A0A087XGG3_POEFO Loading...

Sorting nexin 29

AlphaFold DB , UniProt , Accession A0A087XGG3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 600 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
1M52.2Low82.1Confident206 Ų20688.9 Ų88.9100%1.01548%0.484SS*.  0-41.30-67.4165.79400112.3G3 T4M1-G3 VanDerWaalsContact C-N 3.25Å; M1-G3 PolarHBondContact O-N 2.66Å; M1-T4 PolarHBondContact O-N 2.96Å
2N62.2Low83.3Confident130 Ų13087.6 Ų87.670%0.69547%0.472SS*.Hα-helixtrans-53.9-29.5-175.3-53.930.9000116.1T4 Q6N2-T4 PolarHBondContact O-N 3.44Å; N2-Q6 WeakPolarHBondContact O-CB 3.43Å; N2-Q6 PolarHBondContact O-N 2.76Å
3G71.9Confident84.4Confident46 Ų4685.5 Ų85.547%0.47446%0.461SS..Hα-helixtrans-61.2-44.9-176.200000114M1 Q6 N7M1-G3 VanDerWaalsContact C-N 3.25Å; M1-G3 PolarHBondContact O-N 2.66Å; G3-Q6 PolarHBondContact O-N 3.25Å; G3-N7 PolarHBondContact O-N 2.96Å; G3-N7 VanDerWaalsContact O-N 3.16Å; G3-N7 PolarHBondContact O-ND2 2.98Å
4T76.1Confident85.4Confident95 Ų9580.7 Ų80.758%0.58344%0.435SS*.Hα-helixtrans-65.1-53.1179.8-36.90000110.4M1 N2 Q6 N7 D8M1-T4 PolarHBondContact O-N 2.96Å; N2-T4 PolarHBondContact O-N 3.44Å; T4-Q6 VanDerWaalsContact C-N 3.25Å; T4-Q6 PolarHBondContact O-N 2.81Å; T4-N7 WeakPolarHBondContact O-CA 3.45Å; T4-N7 WeakPolarHBondContact O-CB 3.27Å; T4-N7 PolarHBondContact O-N 2.94Å; T4-D8 PolarHBondContact O-N 2.93Å; T4-D8 VanDerWaalsContact O-OD2 3.13Å
5Q80.6Confident86.3Confident138 Ų13876 Ų7665%0.64541%0.409SS*.Hα-helixtrans-54.7-38.3176.3-71.4177-27.300112.9N7 A9Q5-N7 VanDerWaalsContact C-N 3.33Å; Q5-A9 VanDerWaalsContact O-CB 3.29Å; Q5-A9 WeakPolarHBondContact O-CB 3.39Å; Q5-A9 PolarHBondContact O-N 3.33Å
6Q87.9Confident87Confident122 Ų12276.8 Ų76.857%0.5741%0.41SS*.Hα-helixtrans-68.1-32.5176.3-158.1-156.95200112.4N2 G3 T4 K10N2-Q6 WeakPolarHBondContact O-CB 3.43Å; N2-Q6 PolarHBondContact O-N 2.76Å; G3-Q6 PolarHBondContact O-N 3.25Å; T4-Q6 VanDerWaalsContact C-N 3.25Å; T4-Q6 PolarHBondContact O-N 2.81Å; Q6-K10 WeakPolarHBondContact O-CE 3.42Å; Q6-K10 VanDerWaalsContact O-CG 3.26Å; Q6-K10 WeakPolarHBondContact O-CG 3.42Å; Q6-K10 PolarHBondContact O-N 2.96Å
7N91.7Very high87.7Confident32 Ų3279.4 Ų79.417%0.17141%0.412CS..Hα-helixtrans-76.8-38.6176.8-69.2-18.3000111.8G3 T4 Q5 A9 K10 R11 W150G3-N7 PolarHBondContact O-N 2.96Å; G3-N7 VanDerWaalsContact O-N 3.16Å; G3-N7 PolarHBondContact O-ND2 2.98Å; T4-N7 WeakPolarHBondContact O-CA 3.45Å; T4-N7 WeakPolarHBondContact O-CB 3.27Å; T4-N7 PolarHBondContact O-N 2.94Å; Q5-N7 VanDerWaalsContact C-N 3.33Å; N7-A9 VanDerWaalsContact C-N 3.33Å; N7-A9 PolarHBondContact O-N 3.34Å; N7-K10 WeakPolarHBondContact O-CB 3.4Å; N7-K10 PolarHBondContact O-N 3.49Å; N7-K10 VanDerWaalsContact O-N 3.14Å; N7-K10 PolarHBondContact OD1-NZ 3.33Å; N7-R11 WeakPolarHBondContact O-CG 3.36Å; N7-R11 PolarHBondContact O-N 2.97Å; N7-W150 HydrophobicContact CB-CB 4.2Å; N7-W150 WeakPolarHBondContact ND2-CB 3.4Å
8D93.2Very high88.3Confident51 Ų5174.9 Ų74.927%0.27339%0.389SS..Hα-helixtrans-68.9-34.2176-56.6-38000111.5T4 R11 Q12T4-D8 PolarHBondContact O-N 2.93Å; T4-D8 VanDerWaalsContact O-OD2 3.13Å; D8-R11 PolarHBondContact O-N 2.9Å; D8-R11 IonicContact OD1-CZ 2.77Å; D8-R11 IonicContact OD1-NH1 3.74Å; D8-R11 PolarHBondContact OD1-NH1 3.25Å; D8-Q12 WeakPolarHBondContact O-CB 3.38Å; D8-Q12 PolarHBondContact O-N 3.2Å
9A94.8Very high88.8Confident58 Ų5873.7 Ų73.748%0.47938%0.383SS..Hα-helixtrans-63.1-38.1168.400000112.9Q5 N7 N13Q5-A9 VanDerWaalsContact O-CB 3.29Å; Q5-A9 WeakPolarHBondContact O-CB 3.39Å; Q5-A9 PolarHBondContact O-N 3.33Å; N7-A9 VanDerWaalsContact C-N 3.33Å; N7-A9 PolarHBondContact O-N 3.34Å; A9-N13 WeakPolarHBondContact O-CB 3.41Å; A9-N13 PolarHBondContact O-N 3.48Å
10K95.3Very high89.3Confident75 Ų7574.1 Ų74.133%0.32639%0.386SS..Hα-helixtrans-65.3-45172.7-68.2161.7-155160.90111.3Q6 N7 N13 L14Q6-K10 WeakPolarHBondContact O-CE 3.42Å; Q6-K10 VanDerWaalsContact O-CG 3.26Å; Q6-K10 WeakPolarHBondContact O-CG 3.42Å; Q6-K10 PolarHBondContact O-N 2.96Å; N7-K10 WeakPolarHBondContact O-CB 3.4Å; N7-K10 PolarHBondContact O-N 3.49Å; N7-K10 VanDerWaalsContact O-N 3.14Å; N7-K10 PolarHBondContact OD1-NZ 3.33Å; K10-N13 PolarHBondContact O-N 3.36Å; K10-L14 WeakPolarHBondContact O-CB 3.45Å; K10-L14 WeakPolarHBondContact O-CG 3.38Å; K10-L14 PolarHBondContact O-N 2.77Å
11R96.9Very high89.8Confident25 Ų2570.7 Ų70.79%0.09437%0.369CS..Hα-helixtrans-58.9-48.4176.6-71.3167159.6164.4-12.5111.5N7 D8 N13 L14 L15 D149 W150 A151 F152 D155N7-R11 WeakPolarHBondContact O-CG 3.36Å; N7-R11 PolarHBondContact O-N 2.97Å; D8-R11 PolarHBondContact O-N 2.9Å; D8-R11 IonicContact OD1-CZ 2.77Å; D8-R11 IonicContact OD1-NH1 3.74Å; D8-R11 PolarHBondContact OD1-NH1 3.25Å; R11-N13 PolarHBondContact O-N 3.12Å; R11-L14 PolarHBondContact O-N 3.39Å; R11-L15 PolarHBondContact O-N 3.13Å; R11-D149 PolarHBondContact NH2-O 3.42Å; R11-W150 PolarHBondContact NE-O 3.05Å; R11-W150 VanDerWaalsContact NH2-C 3.33Å; R11-A151 PolarHBondContact NE-O 2.96Å; R11-A151 PolarHBondContact NH2-O 3.05Å; R11-F152 HydrophobicContact CB-CD2 4.45Å; R11-F152 WeakPolarHBondContact O-CE2 3.34Å; R11-D155 WeakPolarHBondContact CD-OD2 3.47Å; R11-D155 IonicContact CZ-OD2 3.21Å; R11-D155 IonicContact NE-OD2 2.7Å
12Q97.1Very high92Very high73 Ų7361.2 Ų61.234%0.34132%0.322SS..Hα-helixtrans-56.2-49.6173.918065.732.800111.3D8 L14 L15 E16D8-Q12 WeakPolarHBondContact O-CB 3.38Å; D8-Q12 PolarHBondContact O-N 3.2Å; Q12-L14 VanDerWaalsContact C-N 3.32Å; Q12-L14 PolarHBondContact O-N 2.91Å; Q12-L15 WeakPolarHBondContact O-CB 3.16Å; Q12-L15 PolarHBondContact O-N 2.79Å; Q12-E16 WeakPolarHBondContact CG-OE1 3.34Å; Q12-E16 PolarHBondContact NE2-OE1 3Å; Q12-E16 VanDerWaalsContact O-CG 3.32Å; Q12-E16 WeakPolarHBondContact O-CG 3.43Å; Q12-E16 PolarHBondContact O-N 3.47Å
13N97.8Very high93.7Very high61 Ų6160.1 Ų60.133%0.32631%0.311SS..Hα-helixtrans-70-25.4-176.8-172.1-125.4000114A9 K10 R11 R17A9-N13 WeakPolarHBondContact O-CB 3.41Å; A9-N13 PolarHBondContact O-N 3.48Å; K10-N13 PolarHBondContact O-N 3.36Å; R11-N13 PolarHBondContact O-N 3.12Å; N13-R17 WeakPolarHBondContact O-CG 3.4Å; N13-R17 PolarHBondContact O-N 2.87Å; N13-R17 PolarHBondContact OD1-NH1 3.33Å; N13-R17 PolarHBondContact OD1-NH2 2.87Å
14L98.1Very high94.9Very high18 Ų1861.6 Ų61.69%0.09431%0.305CS..Hα-helixtrans-73.2-44.2169.6-77.4166.8000112K10 R11 Q12 E16 R17 L18 A52 V53 H56 F152K10-L14 WeakPolarHBondContact O-CB 3.45Å; K10-L14 WeakPolarHBondContact O-CG 3.38Å; K10-L14 PolarHBondContact O-N 2.77Å; R11-L14 PolarHBondContact O-N 3.39Å; Q12-L14 VanDerWaalsContact C-N 3.32Å; Q12-L14 PolarHBondContact O-N 2.91Å; L14-E16 VanDerWaalsContact C-N 3.34Å; L14-E16 PolarHBondContact O-N 3.2Å; L14-R17 PolarHBondContact O-N 2.94Å; L14-L18 PolarHBondContact O-N 3.38Å; L14-A52 HydrophobicContact CD2-CB 3.98Å; L14-V53 HydrophobicContact CB-CG2 4.03Å; L14-V53 HydrophobicContact CD2-CG2 4.49Å; L14-H56 HydrophobicContact CD1-CB 3.5Å; L14-H56 WeakPolarHBondContact CD1-CD2 3.45Å; L14-F152 HydrophobicContact CB-CD2 3.99Å; L14-F152 HydrophobicContact CB-CE2 4.09Å; L14-F152 HydrophobicContact CD1-CD2 4.35Å
15L98.3Very high96Very high10 Ų1057 Ų575%0.05228%0.278CS..Hα-helixtrans-58.4-46.6175.4173.865.8000110.9R11 Q12 L18 L19 F152 R158 M161 M165R11-L15 PolarHBondContact O-N 3.13Å; Q12-L15 WeakPolarHBondContact O-CB 3.16Å; Q12-L15 PolarHBondContact O-N 2.79Å; L15-L18 PolarHBondContact O-N 3.06Å; L15-L19 HydrophobicContact CD1-CD1 3.91Å; L15-L19 HydrophobicContact CD1-CG 4.15Å; L15-L19 HydrophobicContact CG-CD1 3.85Å; L15-L19 HydrophobicContact CG-CG 4.47Å; L15-L19 WeakPolarHBondContact O-CB 3.29Å; L15-L19 WeakPolarHBondContact O-CG 3.27Å; L15-L19 PolarHBondContact O-N 2.84Å; L15-F152 HydrophobicContact CB-CE2 3.9Å; L15-F152 HydrophobicContact CB-CZ 4.06Å; L15-F152 HydrophobicContact CD1-CZ 4.29Å; L15-R158 HydrophobicContact CD2-CG 4.49Å; L15-M161 HydrophobicContact CD1-CB 4.48Å; L15-M161 HydrophobicContact CD1-CE 3.92Å; L15-M161 HydrophobicContact CD1-SD 4.21Å; L15-M161 HydrophobicContact CD2-CE 3.49Å; L15-M161 VanDerWaalsContact CD2-CE 3.49Å; L15-M161 HydrophobicContact CD2-SD 4.36Å; L15-M161 HydrophobicContact CG-CE 4.37Å; L15-M165 HydrophobicContact CD1-SD 3.95Å
16E98.3Very high96.7Very high89 Ų8953.7 Ų53.742%0.41626%0.262SS..Hα-helixtrans-59.3-47.8178.2-74.2164.817500112.7Q12 L14 L19 D20Q12-E16 WeakPolarHBondContact CG-OE1 3.34Å; Q12-E16 PolarHBondContact NE2-OE1 3Å; Q12-E16 VanDerWaalsContact O-CG 3.32Å; Q12-E16 WeakPolarHBondContact O-CG 3.43Å; Q12-E16 PolarHBondContact O-N 3.47Å; L14-E16 VanDerWaalsContact C-N 3.34Å; L14-E16 PolarHBondContact O-N 3.2Å; E16-L19 PolarHBondContact O-N 3Å; E16-D20 PolarHBondContact O-N 2.84Å
17R98.5Very high97.2Very high120 Ų12053.4 Ų53.445%0.45326%0.263SS..Hα-helixtrans-63.9-41.5177.6-74.5-169.2-171.492.99.9112.5N13 L14 D20 A21 Q49N13-R17 WeakPolarHBondContact O-CG 3.4Å; N13-R17 PolarHBondContact O-N 2.87Å; N13-R17 PolarHBondContact OD1-NH1 3.33Å; N13-R17 PolarHBondContact OD1-NH2 2.87Å; L14-R17 PolarHBondContact O-N 2.94Å; R17-D20 PolarHBondContact O-N 3.49Å; R17-A21 WeakPolarHBondContact O-CB 3.44Å; R17-A21 PolarHBondContact O-N 2.98Å; R17-Q49 HydrophobicContact CB-CG 4.16Å; R17-Q49 VanDerWaalsContact CB-OE1 3.29Å; R17-Q49 VanDerWaalsContact CD-OE1 3.31Å
18L98.6Very high97.4Very high0 Ų054.7 Ų54.70%027%0.266CS..Hα-helixtrans-68.2-40.1178.5-174.965.7000111.3L14 L15 D20 A21 V22 Q49 F50 V53 L162 M165L14-L18 PolarHBondContact O-N 3.38Å; L15-L18 PolarHBondContact O-N 3.06Å; L18-D20 VanDerWaalsContact C-N 3.35Å; L18-D20 PolarHBondContact O-N 3.18Å; L18-A21 PolarHBondContact O-N 2.87Å; L18-V22 WeakPolarHBondContact O-CB 3.31Å; L18-V22 VanDerWaalsContact O-CG2 3.28Å; L18-V22 WeakPolarHBondContact O-CG2 3.38Å; L18-V22 PolarHBondContact O-N 2.9Å; L18-Q49 HydrophobicContact CB-CB 4.11Å; L18-Q49 HydrophobicContact CD1-CB 3.57Å; L18-Q49 HydrophobicContact CG-CB 4.45Å; L18-F50 HydrophobicContact CD1-CB 4.32Å; L18-F50 HydrophobicContact CD1-CD1 3.95Å; L18-F50 HydrophobicContact CD1-CD2 3.74Å; L18-F50 HydrophobicContact CD1-CE1 4.19Å; L18-F50 HydrophobicContact CD1-CE2 3.99Å; L18-F50 HydrophobicContact CD1-CG 3.71Å; L18-F50 HydrophobicContact CD1-CZ 4.2Å; L18-F50 HydrophobicContact CD2-CD1 3.88Å; L18-F50 HydrophobicContact CD2-CE1 3.83Å; L18-F50 HydrophobicContact CD2-CG 4.48Å; L18-F50 HydrophobicContact CD2-CZ 4.4Å; L18-V53 HydrophobicContact CB-CG2 4.44Å; L18-V53 HydrophobicContact CD2-CG2 4.08Å; L18-L162 HydrophobicContact CD2-CD2 3.56Å; L18-M165 HydrophobicContact CB-CE 3.81Å; L18-M165 HydrophobicContact CD2-CE 3.53Å; L18-M165 HydrophobicContact CG-CE 3.4Å
19L98.3Very high97.6Very high51 Ų5152.4 Ų52.427%0.26725%0.253SS..Hα-helixtrans-61.1-40.5173.5-80169.4000112.3L15 E16 K23 M165L15-L19 HydrophobicContact CD1-CD1 3.91Å; L15-L19 HydrophobicContact CD1-CG 4.15Å; L15-L19 HydrophobicContact CG-CD1 3.85Å; L15-L19 HydrophobicContact CG-CG 4.47Å; L15-L19 WeakPolarHBondContact O-CB 3.29Å; L15-L19 WeakPolarHBondContact O-CG 3.27Å; L15-L19 PolarHBondContact O-N 2.84Å; E16-L19 PolarHBondContact O-N 3Å; L19-K23 WeakPolarHBondContact O-CB 3.37Å; L19-K23 WeakPolarHBondContact O-CD 3.33Å; L19-K23 WeakPolarHBondContact O-CG 3.22Å; L19-K23 PolarHBondContact O-N 3.26Å; L19-K23 VanDerWaalsContact O-N 3.13Å; L19-M165 HydrophobicContact CB-CE 4.34Å; L19-M165 HydrophobicContact CD2-CE 3.71Å; L19-M165 HydrophobicContact CD2-CG 3.86Å; L19-M165 HydrophobicContact CD2-SD 3.61Å; L19-M165 HydrophobicContact CG-CE 3.68Å; L19-M165 HydrophobicContact CG-SD 3.94Å
20D98.5Very high97.5Very high82 Ų8250.9 Ų50.944%0.43924%0.243SC..Hα-helixtrans-66.2-50.4173.1-176.455000111.3E16 R17 L18 V22 K23 Q24E16-D20 PolarHBondContact O-N 2.84Å; R17-D20 PolarHBondContact O-N 3.49Å; L18-D20 VanDerWaalsContact C-N 3.35Å; L18-D20 PolarHBondContact O-N 3.18Å; D20-V22 VanDerWaalsContact C-N 3.28Å; D20-V22 PolarHBondContact O-N 3.47Å; D20-K23 CarbonylContact O-C 3.6Å; D20-K23 WeakPolarHBondContact O-CA 3.45Å; D20-K23 WeakPolarHBondContact O-CB 3.46Å; D20-K23 PolarHBondContact O-N 3.47Å; D20-Q24 WeakPolarHBondContact O-CG 3.21Å; D20-Q24 PolarHBondContact O-N 2.9Å; D20-Q24 PolarHBondContact OD1-NE2 3.27Å
21A98.6Very high97.1Very high3 Ų350.9 Ų50.93%0.02527%0.265CS..Hα-helixtrans-57.1-39-179.800000113.1R17 L18 C25 L46 Q49R17-A21 WeakPolarHBondContact O-CB 3.44Å; R17-A21 PolarHBondContact O-N 2.98Å; L18-A21 PolarHBondContact O-N 2.87Å; A21-C25 PolarHBondContact O-N 3.42Å; A21-C25 PolarHBondContact O-SG 3.31Å; A21-L46 HydrophobicContact CB-CD1 4.27Å; A21-Q49 HydrophobicContact CB-CB 4.36Å; A21-Q49 HydrophobicContact CB-CG 3.85Å
22V98.4Very high96.7Very high6 Ų655.6 Ų55.64%0.03628%0.282CS..Hα-helixtrans-61.4-50.2171.3168.50000111L18 D20 Q24 C25 Q26 L46 M165 L169L18-V22 WeakPolarHBondContact O-CB 3.31Å; L18-V22 VanDerWaalsContact O-CG2 3.28Å; L18-V22 WeakPolarHBondContact O-CG2 3.38Å; L18-V22 PolarHBondContact O-N 2.9Å; D20-V22 VanDerWaalsContact C-N 3.28Å; D20-V22 PolarHBondContact O-N 3.47Å; V22-Q24 PolarHBondContact O-N 3.03Å; V22-C25 PolarHBondContact O-N 2.94Å; V22-Q26 HydrophobicContact CG1-CG 4.41Å; V22-Q26 WeakPolarHBondContact O-CG 3.39Å; V22-Q26 PolarHBondContact O-N 3.27Å; V22-L46 HydrophobicContact CB-CD1 4.45Å; V22-L46 HydrophobicContact CG2-CD1 3.67Å; V22-M165 HydrophobicContact CG2-CB 4.46Å; V22-M165 HydrophobicContact CG2-CE 4.42Å; V22-L169 HydrophobicContact CB-CD2 4.45Å; V22-L169 HydrophobicContact CG1-CD2 4.02Å; V22-L169 HydrophobicContact CG1-CG 4.36Å; V22-L169 HydrophobicContact CG2-CD1 4.36Å; V22-L169 HydrophobicContact CG2-CD2 4.38Å
23K98.2Very high96.3Very high108 Ų10862.2 Ų62.247%0.4731%0.31SS..Hα-helixtrans-60.2-42.7177.9-72.2165.5-173.6175.40112.5L19 D20 C25 Q26 I27L19-K23 WeakPolarHBondContact O-CB 3.37Å; L19-K23 WeakPolarHBondContact O-CD 3.33Å; L19-K23 WeakPolarHBondContact O-CG 3.22Å; L19-K23 PolarHBondContact O-N 3.26Å; L19-K23 VanDerWaalsContact O-N 3.13Å; D20-K23 CarbonylContact O-C 3.6Å; D20-K23 WeakPolarHBondContact O-CA 3.45Å; D20-K23 WeakPolarHBondContact O-CB 3.46Å; D20-K23 PolarHBondContact O-N 3.47Å; K23-C25 VanDerWaalsContact C-N 3.29Å; K23-C25 PolarHBondContact O-N 3.35Å; K23-Q26 PolarHBondContact O-N 3.3Å; K23-I27 WeakPolarHBondContact O-CB 3.33Å; K23-I27 WeakPolarHBondContact O-CD1 3.38Å; K23-I27 VanDerWaalsContact O-CG1 3.23Å; K23-I27 WeakPolarHBondContact O-CG1 3.39Å; K23-I27 PolarHBondContact O-N 2.68Å
24Q98.2Very high96.1Very high76 Ų7662.9 Ų62.936%0.35531%0.311SS..Hα-helixtrans-62.5-37.5178.3-61.2-54.1-30.100111.6D20 V22 R28 R42D20-Q24 WeakPolarHBondContact O-CG 3.21Å; D20-Q24 PolarHBondContact O-N 2.9Å; D20-Q24 PolarHBondContact OD1-NE2 3.27Å; V22-Q24 PolarHBondContact O-N 3.03Å; Q24-R28 WeakPolarHBondContact O-CB 3.34Å; Q24-R28 PolarHBondContact O-N 2.97Å; Q24-R42 HydrophobicContact CB-CG 4Å; Q24-R42 WeakPolarHBondContact O-CD 3.43Å
25C97.8Very high96Very high0 Ų066.5 Ų66.50%033%0.33CS..Hα-helixtrans-68.4-44.7173.4-65.40000111.9A21 V22 K23 R28 F29 R42 L46 L169 I172A21-C25 PolarHBondContact O-N 3.42Å; A21-C25 PolarHBondContact O-SG 3.31Å; V22-C25 PolarHBondContact O-N 2.94Å; K23-C25 VanDerWaalsContact C-N 3.29Å; K23-C25 PolarHBondContact O-N 3.35Å; C25-R28 PolarHBondContact O-N 2.94Å; C25-F29 PolarHBondContact O-N 3.48Å; C25-R42 PolarHBondContact SG-O 3Å; C25-L46 HydrophobicContact CB-CD2 4.37Å; C25-L169 HydrophobicContact CB-CD2 4.23Å; C25-I172 HydrophobicContact CB-CD1 3.88Å
26Q97.1Very high96Very high68 Ų6866 Ų6632%0.31833%0.327SS..Hα-helixtrans-60.5-45.5176.5-71.8175.4-40.400112.4V22 K23 R28 G30 G168 I172V22-Q26 HydrophobicContact CG1-CG 4.41Å; V22-Q26 WeakPolarHBondContact O-CG 3.39Å; V22-Q26 PolarHBondContact O-N 3.27Å; K23-Q26 PolarHBondContact O-N 3.3Å; Q26-R28 VanDerWaalsContact C-N 3.27Å; Q26-R28 PolarHBondContact O-N 2.87Å; Q26-G30 VanDerWaalsContact O-CA 3.29Å; Q26-G30 WeakPolarHBondContact O-CA 3.28Å; Q26-G30 PolarHBondContact O-N 3.37Å; Q26-G168 VanDerWaalsContact NE2-C 3.33Å; Q26-G168 PolarHBondContact NE2-O 2.84Å; Q26-I172 HydrophobicContact CG-CD1 4.45Å
27I96.6Very high95.9Very high116 Ų11664 Ų6460%0.59532%0.321SS*.Hα-helixtrans-62.1-36.9177.5-68.9163.5000111K23 R32K23-I27 WeakPolarHBondContact O-CB 3.33Å; K23-I27 WeakPolarHBondContact O-CD1 3.38Å; K23-I27 VanDerWaalsContact O-CG1 3.23Å; K23-I27 WeakPolarHBondContact O-CG1 3.39Å; K23-I27 PolarHBondContact O-N 2.68Å; I27-R32 PolarHBondContact O-NH2 3.19Å
28R96.6Very high95.7Very high59 Ų5961.3 Ų61.322%0.22332%0.315CS..Hα-helixtrans-78.5-43.6-178.2176.761.2173.7108.52.9114.2Q24 C25 Q26 R32 E34 D40 R42Q24-R28 WeakPolarHBondContact O-CB 3.34Å; Q24-R28 PolarHBondContact O-N 2.97Å; C25-R28 PolarHBondContact O-N 2.94Å; Q26-R28 VanDerWaalsContact C-N 3.27Å; Q26-R28 PolarHBondContact O-N 2.87Å; R28-R32 VanDerWaalsContact O-CD 3.22Å; R28-R32 WeakPolarHBondContact O-CD 3.47Å; R28-R32 PolarHBondContact O-NE 2.88Å; R28-R32 PolarHBondContact O-NH1 2.79Å; R28-E34 IonicContact CZ-OE1 3.8Å; R28-E34 IonicContact CZ-OE2 2.65Å; R28-E34 IonicContact NH1-OE1 3.76Å; R28-E34 PolarHBondContact NH1-OE1 2.96Å; R28-E34 IonicContact NH1-OE2 2.81Å; R28-E34 PolarHBondContact NH1-OE2 3.43Å; R28-E34 IonicContact NH2-OE1 3.72Å; R28-E34 PolarHBondContact NH2-OE1 3.23Å; R28-E34 IonicContact NH2-OE2 3.67Å; R28-D40 IonicContact NE-OD2 2.8Å; R28-R42 VanDerWaalsContact CD-CZ 3.43Å; R28-R42 VanDerWaalsContact CG-CZ 3.49Å; R28-R42 VanDerWaalsContact NE-NH2 3.17Å
29F96.9Very high95.6Very high3 Ų366 Ų661%0.01335%0.348CS..Hα-helixtrans-124.7-20.2-167.3-58.5-75.1000114.3C25 G31 R32 E34 A36 D40 V43 I172C25-F29 PolarHBondContact O-N 3.48Å; F29-G31 PolarHBondContact O-N 3.08Å; F29-R32 WeakPolarHBondContact O-CB 3.29Å; F29-R32 PolarHBondContact O-N 3.19Å; F29-E34 HydrophobicContact CD1-CB 4.44Å; F29-E34 HydrophobicContact CD1-CG 4.26Å; F29-E34 HydrophobicContact CE1-CG 4.29Å; F29-A36 HydrophobicContact CD1-CB 4.07Å; F29-A36 HydrophobicContact CD2-CB 3.83Å; F29-A36 HydrophobicContact CE1-CB 4.09Å; F29-A36 HydrophobicContact CE2-CB 3.85Å; F29-A36 HydrophobicContact CG-CB 3.95Å; F29-A36 HydrophobicContact CZ-CB 3.98Å; F29-D40 HydrophobicContact CE2-CB 4.43Å; F29-D40 HydrophobicContact CZ-CB 3.98Å; F29-D40 WeakPolarHBondContact CZ-OD2 3.33Å; F29-V43 HydrophobicContact CE2-CG2 3.9Å; F29-V43 HydrophobicContact CZ-CG2 4.42Å; F29-I172 HydrophobicContact CB-CB 4.36Å; F29-I172 HydrophobicContact CB-CD1 4.33Å; F29-I172 HydrophobicContact CB-CG1 4.03Å; F29-I172 HydrophobicContact CB-CG2 3.62Å; F29-I172 HydrophobicContact CD2-CG2 4.49Å; F29-I172 HydrophobicContact CG-CG2 4.24Å
30G93.6Very high95.6Very high25 Ų2564.4 Ų64.426%0.25834%0.34SS..THydrogen-bonded Turntrans-58.9126.1-175.300000112.2Q26 R32Q26-G30 VanDerWaalsContact O-CA 3.29Å; Q26-G30 WeakPolarHBondContact O-CA 3.28Å; Q26-G30 PolarHBondContact O-N 3.37Å; G30-R32 PolarHBondContact O-N 3.49Å
31G85.9Confident95.5Very high76 Ų7664.7 Ų64.778%0.78435%0.349SS*.THydrogen-bonded Turntrans70.58.4-177.800000115.1F29 S171F29-G31 PolarHBondContact O-N 3.08Å; G31-S171 PolarHBondContact N-O 3.04Å
32R88.9Confident95.5Very high123 Ų12368.3 Ų68.346%0.46436%0.362SS..SBendtrans-100.2156.1175.8-49.4-168.5-167.1-167.87.7110.5I27 R28 F29 G30 E34I27-R32 PolarHBondContact O-NH2 3.19Å; R28-R32 VanDerWaalsContact O-CD 3.22Å; R28-R32 WeakPolarHBondContact O-CD 3.47Å; R28-R32 PolarHBondContact O-NE 2.88Å; R28-R32 PolarHBondContact O-NH1 2.79Å; F29-R32 WeakPolarHBondContact O-CB 3.29Å; F29-R32 PolarHBondContact O-N 3.19Å; G30-R32 PolarHBondContact O-N 3.49Å; R32-E34 HydrophobicContact CB-CB 4.29Å; R32-E34 PolarHBondContact O-N 2.96Å
33K89.9Confident95.5Very high212 Ų21268.1 Ų68.192%0.92236%0.36SS*.SBendtrans-85.120.1173.1-62.1-172.6177.5-175.40113.1
34E93.8Very high95.4Very high75 Ų7567.3 Ų67.335%0.3536%0.36SS..  trans-100.4133.8-174-173.5175.6-176.700109.4R28 F29 R32R28-E34 IonicContact CZ-OE1 3.8Å; R28-E34 IonicContact CZ-OE2 2.65Å; R28-E34 IonicContact NH1-OE1 3.76Å; R28-E34 PolarHBondContact NH1-OE1 2.96Å; R28-E34 IonicContact NH1-OE2 2.81Å; R28-E34 PolarHBondContact NH1-OE2 3.43Å; R28-E34 IonicContact NH2-OE1 3.72Å; R28-E34 PolarHBondContact NH2-OE1 3.23Å; R28-E34 IonicContact NH2-OE2 3.67Å; F29-E34 HydrophobicContact CD1-CB 4.44Å; F29-E34 HydrophobicContact CD1-CG 4.26Å; F29-E34 HydrophobicContact CE1-CG 4.29Å; R32-E34 HydrophobicContact CB-CB 4.29Å; R32-E34 PolarHBondContact O-N 2.96Å
35I95.6Very high95.4Very high95 Ų9566.2 Ų66.249%0.48736%0.36SS..  trans-85.7131.6-174.6-58.4175.7000109.7T37 L173 A175I35-T37 HydrophobicContact CG2-CG2 4.4Å; I35-L173 WeakPolarHBondContact CA-O 3.35Å; I35-A175 HydrophobicContact CG2-CB 3.36Å
36A97.4Very high95.5Very high0 Ų066.2 Ų66.20%036%0.36CS..EExtended strand (participates in β ladder)trans-88.8107.1177.500000110.7F29 V43 I172 L173 F174 A175F29-A36 HydrophobicContact CD1-CB 4.07Å; F29-A36 HydrophobicContact CD2-CB 3.83Å; F29-A36 HydrophobicContact CE1-CB 4.09Å; F29-A36 HydrophobicContact CE2-CB 3.85Å; F29-A36 HydrophobicContact CG-CB 3.95Å; F29-A36 HydrophobicContact CZ-CB 3.98Å; A36-V43 HydrophobicContact CB-CG2 3.89Å; A36-I172 HydrophobicContact CB-CG2 3.69Å; A36-L173 PolarHBondContact N-O 3.03Å; A36-F174 HydrophobicContact CB-CD1 3.55Å; A36-F174 HydrophobicContact CB-CE1 3.78Å; A36-F174 HydrophobicContact CB-CG 4.32Å; A36-F174 WeakPolarHBondContact O-CA 3.32Å; A36-A175 PolarHBondContact O-N 3.42Å
37T97.5Very high95.5Very high46 Ų4663.1 Ų63.128%0.28235%0.346SS..EExtended strand (participates in β ladder)trans-100.6166.6-177.350.30000112.6I35 S39 D40 V43I35-T37 HydrophobicContact CG2-CG2 4.4Å; T37-S39 PolarHBondContact O-N 3.39Å; T37-S39 PolarHBondContact OG1-OG 2.87Å; T37-D40 PolarHBondContact O-N 3.07Å; T37-V43 WeakPolarHBondContact O-CB 3.37Å; T37-V43 WeakPolarHBondContact O-CG2 3.45Å
38D94.3Very high95.6Very high63 Ų6359.7 Ų59.734%0.33734%0.335SS..THydrogen-bonded Turntrans-65.3-1317452.5-16.6000114.6I44 I176 N177D38-I44 VanDerWaalsContact O-CD1 3.32Å; D38-I44 WeakPolarHBondContact O-CD1 3.4Å; D38-I44 WeakPolarHBondContact O-CG1 3.46Å; D38-I176 HydrophobicContact CB-CG2 3.73Å; D38-N177 VanDerWaalsContact OD2-CB 3.27Å; D38-N177 WeakPolarHBondContact OD2-CB 3.47Å
39S95.4Very high95.6Very high98 Ų9858.4 Ų58.469%0.68533%0.332SS*.THydrogen-bonded Turntrans-77-16.2173.353.90000115T37T37-S39 PolarHBondContact O-N 3.39Å; T37-S39 PolarHBondContact OG1-OG 2.87Å
40D97.6Very high95.7Very high19 Ų1958.3 Ų58.310%0.10233%0.331CS..SBendtrans-87123.9177.4-168.8-64.6000111.1R28 F29 T37 R42 V43 I44R28-D40 IonicContact NE-OD2 2.8Å; F29-D40 HydrophobicContact CE2-CB 4.43Å; F29-D40 HydrophobicContact CZ-CB 3.98Å; F29-D40 WeakPolarHBondContact CZ-OD2 3.33Å; T37-D40 PolarHBondContact O-N 3.07Å; D40-R42 PolarHBondContact O-N 2.92Å; D40-R42 VanDerWaalsContact OD1-CB 3.29Å; D40-R42 WeakPolarHBondContact OD1-CB 3.46Å; D40-R42 IonicContact OD1-CZ 2.72Å; D40-R42 PolarHBondContact OD1-N 2.97Å; D40-R42 IonicContact OD1-NE 2.87Å; D40-R42 PolarHBondContact OD1-NE 2.86Å; D40-R42 IonicContact OD1-NH2 3.78Å; D40-R42 PolarHBondContact OD1-NH2 3.05Å; D40-R42 IonicContact OD2-CZ 3.44Å; D40-R42 IonicContact OD2-NE 2.93Å; D40-R42 PolarHBondContact OD2-NE 3.19Å; D40-R42 IonicContact OD2-NH2 3.57Å; D40-R42 PolarHBondContact OD2-NH2 3.31Å; D40-V43 HydrophobicContact CB-CG2 4.04Å; D40-V43 WeakPolarHBondContact O-CB 3.49Å; D40-V43 PolarHBondContact O-N 3.25Å; D40-I44 PolarHBondContact O-N 3.28Å; D40-I44 VanDerWaalsContact O-N 3.13Å
41S97.5Very high95.9Very high88 Ų8858 Ų5862%0.61532%0.323SS*.Hα-helixtrans-58.6-23.8-17659.60000114.4C45S41-C45 VanDerWaalsContact O-CB 3.25Å; S41-C45 WeakPolarHBondContact O-CB 3.47Å; S41-C45 PolarHBondContact O-N 2.94Å
42R97.9Very high96.4Very high79 Ų7956 Ų5630%0.29830%0.299SS..Hα-helixtrans-71-39.2173.2-66.9161.3-81.5-124.5-7.6111.8Q24 C25 R28 D40 C45 L46Q24-R42 HydrophobicContact CB-CG 4Å; Q24-R42 WeakPolarHBondContact O-CD 3.43Å; C25-R42 PolarHBondContact SG-O 3Å; R28-R42 VanDerWaalsContact CD-CZ 3.43Å; R28-R42 VanDerWaalsContact CG-CZ 3.49Å; R28-R42 VanDerWaalsContact NE-NH2 3.17Å; D40-R42 PolarHBondContact O-N 2.92Å; D40-R42 VanDerWaalsContact OD1-CB 3.29Å; D40-R42 WeakPolarHBondContact OD1-CB 3.46Å; D40-R42 IonicContact OD1-CZ 2.72Å; D40-R42 PolarHBondContact OD1-N 2.97Å; D40-R42 IonicContact OD1-NE 2.87Å; D40-R42 PolarHBondContact OD1-NE 2.86Å; D40-R42 IonicContact OD1-NH2 3.78Å; D40-R42 PolarHBondContact OD1-NH2 3.05Å; D40-R42 IonicContact OD2-CZ 3.44Å; D40-R42 IonicContact OD2-NE 2.93Å; D40-R42 PolarHBondContact OD2-NE 3.19Å; D40-R42 IonicContact OD2-NH2 3.57Å; D40-R42 PolarHBondContact OD2-NH2 3.31Å; R42-C45 PolarHBondContact O-N 3.07Å; R42-L46 VanDerWaalsContact O-CB 3.3Å; R42-L46 WeakPolarHBondContact O-CB 3.41Å; R42-L46 PolarHBondContact O-N 3.25Å
43V98.2Very high96.8Very high1 Ų150.2 Ų50.21%0.00628%0.277CS..Hα-helixtrans-69.6-41.1178.5-177.60000110.4F29 A36 T37 D40 L46 C47 F174 I176F29-V43 HydrophobicContact CE2-CG2 3.9Å; F29-V43 HydrophobicContact CZ-CG2 4.42Å; A36-V43 HydrophobicContact CB-CG2 3.89Å; T37-V43 WeakPolarHBondContact O-CB 3.37Å; T37-V43 WeakPolarHBondContact O-CG2 3.45Å; D40-V43 HydrophobicContact CB-CG2 4.04Å; D40-V43 WeakPolarHBondContact O-CB 3.49Å; D40-V43 PolarHBondContact O-N 3.25Å; V43-L46 PolarHBondContact O-N 3.1Å; V43-C47 PolarHBondContact O-N 3.23Å; V43-C47 PolarHBondContact O-SG 3Å; V43-F174 HydrophobicContact CG1-CD1 4.32Å; V43-F174 HydrophobicContact CG1-CE1 4.29Å; V43-F174 HydrophobicContact CG2-CE1 4.33Å; V43-I176 HydrophobicContact CG1-CD1 3.56Å; V43-I176 HydrophobicContact CG1-CG1 3.77Å
44I97.1Very high97.1Very high92 Ų9240.4 Ų40.447%0.47224%0.235SC..Hα-helixtrans-58.6-49.3170.8-56.8175000110.2D38 D40 L46 C47 A48D38-I44 VanDerWaalsContact O-CD1 3.32Å; D38-I44 WeakPolarHBondContact O-CD1 3.4Å; D38-I44 WeakPolarHBondContact O-CG1 3.46Å; D40-I44 PolarHBondContact O-N 3.28Å; D40-I44 VanDerWaalsContact O-N 3.13Å; I44-L46 PolarHBondContact O-N 3.37Å; I44-C47 PolarHBondContact O-N 3.14Å; I44-A48 WeakPolarHBondContact O-CB 3.32Å; I44-A48 PolarHBondContact O-N 2.77Å
45C98.3Very high97.1Very high52 Ų5240.1 Ų40.135%0.35123%0.234SC..Hα-helixtrans-61.8-44.2179.5-171.60000112.2S41 R42 C47 A48 Q49S41-C45 VanDerWaalsContact O-CB 3.25Å; S41-C45 WeakPolarHBondContact O-CB 3.47Å; S41-C45 PolarHBondContact O-N 2.94Å; R42-C45 PolarHBondContact O-N 3.07Å; C45-C47 PolarHBondContact O-N 3.43Å; C45-A48 PolarHBondContact O-N 2.88Å; C45-A48 VanDerWaalsContact O-N 3.14Å; C45-Q49 WeakPolarHBondContact O-CG 3.33Å; C45-Q49 PolarHBondContact O-N 3.06Å
