A0A077ZMW2_TRITR Loading...

BrkDBD and DDE 1 and HTH Tnp Tc5 domain containin g protein

AlphaFold DB , UniProt , Accession A0A077ZMW2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 324 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M48Very low82.5Confident245 Ų245101.2 Ų101.2100%1.20747%0.472SS*.  0111.90-159.1-176.1-145.700109.8R3M1-R3 PolarHBondContact O-N 3.11Å
2K56.3Low83.6Confident202 Ų20296.3 Ų96.388%0.87845%0.451SS*.  trans-70.6123177.2-79.6-179.3178.51740109.5K4K2-K4 PolarHBondContact O-N 2.92Å; K2-K4 VanDerWaalsContact O-N 3.14Å
3R70.7Confident84.6Confident257 Ų25796.5 Ų96.597%0.9745%0.452SS*.  trans-58.2116172.1-86.7-178165.9174.2-3.7109.4M1M1-R3 PolarHBondContact O-N 3.11Å
4K81.6Confident85.4Confident161 Ų16189.6 Ų89.670%0.742%0.42SS*.  trans-79.6143.2172.9-68-175.8178.5-179.90110.1K2 Y6K2-K4 PolarHBondContact O-N 2.92Å; K2-K4 VanDerWaalsContact O-N 3.14Å; K4-Y6 HydrophobicContact CB-CE2 3.67Å; K4-Y6 WeakPolarHBondContact CD-OH 3.13Å
5S86.5Confident86.1Confident66 Ų6683.7 Ų83.746%0.46239%0.392SS..  trans-124.9129177.7179.80000109.9
6Y91.7Very high86.8Confident41 Ų4186.6 Ų86.616%0.16140%0.403CS..  trans-112.7144.8-173.2-56.5-90.7000111.3K4 F10 K11 V32 M36 W40 R55K4-Y6 HydrophobicContact CB-CE2 3.67Å; K4-Y6 WeakPolarHBondContact CD-OH 3.13Å; Y6-F10 AromaticContact CD1-CD1 3.44Å; Y6-F10 HydrophobicContact CD1-CD1 3.44Å; Y6-F10 VanDerWaalsContact CD1-CD1 3.44Å; Y6-F10 AromaticContact CD1-CE1 3.22Å; Y6-F10 HydrophobicContact CD1-CE1 3.22Å; Y6-F10 HydrophobicContact CD1-CG 4.21Å; Y6-F10 AromaticContact CD1-CZ 3.85Å; Y6-F10 HydrophobicContact CD1-CZ 3.85Å; Y6-F10 HydrophobicContact CE1-CD1 4.33Å; Y6-F10 AromaticContact CE1-CE1 3.67Å; Y6-F10 HydrophobicContact CE1-CE1 3.67Å; Y6-F10 AromaticContact CE1-CZ 3.98Å; Y6-F10 HydrophobicContact CE1-CZ 3.98Å; Y6-F10 AromaticContact CG-CD1 3.96Å; Y6-F10 HydrophobicContact CG-CD1 3.96Å; Y6-F10 HydrophobicContact CG-CE1 4.03Å; Y6-K11 WeakPolarHBondContact O-CE 3.45Å; Y6-V32 HydrophobicContact CE1-CG1 3.92Å; Y6-M36 HydrophobicContact CD2-CE 3.74Å; Y6-M36 HydrophobicContact CE2-CE 3.37Å; Y6-W40 HydrophobicContact CD1-CH2 4.28Å; Y6-W40 AromaticContact CD2-CH2 3.87Å; Y6-W40 HydrophobicContact CD2-CH2 3.87Å; Y6-W40 AromaticContact CD2-CZ2 3.86Å; Y6-W40 HydrophobicContact CD2-CZ2 3.86Å; Y6-W40 HydrophobicContact CE2-CH2 4.39Å; Y6-W40 AromaticContact CG-CH2 3.81Å; Y6-W40 HydrophobicContact CG-CH2 3.81Å; Y6-W40 HydrophobicContact CG-CZ2 4.08Å; Y6-R55 WeakPolarHBondContact O-CA 3.44Å
7T93.6Very high87.3Confident41 Ų4182.5 Ų82.525%0.25239%0.385SS..  trans-76156177.2570000111G9 F10 K11 K52 Q54 R55T7-G9 PolarHBondContact O-N 3.32Å; T7-F10 PolarHBondContact O-N 3.2Å; T7-F10 WeakPolarHBondContact OG1-CB 3.27Å; T7-F10 PolarHBondContact OG1-N 2.99Å; T7-K11 WeakPolarHBondContact O-CG 3.21Å; T7-K11 PolarHBondContact O-N 2.94Å; T7-K52 WeakPolarHBondContact CB-O 3.15Å; T7-Q54 CarbonylContact C-O 3.48Å; T7-R55 HydrophobicContact CG2-CG 3.95Å
8A92.9Very high87.8Confident0 Ų077.9 Ų77.90%036%0.364CS..Hα-helixtrans-58.1-39.117600000111.7K11 L12 L47 M50 K52 Q54A8-K11 PolarHBondContact O-N 2.97Å; A8-L12 WeakPolarHBondContact O-CG 3.33Å; A8-L12 PolarHBondContact O-N 3.5Å; A8-L47 HydrophobicContact CB-CD2 4.41Å; A8-M50 HydrophobicContact CB-CB 3.89Å; A8-M50 HydrophobicContact CB-CE 4.39Å; A8-K52 PolarHBondContact N-O 3.28Å; A8-Q54 PolarHBondContact N-O 2.58Å
9G94.8Very high88.2Confident21 Ų2179.6 Ų79.622%0.21637%0.37CS..Hα-helixtrans-59.1-47.2175.300000112.9T7 K11 L12 E13 K52T7-G9 PolarHBondContact O-N 3.32Å; G9-K11 VanDerWaalsContact C-N 3.35Å; G9-K11 PolarHBondContact O-N 2.85Å; G9-L12 PolarHBondContact O-N 2.73Å; G9-E13 PolarHBondContact O-N 3.1Å; G9-K52 PolarHBondContact N-O 3.25Å
10F95.6Very high88.5Confident51 Ų5182.4 Ų82.422%0.22438%0.383CS..Hα-helixtrans-60.5-44.3176.2178.3-88.1000111.7Y6 T7 L12 E13 V14 Y30 V32 W40Y6-F10 AromaticContact CD1-CD1 3.44Å; Y6-F10 HydrophobicContact CD1-CD1 3.44Å; Y6-F10 VanDerWaalsContact CD1-CD1 3.44Å; Y6-F10 AromaticContact CD1-CE1 3.22Å; Y6-F10 HydrophobicContact CD1-CE1 3.22Å; Y6-F10 HydrophobicContact CD1-CG 4.21Å; Y6-F10 AromaticContact CD1-CZ 3.85Å; Y6-F10 HydrophobicContact CD1-CZ 3.85Å; Y6-F10 HydrophobicContact CE1-CD1 4.33Å; Y6-F10 AromaticContact CE1-CE1 3.67Å; Y6-F10 HydrophobicContact CE1-CE1 3.67Å; Y6-F10 AromaticContact CE1-CZ 3.98Å; Y6-F10 HydrophobicContact CE1-CZ 3.98Å; Y6-F10 AromaticContact CG-CD1 3.96Å; Y6-F10 HydrophobicContact CG-CD1 3.96Å; Y6-F10 HydrophobicContact CG-CE1 4.03Å; T7-F10 PolarHBondContact O-N 3.2Å; T7-F10 WeakPolarHBondContact OG1-CB 3.27Å; T7-F10 PolarHBondContact OG1-N 2.99Å; F10-L12 VanDerWaalsContact C-N 3.32Å; F10-L12 PolarHBondContact O-N 2.94Å; F10-E13 WeakPolarHBondContact O-CB 3.47Å; F10-E13 PolarHBondContact O-N 3.4Å; F10-V14 HydrophobicContact CD1-CG2 4.01Å; F10-V14 HydrophobicContact CE1-CG2 3.64Å; F10-V14 HydrophobicContact CZ-CG2 3.99Å; F10-V14 VanDerWaalsContact O-CG2 3.29Å; F10-V14 WeakPolarHBondContact O-CG2 3.29Å; F10-V14 PolarHBondContact O-N 3.49Å; F10-Y30 AromaticContact CE2-CD1 3.99Å; F10-Y30 HydrophobicContact CE2-CD1 3.99Å; F10-Y30 HydrophobicContact CZ-CD1 4.11Å; F10-Y30 HydrophobicContact CZ-CG 4.47Å; F10-V32 HydrophobicContact CE1-CG1 4.01Å; F10-V32 HydrophobicContact CZ-CG1 4.26Å; F10-W40 HydrophobicContact CD1-CH2 4.27Å; F10-W40 HydrophobicContact CD1-CZ3 4.25Å; F10-W40 HydrophobicContact CE1-CH2 4.02Å; F10-W40 AromaticContact CE1-CZ3 3.98Å; F10-W40 HydrophobicContact CE1-CZ3 3.98Å
