Y133 D136 Y137 K140 A181 R188Y133-F185 HydrophobicContact CD1-CB 4.39Å; Y133-F185 HydrophobicContact CD1-CD2 4.17Å; Y133-F185 HydrophobicContact CE1-CB 4.37Å; D136-F185 HydrophobicContact CB-CE2 4.11Å; Y137-F185 HydrophobicContact CD2-CE2 4.19Å; Y137-F185 AromaticContact CD2-CZ 3.98Å; Y137-F185 HydrophobicContact CD2-CZ 3.98Å; K140-F185 HydrophobicContact CD-CE1 3.8Å; K140-F185 HydrophobicContact CD-CZ 4.06Å; A181-F185 HydrophobicContact CB-CD2 4.14Å; A181-F185 HydrophobicContact CB-CE2 4.02Å; A181-F185 VanDerWaalsContact O-CB 3.3Å; A181-F185 WeakPolarHBondContact O-CB 3.46Å; A181-F185 WeakPolarHBondContact O-CD2 3.46Å; A181-F185 VanDerWaalsContact O-CG 3.29Å; A181-F185 WeakPolarHBondContact O-CG 3.24Å; A181-F185 PolarHBondContact O-N 2.9Å; F185-R188 HydrophobicContact CB-CB 4.23Å
186G96.1Very high95.8Very high29 Ų2981.5 Ų81.530%0.29938%0.382SS..  trans66.5-157.8-173.900000112Y133 R182 R188Y133-G186 VanDerWaalsContact CE1-O 3.28Å; Y133-G186 WeakPolarHBondContact CE1-O 3.48Å; Y133-G186 PolarHBondContact OH-O 3.01Å; R182-G186 WeakPolarHBondContact O-CA 3.42Å; R182-G186 PolarHBondContact O-N 3.31Å; G186-R188 PolarHBondContact O-N 3.35Å
187P94.4Very high95.6Very high94 Ų9479.4 Ų79.461%0.6138%0.375SS*.SBendtrans-78.651.3-178.334.7-36.8000111.8Y189 L190P187-Y189 VanDerWaalsContact C-N 3.31Å; P187-Y189 PolarHBondContact O-N 3.26Å; P187-L190 HydrophobicContact CB-CB 3.89Å; P187-L190 HydrophobicContact CB-CD2 4.04Å; P187-L190 PolarHBondContact O-N 2.97Å
188R94.9Very high95.4Very high150 Ų15083.8 Ų83.857%0.56640%0.396SS*.SBendtrans-63.6-34-169.5-172173.2-171.6-165.44.4113.3Y133 D136 F185 G186Y133-R188 HydrophobicContact CE1-CB 4.27Å; Y133-R188 PolarHBondContact OH-N 2.79Å; D136-R188 IonicContact OD2-NH1 3.74Å; F185-R188 HydrophobicContact CB-CB 4.23Å; G186-R188 PolarHBondContact O-N 3.35Å
189Y94.7Very high95.2Very high30 Ų3089.8 Ų89.812%0.11843%0.425CS..SBendtrans-109.22.6-178.3-50.5-72.1000113.6R49 F132 Y133 D136 P187 P191R49-Y189 PolarHBondContact NH1-O 3.11Å; F132-Y189 HydrophobicContact CB-CD1 3.89Å; F132-Y189 HydrophobicContact CB-CD2 3.36Å; F132-Y189 HydrophobicContact CB-CE1 4Å; F132-Y189 HydrophobicContact CB-CE2 3.52Å; F132-Y189 HydrophobicContact CB-CG 3.59Å; F132-Y189 HydrophobicContact CD2-CD1 4.17Å; F132-Y189 HydrophobicContact CD2-CD2 4.29Å; F132-Y189 AromaticContact CD2-CG 3.79Å; F132-Y189 HydrophobicContact CD2-CG 3.79Å; F132-Y189 HydrophobicContact CG-CD1 4.1Å; F132-Y189 HydrophobicContact CG-CD2 4.22Å; F132-Y189 AromaticContact CG-CG 3.96Å; F132-Y189 HydrophobicContact CG-CG 3.96Å; Y133-Y189 AromaticContact CD1-CD2 3.93Å; Y133-Y189 HydrophobicContact CD1-CD2 3.93Å; Y133-Y189 AromaticContact CD1-CE2 3.84Å; Y133-Y189 HydrophobicContact CD1-CE2 3.84Å; Y133-Y189 AromaticContact CD2-CD2 3.84Å; Y133-Y189 HydrophobicContact CD2-CD2 3.84Å; Y133-Y189 HydrophobicContact CD2-CE2 4.35Å; Y133-Y189 AromaticContact CE1-CD2 3.67Å; Y133-Y189 HydrophobicContact CE1-CD2 3.67Å; Y133-Y189 AromaticContact CE1-CE2 3.91Å; Y133-Y189 HydrophobicContact CE1-CE2 3.91Å; Y133-Y189 AromaticContact CE2-CD2 3.59Å; Y133-Y189 HydrophobicContact CE2-CD2 3.59Å; Y133-Y189 HydrophobicContact CE2-CE2 4.43Å; Y133-Y189 HydrophobicContact CE2-CG 4.48Å; Y133-Y189 AromaticContact CG-CD2 3.99Å; Y133-Y189 HydrophobicContact CG-CD2 3.99Å; Y133-Y189 HydrophobicContact CG-CE2 4.05Å; Y133-Y189 AromaticContact CZ-CD2 3.49Å; Y133-Y189 VanDerWaalsContact CZ-CD2 3.49Å; Y133-Y189 PolarHBondContact OH-N 3.22Å; D136-Y189 VanDerWaalsContact CG-OH 3.24Å; D136-Y189 PolarHBondContact OD2-OH 3.37Å; P187-Y189 VanDerWaalsContact C-N 3.31Å; P187-Y189 PolarHBondContact O-N 3.26Å; Y189-P191 WeakPolarHBondContact O-CD 3.3Å
190L93.2Very high95Very high92 Ų9286.2 Ų86.248%0.48241%0.412SS..  trans-56.2126.9175.4-170.568.7000109D128 P187D128-L190 HydrophobicContact CB-CD1 3.81Å; D128-L190 PolarHBondContact OD1-N 2.73Å; P187-L190 HydrophobicContact CB-CB 3.89Å; P187-L190 HydrophobicContact CB-CD2 4.04Å; P187-L190 PolarHBondContact O-N 2.97Å
191P89.3Confident94.7Very high42 Ų4286.2 Ų86.227%0.27341%0.414SS..  trans-55.3139174.4-26.137.9000111.7I126 Y189I126-P191 HydrophobicContact CD1-CB 4.06Å; I126-P191 HydrophobicContact CD1-CG 4.18Å; I126-P191 HydrophobicContact CG1-CB 4.06Å; I126-P191 HydrophobicContact CG1-CG 3.66Å; Y189-P191 WeakPolarHBondContact O-CD 3.3Å
192K83.5Confident94.4Very high277 Ų27794 Ų94100%1.20445%0.452SS*.  trans-90.80-179.9-71.7-174.1179.2179.80111.1

Retrieved 192 of 192 residues in 110.4 ms (Link to these results)

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