46L98.6Very high97.1Very high0 Ų036.8 Ų36.80%022%0.216CC..Hα-helixtrans-56.9-49.2177.1-178.868.8000111.8A21 V22 C25 R42 V43 I44 A48 Q49 F50 L124 L169 F174A21-L46 HydrophobicContact CB-CD1 4.27Å; V22-L46 HydrophobicContact CB-CD1 4.45Å; V22-L46 HydrophobicContact CG2-CD1 3.67Å; C25-L46 HydrophobicContact CB-CD2 4.37Å; R42-L46 VanDerWaalsContact O-CB 3.3Å; R42-L46 WeakPolarHBondContact O-CB 3.41Å; R42-L46 PolarHBondContact O-N 3.25Å; V43-L46 PolarHBondContact O-N 3.1Å; I44-L46 PolarHBondContact O-N 3.37Å; L46-A48 VanDerWaalsContact C-N 3.31Å; L46-A48 PolarHBondContact O-N 3.49Å; L46-Q49 PolarHBondContact O-N 3.01Å; L46-F50 HydrophobicContact CD1-CD2 4.05Å; L46-F50 HydrophobicContact CD1-CE2 3.82Å; L46-F50 HydrophobicContact CG-CD2 4.17Å; L46-F50 HydrophobicContact CG-CE2 4.23Å; L46-F50 PolarHBondContact O-N 3.34Å; L46-F50 VanDerWaalsContact O-N 3.08Å; L46-L124 HydrophobicContact CD2-CD1 4.42Å; L46-L169 HydrophobicContact CD1-CD1 4.17Å; L46-L169 HydrophobicContact CD1-CD2 4.44Å; L46-L169 HydrophobicContact CD2-CD1 3.9Å; L46-L169 HydrophobicContact CD2-CD2 4.03Å; L46-F174 HydrophobicContact CD2-CE1 4.15Å; L46-F174 HydrophobicContact CD2-CZ 3.9Å
47C98.1Very high96.8Very high3 Ų337 Ų372%0.0222%0.218CC..Hα-helixtrans-58.6-44.8175-65.80000111.2V43 I44 C45 F50 E51 L120V43-C47 PolarHBondContact O-N 3.23Å; V43-C47 PolarHBondContact O-SG 3Å; I44-C47 PolarHBondContact O-N 3.14Å; C45-C47 PolarHBondContact O-N 3.43Å; C47-F50 PolarHBondContact O-N 3.26Å; C47-E51 VanDerWaalsContact O-CB 3.31Å; C47-E51 WeakPolarHBondContact O-CB 3.4Å; C47-E51 PolarHBondContact O-N 3.09Å; C47-L120 WeakPolarHBondContact O-CD2 3.27Å
48A97.6Very high96.6Very high45 Ų4536 Ų3637%0.37221%0.21SC..Hα-helixtrans-66.7-36.1-179.500000113.6I44 C45 L46 A52I44-A48 WeakPolarHBondContact O-CB 3.32Å; I44-A48 PolarHBondContact O-N 2.77Å; C45-A48 PolarHBondContact O-N 2.88Å; C45-A48 VanDerWaalsContact O-N 3.14Å; L46-A48 VanDerWaalsContact C-N 3.31Å; L46-A48 PolarHBondContact O-N 3.49Å; A48-A52 VanDerWaalsContact O-CB 3.31Å; A48-A52 WeakPolarHBondContact O-CB 3.33Å; A48-A52 PolarHBondContact O-N 2.77Å
49Q98.4Very high96.3Very high32 Ų3237.7 Ų37.715%0.1521%0.212CC..Hα-helixtrans-72.6-39.8176.2-60.5-41.1-51.700112.1R17 L18 A21 C45 L46 E51 A52 V53R17-Q49 HydrophobicContact CB-CG 4.16Å; R17-Q49 VanDerWaalsContact CB-OE1 3.29Å; R17-Q49 VanDerWaalsContact CD-OE1 3.31Å; L18-Q49 HydrophobicContact CB-CB 4.11Å; L18-Q49 HydrophobicContact CD1-CB 3.57Å; L18-Q49 HydrophobicContact CG-CB 4.45Å; A21-Q49 HydrophobicContact CB-CB 4.36Å; A21-Q49 HydrophobicContact CB-CG 3.85Å; C45-Q49 WeakPolarHBondContact O-CG 3.33Å; C45-Q49 PolarHBondContact O-N 3.06Å; L46-Q49 PolarHBondContact O-N 3.01Å; Q49-E51 VanDerWaalsContact C-N 3.34Å; Q49-A52 PolarHBondContact O-N 2.88Å; Q49-V53 WeakPolarHBondContact O-CB 3.39Å; Q49-V53 WeakPolarHBondContact O-CG2 3.42Å; Q49-V53 PolarHBondContact O-N 3.14Å
50F98.3Very high95.4Very high1 Ų140.8 Ų40.80%0.00421%0.213CC..Hα-helixtrans-63.1-43.2173.6-90.9-64.3000110.9L18 L46 C47 V53 L54 L120 L129 L133 A166 L169L18-F50 HydrophobicContact CD1-CB 4.32Å; L18-F50 HydrophobicContact CD1-CD1 3.95Å; L18-F50 HydrophobicContact CD1-CD2 3.74Å; L18-F50 HydrophobicContact CD1-CE1 4.19Å; L18-F50 HydrophobicContact CD1-CE2 3.99Å; L18-F50 HydrophobicContact CD1-CG 3.71Å; L18-F50 HydrophobicContact CD1-CZ 4.2Å; L18-F50 HydrophobicContact CD2-CD1 3.88Å; L18-F50 HydrophobicContact CD2-CE1 3.83Å; L18-F50 HydrophobicContact CD2-CG 4.48Å; L18-F50 HydrophobicContact CD2-CZ 4.4Å; L46-F50 HydrophobicContact CD1-CD2 4.05Å; L46-F50 HydrophobicContact CD1-CE2 3.82Å; L46-F50 HydrophobicContact CG-CD2 4.17Å; L46-F50 HydrophobicContact CG-CE2 4.23Å; L46-F50 PolarHBondContact O-N 3.34Å; L46-F50 VanDerWaalsContact O-N 3.08Å; C47-F50 PolarHBondContact O-N 3.26Å; F50-V53 PolarHBondContact O-N 2.9Å; F50-L54 WeakPolarHBondContact O-CB 3.31Å; F50-L54 VanDerWaalsContact O-CG 3.29Å; F50-L54 WeakPolarHBondContact O-CG 3.34Å; F50-L54 PolarHBondContact O-N 3.1Å; F50-L120 HydrophobicContact CB-CD1 3.93Å; F50-L120 HydrophobicContact CB-CD2 3.78Å; F50-L120 HydrophobicContact CB-CG 4.47Å; F50-L120 HydrophobicContact CG-CD1 4.27Å; F50-L129 HydrophobicContact CD1-CD2 4.46Å; F50-L129 HydrophobicContact CD2-CD2 4.22Å; F50-L129 HydrophobicContact CE1-CD2 4.13Å; F50-L129 HydrophobicContact CE2-CD2 3.86Å; F50-L129 HydrophobicContact CZ-CD2 3.82Å; F50-L133 HydrophobicContact CE1-CD1 4Å; F50-A166 HydrophobicContact CZ-CB 4.4Å; F50-L169 HydrophobicContact CE2-CD1 3.81Å; F50-L169 HydrophobicContact CZ-CD1 4.25Å
51E96.8Very high93.7Very high19 Ų1942.6 Ų42.69%0.08923%0.228CC..Hα-helixtrans-58.6-47.9173.6178.9176.8156.800111.9C47 Q49 V53 L54 Q55 F87 R117 L120C47-E51 VanDerWaalsContact O-CB 3.31Å; C47-E51 WeakPolarHBondContact O-CB 3.4Å; C47-E51 PolarHBondContact O-N 3.09Å; Q49-E51 VanDerWaalsContact C-N 3.34Å; E51-V53 VanDerWaalsContact C-N 3.33Å; E51-V53 PolarHBondContact O-N 3.45Å; E51-L54 PolarHBondContact O-N 2.89Å; E51-Q55 HydrophobicContact CG-CG 4.36Å; E51-Q55 WeakPolarHBondContact O-CB 3.44Å; E51-Q55 WeakPolarHBondContact O-CG 3.4Å; E51-Q55 PolarHBondContact O-N 3.27Å; E51-Q55 PolarHBondContact OE1-NE2 3.46Å; E51-F87 HydrophobicContact CG-CE1 4.1Å; E51-R117 IonicContact OE1-CZ 3.47Å; E51-R117 VanDerWaalsContact OE1-CZ 3.26Å; E51-R117 IonicContact OE1-NE 2.81Å; E51-R117 PolarHBondContact OE1-NE 2.69Å; E51-R117 IonicContact OE1-NH2 2.92Å; E51-R117 PolarHBondContact OE1-NH2 3.48Å; E51-R117 VanDerWaalsContact OE2-CG 3.25Å; E51-R117 WeakPolarHBondContact OE2-CG 3.36Å; E51-R117 IonicContact OE2-CZ 3.77Å; E51-R117 IonicContact OE2-NE 3.18Å; E51-R117 PolarHBondContact OE2-NE 3.47Å; E51-R117 IonicContact OE2-NH2 2.81Å; E51-L120 HydrophobicContact CB-CD2 4.47Å
52A96.6Very high91.4Very high34 Ų3445.6 Ų45.628%0.28123%0.229SC..Hα-helixtrans-62.4-38.4179.300000112.7L14 A48 Q49 H56L14-A52 HydrophobicContact CD2-CB 3.98Å; A48-A52 VanDerWaalsContact O-CB 3.31Å; A48-A52 WeakPolarHBondContact O-CB 3.33Å; A48-A52 PolarHBondContact O-N 2.77Å; Q49-A52 PolarHBondContact O-N 2.88Å; A52-H56 WeakPolarHBondContact O-CB 3.46Å; A52-H56 PolarHBondContact O-N 3.42Å
53V97.9Very high88.9Confident0 Ų044.1 Ų44.10%024%0.239CC..Hα-helixtrans-65.2-46.8173.2161.50000111.5L14 L18 Q49 F50 E51 Q55 H56 F152 L162L14-V53 HydrophobicContact CB-CG2 4.03Å; L14-V53 HydrophobicContact CD2-CG2 4.49Å; L18-V53 HydrophobicContact CB-CG2 4.44Å; L18-V53 HydrophobicContact CD2-CG2 4.08Å; Q49-V53 WeakPolarHBondContact O-CB 3.39Å; Q49-V53 WeakPolarHBondContact O-CG2 3.42Å; Q49-V53 PolarHBondContact O-N 3.14Å; F50-V53 PolarHBondContact O-N 2.9Å; E51-V53 VanDerWaalsContact C-N 3.33Å; E51-V53 PolarHBondContact O-N 3.45Å; V53-Q55 VanDerWaalsContact C-N 3.28Å; V53-Q55 PolarHBondContact O-N 3.22Å; V53-H56 PolarHBondContact O-N 3.44Å; V53-F152 HydrophobicContact CG1-CB 4.45Å; V53-F152 HydrophobicContact CG1-CD1 3.64Å; V53-F152 HydrophobicContact CG1-CD2 4.42Å; V53-F152 HydrophobicContact CG1-CE1 3.94Å; V53-F152 HydrophobicContact CG1-CG 3.92Å; V53-F152 HydrophobicContact CG1-CZ 4.43Å; V53-F152 HydrophobicContact CG2-CD2 4.33Å; V53-F152 HydrophobicContact CG2-CE2 4.31Å; V53-L162 HydrophobicContact CG1-CD1 3.74Å; V53-L162 HydrophobicContact CG1-CD2 3.93Å
54L96Very high86.2Confident7 Ų750.5 Ų50.54%0.03727%0.272CS..Hα-helixtrans-70.5-22.4-180-69.6172.4000112.9F50 E51 F87 W119 L133 Y147 V153F50-L54 WeakPolarHBondContact O-CB 3.31Å; F50-L54 VanDerWaalsContact O-CG 3.29Å; F50-L54 WeakPolarHBondContact O-CG 3.34Å; F50-L54 PolarHBondContact O-N 3.1Å; E51-L54 PolarHBondContact O-N 2.89Å; L54-F87 HydrophobicContact CB-CB 3.93Å; L54-F87 HydrophobicContact CB-CD1 4.38Å; L54-F87 HydrophobicContact CB-CD2 4Å; L54-F87 HydrophobicContact CB-CG 3.85Å; L54-F87 HydrophobicContact CD1-CD2 3.87Å; L54-F87 HydrophobicContact CD1-CE2 3.95Å; L54-F87 WeakPolarHBondContact O-CB 3.5Å; L54-W119 HydrophobicContact CD1-CZ3 4.14Å; L54-L133 HydrophobicContact CD2-CD2 4.29Å; L54-Y147 VanDerWaalsContact O-CE1 3.24Å; L54-Y147 WeakPolarHBondContact O-CE1 3.27Å; L54-Y147 PolarHBondContact O-OH 3.5Å; L54-V153 HydrophobicContact CD2-CG1 4.35Å
55Q94.5Very high83.8Confident69 Ų6949.4 Ų49.432%0.32228%0.277SS..Hα-helixtrans-87-19.9172.2-70.6174.910.300113.8E51 V53 G57 L58 F87E51-Q55 HydrophobicContact CG-CG 4.36Å; E51-Q55 WeakPolarHBondContact O-CB 3.44Å; E51-Q55 WeakPolarHBondContact O-CG 3.4Å; E51-Q55 PolarHBondContact O-N 3.27Å; E51-Q55 PolarHBondContact OE1-NE2 3.46Å; V53-Q55 VanDerWaalsContact C-N 3.28Å; V53-Q55 PolarHBondContact O-N 3.22Å; Q55-G57 PolarHBondContact O-N 3.17Å; Q55-L58 HydrophobicContact CB-CD1 4.19Å; Q55-L58 HydrophobicContact CG-CD1 4.14Å; Q55-L58 PolarHBondContact O-N 2.87Å; Q55-L58 VanDerWaalsContact O-N 3.13Å; Q55-F87 HydrophobicContact CG-CD1 3.93Å
56H95Very high81.2Confident25 Ų2555 Ų5512%0.11630%0.302CS..THydrogen-bonded Turntrans-67.2108.2-172.2-177.8-98.3000113L14 A52 V53 W150 A151 F152L14-H56 HydrophobicContact CD1-CB 3.5Å; L14-H56 WeakPolarHBondContact CD1-CD2 3.45Å; A52-H56 WeakPolarHBondContact O-CB 3.46Å; A52-H56 PolarHBondContact O-N 3.42Å; V53-H56 PolarHBondContact O-N 3.44Å; H56-W150 AromaticContact CE1-CE3 3.74Å; H56-W150 AromaticContact CE1-CZ3 3.84Å; H56-W150 PolarHBondContact CE1-O 2.83Å; H56-W150 AromaticContact NE2-CE3 3.87Å; H56-W150 AromaticContact NE2-CZ3 3.58Å; H56-A151 VanDerWaalsContact O-CA 3.23Å; H56-A151 WeakPolarHBondContact O-CA 3.27Å; H56-A151 VanDerWaalsContact O-CB 3.26Å; H56-A151 WeakPolarHBondContact O-CB 3.14Å; H56-F152 HydrophobicContact CB-CB 4.07Å; H56-F152 PolarHBondContact ND1-N 2.91Å; H56-F152 VanDerWaalsContact ND1-N 3.19Å; H56-F152 PolarHBondContact O-N 3.11Å
57G92.3Very high78.9Confident3 Ų358.5 Ų58.53%0.03132%0.324CS..THydrogen-bonded Turntrans82.819.2-179.800000114.5Q55 R59 Y147 E148Q55-G57 PolarHBondContact O-N 3.17Å; G57-R59 PolarHBondContact O-N 2.92Å; G57-Y147 CarbonylContact O-C 3.56Å; G57-Y147 WeakPolarHBondContact O-CA 3.31Å; G57-E148 PolarHBondContact O-N 3.34Å
58L91.4Very high76.3Confident25 Ų2560.2 Ų60.213%0.13134%0.339CS..BIsolated β-bridgetrans-51.3136.8158.8-77.4169.4000109.4Q55 L85 F87 Y147Q55-L58 HydrophobicContact CB-CD1 4.19Å; Q55-L58 HydrophobicContact CG-CD1 4.14Å; Q55-L58 PolarHBondContact O-N 2.87Å; Q55-L58 VanDerWaalsContact O-N 3.13Å; L58-L85 WeakPolarHBondContact CD1-O 3.42Å; L58-F87 HydrophobicContact CD1-CB 4.26Å; L58-Y147 HydrophobicContact CD2-CD1 3.96Å; L58-Y147 HydrophobicContact CD2-CD2 4.31Å; L58-Y147 HydrophobicContact CD2-CE1 3.46Å; L58-Y147 VanDerWaalsContact CD2-CE1 3.46Å; L58-Y147 HydrophobicContact CD2-CE2 3.83Å; L58-Y147 HydrophobicContact CD2-CG 4.36Å; L58-Y147 HydrophobicContact CG-CD1 4.14Å; L58-Y147 HydrophobicContact CG-CE1 3.61Å
59R88.8Confident74Confident100 Ų10061.7 Ų61.738%0.37735%0.35SS..PPolyproline II helixtrans-64.8145175.9-58178.399.3-177.98.7108.3G57 L85 T145 F146 Y147 E148G57-R59 PolarHBondContact O-N 2.92Å; R59-L85 HydrophobicContact CB-CD1 4.35Å; R59-L85 WeakPolarHBondContact O-CB 3.27Å; R59-L85 VanDerWaalsContact O-CD1 3.27Å; R59-L85 WeakPolarHBondContact O-CD1 3.46Å; R59-T145 WeakPolarHBondContact CD-O 3.49Å; R59-T145 PolarHBondContact NH1-O 2.87Å; R59-T145 VanDerWaalsContact NH1-O 3.12Å; R59-F146 WeakPolarHBondContact CG-O 3.35Å; R59-F146 PolarHBondContact N-O 2.82Å; R59-Y147 VanDerWaalsContact CG-C 3.4Å; R59-E148 HydrophobicContact CB-CG 4.35Å; R59-E148 HydrophobicContact CG-CG 3.77Å; R59-E148 WeakPolarHBondContact CG-OE2 3.29Å; R59-E148 IonicContact CZ-OE2 2.69Å; R59-E148 IonicContact NE-OE2 3.7Å; R59-E148 PolarHBondContact NE-OE2 2.82Å; R59-E148 IonicContact NH2-OE2 3.49Å
60K77.2Confident71.4Confident162 Ų16263.5 Ų63.570%0.70437%0.371SS*.PPolyproline II helixtrans-82.6147162.1-61.2-162.8173.4-156.50108.5K62K60-K62 PolarHBondContact O-N 3.24Å
61S60.4Low68.8Low58 Ų5869 Ų6941%0.40640%0.4SS..  trans-67.796.9176.4-171.50000110.1G63S61-G63 PolarHBondContact O-N 3.37Å
62K49.7Very low66.5Low150 Ų15074.5 Ų74.565%0.65242%0.423SS*.  trans-81.70.2175.3-65.2171.1-168.7165.20112.3K60 E148K60-K62 PolarHBondContact O-N 3.24Å; K62-E148 WeakPolarHBondContact CE-OE1 3.47Å; K62-E148 IonicContact NZ-OE1 3.5Å; K62-E148 PolarHBondContact NZ-OE1 2.84Å; K62-E148 IonicContact NZ-OE2 3.09Å
63G46Very low64.3Low48 Ų4882 Ų8250%0.49545%0.453SS..SBendtrans-85.7138.7174.700000111.7S61S61-G63 PolarHBondContact O-N 3.37Å
64L41.9Very low61.8Low136 Ų13686.2 Ų86.271%0.71249%0.488SS*.SBendtrans82.1-8.5-179.5-56.5172.5000118.4L66 T67 A68L64-L66 VanDerWaalsContact C-N 3.28Å; L64-L66 PolarHBondContact O-N 3.23Å; L64-T67 PolarHBondContact O-N 2.92Å; L64-T67 PolarHBondContact O-OG1 2.66Å; L64-A68 WeakPolarHBondContact O-CB 3.43Å; L64-A68 PolarHBondContact O-N 3.44Å
65A46.2Very low59.5Low69 Ų6988.5 Ų88.557%0.5751%0.508SS*.Hα-helixtrans-58.6-37.3177.700000113.6A69A65-A69 PolarHBondContact O-N 2.93Å
66L44.8Very low57.1Low168 Ų16889.5 Ų89.588%0.8854%0.536SS*.Hα-helixtrans-72.2-31.8-179.3-62.7176000113.4L64L64-L66 VanDerWaalsContact C-N 3.28Å; L64-L66 PolarHBondContact O-N 3.23Å
67T48.9Very low54.3Low75 Ų7597.1 Ų97.146%0.4657%0.569SS.*Hα-helixtrans-86.4-29.3173.331.50000112.7L64 A69 A70 L71L64-T67 PolarHBondContact O-N 2.92Å; L64-T67 PolarHBondContact O-OG1 2.66Å; T67-A69 VanDerWaalsContact C-N 3.29Å; T67-A69 PolarHBondContact O-N 3.19Å; T67-A70 PolarHBondContact O-N 3.48Å; T67-A70 VanDerWaalsContact O-N 3.15Å; T67-L71 PolarHBondContact O-N 2.86Å
68A44.3Very low51.7Low39 Ų39101.9 Ų101.932%0.32260%0.602SS.*Hα-helixtrans-64.2-32.4176.600000112.6L64 A70 K72L64-A68 WeakPolarHBondContact O-CB 3.43Å; L64-A68 PolarHBondContact O-N 3.44Å; A68-A70 VanDerWaalsContact C-N 3.34Å; A68-K72 WeakPolarHBondContact O-CB 3.3Å; A68-K72 WeakPolarHBondContact O-CG 3.47Å; A68-K72 PolarHBondContact O-N 3.33Å; A68-K72 VanDerWaalsContact O-N 3.09Å
69A48.3Very low49Very low75 Ų75104.5 Ų104.562%0.6262%0.622SS**Hα-helixtrans-62.8-39.5172.600000112.4A65 T67A65-A69 PolarHBondContact O-N 2.93Å; T67-A69 VanDerWaalsContact C-N 3.29Å; T67-A69 PolarHBondContact O-N 3.19Å
70A44.9Very low46.6Very low70 Ų70108.9 Ų108.958%0.57964%0.644SS**Hα-helixtrans-75.7-44.8178.100000112.7T67 A68 K72T67-A70 PolarHBondContact O-N 3.48Å; T67-A70 VanDerWaalsContact O-N 3.15Å; A68-A70 VanDerWaalsContact C-N 3.34Å; A70-K72 VanDerWaalsContact C-N 3.33Å; A70-K72 PolarHBondContact O-N 3.38Å
71L43.8Very low44.8Very low116 Ų116107.2 Ų107.261%0.60765%0.648SS**Hα-helixtrans-70.1-26.7-178.9-93.169.2000113.3T67 Q73 A74 A75T67-L71 PolarHBondContact O-N 2.86Å; L71-Q73 PolarHBondContact O-N 3.5Å; L71-Q73 VanDerWaalsContact O-N 3.12Å; L71-A74 PolarHBondContact O-N 2.88Å; L71-A75 PolarHBondContact O-N 2.91Å
72K48.1Very low44Very low135 Ų135112 Ų11259%0.58766%0.664SS**THydrogen-bonded Turntrans-64.7-12.2-178.6-88.6-179.1173.6-171.10115.4A68 A70 S79A68-K72 WeakPolarHBondContact O-CB 3.3Å; A68-K72 WeakPolarHBondContact O-CG 3.47Å; A68-K72 PolarHBondContact O-N 3.33Å; A68-K72 VanDerWaalsContact O-N 3.09Å; A70-K72 VanDerWaalsContact C-N 3.33Å; A70-K72 PolarHBondContact O-N 3.38Å; K72-S79 PolarHBondContact NZ-OG 3.46Å
73Q49.3Very low44.1Very low192 Ų192107.5 Ų107.590%0.89766%0.655SS**THydrogen-bonded Turntrans-96.9-12.5170.8-71.3-164.7-25.500114.1L71L71-Q73 PolarHBondContact O-N 3.5Å; L71-Q73 VanDerWaalsContact O-N 3.12Å
74A45.5Very low45Very low89 Ų89112.6 Ų112.674%0.73667%0.666SS**THydrogen-bonded Turntrans-104.2-20.9-173.800000114.4L71L71-A74 PolarHBondContact O-N 2.88Å
75A48.8Very low46.8Very low55 Ų55108.6 Ų108.646%0.45565%0.645SS.*  trans-141.1125.7179.500000111.8L71 F77L71-A75 PolarHBondContact O-N 2.91Å; A75-F77 HydrophobicContact CB-CD2 4.34Å; A75-F77 PolarHBondContact O-N 3.46Å
76G44.4Very low48.9Very low89 Ų89105.8 Ų105.892%0.91862%0.62SS**  trans-71.528.4-178.400000115.8S78G76-S78 PolarHBondContact O-N 3.46Å
77F36.4Very low51.1Low186 Ų18697.8 Ų97.882%0.81658%0.579SS**  trans-78.3113.7179.2-88.5-93.2000111.2A75 S79A75-F77 HydrophobicContact CB-CD2 4.34Å; A75-F77 PolarHBondContact O-N 3.46Å; F77-S79 PolarHBondContact O-N 3.27Å
78S37.6Very low53.2Low102 Ų10294.2 Ų94.271%0.71356%0.557SS**  trans-57.6118.7172.4-174.10000110.4G76 K80G76-S78 PolarHBondContact O-N 3.46Å; S78-K80 PolarHBondContact O-N 2.89Å
79S34.5Very low55.4Low81 Ų8193.8 Ų93.857%0.56655%0.549SS*.  trans-73.687.8-174.656.40000111.7K72 F77K72-S79 PolarHBondContact NZ-OG 3.46Å; F77-S79 PolarHBondContact O-N 3.27Å
80K37.3Very low57.3Low191 Ų19190.4 Ų90.483%0.8352%0.52SS*.  trans-90.7-2.6173.4-80.9-169.4173.5-177.60115S78S78-K80 PolarHBondContact O-N 2.89Å
81T40Very low59.6Low128 Ų12887.2 Ų87.279%0.78549%0.494SS*.  trans-119.452.2-173.7-350000112.3A83T81-A83 VanDerWaalsContact C-N 3.31Å; T81-A83 PolarHBondContact O-N 3.07Å; T81-A83 VanDerWaalsContact O-N 3.16Å
82E43.6Very low61.9Low157 Ų15784 Ų8473%0.73448%0.475SS*.  trans-69.8100.5147.7-174.6170.217900105.9E84E82-E84 VanDerWaalsContact C-N 3.32Å; E82-E84 PolarHBondContact O-N 3.05Å
83A51.9Low63.9Low57 Ų5783.2 Ų83.247%0.47147%0.473SS..  trans-7090.6-177.800000109.4T81 L85T81-A83 VanDerWaalsContact C-N 3.31Å; T81-A83 PolarHBondContact O-N 3.07Å; T81-A83 VanDerWaalsContact O-N 3.16Å; A83-L85 PolarHBondContact O-N 2.87Å
84E64.3Low65.7Low155 Ų15575.9 Ų75.972%0.72444%0.439SS*.  trans-59.5111.7177.6-173.5165.8-141.100109.4E82 T86E82-E84 VanDerWaalsContact C-N 3.32Å; E82-E84 PolarHBondContact O-N 3.05Å; E84-T86 PolarHBondContact O-N 3.31Å
85L80.5Confident67.9Low51 Ų5172.4 Ų72.427%0.26741%0.408SS..  trans-71115.5-179.5-66.7178.2000108.1L58 R59 A83 L89L58-L85 WeakPolarHBondContact CD1-O 3.42Å; R59-L85 HydrophobicContact CB-CD1 4.35Å; R59-L85 WeakPolarHBondContact O-CB 3.27Å; R59-L85 VanDerWaalsContact O-CD1 3.27Å; R59-L85 WeakPolarHBondContact O-CD1 3.46Å; A83-L85 PolarHBondContact O-N 2.87Å; L85-L89 HydrophobicContact CB-CD1 4.33Å; L85-L89 HydrophobicContact CD2-CD1 3.42Å; L85-L89 VanDerWaalsContact CD2-CD1 3.42Å; L85-L89 HydrophobicContact CG-CD1 4.48Å
86T89.1Confident70Confident10 Ų1073.2 Ų73.26%0.06140%0.404CS..  trans-109.1154.3-177.950.80000110.3E84 W88 L89 L113E84-T86 PolarHBondContact O-N 3.31Å; T86-W88 PolarHBondContact O-N 2.92Å; T86-W88 VanDerWaalsContact O-N 3.11Å; T86-L89 WeakPolarHBondContact O-CB 3.42Å; T86-L89 WeakPolarHBondContact O-CG 3.47Å; T86-L89 PolarHBondContact O-N 3.13Å; T86-L113 HydrophobicContact CG2-CB 3.92Å; T86-L113 HydrophobicContact CG2-CD1 4.31Å
87F91.9Very high72.4Confident1 Ų178.4 Ų78.40%0.00440%0.397CS..THydrogen-bonded Turntrans-60.5-23.9179.472-86.8000113E51 L54 Q55 L58 L89 N90 V91 L113 G116 W119E51-F87 HydrophobicContact CG-CE1 4.1Å; L54-F87 HydrophobicContact CB-CB 3.93Å; L54-F87 HydrophobicContact CB-CD1 4.38Å; L54-F87 HydrophobicContact CB-CD2 4Å; L54-F87 HydrophobicContact CB-CG 3.85Å; L54-F87 HydrophobicContact CD1-CD2 3.87Å; L54-F87 HydrophobicContact CD1-CE2 3.95Å; L54-F87 WeakPolarHBondContact O-CB 3.5Å; Q55-F87 HydrophobicContact CG-CD1 3.93Å; L58-F87 HydrophobicContact CD1-CB 4.26Å; F87-L89 PolarHBondContact O-N 2.79Å; F87-N90 PolarHBondContact O-N 3.43Å; F87-V91 HydrophobicContact CD2-CG2 4.04Å; F87-V91 PolarHBondContact O-N 3.18Å; F87-V91 VanDerWaalsContact O-N 3.14Å; F87-L113 HydrophobicContact CE1-CD1 4.47Å; F87-G116 WeakPolarHBondContact CZ-O 3.4Å; F87-W119 AromaticContact CE2-CE3 3.98Å; F87-W119 HydrophobicContact CE2-CE3 3.98Å; F87-W119 HydrophobicContact CE2-CZ3 4Å
88W93.7Very high75.1Confident0 Ų076.4 Ų76.40%039%0.389CS..Hα-helixtrans-51.3-35.1170.4176.5-116.3000113.2T86 N90 V91 K92 L95 L100 F103 Y104 E112 R115 W119T86-W88 PolarHBondContact O-N 2.92Å; T86-W88 VanDerWaalsContact O-N 3.11Å; W88-N90 PolarHBondContact O-N 2.7Å; W88-V91 HydrophobicContact CE3-CB 4.14Å; W88-V91 HydrophobicContact CE3-CG1 3.87Å; W88-V91 HydrophobicContact CZ3-CG1 3.87Å; W88-V91 PolarHBondContact O-N 2.86Å; W88-K92 HydrophobicContact CD2-CB 4.22Å; W88-K92 HydrophobicContact CH2-CB 4.26Å; W88-K92 HydrophobicContact CZ2-CB 3.92Å; W88-K92 WeakPolarHBondContact O-CB 3.4Å; W88-K92 WeakPolarHBondContact O-CG 3.18Å; W88-K92 PolarHBondContact O-N 3.03Å; W88-L95 HydrophobicContact CH2-CD1 3.5Å; W88-L95 VanDerWaalsContact CH2-CD1 3.5Å; W88-L95 HydrophobicContact CZ3-CD1 3.61Å; W88-L100 HydrophobicContact CH2-CD1 4.34Å; W88-L100 HydrophobicContact CZ2-CD1 4.02Å; W88-F103 HydrophobicContact CH2-CB 3.7Å; W88-F103 AromaticContact CH2-CD2 3.77Å; W88-F103 HydrophobicContact CH2-CD2 3.77Å; W88-F103 AromaticContact CH2-CG 3.85Å; W88-F103 HydrophobicContact CH2-CG 3.85Å; W88-F103 HydrophobicContact CZ2-CB 4.15Å; W88-F103 HydrophobicContact CZ3-CD2 4.24Å; W88-F103 HydrophobicContact CZ3-CG 4.38Å; W88-Y104 HydrophobicContact CZ2-CE2 4.1Å; W88-Y104 PolarHBondContact NE1-OH 3.29Å; W88-E112 WeakPolarHBondContact CB-O 3.48Å; W88-E112 VanDerWaalsContact CD1-CD 3.44Å; W88-E112 PolarHBondContact NE1-OE1 2.94Å; W88-E112 PolarHBondContact NE1-OE2 3.22Å; W88-R115 HydrophobicContact CD2-CB 3.65Å; W88-R115 VanDerWaalsContact CE2-CB 3.41Å; W88-R115 HydrophobicContact CE3-CB 4.15Å; W88-R115 HydrophobicContact CG-CB 4.07Å; W88-R115 HydrophobicContact CH2-CB 4.21Å; W88-R115 HydrophobicContact CZ2-CB 3.73Å; W88-R115 HydrophobicContact CZ2-CG 4.41Å; W88-R115 HydrophobicContact CZ3-CB 4.41Å; W88-W119 HydrophobicContact CE3-CB 4.24Å; W88-W119 HydrophobicContact CZ3-CB 3.78Å; W88-W119 HydrophobicContact CZ3-CG 4.18Å
89L89.9Confident77.8Confident30 Ų3073.8 Ų73.816%0.15737%0.366CS..Hα-helixtrans-65.9-24.8179.6-57.9178.6000113.3L85 T86 F87 K92 E93 F146L85-L89 HydrophobicContact CB-CD1 4.33Å; L85-L89 HydrophobicContact CD2-CD1 3.42Å; L85-L89 VanDerWaalsContact CD2-CD1 3.42Å; L85-L89 HydrophobicContact CG-CD1 4.48Å; T86-L89 WeakPolarHBondContact O-CB 3.42Å; T86-L89 WeakPolarHBondContact O-CG 3.47Å; T86-L89 PolarHBondContact O-N 3.13Å; F87-L89 PolarHBondContact O-N 2.79Å; L89-K92 HydrophobicContact CD2-CD 4.39Å; L89-E93 WeakPolarHBondContact O-CG 3.45Å; L89-F146 HydrophobicContact CB-CD1 4.22Å; L89-F146 HydrophobicContact CB-CE1 3.92Å; L89-F146 WeakPolarHBondContact O-CZ 3.31Å
90N88.7Confident80.6Confident4 Ų472.5 Ų72.52%0.02135%0.352CS..Hα-helixtrans-90.3-30.8173.2177.246.1000112F87 W88 Q94 L136 L143 F146 Y147F87-N90 PolarHBondContact O-N 3.43Å; W88-N90 PolarHBondContact O-N 2.7Å; N90-Q94 PolarHBondContact O-NE2 3.46Å; N90-L136 VanDerWaalsContact ND2-CD2 3.27Å; N90-L136 WeakPolarHBondContact ND2-CD2 3.31Å; N90-L143 WeakPolarHBondContact ND2-CD1 3.36Å; N90-F146 HydrophobicContact CB-CD2 3.95Å; N90-F146 HydrophobicContact CB-CE2 4.35Å; N90-F146 HydrophobicContact CB-CG 4.2Å; N90-Y147 HydrophobicContact CB-CE2 4.34Å
91V92.8Very high83.4Confident3 Ų368.6 Ų68.62%0.01834%0.337CS..Hα-helixtrans-67.3-48.6175.6168.70000111.5F87 W88 E93 Q94 L95 W119 L136F87-V91 HydrophobicContact CD2-CG2 4.04Å; F87-V91 PolarHBondContact O-N 3.18Å; F87-V91 VanDerWaalsContact O-N 3.14Å; W88-V91 HydrophobicContact CE3-CB 4.14Å; W88-V91 HydrophobicContact CE3-CG1 3.87Å; W88-V91 HydrophobicContact CZ3-CG1 3.87Å; W88-V91 PolarHBondContact O-N 2.86Å; V91-E93 VanDerWaalsContact C-N 3.26Å; V91-E93 PolarHBondContact O-N 2.8Å; V91-Q94 WeakPolarHBondContact O-CB 3.28Å; V91-Q94 PolarHBondContact O-N 3.46Å; V91-L95 HydrophobicContact CG1-CD1 4.24Å; V91-L95 HydrophobicContact CG1-CD2 4.48Å; V91-L95 HydrophobicContact CG1-CG 4.28Å; V91-W119 HydrophobicContact CG1-CD2 3.51Å; V91-W119 VanDerWaalsContact CG1-CE2 3.45Å; V91-W119 HydrophobicContact CG1-CE3 4.08Å; V91-W119 HydrophobicContact CG1-CG 3.72Å; V91-W119 HydrophobicContact CG1-CZ2 3.99Å; V91-W119 HydrophobicContact CG2-CD2 4.23Å; V91-W119 HydrophobicContact CG2-CE3 3.96Å; V91-W119 HydrophobicContact CG2-CH2 3.91Å; V91-W119 HydrophobicContact CG2-CZ2 4.15Å; V91-W119 HydrophobicContact CG2-CZ3 3.81Å; V91-L136 HydrophobicContact CG2-CD1 4.45Å; V91-L136 HydrophobicContact CG2-CD2 4.13Å
92K91.9Very high86Confident47 Ų4767.5 Ų67.520%0.20432%0.318CS..G310 helixtrans-65.8-26.6-168.673.8-174-172.8175.20114.3W88 L89 Q94 L95 L100 E112W88-K92 HydrophobicContact CD2-CB 4.22Å; W88-K92 HydrophobicContact CH2-CB 4.26Å; W88-K92 HydrophobicContact CZ2-CB 3.92Å; W88-K92 WeakPolarHBondContact O-CB 3.4Å; W88-K92 WeakPolarHBondContact O-CG 3.18Å; W88-K92 PolarHBondContact O-N 3.03Å; L89-K92 HydrophobicContact CD2-CD 4.39Å; K92-Q94 PolarHBondContact O-N 2.81Å; K92-L95 PolarHBondContact O-N 2.97Å; K92-L100 HydrophobicContact CB-CD1 3.76Å; K92-E112 IonicContact NZ-OE2 2.7Å; K92-E112 PolarHBondContact NZ-OE2 3Å
93E88.9Confident88.5Confident119 Ų11960.2 Ų60.256%0.55628%0.284SS*.G310 helixtrans-67.3-7.8173.2-55.3-57.6131.500113.6L89 V91L89-E93 WeakPolarHBondContact O-CG 3.45Å; V91-E93 VanDerWaalsContact C-N 3.26Å; V91-E93 PolarHBondContact O-N 2.8Å
94Q88.8Confident90.5Very high38 Ų3862.1 Ų62.118%0.17828%0.28CS..G310 helixtrans-114.9-7.4179.1-66.316471.400113.3N90 V91 K92 T135 L136N90-Q94 PolarHBondContact O-NE2 3.46Å; V91-Q94 WeakPolarHBondContact O-CB 3.28Å; V91-Q94 PolarHBondContact O-N 3.46Å; K92-Q94 PolarHBondContact O-N 2.81Å; Q94-T135 HydrophobicContact CG-CG2 4.47Å; Q94-T135 PolarHBondContact OE1-O 3.48Å; Q94-L136 VanDerWaalsContact OE1-CA 3.29Å
95L91.9Very high92Very high17 Ų1758.5 Ų58.59%0.08927%0.272CS..SBendtrans-82141.7176.1-62.3-175.3000110W88 V91 K92 E99 F103 Y132W88-L95 HydrophobicContact CH2-CD1 3.5Å; W88-L95 VanDerWaalsContact CH2-CD1 3.5Å; W88-L95 HydrophobicContact CZ3-CD1 3.61Å; V91-L95 HydrophobicContact CG1-CD1 4.24Å; V91-L95 HydrophobicContact CG1-CD2 4.48Å; V91-L95 HydrophobicContact CG1-CG 4.28Å; K92-L95 PolarHBondContact O-N 2.97Å; L95-E99 WeakPolarHBondContact CA-OE2 3.49Å; L95-E99 HydrophobicContact CB-CB 3.99Å; L95-E99 HydrophobicContact CD2-CB 4.36Å; L95-F103 HydrophobicContact CD1-CD2 3.75Å; L95-F103 HydrophobicContact CD1-CE2 3.9Å; L95-Y132 HydrophobicContact CD2-CE1 3.65Å
96N92.1Very high92.8Very high71 Ų7157.2 Ų57.238%0.3827%0.265SS..  trans-70.9162.7171.281.663.1000110.7H98 E99 L100N96-H98 PolarHBondContact O-N 3.02Å; N96-H98 VanDerWaalsContact O-N 3.09Å; N96-H98 WeakPolarHBondContact OD1-CA 3.19Å; N96-H98 WeakPolarHBondContact OD1-CB 3.5Å; N96-H98 PolarHBondContact OD1-N 3.11Å; N96-E99 PolarHBondContact N-OE2 3.24Å; N96-E99 WeakPolarHBondContact ND2-CG 3.35Å; N96-E99 PolarHBondContact ND2-OE1 3.14Å; N96-E99 PolarHBondContact ND2-OE2 3.41Å; N96-E99 PolarHBondContact O-N 3.46Å; N96-E99 VanDerWaalsContact O-N 3.15Å; N96-E99 PolarHBondContact OD1-N 3.42Å; N96-L100 WeakPolarHBondContact O-CB 3.46Å; N96-L100 PolarHBondContact O-N 3.21Å
97R93.6Very high93.1Very high199 Ų19967.2 Ų67.275%0.75130%0.302SS*.Hα-helixtrans-54.3-34.3-175.8-176.5178.9172.194.42.1113.7Q101R97-Q101 VanDerWaalsContact O-CB 3.27Å; R97-Q101 WeakPolarHBondContact O-CB 3.43Å; R97-Q101 PolarHBondContact O-N 3.35Å