11K95.7Very high88.7Confident28 Ų2880.9 Ų80.912%0.12238%0.382CS..Hα-helixtrans-61.9-40.7179.4-63.7174.6-175171.70111.8Y6 T7 A8 G9 V14 V15 W40 L47 R55Y6-K11 WeakPolarHBondContact O-CE 3.45Å; T7-K11 WeakPolarHBondContact O-CG 3.21Å; T7-K11 PolarHBondContact O-N 2.94Å; A8-K11 PolarHBondContact O-N 2.97Å; G9-K11 VanDerWaalsContact C-N 3.35Å; G9-K11 PolarHBondContact O-N 2.85Å; K11-V14 PolarHBondContact O-N 3.3Å; K11-V15 VanDerWaalsContact O-CG2 3.26Å; K11-V15 WeakPolarHBondContact O-CG2 3.34Å; K11-V15 PolarHBondContact O-N 3.25Å; K11-W40 HydrophobicContact CB-CB 4.47Å; K11-W40 HydrophobicContact CB-CD2 3.89Å; K11-W40 HydrophobicContact CB-CE3 4.08Å; K11-W40 HydrophobicContact CB-CG 4.06Å; K11-W40 HydrophobicContact CD-CD2 4.11Å; K11-W40 HydrophobicContact CD-CG 4.18Å; K11-W40 HydrophobicContact CD-CZ2 4.23Å; K11-W40 HydrophobicContact CG-CD2 3.61Å; K11-W40 HydrophobicContact CG-CE3 3.96Å; K11-W40 HydrophobicContact CG-CG 4.06Å; K11-W40 HydrophobicContact CG-CH2 4.11Å; K11-W40 HydrophobicContact CG-CZ2 3.79Å; K11-W40 HydrophobicContact CG-CZ3 4.21Å; K11-L47 HydrophobicContact CB-CD1 3.78Å; K11-L47 HydrophobicContact CB-CD2 4.3Å; K11-L47 HydrophobicContact CD-CD1 4.3Å; K11-L47 HydrophobicContact CD-CD2 3.72Å; K11-R55 PolarHBondContact NZ-O 3.23Å
12L96.2Very high90.9Very high42 Ų4272.3 Ų72.322%0.2234%0.341CS..Hα-helixtrans-66.6-37.1177.3-73.6169.8000112.4A8 G9 F10 V15 K16 E44 L47 K48A8-L12 WeakPolarHBondContact O-CG 3.33Å; A8-L12 PolarHBondContact O-N 3.5Å; G9-L12 PolarHBondContact O-N 2.73Å; F10-L12 VanDerWaalsContact C-N 3.32Å; F10-L12 PolarHBondContact O-N 2.94Å; L12-V15 PolarHBondContact O-N 3.3Å; L12-K16 PolarHBondContact O-N 3.16Å; L12-E44 HydrophobicContact CD2-CG 4.32Å; L12-L47 HydrophobicContact CD2-CB 3.74Å; L12-L47 HydrophobicContact CG-CB 4Å; L12-K48 HydrophobicContact CD2-CG 3.85Å
13E96.1Very high92.7Very high99 Ų9964.3 Ų64.346%0.46331%0.308SS..Hα-helixtrans-63.5-44.9175.4-160.8-165.3146.100111.5G9 F10 V15 K16 V17 Y30G9-E13 PolarHBondContact O-N 3.1Å; F10-E13 WeakPolarHBondContact O-CB 3.47Å; F10-E13 PolarHBondContact O-N 3.4Å; E13-V15 VanDerWaalsContact C-N 3.3Å; E13-V15 PolarHBondContact O-N 3.08Å; E13-K16 WeakPolarHBondContact O-CB 3.4Å; E13-K16 PolarHBondContact O-N 3.19Å; E13-V17 PolarHBondContact O-N 3.38Å; E13-V17 VanDerWaalsContact O-N 3.14Å; E13-Y30 HydrophobicContact CG-CE1 4.42Å; E13-Y30 WeakPolarHBondContact CG-OH 3.49Å; E13-Y30 WeakPolarHBondContact OE1-CE1 3.43Å; E13-Y30 PolarHBondContact OE1-OH 3.4Å
14V96.4Very high93.9Very high0 Ų053.7 Ų53.70%028%0.275CS..Hα-helixtrans-60.5-41.2174.5175.70000111.1F10 K11 A18 Y30 V32 V37 W40F10-V14 HydrophobicContact CD1-CG2 4.01Å; F10-V14 HydrophobicContact CE1-CG2 3.64Å; F10-V14 HydrophobicContact CZ-CG2 3.99Å; F10-V14 VanDerWaalsContact O-CG2 3.29Å; F10-V14 WeakPolarHBondContact O-CG2 3.29Å; F10-V14 PolarHBondContact O-N 3.49Å; K11-V14 PolarHBondContact O-N 3.3Å; V14-A18 VanDerWaalsContact O-CB 3.32Å; V14-A18 WeakPolarHBondContact O-CB 3.39Å; V14-A18 PolarHBondContact O-N 3.42Å; V14-Y30 HydrophobicContact CB-CD2 4.28Å; V14-Y30 HydrophobicContact CG1-CD2 4.36Å; V14-Y30 HydrophobicContact CG2-CD1 3.93Å; V14-Y30 HydrophobicContact CG2-CD2 3.73Å; V14-Y30 HydrophobicContact CG2-CE1 4.41Å; V14-Y30 HydrophobicContact CG2-CE2 4.23Å; V14-Y30 HydrophobicContact CG2-CG 3.57Å; V14-V32 HydrophobicContact CG1-CG2 4.22Å; V14-V37 HydrophobicContact CG1-CB 4.46Å; V14-V37 HydrophobicContact CG1-CG1 4.21Å; V14-V37 HydrophobicContact CG1-CG2 3.81Å; V14-W40 HydrophobicContact CB-CE3 4.13Å; V14-W40 HydrophobicContact CB-CZ3 4.19Å; V14-W40 HydrophobicContact CG1-CE3 3.98Å; V14-W40 HydrophobicContact CG1-CZ3 4.07Å; V14-W40 HydrophobicContact CG2-CE3 4.49Å; V14-W40 HydrophobicContact CG2-CZ3 4.06Å
15V96Very high94.5Very high1 Ų150.2 Ų50.21%0.00626%0.262CS..Hα-helixtrans-64.6-41.2176.9165.70000111.7K11 L12 E13 A18 K19 W40 R41 E44K11-V15 VanDerWaalsContact O-CG2 3.26Å; K11-V15 WeakPolarHBondContact O-CG2 3.34Å; K11-V15 PolarHBondContact O-N 3.25Å; L12-V15 PolarHBondContact O-N 3.3Å; E13-V15 VanDerWaalsContact C-N 3.3Å; E13-V15 PolarHBondContact O-N 3.08Å; V15-A18 PolarHBondContact O-N 3.49Å; V15-K19 PolarHBondContact O-N 3.44Å; V15-W40 HydrophobicContact CG2-CB 3.77Å; V15-R41 HydrophobicContact CB-CG 4.41Å; V15-R41 HydrophobicContact CG1-CG 4.1Å; V15-R41 HydrophobicContact CG2-CG 3.97Å; V15-E44 HydrophobicContact CG1-CB 4.22Å; V15-E44 HydrophobicContact CG1-CG 3.89Å
16K96.2Very high94.9Very high130 Ų13047.1 Ų47.157%0.56524%0.24SC*.Hα-helixtrans-57.6-52.9176.3-177.3-177.8173.3-176.30110.8L12 E13 A18 K19 E20L12-K16 PolarHBondContact O-N 3.16Å; E13-K16 WeakPolarHBondContact O-CB 3.4Å; E13-K16 PolarHBondContact O-N 3.19Å; K16-A18 VanDerWaalsContact C-N 3.29Å; K16-A18 PolarHBondContact O-N 3.5Å; K16-K19 PolarHBondContact O-N 3.18Å; K16-K19 VanDerWaalsContact O-N 3.11Å; K16-E20 WeakPolarHBondContact CE-OE1 3.46Å; K16-E20 IonicContact NZ-OE1 4Å; K16-E20 PolarHBondContact O-N 2.87Å; K16-E20 VanDerWaalsContact O-N 3.13Å
17V95.9Very high95.1Very high17 Ų1745.6 Ų45.610%0.10324%0.236CC..Hα-helixtrans-62.1-37.6178.1174.50000111.7E13 K19 E20 S21 A26 K29 Y30E13-V17 PolarHBondContact O-N 3.38Å; E13-V17 VanDerWaalsContact O-N 3.14Å; V17-K19 PolarHBondContact O-N 3.37Å; V17-E20 PolarHBondContact O-N 3.47Å; V17-S21 WeakPolarHBondContact O-CB 3.31Å; V17-S21 PolarHBondContact O-N 3.29Å; V17-S21 PolarHBondContact O-OG 3.49Å; V17-A26 HydrophobicContact CB-CB 4.44Å; V17-A26 HydrophobicContact CG1-CB 4.1Å; V17-K29 HydrophobicContact CG1-CD 4.06Å; V17-Y30 HydrophobicContact CB-CE2 3.89Å; V17-Y30 HydrophobicContact CG1-CE2 4.22Å; V17-Y30 HydrophobicContact CG2-CE2 3.7Å; V17-Y30 WeakPolarHBondContact CG2-OH 3.44Å
18A95.7Very high95.1Very high1 Ų152.5 Ų52.51%0.00826%0.257CS..Hα-helixtrans-67.8-23.3178.900000113.9V14 V15 K16 A26 V37 R41V14-A18 VanDerWaalsContact O-CB 3.32Å; V14-A18 WeakPolarHBondContact O-CB 3.39Å; V14-A18 PolarHBondContact O-N 3.42Å; V15-A18 PolarHBondContact O-N 3.49Å; K16-A18 VanDerWaalsContact C-N 3.29Å; K16-A18 PolarHBondContact O-N 3.5Å; A18-A26 HydrophobicContact CB-CB 3.61Å; A18-V37 HydrophobicContact CB-CG1 3.51Å; A18-R41 HydrophobicContact CB-CG 4.4Å; A18-R41 PolarHBondContact O-NH1 2.85Å; A18-R41 VanDerWaalsContact O-NH1 3.12Å
19K95.2Very high95.3Very high110 Ų11059.3 Ų59.348%0.47829%0.287SS..Hα-helixtrans-81.7-37.9173.1-77.5-177.2166.6-177.50112.6V15 K16 V17 S21 E44V15-K19 PolarHBondContact O-N 3.44Å; K16-K19 PolarHBondContact O-N 3.18Å; K16-K19 VanDerWaalsContact O-N 3.11Å; V17-K19 PolarHBondContact O-N 3.37Å; K19-S21 VanDerWaalsContact C-N 3.33Å; K19-E44 WeakPolarHBondContact CE-OE2 3.4Å; K19-E44 IonicContact NZ-OE1 3.55Å; K19-E44 PolarHBondContact NZ-OE1 2.94Å; K19-E44 IonicContact NZ-OE2 2.76Å; K19-E44 PolarHBondContact NZ-OE2 3.16Å
20E94.9Very high95.3Very high134 Ų13460.4 Ų60.463%0.62629%0.285SS*.Hα-helixtrans-74.1-25177.9-69.2167.1177.400112.8K16 V17K16-E20 WeakPolarHBondContact CE-OE1 3.46Å; K16-E20 IonicContact NZ-OE1 4Å; K16-E20 PolarHBondContact O-N 2.87Å; K16-E20 VanDerWaalsContact O-N 3.13Å; V17-E20 PolarHBondContact O-N 3.47Å
21S93.2Very high95.2Very high51 Ų5160.7 Ų60.736%0.35730%0.302SS..SBendtrans-124.8-108.3-175.5700000110.7V17 K19 Q25V17-S21 WeakPolarHBondContact O-CB 3.31Å; V17-S21 PolarHBondContact O-N 3.29Å; V17-S21 PolarHBondContact O-OG 3.49Å; K19-S21 VanDerWaalsContact C-N 3.33Å; S21-Q25 VanDerWaalsContact CB-OE1 3.28Å
22N93.8Very high95.1Very high66 Ų6660 Ų6035%0.35330%0.3SS..  trans-153.2170.2166.362.262.7000111.3A24 Q25 A26N22-A24 PolarHBondContact O-N 3.31Å; N22-A24 WeakPolarHBondContact OD1-CA 3.42Å; N22-A24 WeakPolarHBondContact OD1-CB 3.36Å; N22-A24 PolarHBondContact OD1-N 3.06Å; N22-Q25 PolarHBondContact ND2-OE1 2.96Å; N22-Q25 PolarHBondContact O-N 3.09Å; N22-Q25 PolarHBondContact OD1-N 3.1Å; N22-A26 PolarHBondContact O-N 2.88Å
23N94.8Very high95Very high33 Ų3361.8 Ų61.818%0.17631%0.313CS..Hα-helixtrans-60.6-31.6-177.4-66.1-27.1000113.4A27 R34 V37 I38 R41N23-A27 WeakPolarHBondContact O-CB 3.49Å; N23-A27 PolarHBondContact O-N 2.93Å; N23-A27 VanDerWaalsContact O-N 3.09Å; N23-R34 HydrophobicContact CB-CG 4.24Å; N23-V37 HydrophobicContact CB-CG1 4.27Å; N23-I38 HydrophobicContact CB-CG1 4.47Å; N23-R41 WeakPolarHBondContact OD1-CD 3.48Å; N23-R41 PolarHBondContact OD1-NH1 2.81Å
24A94.4Very high94.9Very high35 Ų3564.6 Ų64.629%0.28932%0.32SS..Hα-helixtrans-76.1-41.4-178.400000111.6N22 A27 R28N22-A24 PolarHBondContact O-N 3.31Å; N22-A24 WeakPolarHBondContact OD1-CA 3.42Å; N22-A24 WeakPolarHBondContact OD1-CB 3.36Å; N22-A24 PolarHBondContact OD1-N 3.06Å; A24-A27 PolarHBondContact O-N 3.43Å; A24-R28 WeakPolarHBondContact O-CG 3.28Å; A24-R28 PolarHBondContact O-N 3.19Å
25Q94.1Very high94.8Very high88 Ų8871.6 Ų71.641%0.41135%0.35SS..Hα-helixtrans-64.6-45.5174.8-78.3173.8-34.100111.6S21 N22 A27 R28 K29S21-Q25 VanDerWaalsContact CB-OE1 3.28Å; N22-Q25 PolarHBondContact ND2-OE1 2.96Å; N22-Q25 PolarHBondContact O-N 3.09Å; N22-Q25 PolarHBondContact OD1-N 3.1Å; Q25-A27 VanDerWaalsContact C-N 3.34Å; Q25-A27 PolarHBondContact O-N 2.92Å; Q25-R28 PolarHBondContact O-N 3.42Å; Q25-K29 WeakPolarHBondContact O-CB 3.28Å; Q25-K29 PolarHBondContact O-N 3.19Å
26A95.7Very high94.8Very high0 Ų073.8 Ų73.80%036%0.361CS..Hα-helixtrans-61.5-41.7175.400000112.4V17 A18 N22 R28 K29 Y30 V37V17-A26 HydrophobicContact CB-CB 4.44Å; V17-A26 HydrophobicContact CG1-CB 4.1Å; A18-A26 HydrophobicContact CB-CB 3.61Å; N22-A26 PolarHBondContact O-N 2.88Å; A26-R28 PolarHBondContact O-N 3.15Å; A26-K29 PolarHBondContact O-N 3.06Å; A26-Y30 WeakPolarHBondContact O-CD2 3.42Å; A26-Y30 PolarHBondContact O-N 3.01Å; A26-Y30 VanDerWaalsContact O-N 3.13Å; A26-V37 HydrophobicContact CB-CG1 4.2Å
27A95.9Very high94.8Very high10 Ų1067.6 Ų67.68%0.08333%0.334CS..Hα-helixtrans-58.9-46.7175.800000112.1N23 A24 Q25 G31 V32 R34 V37N23-A27 WeakPolarHBondContact O-CB 3.49Å; N23-A27 PolarHBondContact O-N 2.93Å; N23-A27 VanDerWaalsContact O-N 3.09Å; A24-A27 PolarHBondContact O-N 3.43Å; Q25-A27 VanDerWaalsContact C-N 3.34Å; Q25-A27 PolarHBondContact O-N 2.92Å; A27-G31 PolarHBondContact O-N 3.41Å; A27-V32 CarbonylContact C-O 3.57Å; A27-V32 WeakPolarHBondContact CA-O 3.42Å; A27-V32 VanDerWaalsContact CB-O 3.29Å; A27-V32 WeakPolarHBondContact CB-O 3.45Å; A27-V32 PolarHBondContact O-N 3.31Å; A27-V32 VanDerWaalsContact O-N 3.11Å; A27-R34 HydrophobicContact CB-CB 4.39Å; A27-V37 HydrophobicContact CB-CG2 3.96Å
28R94.6Very high94.8Very high185 Ų18569.3 Ų69.370%0.69834%0.342SS*.Hα-helixtrans-63.4-48.7176.3-73.3-170.6-67.1-125.83.7112.2A24 Q25 A26 Y30 G31A24-R28 WeakPolarHBondContact O-CG 3.28Å; A24-R28 PolarHBondContact O-N 3.19Å; Q25-R28 PolarHBondContact O-N 3.42Å; A26-R28 PolarHBondContact O-N 3.15Å; R28-Y30 VanDerWaalsContact C-N 3.3Å; R28-Y30 PolarHBondContact O-N 3.28Å; R28-G31 PolarHBondContact O-N 3.48Å
29K95.5Very high94.7Very high144 Ų14471.8 Ų71.863%0.62636%0.355SS*.Hα-helixtrans-57.2-41.3-178-175.6178.3-179.5178.30112.7V17 Q25 A26V17-K29 HydrophobicContact CG1-CD 4.06Å; Q25-K29 WeakPolarHBondContact O-CB 3.28Å; Q25-K29 PolarHBondContact O-N 3.19Å; A26-K29 PolarHBondContact O-N 3.06Å
30Y94.9Very high94.7Very high43 Ų4367.4 Ų67.417%0.16934%0.335CS..Hα-helixtrans-102.23.4-174.2-69.7-80.5000114.5F10 E13 V14 V17 A26 R28 V32F10-Y30 AromaticContact CE2-CD1 3.99Å; F10-Y30 HydrophobicContact CE2-CD1 3.99Å; F10-Y30 HydrophobicContact CZ-CD1 4.11Å; F10-Y30 HydrophobicContact CZ-CG 4.47Å; E13-Y30 HydrophobicContact CG-CE1 4.42Å; E13-Y30 WeakPolarHBondContact CG-OH 3.49Å; E13-Y30 WeakPolarHBondContact OE1-CE1 3.43Å; E13-Y30 PolarHBondContact OE1-OH 3.4Å; V14-Y30 HydrophobicContact CB-CD2 4.28Å; V14-Y30 HydrophobicContact CG1-CD2 4.36Å; V14-Y30 HydrophobicContact CG2-CD1 3.93Å; V14-Y30 HydrophobicContact CG2-CD2 3.73Å; V14-Y30 HydrophobicContact CG2-CE1 4.41Å; V14-Y30 HydrophobicContact CG2-CE2 4.23Å; V14-Y30 HydrophobicContact CG2-CG 3.57Å; V17-Y30 HydrophobicContact CB-CE2 3.89Å; V17-Y30 HydrophobicContact CG1-CE2 4.22Å; V17-Y30 HydrophobicContact CG2-CE2 3.7Å; V17-Y30 WeakPolarHBondContact CG2-OH 3.44Å; A26-Y30 WeakPolarHBondContact O-CD2 3.42Å; A26-Y30 PolarHBondContact O-N 3.01Å; A26-Y30 VanDerWaalsContact O-N 3.13Å; R28-Y30 VanDerWaalsContact C-N 3.3Å; R28-Y30 PolarHBondContact O-N 3.28Å; Y30-V32 VanDerWaalsContact C-N 3.29Å; Y30-V32 PolarHBondContact O-N 3Å