98H94.8Very high93.3Very high143 Ų14372.1 Ų72.166%0.66233%0.325SS*.Hα-helixtrans-78.9-39.5-179.1-55.4-79.9000112.2N96 Q101 R102N96-H98 PolarHBondContact O-N 3.02Å; N96-H98 VanDerWaalsContact O-N 3.09Å; N96-H98 WeakPolarHBondContact OD1-CA 3.19Å; N96-H98 WeakPolarHBondContact OD1-CB 3.5Å; N96-H98 PolarHBondContact OD1-N 3.11Å; H98-Q101 PolarHBondContact O-N 2.86Å; H98-R102 WeakPolarHBondContact O-CB 3.43Å; H98-R102 PolarHBondContact O-N 2.79Å
99E92.9Very high93.3Very high48 Ų4872.5 Ų72.522%0.22433%0.326CS..Hα-helixtrans-59.6-48.2169.8-74.8158.9179.400110.6L95 N96 Q101 R102 F103 Y132L95-E99 WeakPolarHBondContact CA-OE2 3.49Å; L95-E99 HydrophobicContact CB-CB 3.99Å; L95-E99 HydrophobicContact CD2-CB 4.36Å; N96-E99 PolarHBondContact N-OE2 3.24Å; N96-E99 WeakPolarHBondContact ND2-CG 3.35Å; N96-E99 PolarHBondContact ND2-OE1 3.14Å; N96-E99 PolarHBondContact ND2-OE2 3.41Å; N96-E99 PolarHBondContact O-N 3.46Å; N96-E99 VanDerWaalsContact O-N 3.15Å; N96-E99 PolarHBondContact OD1-N 3.42Å; E99-Q101 PolarHBondContact O-N 3.25Å; E99-R102 WeakPolarHBondContact O-CB 3.47Å; E99-R102 PolarHBondContact O-N 3.3Å; E99-F103 WeakPolarHBondContact O-CD2 3.23Å; E99-F103 PolarHBondContact O-N 3.37Å; E99-F103 VanDerWaalsContact O-N 3.15Å; E99-Y132 PolarHBondContact OE1-OH 3.13Å
100L94.7Very high93.4Very high53 Ų5375.4 Ų75.428%0.27735%0.349SS..Hα-helixtrans-58.7-49.2177-167.867.6000111.1W88 K92 N96 R102 F103 Y104W88-L100 HydrophobicContact CH2-CD1 4.34Å; W88-L100 HydrophobicContact CZ2-CD1 4.02Å; K92-L100 HydrophobicContact CB-CD1 3.76Å; N96-L100 WeakPolarHBondContact O-CB 3.46Å; N96-L100 PolarHBondContact O-N 3.21Å; L100-R102 VanDerWaalsContact C-N 3.31Å; L100-R102 PolarHBondContact O-N 2.77Å; L100-F103 PolarHBondContact O-N 3.48Å; L100-Y104 HydrophobicContact CD1-CD2 4.12Å; L100-Y104 HydrophobicContact CD1-CE2 3.73Å; L100-Y104 HydrophobicContact CG-CD2 4.03Å; L100-Y104 HydrophobicContact CG-CE2 4.03Å; L100-Y104 WeakPolarHBondContact O-CD2 3.36Å; L100-Y104 PolarHBondContact O-N 3.46Å
101Q94.8Very high93.6Very high109 Ų10976.7 Ų76.751%0.50936%0.358SS..Hα-helixtrans-60.2-38.2176.9-176.9175.3-16.600112.3R97 H98 E99 F103 Y104 S105R97-Q101 VanDerWaalsContact O-CB 3.27Å; R97-Q101 WeakPolarHBondContact O-CB 3.43Å; R97-Q101 PolarHBondContact O-N 3.35Å; H98-Q101 PolarHBondContact O-N 2.86Å; E99-Q101 PolarHBondContact O-N 3.25Å; Q101-F103 PolarHBondContact O-N 2.82Å; Q101-Y104 CarbonylContact O-C 3.55Å; Q101-Y104 PolarHBondContact O-N 3.03Å; Q101-S105 VanDerWaalsContact O-CB 3.32Å; Q101-S105 WeakPolarHBondContact O-CB 3.35Å; Q101-S105 PolarHBondContact O-N 3.27Å; Q101-S105 PolarHBondContact O-OG 3.38Å
102R95.1Very high93.5Very high105 Ų10578.8 Ų78.840%0.39637%0.368SS..Hα-helixtrans-58.3-47.1175-180-178174.8-162.71.2111.2H98 E99 L100 S105 C122 E126H98-R102 WeakPolarHBondContact O-CB 3.43Å; H98-R102 PolarHBondContact O-N 2.79Å; E99-R102 WeakPolarHBondContact O-CB 3.47Å; E99-R102 PolarHBondContact O-N 3.3Å; L100-R102 VanDerWaalsContact C-N 3.31Å; L100-R102 PolarHBondContact O-N 2.77Å; R102-S105 PolarHBondContact O-N 2.7Å; R102-C122 VanDerWaalsContact CZ-SG 3.57Å; R102-C122 PolarHBondContact NH2-SG 3.22Å; R102-C122 VanDerWaalsContact NH2-SG 3.37Å; R102-E126 IonicContact CZ-OE1 3.59Å; R102-E126 IonicContact NH1-OE1 3.56Å; R102-E126 PolarHBondContact NH1-OE1 3.47Å; R102-E126 IonicContact NH1-OE2 2.66Å; R102-E126 IonicContact NH2-OE1 2.79Å; R102-E126 PolarHBondContact NH2-OE1 3.05Å
103F95.8Very high93.5Very high4 Ų477.8 Ų77.82%0.01837%0.365CS..Hα-helixtrans-71.5-27.1177.8-66.2-66.1000114.5W88 L95 E99 L100 Q101 S105 L106 A118 W119 C122W88-F103 HydrophobicContact CH2-CB 3.7Å; W88-F103 AromaticContact CH2-CD2 3.77Å; W88-F103 HydrophobicContact CH2-CD2 3.77Å; W88-F103 AromaticContact CH2-CG 3.85Å; W88-F103 HydrophobicContact CH2-CG 3.85Å; W88-F103 HydrophobicContact CZ2-CB 4.15Å; W88-F103 HydrophobicContact CZ3-CD2 4.24Å; W88-F103 HydrophobicContact CZ3-CG 4.38Å; L95-F103 HydrophobicContact CD1-CD2 3.75Å; L95-F103 HydrophobicContact CD1-CE2 3.9Å; E99-F103 WeakPolarHBondContact O-CD2 3.23Å; E99-F103 PolarHBondContact O-N 3.37Å; E99-F103 VanDerWaalsContact O-N 3.15Å; L100-F103 PolarHBondContact O-N 3.48Å; Q101-F103 PolarHBondContact O-N 2.82Å; F103-S105 VanDerWaalsContact C-N 3.34Å; F103-L106 HydrophobicContact CD1-CD1 3.97Å; F103-A118 HydrophobicContact CD1-CB 4.2Å; F103-A118 HydrophobicContact CE1-CB 4.37Å; F103-W119 HydrophobicContact CD1-CB 4.42Å; F103-W119 VanDerWaalsContact CE1-CA 3.47Å; F103-W119 HydrophobicContact CE1-CB 3.96Å; F103-W119 HydrophobicContact CE2-CB 4.26Å; F103-W119 AromaticContact CE2-CD1 3.94Å; F103-W119 HydrophobicContact CZ-CB 3.88Å; F103-W119 AromaticContact CZ-CD1 3.99Å; F103-W119 HydrophobicContact CZ-CG 4.36Å; F103-C122 HydrophobicContact CE1-CB 3.92Å; F103-C122 HydrophobicContact CZ-CB 3.79Å
104Y94.7Very high93.8Very high97 Ų9772.1 Ų72.138%0.3834%0.339SS..Hα-helixtrans-82.3-8171-79.4-77.8000113.9W88 L100 Q101 E112 R115W88-Y104 HydrophobicContact CZ2-CE2 4.1Å; W88-Y104 PolarHBondContact NE1-OH 3.29Å; L100-Y104 HydrophobicContact CD1-CD2 4.12Å; L100-Y104 HydrophobicContact CD1-CE2 3.73Å; L100-Y104 HydrophobicContact CG-CD2 4.03Å; L100-Y104 HydrophobicContact CG-CE2 4.03Å; L100-Y104 WeakPolarHBondContact O-CD2 3.36Å; L100-Y104 PolarHBondContact O-N 3.46Å; Q101-Y104 CarbonylContact O-C 3.55Å; Q101-Y104 PolarHBondContact O-N 3.03Å; Y104-E112 VanDerWaalsContact OH-CD 3.29Å; Y104-E112 PolarHBondContact OH-OE1 3.13Å; Y104-E112 PolarHBondContact OH-OE2 3.39Å; Y104-E112 VanDerWaalsContact OH-OE2 3.12Å; Y104-R115 VanDerWaalsContact CD1-NE 3.26Å; Y104-R115 VanDerWaalsContact CE1-CZ 3.47Å; Y104-R115 VanDerWaalsContact CE1-NE 3.26Å
105S96.2Very high94.2Very high79 Ų7971.6 Ų71.655%0.55234%0.335SS*.THydrogen-bonded Turntrans-102.54.1177.9-52.60000113.9Q101 R102 F103Q101-S105 VanDerWaalsContact O-CB 3.32Å; Q101-S105 WeakPolarHBondContact O-CB 3.35Å; Q101-S105 PolarHBondContact O-N 3.27Å; Q101-S105 PolarHBondContact O-OG 3.38Å; R102-S105 PolarHBondContact O-N 2.7Å; F103-S105 VanDerWaalsContact C-N 3.34Å
106L96.1Very high94.4Very high25 Ų2570.8 Ų70.813%0.13133%0.331CS..  trans-69.3135.5175-62.3-178.9000110.1F103 I109 A118 I178 D179F103-L106 HydrophobicContact CD1-CD1 3.97Å; L106-I109 HydrophobicContact CB-CB 4.09Å; L106-I109 HydrophobicContact CD1-CD1 3.93Å; L106-A118 HydrophobicContact CD1-CB 3.77Å; L106-I178 HydrophobicContact CD2-CD1 4.36Å; L106-D179 HydrophobicContact CD2-CB 4.26Å
107R96.3Very high94.6Very high220 Ų22069.7 Ų69.783%0.8332%0.321SS*.SBendtrans-78.1-35.2-166-64.5-177.7178.4-175.6-0113D179R107-D179 PolarHBondContact N-OD1 3.34Å; R107-D179 PolarHBondContact N-OD2 3.24Å
108H94.8Very high94.8Very high104 Ų10460.2 Ų60.248%0.48129%0.285SS..SBendtrans-100.51.7-174.6-49.4131.3000112.2D179 S181 N184H108-D179 WeakPolarHBondContact CB-OD1 3.37Å; H108-D179 IonicContact CG-OD1 3.84Å; H108-D179 PolarHBondContact N-OD1 2.91Å; H108-D179 PolarHBondContact ND1-O 3.07Å; H108-D179 IonicContact ND1-OD1 3.92Å; H108-S181 WeakPolarHBondContact O-CA 3.43Å; H108-N184 PolarHBondContact O-ND2 3.22Å
109I95.7Very high95Very high7 Ų753.5 Ų53.54%0.03625%0.254CS..  trans-115104.2-172.3-65.6179.5000112.3L106 G114 R115 A118 I178 L183 N184L106-I109 HydrophobicContact CB-CB 4.09Å; L106-I109 HydrophobicContact CD1-CD1 3.93Å; I109-G114 VanDerWaalsContact CG2-C 3.5Å; I109-R115 HydrophobicContact CG2-CG 3.72Å; I109-R115 PolarHBondContact O-NH2 3.22Å; I109-A118 HydrophobicContact CD1-CB 3.63Å; I109-I178 WeakPolarHBondContact CD1-O 3.39Å; I109-L183 HydrophobicContact CD1-CB 4.31Å; I109-L183 HydrophobicContact CD1-CD1 4.05Å; I109-N184 WeakPolarHBondContact CA-OD1 3.44Å
110S91.9Very high95.2Very high91 Ų9151.2 Ų51.264%0.63624%0.244SC*.  trans-101.3-31-178.1590000113.2R115 N184S110-R115 PolarHBondContact O-NH1 3.06Å; S110-R115 PolarHBondContact O-NH2 2.81Å; S110-N184 PolarHBondContact N-OD1 3.23Å; S110-N184 PolarHBondContact OG-OD1 3.42Å
111S92.1Very high95.4Very high31 Ų3150.3 Ų50.322%0.21724%0.236CC..SBendtrans-94.6152.4-174.192.30000113.9L113 G114 R115 N184S111-L113 VanDerWaalsContact C-N 3.26Å; S111-L113 PolarHBondContact O-N 2.86Å; S111-L113 PolarHBondContact OG-N 3.22Å; S111-G114 PolarHBondContact O-N 3.34Å; S111-G114 VanDerWaalsContact O-N 3.16Å; S111-G114 PolarHBondContact OG-N 3.36Å; S111-R115 PolarHBondContact O-N 3.17Å; S111-N184 PolarHBondContact N-OD1 2.87Å; S111-N184 WeakPolarHBondContact OG-CA 3.48Å; S111-N184 PolarHBondContact OG-O 2.9Å
112E91.3Very high95.5Very high48 Ų4845.2 Ų45.222%0.22421%0.213CC..Hα-helixtrans-62.7-32.5174-65.7-69.490.400111.9W88 K92 Y104 R115 G116W88-E112 WeakPolarHBondContact CB-O 3.48Å; W88-E112 VanDerWaalsContact CD1-CD 3.44Å; W88-E112 PolarHBondContact NE1-OE1 2.94Å; W88-E112 PolarHBondContact NE1-OE2 3.22Å; K92-E112 IonicContact NZ-OE2 2.7Å; K92-E112 PolarHBondContact NZ-OE2 3Å; Y104-E112 VanDerWaalsContact OH-CD 3.29Å; Y104-E112 PolarHBondContact OH-OE1 3.13Å; Y104-E112 PolarHBondContact OH-OE2 3.39Å; Y104-E112 VanDerWaalsContact OH-OE2 3.12Å; E112-R115 PolarHBondContact O-N 3.44Å; E112-R115 IonicContact OE1-CZ 2.75Å; E112-R115 IonicContact OE1-NE 3.76Å; E112-R115 IonicContact OE1-NH1 2.69Å; E112-R115 PolarHBondContact OE1-NH1 3.46Å; E112-G116 PolarHBondContact O-N 3.23Å; E112-G116 VanDerWaalsContact O-N 3.07Å
113L92.1Very high95.6Very high26 Ų2640.3 Ų40.314%0.13620%0.195CC..Hα-helixtrans-64.1-43.5172.3178.458.5000111.4T86 F87 S111 R115 G116 R117T86-L113 HydrophobicContact CG2-CB 3.92Å; T86-L113 HydrophobicContact CG2-CD1 4.31Å; F87-L113 HydrophobicContact CE1-CD1 4.47Å; S111-L113 VanDerWaalsContact C-N 3.26Å; S111-L113 PolarHBondContact O-N 2.86Å; S111-L113 PolarHBondContact OG-N 3.22Å; L113-R115 VanDerWaalsContact C-N 3.34Å; L113-R115 PolarHBondContact O-N 2.81Å; L113-G116 PolarHBondContact O-N 3.27Å; L113-R117 WeakPolarHBondContact O-CB 3.44Å; L113-R117 WeakPolarHBondContact O-CG 3.29Å; L113-R117 PolarHBondContact O-N 2.9Å
114G95.4Very high95.8Very high0 Ų040.4 Ų40.40%020%0.195CC..Hα-helixtrans-60.4-41.4175.100000112.4I109 S111 R117 A118 L183I109-G114 VanDerWaalsContact CG2-C 3.5Å; S111-G114 PolarHBondContact O-N 3.34Å; S111-G114 VanDerWaalsContact O-N 3.16Å; S111-G114 PolarHBondContact OG-N 3.36Å; G114-R117 PolarHBondContact O-N 3.47Å; G114-A118 WeakPolarHBondContact O-CB 3.48Å; G114-A118 PolarHBondContact O-N 2.95Å; G114-L183 VanDerWaalsContact CA-O 3.29Å; G114-L183 WeakPolarHBondContact CA-O 3.39Å
115R95.9Very high95.9Very high26 Ų2638 Ų3810%0.09819%0.189CC..Hα-helixtrans-63.6-43.7175.6-66.5178.1-172.29722112.3W88 Y104 I109 S110 S111 E112 L113 R117 A118 W119W88-R115 HydrophobicContact CD2-CB 3.65Å; W88-R115 VanDerWaalsContact CE2-CB 3.41Å; W88-R115 HydrophobicContact CE3-CB 4.15Å; W88-R115 HydrophobicContact CG-CB 4.07Å; W88-R115 HydrophobicContact CH2-CB 4.21Å; W88-R115 HydrophobicContact CZ2-CB 3.73Å; W88-R115 HydrophobicContact CZ2-CG 4.41Å; W88-R115 HydrophobicContact CZ3-CB 4.41Å; Y104-R115 VanDerWaalsContact CD1-NE 3.26Å; Y104-R115 VanDerWaalsContact CE1-CZ 3.47Å; Y104-R115 VanDerWaalsContact CE1-NE 3.26Å; I109-R115 HydrophobicContact CG2-CG 3.72Å; I109-R115 PolarHBondContact O-NH2 3.22Å; S110-R115 PolarHBondContact O-NH1 3.06Å; S110-R115 PolarHBondContact O-NH2 2.81Å; S111-R115 PolarHBondContact O-N 3.17Å; E112-R115 PolarHBondContact O-N 3.44Å; E112-R115 IonicContact OE1-CZ 2.75Å; E112-R115 IonicContact OE1-NE 3.76Å; E112-R115 IonicContact OE1-NH1 2.69Å; E112-R115 PolarHBondContact OE1-NH1 3.46Å; L113-R115 VanDerWaalsContact C-N 3.34Å; L113-R115 PolarHBondContact O-N 2.81Å; R115-R117 VanDerWaalsContact C-N 3.32Å; R115-R117 PolarHBondContact O-N 2.81Å; R115-A118 PolarHBondContact O-N 2.96Å; R115-W119 WeakPolarHBondContact O-CB 3.45Å; R115-W119 PolarHBondContact O-N 2.83Å
116G96.3Very high95.9Very high0 Ų038.3 Ų38.30%018%0.182CC..Hα-helixtrans-58.8-42172.400000113.2F87 E112 L113 W119 L120F87-G116 WeakPolarHBondContact CZ-O 3.4Å; E112-G116 PolarHBondContact O-N 3.23Å; E112-G116 VanDerWaalsContact O-N 3.07Å; L113-G116 PolarHBondContact O-N 3.27Å; G116-W119 PolarHBondContact O-N 2.92Å; G116-L120 PolarHBondContact O-N 3.25Å
117R97Very high96Very high49 Ų4940.4 Ų40.419%0.18519%0.191CC..Hα-helixtrans-70.3-34.3177.8-80.5165.1166.2-167.2-2.2114.2E51 L113 G114 R115 R121 L183E51-R117 IonicContact OE1-CZ 3.47Å; E51-R117 VanDerWaalsContact OE1-CZ 3.26Å; E51-R117 IonicContact OE1-NE 2.81Å; E51-R117 PolarHBondContact OE1-NE 2.69Å; E51-R117 IonicContact OE1-NH2 2.92Å; E51-R117 PolarHBondContact OE1-NH2 3.48Å; E51-R117 VanDerWaalsContact OE2-CG 3.25Å; E51-R117 WeakPolarHBondContact OE2-CG 3.36Å; E51-R117 IonicContact OE2-CZ 3.77Å; E51-R117 IonicContact OE2-NE 3.18Å; E51-R117 PolarHBondContact OE2-NE 3.47Å; E51-R117 IonicContact OE2-NH2 2.81Å; L113-R117 WeakPolarHBondContact O-CB 3.44Å; L113-R117 WeakPolarHBondContact O-CG 3.29Å; L113-R117 PolarHBondContact O-N 2.9Å; G114-R117 PolarHBondContact O-N 3.47Å; R115-R117 VanDerWaalsContact C-N 3.32Å; R115-R117 PolarHBondContact O-N 2.81Å; R117-R121 VanDerWaalsContact O-CG 3.31Å; R117-R121 WeakPolarHBondContact O-CG 3.37Å; R117-R121 PolarHBondContact O-N 3.04Å; R117-R121 PolarHBondContact O-NH1 3.18Å; R117-L183 HydrophobicContact CB-CB 4.08Å; R117-L183 HydrophobicContact CB-CD1 4.46Å; R117-L183 WeakPolarHBondContact CD-O 3.14Å; R117-L183 PolarHBondContact NH1-O 2.82Å
118A97.6Very high96Very high0 Ų031 Ų310%016%0.159CC..Hα-helixtrans-70.7-43172.700000111.3F103 L106 I109 G114 R115 L120 R121 C122 I178 L183F103-A118 HydrophobicContact CD1-CB 4.2Å; F103-A118 HydrophobicContact CE1-CB 4.37Å; L106-A118 HydrophobicContact CD1-CB 3.77Å; I109-A118 HydrophobicContact CD1-CB 3.63Å; G114-A118 WeakPolarHBondContact O-CB 3.48Å; G114-A118 PolarHBondContact O-N 2.95Å; R115-A118 PolarHBondContact O-N 2.96Å; A118-L120 PolarHBondContact O-N 3.03Å; A118-R121 PolarHBondContact O-N 3.35Å; A118-C122 VanDerWaalsContact O-CB 3.31Å; A118-C122 WeakPolarHBondContact O-CB 3.34Å; A118-C122 PolarHBondContact O-N 3.38Å; A118-I178 VanDerWaalsContact CB-O 3.23Å; A118-I178 WeakPolarHBondContact CB-O 3.48Å; A118-L183 HydrophobicContact CB-CD1 4.43Å
119W97.8Very high96.2Very high2 Ų226.2 Ų26.21%0.00814%0.137CC..Hα-helixtrans-58.9-45.4174.3166.385000112.3L54 F87 W88 V91 F103 R115 G116 R121 C122 A123 L129 Y132 L136L54-W119 HydrophobicContact CD1-CZ3 4.14Å; F87-W119 AromaticContact CE2-CE3 3.98Å; F87-W119 HydrophobicContact CE2-CE3 3.98Å; F87-W119 HydrophobicContact CE2-CZ3 4Å; W88-W119 HydrophobicContact CE3-CB 4.24Å; W88-W119 HydrophobicContact CZ3-CB 3.78Å; W88-W119 HydrophobicContact CZ3-CG 4.18Å; V91-W119 HydrophobicContact CG1-CD2 3.51Å; V91-W119 VanDerWaalsContact CG1-CE2 3.45Å; V91-W119 HydrophobicContact CG1-CE3 4.08Å; V91-W119 HydrophobicContact CG1-CG 3.72Å; V91-W119 HydrophobicContact CG1-CZ2 3.99Å; V91-W119 HydrophobicContact CG2-CD2 4.23Å; V91-W119 HydrophobicContact CG2-CE3 3.96Å; V91-W119 HydrophobicContact CG2-CH2 3.91Å; V91-W119 HydrophobicContact CG2-CZ2 4.15Å; V91-W119 HydrophobicContact CG2-CZ3 3.81Å; F103-W119 HydrophobicContact CD1-CB 4.42Å; F103-W119 VanDerWaalsContact CE1-CA 3.47Å; F103-W119 HydrophobicContact CE1-CB 3.96Å; F103-W119 HydrophobicContact CE2-CB 4.26Å; F103-W119 AromaticContact CE2-CD1 3.94Å; F103-W119 HydrophobicContact CZ-CB 3.88Å; F103-W119 AromaticContact CZ-CD1 3.99Å; F103-W119 HydrophobicContact CZ-CG 4.36Å; R115-W119 WeakPolarHBondContact O-CB 3.45Å; R115-W119 PolarHBondContact O-N 2.83Å; G116-W119 PolarHBondContact O-N 2.92Å; W119-R121 VanDerWaalsContact C-N 3.28Å; W119-R121 PolarHBondContact O-N 3.08Å; W119-C122 WeakPolarHBondContact O-CB 3.27Å; W119-C122 PolarHBondContact O-N 2.96Å; W119-A123 WeakPolarHBondContact O-CB 3.45Å; W119-A123 PolarHBondContact O-N 3.47Å; W119-L129 HydrophobicContact CH2-CD1 3.98Å; W119-L129 HydrophobicContact CZ3-CD1 4.5Å; W119-Y132 HydrophobicContact CZ2-CD1 4.32Å; W119-Y132 HydrophobicContact CZ2-CD2 4.15Å; W119-Y132 AromaticContact CZ2-CG 3.84Å; W119-Y132 HydrophobicContact CZ2-CG 3.84Å; W119-Y132 AromaticContact NE1-CE2 3.99Å; W119-L136 HydrophobicContact CH2-CD1 3.84Å; W119-L136 HydrophobicContact CZ2-CD1 4.16Å
120L97.9Very high96.3Very high0 Ų028.6 Ų28.60%015%0.148CC..Hα-helixtrans-59.6-40.3178.817760.5000111.8C47 F50 E51 G116 A118 L124 L129C47-L120 WeakPolarHBondContact O-CD2 3.27Å; F50-L120 HydrophobicContact CB-CD1 3.93Å; F50-L120 HydrophobicContact CB-CD2 3.78Å; F50-L120 HydrophobicContact CB-CG 4.47Å; F50-L120 HydrophobicContact CG-CD1 4.27Å; E51-L120 HydrophobicContact CB-CD2 4.47Å; G116-L120 PolarHBondContact O-N 3.25Å; A118-L120 PolarHBondContact O-N 3.03Å; L120-L124 WeakPolarHBondContact O-CG 3.48Å; L120-L124 PolarHBondContact O-N 3.44Å; L120-L129 HydrophobicContact CD1-CD1 3.86Å; L120-L129 HydrophobicContact CD1-CD2 3.95Å
121R98.1Very high96.5Very high33 Ų3333.1 Ų33.113%0.12515%0.151CC..Hα-helixtrans-69.5-42.6175.8-68.2175.2169.665.30.4112.1R117 A118 W119 A123 L124 N125 I176 N177 I178R117-R121 VanDerWaalsContact O-CG 3.31Å; R117-R121 WeakPolarHBondContact O-CG 3.37Å; R117-R121 PolarHBondContact O-N 3.04Å; R117-R121 PolarHBondContact O-NH1 3.18Å; A118-R121 PolarHBondContact O-N 3.35Å; W119-R121 VanDerWaalsContact C-N 3.28Å; W119-R121 PolarHBondContact O-N 3.08Å; R121-A123 VanDerWaalsContact C-N 3.33Å; R121-A123 PolarHBondContact O-N 3.13Å; R121-L124 PolarHBondContact O-N 3.36Å; R121-N125 VanDerWaalsContact O-CG 3.25Å; R121-N125 PolarHBondContact O-N 2.78Å; R121-N125 PolarHBondContact O-OD1 3.09Å; R121-I176 HydrophobicContact CB-CB 4.17Å; R121-I176 HydrophobicContact CB-CG2 4.16Å; R121-I176 HydrophobicContact CG-CB 4.27Å; R121-I176 HydrophobicContact CG-CG2 3.72Å; R121-N177 WeakPolarHBondContact CD-O 3.45Å; R121-I178 HydrophobicContact CB-CG2 3.98Å
122C97.8Very high96.7Very high2 Ų232.8 Ų32.81%0.01415%0.145CC..Hα-helixtrans-58.9-44.6175-161.40000111.3R102 F103 A118 W119 L124 N125 E126 I178R102-C122 VanDerWaalsContact CZ-SG 3.57Å; R102-C122 PolarHBondContact NH2-SG 3.22Å; R102-C122 VanDerWaalsContact NH2-SG 3.37Å; F103-C122 HydrophobicContact CE1-CB 3.92Å; F103-C122 HydrophobicContact CZ-CB 3.79Å; A118-C122 VanDerWaalsContact O-CB 3.31Å; A118-C122 WeakPolarHBondContact O-CB 3.34Å; A118-C122 PolarHBondContact O-N 3.38Å; W119-C122 WeakPolarHBondContact O-CB 3.27Å; W119-C122 PolarHBondContact O-N 2.96Å; C122-L124 VanDerWaalsContact C-N 3.3Å; C122-L124 PolarHBondContact O-N 3.49Å; C122-N125 PolarHBondContact O-N 3.18Å; C122-E126 VanDerWaalsContact O-CB 3.29Å; C122-E126 WeakPolarHBondContact O-CB 3.47Å; C122-E126 WeakPolarHBondContact O-CG 3.35Å; C122-E126 PolarHBondContact O-N 2.9Å; C122-E126 PolarHBondContact SG-OE1 3.46Å; C122-E126 PolarHBondContact SG-OE2 3.11Å; C122-I178 HydrophobicContact CB-CG2 4.17Å
123A98.1Very high96.9Very high2 Ų230.6 Ų30.62%0.01714%0.135CC..Hα-helixtrans-68.9-24.2179.300000113.8W119 R121 H127 S128 L129 Y132W119-A123 WeakPolarHBondContact O-CB 3.45Å; W119-A123 PolarHBondContact O-N 3.47Å; R121-A123 VanDerWaalsContact C-N 3.33Å; R121-A123 PolarHBondContact O-N 3.13Å; A123-H127 PolarHBondContact O-N 2.81Å; A123-S128 WeakPolarHBondContact CA-OG 3.23Å; A123-S128 PolarHBondContact O-N 3.21Å; A123-S128 PolarHBondContact O-OG 3.37Å; A123-L129 HydrophobicContact CB-CB 3.94Å; A123-L129 HydrophobicContact CB-CD1 4.13Å; A123-L129 PolarHBondContact O-N 3.2Å; A123-Y132 HydrophobicContact CB-CD2 3.97Å; A123-Y132 HydrophobicContact CB-CE2 4.22Å
124L98.2Very high97.1Very high6 Ų634.4 Ų34.43%0.03115%0.152CC..Hα-helixtrans-76.4-49.5168.6-72.4169.3000111.4L46 L120 R121 C122 E126 H127 L129 L169 F174 I176L46-L124 HydrophobicContact CD2-CD1 4.42Å; L120-L124 WeakPolarHBondContact O-CG 3.48Å; L120-L124 PolarHBondContact O-N 3.44Å; R121-L124 PolarHBondContact O-N 3.36Å; C122-L124 VanDerWaalsContact C-N 3.3Å; C122-L124 PolarHBondContact O-N 3.49Å; L124-E126 PolarHBondContact O-N 3.15Å; L124-H127 PolarHBondContact O-N 3.46Å; L124-H127 VanDerWaalsContact O-N 3.14Å; L124-L129 HydrophobicContact CD2-CD2 3.67Å; L124-L129 HydrophobicContact CG-CD2 4.09Å; L124-L169 HydrophobicContact CD2-CD1 3.83Å; L124-F174 HydrophobicContact CB-CB 4.45Å; L124-F174 HydrophobicContact CB-CD2 4.17Å; L124-F174 HydrophobicContact CB-CG 4.2Å; L124-F174 HydrophobicContact CD2-CE2 4.25Å; L124-I176 HydrophobicContact CB-CD1 4.08Å; L124-I176 HydrophobicContact CD1-CD1 3.81Å
125N97.6Very high97Very high46 Ų4637.5 Ų37.525%0.24617%0.171CC..Hα-helixtrans-57.9-34.1176.5-65.2-7.5000112.7R121 C122 H127 F174 I176R121-N125 VanDerWaalsContact O-CG 3.25Å; R121-N125 PolarHBondContact O-N 2.78Å; R121-N125 PolarHBondContact O-OD1 3.09Å; C122-N125 PolarHBondContact O-N 3.18Å; N125-H127 PolarHBondContact O-CD2 3.09Å; N125-F174 WeakPolarHBondContact OD1-CB 3.5Å; N125-F174 PolarHBondContact OD1-O 3.39Å; N125-I176 PolarHBondContact ND2-O 2.99Å; N125-I176 WeakPolarHBondContact OD1-CG1 3.34Å; N125-I176 PolarHBondContact OD1-N 2.96Å
126E96.9Very high96.9Very high86 Ų8636.6 Ų36.640%0.40217%0.168SC..THydrogen-bonded Turntrans-95.68.9-177.9-66.2171.1173.600113.2R102 C122 L124 S128R102-E126 IonicContact CZ-OE1 3.59Å; R102-E126 IonicContact NH1-OE1 3.56Å; R102-E126 PolarHBondContact NH1-OE1 3.47Å; R102-E126 IonicContact NH1-OE2 2.66Å; R102-E126 IonicContact NH2-OE1 2.79Å; R102-E126 PolarHBondContact NH2-OE1 3.05Å; C122-E126 VanDerWaalsContact O-CB 3.29Å; C122-E126 WeakPolarHBondContact O-CB 3.47Å; C122-E126 WeakPolarHBondContact O-CG 3.35Å; C122-E126 PolarHBondContact O-N 2.9Å; C122-E126 PolarHBondContact SG-OE1 3.46Å; C122-E126 PolarHBondContact SG-OE2 3.11Å; L124-E126 PolarHBondContact O-N 3.15Å; E126-S128 PolarHBondContact O-N 3.3Å
127H96.9Very high96.8Very high69 Ų6937.5 Ų37.532%0.31917%0.172SC..THydrogen-bonded Turntrans50.132.8-179.5-58.9-113.7000113.4A123 L124 N125 N170 I172A123-H127 PolarHBondContact O-N 2.81Å; L124-H127 PolarHBondContact O-N 3.46Å; L124-H127 VanDerWaalsContact O-N 3.14Å; N125-H127 PolarHBondContact O-CD2 3.09Å; H127-N170 PolarHBondContact CE1-O 2.66Å; H127-N170 PolarHBondContact ND1-O 3.16Å; H127-N170 VanDerWaalsContact ND1-O 3.09Å; H127-I172 PolarHBondContact CE1-O 3.5Å
128S97.1Very high96.6Very high22 Ų2238.9 Ų38.915%0.15420%0.195CC..  trans-116.2-7.7-167.360.90000113.9A123 E126 E130 R131 Y132A123-S128 WeakPolarHBondContact CA-OG 3.23Å; A123-S128 PolarHBondContact O-N 3.21Å; A123-S128 PolarHBondContact O-OG 3.37Å; E126-S128 PolarHBondContact O-N 3.3Å; S128-E130 VanDerWaalsContact C-N 3.27Å; S128-E130 PolarHBondContact O-N 3.15Å; S128-R131 PolarHBondContact O-N 2.9Å; S128-R131 VanDerWaalsContact O-N 3.13Å; S128-Y132 VanDerWaalsContact O-CD2 3.3Å; S128-Y132 WeakPolarHBondContact O-CD2 3.07Å; S128-Y132 PolarHBondContact O-N 3Å; S128-Y132 VanDerWaalsContact O-N 3.11Å; S128-Y132 WeakPolarHBondContact OG-CE2 3.48Å
129L97.8Very high96.2Very high4 Ų441.6 Ų41.62%0.02121%0.209CC..Hα-helixtrans-54.3-38.4-179.2-17860.4000113.4F50 W119 L120 A123 L124 Y132 L133 A166F50-L129 HydrophobicContact CD1-CD2 4.46Å; F50-L129 HydrophobicContact CD2-CD2 4.22Å; F50-L129 HydrophobicContact CE1-CD2 4.13Å; F50-L129 HydrophobicContact CE2-CD2 3.86Å; F50-L129 HydrophobicContact CZ-CD2 3.82Å; W119-L129 HydrophobicContact CH2-CD1 3.98Å; W119-L129 HydrophobicContact CZ3-CD1 4.5Å; L120-L129 HydrophobicContact CD1-CD1 3.86Å; L120-L129 HydrophobicContact CD1-CD2 3.95Å; A123-L129 HydrophobicContact CB-CB 3.94Å; A123-L129 HydrophobicContact CB-CD1 4.13Å; A123-L129 PolarHBondContact O-N 3.2Å; L124-L129 HydrophobicContact CD2-CD2 3.67Å; L124-L129 HydrophobicContact CG-CD2 4.09Å; L129-Y132 PolarHBondContact O-N 3.1Å; L129-L133 HydrophobicContact CD1-CD1 4.04Å; L129-L133 HydrophobicContact CD1-CG 4.07Å; L129-L133 HydrophobicContact CD2-CD1 4.45Å; L129-L133 HydrophobicContact CG-CD1 3.8Å; L129-L133 HydrophobicContact CG-CG 4.3Å; L129-L133 WeakPolarHBondContact O-CB 3.34Å; L129-L133 VanDerWaalsContact O-CG 3.27Å; L129-L133 WeakPolarHBondContact O-CG 3.42Å; L129-L133 PolarHBondContact O-N 3.3Å; L129-A166 HydrophobicContact CB-CB 4.29Å; L129-A166 HydrophobicContact CD2-CB 4.21Å; L129-A166 HydrophobicContact CG-CB 4.04Å
130E97.7Very high95.8Very high58 Ų5844.1 Ų44.127%0.27122%0.218SC..Hα-helixtrans-56.6-52.4174.9174.9-176.7-176.800112.3S128 Y132 L133 H134 P163 A166 A167 N170S128-E130 VanDerWaalsContact C-N 3.27Å; S128-E130 PolarHBondContact O-N 3.15Å; E130-Y132 VanDerWaalsContact C-N 3.32Å; E130-Y132 PolarHBondContact O-N 3.44Å; E130-L133 PolarHBondContact O-N 2.97Å; E130-H134 PolarHBondContact O-CD2 3.21Å; E130-H134 PolarHBondContact O-N 2.73Å; E130-P163 HydrophobicContact CG-CB 4.36Å; E130-A166 HydrophobicContact CB-CB 4.05Å; E130-A167 HydrophobicContact CG-CB 4.15Å; E130-A167 WeakPolarHBondContact OE1-CB 3.28Å; E130-A167 WeakPolarHBondContact OE2-CA 3.4Å; E130-A167 WeakPolarHBondContact OE2-CB 3.38Å; E130-N170 PolarHBondContact OE2-ND2 3.43Å
131R96.5Very high95.4Very high186 Ų18648.9 Ų48.970%0.70225%0.249SC*.Hα-helixtrans-61.3-40.9178.3177.8-177.9171.4-131.7-5111.4S128 T135S128-R131 PolarHBondContact O-N 2.9Å; S128-R131 VanDerWaalsContact O-N 3.13Å; R131-T135 PolarHBondContact O-N 3.47Å; R131-T135 VanDerWaalsContact O-N 3.14Å; R131-T135 PolarHBondContact O-OG1 3.33Å
132Y95.9Very high94.9Very high24 Ų2450.2 Ų50.29%0.09425%0.254CS..Hα-helixtrans-64.8-44.6175.1-76.3-64000112.1L95 E99 W119 A123 S128 L129 E130 H134 T135 L136L95-Y132 HydrophobicContact CD2-CE1 3.65Å; E99-Y132 PolarHBondContact OE1-OH 3.13Å; W119-Y132 HydrophobicContact CZ2-CD1 4.32Å; W119-Y132 HydrophobicContact CZ2-CD2 4.15Å; W119-Y132 AromaticContact CZ2-CG 3.84Å; W119-Y132 HydrophobicContact CZ2-CG 3.84Å; W119-Y132 AromaticContact NE1-CE2 3.99Å; A123-Y132 HydrophobicContact CB-CD2 3.97Å; A123-Y132 HydrophobicContact CB-CE2 4.22Å; S128-Y132 VanDerWaalsContact O-CD2 3.3Å; S128-Y132 WeakPolarHBondContact O-CD2 3.07Å; S128-Y132 PolarHBondContact O-N 3Å; S128-Y132 VanDerWaalsContact O-N 3.11Å; S128-Y132 WeakPolarHBondContact OG-CE2 3.48Å; L129-Y132 PolarHBondContact O-N 3.1Å; E130-Y132 VanDerWaalsContact C-N 3.32Å; E130-Y132 PolarHBondContact O-N 3.44Å; Y132-H134 PolarHBondContact O-N 3.5Å; Y132-T135 PolarHBondContact O-N 3.19Å; Y132-T135 VanDerWaalsContact O-N 3.09Å; Y132-L136 WeakPolarHBondContact O-CB 3.14Å; Y132-L136 WeakPolarHBondContact O-CD1 3.32Å; Y132-L136 WeakPolarHBondContact O-CG 3.2Å; Y132-L136 PolarHBondContact O-N 3.49Å