31G93.7Very high94.7Very high58 Ų5865.2 Ų65.260%0.59832%0.321SS*.THydrogen-bonded Turntrans59.836.5-179.500000113.7A27 R28A27-G31 PolarHBondContact O-N 3.41Å; R28-G31 PolarHBondContact O-N 3.48Å
32V93.9Very high94.8Very high13 Ų1370.9 Ų70.98%0.07934%0.339CS..  trans-116.3158.3176.9-640000110.3Y6 F10 V14 A27 Y30 M36 V37 W40Y6-V32 HydrophobicContact CE1-CG1 3.92Å; F10-V32 HydrophobicContact CE1-CG1 4.01Å; F10-V32 HydrophobicContact CZ-CG1 4.26Å; V14-V32 HydrophobicContact CG1-CG2 4.22Å; A27-V32 CarbonylContact C-O 3.57Å; A27-V32 WeakPolarHBondContact CA-O 3.42Å; A27-V32 VanDerWaalsContact CB-O 3.29Å; A27-V32 WeakPolarHBondContact CB-O 3.45Å; A27-V32 PolarHBondContact O-N 3.31Å; A27-V32 VanDerWaalsContact O-N 3.11Å; Y30-V32 VanDerWaalsContact C-N 3.29Å; Y30-V32 PolarHBondContact O-N 3Å; V32-M36 HydrophobicContact CB-SD 4.48Å; V32-M36 HydrophobicContact CG1-CE 4.45Å; V32-V37 HydrophobicContact CG2-CG2 3.62Å; V32-W40 HydrophobicContact CB-CH2 4.49Å; V32-W40 HydrophobicContact CB-CZ3 4.42Å; V32-W40 HydrophobicContact CG1-CH2 3.96Å; V32-W40 HydrophobicContact CG1-CZ3 4.1Å; V32-W40 HydrophobicContact CG2-CZ3 4.24Å
33T93.7Very high94.7Very high79 Ų7972 Ų7249%0.48534%0.343SS..  trans-72.8148178.767.50000110.9K35 M36 V37T33-K35 PolarHBondContact O-N 3.2Å; T33-M36 HydrophobicContact CG2-SD 4.4Å; T33-M36 WeakPolarHBondContact O-CB 3.38Å; T33-M36 PolarHBondContact O-N 3Å; T33-M36 WeakPolarHBondContact OG1-CG 3.14Å; T33-M36 PolarHBondContact OG1-N 3.45Å; T33-M36 PolarHBondContact OG1-SD 3.41Å; T33-M36 VanDerWaalsContact OG1-SD 3.4Å; T33-V37 PolarHBondContact O-N 2.97Å
34R94.6Very high94.6Very high159 Ų15971.6 Ų71.660%0.634%0.34SS*.Hα-helixtrans-53.9-36.8175.5-172.4-176.7177.2-151.41112.2N23 A27 M36 V37 I38N23-R34 HydrophobicContact CB-CG 4.24Å; A27-R34 HydrophobicContact CB-CB 4.39Å; R34-M36 PolarHBondContact O-N 2.93Å; R34-V37 PolarHBondContact O-N 2.94Å; R34-I38 HydrophobicContact CG-CD1 4.11Å; R34-I38 WeakPolarHBondContact O-CG1 3.45Å; R34-I38 PolarHBondContact O-N 3.45Å
35K95Very high94.6Very high147 Ų14775.3 Ų75.364%0.63935%0.351SS*.Hα-helixtrans-58.8-44.4175.6-174.1-179.7177.1750111.9T33 V37 I38 D39T33-K35 PolarHBondContact O-N 3.2Å; K35-V37 VanDerWaalsContact C-N 3.35Å; K35-V37 PolarHBondContact O-N 2.98Å; K35-I38 PolarHBondContact O-N 3.4Å; K35-D39 WeakPolarHBondContact O-CB 3.23Å; K35-D39 VanDerWaalsContact O-CG 3.26Å; K35-D39 PolarHBondContact O-N 3.36Å
36M94.6Very high94.4Very high47 Ų4772.1 Ų72.123%0.23234%0.34CS..Hα-helixtrans-63.8-40.5178.6-68.2167.669.400112.1Y6 V32 T33 R34 D39 W40Y6-M36 HydrophobicContact CD2-CE 3.74Å; Y6-M36 HydrophobicContact CE2-CE 3.37Å; V32-M36 HydrophobicContact CB-SD 4.48Å; V32-M36 HydrophobicContact CG1-CE 4.45Å; T33-M36 HydrophobicContact CG2-SD 4.4Å; T33-M36 WeakPolarHBondContact O-CB 3.38Å; T33-M36 PolarHBondContact O-N 3Å; T33-M36 WeakPolarHBondContact OG1-CG 3.14Å; T33-M36 PolarHBondContact OG1-N 3.45Å; T33-M36 PolarHBondContact OG1-SD 3.41Å; T33-M36 VanDerWaalsContact OG1-SD 3.4Å; R34-M36 PolarHBondContact O-N 2.93Å; M36-D39 PolarHBondContact O-N 3.3Å; M36-W40 HydrophobicContact CB-CH2 4.34Å; M36-W40 HydrophobicContact CB-CZ2 4.16Å; M36-W40 HydrophobicContact CE-CH2 3.51Å; M36-W40 HydrophobicContact CE-CZ2 3.31Å; M36-W40 WeakPolarHBondContact O-CB 3.22Å; M36-W40 VanDerWaalsContact O-CD2 3.3Å; M36-W40 PolarHBondContact O-N 2.99Å
37V96Very high94.2Very high0 Ų072.2 Ų72.20%034%0.34CS..Hα-helixtrans-61.5-46.1175.8-1770000110.6V14 A18 N23 A26 A27 V32 T33 R34 K35 W40 R41V14-V37 HydrophobicContact CG1-CB 4.46Å; V14-V37 HydrophobicContact CG1-CG1 4.21Å; V14-V37 HydrophobicContact CG1-CG2 3.81Å; A18-V37 HydrophobicContact CB-CG1 3.51Å; N23-V37 HydrophobicContact CB-CG1 4.27Å; A26-V37 HydrophobicContact CB-CG1 4.2Å; A27-V37 HydrophobicContact CB-CG2 3.96Å; V32-V37 HydrophobicContact CG2-CG2 3.62Å; T33-V37 PolarHBondContact O-N 2.97Å; R34-V37 PolarHBondContact O-N 2.94Å; K35-V37 VanDerWaalsContact C-N 3.35Å; K35-V37 PolarHBondContact O-N 2.98Å; V37-W40 PolarHBondContact O-N 3.45Å; V37-R41 WeakPolarHBondContact O-CG 3.47Å; V37-R41 PolarHBondContact O-N 2.87Å
38I96.2Very high94Very high52 Ų5276.9 Ų76.927%0.26736%0.359SS..Hα-helixtrans-59.7-48.4177-68165.4000110.7N23 R34 K35 W40 R41 K42N23-I38 HydrophobicContact CB-CG1 4.47Å; R34-I38 HydrophobicContact CG-CD1 4.11Å; R34-I38 WeakPolarHBondContact O-CG1 3.45Å; R34-I38 PolarHBondContact O-N 3.45Å; K35-I38 PolarHBondContact O-N 3.4Å; I38-W40 PolarHBondContact O-N 3.02Å; I38-R41 PolarHBondContact O-N 3.14Å; I38-K42 WeakPolarHBondContact O-CG 3.33Å; I38-K42 PolarHBondContact O-N 2.95Å
39D94.4Very high93.8Very high54 Ų5476.6 Ų76.629%0.28936%0.363SS..Hα-helixtrans-64.5-39.5-179-68.1-18.5000111.7K35 M36 K42 Q43K35-D39 WeakPolarHBondContact O-CB 3.23Å; K35-D39 VanDerWaalsContact O-CG 3.26Å; K35-D39 PolarHBondContact O-N 3.36Å; M36-D39 PolarHBondContact O-N 3.3Å; D39-K42 PolarHBondContact O-N 3.33Å; D39-Q43 WeakPolarHBondContact O-CB 3.21Å; D39-Q43 VanDerWaalsContact O-CG 3.25Å; D39-Q43 WeakPolarHBondContact O-CG 3.49Å; D39-Q43 PolarHBondContact O-N 3.34Å; D39-Q43 VanDerWaalsContact O-N 3.09Å
40W95.3Very high93.5Very high17 Ų1770.8 Ų70.86%0.06434%0.338CS..Hα-helixtrans-70-34.6176.8-63.7-17.7000112.9Y6 F10 K11 V14 V15 V32 M36 V37 I38 Q43 E44 L47Y6-W40 HydrophobicContact CD1-CH2 4.28Å; Y6-W40 AromaticContact CD2-CH2 3.87Å; Y6-W40 HydrophobicContact CD2-CH2 3.87Å; Y6-W40 AromaticContact CD2-CZ2 3.86Å; Y6-W40 HydrophobicContact CD2-CZ2 3.86Å; Y6-W40 HydrophobicContact CE2-CH2 4.39Å; Y6-W40 AromaticContact CG-CH2 3.81Å; Y6-W40 HydrophobicContact CG-CH2 3.81Å; Y6-W40 HydrophobicContact CG-CZ2 4.08Å; F10-W40 HydrophobicContact CD1-CH2 4.27Å; F10-W40 HydrophobicContact CD1-CZ3 4.25Å; F10-W40 HydrophobicContact CE1-CH2 4.02Å; F10-W40 AromaticContact CE1-CZ3 3.98Å; F10-W40 HydrophobicContact CE1-CZ3 3.98Å; K11-W40 HydrophobicContact CB-CB 4.47Å; K11-W40 HydrophobicContact CB-CD2 3.89Å; K11-W40 HydrophobicContact CB-CE3 4.08Å; K11-W40 HydrophobicContact CB-CG 4.06Å; K11-W40 HydrophobicContact CD-CD2 4.11Å; K11-W40 HydrophobicContact CD-CG 4.18Å; K11-W40 HydrophobicContact CD-CZ2 4.23Å; K11-W40 HydrophobicContact CG-CD2 3.61Å; K11-W40 HydrophobicContact CG-CE3 3.96Å; K11-W40 HydrophobicContact CG-CG 4.06Å; K11-W40 HydrophobicContact CG-CH2 4.11Å; K11-W40 HydrophobicContact CG-CZ2 3.79Å; K11-W40 HydrophobicContact CG-CZ3 4.21Å; V14-W40 HydrophobicContact CB-CE3 4.13Å; V14-W40 HydrophobicContact CB-CZ3 4.19Å; V14-W40 HydrophobicContact CG1-CE3 3.98Å; V14-W40 HydrophobicContact CG1-CZ3 4.07Å; V14-W40 HydrophobicContact CG2-CE3 4.49Å; V14-W40 HydrophobicContact CG2-CZ3 4.06Å; V15-W40 HydrophobicContact CG2-CB 3.77Å; V32-W40 HydrophobicContact CB-CH2 4.49Å; V32-W40 HydrophobicContact CB-CZ3 4.42Å; V32-W40 HydrophobicContact CG1-CH2 3.96Å; V32-W40 HydrophobicContact CG1-CZ3 4.1Å; V32-W40 HydrophobicContact CG2-CZ3 4.24Å; M36-W40 HydrophobicContact CB-CH2 4.34Å; M36-W40 HydrophobicContact CB-CZ2 4.16Å; M36-W40 HydrophobicContact CE-CH2 3.51Å; M36-W40 HydrophobicContact CE-CZ2 3.31Å; M36-W40 WeakPolarHBondContact O-CB 3.22Å; M36-W40 VanDerWaalsContact O-CD2 3.3Å; M36-W40 PolarHBondContact O-N 2.99Å; V37-W40 PolarHBondContact O-N 3.45Å; I38-W40 PolarHBondContact O-N 3.02Å; W40-Q43 CarbonylContact O-C 3.54Å; W40-Q43 PolarHBondContact O-N 3.44Å; W40-E44 PolarHBondContact O-N 3.37Å; W40-L47 HydrophobicContact CB-CD1 4.1Å
41R94.8Very high93.2Very high88 Ų8872.6 Ų72.633%0.33236%0.355SS..Hα-helixtrans-62.1-45.8171.4-76.2-177.870165.23.9111.3V15 A18 N23 V37 I38 Q43 E44V15-R41 HydrophobicContact CB-CG 4.41Å; V15-R41 HydrophobicContact CG1-CG 4.1Å; V15-R41 HydrophobicContact CG2-CG 3.97Å; A18-R41 HydrophobicContact CB-CG 4.4Å; A18-R41 PolarHBondContact O-NH1 2.85Å; A18-R41 VanDerWaalsContact O-NH1 3.12Å; N23-R41 WeakPolarHBondContact OD1-CD 3.48Å; N23-R41 PolarHBondContact OD1-NH1 2.81Å; V37-R41 WeakPolarHBondContact O-CG 3.47Å; V37-R41 PolarHBondContact O-N 2.87Å; I38-R41 PolarHBondContact O-N 3.14Å; R41-Q43 PolarHBondContact O-N 2.95Å; R41-E44 VanDerWaalsContact O-CB 3.31Å; R41-E44 WeakPolarHBondContact O-CB 3.24Å; R41-E44 PolarHBondContact O-N 2.99Å
42K94.6Very high93Very high170 Ų17077.6 Ų77.674%0.73936%0.36SS*.Hα-helixtrans-60.1-29.1174.8-71.1-179.3177.5-174.60112.6I38 D39I38-K42 WeakPolarHBondContact O-CG 3.33Å; I38-K42 PolarHBondContact O-N 2.95Å; D39-K42 PolarHBondContact O-N 3.33Å
43Q92.3Very high92.9Very high90 Ų9086.3 Ų86.342%0.42140%0.397SS..THydrogen-bonded Turntrans-9810.3-179.1-65.6172.610.500113.5D39 W40 R41 E45 A46 L47D39-Q43 WeakPolarHBondContact O-CB 3.21Å; D39-Q43 VanDerWaalsContact O-CG 3.25Å; D39-Q43 WeakPolarHBondContact O-CG 3.49Å; D39-Q43 PolarHBondContact O-N 3.34Å; D39-Q43 VanDerWaalsContact O-N 3.09Å; W40-Q43 CarbonylContact O-C 3.54Å; W40-Q43 PolarHBondContact O-N 3.44Å; R41-Q43 PolarHBondContact O-N 2.95Å; Q43-E45 PolarHBondContact O-N 3.27Å; Q43-A46 CarbonylContact O-C 3.56Å; Q43-A46 WeakPolarHBondContact O-CA 3.48Å; Q43-A46 WeakPolarHBondContact O-CB 3.31Å; Q43-A46 PolarHBondContact O-N 2.8Å; Q43-L47 HydrophobicContact CB-CD1 4.37Å; Q43-L47 HydrophobicContact CB-CG 4.36Å; Q43-L47 WeakPolarHBondContact O-CG 3.48Å; Q43-L47 PolarHBondContact O-N 2.91Å
44E93.2Very high92.6Very high25 Ų2586 Ų8612%0.11739%0.39CS..Hα-helixtrans-55.3-49.2-170.7180-177.2167.300112.8L12 V15 K19 W40 R41 A46 L47 K48L12-E44 HydrophobicContact CD2-CG 4.32Å; V15-E44 HydrophobicContact CG1-CB 4.22Å; V15-E44 HydrophobicContact CG1-CG 3.89Å; K19-E44 WeakPolarHBondContact CE-OE2 3.4Å; K19-E44 IonicContact NZ-OE1 3.55Å; K19-E44 PolarHBondContact NZ-OE1 2.94Å; K19-E44 IonicContact NZ-OE2 2.76Å; K19-E44 PolarHBondContact NZ-OE2 3.16Å; W40-E44 PolarHBondContact O-N 3.37Å; R41-E44 VanDerWaalsContact O-CB 3.31Å; R41-E44 WeakPolarHBondContact O-CB 3.24Å; R41-E44 PolarHBondContact O-N 2.99Å; E44-A46 VanDerWaalsContact C-N 3.25Å; E44-A46 PolarHBondContact O-N 2.7Å; E44-L47 WeakPolarHBondContact O-CB 3.44Å; E44-L47 PolarHBondContact O-N 3.41Å; E44-K48 HydrophobicContact CG-CD 4.42Å; E44-K48 WeakPolarHBondContact O-CG 3.19Å; E44-K48 PolarHBondContact O-N 3.34Å; E44-K48 VanDerWaalsContact OE1-CE 3.24Å; E44-K48 WeakPolarHBondContact OE1-CE 3.34Å; E44-K48 IonicContact OE1-NZ 2.9Å; E44-K48 PolarHBondContact OE1-NZ 3.18Å
45E92.8Very high92.3Very high112 Ų11285.3 Ų85.352%0.52339%0.388SS..Hα-helixtrans-62.6-34.5179.4-66.6-50.812000112.3Q43 K48 K49Q43-E45 PolarHBondContact O-N 3.27Å; E45-K48 IonicContact OE1-NZ 2.64Å; E45-K48 PolarHBondContact OE1-NZ 3.47Å; E45-K49 WeakPolarHBondContact O-CG 3.26Å
46A90.5Very high91.5Very high21 Ų2180.4 Ų80.417%0.17437%0.374CS..Hα-helixtrans-71.5-34.2173.500000112.7Q43 E44 M50 R57Q43-A46 CarbonylContact O-C 3.56Å; Q43-A46 WeakPolarHBondContact O-CA 3.48Å; Q43-A46 WeakPolarHBondContact O-CB 3.31Å; Q43-A46 PolarHBondContact O-N 2.8Å; E44-A46 VanDerWaalsContact C-N 3.25Å; E44-A46 PolarHBondContact O-N 2.7Å; A46-M50 WeakPolarHBondContact O-CG 3.41Å; A46-R57 VanDerWaalsContact CB-NH1 3.33Å
47L91.5Very high90.4Very high3 Ų386.3 Ų86.32%0.01639%0.394CS..Hα-helixtrans-72.6-36.6178-70.9170000111.9A8 K11 L12 W40 Q43 E44 K49 M50A8-L47 HydrophobicContact CB-CD2 4.41Å; K11-L47 HydrophobicContact CB-CD1 3.78Å; K11-L47 HydrophobicContact CB-CD2 4.3Å; K11-L47 HydrophobicContact CD-CD1 4.3Å; K11-L47 HydrophobicContact CD-CD2 3.72Å; L12-L47 HydrophobicContact CD2-CB 3.74Å; L12-L47 HydrophobicContact CG-CB 4Å; W40-L47 HydrophobicContact CB-CD1 4.1Å; Q43-L47 HydrophobicContact CB-CD1 4.37Å; Q43-L47 HydrophobicContact CB-CG 4.36Å; Q43-L47 WeakPolarHBondContact O-CG 3.48Å; Q43-L47 PolarHBondContact O-N 2.91Å; E44-L47 WeakPolarHBondContact O-CB 3.44Å; E44-L47 PolarHBondContact O-N 3.41Å; L47-K49 PolarHBondContact O-N 3.49Å; L47-M50 HydrophobicContact CD2-SD 4Å; L47-M50 WeakPolarHBondContact O-CB 3.41Å; L47-M50 PolarHBondContact O-N 3.09Å