133L96.8Very high94.5Very high2 Ų250.1 Ų50.11%0.0125%0.254CS..Hα-helixtrans-63.6-38.7179.1-72.9168.1000112F50 L54 L129 E130 T135 L136 L137 L162 P163 A166F50-L133 HydrophobicContact CE1-CD1 4Å; L54-L133 HydrophobicContact CD2-CD2 4.29Å; L129-L133 HydrophobicContact CD1-CD1 4.04Å; L129-L133 HydrophobicContact CD1-CG 4.07Å; L129-L133 HydrophobicContact CD2-CD1 4.45Å; L129-L133 HydrophobicContact CG-CD1 3.8Å; L129-L133 HydrophobicContact CG-CG 4.3Å; L129-L133 WeakPolarHBondContact O-CB 3.34Å; L129-L133 VanDerWaalsContact O-CG 3.27Å; L129-L133 WeakPolarHBondContact O-CG 3.42Å; L129-L133 PolarHBondContact O-N 3.3Å; E130-L133 PolarHBondContact O-N 2.97Å; L133-T135 VanDerWaalsContact C-N 3.34Å; L133-T135 PolarHBondContact O-N 2.85Å; L133-L136 HydrophobicContact CD2-CD1 4.22Å; L133-L136 PolarHBondContact O-N 2.88Å; L133-L137 WeakPolarHBondContact O-CB 3.17Å; L133-L137 VanDerWaalsContact O-CG 3.23Å; L133-L137 WeakPolarHBondContact O-CG 3.36Å; L133-L137 PolarHBondContact O-N 3.29Å; L133-L162 HydrophobicContact CD1-CB 4.2Å; L133-L162 HydrophobicContact CD2-CB 4.47Å; L133-P163 HydrophobicContact CB-CB 4.37Å; L133-P163 HydrophobicContact CB-CG 3.99Å; L133-A166 HydrophobicContact CD1-CB 3.88Å
134H95.8Very high94.2Very high105 Ų10557.2 Ų57.249%0.48628%0.28SS..Hα-helixtrans-58.1-44.6169.5-84-63.4000112.4E130 Y132 L137 A138 P163E130-H134 PolarHBondContact O-CD2 3.21Å; E130-H134 PolarHBondContact O-N 2.73Å; Y132-H134 PolarHBondContact O-N 3.5Å; H134-L137 PolarHBondContact O-N 2.82Å; H134-A138 WeakPolarHBondContact O-CB 3.34Å; H134-A138 PolarHBondContact O-N 3.41Å; H134-A138 VanDerWaalsContact O-N 3.13Å; H134-P163 VanDerWaalsContact CD2-CB 3.47Å; H134-P163 WeakPolarHBondContact CD2-CB 3.43Å; H134-P163 VanDerWaalsContact NE2-CB 3.29Å; H134-P163 WeakPolarHBondContact NE2-CB 3.23Å
135T94.1Very high93.8Very high66 Ų6661.1 Ų61.141%0.40530%0.304SS..Hα-helixtrans-68.7-40.4-179.1-48.10000111.8Q94 R131 Y132 L133 L137 A138Q94-T135 HydrophobicContact CG-CG2 4.47Å; Q94-T135 PolarHBondContact OE1-O 3.48Å; R131-T135 PolarHBondContact O-N 3.47Å; R131-T135 VanDerWaalsContact O-N 3.14Å; R131-T135 PolarHBondContact O-OG1 3.33Å; Y132-T135 PolarHBondContact O-N 3.19Å; Y132-T135 VanDerWaalsContact O-N 3.09Å; L133-T135 VanDerWaalsContact C-N 3.34Å; L133-T135 PolarHBondContact O-N 2.85Å; T135-L137 VanDerWaalsContact C-N 3.32Å; T135-L137 PolarHBondContact O-N 3.01Å; T135-A138 PolarHBondContact O-N 3.08Å
136L92.4Very high93.4Very high6 Ų660.9 Ų60.93%0.03130%0.301CS..Hα-helixtrans-62.3-37177-82.8156.9000112.6N90 V91 Q94 W119 Y132 L133N90-L136 VanDerWaalsContact ND2-CD2 3.27Å; N90-L136 WeakPolarHBondContact ND2-CD2 3.31Å; V91-L136 HydrophobicContact CG2-CD1 4.45Å; V91-L136 HydrophobicContact CG2-CD2 4.13Å; Q94-L136 VanDerWaalsContact OE1-CA 3.29Å; W119-L136 HydrophobicContact CH2-CD1 3.84Å; W119-L136 HydrophobicContact CZ2-CD1 4.16Å; Y132-L136 WeakPolarHBondContact O-CB 3.14Å; Y132-L136 WeakPolarHBondContact O-CD1 3.32Å; Y132-L136 WeakPolarHBondContact O-CG 3.2Å; Y132-L136 PolarHBondContact O-N 3.49Å; L133-L136 HydrophobicContact CD2-CD1 4.22Å; L133-L136 PolarHBondContact O-N 2.88Å
137L94Very high93.2Very high19 Ų1957 Ų5710%0.09928%0.283CS..Hα-helixtrans-93.4-9.2-175.7-64.2175.5000113.8L133 H134 T135 R140 L143 V153 A159 L162 P163L133-L137 WeakPolarHBondContact O-CB 3.17Å; L133-L137 VanDerWaalsContact O-CG 3.23Å; L133-L137 WeakPolarHBondContact O-CG 3.36Å; L133-L137 PolarHBondContact O-N 3.29Å; H134-L137 PolarHBondContact O-N 2.82Å; T135-L137 VanDerWaalsContact C-N 3.32Å; T135-L137 PolarHBondContact O-N 3.01Å; L137-R140 WeakPolarHBondContact O-CD 3.33Å; L137-R140 PolarHBondContact O-NE 2.99Å; L137-L143 HydrophobicContact CD2-CD2 4.1Å; L137-V153 HydrophobicContact CD2-CB 4Å; L137-A159 HydrophobicContact CD1-CB 4.02Å; L137-A159 WeakPolarHBondContact CD1-O 3.29Å; L137-A159 HydrophobicContact CD2-CB 3.87Å; L137-L162 HydrophobicContact CD1-CB 4.42Å; L137-P163 HydrophobicContact CD1-CG 4.29Å
138A93.1Very high93.1Very high79 Ų7955.1 Ų55.165%0.65328%0.275SS*.Hα-helixtrans-75.3-45.3175.700000112.5H134 T135 R140H134-A138 WeakPolarHBondContact O-CB 3.34Å; H134-A138 PolarHBondContact O-N 3.41Å; H134-A138 VanDerWaalsContact O-N 3.13Å; T135-A138 PolarHBondContact O-N 3.08Å; A138-R140 PolarHBondContact O-N 2.94Å
139D89.1Confident92.8Very high56 Ų5660 Ų6030%0.29930%0.299SS..  trans-84.176.7-179.7-169.5-15000111.9P141 R142 L143D139-P141 VanDerWaalsContact OD1-CD 3.31Å; D139-P141 WeakPolarHBondContact OD1-CD 3.32Å; D139-R142 HydrophobicContact CB-CB 4.15Å; D139-R142 PolarHBondContact O-N 3.37Å; D139-R142 VanDerWaalsContact OD1-CB 3.27Å; D139-R142 WeakPolarHBondContact OD1-CB 3.3Å; D139-R142 PolarHBondContact OD1-N 3.35Å; D139-R142 VanDerWaalsContact OD2-CB 3.24Å; D139-R142 WeakPolarHBondContact OD2-CB 3.43Å; D139-R142 IonicContact OD2-CZ 3.17Å; D139-R142 VanDerWaalsContact OD2-CZ 3.25Å; D139-R142 IonicContact OD2-NE 2.79Å; D139-R142 IonicContact OD2-NH1 3.13Å; D139-R142 PolarHBondContact OD2-NH1 3.37Å; D139-L143 WeakPolarHBondContact O-CB 3.27Å; D139-L143 PolarHBondContact O-N 3.43Å
140R90.2Very high92.6Very high55 Ų5564.5 Ų64.521%0.20832%0.316CS..Hα-helixtrans-62.7-38.1176.5-59.9-57-171.8737.6114.6L137 A138 L143 R144 E156L137-R140 WeakPolarHBondContact O-CD 3.33Å; L137-R140 PolarHBondContact O-NE 2.99Å; A138-R140 PolarHBondContact O-N 2.94Å; R140-L143 PolarHBondContact O-N 2.87Å; R140-R144 WeakPolarHBondContact O-CG 3.33Å; R140-R144 PolarHBondContact O-N 3.07Å; R140-E156 IonicContact CZ-OE1 4Å; R140-E156 IonicContact NH1-OE1 2.81Å; R140-E156 PolarHBondContact NH1-OE1 2.67Å
141P89.8Confident92.5Very high100 Ų10061.8 Ų61.865%0.64930%0.303SS*.Hα-helixtrans-57.1-48.3172.8-27.636.4000113.2D139 R144 T145D139-P141 VanDerWaalsContact OD1-CD 3.31Å; D139-P141 WeakPolarHBondContact OD1-CD 3.32Å; P141-R144 PolarHBondContact O-N 3.43Å; P141-T145 PolarHBondContact O-OG1 3.49Å
142R87Confident92.5Very high61 Ų6152.9 Ų52.923%0.2327%0.269CS..Hα-helixtrans-62.7-44.1174.6-174.4175.468.9-131.64.5111.3D139 R144 T145 F146D139-R142 HydrophobicContact CB-CB 4.15Å; D139-R142 PolarHBondContact O-N 3.37Å; D139-R142 VanDerWaalsContact OD1-CB 3.27Å; D139-R142 WeakPolarHBondContact OD1-CB 3.3Å; D139-R142 PolarHBondContact OD1-N 3.35Å; D139-R142 VanDerWaalsContact OD2-CB 3.24Å; D139-R142 WeakPolarHBondContact OD2-CB 3.43Å; D139-R142 IonicContact OD2-CZ 3.17Å; D139-R142 VanDerWaalsContact OD2-CZ 3.25Å; D139-R142 IonicContact OD2-NE 2.79Å; D139-R142 IonicContact OD2-NH1 3.13Å; D139-R142 PolarHBondContact OD2-NH1 3.37Å; R142-R144 VanDerWaalsContact C-N 3.34Å; R142-R144 PolarHBondContact O-N 3.47Å; R142-T145 WeakPolarHBondContact O-CA 3.16Å; R142-T145 WeakPolarHBondContact O-CB 3.25Å; R142-T145 PolarHBondContact O-N 2.87Å; R142-T145 PolarHBondContact O-OG1 3.4Å; R142-F146 HydrophobicContact CG-CD2 4.44Å; R142-F146 HydrophobicContact CG-CE2 3.91Å; R142-F146 WeakPolarHBondContact O-CD2 3.39Å
143L89.8Confident92.5Very high1 Ų151.9 Ų51.91%0.00527%0.266CS..Hα-helixtrans-58.7-41.7-179.5-159.662.1000112.5N90 L137 D139 R140 T145 F146 Y147 V153 L154N90-L143 WeakPolarHBondContact ND2-CD1 3.36Å; L137-L143 HydrophobicContact CD2-CD2 4.1Å; D139-L143 WeakPolarHBondContact O-CB 3.27Å; D139-L143 PolarHBondContact O-N 3.43Å; R140-L143 PolarHBondContact O-N 2.87Å; L143-T145 PolarHBondContact O-N 3.4Å; L143-T145 VanDerWaalsContact O-N 3.17Å; L143-F146 PolarHBondContact O-N 3.23Å; L143-F146 VanDerWaalsContact O-N 3.12Å; L143-Y147 HydrophobicContact CD1-CD2 3.63Å; L143-Y147 HydrophobicContact CD1-CE2 3.58Å; L143-Y147 HydrophobicContact CG-CD2 4.03Å; L143-Y147 HydrophobicContact CG-CE2 4.45Å; L143-Y147 WeakPolarHBondContact O-CD2 3.24Å; L143-Y147 PolarHBondContact O-N 3.13Å; L143-V153 HydrophobicContact CD1-CG2 3.93Å; L143-V153 HydrophobicContact CD2-CB 4.1Å; L143-V153 HydrophobicContact CD2-CG2 3.96Å; L143-V153 VanDerWaalsContact CD2-O 3.31Å; L143-V153 WeakPolarHBondContact CD2-O 3.06Å; L143-V153 HydrophobicContact CG-CG2 3.95Å; L143-L154 HydrophobicContact CB-CD2 4.11Å; L143-L154 HydrophobicContact CD2-CD2 3.92Å; L143-L154 HydrophobicContact CG-CD2 3.89Å
144R91.1Very high92.4Very high150 Ų15052.9 Ų52.957%0.56627%0.271SS*.Hα-helixtrans-65.1-12.8173.6-72.7-178.8179.4170.92.1114.5R140 P141 R142 L154R140-R144 WeakPolarHBondContact O-CG 3.33Å; R140-R144 PolarHBondContact O-N 3.07Å; P141-R144 PolarHBondContact O-N 3.43Å; R142-R144 VanDerWaalsContact C-N 3.34Å; R142-R144 PolarHBondContact O-N 3.47Å; R144-L154 HydrophobicContact CG-CD1 4.06Å; R144-L154 HydrophobicContact CG-CD2 3.75Å
145T90.2Very high92.4Very high88 Ų8849.1 Ų49.154%0.5426%0.255SS..Hα-helixtrans-72.7-40.2172.3-52.60000110.5R59 P141 R142 L143R59-T145 WeakPolarHBondContact CD-O 3.49Å; R59-T145 PolarHBondContact NH1-O 2.87Å; R59-T145 VanDerWaalsContact NH1-O 3.12Å; P141-T145 PolarHBondContact O-OG1 3.49Å; R142-T145 WeakPolarHBondContact O-CA 3.16Å; R142-T145 WeakPolarHBondContact O-CB 3.25Å; R142-T145 PolarHBondContact O-N 2.87Å; R142-T145 PolarHBondContact O-OG1 3.4Å; L143-T145 PolarHBondContact O-N 3.4Å; L143-T145 VanDerWaalsContact O-N 3.17Å
146F89.4Confident92.4Very high42 Ų4252.1 Ų52.118%0.18426%0.264CS..Hα-helixtrans-96-20.2-174.3-61.1-76.7000115R59 L89 N90 R142 L143R59-F146 WeakPolarHBondContact CG-O 3.35Å; R59-F146 PolarHBondContact N-O 2.82Å; L89-F146 HydrophobicContact CB-CD1 4.22Å; L89-F146 HydrophobicContact CB-CE1 3.92Å; L89-F146 WeakPolarHBondContact O-CZ 3.31Å; N90-F146 HydrophobicContact CB-CD2 3.95Å; N90-F146 HydrophobicContact CB-CE2 4.35Å; N90-F146 HydrophobicContact CB-CG 4.2Å; R142-F146 HydrophobicContact CG-CD2 4.44Å; R142-F146 HydrophobicContact CG-CE2 3.91Å; R142-F146 WeakPolarHBondContact O-CD2 3.39Å; L143-F146 PolarHBondContact O-N 3.23Å; L143-F146 VanDerWaalsContact O-N 3.12Å
147Y93Very high92.5Very high3 Ų359.2 Ų59.21%0.01230%0.297CS..BIsolated β-bridgetrans-120.9143.3-175.8-68-93.1000112.5L54 G57 L58 R59 N90 L143 A151 V153L54-Y147 VanDerWaalsContact O-CE1 3.24Å; L54-Y147 WeakPolarHBondContact O-CE1 3.27Å; L54-Y147 PolarHBondContact O-OH 3.5Å; G57-Y147 CarbonylContact O-C 3.56Å; G57-Y147 WeakPolarHBondContact O-CA 3.31Å; L58-Y147 HydrophobicContact CD2-CD1 3.96Å; L58-Y147 HydrophobicContact CD2-CD2 4.31Å; L58-Y147 HydrophobicContact CD2-CE1 3.46Å; L58-Y147 VanDerWaalsContact CD2-CE1 3.46Å; L58-Y147 HydrophobicContact CD2-CE2 3.83Å; L58-Y147 HydrophobicContact CD2-CG 4.36Å; L58-Y147 HydrophobicContact CG-CD1 4.14Å; L58-Y147 HydrophobicContact CG-CE1 3.61Å; R59-Y147 VanDerWaalsContact CG-C 3.4Å; N90-Y147 HydrophobicContact CB-CE2 4.34Å; L143-Y147 HydrophobicContact CD1-CD2 3.63Å; L143-Y147 HydrophobicContact CD1-CE2 3.58Å; L143-Y147 HydrophobicContact CG-CD2 4.03Å; L143-Y147 HydrophobicContact CG-CE2 4.45Å; L143-Y147 WeakPolarHBondContact O-CD2 3.24Å; L143-Y147 PolarHBondContact O-N 3.13Å; Y147-A151 HydrophobicContact CD1-CB 3.77Å; Y147-A151 HydrophobicContact CG-CB 4.19Å; Y147-V153 HydrophobicContact CD1-CG2 3.48Å; Y147-V153 VanDerWaalsContact CD1-CG2 3.48Å; Y147-V153 HydrophobicContact CD2-CG2 3.71Å; Y147-V153 HydrophobicContact CE1-CG2 3.56Å; Y147-V153 HydrophobicContact CE2-CG2 3.82Å; Y147-V153 HydrophobicContact CG-CG2 3.56Å
148E93.6Very high92.5Very high31 Ų3160.2 Ų60.215%0.14530%0.299CS..  trans-80.1155.2170.9-52-82.1-126.600110.1G57 R59 K62 W150 A151 L154G57-E148 PolarHBondContact O-N 3.34Å; R59-E148 HydrophobicContact CB-CG 4.35Å; R59-E148 HydrophobicContact CG-CG 3.77Å; R59-E148 WeakPolarHBondContact CG-OE2 3.29Å; R59-E148 IonicContact CZ-OE2 2.69Å; R59-E148 IonicContact NE-OE2 3.7Å; R59-E148 PolarHBondContact NE-OE2 2.82Å; R59-E148 IonicContact NH2-OE2 3.49Å; K62-E148 WeakPolarHBondContact CE-OE1 3.47Å; K62-E148 IonicContact NZ-OE1 3.5Å; K62-E148 PolarHBondContact NZ-OE1 2.84Å; K62-E148 IonicContact NZ-OE2 3.09Å; E148-W150 HydrophobicContact CB-CG 4.43Å; E148-W150 VanDerWaalsContact CB-NE1 3.34Å; E148-W150 PolarHBondContact O-N 2.98Å; E148-A151 WeakPolarHBondContact O-CB 3.33Å; E148-A151 PolarHBondContact O-N 2.92Å; E148-L154 WeakPolarHBondContact O-CD1 3.37Å
149D92.5Very high92.7Very high125 Ų12556.4 Ų56.467%0.66827%0.268SS*.THydrogen-bonded Turntrans-60.8-13.6-173-51-72.4000116R11R11-D149 PolarHBondContact NH2-O 3.42Å
150W93.2Very high93.1Very high98 Ų9857.1 Ų57.137%0.37128%0.277SS..THydrogen-bonded Turntrans-89.70.8173.662.1-90.5000114.1N7 R11 H56 E148N7-W150 HydrophobicContact CB-CB 4.2Å; N7-W150 WeakPolarHBondContact ND2-CB 3.4Å; R11-W150 PolarHBondContact NE-O 3.05Å; R11-W150 VanDerWaalsContact NH2-C 3.33Å; H56-W150 AromaticContact CE1-CE3 3.74Å; H56-W150 AromaticContact CE1-CZ3 3.84Å; H56-W150 PolarHBondContact CE1-O 2.83Å; H56-W150 AromaticContact NE2-CE3 3.87Å; H56-W150 AromaticContact NE2-CZ3 3.58Å; E148-W150 HydrophobicContact CB-CG 4.43Å; E148-W150 VanDerWaalsContact CB-NE1 3.34Å; E148-W150 PolarHBondContact O-N 2.98Å
151A95.4Very high93.4Very high0 Ų057.7 Ų57.70%028%0.283CS..SBendtrans-59.4160.917800000113.6R11 H56 Y147 E148 V153 L154R11-A151 PolarHBondContact NE-O 2.96Å; R11-A151 PolarHBondContact NH2-O 3.05Å; H56-A151 VanDerWaalsContact O-CA 3.23Å; H56-A151 WeakPolarHBondContact O-CA 3.27Å; H56-A151 VanDerWaalsContact O-CB 3.26Å; H56-A151 WeakPolarHBondContact O-CB 3.14Å; Y147-A151 HydrophobicContact CD1-CB 3.77Å; Y147-A151 HydrophobicContact CG-CB 4.19Å; E148-A151 WeakPolarHBondContact O-CB 3.33Å; E148-A151 PolarHBondContact O-N 2.92Å; A151-V153 HydrophobicContact CB-CG2 4.46Å; A151-L154 HydrophobicContact CB-CB 4.5Å; A151-L154 HydrophobicContact CB-CD1 4.4Å; A151-L154 HydrophobicContact CB-CG 4.38Å
152F96.9Very high93.8Very high0 Ų053 Ų530%025%0.253CS..SBendtrans-69.7-49.4173.5-170.7-73.1000110.7R11 L14 L15 V53 H56 L154 D155 R158 L162R11-F152 HydrophobicContact CB-CD2 4.45Å; R11-F152 WeakPolarHBondContact O-CE2 3.34Å; L14-F152 HydrophobicContact CB-CD2 3.99Å; L14-F152 HydrophobicContact CB-CE2 4.09Å; L14-F152 HydrophobicContact CD1-CD2 4.35Å; L15-F152 HydrophobicContact CB-CE2 3.9Å; L15-F152 HydrophobicContact CB-CZ 4.06Å; L15-F152 HydrophobicContact CD1-CZ 4.29Å; V53-F152 HydrophobicContact CG1-CB 4.45Å; V53-F152 HydrophobicContact CG1-CD1 3.64Å; V53-F152 HydrophobicContact CG1-CD2 4.42Å; V53-F152 HydrophobicContact CG1-CE1 3.94Å; V53-F152 HydrophobicContact CG1-CG 3.92Å; V53-F152 HydrophobicContact CG1-CZ 4.43Å; V53-F152 HydrophobicContact CG2-CD2 4.33Å; V53-F152 HydrophobicContact CG2-CE2 4.31Å; H56-F152 HydrophobicContact CB-CB 4.07Å; H56-F152 PolarHBondContact ND1-N 2.91Å; H56-F152 VanDerWaalsContact ND1-N 3.19Å; H56-F152 PolarHBondContact O-N 3.11Å; F152-L154 PolarHBondContact O-N 3.37Å; F152-L154 VanDerWaalsContact O-N 3.08Å; F152-D155 WeakPolarHBondContact O-CB 3.31Å; F152-D155 PolarHBondContact O-N 2.93Å; F152-R158 HydrophobicContact CE1-CB 4.06Å; F152-R158 HydrophobicContact CE2-CB 4.37Å; F152-R158 HydrophobicContact CZ-CB 3.87Å; F152-L162 HydrophobicContact CD1-CD1 4.05Å; F152-L162 HydrophobicContact CE1-CD1 3.79Å; F152-L162 HydrophobicContact CE1-CD2 3.77Å; F152-L162 HydrophobicContact CE1-CG 3.89Å; F152-L162 HydrophobicContact CZ-CD2 4.18Å
153V95.6Very high94.3Very high3 Ų350.2 Ų50.22%0.01824%0.243CC..THydrogen-bonded Turntrans-69.6-7.5-172-58.20000114.8L54 L137 L143 Y147 A151L54-V153 HydrophobicContact CD2-CG1 4.35Å; L137-V153 HydrophobicContact CD2-CB 4Å; L143-V153 HydrophobicContact CD1-CG2 3.93Å; L143-V153 HydrophobicContact CD2-CB 4.1Å; L143-V153 HydrophobicContact CD2-CG2 3.96Å; L143-V153 VanDerWaalsContact CD2-O 3.31Å; L143-V153 WeakPolarHBondContact CD2-O 3.06Å; L143-V153 HydrophobicContact CG-CG2 3.95Å; Y147-V153 HydrophobicContact CD1-CG2 3.48Å; Y147-V153 VanDerWaalsContact CD1-CG2 3.48Å; Y147-V153 HydrophobicContact CD2-CG2 3.71Å; Y147-V153 HydrophobicContact CE1-CG2 3.56Å; Y147-V153 HydrophobicContact CE2-CG2 3.82Å; Y147-V153 HydrophobicContact CG-CG2 3.56Å; A151-V153 HydrophobicContact CB-CG2 4.46Å
154L95Very high94.7Very high23 Ų2354.8 Ų54.812%0.1227%0.271CS..THydrogen-bonded Turntrans-100.3-6.5174.2-66.9179.3000113.6L143 R144 E148 A151 F152L143-L154 HydrophobicContact CB-CD2 4.11Å; L143-L154 HydrophobicContact CD2-CD2 3.92Å; L143-L154 HydrophobicContact CG-CD2 3.89Å; R144-L154 HydrophobicContact CG-CD1 4.06Å; R144-L154 HydrophobicContact CG-CD2 3.75Å; E148-L154 WeakPolarHBondContact O-CD1 3.37Å; A151-L154 HydrophobicContact CB-CB 4.5Å; A151-L154 HydrophobicContact CB-CD1 4.4Å; A151-L154 HydrophobicContact CB-CG 4.38Å; F152-L154 PolarHBondContact O-N 3.37Å; F152-L154 VanDerWaalsContact O-N 3.08Å
155D95.4Very high95Very high26 Ų2648.3 Ų48.314%0.13925%0.247CC..  trans-81.8116.5171.7-178.1-49.1000108.7R11 F152 E157 R158 A159R11-D155 WeakPolarHBondContact CD-OD2 3.47Å; R11-D155 IonicContact CZ-OD2 3.21Å; R11-D155 IonicContact NE-OD2 2.7Å; F152-D155 WeakPolarHBondContact O-CB 3.31Å; F152-D155 PolarHBondContact O-N 2.93Å; D155-E157 PolarHBondContact OD1-N 3.03Å; D155-R158 HydrophobicContact CB-CB 4.12Å; D155-R158 HydrophobicContact CB-CG 4.47Å; D155-R158 VanDerWaalsContact CG-CD 3.49Å; D155-R158 WeakPolarHBondContact OD1-CB 3.4Å; D155-R158 VanDerWaalsContact OD1-CG 3.24Å; D155-R158 WeakPolarHBondContact OD1-CG 3.14Å; D155-R158 PolarHBondContact OD1-N 3.31Å; D155-R158 WeakPolarHBondContact OD2-CD 3.24Å; D155-R158 IonicContact OD2-NE 3.8Å; D155-R158 PolarHBondContact OD2-NE 3.5Å; D155-A159 WeakPolarHBondContact O-CB 3.38Å; D155-A159 PolarHBondContact O-N 2.92Å
156E92.9Very high95.4Very high128 Ų12844.2 Ų44.260%0.59822%0.222SC*.Hα-helixtrans-68.3-46.5-169.1-82.2-178.917900113.5R140 S160R140-E156 IonicContact CZ-OE1 4Å; R140-E156 IonicContact NH1-OE1 2.81Å; R140-E156 PolarHBondContact NH1-OE1 2.67Å; E156-S160 VanDerWaalsContact O-CB 3.28Å; E156-S160 WeakPolarHBondContact O-CB 3.39Å; E156-S160 PolarHBondContact O-N 3.49Å; E156-S160 VanDerWaalsContact O-N 3.16Å
157E94.5Very high95.8Very high155 Ų15543.7 Ų43.772%0.72423%0.225SC*.Hα-helixtrans-61.5-47.7177.8-61.7-180177.300110D155 S160D155-E157 PolarHBondContact OD1-N 3.03Å; E157-S160 PolarHBondContact O-OG 3.44Å
158R95.6Very high95.9Very high40 Ų4044.6 Ų44.615%0.15124%0.236CC..Hα-helixtrans-75.9-40.7-173.9-62.1178.5-168.7-75.8-3.7113.8L15 F152 D155 S160 M161L15-R158 HydrophobicContact CD2-CG 4.49Å; F152-R158 HydrophobicContact CE1-CB 4.06Å; F152-R158 HydrophobicContact CE2-CB 4.37Å; F152-R158 HydrophobicContact CZ-CB 3.87Å; D155-R158 HydrophobicContact CB-CB 4.12Å; D155-R158 HydrophobicContact CB-CG 4.47Å; D155-R158 VanDerWaalsContact CG-CD 3.49Å; D155-R158 WeakPolarHBondContact OD1-CB 3.4Å; D155-R158 VanDerWaalsContact OD1-CG 3.24Å; D155-R158 WeakPolarHBondContact OD1-CG 3.14Å; D155-R158 PolarHBondContact OD1-N 3.31Å; D155-R158 WeakPolarHBondContact OD2-CD 3.24Å; D155-R158 IonicContact OD2-NE 3.8Å; D155-R158 PolarHBondContact OD2-NE 3.5Å; R158-S160 VanDerWaalsContact C-N 3.3Å; R158-S160 PolarHBondContact O-N 3.32Å; R158-M161 PolarHBondContact O-N 3.12Å
159A96.6Very high96.1Very high0 Ų043.3 Ų43.30%023%0.23CC..Hα-helixtrans-68.3-32.4178.500000111.6L137 D155 M161 L162L137-A159 HydrophobicContact CD1-CB 4.02Å; L137-A159 WeakPolarHBondContact CD1-O 3.29Å; L137-A159 HydrophobicContact CD2-CB 3.87Å; D155-A159 WeakPolarHBondContact O-CB 3.38Å; D155-A159 PolarHBondContact O-N 2.92Å; A159-M161 PolarHBondContact O-N 3.29Å; A159-M161 VanDerWaalsContact O-N 3.1Å; A159-L162 WeakPolarHBondContact O-CB 3.5Å; A159-L162 PolarHBondContact O-N 3.45Å
160S96.4Very high96.2Very high71 Ų7140.4 Ų40.450%0.49721%0.214SC..Hα-helixtrans-58.1-24.5178.276.30000114.1E156 E157 R158 P163E156-S160 VanDerWaalsContact O-CB 3.28Å; E156-S160 WeakPolarHBondContact O-CB 3.39Å; E156-S160 PolarHBondContact O-N 3.49Å; E156-S160 VanDerWaalsContact O-N 3.16Å; E157-S160 PolarHBondContact O-OG 3.44Å; R158-S160 VanDerWaalsContact C-N 3.3Å; R158-S160 PolarHBondContact O-N 3.32Å; S160-P163 WeakPolarHBondContact O-CD 3.47Å
161M97.7Very high96.3Very high67 Ų6738.8 Ų38.833%0.3322%0.218SC..Hα-helixtrans-78.5-20.6177-72.3179.2-83.200113.7L15 R158 A159 T164 M165L15-M161 HydrophobicContact CD1-CB 4.48Å; L15-M161 HydrophobicContact CD1-CE 3.92Å; L15-M161 HydrophobicContact CD1-SD 4.21Å; L15-M161 HydrophobicContact CD2-CE 3.49Å; L15-M161 VanDerWaalsContact CD2-CE 3.49Å; L15-M161 HydrophobicContact CD2-SD 4.36Å; L15-M161 HydrophobicContact CG-CE 4.37Å; R158-M161 PolarHBondContact O-N 3.12Å; A159-M161 PolarHBondContact O-N 3.29Å; A159-M161 VanDerWaalsContact O-N 3.1Å; M161-T164 WeakPolarHBondContact O-CB 3.42Å; M161-T164 PolarHBondContact O-N 2.89Å; M161-M165 HydrophobicContact CB-SD 3.92Å; M161-M165 WeakPolarHBondContact O-CB 3.41Å; M161-M165 WeakPolarHBondContact O-CG 3.35Å; M161-M165 PolarHBondContact O-N 2.97Å
162L98Very high96.4Very high1 Ų138.9 Ų38.91%0.00522%0.219CC..Hα-helixtrans-61.7-43.5-173.6-60.1180000113.7L18 V53 L133 L137 F152 A159 M165 A166L18-L162 HydrophobicContact CD2-CD2 3.56Å; V53-L162 HydrophobicContact CG1-CD1 3.74Å; V53-L162 HydrophobicContact CG1-CD2 3.93Å; L133-L162 HydrophobicContact CD1-CB 4.2Å; L133-L162 HydrophobicContact CD2-CB 4.47Å; L137-L162 HydrophobicContact CD1-CB 4.42Å; F152-L162 HydrophobicContact CD1-CD1 4.05Å; F152-L162 HydrophobicContact CE1-CD1 3.79Å; F152-L162 HydrophobicContact CE1-CD2 3.77Å; F152-L162 HydrophobicContact CE1-CG 3.89Å; F152-L162 HydrophobicContact CZ-CD2 4.18Å; A159-L162 WeakPolarHBondContact O-CB 3.5Å; A159-L162 PolarHBondContact O-N 3.45Å; L162-M165 PolarHBondContact O-N 3.46Å; L162-A166 PolarHBondContact O-N 3.01Å
163P97.9Very high96.3Very high3 Ų343.2 Ų43.22%0.01924%0.241CC..Hα-helixtrans-63.7-45.4173.8-19.132.3000112E130 L133 H134 L137 S160 M165 A166 A167E130-P163 HydrophobicContact CG-CB 4.36Å; L133-P163 HydrophobicContact CB-CB 4.37Å; L133-P163 HydrophobicContact CB-CG 3.99Å; H134-P163 VanDerWaalsContact CD2-CB 3.47Å; H134-P163 WeakPolarHBondContact CD2-CB 3.43Å; H134-P163 VanDerWaalsContact NE2-CB 3.29Å; H134-P163 WeakPolarHBondContact NE2-CB 3.23Å; L137-P163 HydrophobicContact CD1-CG 4.29Å; S160-P163 WeakPolarHBondContact O-CD 3.47Å; P163-M165 VanDerWaalsContact C-N 3.25Å; P163-M165 PolarHBondContact O-N 3.12Å; P163-A166 CarbonylContact O-C 3.59Å; P163-A166 WeakPolarHBondContact O-CA 3.36Å; P163-A166 WeakPolarHBondContact O-CB 3.45Å; P163-A166 PolarHBondContact O-N 2.97Å; P163-A167 PolarHBondContact O-N 2.65Å
164T97.6Very high96.5Very high97 Ų9743.9 Ų43.960%0.59524%0.244SC*.Hα-helixtrans-57.9-37.1177-46.90000112.5M161 A167 G168M161-T164 WeakPolarHBondContact O-CB 3.42Å; M161-T164 PolarHBondContact O-N 2.89Å; T164-A167 WeakPolarHBondContact O-CB 3.31Å; T164-A167 PolarHBondContact O-N 2.97Å; T164-G168 PolarHBondContact O-N 2.86Å
165M98Very high96.6Very high13 Ų1345.1 Ų45.16%0.06426%0.258CS..Hα-helixtrans-72-34.4176.3-70.7167.259.400112.3L15 L18 L19 V22 M161 L162 P163L15-M165 HydrophobicContact CD1-SD 3.95Å; L18-M165 HydrophobicContact CB-CE 3.81Å; L18-M165 HydrophobicContact CD2-CE 3.53Å; L18-M165 HydrophobicContact CG-CE 3.4Å; L19-M165 HydrophobicContact CB-CE 4.34Å; L19-M165 HydrophobicContact CD2-CE 3.71Å; L19-M165 HydrophobicContact CD2-CG 3.86Å; L19-M165 HydrophobicContact CD2-SD 3.61Å; L19-M165 HydrophobicContact CG-CE 3.68Å; L19-M165 HydrophobicContact CG-SD 3.94Å; V22-M165 HydrophobicContact CG2-CB 4.46Å; V22-M165 HydrophobicContact CG2-CE 4.42Å; M161-M165 HydrophobicContact CB-SD 3.92Å; M161-M165 WeakPolarHBondContact O-CB 3.41Å; M161-M165 WeakPolarHBondContact O-CG 3.35Å; M161-M165 PolarHBondContact O-N 2.97Å; L162-M165 PolarHBondContact O-N 3.46Å; P163-M165 VanDerWaalsContact C-N 3.25Å; P163-M165 PolarHBondContact O-N 3.12Å
166A98.2Very high96.7Very high2 Ų244.1 Ų44.12%0.01725%0.252CS..Hα-helixtrans-70.3-39170.300000112.1F50 L129 E130 L133 L162 P163 G168 L169F50-A166 HydrophobicContact CZ-CB 4.4Å; L129-A166 HydrophobicContact CB-CB 4.29Å; L129-A166 HydrophobicContact CD2-CB 4.21Å; L129-A166 HydrophobicContact CG-CB 4.04Å; E130-A166 HydrophobicContact CB-CB 4.05Å; L133-A166 HydrophobicContact CD1-CB 3.88Å; L162-A166 PolarHBondContact O-N 3.01Å; P163-A166 CarbonylContact O-C 3.59Å; P163-A166 WeakPolarHBondContact O-CA 3.36Å; P163-A166 WeakPolarHBondContact O-CB 3.45Å; P163-A166 PolarHBondContact O-N 2.97Å; A166-G168 PolarHBondContact O-N 2.81Å; A166-L169 WeakPolarHBondContact O-CA 3.25Å; A166-L169 VanDerWaalsContact O-CB 3.28Å; A166-L169 WeakPolarHBondContact O-CB 3.44Å; A166-L169 PolarHBondContact O-N 3.18Å
167A97.5Very high96.9Very high31 Ų3141.6 Ų41.626%0.25624%0.243SC..Hα-helixtrans-56-39.8175.600000112.1E130 P163 T164 L169 N170E130-A167 HydrophobicContact CG-CB 4.15Å; E130-A167 WeakPolarHBondContact OE1-CB 3.28Å; E130-A167 WeakPolarHBondContact OE2-CA 3.4Å; E130-A167 WeakPolarHBondContact OE2-CB 3.38Å; P163-A167 PolarHBondContact O-N 2.65Å; T164-A167 WeakPolarHBondContact O-CB 3.31Å; T164-A167 PolarHBondContact O-N 2.97Å; A167-L169 PolarHBondContact O-N 3.22Å; A167-N170 WeakPolarHBondContact O-CB 3.42Å; A167-N170 PolarHBondContact O-N 3.14Å; A167-N170 VanDerWaalsContact O-N 3.1Å; A167-N170 PolarHBondContact O-ND2 3.19Å
168G96.3Very high97Very high23 Ų2335.6 Ų35.624%0.23722%0.216CC..THydrogen-bonded Turntrans-61.1-20174.500000114.8Q26 T164 A166 S171Q26-G168 VanDerWaalsContact NE2-C 3.33Å; Q26-G168 PolarHBondContact NE2-O 2.84Å; T164-G168 PolarHBondContact O-N 2.86Å; A166-G168 PolarHBondContact O-N 2.81Å; G168-S171 PolarHBondContact O-OG 2.86Å
169L97.1Very high97Very high4 Ų435.2 Ų35.22%0.02122%0.216CC..THydrogen-bonded Turntrans-88.4-13.5177.2-59.3169.6000113.1V22 C25 L46 F50 L124 A166 A167 S171 I172 F174V22-L169 HydrophobicContact CB-CD2 4.45Å; V22-L169 HydrophobicContact CG1-CD2 4.02Å; V22-L169 HydrophobicContact CG1-CG 4.36Å; V22-L169 HydrophobicContact CG2-CD1 4.36Å; V22-L169 HydrophobicContact CG2-CD2 4.38Å; C25-L169 HydrophobicContact CB-CD2 4.23Å; L46-L169 HydrophobicContact CD1-CD1 4.17Å; L46-L169 HydrophobicContact CD1-CD2 4.44Å; L46-L169 HydrophobicContact CD2-CD1 3.9Å; L46-L169 HydrophobicContact CD2-CD2 4.03Å; F50-L169 HydrophobicContact CE2-CD1 3.81Å; F50-L169 HydrophobicContact CZ-CD1 4.25Å; L124-L169 HydrophobicContact CD2-CD1 3.83Å; A166-L169 WeakPolarHBondContact O-CA 3.25Å; A166-L169 VanDerWaalsContact O-CB 3.28Å; A166-L169 WeakPolarHBondContact O-CB 3.44Å; A166-L169 PolarHBondContact O-N 3.18Å; A167-L169 PolarHBondContact O-N 3.22Å; L169-S171 PolarHBondContact O-N 3.42Å; L169-I172 HydrophobicContact CD2-CD1 3.95Å; L169-I172 WeakPolarHBondContact O-CB 3.31Å; L169-I172 PolarHBondContact O-N 2.97Å; L169-F174 HydrophobicContact CB-CE2 4.17Å; L169-F174 HydrophobicContact CD2-CZ 4.44Å
170N95.4Very high96.9Very high63 Ų6337 Ų3734%0.33723%0.226SC..THydrogen-bonded Turntrans-59.7-16-178.7-65.2-16.4000113.3H127 E130 A167 I172H127-N170 PolarHBondContact CE1-O 2.66Å; H127-N170 PolarHBondContact ND1-O 3.16Å; H127-N170 VanDerWaalsContact ND1-O 3.09Å; E130-N170 PolarHBondContact OE2-ND2 3.43Å; A167-N170 WeakPolarHBondContact O-CB 3.42Å; A167-N170 PolarHBondContact O-N 3.14Å; A167-N170 VanDerWaalsContact O-N 3.1Å; A167-N170 PolarHBondContact O-ND2 3.19Å; N170-I172 VanDerWaalsContact C-N 3.31Å