48K92.3Very high89Confident107 Ų10796.7 Ų96.747%0.46543%0.433SS..Hα-helixtrans-59.2-34174-74.1175.6-176.7159.80112.2L12 E44 E45 M50L12-K48 HydrophobicContact CD2-CG 3.85Å; E44-K48 HydrophobicContact CG-CD 4.42Å; E44-K48 WeakPolarHBondContact O-CG 3.19Å; E44-K48 PolarHBondContact O-N 3.34Å; E44-K48 VanDerWaalsContact OE1-CE 3.24Å; E44-K48 WeakPolarHBondContact OE1-CE 3.34Å; E44-K48 IonicContact OE1-NZ 2.9Å; E44-K48 PolarHBondContact OE1-NZ 3.18Å; E45-K48 IonicContact OE1-NZ 2.64Å; E45-K48 PolarHBondContact OE1-NZ 3.47Å; K48-M50 VanDerWaalsContact C-N 3.27Å; K48-M50 PolarHBondContact O-N 3.18Å
49K90.5Very high87.6Confident180 Ų18098.5 Ų98.578%0.78345%0.45SS*.THydrogen-bonded Turntrans-76.8-5.6176.7-64.7177-174.8-175.40114E45 L47E45-K49 WeakPolarHBondContact O-CG 3.26Å; L47-K49 PolarHBondContact O-N 3.49Å
50M87.8Confident86.4Confident21 Ų2198.6 Ų98.610%0.10346%0.464CS..SBendtrans-97.2143.5-179.3-67.8175.76700112A8 A46 L47 K48 K52 Q54 R57A8-M50 HydrophobicContact CB-CB 3.89Å; A8-M50 HydrophobicContact CB-CE 4.39Å; A46-M50 WeakPolarHBondContact O-CG 3.41Å; L47-M50 HydrophobicContact CD2-SD 4Å; L47-M50 WeakPolarHBondContact O-CB 3.41Å; L47-M50 PolarHBondContact O-N 3.09Å; K48-M50 VanDerWaalsContact C-N 3.27Å; K48-M50 PolarHBondContact O-N 3.18Å; M50-K52 PolarHBondContact O-N 2.76Å; M50-Q54 HydrophobicContact CE-CB 4.05Å; M50-Q54 HydrophobicContact CE-CG 3.69Å; M50-R57 HydrophobicContact CE-CG 3.64Å; M50-R57 HydrophobicContact CG-CG 4.37Å; M50-R57 HydrophobicContact SD-CG 3.31Å; M50-R57 WeakPolarHBondContact SD-CG 3.08Å
51P90Very high85.4Confident82 Ų82103.7 Ų103.753%0.53249%0.491SS..  trans-52.9132.1165.8-24.431.6000111.6K53 Q54P51-K53 PolarHBondContact O-N 3.43Å; P51-Q54 HydrophobicContact CB-CB 4.31Å; P51-Q54 VanDerWaalsContact CD-OE1 3.3Å; P51-Q54 VanDerWaalsContact O-CB 3.28Å; P51-Q54 WeakPolarHBondContact O-CB 3.36Å; P51-Q54 PolarHBondContact O-N 3.2Å
52K89.6Confident84.9Confident163 Ų163100.1 Ų100.171%0.70948%0.481SS*.THydrogen-bonded Turntrans-52.5-33.9-175.1-70.6-176178.4179.20113.8T7 A8 G9 M50T7-K52 WeakPolarHBondContact CB-O 3.15Å; A8-K52 PolarHBondContact N-O 3.28Å; G9-K52 PolarHBondContact N-O 3.25Å; M50-K52 PolarHBondContact O-N 2.76Å
53K91.4Very high84.4Confident195 Ų19596.6 Ų96.685%0.84848%0.478SS*.THydrogen-bonded Turntrans-78.7-15.3179.8-64.7-175.6179.3179.30113.9P51P51-K53 PolarHBondContact O-N 3.43Å
54Q87.2Confident84.2Confident72 Ų7295.6 Ų95.634%0.33647%0.47SS..  trans-73.6134.2-176.6-171.4169.7-1600111T7 A8 M50 P51 A56T7-Q54 CarbonylContact C-O 3.48Å; A8-Q54 PolarHBondContact N-O 2.58Å; M50-Q54 HydrophobicContact CE-CB 4.05Å; M50-Q54 HydrophobicContact CE-CG 3.69Å; P51-Q54 HydrophobicContact CB-CB 4.31Å; P51-Q54 VanDerWaalsContact CD-OE1 3.3Å; P51-Q54 VanDerWaalsContact O-CB 3.28Å; P51-Q54 WeakPolarHBondContact O-CB 3.36Å; P51-Q54 PolarHBondContact O-N 3.2Å; Q54-A56 WeakPolarHBondContact CG-O 3.38Å; Q54-A56 PolarHBondContact NE2-O 2.85Å
55R88Confident84Confident146 Ų14697.5 Ų97.555%0.55149%0.485SS*.  trans-97.4-29.9-175.5-67.2-178.9174-154.9-1.1114.2Y6 T7 K11Y6-R55 WeakPolarHBondContact O-CA 3.44Å; T7-R55 HydrophobicContact CG2-CG 3.95Å; K11-R55 PolarHBondContact NZ-O 3.23Å
56A78.7Confident83.9Confident44 Ų4497.6 Ų97.636%0.36449%0.485SS..  trans-142.2148.1-175.400000111.5Q54 R58Q54-A56 WeakPolarHBondContact CG-O 3.38Å; Q54-A56 PolarHBondContact NE2-O 2.85Å; A56-R58 HydrophobicContact CB-CG 4.11Å; A56-R58 PolarHBondContact O-N 3.25Å
57R70.8Confident83.9Confident171 Ų17197.2 Ų97.265%0.64548%0.48SS*.  trans-82.559.7172.3-62179.379.3-167.24110A46 M50 S59A46-R57 VanDerWaalsContact CB-NH1 3.33Å; M50-R57 HydrophobicContact CE-CG 3.64Å; M50-R57 HydrophobicContact CG-CG 4.37Å; M50-R57 HydrophobicContact SD-CG 3.31Å; M50-R57 WeakPolarHBondContact SD-CG 3.08Å; R57-S59 PolarHBondContact O-N 3.03Å
58R67.6Low84Confident217 Ų21797.2 Ų97.282%0.81948%0.48SS*.  trans-74.8110.8172.4-67.2-174.1-178.1-1791107A56 G60A56-R58 HydrophobicContact CB-CG 4.11Å; A56-R58 PolarHBondContact O-N 3.25Å; R58-G60 PolarHBondContact O-N 3.34Å; R58-G60 VanDerWaalsContact O-N 3.15Å
59S66Low83.9Confident90 Ų9095.7 Ų95.763%0.62948%0.477SS*.  trans-62.4-18.9-178.558.60000113R57 I61R57-S59 PolarHBondContact O-N 3.03Å; S59-I61 PolarHBondContact O-N 2.9Å; S59-I61 VanDerWaalsContact O-N 3.09Å; S59-I61 WeakPolarHBondContact OG-CB 3.46Å; S59-I61 PolarHBondContact OG-N 3.22Å
60G69.2Low83.9Confident56 Ų5687.6 Ų87.658%0.57745%0.445SS*.  trans70.9-4.5-172.500000113.1R58R58-G60 PolarHBondContact O-N 3.34Å; R58-G60 VanDerWaalsContact O-N 3.15Å
61I75.2Confident84.2Confident124 Ų12486.6 Ų86.664%0.63644%0.44SS*.  trans-64.5138178.7-60170.3000108.6S59S59-I61 PolarHBondContact O-N 2.9Å; S59-I61 VanDerWaalsContact O-N 3.09Å; S59-I61 WeakPolarHBondContact OG-CB 3.46Å; S59-I61 PolarHBondContact OG-N 3.22Å
62A83Confident84.3Confident14 Ų1483.8 Ų83.812%0.11642%0.423CS..  trans-66.5136.4173.600000109.6W64 P65 E68A62-W64 PolarHBondContact O-N 2.75Å; A62-P65 HydrophobicContact CB-CB 4.42Å; A62-E68 HydrophobicContact CB-CG 4.48Å; A62-E68 WeakPolarHBondContact CB-OE2 3.34Å
63S84.7Confident84.2Confident96 Ų9680.5 Ų80.567%0.67141%0.41SS*.SBendtrans-67.6-23.8173.1-62.70000112.4