171S94.3Very high96.7Very high65 Ų6537 Ų3746%0.45523%0.226SC..THydrogen-bonded Turntrans-83.14.6174.966.70000115.3G31 G168 L169G31-S171 PolarHBondContact N-O 3.04Å; G168-S171 PolarHBondContact O-OG 2.86Å; L169-S171 PolarHBondContact O-N 3.42Å
172I96.8Very high96.4Very high1 Ų139.1 Ų39.11%0.00524%0.239CC..SBendtrans-119.2126.5-177.5-59.1172000109C25 Q26 F29 A36 H127 L169 N170 F174C25-I172 HydrophobicContact CB-CD1 3.88Å; Q26-I172 HydrophobicContact CG-CD1 4.45Å; F29-I172 HydrophobicContact CB-CB 4.36Å; F29-I172 HydrophobicContact CB-CD1 4.33Å; F29-I172 HydrophobicContact CB-CG1 4.03Å; F29-I172 HydrophobicContact CB-CG2 3.62Å; F29-I172 HydrophobicContact CD2-CG2 4.49Å; F29-I172 HydrophobicContact CG-CG2 4.24Å; A36-I172 HydrophobicContact CB-CG2 3.69Å; H127-I172 PolarHBondContact CE1-O 3.5Å; L169-I172 HydrophobicContact CD2-CD1 3.95Å; L169-I172 WeakPolarHBondContact O-CB 3.31Å; L169-I172 PolarHBondContact O-N 2.97Å; N170-I172 VanDerWaalsContact C-N 3.31Å; I172-F174 HydrophobicContact CB-CD2 4.23Å; I172-F174 HydrophobicContact CB-CE2 3.65Å; I172-F174 HydrophobicContact CB-CZ 3.97Å; I172-F174 HydrophobicContact CD1-CE2 4.47Å; I172-F174 HydrophobicContact CD1-CZ 4.14Å; I172-F174 HydrophobicContact CG2-CD1 4.27Å; I172-F174 HydrophobicContact CG2-CD2 3.98Å; I172-F174 HydrophobicContact CG2-CE1 3.92Å; I172-F174 HydrophobicContact CG2-CE2 3.6Å; I172-F174 HydrophobicContact CG2-CG 4.3Å; I172-F174 HydrophobicContact CG2-CZ 3.58Å; I172-F174 WeakPolarHBondContact O-CD2 3.37Å; I172-F174 PolarHBondContact O-N 3.47Å
173L96.4Very high96.1Very high92 Ų9239.6 Ų39.648%0.48224%0.241SC..  trans-81.9111.4174-63.8175.7000109.8I35 A36I35-L173 WeakPolarHBondContact CA-O 3.35Å; A36-L173 PolarHBondContact N-O 3.03Å
174F98Very high95.8Very high16 Ų1640.8 Ų40.87%0.0725%0.247CC..EExtended strand (participates in β ladder)trans-97.3137.9179.6-72.2-79.3000112.3A36 V43 L46 L124 N125 L169 I172 I176A36-F174 HydrophobicContact CB-CD1 3.55Å; A36-F174 HydrophobicContact CB-CE1 3.78Å; A36-F174 HydrophobicContact CB-CG 4.32Å; A36-F174 WeakPolarHBondContact O-CA 3.32Å; V43-F174 HydrophobicContact CG1-CD1 4.32Å; V43-F174 HydrophobicContact CG1-CE1 4.29Å; V43-F174 HydrophobicContact CG2-CE1 4.33Å; L46-F174 HydrophobicContact CD2-CE1 4.15Å; L46-F174 HydrophobicContact CD2-CZ 3.9Å; L124-F174 HydrophobicContact CB-CB 4.45Å; L124-F174 HydrophobicContact CB-CD2 4.17Å; L124-F174 HydrophobicContact CB-CG 4.2Å; L124-F174 HydrophobicContact CD2-CE2 4.25Å; N125-F174 WeakPolarHBondContact OD1-CB 3.5Å; N125-F174 PolarHBondContact OD1-O 3.39Å; L169-F174 HydrophobicContact CB-CE2 4.17Å; L169-F174 HydrophobicContact CD2-CZ 4.44Å; I172-F174 HydrophobicContact CB-CD2 4.23Å; I172-F174 HydrophobicContact CB-CE2 3.65Å; I172-F174 HydrophobicContact CB-CZ 3.97Å; I172-F174 HydrophobicContact CD1-CE2 4.47Å; I172-F174 HydrophobicContact CD1-CZ 4.14Å; I172-F174 HydrophobicContact CG2-CD1 4.27Å; I172-F174 HydrophobicContact CG2-CD2 3.98Å; I172-F174 HydrophobicContact CG2-CE1 3.92Å; I172-F174 HydrophobicContact CG2-CE2 3.6Å; I172-F174 HydrophobicContact CG2-CG 4.3Å; I172-F174 HydrophobicContact CG2-CZ 3.58Å; I172-F174 WeakPolarHBondContact O-CD2 3.37Å; I172-F174 PolarHBondContact O-N 3.47Å; F174-I176 HydrophobicContact CB-CD1 4.38Å; F174-I176 HydrophobicContact CB-CG1 4.17Å; F174-I176 HydrophobicContact CD1-CD1 3.79Å; F174-I176 HydrophobicContact CD1-CG1 4.04Å; F174-I176 HydrophobicContact CE1-CD1 4.47Å; F174-I176 HydrophobicContact CG-CD1 4.34Å
175A97.7Very high94.8Very high50 Ų5037.2 Ų37.241%0.41323%0.23SC..EExtended strand (participates in β ladder)trans-135.763.3169.600000109.8I35 A36I35-A175 HydrophobicContact CG2-CB 3.36Å; A36-A175 PolarHBondContact O-N 3.42Å
176I97.8Very high92.7Very high4 Ų441.5 Ų41.52%0.02127%0.267CS..  trans-85.9130.5-178.9-42.1174.1000108.8D38 V43 R121 L124 N125 F174 I178D38-I176 HydrophobicContact CB-CG2 3.73Å; V43-I176 HydrophobicContact CG1-CD1 3.56Å; V43-I176 HydrophobicContact CG1-CG1 3.77Å; R121-I176 HydrophobicContact CB-CB 4.17Å; R121-I176 HydrophobicContact CB-CG2 4.16Å; R121-I176 HydrophobicContact CG-CB 4.27Å; R121-I176 HydrophobicContact CG-CG2 3.72Å; L124-I176 HydrophobicContact CB-CD1 4.08Å; L124-I176 HydrophobicContact CD1-CD1 3.81Å; N125-I176 PolarHBondContact ND2-O 2.99Å; N125-I176 WeakPolarHBondContact OD1-CG1 3.34Å; N125-I176 PolarHBondContact OD1-N 2.96Å; F174-I176 HydrophobicContact CB-CD1 4.38Å; F174-I176 HydrophobicContact CB-CG1 4.17Å; F174-I176 HydrophobicContact CD1-CD1 3.79Å; F174-I176 HydrophobicContact CD1-CG1 4.04Å; F174-I176 HydrophobicContact CE1-CD1 4.47Å; F174-I176 HydrophobicContact CG-CD1 4.34Å; I176-I178 PolarHBondContact O-N 3.24Å
177N97.1Very high89.6Confident75 Ų7545 Ų4540%0.40130%0.296SS..  trans-62.5127.4178.2-176.47000111.5D38 R121 D179D38-N177 VanDerWaalsContact OD2-CB 3.27Å; D38-N177 WeakPolarHBondContact OD2-CB 3.47Å; R121-N177 WeakPolarHBondContact CD-O 3.45Å; N177-D179 PolarHBondContact OD1-N 3.31Å
178I96.8Very high86.8Confident30 Ų3050 Ų5015%0.15433%0.326CS..SBendtrans-96.6-12.7-179.168.4170.9000114.3L106 I109 A118 R121 C122 I176L106-I178 HydrophobicContact CD2-CD1 4.36Å; I109-I178 WeakPolarHBondContact CD1-O 3.39Å; A118-I178 VanDerWaalsContact CB-O 3.23Å; A118-I178 WeakPolarHBondContact CB-O 3.48Å; R121-I178 HydrophobicContact CB-CG2 3.98Å; C122-I178 HydrophobicContact CB-CG2 4.17Å; I176-I178 PolarHBondContact O-N 3.24Å
179D96.1Very high83.9Confident31 Ų3159.5 Ų59.517%0.16635%0.354CS..  trans-12469.5-174.4-161.84.2000111.5L106 R107 H108 N177L106-D179 HydrophobicContact CD2-CB 4.26Å; R107-D179 PolarHBondContact N-OD1 3.34Å; R107-D179 PolarHBondContact N-OD2 3.24Å; H108-D179 WeakPolarHBondContact CB-OD1 3.37Å; H108-D179 IonicContact CG-OD1 3.84Å; H108-D179 PolarHBondContact N-OD1 2.91Å; H108-D179 PolarHBondContact ND1-O 3.07Å; H108-D179 IonicContact ND1-OD1 3.92Å; N177-D179 PolarHBondContact OD1-N 3.31Å
180N93.6Very high80.7Confident39 Ų3963 Ų6321%0.20939%0.392CS..  trans-121.9135.4177.3176.6-7.1000110D182 L183N180-D182 VanDerWaalsContact C-N 3.27Å; N180-D182 PolarHBondContact ND2-OD2 3.03Å; N180-D182 PolarHBondContact O-N 3.38Å; N180-D182 WeakPolarHBondContact OD1-CB 3.39Å; N180-D182 PolarHBondContact OD1-N 3.41Å; N180-D182 PolarHBondContact OD1-OD2 3.37Å; N180-L183 HydrophobicContact CB-CG 4.2Å; N180-L183 WeakPolarHBondContact O-CB 3.47Å; N180-L183 WeakPolarHBondContact O-CG 3.24Å; N180-L183 PolarHBondContact O-N 2.97Å
181S93.6Very high78.1Confident69 Ų6964.4 Ų64.448%0.48342%0.421SS..G310 helixtrans-55.6-33.6174.842.20000114.6H108 L183 N184H108-S181 WeakPolarHBondContact O-CA 3.43Å; S181-L183 PolarHBondContact O-N 3.49Å; S181-L183 VanDerWaalsContact O-N 3.14Å; S181-N184 WeakPolarHBondContact O-CB 3.4Å; S181-N184 PolarHBondContact O-N 3.18Å; S181-N184 VanDerWaalsContact O-N 3.12Å; S181-N184 PolarHBondContact O-ND2 2.84Å
182D90.8Very high75Confident113 Ų11364.8 Ų64.860%0.60444%0.435SS*.G310 helixtrans-62.6-23.4-179.1-54-28.6000112.1N180 N184N180-D182 VanDerWaalsContact C-N 3.27Å; N180-D182 PolarHBondContact ND2-OD2 3.03Å; N180-D182 PolarHBondContact O-N 3.38Å; N180-D182 WeakPolarHBondContact OD1-CB 3.39Å; N180-D182 PolarHBondContact OD1-N 3.41Å; N180-D182 PolarHBondContact OD1-OD2 3.37Å; D182-N184 PolarHBondContact O-N 3.01Å
183L92.1Very high72.1Confident10 Ų1068.5 Ų68.55%0.05246%0.461CS..G310 helixtrans-67-25.7179.5-55.6-167000111.8I109 G114 R117 A118 N180 S181 G185I109-L183 HydrophobicContact CD1-CB 4.31Å; I109-L183 HydrophobicContact CD1-CD1 4.05Å; G114-L183 VanDerWaalsContact CA-O 3.29Å; G114-L183 WeakPolarHBondContact CA-O 3.39Å; R117-L183 HydrophobicContact CB-CB 4.08Å; R117-L183 HydrophobicContact CB-CD1 4.46Å; R117-L183 WeakPolarHBondContact CD-O 3.14Å; R117-L183 PolarHBondContact NH1-O 2.82Å; A118-L183 HydrophobicContact CB-CD1 4.43Å; N180-L183 HydrophobicContact CB-CG 4.2Å; N180-L183 WeakPolarHBondContact O-CB 3.47Å; N180-L183 WeakPolarHBondContact O-CG 3.24Å; N180-L183 PolarHBondContact O-N 2.97Å; S181-L183 PolarHBondContact O-N 3.49Å; S181-L183 VanDerWaalsContact O-N 3.14Å; L183-G185 PolarHBondContact O-N 2.79Å
184N90.5Very high69.2Low29 Ų2967.5 Ų67.516%0.15546%0.462CS..G310 helixtrans-60.7-14-175.8-68.6-64.9000115.2H108 I109 S110 S111 S181 D182H108-N184 PolarHBondContact O-ND2 3.22Å; I109-N184 WeakPolarHBondContact CA-OD1 3.44Å; S110-N184 PolarHBondContact N-OD1 3.23Å; S110-N184 PolarHBondContact OG-OD1 3.42Å; S111-N184 PolarHBondContact N-OD1 2.87Å; S111-N184 WeakPolarHBondContact OG-CA 3.48Å; S111-N184 PolarHBondContact OG-O 2.9Å; S181-N184 WeakPolarHBondContact O-CB 3.4Å; S181-N184 PolarHBondContact O-N 3.18Å; S181-N184 VanDerWaalsContact O-N 3.12Å; S181-N184 PolarHBondContact O-ND2 2.84Å; D182-N184 PolarHBondContact O-N 3.01Å
185G77.7Confident67Low22 Ų2271.5 Ų71.523%0.22749%0.488CS..  trans105.6152.1-164.400000109.2L183 A187L183-G185 PolarHBondContact O-N 2.79Å; G185-A187 PolarHBondContact O-N 2.94Å
186A52.8Low64.4Low102 Ų10272.9 Ų72.984%0.84349%0.494SS*.  trans-60.1122.9-17900000110
187A34.6Very low61.6Low77 Ų7775.4 Ų75.464%0.63651%0.512SS*.  trans-58136.8171.200000108.9G185 R189G185-A187 PolarHBondContact O-N 2.94Å; A187-R189 PolarHBondContact O-N 3.47Å
188P38.3Very low59Low134 Ų13476.8 Ų76.887%0.8752%0.519SS*.SBendtrans-77.858-176.431.8-36.2000112.2
189R34.1Very low56.5Low223 Ų22380.9 Ų80.984%0.84254%0.54SS*.SBendtrans-147.2126.3173.1-75.6-173.3168.1171-7.2109.3A187A187-R189 PolarHBondContact O-N 3.47Å
190G30.3Very low54.2Low78 Ų7886 Ų8680%0.80456%0.561SS**SBendtrans88.3136.717900000113.8G192G190-G192 PolarHBondContact O-N 2.85Å
191G40.9Very low51.6Low92 Ų9291 Ų9195%0.94858%0.583SS**  trans-81.596.1-178.300000112.7
192G29.5Very low48.8Very low73 Ų7391.9 Ų91.975%0.75359%0.589SS**  trans-89.3120.8167.800000111.4G190 S194G190-G192 PolarHBondContact O-N 2.85Å; G192-S194 PolarHBondContact O-N 2.92Å
193S36.3Very low46.7Very low79 Ų7991.4 Ų91.455%0.55259%0.591SS**  trans-66.4114.6-178.9-1740000111.8V195 L198S193-V195 PolarHBondContact O-N 3.32Å; S193-L198 WeakPolarHBondContact OG-CD1 3.45Å
194S35.8Very low44.7Very low72 Ų7297.9 Ų97.950%0.50362%0.621SS.*  trans-74.2124.5163.5-175.10000108.5G192 S196 S197G192-S194 PolarHBondContact O-N 2.92Å; S194-S196 PolarHBondContact O-N 3.35Å; S194-S197 PolarHBondContact O-N 3.02Å; S194-S197 PolarHBondContact O-OG 3.4Å
195V50.4Low42.6Very low100 Ų10099.2 Ų99.261%0.60664%0.642SS**Hα-helixtrans-56.1-20.3177.5-168.30000112.2S193 S197 L199S193-V195 PolarHBondContact O-N 3.32Å; V195-S197 PolarHBondContact O-N 2.94Å; V195-L199 HydrophobicContact CG1-CD1 4.15Å; V195-L199 HydrophobicContact CG1-CG 4.41Å; V195-L199 WeakPolarHBondContact O-CG 3.46Å; V195-L199 PolarHBondContact O-N 3.48Å
196S42.7Very low41Very low78 Ų78103.9 Ų103.955%0.54566%0.66SS.*Hα-helixtrans-70.6-16.4172.9-65.80000115.7S194 K200S194-S196 PolarHBondContact O-N 3.35Å; S196-K200 WeakPolarHBondContact O-CD 3.22Å; S196-K200 WeakPolarHBondContact O-CG 3.45Å
197S39.5Very low40.6Very low57 Ų57101.7 Ų101.740%0.39965%0.647SS.*Hα-helixtrans-86.8-48.5170.358.40000111.1S194 V195 L199 K200 E201S194-S197 PolarHBondContact O-N 3.02Å; S194-S197 PolarHBondContact O-OG 3.4Å; V195-S197 PolarHBondContact O-N 2.94Å; S197-L199 VanDerWaalsContact C-N 3.3Å; S197-L199 PolarHBondContact O-N 3.21Å; S197-K200 WeakPolarHBondContact O-CA 3.41Å; S197-K200 WeakPolarHBondContact O-CB 3.5Å; S197-K200 PolarHBondContact O-N 3.21Å; S197-E201 PolarHBondContact O-N 2.77Å
198L42.4Very low40.9Very low104 Ų104101.6 Ų101.655%0.54564%0.642SS.*Hα-helixtrans-54.6-42.5178.9-73.8172.6000112.8S193 K200 E201 S202S193-L198 WeakPolarHBondContact OG-CD1 3.45Å; L198-K200 VanDerWaalsContact C-N 3.34Å; L198-K200 PolarHBondContact O-N 3.37Å; L198-E201 PolarHBondContact O-N 2.87Å; L198-S202 VanDerWaalsContact O-CB 3.26Å; L198-S202 WeakPolarHBondContact O-CB 3.38Å; L198-S202 PolarHBondContact O-N 3.14Å
199L45.5Very low41.2Very low116 Ų116102.5 Ų102.561%0.60764%0.639SS**Hα-helixtrans-71-25.9177.2-68.2174.3000113.7V195 S197 T203V195-L199 HydrophobicContact CG1-CD1 4.15Å; V195-L199 HydrophobicContact CG1-CG 4.41Å; V195-L199 WeakPolarHBondContact O-CG 3.46Å; V195-L199 PolarHBondContact O-N 3.48Å; S197-L199 VanDerWaalsContact C-N 3.3Å; S197-L199 PolarHBondContact O-N 3.21Å; L199-T203 PolarHBondContact O-OG1 3.32Å
200K46.8Very low41.8Very low139 Ų13998.8 Ų98.860%0.60464%0.635SS**Hα-helixtrans-74.7-48.3172.1-75.6176.9-178.7175.80110.8S196 S197 L198 S202 T203 Q204S196-K200 WeakPolarHBondContact O-CD 3.22Å; S196-K200 WeakPolarHBondContact O-CG 3.45Å; S197-K200 WeakPolarHBondContact O-CA 3.41Å; S197-K200 WeakPolarHBondContact O-CB 3.5Å; S197-K200 PolarHBondContact O-N 3.21Å; L198-K200 VanDerWaalsContact C-N 3.34Å; L198-K200 PolarHBondContact O-N 3.37Å; K200-S202 PolarHBondContact O-N 3.14Å; K200-T203 PolarHBondContact O-N 3.02Å; K200-Q204 WeakPolarHBondContact O-CG 3.38Å; K200-Q204 PolarHBondContact O-N 2.99Å
201E39.9Very low42.5Very low144 Ų144103.1 Ų103.167%0.67363%0.632SS**Hα-helixtrans-62.9-44.4-177.6-158.2164.3136.800111.6S197 L198 T203 Q204S197-E201 PolarHBondContact O-N 2.77Å; L198-E201 PolarHBondContact O-N 2.87Å; E201-T203 PolarHBondContact O-N 2.93Å; E201-T203 VanDerWaalsContact O-N 3.13Å; E201-Q204 PolarHBondContact O-N 3.23Å; E201-Q204 VanDerWaalsContact O-N 3.09Å
202S34.2Very low42.8Very low87 Ų87106.8 Ų106.861%0.60862%0.624SS**Hα-helixtrans-58.5-25.6173.7-179.30000113.7L198 K200L198-S202 VanDerWaalsContact O-CB 3.26Å; L198-S202 WeakPolarHBondContact O-CB 3.38Å; L198-S202 PolarHBondContact O-N 3.14Å; K200-S202 PolarHBondContact O-N 3.14Å
203T46.9Very low43.3Very low104 Ų104108.1 Ų108.164%0.63862%0.622SS**Hα-helixtrans-93.4-22.2178.2-47.50000112.7L199 K200 E201L199-T203 PolarHBondContact O-OG1 3.32Å; K200-T203 PolarHBondContact O-N 3.02Å; E201-T203 PolarHBondContact O-N 2.93Å; E201-T203 VanDerWaalsContact O-N 3.13Å
204Q49.6Very low43.9Very low146 Ų146109.3 Ų109.368%0.68263%0.626SS**Hα-helixtrans-80.7-23.8-176.6-75.8-179.1-89.100114.1K200 E201K200-Q204 WeakPolarHBondContact O-CG 3.38Å; K200-Q204 PolarHBondContact O-N 2.99Å; E201-Q204 PolarHBondContact O-N 3.23Å; E201-Q204 VanDerWaalsContact O-N 3.09Å
205G46.4Very low44.3Very low57 Ų57115 Ų11559%0.58864%0.644SS**THydrogen-bonded Turntrans-70.1-35.1177.900000114.9
206I44.2Very low44.1Very low119 Ų119113.3 Ų113.361%0.6165%0.647SS**Hα-helixtrans-85.3-29.2-169.1-53.8177.2000112S208I206-S208 VanDerWaalsContact C-N 3.28Å; I206-S208 PolarHBondContact O-N 3.44Å
207G44.7Very low43.9Very low56 Ų56114.7 Ų114.758%0.57765%0.653SS**Hα-helixtrans-69.4-18.1-179.100000115.4
208S41.1Very low44.1Very low76 Ų76117.1 Ų117.153%0.53167%0.669SS.*Hα-helixtrans-81.6-46.3179-154.40000112I206 L210 K211I206-S208 VanDerWaalsContact C-N 3.28Å; I206-S208 PolarHBondContact O-N 3.44Å; S208-L210 VanDerWaalsContact C-N 3.27Å; S208-L210 PolarHBondContact O-N 3.14Å; S208-K211 PolarHBondContact O-N 3.43Å
209L43.2Very low44Very low152 Ų152116.7 Ų116.780%0.79668%0.675SS**Hα-helixtrans-65.2-28.6-170.7-150.388.2000113.6K211L209-K211 VanDerWaalsContact C-N 3.33Å
210L47.3Very low43.8Very low146 Ų146116.7 Ų116.776%0.76468%0.675SS**THydrogen-bonded Turntrans-83.2-3.5178.3-89.2157.2000114.2S208S208-L210 VanDerWaalsContact C-N 3.27Å; S208-L210 PolarHBondContact O-N 3.14Å
211K45.7Very low43.5Very low169 Ų169117.2 Ų117.274%0.73568%0.684SS**THydrogen-bonded Turntrans-105.2-15179.7-142.1171.6-174.3178.90113.8S208 L209S208-K211 PolarHBondContact O-N 3.43Å; L209-K211 VanDerWaalsContact C-N 3.33Å
212E45.8Very low43.9Very low169 Ų169120.9 Ų120.979%0.7969%0.691SS**SBendtrans-100.227.9-177.5-151.2171.6127.800113
213S41.4Very low44.1Very low101 Ų101123.9 Ų123.971%0.70670%0.696SS**SBendtrans-124.4-8.3-176.5-164.90000114.6
214T47.6Very low43.9Very low103 Ų103125.4 Ų125.463%0.63270%0.699SS**SBendtrans-114.3-8.3-17853.10000114.9G216T214-G216 PolarHBondContact O-N 3.07Å
215Q45.4Very low43.2Very low191 Ų191123.4 Ų123.489%0.89370%0.7SS**THydrogen-bonded Turntrans-80.357.9171.4-68.9-165.6-5400112.2
216G46.3Very low42.6Very low65 Ų65126.8 Ų126.867%0.6771%0.71SS**THydrogen-bonded Turntrans-142.1-11.9-177.400000116.8T214T214-G216 PolarHBondContact O-N 3.07Å
217V38.8Very low41.8Very low108 Ų108125.6 Ų125.666%0.65572%0.718SS**SBendtrans-127.4-12.6-169.8-131.30000115.1
218S43.5Very low41.3Very low107 Ų107130.1 Ų130.175%0.74874%0.735SS**SBendtrans-86.8-7.1-175-52.40000115.2
219S40Very low40.7Very low95 Ų95130.8 Ų130.866%0.66474%0.744SS**SBendtrans-84.5-39.4-179.2-153.10000112.9L221 R222S219-L221 PolarHBondContact O-N 3.48Å; S219-L221 VanDerWaalsContact O-N 3.13Å; S219-R222 PolarHBondContact O-N 2.91Å
220L40.4Very low40.1Very low117 Ų117129.9 Ų129.961%0.61375%0.745SS**THydrogen-bonded Turntrans-67.6-14.2-173.8-81167.5000114.9
221L41.9Very low39.3Very low149 Ų149129 Ų12978%0.7875%0.746SS**THydrogen-bonded Turntrans-99.23.4178.5-66.4177.4000114S219S219-L221 PolarHBondContact O-N 3.48Å; S219-L221 VanDerWaalsContact O-N 3.13Å
222R47.6Very low39Very low222 Ų222127 Ų12784%0.83875%0.75SS**SBendtrans-104.7-5.1171.8-165.3169.6-72.8-160-1.4113.3S219S219-R222 PolarHBondContact O-N 2.91Å
223E38.4Very low38Very low150 Ų150122.6 Ų122.670%0.70175%0.749SS**SBendtrans-101.1-19.7-174.6-131.8163.7-169.900113.7S225E223-S225 PolarHBondContact O-N 3.37Å
224I41.5Very low37.4Very low136 Ų136127.3 Ų127.370%0.69776%0.758SS**THydrogen-bonded Turntrans-96.633.3-174.8-40.1178.2000111.6
225S37Very low36.6Very low103 Ų103128.5 Ų128.572%0.7277%0.765SS**THydrogen-bonded Turntrans-143.811-174.8-67.20000116.7E223E223-S225 PolarHBondContact O-N 3.37Å
226T32.2Very low36.8Very low128 Ų128125.1 Ų125.179%0.78576%0.759SS**SBendtrans-149.180.1172.5500000113.6
227A28.8Very low36Very low95 Ų95131.6 Ų131.679%0.78577%0.769SS**  trans-174.987.6153.800000113.6
228T32.5Very low36.8Very low151 Ų151130.7 Ų130.793%0.92677%0.766SS**  trans-160146.2151.5-83.80000110.9
229A29.2Very low36.1Very low89 Ų89132.9 Ų132.974%0.73677%0.769SS**  trans-62.8170.9-174.800000116.5
230V30.4Very low35.5Very low133 Ų133132.6 Ų132.681%0.80677%0.772SS**  cis-173.7177.2-34.687.50000108.2
231V31.4Very low35.1Very low129 Ų129133 Ų13378%0.78279%0.785SS**  trans86134.6177.3-1670000116.5
232P38.5Very low34.9Very low127 Ų127132.7 Ų132.783%0.82578%0.784SS**  trans-113.1172.2-176.942.4-34.7000116
233G26.1Very low35.2Very low75 Ų75127.3 Ų127.377%0.77378%0.778SS**  trans-159.6159.8170.800000112.6
234F28.5Very low35.2Very low201 Ų201127.4 Ų127.488%0.88278%0.782SS**  trans-129.9152.3-164.5-120.6-96.1000114.4
235T31Very low35.3Very low127 Ų127126.5 Ų126.578%0.77979%0.785SS**  trans70.5141.6167.867.60000120.3
236P49.2Very low35.1Very low120 Ų120128.1 Ų128.178%0.77979%0.791SS**  trans-117.9153.4172.940.3-31.1000114.9
237K30.2Very low35.4Very low201 Ų201129.6 Ų129.687%0.87479%0.793SS**  trans177.7165.9158.9-108.5-165.5168.5-169.80110.7
238P55.5Low36Very low90 Ų90130.1 Ų130.158%0.58479%0.788SS**  -139.4-161.9-61.134.7-11.5000113.9
239D27.2Very low35.9Very low153 Ų153133.4 Ų133.482%0.81878%0.784SS**  trans86.6153.6152-59.4-22.2000122.3
240A28.5Very low36Very low89 Ų89134.5 Ų134.574%0.73679%0.786SS**  trans84.192.1159.200000122.2
241S31.7Very low36Very low126 Ų126132.4 Ų132.488%0.88178%0.782SS**  93.8141.9122.8-570000123.5
242D37.7Very low35.9Very low142 Ų142132 Ų13276%0.75979%0.785SS**  trans-71172.8173.8-14336.3000112.1
243P53.8Low35.7Very low108 Ų108130.3 Ų130.370%0.70178%0.782SS**  cis-141.2175.217.743.4-23.5000119.8
244L38.9Very low35.8Very low153 Ų153133.8 Ų133.880%0.80178%0.783SS**  trans-68.2165.9173-66.7170000114.5
245P43.3Very low36.1Very low116 Ų116129.1 Ų129.175%0.75378%0.775SS**  -138.4141.4121.615.36.6000117.2
246V32Very low36.1Very low138 Ų138126.8 Ų126.884%0.83678%0.776SS**  trans75.2107.8142.7-178.90000120.6
247L38.1Very low35.4Very low159 Ų159128.9 Ų128.983%0.83278%0.78SS**  trans-72.1157.6155.8-78.4171.2000111.2
248P41.9Very low35.4Very low106 Ų106130.8 Ų130.869%0.68878%0.782SS**  -150.1-174.45845.4-24.5000115.3
249R30.7Very low34.2Very low220 Ų220135.1 Ų135.183%0.8379%0.791SS**  cis-155.7142.514.5-147.9162.9-162.9157.83.1112.3
250S31Very low34.4Very low111 Ų111133.7 Ų133.778%0.77678%0.78SS**  trans41.7117.915256.30000120.9
251A30.2Very low34.8Very low89 Ų89141.2 Ų141.274%0.73679%0.789SS**  trans-93.3178.4158.700000111.8
252S29.5Very low35.3Very low120 Ų120145 Ų14584%0.83978%0.784SS**  trans63.7160.2166.471.90000118.1
253A35.1Very low35.4Very low92 Ų92150.1 Ų150.176%0.7679%0.793SS**  cis-169.7174-32.100000108.8
254D28.5Very low34.7Very low149 Ų149156.7 Ų156.780%0.79780%0.804SS**  trans79.3159.4152.7-160.444.2000121
255S33.7Very low35.3Very low103 Ų103159.5 Ų159.572%0.7281%0.809SS**  trans-4.8159.3168.969.70000123.1
256G31.9Very low34.9Very low77 Ų77162 Ų16279%0.79481%0.808SS**  trans157.686.3163.200000118.2
257L33Very low35.6Very low164 Ų164162.7 Ų162.786%0.85981%0.806SS**  trans-50.2153.7176.5-66.7161.9000118.6
258R30.7Very low35.6Very low241 Ų241159.2 Ų159.291%0.90979%0.791SS**  trans69.7155.6159.2-65.9170.2162-160-5.9115.6
259K31.6Very low35.3Very low182 Ų182161 Ų16179%0.79180%0.795SS**  cis-161.3129.231-171.3168.1179.2178.80114.6
260E30.9Very low36.3Very low123 Ų123158.5 Ų158.558%0.57580%0.796SS**  trans29127.4143.9-174.3-178.4-163.500122.4R262E260-R262 IonicContact OE1-NE 2.96Å; E260-R262 IonicContact OE1-NH2 2.66Å
261R36.8Very low36.9Very low246 Ų246160.6 Ų160.693%0.92880%0.797SS**  -163.4141.1123.6-107.6159.871.2155.9-1115.9
262R42Very low37.2Very low206 Ų206161.3 Ų161.378%0.77780%0.797SS**  trans-80.6153-168.4-50.3163.4-177.4-171.8-8.3114.1E260E260-R262 IonicContact OE1-NE 2.96Å; E260-R262 IonicContact OE1-NH2 2.66Å
263R40Very low37.7Very low250 Ų250165.3 Ų165.394%0.94380%0.799SS**  -179.8125.7118.3-96.7161.9-172.1-138.90.5116.1
264R39.5Very low37.7Very low246 Ų246168.1 Ų168.193%0.92880%0.802SS**  trans-4.7149.3154.8-73.1176.3170.5-173.4-5.2119.7
265K49.9Very low38.3Very low211 Ų211167.9 Ų167.992%0.91780%0.8SS**  -136.1-145.953.8-150.7-174.8-178.9-175.30115
266K36.4Very low38.6Very low169 Ų169170.7 Ų170.774%0.73581%0.807SS**  trans-153.2143-175.9176.3-179.7177.2178.20111.7T268K266-T268 HydrophobicContact CG-CG2 4.42Å
267I45.1Very low39.4Very low153 Ų153175.4 Ų175.479%0.78581%0.813SS**  trans-139.9120.5157.1-76.1174.8000103.6
268T40Very low40Very low85 Ų85175.5 Ų175.552%0.52182%0.815SS.*  cis72.2109.247.565.90000113.8K266K266-T268 HydrophobicContact CG-CG2 4.42Å
269N34.8Very low40.4Very low145 Ų145167.1 Ų167.178%0.77580%0.803SS**  cis-145149.16.8-69.9-31.8000111
270I51.3Low40.8Very low167 Ų167162.3 Ų162.386%0.85681%0.806SS**  trans-132.9144150.6-64.2-177.6000106.1
271I43.9Very low41.3Very low155 Ų155160.2 Ų160.280%0.79581%0.809SS**  trans-92123.1177.9-60.2168.7000108.3
272S36.5Very low41.8Very low103 Ų103156.7 Ų156.772%0.7280%0.803SS**  trans-127.1142163.151.70000107.7
273F39.3Very low41.6Very low204 Ų204154.1 Ų154.190%0.89581%0.805SS**  trans-71.1156.2173.7-106-112.1000110.9
274D35.6Very low41.8Very low152 Ų152151.1 Ų151.181%0.81380%0.801SS**  trans-143.4109.6-169.8-158.2-72.3000105.5
275D41.3Very low41.8Very low143 Ų143148.1 Ų148.177%0.76580%0.798SS**  trans-161.973.1179-157.713.8000110.8
276D40.8Very low41.1Very low163 Ų163145.6 Ų145.687%0.87280%0.795SS**  trans-134120.7164.8-90.9-52.5000107.1
277L47Very low41Very low175 Ų175141.1 Ų141.192%0.91680%0.796SS**  trans-93.9145.7-179.3-81.5174000112.8
278D47.3Very low40.6Very low167 Ų167141.8 Ų141.889%0.89380%0.801SS**  trans-97.2162.9-162.1179.237.7000114.5
279G38.8Very low40.3Very low65 Ų65146.3 Ų146.367%0.6782%0.816SS**  trans93.1118.5172.700000114.2
280G39.3Very low40Very low81 Ų81146.5 Ų146.584%0.83581%0.813SS**  cis98.8141.114.400000111.4
281A42Very low39.5Very low78 Ų78142.4 Ų142.465%0.64580%0.804SS**  cis-158.6179.8-0.100000110.4
282E46.1Very low39Very low172 Ų172143.9 Ų143.980%0.80481%0.805SS**  trans40.2140.5140.1-67.1150.7-143.900120.2
283D38.6Very low38.5Very low152 Ų152143.6 Ų143.681%0.81381%0.808SS**  cis-160.2-169.45-120.2-4.9000110.8
284E44.6Very low38.1Very low187 Ų187145.5 Ų145.587%0.87481%0.809SS**  trans-90.4174.7-168.6-59.6-162.4164.400118.1
285E38.7Very low37.8Very low183 Ų183142.9 Ų142.986%0.85580%0.803SS**  trans101.5154.5147-150.2160.8-14100120.3
286D36.5Very low37.4Very low159 Ų159146.6 Ų146.685%0.8581%0.806SS**  trans67.8110.3176.5-85.9-24000122.1
287G33.8Very low37.1Very low74 Ų74149.5 Ų149.576%0.76381%0.805SS**  97.7111.6113.400000119.9
288D35.9Very low36.3Very low168 Ų168146.8 Ų146.890%0.89880%0.8SS**  trans-65.1145.1164.6-62.7-76.3000113
289E33.4Very low35.5Very low179 Ų179143.3 Ų143.384%0.83680%0.795SS**  trans-166.9168.1146.9-110.5-62.1125.600113.4
290E29.5Very low35.9Very low149 Ų149146.2 Ų146.270%0.69680%0.802SS**  trans-49.6152.4-158.5-157.9-174.7142.400120.3K292E290-K292 IonicContact OE1-NZ 3.22Å; E290-K292 PolarHBondContact OE1-NZ 3.39Å
291A39.8Very low35.5Very low81 Ų81147 Ų14767%0.66980%0.801SS**  trans-96.2132.4177.800000115.8
292K34.3Very low35.1Very low187 Ų187151.9 Ų151.981%0.81381%0.81SS**  trans176.1122.6145.1-95147.7-151.6137.40115E290E290-K292 IonicContact OE1-NZ 3.22Å; E290-K292 PolarHBondContact OE1-NZ 3.39Å
293A26.7Very low34.5Very low96 Ų96148.4 Ų148.479%0.79380%0.804SS**  trans-161.6139.4148.800000107.6
294R30.1Very low34.1Very low245 Ų245145.6 Ų145.693%0.92580%0.797SS**  cis63.213729.3-72.8-174167.7-172.6-1.3115
295S28.6Very low33.7Very low96 Ų96142.5 Ų142.567%0.67179%0.791SS**  cis-177152.5-20.8-166.80000109.9
296R34.5Very low33.5Very low222 Ų222141.1 Ų141.184%0.83878%0.784SS**  trans73.9155.2167.7-46.9177177.2-174.2-6.9115.4
297R33.5Very low33.4Very low224 Ų224142.1 Ų142.185%0.84578%0.784SS**  cis-119.4178.8-3.3-84.1101.8173.5-81.41.3108.9
298S30.6Very low33.2Very low117 Ų117141.6 Ų141.682%0.81878%0.778SS**  cis-155.4165.518.3-12.90000112.4
299A30.9Very low33Very low94 Ų94142 Ų14278%0.77778%0.778SS**  trans-99-171.7167.800000110.1
300P47.5Very low32.9Very low127 Ų127140.3 Ų140.383%0.82578%0.775SS**  cis-117.5-170.718.444.2-29.1000113.2
301A30.6Very low34Very low97 Ų97137.6 Ų137.680%0.80277%0.771SS**  cis-144.3-171.213.400000113.7
302Q32.5Very low33.7Very low181 Ų181140.6 Ų140.685%0.84678%0.775SS**  trans-91.2133.7-162.5-56.3-169.9-9700113.4
303S33Very low33.6Very low98 Ų98140 Ų14069%0.68578%0.775SS**  87.5153.487.1910000113.6
304S30.2Very low34.9Very low94 Ų94140.9 Ų140.966%0.65777%0.772SS**  cis-149.9148.627.8-52.50000114.6
305V36.8Very low35.7Very low122 Ų122134.9 Ų134.974%0.73977%0.765SS**  57.5132.9125.3171.50000119.4
306E35.3Very low35.9Very low154 Ų154138 Ų13872%0.7277%0.774SS**  cis-149.5145.7-7.3-111.8166.4-16700106.6
307E34.4Very low35.8Very low179 Ų179133.8 Ų133.884%0.83678%0.778SS**  55.412986.5-156.8167-146.700114.6
308G29.1Very low35.5Very low63 Ų63126.2 Ų126.265%0.64977%0.77SS**  cis171.2-165.8-4.300000112.8
309I32.5Very low35.5Very low176 Ų176126.5 Ų126.590%0.90377%0.772SS**  trans96.7117167.3-53.6169.6000117.5
310D31Very low36.4Very low144 Ų144127.7 Ų127.777%0.7777%0.771SS**  trans-112.1-171.4165.5-152.824.9000106.2
311P52.1Low35.8Very low93 Ų93125.9 Ų125.960%0.60477%0.767SS**  cis-143.11740.237.4-14.3000118.8
312L34.3Very low36Very low143 Ų143130.2 Ų130.275%0.74977%0.771SS**  trans69.7111.3146.8-74159.7000124
313Q31.6Very low36Very low175 Ų175129.1 Ų129.182%0.81877%0.771SS**  trans41.4158.7130.6-67.2-172.2-2.700122.9
314P53.5Low35.9Very low114 Ų114127.7 Ų127.774%0.7477%0.772SS**  cis-124.9-1401.441.6-20.9000110.7
315P47.6Very low36.2Very low119 Ų119130.2 Ų130.277%0.77378%0.783SS**  cis-130.1-95.3-1634-10.3000116.7
316L33.3Very low36.9Very low163 Ų163130 Ų13085%0.85378%0.784SS**  trans-146.2148.6-158-70.7175.1000116.2
317S30.6Very low36.9Very low132 Ų132130.5 Ų130.592%0.92379%0.786SS**  trans-172.3168.6165.4-79.80000109.9
318G28.1Very low37.6Very low66 Ų66127.8 Ų127.868%0.6878%0.784SS**  cis178.5167.7-2.700000112.6
319S30.8Very low37.7Very low122 Ų122127.7 Ų127.785%0.85378%0.783SS**  trans-170167.8176.4-82.80000109
320P50.6Low37.6Very low119 Ų119127.2 Ų127.277%0.77378%0.782SS**  cis-146.7174.323.844-23.9000119.9
321A34.5Very low37.8Very low89 Ų89124.9 Ų124.974%0.73678%0.783SS**  trans42.5135.2142.600000125.9
322Q34Very low36.6Very low189 Ų189123.3 Ų123.388%0.88378%0.783SS**  trans-172175.4131.3-109.2173.278.800116.2
323N32.6Very low36.3Very low158 Ų158128.9 Ų128.985%0.84580%0.795SS**  trans-74.5175.3-170.1-41.3-51.6000115
324G30.4Very low36.4Very low68 Ų68127.3 Ų127.370%0.70180%0.797SS**  cis146.5139-10.100000115.3
325V36.4Very low35.1Very low146 Ų146125.2 Ų125.289%0.88580%0.795SS**  trans72.3157.4163.5171.60000116.4
326P51.5Low34.4Very low118 Ų118125.4 Ų125.477%0.76680%0.8SS**  cis-131.6177.36.1251.2000120.8
327E35.8Very low35.1Very low165 Ų165123.7 Ų123.777%0.77180%0.799SS**  trans-43.9-178.9150-94.4-86.4110.600116.8G329E327-G329 PolarHBondContact OE2-N 2.83Å
328P49.9Very low35.2Very low122 Ų122128.5 Ų128.579%0.79280%0.796SS**  cis-152.2170.232.644.3-22.6000123.3
329G30.1Very low36.4Very low60 Ų60130.5 Ų130.562%0.61980%0.797SS**  trans107.7149.1137.300000119.1E327E327-G329 PolarHBondContact OE2-N 2.83Å
330D30.2Very low36.3Very low166 Ų166131 Ų13189%0.88879%0.791SS**  cis-160.7179.7-5.6-145.8-35.7000112.1
331A35.2Very low35.3Very low96 Ų96136.1 Ų136.179%0.79379%0.794SS**  trans-38.2162.8-173.500000119.9
332G27.4Very low35.2Very low59 Ų59138.9 Ų138.961%0.60880%0.802SS**  cis155.4-179.16.500000110.2
333W28.7Very low35.1Very low260 Ų260134 Ų13499%0.98580%0.795SS**  trans160.6167.8153.3-92.9106.9000113.3
334V32.8Very low35.9Very low143 Ų143132.1 Ų132.187%0.86779%0.791SS**  trans-133147.5-167.9167.40000112.1
335G25.9Very low36.8Very low69 Ų69135 Ų13571%0.71180%0.797SS**  trans-169141.9172.200000117.4
336S33Very low36.6Very low123 Ų123132.9 Ų132.986%0.8680%0.795SS**  trans-162.7155.4170.5-83.80000107.1
337P48.5Very low35.5Very low128 Ų128130.6 Ų130.683%0.83179%0.793SS**  cis-148.9-153.846.842.9-19.9000116.4
338R32.4Very low36.4Very low232 Ų232128.8 Ų128.888%0.87580%0.795SS**  trans-77.4-163177.8-47.5174.6172.1179.1-5112.5
339P52.9Low36.1Very low108 Ų108128.7 Ų128.770%0.70180%0.795SS**  cis-143.1-177.8-5.644.6-26.3000117.4
340D28.5Very low36.5Very low133 Ų133133.7 Ų133.771%0.71181%0.807SS**  -172.4132.6126.8-104-27.1000110.5
341R31.1Very low37.4Very low226 Ų226130.8 Ų130.885%0.85380%0.797SS**  60.712587.3-67.6-172.6163.9-166.2-4.6114.1
342T31Very low37Very low147 Ų147133.4 Ų133.490%0.90280%0.797SS**  -152.6-171.256-58.90000112.8
343A32.1Very low37.4Very low88 Ų88136 Ų13673%0.72781%0.806SS**  trans-104.1168.8-15500000117.3
344P49.9Very low37.5Very low117 Ų117133.1 Ų133.176%0.7680%0.803SS**  trans-96.1175.9-177.441.2-37.4000114
345P48.9Very low37.4Very low129 Ų129132.2 Ų132.284%0.83880%0.804SS**  -133.1-161.994.341.9-30.2000111.3
346A31.8Very low37.9Very low102 Ų102133.8 Ų133.884%0.84381%0.81SS**  cis-156.4177.38.300000112.4
347G29.7Very low38Very low69 Ų69136.9 Ų136.971%0.71181%0.811SS**  trans177.8-169.9165.200000110
348P55Low37.3Very low127 Ų127137.8 Ų137.883%0.82581%0.809SS**  cis-109.8-163.8-32.942.2-27.7000110.1
349P43.7Very low37.7Very low121 Ų121134.7 Ų134.779%0.78680%0.804SS**  -150.217075.541.8-22.1000117.2
350L38.4Very low37Very low165 Ų165138.3 Ų138.386%0.86481%0.812SS**  trans-96.3169.1157.6-83.1168.7000108.2
351P47.2Very low37.3Very low104 Ų104141.6 Ų141.668%0.67582%0.823SS**  cis-135.9-159.437.438.7-13.6000112
352D27.7Very low37.7Very low152 Ų152140 Ų14081%0.81383%0.825SS**  cis-152.2166.228-119-35.4000114.4
353S36.9Very low37.8Very low112 Ų112140.6 Ų140.678%0.78382%0.823SS**  trans-93.1138.4179.4-58.30000112.4
354Q30.7Very low37.9Very low200 Ų200144.6 Ų144.694%0.93583%0.832SS**  trans-136.1133.7157-68.4-160.1-75.700111.2
355S30.2Very low37.4Very low125 Ų125147.9 Ų147.987%0.87484%0.837SS**  trans-85.3149.3171.6-45.30000110.4
356A36.2Very low36.6Very low102 Ų102151.6 Ų151.684%0.84384%0.843SS**  trans-146.7133161.200000109.4
357E34.4Very low36.7Very low187 Ų187155 Ų15587%0.87484%0.842SS**  trans-106143.4170.1-66.1163.912700108
358N34.7Very low36.8Very low148 Ų148158.3 Ų158.379%0.79184%0.838SS**  trans160125.8160.6-90.517.4000105.4
359E39.7Very low35.6Very low167 Ų167157.9 Ų157.978%0.7883%0.834SS**  cis75.2116.749.9-62.8-158.6153.600114
360E38.1Very low34.7Very low184 Ų184161.9 Ų161.986%0.8683%0.833SS**  trans52.5118.1154.9-56.1-170.6161.700120.8
361E35.4Very low34.4Very low202 Ų202163.7 Ų163.794%0.94483%0.834SS**  -155.9123.6120.3-109.6166.3-170.100109.1
362E39.5Very low33.7Very low192 Ų192165.3 Ų165.390%0.89785%0.845SS**  trans-99115.3165.2-77.7-170.6138.100108
363D34.1Very low33.6Very low160 Ų160167.6 Ų167.686%0.85684%0.842SS**  trans-168.4132.2156.3-105.2-26.8000110.1
364D33.5Very low33.1Very low171 Ų171168.6 Ų168.691%0.91484%0.843SS**  trans-173.5144.4139-115.1-26.4000110.4
365E39.3Very low32.9Very low187 Ų187165.2 Ų165.287%0.87483%0.828SS**  trans-94149.5-165.1-57.3-175.3124.200114.6E367E365-E367 PolarHBondContact O-N 3.29Å
366E31.5Very low32.7Very low207 Ų207167 Ų16797%0.96783%0.826SS**  trans-82.2100.3170.5-71.3-167.4144.400112
367E35.1Very low32.2Very low173 Ų173169.1 Ų169.181%0.80882%0.818SS**  trans-97126.1168.9-163.4-173.9-158.900113.3E365E365-E367 PolarHBondContact O-N 3.29Å
368E31.1Very low31.7Very low138 Ų138166 Ų16665%0.64581%0.808SS**  trans-83.9109.8174.6-173.2-156.8148.600112.3R370E368-R370 IonicContact OE1-CZ 3.25Å; E368-R370 IonicContact OE1-NE 3.62Å; E368-R370 PolarHBondContact OE1-NE 3.49Å; E368-R370 IonicContact OE1-NH2 3.99Å; E368-R370 PolarHBondContact OE1-NH2 3.18Å
369T29.5Very low31.3Very low119 Ų119170.5 Ų170.573%0.7381%0.813SS**  trans-130.8156161.258.80000113.6
370R26.3Very low30.7Very low204 Ų204170.7 Ų170.777%0.7782%0.819SS**  trans-117.5127.8-161.2-60.3175.7-178.9173.22113.2E368E368-R370 IonicContact OE1-CZ 3.25Å; E368-R370 IonicContact OE1-NE 3.62Å; E368-R370 PolarHBondContact OE1-NE 3.49Å; E368-R370 IonicContact OE1-NH2 3.99Å; E368-R370 PolarHBondContact OE1-NH2 3.18Å
371K30.1Very low30.2Very low203 Ų203166.4 Ų166.488%0.88382%0.815SS**  trans30.3136.8141.6-78.8177.9-179.6171.40119.3
372P34.5Very low29.7Very low138 Ų138161.8 Ų161.890%0.89681%0.805SS**  -145.1-153.568.940.6-21.5000116.4
373R25.2Very low29Very low200 Ų200159.4 Ų159.476%0.75580%0.799SS**  trans-124.7140.7-153.8149-172.1167.5172-1.5114E375R373-E375 IonicContact CZ-OE1 3.35Å; R373-E375 IonicContact NE-OE1 3.25Å; R373-E375 PolarHBondContact NE-OE1 3.48Å; R373-E375 IonicContact NH2-OE1 2.67Å; R373-E375 PolarHBondContact NH2-OE1 3.24Å
374T26.3Very low28.7Very low133 Ų133159.9 Ų159.982%0.81680%0.796SS**  trans-158.7121.3149.134.70000105.9
375E25.4Very low28.4Very low130 Ų130159.4 Ų159.461%0.60779%0.792SS**  76.814362.7-71-173.7-163.500115.3R373R373-E375 IonicContact CZ-OE1 3.35Å; R373-E375 IonicContact NE-OE1 3.25Å; R373-E375 PolarHBondContact NE-OE1 3.48Å; R373-E375 IonicContact NH2-OE1 2.67Å; R373-E375 PolarHBondContact NH2-OE1 3.24Å
376I27.2Very low27.7Very low162 Ų162157.5 Ų157.583%0.83179%0.793SS**  trans77.4138.5-178.6-54.8173.8000114.5
377Q25.6Very low27.6Very low147 Ų147153.7 Ų153.769%0.68778%0.784SS**  cis-171.8153.5-24.4173.1165.7-10.500109.4
378D23.5Very low27.2Very low121 Ų121149.2 Ų149.265%0.64778%0.784SS**  trans36.7137.2162.7-53.9-20.7000120.8
379R27.3Very low27.1Very low242 Ų242147.8 Ų147.891%0.91379%0.789SS**  -166.8167.968.5-94.6-164.7169.8-136.4-9.4116.2
380L25.9Very low27Very low171 Ų171150.8 Ų150.890%0.89580%0.8SS**  trans-85.5141.6-179.4-60.6139.5000114.5
381A27.3Very low27.1Very low94 Ų94146.5 Ų146.578%0.77780%0.801SS**  trans-179.2127.7135.400000107.1
382S25.1Very low27.2Very low106 Ų106142.4 Ų142.474%0.74180%0.798SS**  cis83.913045-69.40000115
383D26.2Very low26.9Very low142 Ų142142.1 Ų142.176%0.75979%0.793SS**  trans67.3151.9163.2-70.2-23.6000119.8
384Q25.9Very low27.1Very low169 Ų169138 Ų13879%0.7980%0.795SS**  cis-158.4162.7-29-168.7156106.800109.5
385L27.7Very low27.3Very low161 Ų161137.5 Ų137.584%0.84379%0.792SS**  trans-60.3146.9170.8-69.2155.3000112.9
386V26.2Very low27.4Very low147 Ų147142.8 Ų142.889%0.89181%0.807SS**  trans-161.1154.2134.8126.60000111.8
387V27.9Very low27.6Very low128 Ų128140.7 Ų140.778%0.77681%0.806SS**  trans-89.3148.3-175.4173.80000111.7
388G26.2Very low29Very low79 Ų79138.2 Ų138.281%0.81480%0.803SS**  trans-149.884.2172.100000113.6
389S28.9Very low29.3Very low108 Ų108138.3 Ų138.376%0.75581%0.808SS**  trans-88.1132170.9-60.50000111.1
390L29Very low29.4Very low182 Ų182133.9 Ų133.995%0.95380%0.798SS**  trans-137.2140.1162.8-74.3178000110.4
391S27.7Very low29.5Very low113 Ų113132.9 Ų132.979%0.7980%0.798SS**  trans-142.4140.2178.756.80000109.6
392S32.5Very low30Very low118 Ų118135 Ų13583%0.82580%0.795SS**  trans-164132.2169.9-87.20000113.4
393V28Very low30.2Very low131 Ų131136.1 Ų136.179%0.79480%0.798SS**  trans23.1135.4157.7-69.20000121.4
394S30.2Very low30.4Very low113 Ų113135.9 Ų135.979%0.7980%0.797SS**  cis96.2128.115.3-51.80000118.6
395T29.7Very low30.7Very low123 Ų123136.8 Ų136.876%0.75580%0.801SS**  trans-160.5154.2165.9480000108.1
396W26.7Very low30.8Very low242 Ų242135 Ų13592%0.91780%0.797SS**  cis-161.6163.2-11.1-107.95000108.7
397S32.7Very low31.1Very low117 Ų117133.6 Ų133.682%0.81879%0.794SS**  trans-174.8172.3-178.7-84.50000111.2
398P53.8Low31.3Very low95 Ų95132 Ų13262%0.61779%0.794SS**  cis-96.3-119.7-533-21000113.3Q400P398-Q400 HydrophobicContact CB-CG 4.35Å
399V30Very low31.7Very low124 Ų124136 Ų13675%0.75280%0.796SS**  cis-146.5117.925.3-173.50000106.9
400Q29.4Very low32.1Very low149 Ų149138 Ų13870%0.69680%0.797SS**  6412976.7-71.6-170.89.800118.3P398P398-Q400 HydrophobicContact CB-CG 4.35Å
401T29.1Very low32.2Very low149 Ų149137.2 Ų137.291%0.91479%0.793SS**  trans-145.1158.7148.942.10000109.8
402I36.9Very low32.4Very low139 Ų139139 Ų13971%0.71379%0.792SS**  trans-127.4140-161.9-55.4155.1000110.8
403T28.9Very low32.4Very low130 Ų130139 Ų13980%0.79879%0.79SS**  trans-153.3131.3148.6-34.60000111.4
404D30.6Very low32.5Very low137 Ų137139.4 Ų139.473%0.73379%0.792SS**  trans-80.2151165.6-67.2-75.2000112
405Q31.7Very low32.6Very low188 Ų188140.1 Ų140.188%0.87979%0.792SS**  trans-164157.5136.3-114.4146.7112.800114.7
406T30.8Very low33Very low123 Ų123139.7 Ų139.776%0.75579%0.791SS**  trans-102.6149.9-172.450.60000113.3
407S32.8Very low33.1Very low118 Ų118132.2 Ų132.283%0.82578%0.781SS**  trans43.6108.2141.5-49.90000120
408A31.4Very low32.8Very low95 Ų95134 Ų13479%0.78578%0.781SS**  trans-155.9136.2147.900000111.6
409D35.4Very low32.3Very low161 Ų161135.1 Ų135.186%0.86179%0.788SS**  trans-73.2142.7166.3-62-84.2000111.1
410I37.3Very low32.2Very low151 Ų151136.3 Ų136.377%0.77479%0.791SS**  trans-131.299.7160.9-58-177.1000109.1I412I410-I412 HydrophobicContact CG2-CG1 4.37Å
411L31.2Very low32.7Very low165 Ų165134.8 Ų134.886%0.86479%0.794SS**  trans-74.3144.7164.1-66.4165.8000109.4
412I31Very low32.6Very low150 Ų150133.9 Ų133.977%0.76979%0.788SS**  trans-118.8138.9171.1-66.4-178.2000108.4I410I410-I412 HydrophobicContact CG2-CG1 4.37Å
413P32.4Very low32.1Very low120 Ų120132.3 Ų132.378%0.77979%0.789SS**  trans-86.4159.4-148.7-13.932.1000115.9
414V30.8Very low32Very low138 Ų138130.7 Ų130.784%0.83678%0.783SS**  trans-107.7137.9164.3176.90000109
415T31.6Very low31.9Very low129 Ų129130.3 Ų130.379%0.79179%0.786SS**  trans-130.9152.6169.639.30000110.7
416P37.9Very low31.8Very low114 Ų114130.6 Ų130.674%0.7479%0.787SS**  trans-122.5166.4-144.740.8-29000116.7
417A30.5Very low31.6Very low85 Ų85133 Ų13370%0.70279%0.789SS**  trans63.6149.7161.700000116.4
418D26.6Very low32.1Very low153 Ų153132 Ų13282%0.81878%0.781SS**  cis169.3177-7.9-95.1-30.6000104.1
419P41.5Very low31.9Very low119 Ų119132.2 Ų132.277%0.77378%0.782SS**  cis-127.2-171-15.537.4-18.8000113.7
420D28.4Very low31.5Very low149 Ų149128.3 Ų128.380%0.79778%0.78SS**  trans-63.6168.4173.8-62.6-68.6000115.9
421P41.1Very low31Very low118 Ų118131.1 Ų131.177%0.76679%0.787SS**  -148.1121.7103.335.3-17.3000118.1
422V26.6Very low31.4Very low130 Ų130129.1 Ų129.179%0.78878%0.784SS**  trans37.7147.2141.2-54.20000125
423S25.8Very low31.4Very low106 Ų106125.9 Ų125.974%0.74178%0.78SS**  trans77144143-177.20000119.7
424S26.8Very low31.7Very low95 Ų95125.7 Ų125.766%0.66478%0.778SS**  cis-165143.5-20-82.20000111.2
425V28.2Very low31.6Very low130 Ų130124.8 Ų124.879%0.78878%0.777SS**  trans37.9113.3135-1660000120.3
426E29.5Very low31.3Very low193 Ų193129.5 Ų129.590%0.90278%0.78SS**  178.7159.2113-90.5-152.3123.300113.4
427E27.4Very low30.9Very low173 Ų173128.9 Ų128.981%0.80878%0.779SS**  trans-117.3-163.7171.8-132.4-141.2141.800107.2
428P41.8Very low30.9Very low99 Ų99132.1 Ų132.164%0.64379%0.789SS**  cis-135.1178.4-5.941.6-23.9000116.4
429A28.6Very low30.9Very low98 Ų98128.9 Ų128.981%0.8179%0.793SS**  trans58.7141.914400000123
430G25.8Very low30.3Very low80 Ų80128.9 Ų128.983%0.82580%0.796SS**  trans170.546.1170.700000120.3
431F27.6Very low30.3Very low210 Ų210125.8 Ų125.892%0.92179%0.79SS**  trans-83.6151162.6-85.5-72.3000109.9
432P39.2Very low29.7Very low122 Ų122129 Ų12979%0.79280%0.795SS**  -147.3-178.25241.8-21.6000117.7
433A30.6Very low29.8Very low83 Ų83129.9 Ų129.969%0.68680%0.796SS**  trans-78.2173.5166.100000112.4
434P40.3Very low29.9Very low116 Ų116128.8 Ų128.875%0.75379%0.787SS**  -152.6142.399.537.5-19.2000118.7
435C27.4Very low29.9Very low119 Ų119132.6 Ų132.680%0.80479%0.794SS**  trans62133.3131.6-620000125.5
436R25.5Very low30Very low228 Ų228132.2 Ų132.286%0.8680%0.797SS**  trans85.8105.2135.1-91.9-176.2161.4171.1-5122.3
437S29.7Very low29.9Very low101 Ų101126.3 Ų126.371%0.70679%0.788SS**  49.6123.1116.5-52.80000121.5
438T30.3Very low30.2Very low152 Ų152129.4 Ų129.493%0.93379%0.792SS**  -176.2168.211920.70000110.5
439G27.5Very low29.7Very low86 Ų86130.9 Ų130.989%0.88780%0.8SS**  trans103.3106.5161.900000116.2
440S28.2Very low29.7Very low119 Ų119134.5 Ų134.583%0.83280%0.8SS**  trans-110.2143.316952.40000110.5
441A28.6Very low30Very low83 Ų83138.6 Ų138.669%0.68680%0.802SS**  trans163.5135.113200000114.1
442E29Very low30.1Very low186 Ų186133.2 Ų133.287%0.86980%0.797SS**  trans55.9103.9133.3-62.1178.1114.900122.9
443N28.9Very low29.5Very low149 Ų149137.3 Ų137.380%0.79780%0.802SS**  100.6137112.4-151.347.9000122.7
444C27.3Very low29.4Very low82 Ų82138.6 Ų138.655%0.55481%0.807SS**  trans39109.4159.7-77.20000124.4
445E27.6Very low29Very low175 Ų175141.8 Ų141.882%0.81881%0.814SS**  76.4153.6118.3-69-173.691.500124.3
446S29.1Very low29.2Very low123 Ų123144.3 Ų144.386%0.8681%0.813SS**  trans64.290164.9-710000119.1
447G27.1Very low29.5Very low69 Ų69138.4 Ų138.471%0.71181%0.807SS**  trans-153.272.2171.100000113.9T449G447-T449 PolarHBondContact O-N 2.8Å; G447-T449 VanDerWaalsContact O-N 3.12Å
448R35.2Very low29.8Very low237 Ų237139 Ų13989%0.89481%0.811SS**  trans-71.998.7178.6178.5-172176-176.9-0.3111.3
449T30.1Very low30.2Very low131 Ų131137.3 Ų137.380%0.80480%0.803SS**  trans-117.3141.1169.643.70000112.2G447G447-T449 PolarHBondContact O-N 2.8Å; G447-T449 VanDerWaalsContact O-N 3.12Å
450Q29Very low31Very low173 Ų173139.3 Ų139.381%0.80880%0.8SS**  trans-91.7131.9177.8-57.5167.931.500108.2
451L31.7Very low31.4Very low167 Ų167140.6 Ų140.687%0.87480%0.803SS**  trans-93.8111.8165.2-72176.8000108.6
452A28.9Very low31.6Very low97 Ų97148 Ų14880%0.80281%0.813SS**  trans-73.5134.9176.200000110.3S454A452-S454 PolarHBondContact O-N 2.87Å
453F27.9Very low32.1Very low207 Ų207145.2 Ų145.291%0.90881%0.814SS**  trans-69.2113.9167.4-84.5-100.7000109.1
454S27.5Very low32.2Very low111 Ų111141.3 Ų141.378%0.77681%0.809SS**  trans-76.3125.5168.9-166.70000109.3A452A452-S454 PolarHBondContact O-N 2.87Å
455M33.5Very low33Very low183 Ų183143.4 Ų143.490%0.90182%0.822SS**  trans-9893.9-176.5-175.7172.6175.800109.6
456E30.1Very low33.8Very low171 Ų171142.7 Ų142.780%0.79982%0.823SS**  trans-65.5133.5179-163.360.6-147.200110.8
457S32.2Very low34.4Very low104 Ų104142.6 Ų142.673%0.72782%0.822SS**  trans-104.5135.8-168.362.90000113.3
458S35.3Very low35Very low114 Ų114144.2 Ų144.280%0.79783%0.828SS**PPolyproline II helixtrans-78.9151.3-178.5-54.40000113.2
459P39.8Very low35.2Very low116 Ų116136.5 Ų136.575%0.75382%0.822SS**PPolyproline II helixtrans-75.8156.6-17531.1-36.6000113.8
460P43.8Very low36.1Very low129 Ų129138.4 Ų138.484%0.83883%0.827SS**PPolyproline II helixtrans-80.8131.5-175.131.7-35000113.4
461V36Very low37.3Very low145 Ų145135.5 Ų135.588%0.87982%0.823SS**PPolyproline II helixtrans-89.1142.9170.4179.60000110.3
462R34.4Very low38.5Very low239 Ų239135.3 Ų135.390%0.90282%0.823SS**PPolyproline II helixtrans-72.6151.4-178.6-73.7179.4169.7178.5-3.6112.7
463S37.9Very low40.3Very low128 Ų128136.2 Ų136.290%0.89582%0.824SS**PPolyproline II helixtrans-77.6147.5178.443.10000113.9
464G32.7Very low42.2Very low66 Ų66131.4 Ų131.468%0.6881%0.805SS**  trans-140.6153.3168.900000110.5
465P44.2Very low45Very low127 Ų127129.5 Ų129.583%0.82579%0.789SS**  trans-87.3118.2-164.231.8-34.5000115.3
466L43.1Very low47.5Very low160 Ų160125.7 Ų125.784%0.83878%0.776SS**  trans39.2110138.3-51.9178.6000119.5
467S42Very low50.3Low120 Ų120122.8 Ų122.884%0.83977%0.769SS**  162.1107.3101.9-70.40000114
468A39.7Very low53Low103 Ų103122.7 Ų122.785%0.85176%0.757SS**SBendtrans-177138.2144.700000110.2
469G38.9Very low55.8Low75 Ų75121.4 Ų121.477%0.77374%0.741SS**  trans59.778.1159.900000117.9
470L48.9Very low58.3Low171 Ų171124 Ų12490%0.89574%0.736SS**PPolyproline II helixtrans-65.5130.2145.2-82.3161.7000107.5
471P53.9Low60.6Low113 Ų113124 Ų12473%0.73473%0.725SS**PPolyproline II helixtrans-67.2143.7162.530.4-32.7000108.6
472D58.8Low63.3Low163 Ų163118.5 Ų118.587%0.87270%0.695SS**PPolyproline II helixtrans-56.7143174.8-84.3-55.7000110.9M474D472-M474 PolarHBondContact O-N 3.34Å
473S65.4Low66.2Low116 Ų116110.9 Ų110.981%0.81167%0.671SS**  trans-65.6109.4177.8-171.40000108.9T475S473-T475 PolarHBondContact O-N 3.47Å; S473-T475 VanDerWaalsContact O-N 3.13Å
474M68.6Low68.9Low105 Ų105108.1 Ų108.152%0.51765%0.648SS.*  trans-40118.6-178.8-174.6-177.5-145.200110.6D472 E478 L479 A482D472-M474 PolarHBondContact O-N 3.34Å; M474-E478 HydrophobicContact CE-CB 3.96Å; M474-E478 HydrophobicContact CG-CB 3.64Å; M474-L479 HydrophobicContact CG-CB 4.39Å; M474-L479 HydrophobicContact SD-CB 4.19Å; M474-L479 HydrophobicContact SD-CD1 4.25Å; M474-A482 HydrophobicContact CE-CB 3.81Å
475T85.6Confident71.9Confident72 Ų72107.5 Ų107.544%0.44264%0.637SS.*  trans-63.8155.9-170.365.30000110.7S473 V477 E478 L479S473-T475 PolarHBondContact O-N 3.47Å; S473-T475 VanDerWaalsContact O-N 3.13Å; T475-V477 PolarHBondContact O-N 3.32Å; T475-E478 VanDerWaalsContact CB-OE2 3.25Å; T475-E478 WeakPolarHBondContact CB-OE2 3.24Å; T475-E478 VanDerWaalsContact CG2-OE2 3.29Å; T475-E478 WeakPolarHBondContact CG2-OE2 3.26Å; T475-E478 PolarHBondContact N-OE2 3.29Å; T475-E478 PolarHBondContact O-N 3.39Å; T475-E478 VanDerWaalsContact OG1-CD 3.28Å; T475-E478 WeakPolarHBondContact OG1-CG 3.45Å; T475-E478 PolarHBondContact OG1-N 2.99Å; T475-E478 PolarHBondContact OG1-OE2 3.02Å; T475-L479 PolarHBondContact O-N 3.12Å
476V86.4Confident74.3Confident102 Ų102107.3 Ų107.362%0.61863%0.627SS**Hα-helixtrans-57.8-22.3179.3178.10000112.2R480V476-R480 VanDerWaalsContact O-CD 3.23Å; V476-R480 WeakPolarHBondContact O-CD 3.5Å; V476-R480 WeakPolarHBondContact O-CG 3.47Å; V476-R480 PolarHBondContact O-N 3.12Å
477V89.1Confident76.8Confident111 Ų111104.7 Ų104.767%0.67361%0.611SS**Hα-helixtrans-77.1-50.4173.7-177.90000111T475 L479 R480 Q481T475-V477 PolarHBondContact O-N 3.32Å; V477-L479 VanDerWaalsContact C-N 3.35Å; V477-L479 PolarHBondContact O-N 3.08Å; V477-R480 PolarHBondContact O-N 3.28Å; V477-Q481 PolarHBondContact O-N 2.91Å
478E89.4Confident79.4Confident101 Ų101103.3 Ų103.347%0.47259%0.594SS.*Hα-helixtrans-62.2-41.1178.8-68.1161131.200111.9M474 T475 R480 Q481 A482M474-E478 HydrophobicContact CE-CB 3.96Å; M474-E478 HydrophobicContact CG-CB 3.64Å; T475-E478 VanDerWaalsContact CB-OE2 3.25Å; T475-E478 WeakPolarHBondContact CB-OE2 3.24Å; T475-E478 VanDerWaalsContact CG2-OE2 3.29Å; T475-E478 WeakPolarHBondContact CG2-OE2 3.26Å; T475-E478 PolarHBondContact N-OE2 3.29Å; T475-E478 PolarHBondContact O-N 3.39Å; T475-E478 VanDerWaalsContact OG1-CD 3.28Å; T475-E478 WeakPolarHBondContact OG1-CG 3.45Å; T475-E478 PolarHBondContact OG1-N 2.99Å; T475-E478 PolarHBondContact OG1-OE2 3.02Å; E478-R480 VanDerWaalsContact C-N 3.33Å; E478-R480 PolarHBondContact O-N 2.72Å; E478-Q481 PolarHBondContact O-N 3.03Å; E478-A482 WeakPolarHBondContact O-CB 3.43Å; E478-A482 PolarHBondContact O-N 3.44Å
479L92.3Very high82.1Confident87 Ų87105.7 Ų105.746%0.45558%0.581SS.*Hα-helixtrans-62.1-39.8175.7179.860.7000111.7M474 T475 V477 A482 I483M474-L479 HydrophobicContact CG-CB 4.39Å; M474-L479 HydrophobicContact SD-CB 4.19Å; M474-L479 HydrophobicContact SD-CD1 4.25Å; T475-L479 PolarHBondContact O-N 3.12Å; V477-L479 VanDerWaalsContact C-N 3.35Å; V477-L479 PolarHBondContact O-N 3.08Å; L479-A482 PolarHBondContact O-N 2.81Å; L479-I483 HydrophobicContact CD1-CD1 4.34Å; L479-I483 HydrophobicContact CG-CD1 4.16Å; L479-I483 WeakPolarHBondContact O-CD1 3.47Å; L479-I483 VanDerWaalsContact O-CG1 3.26Å; L479-I483 WeakPolarHBondContact O-CG1 3.23Å; L479-I483 PolarHBondContact O-N 3.05Å
480R92.3Very high84.9Confident170 Ų170108 Ų10864%0.64257%0.57SS**Hα-helixtrans-66.6-41.8174.4-74.8169.8-174.8-82.3-0.9111.6V476 V477 E478 A482 I483 V484V476-R480 VanDerWaalsContact O-CD 3.23Å; V476-R480 WeakPolarHBondContact O-CD 3.5Å; V476-R480 WeakPolarHBondContact O-CG 3.47Å; V476-R480 PolarHBondContact O-N 3.12Å; V477-R480 PolarHBondContact O-N 3.28Å; E478-R480 VanDerWaalsContact C-N 3.33Å; E478-R480 PolarHBondContact O-N 2.72Å; R480-A482 VanDerWaalsContact C-N 3.33Å; R480-A482 PolarHBondContact O-N 3.4Å; R480-I483 PolarHBondContact O-N 3.3Å; R480-V484 WeakPolarHBondContact O-CG2 3.39Å; R480-V484 PolarHBondContact O-N 3.2Å
481Q94.1Very high87.2Confident131 Ų131103.5 Ų103.561%0.61255%0.547SS*.Hα-helixtrans-62.5-40.7176.1-170.561.435.800111.5V477 E478 V484 A485V477-Q481 PolarHBondContact O-N 2.91Å; E478-Q481 PolarHBondContact O-N 3.03Å; Q481-V484 PolarHBondContact O-N 2.98Å; Q481-A485 WeakPolarHBondContact O-CB 3.33Å; Q481-A485 PolarHBondContact O-N 2.7Å
482A92.3Very high89.3Confident29 Ų29102.7 Ų102.724%0.2453%0.533CS..Hα-helixtrans-65.9-40.1175.300000112.4M474 E478 L479 R480 A485 M486M474-A482 HydrophobicContact CE-CB 3.81Å; E478-A482 WeakPolarHBondContact O-CB 3.43Å; E478-A482 PolarHBondContact O-N 3.44Å; L479-A482 PolarHBondContact O-N 2.81Å; R480-A482 VanDerWaalsContact C-N 3.33Å; R480-A482 PolarHBondContact O-N 3.4Å; A482-A485 PolarHBondContact O-N 3.19Å; A482-M486 WeakPolarHBondContact O-CB 3.39Å; A482-M486 WeakPolarHBondContact O-CG 3.41Å; A482-M486 PolarHBondContact O-N 2.96Å
483I94.6Very high91.1Very high79 Ų7999.1 Ų99.141%0.40551%0.514SS..Hα-helixtrans-61.9-45174.4-70.6162.6000111L479 R480 M486 M487L479-I483 HydrophobicContact CD1-CD1 4.34Å; L479-I483 HydrophobicContact CG-CD1 4.16Å; L479-I483 WeakPolarHBondContact O-CD1 3.47Å; L479-I483 VanDerWaalsContact O-CG1 3.26Å; L479-I483 WeakPolarHBondContact O-CG1 3.23Å; L479-I483 PolarHBondContact O-N 3.05Å; R480-I483 PolarHBondContact O-N 3.3Å; I483-M486 HydrophobicContact CG1-CE 4.29Å; I483-M486 PolarHBondContact O-N 3.25Å; I483-M487 HydrophobicContact CG2-SD 4.3Å; I483-M487 WeakPolarHBondContact O-CG 3.34Å; I483-M487 PolarHBondContact O-N 2.81Å
484V95.1Very high92.6Very high70 Ų7097.4 Ų97.442%0.42450%0.498SS..Hα-helixtrans-63.9-43.8176.2173.70000111.3R480 Q481 M486 M487 N488R480-V484 WeakPolarHBondContact O-CG2 3.39Å; R480-V484 PolarHBondContact O-N 3.2Å; Q481-V484 PolarHBondContact O-N 2.98Å; V484-M486 VanDerWaalsContact C-N 3.33Å; V484-M486 PolarHBondContact O-N 3.18Å; V484-M487 PolarHBondContact O-N 3.11Å; V484-N488 PolarHBondContact O-N 2.65Å; V484-N488 PolarHBondContact O-OD1 3.07Å
485A94.6Very high93.9Very high53 Ų5399.2 Ų99.244%0.43851%0.505SS..Hα-helixtrans-61.9-38.9176.200000112.6Q481 A482 R489Q481-A485 WeakPolarHBondContact O-CB 3.33Å; Q481-A485 PolarHBondContact O-N 2.7Å; A482-A485 PolarHBondContact O-N 3.19Å; A485-R489 VanDerWaalsContact O-CB 3.26Å; A485-R489 WeakPolarHBondContact O-CB 3.42Å; A485-R489 PolarHBondContact O-N 2.85Å
486M95.3Very high94.5Very high123 Ų123101.4 Ų101.461%0.60651%0.511SS*.Hα-helixtrans-69.4-33.5174-73.6-172.2-63.400113A482 I483 V484 K490A482-M486 WeakPolarHBondContact O-CB 3.39Å; A482-M486 WeakPolarHBondContact O-CG 3.41Å; A482-M486 PolarHBondContact O-N 2.96Å; I483-M486 HydrophobicContact CG1-CE 4.29Å; I483-M486 PolarHBondContact O-N 3.25Å; V484-M486 VanDerWaalsContact C-N 3.33Å; V484-M486 PolarHBondContact O-N 3.18Å; M486-K490 VanDerWaalsContact O-CB 3.22Å; M486-K490 WeakPolarHBondContact O-CB 2.91Å; M486-K490 PolarHBondContact O-N 3.4Å