64W89.2Confident84.2Confident69 Ų6972.5 Ų72.526%0.26138%0.375SS..SBendtrans-13371.7178.9-56.5-82.3000109.9A62 E66 L67 E68 F108A62-W64 PolarHBondContact O-N 2.75Å; W64-E66 VanDerWaalsContact C-N 3.34Å; W64-E66 PolarHBondContact O-N 2.88Å; W64-L67 HydrophobicContact CB-CB 3.98Å; W64-L67 PolarHBondContact O-N 3.46Å; W64-E68 WeakPolarHBondContact O-CG 3.3Å; W64-E68 PolarHBondContact O-N 3.14Å; W64-F108 AromaticContact CD2-CD2 3.77Å; W64-F108 HydrophobicContact CD2-CD2 3.77Å; W64-F108 AromaticContact CE3-CD2 3.64Å; W64-F108 HydrophobicContact CE3-CD2 3.64Å; W64-F108 HydrophobicContact CE3-CE2 4.04Å; W64-F108 HydrophobicContact CG-CD2 4.37Å; W64-F108 HydrophobicContact CH2-CD2 4.23Å; W64-F108 HydrophobicContact CZ2-CB 4.47Å; W64-F108 HydrophobicContact CZ2-CD2 4.33Å; W64-F108 AromaticContact CZ3-CD2 3.89Å; W64-F108 HydrophobicContact CZ3-CD2 3.89Å; W64-F108 HydrophobicContact CZ3-CE2 4.32Å
65P88.8Confident84.3Confident64 Ų6469.4 Ų69.442%0.41636%0.36SS..Hα-helixtrans-63-38.6-17324.9-32.6000112.6A62 E68 N69A62-P65 HydrophobicContact CB-CB 4.42Å; P65-E68 PolarHBondContact O-N 2.86Å; P65-N69 WeakPolarHBondContact O-CB 3.08Å; P65-N69 PolarHBondContact O-N 2.64Å; P65-N69 PolarHBondContact O-ND2 2.96Å; P65-N69 PolarHBondContact O-OD1 3.01Å
66E89.1Confident84.3Confident115 Ų11569 Ų6954%0.53736%0.359SS..Hα-helixtrans-66.5-45.5180-65.8-178.9-157.700112.2W64 E68 N69 G70 L104W64-E66 VanDerWaalsContact C-N 3.34Å; W64-E66 PolarHBondContact O-N 2.88Å; E66-E68 VanDerWaalsContact C-N 3.3Å; E66-E68 PolarHBondContact O-N 3.41Å; E66-N69 PolarHBondContact O-N 2.81Å; E66-G70 PolarHBondContact O-N 3.31Å; E66-L104 HydrophobicContact CB-CD1 4.45Å; E66-L104 WeakPolarHBondContact OE2-CD1 3.5Å; E66-L104 WeakPolarHBondContact OE2-CD2 3.31Å
67L91.4Very high84.5Confident12 Ų1271.5 Ų71.56%0.06336%0.363CS..Hα-helixtrans-58.4-43.5172.9-179.2149.1000111.2W64 L71 A94 A98 A105 F108 W114W64-L67 HydrophobicContact CB-CB 3.98Å; W64-L67 PolarHBondContact O-N 3.46Å; L67-L71 VanDerWaalsContact O-CB 3.29Å; L67-L71 WeakPolarHBondContact O-CB 3.49Å; L67-L71 PolarHBondContact O-N 3.13Å; L67-A94 HydrophobicContact CD2-CB 4.33Å; L67-A98 HydrophobicContact CD1-CB 3.85Å; L67-A105 HydrophobicContact CD1-CB 3.61Å; L67-F108 HydrophobicContact CD1-CD1 4Å; L67-F108 HydrophobicContact CD1-CE1 4.09Å; L67-F108 HydrophobicContact CD1-CG 4.22Å; L67-F108 HydrophobicContact CD1-CZ 4.44Å; L67-F108 HydrophobicContact CD2-CE1 4.38Å; L67-F108 HydrophobicContact CD2-CE2 4.32Å; L67-F108 HydrophobicContact CD2-CZ 4.04Å; L67-W114 HydrophobicContact CD2-CH2 4.07Å; L67-W114 HydrophobicContact CD2-CZ2 3.61Å
68E92.9Very high85.1Confident4 Ų464.8 Ų64.82%0.01934%0.339CS..Hα-helixtrans-68.6-33177.9-72.3-172-159.800113.1A62 W64 P65 E66 A72 W114 F118 R121 K122A62-E68 HydrophobicContact CB-CG 4.48Å; A62-E68 WeakPolarHBondContact CB-OE2 3.34Å; W64-E68 WeakPolarHBondContact O-CG 3.3Å; W64-E68 PolarHBondContact O-N 3.14Å; P65-E68 PolarHBondContact O-N 2.86Å; E66-E68 VanDerWaalsContact C-N 3.3Å; E66-E68 PolarHBondContact O-N 3.41Å; E68-A72 WeakPolarHBondContact O-CB 3.37Å; E68-A72 PolarHBondContact O-N 2.96Å; E68-A72 VanDerWaalsContact O-N 3.12Å; E68-W114 HydrophobicContact CG-CZ2 4.06Å; E68-W114 PolarHBondContact OE1-NE1 3.09Å; E68-F118 HydrophobicContact CB-CD2 3.86Å; E68-F118 HydrophobicContact CB-CE2 4.07Å; E68-F118 HydrophobicContact CG-CD2 3.64Å; E68-F118 HydrophobicContact CG-CE2 4.29Å; E68-F118 HydrophobicContact CG-CG 4.5Å; E68-F118 WeakPolarHBondContact O-CE2 3.48Å; E68-R121 VanDerWaalsContact CD-NH2 3.27Å; E68-R121 IonicContact OE1-CZ 3.16Å; E68-R121 IonicContact OE1-NE 3.35Å; E68-R121 IonicContact OE1-NH2 2.75Å; E68-R121 PolarHBondContact OE1-NH2 2.93Å; E68-R121 IonicContact OE2-CZ 2.76Å; E68-R121 IonicContact OE2-NE 3.81Å; E68-R121 PolarHBondContact OE2-NE 2.96Å; E68-R121 IonicContact OE2-NH2 3.47Å; E68-R121 PolarHBondContact OE2-NH2 2.9Å; E68-R121 VanDerWaalsContact OE2-NH2 3.16Å; E68-K122 WeakPolarHBondContact O-CE 3.41Å
69N91.4Very high85.7Confident75 Ų7555.8 Ų55.840%0.40131%0.305SS..Hα-helixtrans-65.9-54.2174.2-69.6-16.5000110.3P65 E66 L71 A72 E73 K122P65-N69 WeakPolarHBondContact O-CB 3.08Å; P65-N69 PolarHBondContact O-N 2.64Å; P65-N69 PolarHBondContact O-ND2 2.96Å; P65-N69 PolarHBondContact O-OD1 3.01Å; E66-N69 PolarHBondContact O-N 2.81Å; N69-L71 VanDerWaalsContact C-N 3.28Å; N69-L71 PolarHBondContact O-N 3.09Å; N69-A72 PolarHBondContact O-N 3.23Å; N69-E73 WeakPolarHBondContact O-CG 3.49Å; N69-E73 PolarHBondContact O-N 3.02Å; N69-K122 PolarHBondContact OD1-NZ 3.37Å
70G90.8Very high85.9Confident10 Ų1058.7 Ų58.710%0.10331%0.309CS..Hα-helixtrans-63.2-32.5-179.700000113.3E66 W74 R97E66-G70 PolarHBondContact O-N 3.31Å; G70-W74 WeakPolarHBondContact O-CB 3.13Å; G70-W74 PolarHBondContact O-N 3.22Å; G70-R97 VanDerWaalsContact O-CZ 3.31Å; G70-R97 PolarHBondContact O-NH2 2.77Å
71L93Very high85.9Confident0 Ų059 Ų590%030%0.302CS..Hα-helixtrans-69.9-37.2173.7-17564.4000112.7L67 N69 W74 D75 Q93 A94 W114 F118L67-L71 VanDerWaalsContact O-CB 3.29Å; L67-L71 WeakPolarHBondContact O-CB 3.49Å; L67-L71 PolarHBondContact O-N 3.13Å; N69-L71 VanDerWaalsContact C-N 3.28Å; N69-L71 PolarHBondContact O-N 3.09Å; L71-W74 HydrophobicContact CD1-CE3 3.89Å; L71-W74 HydrophobicContact CD1-CZ3 4.37Å; L71-W74 PolarHBondContact O-N 3.11Å; L71-D75 PolarHBondContact O-N 3.01Å; L71-Q93 HydrophobicContact CD1-CB 3.74Å; L71-Q93 HydrophobicContact CD1-CG 3.67Å; L71-A94 HydrophobicContact CD2-CB 3.92Å; L71-W114 HydrophobicContact CD2-CH2 3.58Å; L71-W114 HydrophobicContact CD2-CZ2 4.42Å; L71-W114 HydrophobicContact CD2-CZ3 4.41Å; L71-F118 HydrophobicContact CB-CE2 4.35Å; L71-F118 HydrophobicContact CB-CZ 4.13Å; L71-F118 HydrophobicContact CD2-CD1 4.17Å; L71-F118 HydrophobicContact CD2-CE1 3.66Å; L71-F118 HydrophobicContact CD2-CE2 4.15Å; L71-F118 HydrophobicContact CD2-CZ 3.65Å; L71-F118 HydrophobicContact CG-CE1 4.15Å; L71-F118 HydrophobicContact CG-CE2 4.43Å; L71-F118 HydrophobicContact CG-CZ 3.78Å