487M96.4Very high95Very high104 Ų104100 Ų10051%0.51250%0.5SS..Hα-helixtrans-66-52.3173.3-76.6178.659.900111I483 V484 R489 K490 D491I483-M487 HydrophobicContact CG2-SD 4.3Å; I483-M487 WeakPolarHBondContact O-CG 3.34Å; I483-M487 PolarHBondContact O-N 2.81Å; V484-M487 PolarHBondContact O-N 3.11Å; M487-R489 VanDerWaalsContact C-N 3.32Å; M487-R489 PolarHBondContact O-N 2.83Å; M487-K490 WeakPolarHBondContact O-CB 3.38Å; M487-K490 PolarHBondContact O-N 3.04Å; M487-K490 VanDerWaalsContact O-N 3.11Å; M487-D491 VanDerWaalsContact O-CG 3.31Å; M487-D491 PolarHBondContact O-N 3.04Å
488N96.3Very high95.4Very high91 Ų9198.6 Ų98.649%0.48749%0.491SS..Hα-helixtrans-55.8-48.3177-66.612.6000110.9V484 K490 D491 E492V484-N488 PolarHBondContact O-N 2.65Å; V484-N488 PolarHBondContact O-OD1 3.07Å; N488-K490 VanDerWaalsContact C-N 3.33Å; N488-K490 PolarHBondContact O-N 3.16Å; N488-D491 PolarHBondContact O-N 3.4Å; N488-D491 VanDerWaalsContact O-N 3.08Å; N488-E492 VanDerWaalsContact O-CG 3.32Å; N488-E492 WeakPolarHBondContact O-CG 3.38Å; N488-E492 PolarHBondContact O-N 2.96Å
489R96.3Very high95.8Very high154 Ų15497.5 Ų97.558%0.58150%0.495SS*.Hα-helixtrans-65-31.8178.3-174.3162.4-169.270.70.3114.1A485 M487 E492 L493A485-R489 VanDerWaalsContact O-CB 3.26Å; A485-R489 WeakPolarHBondContact O-CB 3.42Å; A485-R489 PolarHBondContact O-N 2.85Å; M487-R489 VanDerWaalsContact C-N 3.32Å; M487-R489 PolarHBondContact O-N 2.83Å; R489-E492 WeakPolarHBondContact CA-OE2 3.49Å; R489-E492 IonicContact NH1-OE2 3.58Å; R489-L493 HydrophobicContact CG-CD1 4.3Å; R489-L493 WeakPolarHBondContact O-CB 3.49Å; R489-L493 WeakPolarHBondContact O-CD1 3.33Å; R489-L493 WeakPolarHBondContact O-CG 3.44Å; R489-L493 PolarHBondContact O-N 3.34Å; R489-L493 VanDerWaalsContact O-N 3.13Å
490K97.3Very high96.1Very high124 Ų12498.5 Ų98.554%0.53950%0.5SS..Hα-helixtrans-65.9-43.1171.2167.8-171.7152.1-77.90110.4M486 M487 N488 L493 V494M486-K490 VanDerWaalsContact O-CB 3.22Å; M486-K490 WeakPolarHBondContact O-CB 2.91Å; M486-K490 PolarHBondContact O-N 3.4Å; M487-K490 WeakPolarHBondContact O-CB 3.38Å; M487-K490 PolarHBondContact O-N 3.04Å; M487-K490 VanDerWaalsContact O-N 3.11Å; N488-K490 VanDerWaalsContact C-N 3.33Å; N488-K490 PolarHBondContact O-N 3.16Å; K490-L493 PolarHBondContact O-N 2.86Å; K490-V494 WeakPolarHBondContact O-CG2 3.29Å; K490-V494 PolarHBondContact O-N 3.24Å
491D97.1Very high96.3Very high75 Ų7597.7 Ų97.740%0.40150%0.497SS..Hα-helixtrans-74.6-36.5-175-62.2-22.4000111M487 N488 L493 V494 E495M487-D491 VanDerWaalsContact O-CG 3.31Å; M487-D491 PolarHBondContact O-N 3.04Å; N488-D491 PolarHBondContact O-N 3.4Å; N488-D491 VanDerWaalsContact O-N 3.08Å; D491-L493 PolarHBondContact O-N 3.5Å; D491-V494 PolarHBondContact O-N 3.06Å; D491-V494 VanDerWaalsContact O-N 3.17Å; D491-E495 PolarHBondContact O-N 3.4Å
492E97.1Very high96.4Very high97 Ų9795.5 Ų95.545%0.45350%0.496SS..Hα-helixtrans-50.8-53.3162.9-72161.1-160.600111.4N488 R489 V494 E495 E496N488-E492 VanDerWaalsContact O-CG 3.32Å; N488-E492 WeakPolarHBondContact O-CG 3.38Å; N488-E492 PolarHBondContact O-N 2.96Å; R489-E492 WeakPolarHBondContact CA-OE2 3.49Å; R489-E492 IonicContact NH1-OE2 3.58Å; E492-V494 VanDerWaalsContact C-N 3.26Å; E492-V494 PolarHBondContact O-N 2.84Å; E492-E495 PolarHBondContact O-N 3.4Å; E492-E496 PolarHBondContact O-N 2.9Å
493L96.5Very high96.7Very high88 Ų8899.9 Ų99.946%0.46152%0.515SS..Hα-helixtrans-66.3-24.9179.5-73.8168.4000113.4R489 K490 D491 N497R489-L493 HydrophobicContact CG-CD1 4.3Å; R489-L493 WeakPolarHBondContact O-CB 3.49Å; R489-L493 WeakPolarHBondContact O-CD1 3.33Å; R489-L493 WeakPolarHBondContact O-CG 3.44Å; R489-L493 PolarHBondContact O-N 3.34Å; R489-L493 VanDerWaalsContact O-N 3.13Å; K490-L493 PolarHBondContact O-N 2.86Å; D491-L493 PolarHBondContact O-N 3.5Å; L493-N497 VanDerWaalsContact O-CB 3.31Å; L493-N497 WeakPolarHBondContact O-CB 3.37Å; L493-N497 PolarHBondContact O-N 2.8Å; L493-N497 VanDerWaalsContact O-N 3.14Å
494V97.4Very high96.7Very high80 Ų80101 Ų10149%0.48552%0.521SS..Hα-helixtrans-73.7-42.2172.8166.40000110.4K490 D491 E492 N497 T498K490-V494 WeakPolarHBondContact O-CG2 3.29Å; K490-V494 PolarHBondContact O-N 3.24Å; D491-V494 PolarHBondContact O-N 3.06Å; D491-V494 VanDerWaalsContact O-N 3.17Å; E492-V494 VanDerWaalsContact C-N 3.26Å; E492-V494 PolarHBondContact O-N 2.84Å; V494-N497 PolarHBondContact O-N 2.81Å; V494-T498 PolarHBondContact O-N 2.96Å; V494-T498 PolarHBondContact O-OG1 2.96Å
495E97.5Very high96.8Very high143 Ų143102.2 Ų102.267%0.66853%0.525SS*.Hα-helixtrans-65.9-41.6176-173.1169.2-157.200112.2D491 E492 N497 T498 S499D491-E495 PolarHBondContact O-N 3.4Å; E492-E495 PolarHBondContact O-N 3.4Å; E495-N497 VanDerWaalsContact C-N 3.28Å; E495-N497 PolarHBondContact O-N 3.12Å; E495-T498 PolarHBondContact O-N 2.91Å; E495-T498 PolarHBondContact O-OG1 2.83Å; E495-S499 VanDerWaalsContact O-CB 3.32Å; E495-S499 WeakPolarHBondContact O-CB 3.42Å; E495-S499 PolarHBondContact O-N 2.91Å
496E97.2Very high96.9Very high118 Ų118101.3 Ų101.355%0.55152%0.521SS*.Hα-helixtrans-57.3-42.8168.9-73.4-174.6172.200111.3E492 S499 L500E492-E496 PolarHBondContact O-N 2.9Å; E496-S499 PolarHBondContact O-N 3.28Å; E496-L500 WeakPolarHBondContact O-CB 3.2Å; E496-L500 VanDerWaalsContact O-CG 3.25Å; E496-L500 WeakPolarHBondContact O-CG 3.34Å; E496-L500 PolarHBondContact O-N 2.74Å
497N96.6Very high96.9Very high72 Ų72100.2 Ų100.239%0.38552%0.515SS..Hα-helixtrans-73.5-28.4-177.5-152.7-99.6000113.7L493 V494 E495 R501L493-N497 VanDerWaalsContact O-CB 3.31Å; L493-N497 WeakPolarHBondContact O-CB 3.37Å; L493-N497 PolarHBondContact O-N 2.8Å; L493-N497 VanDerWaalsContact O-N 3.14Å; V494-N497 PolarHBondContact O-N 2.81Å; E495-N497 VanDerWaalsContact C-N 3.28Å; E495-N497 PolarHBondContact O-N 3.12Å; N497-R501 WeakPolarHBondContact O-CD 3.49Å; N497-R501 WeakPolarHBondContact O-CG 3.4Å; N497-R501 PolarHBondContact O-N 3.33Å; N497-R501 PolarHBondContact O-NE 2.67Å; N497-R501 VanDerWaalsContact OD1-CZ 3.29Å; N497-R501 PolarHBondContact OD1-NE 2.98Å; N497-R501 PolarHBondContact OD1-NH2 2.93Å
498T97.9Very high96.9Very high82 Ų82100.8 Ų100.850%0.50352%0.517SS..Hα-helixtrans-75.8-40.2171.255.10000111.5V494 E495 R501 S502V494-T498 PolarHBondContact O-N 2.96Å; V494-T498 PolarHBondContact O-OG1 2.96Å; E495-T498 PolarHBondContact O-N 2.91Å; E495-T498 PolarHBondContact O-OG1 2.83Å; T498-R501 PolarHBondContact O-N 2.92Å; T498-S502 PolarHBondContact O-N 2.75Å
499S97.8Very high96.9Very high78 Ų78103.6 Ų103.655%0.54553%0.527SS..Hα-helixtrans-58.3-47.9173.6-178.60000112.1E495 E496 R501 S502 L503E495-S499 VanDerWaalsContact O-CB 3.32Å; E495-S499 WeakPolarHBondContact O-CB 3.42Å; E495-S499 PolarHBondContact O-N 2.91Å; E496-S499 PolarHBondContact O-N 3.28Å; S499-R501 VanDerWaalsContact C-N 3.3Å; S499-R501 PolarHBondContact O-N 2.98Å; S499-S502 PolarHBondContact O-N 3.14Å; S499-L503 PolarHBondContact O-N 2.87Å
500L97.5Very high96.8Very high107 Ų107101.4 Ų101.456%0.5652%0.524SS*.Hα-helixtrans-62.5-32177.3-73.9169.7000113.6E496 L504E496-L500 WeakPolarHBondContact O-CB 3.2Å; E496-L500 VanDerWaalsContact O-CG 3.25Å; E496-L500 WeakPolarHBondContact O-CG 3.34Å; E496-L500 PolarHBondContact O-N 2.74Å; L500-L504 WeakPolarHBondContact O-CB 3.34Å; L500-L504 PolarHBondContact O-N 3.47Å; L500-L504 VanDerWaalsContact O-N 3.11Å
501R97.1Very high96.6Very high153 Ų15397.3 Ų97.358%0.57751%0.51SS*.Hα-helixtrans-69.9-48.8173.2-70.1166.5-162.3-141.54.5111N497 T498 S499 L503 L504 D505N497-R501 WeakPolarHBondContact O-CD 3.49Å; N497-R501 WeakPolarHBondContact O-CG 3.4Å; N497-R501 PolarHBondContact O-N 3.33Å; N497-R501 PolarHBondContact O-NE 2.67Å; N497-R501 VanDerWaalsContact OD1-CZ 3.29Å; N497-R501 PolarHBondContact OD1-NE 2.98Å; N497-R501 PolarHBondContact OD1-NH2 2.93Å; T498-R501 PolarHBondContact O-N 2.92Å; S499-R501 VanDerWaalsContact C-N 3.3Å; S499-R501 PolarHBondContact O-N 2.98Å; R501-L503 PolarHBondContact O-N 3.3Å; R501-L504 WeakPolarHBondContact O-CA 3.07Å; R501-L504 WeakPolarHBondContact O-CB 3.42Å; R501-L504 PolarHBondContact O-N 3.36Å; R501-D505 VanDerWaalsContact O-CG 3.28Å; R501-D505 PolarHBondContact O-N 2.93Å
502S97.4Very high96.6Very high85 Ų8596.3 Ų96.359%0.59451%0.513SS*.Hα-helixtrans-58.1-34.4177.3-170.60000112.7T498 S499 G506T498-S502 PolarHBondContact O-N 2.75Å; S499-S502 PolarHBondContact O-N 3.14Å; S502-G506 PolarHBondContact O-N 2.87Å
503L96.8Very high96.5Very high122 Ų12293.5 Ų93.564%0.63951%0.51SS*.Hα-helixtrans-71.8-39.1174.7-176.861.6000112.5S499 R501 E507S499-L503 PolarHBondContact O-N 2.87Å; R501-L503 PolarHBondContact O-N 3.3Å; L503-E507 PolarHBondContact O-N 2.89Å
504L95.9Very high96.3Very high101 Ų10193.1 Ų93.153%0.52951%0.508SS..Hα-helixtrans-64.5-43.4174.3176.262.6000111.6L500 R501 G506 E507 M508L500-L504 WeakPolarHBondContact O-CB 3.34Å; L500-L504 PolarHBondContact O-N 3.47Å; L500-L504 VanDerWaalsContact O-N 3.11Å; R501-L504 WeakPolarHBondContact O-CA 3.07Å; R501-L504 WeakPolarHBondContact O-CB 3.42Å; R501-L504 PolarHBondContact O-N 3.36Å; L504-G506 VanDerWaalsContact C-N 3.34Å; L504-G506 PolarHBondContact O-N 3Å; L504-E507 PolarHBondContact O-N 3.32Å; L504-M508 HydrophobicContact CD1-CG 4.38Å; L504-M508 HydrophobicContact CD1-SD 4.35Å; L504-M508 HydrophobicContact CG-SD 4.22Å; L504-M508 WeakPolarHBondContact O-CB 3.11Å; L504-M508 WeakPolarHBondContact O-CG 3.4Å; L504-M508 PolarHBondContact O-N 3.02Å
505D96.9Very high96.2Very high97 Ų9797.6 Ų97.652%0.51952%0.516SS..Hα-helixtrans-62.2-42.4178.6-65.1-34.3000110.7R501 M508 E509R501-D505 VanDerWaalsContact O-CG 3.28Å; R501-D505 PolarHBondContact O-N 2.93Å; D505-M508 WeakPolarHBondContact O-CB 3.41Å; D505-M508 PolarHBondContact O-N 3.24Å; D505-E509 PolarHBondContact O-N 2.69Å
506G96.5Very high96.2Very high34 Ų3497.8 Ų97.835%0.35152%0.517SS..Hα-helixtrans-66-40.5174.300000114.3S502 L504 M508 E509 H510S502-G506 PolarHBondContact O-N 2.87Å; L504-G506 VanDerWaalsContact C-N 3.34Å; L504-G506 PolarHBondContact O-N 3Å; G506-M508 VanDerWaalsContact C-N 3.28Å; G506-M508 PolarHBondContact O-N 2.95Å; G506-E509 PolarHBondContact O-N 3.42Å; G506-H510 WeakPolarHBondContact O-CB 3.48Å; G506-H510 PolarHBondContact O-N 3.08Å
507E94.9Very high96Very high100 Ų10097.3 Ų97.347%0.46752%0.515SS..Hα-helixtrans-66.6-31.6173.2-179.364.6-148.600111.4L503 L504 S511L503-E507 PolarHBondContact O-N 2.89Å; L504-E507 PolarHBondContact O-N 3.32Å; E507-S511 WeakPolarHBondContact O-CB 3.42Å; E507-S511 PolarHBondContact O-N 3.35Å; E507-S511 PolarHBondContact O-OG 2.86Å
508M96.1Very high95.8Very high115 Ų11597.1 Ų97.157%0.56752%0.516SS*.Hα-helixtrans-69.5-40.7173-79.9-179.647.900112.5L504 D505 G506 S511 A512L504-M508 HydrophobicContact CD1-CG 4.38Å; L504-M508 HydrophobicContact CD1-SD 4.35Å; L504-M508 HydrophobicContact CG-SD 4.22Å; L504-M508 WeakPolarHBondContact O-CB 3.11Å; L504-M508 WeakPolarHBondContact O-CG 3.4Å; L504-M508 PolarHBondContact O-N 3.02Å; D505-M508 WeakPolarHBondContact O-CB 3.41Å; D505-M508 PolarHBondContact O-N 3.24Å; G506-M508 VanDerWaalsContact C-N 3.28Å; G506-M508 PolarHBondContact O-N 2.95Å; M508-S511 CarbonylContact O-C 3.59Å; M508-S511 PolarHBondContact O-N 2.84Å; M508-A512 PolarHBondContact O-N 2.87Å
509E96.4Very high95.8Very high150 Ų15098.2 Ų98.270%0.70152%0.516SS*.Hα-helixtrans-65-49.5174.7-177172.4-157.900111.4D505 G506 S511 A512 G513D505-E509 PolarHBondContact O-N 2.69Å; G506-E509 PolarHBondContact O-N 3.42Å; E509-S511 VanDerWaalsContact C-N 3.3Å; E509-S511 PolarHBondContact O-N 2.9Å; E509-A512 WeakPolarHBondContact O-CA 3.45Å; E509-A512 WeakPolarHBondContact O-CB 3.41Å; E509-A512 PolarHBondContact O-N 3.17Å; E509-G513 PolarHBondContact O-N 3.06Å
510H95.4Very high95.7Very high109 Ų10998.8 Ų98.851%0.50551%0.512SS..Hα-helixtrans-57.8-42.3173.3176.2-120.1000111.8G506 A512 G513 L514G506-H510 WeakPolarHBondContact O-CB 3.48Å; G506-H510 PolarHBondContact O-N 3.08Å; H510-A512 PolarHBondContact O-N 2.92Å; H510-G513 PolarHBondContact O-N 3.41Å; H510-L514 WeakPolarHBondContact O-CG 3.26Å; H510-L514 PolarHBondContact O-N 2.91Å; H510-L514 VanDerWaalsContact O-N 3.12Å
511S92.4Very high95.6Very high37 Ų3798.2 Ų98.226%0.25951%0.509SS..Hα-helixtrans-64.9-21.2173-72.50000114.2E507 M508 E509 R515E507-S511 WeakPolarHBondContact O-CB 3.42Å; E507-S511 PolarHBondContact O-N 3.35Å; E507-S511 PolarHBondContact O-OG 2.86Å; M508-S511 CarbonylContact O-C 3.59Å; M508-S511 PolarHBondContact O-N 2.84Å; E509-S511 VanDerWaalsContact C-N 3.3Å; E509-S511 PolarHBondContact O-N 2.9Å; S511-R515 VanDerWaalsContact O-CD 3.32Å; S511-R515 WeakPolarHBondContact O-CD 3.35Å; S511-R515 VanDerWaalsContact O-CG 3.23Å; S511-R515 WeakPolarHBondContact O-CG 3.46Å; S511-R515 PolarHBondContact O-NE 3.16Å; S511-R515 VanDerWaalsContact O-NE 3.11Å
512A96.9Very high95.5Very high54 Ų5496.1 Ų96.145%0.44650%0.504SS..Hα-helixtrans-83.2-43.417400000111.1M508 E509 H510 L514 R515 Q516M508-A512 PolarHBondContact O-N 2.87Å; E509-A512 WeakPolarHBondContact O-CA 3.45Å; E509-A512 WeakPolarHBondContact O-CB 3.41Å; E509-A512 PolarHBondContact O-N 3.17Å; H510-A512 PolarHBondContact O-N 2.92Å; A512-L514 PolarHBondContact O-N 3.14Å; A512-R515 WeakPolarHBondContact O-CB 3.29Å; A512-R515 PolarHBondContact O-N 2.89Å; A512-R515 VanDerWaalsContact O-N 3.08Å; A512-Q516 PolarHBondContact O-N 3.19Å
513G96.3Very high95.5Very high38 Ų3898.6 Ų98.639%0.39250%0.504SS..Hα-helixtrans-56-48.4174.600000112.6E509 H510 R515 Q516 E517E509-G513 PolarHBondContact O-N 3.06Å; H510-G513 PolarHBondContact O-N 3.41Å; G513-R515 PolarHBondContact O-N 3.13Å; G513-Q516 WeakPolarHBondContact O-CB 3.35Å; G513-Q516 PolarHBondContact O-N 3.39Å; G513-E517 PolarHBondContact O-N 3.03Å
514L91.4Very high95.5Very high80 Ų8098.7 Ų98.742%0.41950%0.5SS..Hα-helixtrans-60.6-29.7176.3-70.2173.2000113.5H510 A512 T518H510-L514 WeakPolarHBondContact O-CG 3.26Å; H510-L514 PolarHBondContact O-N 2.91Å; H510-L514 VanDerWaalsContact O-N 3.12Å; A512-L514 PolarHBondContact O-N 3.14Å; L514-T518 WeakPolarHBondContact O-CB 3.26Å; L514-T518 PolarHBondContact O-N 3.18Å; L514-T518 VanDerWaalsContact O-N 3.08Å; L514-T518 PolarHBondContact O-OG1 3.5Å
515R94.9Very high95.3Very high174 Ų17498.6 Ų98.666%0.65750%0.499SS*.Hα-helixtrans-72.8-42.2173.5-67.7168.1-161-163.54.2111.1S511 A512 G513 T518 E519S511-R515 VanDerWaalsContact O-CD 3.32Å; S511-R515 WeakPolarHBondContact O-CD 3.35Å; S511-R515 VanDerWaalsContact O-CG 3.23Å; S511-R515 WeakPolarHBondContact O-CG 3.46Å; S511-R515 PolarHBondContact O-NE 3.16Å; S511-R515 VanDerWaalsContact O-NE 3.11Å; A512-R515 WeakPolarHBondContact O-CB 3.29Å; A512-R515 PolarHBondContact O-N 2.89Å; A512-R515 VanDerWaalsContact O-N 3.08Å; G513-R515 PolarHBondContact O-N 3.13Å; R515-T518 WeakPolarHBondContact O-CB 3.48Å; R515-T518 PolarHBondContact O-N 3.19Å; R515-E519 PolarHBondContact O-N 2.91Å
516Q97.6Very high95.3Very high148 Ų14896.4 Ų96.469%0.69250%0.495SS*.Hα-helixtrans-62.7-43.5177.3-175176.2-400111.5A512 G513 T518 E519 L520A512-Q516 PolarHBondContact O-N 3.19Å; G513-Q516 WeakPolarHBondContact O-CB 3.35Å; G513-Q516 PolarHBondContact O-N 3.39Å; Q516-T518 VanDerWaalsContact C-N 3.35Å; Q516-E519 PolarHBondContact O-N 3.21Å; Q516-L520 WeakPolarHBondContact O-CB 3.42Å; Q516-L520 PolarHBondContact O-N 3.18Å
517E93.8Very high95.3Very high107 Ų10797.6 Ų97.650%0.549%0.491SS..Hα-helixtrans-59.9-44.5172.3-173.5-176.5-168.900111.4G513 E519 L520 L521G513-E517 PolarHBondContact O-N 3.03Å; E517-E519 PolarHBondContact O-N 3.42Å; E517-L520 PolarHBondContact O-N 2.98Å; E517-L521 HydrophobicContact CG-CD1 4.04Å; E517-L521 HydrophobicContact CG-CG 4.39Å; E517-L521 WeakPolarHBondContact O-CB 3.5Å; E517-L521 WeakPolarHBondContact O-CG 3.17Å; E517-L521 PolarHBondContact O-N 3.25Å
518T91.6Very high95.3Very high68 Ų6896.9 Ų96.942%0.41749%0.49SS..Hα-helixtrans-58.1-44.1176.7-62.60000112.2L514 R515 Q516 K522L514-T518 WeakPolarHBondContact O-CB 3.26Å; L514-T518 PolarHBondContact O-N 3.18Å; L514-T518 VanDerWaalsContact O-N 3.08Å; L514-T518 PolarHBondContact O-OG1 3.5Å; R515-T518 WeakPolarHBondContact O-CB 3.48Å; R515-T518 PolarHBondContact O-N 3.19Å; Q516-T518 VanDerWaalsContact C-N 3.35Å; T518-K522 HydrophobicContact CG2-CD 4.3Å; T518-K522 WeakPolarHBondContact O-CD 3.41Å; T518-K522 VanDerWaalsContact O-CG 3.28Å; T518-K522 WeakPolarHBondContact O-CG 3.37Å; T518-K522 PolarHBondContact O-N 2.82Å
519E97.2Very high95.3Very high106 Ų10697.6 Ų97.650%0.49549%0.492SS..Hα-helixtrans-70.7-34.6176.6-60.3-44.4129.400112.8R515 Q516 E517 K522 K523R515-E519 PolarHBondContact O-N 2.91Å; Q516-E519 PolarHBondContact O-N 3.21Å; E517-E519 PolarHBondContact O-N 3.42Å; E519-K522 PolarHBondContact O-N 3.23Å; E519-K522 IonicContact OE1-NZ 2.6Å; E519-K522 PolarHBondContact OE1-NZ 2.9Å; E519-K522 WeakPolarHBondContact OE2-CD 3.27Å; E519-K522 IonicContact OE2-NZ 2.62Å; E519-K522 PolarHBondContact OE2-NZ 3.47Å; E519-K522 VanDerWaalsContact OE2-NZ 3.09Å; E519-K523 PolarHBondContact O-N 2.85Å
520L97.4Very high95.3Very high90 Ų9097.5 Ų97.547%0.47149%0.491SS..Hα-helixtrans-63.7-44.6174.1-175.3156.6000111.4Q516 E517 K523 K524Q516-L520 WeakPolarHBondContact O-CB 3.42Å; Q516-L520 PolarHBondContact O-N 3.18Å; E517-L520 PolarHBondContact O-N 2.98Å; L520-K523 PolarHBondContact O-N 3.26Å; L520-K524 HydrophobicContact CD2-CD 3.89Å; L520-K524 HydrophobicContact CD2-CG 4.36Å; L520-K524 PolarHBondContact O-N 3.24Å
521L94.1Very high95.4Very high95 Ų9599 Ų9950%0.49749%0.492SS..Hα-helixtrans-65.7-41.1176.5-70.5173.4000111.9E517 K523 K524 L525E517-L521 HydrophobicContact CG-CD1 4.04Å; E517-L521 HydrophobicContact CG-CG 4.39Å; E517-L521 WeakPolarHBondContact O-CB 3.5Å; E517-L521 WeakPolarHBondContact O-CG 3.17Å; E517-L521 PolarHBondContact O-N 3.25Å; L521-K523 VanDerWaalsContact C-N 3.35Å; L521-K523 PolarHBondContact O-N 2.98Å; L521-K524 PolarHBondContact O-N 3.49Å; L521-L525 WeakPolarHBondContact O-CB 3.28Å; L521-L525 PolarHBondContact O-N 3.48Å
522K94.7Very high95.6Very high109 Ų109102.7 Ų102.747%0.47451%0.506SS..Hα-helixtrans-58-44.3171.2-76.5164.5172.7177.40112.1T518 E519 L525 A526T518-K522 HydrophobicContact CG2-CD 4.3Å; T518-K522 WeakPolarHBondContact O-CD 3.41Å; T518-K522 VanDerWaalsContact O-CG 3.28Å; T518-K522 WeakPolarHBondContact O-CG 3.37Å; T518-K522 PolarHBondContact O-N 2.82Å; E519-K522 PolarHBondContact O-N 3.23Å; E519-K522 IonicContact OE1-NZ 2.6Å; E519-K522 PolarHBondContact OE1-NZ 2.9Å; E519-K522 WeakPolarHBondContact OE2-CD 3.27Å; E519-K522 IonicContact OE2-NZ 2.62Å; E519-K522 PolarHBondContact OE2-NZ 3.47Å; E519-K522 VanDerWaalsContact OE2-NZ 3.09Å; K522-L525 PolarHBondContact O-N 2.94Å; K522-A526 WeakPolarHBondContact O-CB 3.49Å; K522-A526 PolarHBondContact O-N 3.07Å
523K98Very high95.6Very high136 Ų136101.6 Ų101.659%0.59150%0.5SS*.Hα-helixtrans-61.3-49.3177.1-175.2177.1-176.5-79.90111.2E519 L520 L521 L525 A526 E527E519-K523 PolarHBondContact O-N 2.85Å; L520-K523 PolarHBondContact O-N 3.26Å; L521-K523 VanDerWaalsContact C-N 3.35Å; L521-K523 PolarHBondContact O-N 2.98Å; K523-L525 VanDerWaalsContact C-N 3.28Å; K523-L525 PolarHBondContact O-N 3.08Å; K523-A526 PolarHBondContact O-N 3.41Å; K523-E527 IonicContact NZ-OE1 3.77Å; K523-E527 PolarHBondContact NZ-OE1 3.44Å; K523-E527 WeakPolarHBondContact O-CG 3.37Å; K523-E527 PolarHBondContact O-N 2.97Å
524K97Very high95.6Very high125 Ų125102.5 Ų102.554%0.54350%0.503SS..Hα-helixtrans-57.6-40.5176.3-74.6-174.6174.8-178.20112.1L520 L521 L528L520-K524 HydrophobicContact CD2-CD 3.89Å; L520-K524 HydrophobicContact CD2-CG 4.36Å; L520-K524 PolarHBondContact O-N 3.24Å; L521-K524 PolarHBondContact O-N 3.49Å; K524-L528 WeakPolarHBondContact O-CG 3.44Å; K524-L528 PolarHBondContact O-N 2.94Å; K524-L528 VanDerWaalsContact O-N 3.14Å
525L92.9Very high95.9Very high98 Ų98105.5 Ų105.551%0.51351%0.513SS..Hα-helixtrans-65.1-47.7176.5-174.7148.6000111.9L521 K522 K523 E527 L528 E529L521-L525 WeakPolarHBondContact O-CB 3.28Å; L521-L525 PolarHBondContact O-N 3.48Å; K522-L525 PolarHBondContact O-N 2.94Å; K523-L525 VanDerWaalsContact C-N 3.28Å; K523-L525 PolarHBondContact O-N 3.08Å; L525-E527 PolarHBondContact O-N 3.22Å; L525-L528 WeakPolarHBondContact O-CB 3.33Å; L525-L528 PolarHBondContact O-N 2.72Å; L525-L528 VanDerWaalsContact O-N 3.08Å; L525-E529 HydrophobicContact CD2-CG 4.05Å; L525-E529 PolarHBondContact O-N 3.2Å
526A95.5Very high95.9Very high52 Ų52101.9 Ų101.943%0.4351%0.51SS..Hα-helixtrans-60.8-41.5178.800000112.5K522 K523 L528 E529 E530K522-A526 WeakPolarHBondContact O-CB 3.49Å; K522-A526 PolarHBondContact O-N 3.07Å; K523-A526 PolarHBondContact O-N 3.41Å; A526-L528 VanDerWaalsContact C-N 3.31Å; A526-L528 PolarHBondContact O-N 2.98Å; A526-E529 PolarHBondContact O-N 3.12Å; A526-E530 PolarHBondContact O-N 3.16Å
527E97.1Very high95.9Very high58 Ų5899.9 Ų99.927%0.27150%0.501SS..Hα-helixtrans-66.2-31.4174.7-63.1175.6-160.300112.6K523 L525 R531K523-E527 IonicContact NZ-OE1 3.77Å; K523-E527 PolarHBondContact NZ-OE1 3.44Å; K523-E527 WeakPolarHBondContact O-CG 3.37Å; K523-E527 PolarHBondContact O-N 2.97Å; L525-E527 PolarHBondContact O-N 3.22Å; E527-R531 VanDerWaalsContact C-NH1 3.3Å; E527-R531 VanDerWaalsContact O-CG 3.24Å; E527-R531 WeakPolarHBondContact O-CG 3.4Å; E527-R531 PolarHBondContact O-N 3.35Å; E527-R531 VanDerWaalsContact O-N 3.07Å; E527-R531 PolarHBondContact O-NH1 3.05Å; E527-R531 IonicContact OE2-CZ 3.26Å; E527-R531 IonicContact OE2-NH1 3.43Å; E527-R531 PolarHBondContact OE2-NH1 2.87Å; E527-R531 IonicContact OE2-NH2 2.91Å; E527-R531 PolarHBondContact OE2-NH2 3.02Å
528L95.3Very high96Very high86 Ų8697.2 Ų97.245%0.4550%0.497SS..Hα-helixtrans-71.8-39.7173.3-74.5171000111.5K524 L525 A526 E530 R531 H532K524-L528 WeakPolarHBondContact O-CG 3.44Å; K524-L528 PolarHBondContact O-N 2.94Å; K524-L528 VanDerWaalsContact O-N 3.14Å; L525-L528 WeakPolarHBondContact O-CB 3.33Å; L525-L528 PolarHBondContact O-N 2.72Å; L525-L528 VanDerWaalsContact O-N 3.08Å; A526-L528 VanDerWaalsContact C-N 3.31Å; A526-L528 PolarHBondContact O-N 2.98Å; L528-E530 VanDerWaalsContact C-N 3.33Å; L528-E530 PolarHBondContact O-N 2.92Å; L528-R531 PolarHBondContact O-N 3.5Å; L528-H532 WeakPolarHBondContact O-CB 3.39Å; L528-H532 PolarHBondContact O-N 2.77Å; L528-H532 PolarHBondContact O-ND1 2.99Å
529E95.1Very high96.1Very high129 Ų12997.9 Ų97.960%0.60350%0.498SS*.Hα-helixtrans-60.6-40.9172.6-71-174.9147.700111.8L525 A526 H532 G533L525-E529 HydrophobicContact CD2-CG 4.05Å; L525-E529 PolarHBondContact O-N 3.2Å; A526-E529 PolarHBondContact O-N 3.12Å; E529-H532 PolarHBondContact O-N 2.78Å; E529-G533 PolarHBondContact O-N 2.92Å
530E97.2Very high95.9Very high149 Ų14995.6 Ų95.670%0.69650%0.496SS*.Hα-helixtrans-63.6-49.8174.2-173.7175.8-172.500112.1A526 L528 H532 G533 A534A526-E530 PolarHBondContact O-N 3.16Å; L528-E530 VanDerWaalsContact C-N 3.33Å; L528-E530 PolarHBondContact O-N 2.92Å; E530-H532 VanDerWaalsContact C-N 3.31Å; E530-H532 PolarHBondContact O-N 2.89Å; E530-G533 PolarHBondContact O-N 3.13Å; E530-A534 WeakPolarHBondContact O-CB 3.47Å; E530-A534 PolarHBondContact O-N 3.49Å
531R96.8Very high95.9Very high139 Ų13998.3 Ų98.353%0.52550%0.501SS..Hα-helixtrans-57.7-42.6176.8-71.6174.3-165106-0.2111.8E527 L528 K535E527-R531 VanDerWaalsContact C-NH1 3.3Å; E527-R531 VanDerWaalsContact O-CG 3.24Å; E527-R531 WeakPolarHBondContact O-CG 3.4Å; E527-R531 PolarHBondContact O-N 3.35Å; E527-R531 VanDerWaalsContact O-N 3.07Å; E527-R531 PolarHBondContact O-NH1 3.05Å; E527-R531 IonicContact OE2-CZ 3.26Å; E527-R531 IonicContact OE2-NH1 3.43Å; E527-R531 PolarHBondContact OE2-NH1 2.87Å; E527-R531 IonicContact OE2-NH2 2.91Å; E527-R531 PolarHBondContact OE2-NH2 3.02Å; L528-R531 PolarHBondContact O-N 3.5Å; R531-K535 PolarHBondContact O-N 3.43Å; R531-K535 VanDerWaalsContact O-N 3.11Å
532H96.7Very high95.8Very high116 Ų11698.1 Ų98.154%0.53750%0.497SS..Hα-helixtrans-67.5-42.7175.8-66.8140.9000112.2L528 E529 E530 A534 K535 V536L528-H532 WeakPolarHBondContact O-CB 3.39Å; L528-H532 PolarHBondContact O-N 2.77Å; L528-H532 PolarHBondContact O-ND1 2.99Å; E529-H532 PolarHBondContact O-N 2.78Å; E530-H532 VanDerWaalsContact C-N 3.31Å; E530-H532 PolarHBondContact O-N 2.89Å; H532-A534 PolarHBondContact O-N 2.95Å; H532-K535 PolarHBondContact O-N 3.09Å; H532-V536 WeakPolarHBondContact O-CG2 3.44Å; H532-V536 PolarHBondContact O-N 3.34Å
533G96.6Very high95.8Very high31 Ų3196.9 Ų96.932%0.3250%0.496SS..Hα-helixtrans-59.3-44.6175.500000112.5E529 E530 V536 Q537E529-G533 PolarHBondContact O-N 2.92Å; E530-G533 PolarHBondContact O-N 3.13Å; G533-V536 PolarHBondContact O-N 2.96Å; G533-Q537 WeakPolarHBondContact O-CG 3.5Å; G533-Q537 PolarHBondContact O-N 2.93Å
534A96.9Very high95.7Very high56 Ų5695.1 Ų95.146%0.46349%0.49SS..Hα-helixtrans-60.1-45.1174.600000111.9E530 H532 Q537 A538E530-A534 WeakPolarHBondContact O-CB 3.47Å; E530-A534 PolarHBondContact O-N 3.49Å; H532-A534 PolarHBondContact O-N 2.95Å; A534-Q537 PolarHBondContact O-N 3.04Å; A534-A538 PolarHBondContact O-N 3.47Å
535K97.1Very high95.6Very high143 Ų14393.1 Ų93.162%0.62249%0.488SS*.Hα-helixtrans-63.5-41.8177.4-169.7168.9-175.1169.90112.4R531 H532 A538 L539R531-K535 PolarHBondContact O-N 3.43Å; R531-K535 VanDerWaalsContact O-N 3.11Å; H532-K535 PolarHBondContact O-N 3.09Å; K535-A538 PolarHBondContact O-N 3.12Å; K535-L539 HydrophobicContact CG-CD1 4.31Å; K535-L539 WeakPolarHBondContact O-CG 3.42Å; K535-L539 PolarHBondContact O-N 3.45Å
536V96.1Very high95.6Very high99 Ų9992.2 Ų92.260%0.648%0.483SS*.Hα-helixtrans-62.6-43.3174.41700000111.1H532 G533 A538 L539 A540H532-V536 WeakPolarHBondContact O-CG2 3.44Å; H532-V536 PolarHBondContact O-N 3.34Å; G533-V536 PolarHBondContact O-N 2.96Å; V536-A538 PolarHBondContact O-N 3.36Å; V536-L539 PolarHBondContact O-N 3.43Å; V536-A540 WeakPolarHBondContact O-CB 3.39Å; V536-A540 PolarHBondContact O-N 3.3Å
537Q96.8Very high95.5Very high106 Ų10695 Ų9550%0.49549%0.485SS..Hα-helixtrans-65.1-37.1175.7-69.2-176.427.600112.9G533 A534 A540 R541G533-Q537 WeakPolarHBondContact O-CG 3.5Å; G533-Q537 PolarHBondContact O-N 2.93Å; A534-Q537 PolarHBondContact O-N 3.04Å; Q537-A540 PolarHBondContact O-N 2.62Å; Q537-R541 WeakPolarHBondContact O-CG 3.35Å; Q537-R541 PolarHBondContact O-N 3.08Å; Q537-R541 VanDerWaalsContact O-N 3.12Å; Q537-R541 PolarHBondContact O-NH1 3.03Å
538A95.2Very high95.4Very high51 Ų5196 Ų9642%0.42150%0.495SS..Hα-helixtrans-62.7-51.6176.100000111.2A534 K535 V536 A540 R541 E542A534-A538 PolarHBondContact O-N 3.47Å; K535-A538 PolarHBondContact O-N 3.12Å; V536-A538 PolarHBondContact O-N 3.36Å; A538-A540 VanDerWaalsContact C-N 3.27Å; A538-A540 PolarHBondContact O-N 3.47Å; A538-R541 WeakPolarHBondContact O-CB 3.23Å; A538-R541 PolarHBondContact O-N 3.09Å; A538-R541 VanDerWaalsContact O-N 3.12Å; A538-E542 PolarHBondContact O-N 2.6Å
539L93.9Very high95.3Very high82 Ų8294.6 Ų94.643%0.42949%0.486SS..Hα-helixtrans-61.7-33.1176.6-68170000112.5K535 V536 N543K535-L539 HydrophobicContact CG-CD1 4.31Å; K535-L539 WeakPolarHBondContact O-CG 3.42Å; K535-L539 PolarHBondContact O-N 3.45Å; V536-L539 PolarHBondContact O-N 3.43Å; L539-N543 WeakPolarHBondContact O-CB 3.09Å; L539-N543 PolarHBondContact O-N 3.46Å; L539-N543 PolarHBondContact O-ND2 2.89Å
540A94.3Very high95.2Very high57 Ų5793.7 Ų93.747%0.47149%0.485SS..Hα-helixtrans-66.1-39.7174.500000112.6V536 Q537 A538 E544V536-A540 WeakPolarHBondContact O-CB 3.39Å; V536-A540 PolarHBondContact O-N 3.3Å; Q537-A540 PolarHBondContact O-N 2.62Å; A538-A540 VanDerWaalsContact C-N 3.27Å; A538-A540 PolarHBondContact O-N 3.47Å; A540-E544 PolarHBondContact O-N 3.27Å
541R95.8Very high95Very high148 Ų14894.7 Ų94.756%0.55849%0.487SS*.Hα-helixtrans-65.8-44.8174.7-67.7169.7-170.61115.7111.2Q537 A538 E544 V545Q537-R541 WeakPolarHBondContact O-CG 3.35Å; Q537-R541 PolarHBondContact O-N 3.08Å; Q537-R541 VanDerWaalsContact O-N 3.12Å; Q537-R541 PolarHBondContact O-NH1 3.03Å; A538-R541 WeakPolarHBondContact O-CB 3.23Å; A538-R541 PolarHBondContact O-N 3.09Å; A538-R541 VanDerWaalsContact O-N 3.12Å; R541-E544 PolarHBondContact O-N 3.02Å; R541-V545 PolarHBondContact O-N 2.87Å; R541-V545 VanDerWaalsContact O-N 3.11Å
542E93.4Very high94.7Very high90 Ų9091.6 Ų91.642%0.42148%0.477SS..Hα-helixtrans-59.2-47.2175.3-172.7-171.4173.400111.6A538 E544 V545 L546A538-E542 PolarHBondContact O-N 2.6Å; E542-E544 VanDerWaalsContact C-N 3.25Å; E542-E544 PolarHBondContact O-N 2.9Å; E542-V545 WeakPolarHBondContact O-CB 3.48Å; E542-V545 PolarHBondContact O-N 3.18Å; E542-V545 VanDerWaalsContact O-N 3.08Å; E542-L546 HydrophobicContact CG-CD1 4.14Å; E542-L546 HydrophobicContact CG-CG 4.48Å; E542-L546 WeakPolarHBondContact O-CG 3.2Å; E542-L546 PolarHBondContact O-N 3.34Å
543N93.5Very high94.5Very high84 Ų8490.2 Ų90.245%0.44947%0.468SS..Hα-helixtrans-58.5-35.3176.9-90.7-93.2000112.6L539 L546 K547L539-N543 WeakPolarHBondContact O-CB 3.09Å; L539-N543 PolarHBondContact O-N 3.46Å; L539-N543 PolarHBondContact O-ND2 2.89Å; N543-L546 PolarHBondContact O-N 3.35Å; N543-K547 VanDerWaalsContact O-CG 3.27Å; N543-K547 WeakPolarHBondContact O-CG 3.32Å; N543-K547 PolarHBondContact O-N 2.9Å
544E96.4Very high94.3Very high99 Ų9992 Ų9246%0.46347%0.472SS..Hα-helixtrans-71.2-38.2175.6-15958.6-137.900112.1A540 R541 E542 K547 V548A540-E544 PolarHBondContact O-N 3.27Å; R541-E544 PolarHBondContact O-N 3.02Å; E542-E544 VanDerWaalsContact C-N 3.25Å; E542-E544 PolarHBondContact O-N 2.9Å; E544-K547 PolarHBondContact O-N 3.32Å; E544-K547 WeakPolarHBondContact OE2-CD 3.25Å; E544-K547 WeakPolarHBondContact OE2-CE 3.47Å; E544-K547 IonicContact OE2-NZ 3.59Å; E544-K547 PolarHBondContact OE2-NZ 2.97Å; E544-V548 WeakPolarHBondContact O-CG2 3.44Å; E544-V548 PolarHBondContact O-N 3.11Å
545V94.6Very high94Very high83 Ų8390.6 Ų90.650%0.50346%0.463SS..Hα-helixtrans-60.6-45.8171.2174.80000110.8R541 E542 K547 V548 Q549R541-V545 PolarHBondContact O-N 2.87Å; R541-V545 VanDerWaalsContact O-N 3.11Å; E542-V545 WeakPolarHBondContact O-CB 3.48Å; E542-V545 PolarHBondContact O-N 3.18Å; E542-V545 VanDerWaalsContact O-N 3.08Å; V545-K547 PolarHBondContact O-N 2.91Å; V545-V548 PolarHBondContact O-N 3.22Å; V545-Q549 HydrophobicContact CG1-CG 4.44Å; V545-Q549 WeakPolarHBondContact O-CG 3.43Å; V545-Q549 PolarHBondContact O-N 3.31Å
546L92.8Very high93.4Very high79 Ų7984.8 Ų84.841%0.41444%0.442SS..Hα-helixtrans-63.1-40.3177.9-68.6171.8000112.3E542 N543 V548 Q549 L550E542-L546 HydrophobicContact CG-CD1 4.14Å; E542-L546 HydrophobicContact CG-CG 4.48Å; E542-L546 WeakPolarHBondContact O-CG 3.2Å; E542-L546 PolarHBondContact O-N 3.34Å; N543-L546 PolarHBondContact O-N 3.35Å; L546-V548 PolarHBondContact O-N 2.94Å; L546-Q549 PolarHBondContact O-N 3.49Å; L546-L550 VanDerWaalsContact O-CB 3.32Å; L546-L550 WeakPolarHBondContact O-CB 3.32Å; L546-L550 PolarHBondContact O-N 2.79Å
547K94.8Very high93Very high111 Ų11184.6 Ų84.648%0.48344%0.441SS..Hα-helixtrans-59.1-44.3171.4-73.6171.9-142.2165.50112N543 E544 V545 L550 K551N543-K547 VanDerWaalsContact O-CG 3.27Å; N543-K547 WeakPolarHBondContact O-CG 3.32Å; N543-K547 PolarHBondContact O-N 2.9Å; E544-K547 PolarHBondContact O-N 3.32Å; E544-K547 WeakPolarHBondContact OE2-CD 3.25Å; E544-K547 WeakPolarHBondContact OE2-CE 3.47Å; E544-K547 IonicContact OE2-NZ 3.59Å; E544-K547 PolarHBondContact OE2-NZ 2.97Å; V545-K547 PolarHBondContact O-N 2.91Å; K547-L550 PolarHBondContact O-N 2.81Å; K547-K551 WeakPolarHBondContact O-CB 3.49Å; K547-K551 PolarHBondContact O-N 3.37Å
548V94.4Very high92.5Very high78 Ų7885.8 Ų85.847%0.47345%0.447SS..Hα-helixtrans-66.3-41.8179.1170.70000111.3E544 V545 L546 K551 K552E544-V548 WeakPolarHBondContact O-CG2 3.44Å; E544-V548 PolarHBondContact O-N 3.11Å; V545-V548 PolarHBondContact O-N 3.22Å; L546-V548 PolarHBondContact O-N 2.94Å; V548-K551 PolarHBondContact O-N 3.39Å; V548-K552 PolarHBondContact O-N 3.45Å
549Q92.4Very high91.7Very high56 Ų5687.2 Ų87.226%0.26245%0.445SS..Hα-helixtrans-61.2-50.8173.2-70.8179.55.400111.4V545 L546 K551 K552 Y553V545-Q549 HydrophobicContact CG1-CG 4.44Å; V545-Q549 WeakPolarHBondContact O-CG 3.43Å; V545-Q549 PolarHBondContact O-N 3.31Å; L546-Q549 PolarHBondContact O-N 3.49Å; Q549-K551 VanDerWaalsContact C-N 3.3Å; Q549-K551 PolarHBondContact O-N 3.19Å; Q549-K552 WeakPolarHBondContact O-CB 3.41Å; Q549-K552 PolarHBondContact O-N 2.96Å; Q549-Y553 HydrophobicContact CB-CE2 4.36Å; Q549-Y553 WeakPolarHBondContact O-CD2 3.36Å; Q549-Y553 PolarHBondContact O-N 2.93Å
550L92.8Very high90.9Very high111 Ų11187.5 Ų87.558%0.58145%0.447SS*.Hα-helixtrans-57.4-42.7177.8-179.261.8000111.7L546 K547 K552 Y553 V554L546-L550 VanDerWaalsContact O-CB 3.32Å; L546-L550 WeakPolarHBondContact O-CB 3.32Å; L546-L550 PolarHBondContact O-N 2.79Å; K547-L550 PolarHBondContact O-N 2.81Å; L550-K552 VanDerWaalsContact C-N 3.35Å; L550-K552 PolarHBondContact O-N 3.26Å; L550-Y553 PolarHBondContact O-N 3.24Å; L550-V554 HydrophobicContact CD1-CG2 4.17Å; L550-V554 HydrophobicContact CG-CG2 4.43Å; L550-V554 WeakPolarHBondContact O-CB 3.18Å; L550-V554 WeakPolarHBondContact O-CG2 3.31Å; L550-V554 PolarHBondContact O-N 3.01Å
551K93.3Very high90.2Very high170 Ų17092.6 Ų92.674%0.73946%0.459SS*.Hα-helixtrans-62-39.7175.7-172.7175.7-178.8178.30112.3K547 V548 Q549 G555K547-K551 WeakPolarHBondContact O-CB 3.49Å; K547-K551 PolarHBondContact O-N 3.37Å; V548-K551 PolarHBondContact O-N 3.39Å; Q549-K551 VanDerWaalsContact C-N 3.3Å; Q549-K551 PolarHBondContact O-N 3.19Å; K551-G555 PolarHBondContact O-N 2.85Å; K551-G555 VanDerWaalsContact O-N 3.08Å
552K91.5Very high89.2Confident74 Ų7493.8 Ų93.832%0.32246%0.463SS..Hα-helixtrans-63.2-48.6172.4-76.4-174.7164.3-163.10111.5V548 Q549 L550 G555 A556 F581 D584V548-K552 PolarHBondContact O-N 3.45Å; Q549-K552 WeakPolarHBondContact O-CB 3.41Å; Q549-K552 PolarHBondContact O-N 2.96Å; L550-K552 VanDerWaalsContact C-N 3.35Å; L550-K552 PolarHBondContact O-N 3.26Å; K552-G555 PolarHBondContact O-N 3.01Å; K552-A556 PolarHBondContact O-N 2.91Å; K552-F581 HydrophobicContact CB-CE2 3.89Å; K552-F581 HydrophobicContact CB-CZ 3.75Å; K552-F581 HydrophobicContact CD-CE2 3.94Å; K552-F581 HydrophobicContact CD-CZ 4.09Å; K552-F581 HydrophobicContact CG-CE2 4.26Å; K552-F581 HydrophobicContact CG-CZ 4.47Å; K552-D584 IonicContact NZ-OD2 3.22Å; K552-D584 PolarHBondContact NZ-OD2 3.11Å
553Y92.3Very high87.6Confident86 Ų8692.5 Ų92.534%0.33746%0.457SS..Hα-helixtrans-60.7-46.6179.3-75.4-61.5000112.4Q549 L550 G555 A556 V557 F581 Q585Q549-Y553 HydrophobicContact CB-CE2 4.36Å; Q549-Y553 WeakPolarHBondContact O-CD2 3.36Å; Q549-Y553 PolarHBondContact O-N 2.93Å; L550-Y553 PolarHBondContact O-N 3.24Å; Y553-G555 VanDerWaalsContact C-N 3.27Å; Y553-G555 PolarHBondContact O-N 3.06Å; Y553-A556 PolarHBondContact O-N 2.97Å; Y553-V557 WeakPolarHBondContact O-CG2 3.36Å; Y553-V557 PolarHBondContact O-N 3.22Å; Y553-F581 HydrophobicContact CE1-CE1 4.44Å; Y553-Q585 PolarHBondContact OH-NE2 2.83Å; Y553-Q585 PolarHBondContact OH-OE1 3.32Å; Y553-Q585 VanDerWaalsContact OH-OE1 3.07Å
554V92.1Very high86.1Confident68 Ų6892 Ų9241%0.41247%0.471SS..Hα-helixtrans-59.9-39.3175.6170.60000110.9L550 V557 Q558L550-V554 HydrophobicContact CD1-CG2 4.17Å; L550-V554 HydrophobicContact CG-CG2 4.43Å; L550-V554 WeakPolarHBondContact O-CB 3.18Å; L550-V554 WeakPolarHBondContact O-CG2 3.31Å; L550-V554 PolarHBondContact O-N 3.01Å; V554-V557 PolarHBondContact O-N 3.24Å; V554-Q558 HydrophobicContact CG1-CG 4.49Å; V554-Q558 WeakPolarHBondContact O-CB 3.21Å; V554-Q558 VanDerWaalsContact O-CG 3.27Å; V554-Q558 WeakPolarHBondContact O-CG 3.32Å; V554-Q558 PolarHBondContact O-N 3.21Å
555G90.7Very high84.2Confident27 Ų2791.9 Ų91.928%0.27848%0.482SS..Hα-helixtrans-59.7-49.3172.700000113K551 K552 Y553 V557 Q558 M559K551-G555 PolarHBondContact O-N 2.85Å; K551-G555 VanDerWaalsContact O-N 3.08Å; K552-G555 PolarHBondContact O-N 3.01Å; Y553-G555 VanDerWaalsContact C-N 3.27Å; Y553-G555 PolarHBondContact O-N 3.06Å; G555-V557 PolarHBondContact O-N 2.86Å; G555-Q558 PolarHBondContact O-N 3.09Å; G555-M559 WeakPolarHBondContact O-CG 3.26Å; G555-M559 PolarHBondContact O-N 3.3Å
556A85.5Confident82.4Confident21 Ų2194.4 Ų94.417%0.17449%0.488CS..Hα-helixtrans-60-45.1177.700000112.3K552 Y553 Q558 M559 L560K552-A556 PolarHBondContact O-N 2.91Å; Y553-A556 PolarHBondContact O-N 2.97Å; A556-Q558 VanDerWaalsContact C-N 3.33Å; A556-Q558 PolarHBondContact O-N 3Å; A556-M559 PolarHBondContact O-N 3.15Å; A556-L560 WeakPolarHBondContact O-CG 3.39Å; A556-L560 PolarHBondContact O-N 3.39Å
557V86.4Confident80.6Confident95 Ų9594 Ų9458%0.57650%0.504SS*.Hα-helixtrans-62.6-38176.4172.20000111.9Y553 V554 G555 K561Y553-V557 WeakPolarHBondContact O-CG2 3.36Å; Y553-V557 PolarHBondContact O-N 3.22Å; V554-V557 PolarHBondContact O-N 3.24Å; G555-V557 PolarHBondContact O-N 2.86Å; V557-K561 WeakPolarHBondContact O-CB 3.41Å; V557-K561 PolarHBondContact O-N 3.31Å
558Q86.9Confident78.6Confident131 Ų13195.7 Ų95.761%0.61252%0.518SS*.Hα-helixtrans-66.5-35.4175.3-75.817711.400112.9V554 G555 A556 R562V554-Q558 HydrophobicContact CG1-CG 4.49Å; V554-Q558 WeakPolarHBondContact O-CB 3.21Å; V554-Q558 VanDerWaalsContact O-CG 3.27Å; V554-Q558 WeakPolarHBondContact O-CG 3.32Å; V554-Q558 PolarHBondContact O-N 3.21Å; G555-Q558 PolarHBondContact O-N 3.09Å; A556-Q558 VanDerWaalsContact C-N 3.33Å; A556-Q558 PolarHBondContact O-N 3Å; Q558-R562 PolarHBondContact O-N 3.12Å
559M77.7Confident76.7Confident81 Ų8199.3 Ų99.340%0.39954%0.535SS..Hα-helixtrans-70.8-47.9175.7-64.4-165.5-49.200111.6G555 A556 K561 R562 E563 F577G555-M559 WeakPolarHBondContact O-CG 3.26Å; G555-M559 PolarHBondContact O-N 3.3Å; A556-M559 PolarHBondContact O-N 3.15Å; M559-K561 PolarHBondContact O-N 2.92Å; M559-R562 CarbonylContact O-C 3.59Å; M559-R562 WeakPolarHBondContact O-CA 3.22Å; M559-R562 WeakPolarHBondContact O-CB 3.47Å; M559-R562 PolarHBondContact O-N 2.99Å; M559-E563 PolarHBondContact O-N 3.34Å; M559-F577 HydrophobicContact CE-CD1 3.76Å; M559-F577 HydrophobicContact CE-CE1 3.49Å; M559-F577 VanDerWaalsContact CE-CE1 3.49Å; M559-F577 HydrophobicContact CE-CZ 4.06Å
560L78.4Confident74.8Confident89 Ų89102 Ų10247%0.46655%0.551SS.*Hα-helixtrans-57.1-37.8175.6-70.3169.5000112.2A556 R562 G564 V578A556-L560 WeakPolarHBondContact O-CG 3.39Å; A556-L560 PolarHBondContact O-N 3.39Å; L560-R562 VanDerWaalsContact C-N 3.32Å; L560-R562 PolarHBondContact O-N 3.17Å; L560-G564 PolarHBondContact O-N 3.18Å; L560-V578 HydrophobicContact CD2-CG2 4.14Å
561K78.1Confident73Confident164 Ų16499.6 Ų99.671%0.71355%0.547SS*.Hα-helixtrans-68.8-27.7174.7-170.8170.9-177.9175.60113.3V557 M559 S565V557-K561 WeakPolarHBondContact O-CB 3.41Å; V557-K561 PolarHBondContact O-N 3.31Å; M559-K561 PolarHBondContact O-N 2.92Å; K561-S565 PolarHBondContact O-OG 3.14Å
562R75.5Confident71.2Confident173 Ų17395.2 Ų95.265%0.65354%0.538SS*.Hα-helixtrans-77.3-46.5173.8-177.2-179.2-67.7167-0.8111.3Q558 M559 L560 G564 S565 Q566Q558-R562 PolarHBondContact O-N 3.12Å; M559-R562 CarbonylContact O-C 3.59Å; M559-R562 WeakPolarHBondContact O-CA 3.22Å; M559-R562 WeakPolarHBondContact O-CB 3.47Å; M559-R562 PolarHBondContact O-N 2.99Å; L560-R562 VanDerWaalsContact C-N 3.32Å; L560-R562 PolarHBondContact O-N 3.17Å; R562-G564 PolarHBondContact O-N 2.93Å; R562-S565 CarbonylContact O-C 3.55Å; R562-S565 WeakPolarHBondContact O-CA 3.34Å; R562-S565 WeakPolarHBondContact O-CB 3.4Å; R562-S565 PolarHBondContact O-N 3.39Å; R562-Q566 PolarHBondContact O-N 3.04Å
563E60.1Low69.6Low62 Ų6293.7 Ų93.729%0.2954%0.539SS..Hα-helixtrans-58.3-46.8175.2-70.3177.2150.500110.8M559 S565 Q566 G574M559-E563 PolarHBondContact O-N 3.34Å; E563-S565 PolarHBondContact O-N 3.18Å; E563-Q566 PolarHBondContact O-N 3.38Å; E563-G574 WeakPolarHBondContact OE1-CA 3.33Å; E563-G574 PolarHBondContact OE1-N 3.42Å; E563-G574 WeakPolarHBondContact OE2-CA 3.43Å
564G61.1Low67.8Low73 Ų7389.8 Ų89.875%0.75353%0.525SS*.THydrogen-bonded Turntrans-63.7-3.4173.300000115.6L560 R562L560-G564 PolarHBondContact O-N 3.18Å; R562-G564 PolarHBondContact O-N 2.93Å
565S57.8Low66.3Low98 Ų9894.9 Ų94.969%0.68554%0.542SS*.THydrogen-bonded Turntrans-109.7-1.2174.1-54.80000113.4K561 R562 E563K561-S565 PolarHBondContact O-OG 3.14Å; R562-S565 CarbonylContact O-C 3.55Å; R562-S565 WeakPolarHBondContact O-CA 3.34Å; R562-S565 WeakPolarHBondContact O-CB 3.4Å; R562-S565 PolarHBondContact O-N 3.39Å; E563-S565 PolarHBondContact O-N 3.18Å
566Q56.1Low65Low135 Ų135103 Ų10363%0.63156%0.564SS**SBendtrans-122.3135176.9-65-174.8-99.600109.3R562 E563 N568R562-Q566 PolarHBondContact O-N 3.04Å; E563-Q566 PolarHBondContact O-N 3.38Å; Q566-N568 PolarHBondContact O-N 3.42Å
567G55.1Low63.9Low72 Ų72106.2 Ų106.274%0.74258%0.575SS**  trans-66.898.1-159.200000116D569G567-D569 PolarHBondContact O-N 3.38Å
568N53.1Low62.8Low146 Ų146104.2 Ų104.278%0.78156%0.562SS**SBendtrans56.7-22.8147.2-146.158.8000121.3Q566Q566-N568 PolarHBondContact O-N 3.42Å
569D54.1Low61.8Low154 Ų154101.5 Ų101.582%0.82456%0.558SS**THydrogen-bonded Turntrans-83.2-21.7-174.7-69.8-27.8000113.6G567G567-D569 PolarHBondContact O-N 3.38Å
570D53.2Low61.6Low111 Ų111105 Ų10559%0.59457%0.567SS**THydrogen-bonded Turntrans-92.12.8-176.9-144.50.8000113.7S572 A573D570-S572 PolarHBondContact O-N 3.38Å; D570-A573 WeakPolarHBondContact O-CB 3.21Å; D570-A573 PolarHBondContact O-N 2.96Å; D570-A573 WeakPolarHBondContact OD1-CB 3.4Å
571A54.4Low61.1Low62 Ų62102.1 Ų102.151%0.51255%0.551SS.*Hα-helixtrans-58.3-21.4-175.100000114.2F575A571-F575 PolarHBondContact O-N 3.38Å
572S55.6Low60.6Low78 Ų7899.4 Ų99.455%0.54554%0.543SS..Hα-helixtrans-74.3-24175.177.70000113.9D570 R576D570-S572 PolarHBondContact O-N 3.38Å; S572-R576 WeakPolarHBondContact O-CD 3.46Å; S572-R576 VanDerWaalsContact O-CG 3.27Å; S572-R576 WeakPolarHBondContact O-CG 3.42Å; S572-R576 PolarHBondContact O-N 3.36Å
573A56.6Low60.2Low42 Ų4293.8 Ų93.835%0.34753%0.533SS..Hα-helixtrans-75.2-51.4176.200000110.8D570 F575 R576 F577D570-A573 WeakPolarHBondContact O-CB 3.21Å; D570-A573 PolarHBondContact O-N 2.96Å; D570-A573 WeakPolarHBondContact OD1-CB 3.4Å; A573-F575 VanDerWaalsContact C-N 3.34Å; A573-F575 PolarHBondContact O-N 2.94Å; A573-R576 PolarHBondContact O-N 3.32Å; A573-R576 VanDerWaalsContact O-N 3.13Å; A573-F577 PolarHBondContact O-N 3.13Å
574G55.4Low60.5Low4 Ų492.1 Ų92.14%0.04153%0.527CS..Hα-helixtrans-54.7-46176.200000112.8E563 R576 F577 V578E563-G574 WeakPolarHBondContact OE1-CA 3.33Å; E563-G574 PolarHBondContact OE1-N 3.42Å; E563-G574 WeakPolarHBondContact OE2-CA 3.43Å; G574-R576 VanDerWaalsContact C-N 3.34Å; G574-R576 PolarHBondContact O-N 2.86Å; G574-F577 PolarHBondContact O-N 3.08Å; G574-V578 WeakPolarHBondContact O-CG2 3.4Å; G574-V578 PolarHBondContact O-N 3.5Å
575F60.4Low60.6Low174 Ų17490.6 Ų90.676%0.76350%0.5SS*.Hα-helixtrans-63.8-36.8178.7-144.7-86.9000113A571 A573 S579A571-F575 PolarHBondContact O-N 3.38Å; A573-F575 VanDerWaalsContact C-N 3.34Å; A573-F575 PolarHBondContact O-N 2.94Å; F575-S579 WeakPolarHBondContact O-CB 3.22Å; F575-S579 PolarHBondContact O-N 3.11Å; F575-S579 VanDerWaalsContact O-N 3.12Å
576R63Low60.7Low197 Ų19787.2 Ų87.274%0.74348%0.481SS*.Hα-helixtrans-69-39.3173.7-75.8174.2173.3-166.4-1.4112S572 A573 G574 S579 W580S572-R576 WeakPolarHBondContact O-CD 3.46Å; S572-R576 VanDerWaalsContact O-CG 3.27Å; S572-R576 WeakPolarHBondContact O-CG 3.42Å; S572-R576 PolarHBondContact O-N 3.36Å; A573-R576 PolarHBondContact O-N 3.32Å; A573-R576 VanDerWaalsContact O-N 3.13Å; G574-R576 VanDerWaalsContact C-N 3.34Å; G574-R576 PolarHBondContact O-N 2.86Å; R576-S579 PolarHBondContact O-N 2.92Å; R576-W580 PolarHBondContact O-N 2.98Å
577F62.8Low60.8Low90 Ų9084.1 Ų84.140%0.39547%0.474SS..Hα-helixtrans-68.5-42177.6-168.9-87.5000112.2M559 A573 G574 S579 W580 F581M559-F577 HydrophobicContact CE-CD1 3.76Å; M559-F577 HydrophobicContact CE-CE1 3.49Å; M559-F577 VanDerWaalsContact CE-CE1 3.49Å; M559-F577 HydrophobicContact CE-CZ 4.06Å; A573-F577 PolarHBondContact O-N 3.13Å; G574-F577 PolarHBondContact O-N 3.08Å; F577-S579 VanDerWaalsContact C-N 3.34Å; F577-S579 PolarHBondContact O-N 2.76Å; F577-W580 HydrophobicContact CE2-CE3 4.31Å; F577-W580 HydrophobicContact CZ-CE3 4.45Å; F577-W580 HydrophobicContact CZ-CZ3 4.49Å; F577-W580 PolarHBondContact O-N 3.13Å; F577-F581 HydrophobicContact CE1-CB 4.37Å; F577-F581 HydrophobicContact CE1-CD2 4.42Å; F577-F581 VanDerWaalsContact O-CB 3.31Å; F577-F581 WeakPolarHBondContact O-CB 3.34Å; F577-F581 PolarHBondContact O-N 3.41Å
578V63.6Low60.8Low53 Ų5387.5 Ų87.532%0.32147%0.465SS..Hα-helixtrans-60.1-44174.2169.50000110.9L560 G574 F581 L582L560-V578 HydrophobicContact CD2-CG2 4.14Å; G574-V578 WeakPolarHBondContact O-CG2 3.4Å; G574-V578 PolarHBondContact O-N 3.5Å; V578-F581 PolarHBondContact O-N 2.94Å; V578-L582 HydrophobicContact CG1-CD1 3.86Å; V578-L582 WeakPolarHBondContact O-CB 3.4Å; V578-L582 WeakPolarHBondContact O-CG 3.23Å; V578-L582 PolarHBondContact O-N 2.88Å
579S66.4Low60.7Low74 Ų7483 Ų8352%0.51744%0.44SS..Hα-helixtrans-60.9-44.9174.7-175.70000112.5F575 R576 F577 L582 A583F575-S579 WeakPolarHBondContact O-CB 3.22Å; F575-S579 PolarHBondContact O-N 3.11Å; F575-S579 VanDerWaalsContact O-N 3.12Å; R576-S579 PolarHBondContact O-N 2.92Å; F577-S579 VanDerWaalsContact C-N 3.34Å; F577-S579 PolarHBondContact O-N 2.76Å; S579-L582 PolarHBondContact O-N 3.34Å; S579-A583 WeakPolarHBondContact O-CB 3.16Å; S579-A583 PolarHBondContact O-N 3.38Å
580W72.6Confident60.8Low155 Ų15584.5 Ų84.559%0.58743%0.434SS*.Hα-helixtrans-64-40.3175.5-177.285.1000112.8R576 F577 A583 D584R576-W580 PolarHBondContact O-N 2.98Å; F577-W580 HydrophobicContact CE2-CE3 4.31Å; F577-W580 HydrophobicContact CZ-CE3 4.45Å; F577-W580 HydrophobicContact CZ-CZ3 4.49Å; F577-W580 PolarHBondContact O-N 3.13Å; W580-A583 PolarHBondContact O-N 3.18Å; W580-D584 PolarHBondContact O-N 2.94Å
581F68Low60.6Low28 Ų2887.4 Ų87.412%0.12344%0.444CS..Hα-helixtrans-67.1-41.9179.1-177-86.8000112.1K552 Y553 F577 V578 A583 D584 Q585K552-F581 HydrophobicContact CB-CE2 3.89Å; K552-F581 HydrophobicContact CB-CZ 3.75Å; K552-F581 HydrophobicContact CD-CE2 3.94Å; K552-F581 HydrophobicContact CD-CZ 4.09Å; K552-F581 HydrophobicContact CG-CE2 4.26Å; K552-F581 HydrophobicContact CG-CZ 4.47Å; Y553-F581 HydrophobicContact CE1-CE1 4.44Å; F577-F581 HydrophobicContact CE1-CB 4.37Å; F577-F581 HydrophobicContact CE1-CD2 4.42Å; F577-F581 VanDerWaalsContact O-CB 3.31Å; F577-F581 WeakPolarHBondContact O-CB 3.34Å; F577-F581 PolarHBondContact O-N 3.41Å; V578-F581 PolarHBondContact O-N 2.94Å; F581-A583 VanDerWaalsContact C-N 3.31Å; F581-A583 PolarHBondContact O-N 3.02Å; F581-D584 PolarHBondContact O-N 2.92Å; F581-Q585 PolarHBondContact O-N 3.42Å
582L67.3Low60.5Low107 Ų10788.8 Ų88.856%0.5645%0.446SS*.Hα-helixtrans-63.2-36.4172-75.3164000111.7V578 S579 G586V578-L582 HydrophobicContact CG1-CD1 3.86Å; V578-L582 WeakPolarHBondContact O-CB 3.4Å; V578-L582 WeakPolarHBondContact O-CG 3.23Å; V578-L582 PolarHBondContact O-N 2.88Å; S579-L582 PolarHBondContact O-N 3.34Å; L582-G586 PolarHBondContact O-N 2.99Å
583A67.3Low60Low54 Ų5488.3 Ų88.345%0.44645%0.454SS..Hα-helixtrans-69.9-38.7174.800000113.3S579 W580 F581 S587S579-A583 WeakPolarHBondContact O-CB 3.16Å; S579-A583 PolarHBondContact O-N 3.38Å; W580-A583 PolarHBondContact O-N 3.18Å; F581-A583 VanDerWaalsContact C-N 3.31Å; F581-A583 PolarHBondContact O-N 3.02Å; A583-S587 WeakPolarHBondContact O-CB 3.26Å; A583-S587 PolarHBondContact O-N 3.49Å; A583-S587 PolarHBondContact O-OG 3.23Å
584D67.1Low59.6Low28 Ų2891.5 Ų91.515%0.1546%0.463CS..Hα-helixtrans-61.1-47.3172.3179.259.4000110.9K552 W580 F581 S587 R588K552-D584 IonicContact NZ-OD2 3.22Å; K552-D584 PolarHBondContact NZ-OD2 3.11Å; W580-D584 PolarHBondContact O-N 2.94Å; F581-D584 PolarHBondContact O-N 2.92Å; D584-S587 PolarHBondContact O-N 3.45Å; D584-R588 VanDerWaalsContact CG-NE 3.27Å; D584-R588 WeakPolarHBondContact O-CG 3.46Å; D584-R588 PolarHBondContact O-N 3.45Å; D584-R588 VanDerWaalsContact O-N 3.14Å; D584-R588 IonicContact OD1-CZ 2.79Å; D584-R588 IonicContact OD1-NE 3.9Å; D584-R588 PolarHBondContact OD1-NE 2.9Å; D584-R588 IonicContact OD1-NH2 3.18Å; D584-R588 PolarHBondContact OD1-NH2 3.43Å; D584-R588 IonicContact OD2-CZ 2.77Å; D584-R588 IonicContact OD2-NE 3.65Å; D584-R588 PolarHBondContact OD2-NE 3.22Å; D584-R588 VanDerWaalsContact OD2-NE 3.13Å; D584-R588 IonicContact OD2-NH2 2.68Å; D584-R588 PolarHBondContact OD2-NH2 3.02Å
585Q62.2Low59.1Low40 Ų4098.4 Ų98.419%0.18750%0.499CS..Hα-helixtrans-69.4-44.3179.5-165.2173.418.300112.1Y553 F581 S587 R588 N589Y553-Q585 PolarHBondContact OH-NE2 2.83Å; Y553-Q585 PolarHBondContact OH-OE1 3.32Å; Y553-Q585 VanDerWaalsContact OH-OE1 3.07Å; F581-Q585 PolarHBondContact O-N 3.42Å; Q585-S587 PolarHBondContact O-N 2.91Å; Q585-R588 PolarHBondContact O-N 3.2Å; Q585-R588 VanDerWaalsContact O-N 3.07Å; Q585-N589 PolarHBondContact O-N 2.92Å
586G60.3Low58.5Low28 Ų2892.8 Ų92.829%0.28949%0.49SS..Hα-helixtrans-68-14.2177.100000114.6L582 R590L582-G586 PolarHBondContact O-N 2.99Å; G586-R590 VanDerWaalsContact O-CZ 3.31Å; G586-R590 PolarHBondContact O-NE 2.62Å; G586-R590 PolarHBondContact O-NH2 2.81Å
587S58Low57.8Low70 Ų7090.1 Ų90.149%0.4950%0.495SS..Hα-helixtrans-84.9-39.8167-57.90000111.4A583 D584 Q585A583-S587 WeakPolarHBondContact O-CB 3.26Å; A583-S587 PolarHBondContact O-N 3.49Å; A583-S587 PolarHBondContact O-OG 3.23Å; D584-S587 PolarHBondContact O-N 3.45Å; Q585-S587 PolarHBondContact O-N 2.91Å
588R55.2Low56.5Low143 Ų14394.8 Ų94.854%0.5452%0.516SS..Hα-helixtrans-73.1-38.4-178.5-67.8174.7-160.1-1172113.8D584 Q585 R590 Q591 T592D584-R588 VanDerWaalsContact CG-NE 3.27Å; D584-R588 WeakPolarHBondContact O-CG 3.46Å; D584-R588 PolarHBondContact O-N 3.45Å; D584-R588 VanDerWaalsContact O-N 3.14Å; D584-R588 IonicContact OD1-CZ 2.79Å; D584-R588 IonicContact OD1-NE 3.9Å; D584-R588 PolarHBondContact OD1-NE 2.9Å; D584-R588 IonicContact OD1-NH2 3.18Å; D584-R588 PolarHBondContact OD1-NH2 3.43Å; D584-R588 IonicContact OD2-CZ 2.77Å; D584-R588 IonicContact OD2-NE 3.65Å; D584-R588 PolarHBondContact OD2-NE 3.22Å; D584-R588 VanDerWaalsContact OD2-NE 3.13Å; D584-R588 IonicContact OD2-NH2 2.68Å; D584-R588 PolarHBondContact OD2-NH2 3.02Å; Q585-R588 PolarHBondContact O-N 3.2Å; Q585-R588 VanDerWaalsContact O-N 3.07Å; R588-R590 VanDerWaalsContact C-N 3.29Å; R588-R590 PolarHBondContact O-N 3.37Å; R588-Q591 WeakPolarHBondContact O-CA 3.29Å; R588-Q591 VanDerWaalsContact O-CB 3.31Å; R588-Q591 WeakPolarHBondContact O-CB 3.25Å; R588-Q591 PolarHBondContact O-N 3.35Å; R588-T592 PolarHBondContact O-N 3.13Å
589N52.2Low55.2Low50 Ų50100.4 Ų100.427%0.26754%0.543SS..G310 helixtrans-60.8-37.8179.4-112.252.3000112.5Q585 Q591 T592 G593 M594Q585-N589 PolarHBondContact O-N 2.92Å; N589-Q591 PolarHBondContact O-N 3.19Å; N589-T592 PolarHBondContact O-N 3.3Å; N589-T592 VanDerWaalsContact O-N 3.1Å; N589-T592 PolarHBondContact O-OG1 3.41Å; N589-G593 PolarHBondContact O-N 2.98Å; N589-M594 PolarHBondContact ND2-O 3.12Å
590R54.7Low53.7Low186 Ų186108.3 Ų108.370%0.70258%0.578SS**G310 helixtrans-66.9-16173.3-81.8180-76.4-162.3-3.9113.9G586 R588G586-R590 VanDerWaalsContact O-CZ 3.31Å; G586-R590 PolarHBondContact O-NE 2.62Å; G586-R590 PolarHBondContact O-NH2 2.81Å; R588-R590 VanDerWaalsContact C-N 3.29Å; R588-R590 PolarHBondContact O-N 3.37Å
591Q49.8Very low52.8Low172 Ų172106 Ų10680%0.80458%0.578SS**G310 helixtrans-91.4-11.9173.9-147.371.555.500112.8R588 N589R588-Q591 WeakPolarHBondContact O-CA 3.29Å; R588-Q591 VanDerWaalsContact O-CB 3.31Å; R588-Q591 WeakPolarHBondContact O-CB 3.25Å; R588-Q591 PolarHBondContact O-N 3.35Å; N589-Q591 PolarHBondContact O-N 3.19Å
592T51.3Low52Low91 Ų91110.1 Ų110.156%0.55860%0.602SS**THydrogen-bonded Turntrans-1176.1-176.459.70000114.2R588 N589 M594R588-T592 PolarHBondContact O-N 3.13Å; N589-T592 PolarHBondContact O-N 3.3Å; N589-T592 VanDerWaalsContact O-N 3.1Å; N589-T592 PolarHBondContact O-OG1 3.41Å; T592-M594 PolarHBondContact O-N 2.99Å
593G46.6Very low51.1Low68 Ų68110.2 Ų110.270%0.70160%0.604SS**THydrogen-bonded Turntrans68.412.4173.100000115.9N589 D595N589-G593 PolarHBondContact O-N 2.98Å; G593-D595 PolarHBondContact O-N 3.01Å
594M46.5Very low50.2Low110 Ų110113.5 Ų113.554%0.54261%0.613SS.*  trans-9570.9-179.8-63.6-175.788.500110.8N589 T592 G596N589-M594 PolarHBondContact ND2-O 3.12Å; T592-M594 PolarHBondContact O-N 2.99Å; M594-G596 PolarHBondContact O-N 3.25Å
595D45.9Very low49.1Very low149 Ų149118.9 Ų118.980%0.79764%0.642SS**  trans-76.986170.4-79.8-36.3000110G593G593-D595 PolarHBondContact O-N 3.01Å
596G48.3Very low48.2Very low56 Ų56124.1 Ų124.158%0.57767%0.673SS**  trans-158.3117.6-176.700000114.6M594M594-G596 PolarHBondContact O-N 3.25Å
597V46.9Very low47.4Very low140 Ų140131 Ų13185%0.84870%0.7SS**  trans57.587.8155.2-164.70000117.2
598F35.6Very low46.6Very low188 Ų188135.7 Ų135.783%0.82572%0.716SS**  trans-147.2102.9132.9-109-75.8000109.7
599L37.4Very low45.8Very low172 Ų172135.1 Ų135.190%0.90173%0.731SS**  trans-138.5104.1171.5-106.7172.1000108
600L34.9Very low45.3Very low239 Ų239142.8 Ų142.8100%1.25177%0.773SS**  trans-155.40169-105.6171.1000107.8

Retrieved 600 of 600 residues in 121.7 ms (Link to these results)

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