72A91.7Very high85.5Confident22 Ų2253.4 Ų53.418%0.18228%0.275CS..Hα-helixtrans-69.2-35.1176.400000111.9E68 N69 D75 R76 F118 K122E68-A72 WeakPolarHBondContact O-CB 3.37Å; E68-A72 PolarHBondContact O-N 2.96Å; E68-A72 VanDerWaalsContact O-N 3.12Å; N69-A72 PolarHBondContact O-N 3.23Å; A72-D75 PolarHBondContact O-N 3.04Å; A72-R76 PolarHBondContact O-N 2.88Å; A72-F118 HydrophobicContact CB-CE2 4.41Å; A72-F118 HydrophobicContact CB-CZ 4.43Å; A72-K122 HydrophobicContact CB-CD 3.95Å; A72-K122 HydrophobicContact CB-CG 4.07Å
73E88.9Confident85.2Confident95 Ų9557.7 Ų57.744%0.44429%0.288SS..Hα-helixtrans-64.9-45.7172.5-71.5171.1171.800111.4N69 D75 R76 E77N69-E73 WeakPolarHBondContact O-CG 3.49Å; N69-E73 PolarHBondContact O-N 3.02Å; E73-D75 PolarHBondContact O-N 2.9Å; E73-R76 WeakPolarHBondContact O-CB 3.11Å; E73-R76 PolarHBondContact O-N 3.27Å; E73-R76 VanDerWaalsContact O-N 3.15Å; E73-E77 WeakPolarHBondContact O-CG 3.43Å; E73-E77 PolarHBondContact O-N 3.37Å
74W91.5Very high85Confident27 Ų2753.7 Ų53.710%0.10226%0.259CS..Hα-helixtrans-58.3-45.917417582.1000112.5G70 L71 R76 E77 Q78 V85 D89 Q93G70-W74 WeakPolarHBondContact O-CB 3.13Å; G70-W74 PolarHBondContact O-N 3.22Å; L71-W74 HydrophobicContact CD1-CE3 3.89Å; L71-W74 HydrophobicContact CD1-CZ3 4.37Å; L71-W74 PolarHBondContact O-N 3.11Å; W74-R76 VanDerWaalsContact C-N 3.3Å; W74-R76 PolarHBondContact O-N 2.86Å; W74-E77 PolarHBondContact O-N 3.48Å; W74-Q78 HydrophobicContact CD2-CG 3.9Å; W74-Q78 HydrophobicContact CE3-CG 4.34Å; W74-Q78 HydrophobicContact CG-CG 4.43Å; W74-Q78 HydrophobicContact CH2-CG 4.18Å; W74-Q78 HydrophobicContact CZ2-CG 3.7Å; W74-Q78 HydrophobicContact CZ3-CG 4.47Å; W74-Q78 VanDerWaalsContact O-CG 3.31Å; W74-Q78 WeakPolarHBondContact O-CG 3.47Å; W74-Q78 PolarHBondContact O-N 2.77Å; W74-V85 HydrophobicContact CH2-CG1 4.03Å; W74-V85 HydrophobicContact CH2-CG2 4.48Å; W74-V85 HydrophobicContact CZ3-CG1 3.69Å; W74-V85 HydrophobicContact CZ3-CG2 4.45Å; W74-D89 HydrophobicContact CH2-CB 4.14Å; W74-Q93 HydrophobicContact CD2-CB 4.3Å; W74-Q93 HydrophobicContact CD2-CG 3.6Å; W74-Q93 HydrophobicContact CE3-CB 4.19Å; W74-Q93 HydrophobicContact CE3-CG 3.9Å; W74-Q93 HydrophobicContact CG-CG 3.98Å; W74-Q93 HydrophobicContact CH2-CB 3.99Å; W74-Q93 HydrophobicContact CH2-CG 4.32Å; W74-Q93 HydrophobicContact CZ2-CB 4.1Å; W74-Q93 HydrophobicContact CZ2-CG 4.06Å; W74-Q93 HydrophobicContact CZ3-CB 4.04Å; W74-Q93 HydrophobicContact CZ3-CG 4.25Å
75D88.9Confident84.9Confident6 Ų650.5 Ų50.53%0.03225%0.247CC..Hα-helixtrans-57.5-46.4175.6-177.564.4000110.3L71 A72 E73 E77 Q78 R79 V85 M90L71-D75 PolarHBondContact O-N 3.01Å; A72-D75 PolarHBondContact O-N 3.04Å; E73-D75 PolarHBondContact O-N 2.9Å; D75-E77 PolarHBondContact O-N 2.91Å; D75-Q78 PolarHBondContact O-N 2.84Å; D75-R79 WeakPolarHBondContact O-CB 3.32Å; D75-R79 VanDerWaalsContact O-CG 3.22Å; D75-R79 WeakPolarHBondContact O-CG 3.29Å; D75-R79 PolarHBondContact O-N 2.71Å; D75-V85 WeakPolarHBondContact OD1-CB 3.39Å; D75-V85 WeakPolarHBondContact OD1-CG1 3.34Å; D75-M90 HydrophobicContact CB-CE 3.85Å; D75-M90 WeakPolarHBondContact OD1-CE 3.29Å
76R86.6Confident84.9Confident139 Ų13949 Ų4953%0.52524%0.237SC..Hα-helixtrans-58.2-44.2176.5-176.9-177.863.8-167.5-3.7112.4A72 E73 W74 R79 Q80A72-R76 PolarHBondContact O-N 2.88Å; E73-R76 WeakPolarHBondContact O-CB 3.11Å; E73-R76 PolarHBondContact O-N 3.27Å; E73-R76 VanDerWaalsContact O-N 3.15Å; W74-R76 VanDerWaalsContact C-N 3.3Å; W74-R76 PolarHBondContact O-N 2.86Å; R76-R79 PolarHBondContact O-N 2.79Å; R76-Q80 WeakPolarHBondContact O-CG 3.33Å; R76-Q80 PolarHBondContact O-N 2.8Å
77E83.3Confident85Confident95 Ų9547.8 Ų47.844%0.44423%0.227SC..Hα-helixtrans-63.3-45.8176.5-71.3164.7-172.600111.9E73 W74 D75 R79 Q80 S81E73-E77 WeakPolarHBondContact O-CG 3.43Å; E73-E77 PolarHBondContact O-N 3.37Å; W74-E77 PolarHBondContact O-N 3.48Å; D75-E77 PolarHBondContact O-N 2.91Å; E77-R79 PolarHBondContact O-N 3.32Å; E77-Q80 PolarHBondContact O-N 3.06Å; E77-S81 PolarHBondContact O-N 2.9Å
78Q83.8Confident85Confident30 Ų3053.3 Ų53.314%0.1425%0.251CS..Hα-helixtrans-60.8-37.4175.3-64.7-45.9-76.100111W74 D75 S81 G82 R83 V85W74-Q78 HydrophobicContact CD2-CG 3.9Å; W74-Q78 HydrophobicContact CE3-CG 4.34Å; W74-Q78 HydrophobicContact CG-CG 4.43Å; W74-Q78 HydrophobicContact CH2-CG 4.18Å; W74-Q78 HydrophobicContact CZ2-CG 3.7Å; W74-Q78 HydrophobicContact CZ3-CG 4.47Å; W74-Q78 VanDerWaalsContact O-CG 3.31Å; W74-Q78 WeakPolarHBondContact O-CG 3.47Å; W74-Q78 PolarHBondContact O-N 2.77Å; D75-Q78 PolarHBondContact O-N 2.84Å; Q78-S81 PolarHBondContact O-N 3.5Å; Q78-S81 PolarHBondContact O-OG 3.27Å; Q78-G82 PolarHBondContact O-N 3.43Å; Q78-R83 HydrophobicContact CB-CB 4.26Å; Q78-R83 WeakPolarHBondContact O-CA 3.22Å; Q78-R83 WeakPolarHBondContact O-CB 3.33Å; Q78-R83 PolarHBondContact O-N 2.92Å; Q78-V85 HydrophobicContact CB-CG2 3.47Å; Q78-V85 VanDerWaalsContact CB-CG2 3.47Å; Q78-V85 HydrophobicContact CG-CG2 4.03Å
79R80.5Confident84.9Confident29 Ų2954.7 Ų54.711%0.10926%0.258CS..Hα-helixtrans-70.9-37.4176.4-66.5-54.4-64.6118.511.5112.6D75 R76 E77 S81 G82 R83 V183 D184 I192D75-R79 WeakPolarHBondContact O-CB 3.32Å; D75-R79 VanDerWaalsContact O-CG 3.22Å; D75-R79 WeakPolarHBondContact O-CG 3.29Å; D75-R79 PolarHBondContact O-N 2.71Å; R76-R79 PolarHBondContact O-N 2.79Å; E77-R79 PolarHBondContact O-N 3.32Å; R79-S81 VanDerWaalsContact C-N 3.34Å; R79-G82 WeakPolarHBondContact O-CA 3.37Å; R79-G82 PolarHBondContact O-N 3Å; R79-R83 PolarHBondContact NH1-O 3.36Å; R79-V183 WeakPolarHBondContact CD-O 3.29Å; R79-V183 PolarHBondContact NE-O 2.94Å; R79-D184 IonicContact CZ-OD2 3.13Å; R79-D184 IonicContact NE-OD2 3.14Å; R79-D184 PolarHBondContact NE-OD2 2.84Å; R79-D184 VanDerWaalsContact NE-OD2 3.1Å; R79-D184 IonicContact NH2-OD2 3.59Å; R79-D184 PolarHBondContact NH2-OD2 3.19Å; R79-I192 VanDerWaalsContact CZ-O 3.32Å; R79-I192 PolarHBondContact NH1-O 2.67Å; R79-I192 PolarHBondContact NH2-O 3.3Å
80Q70.7Confident85Confident150 Ų15051.1 Ų51.170%0.70124%0.239SC*.Hα-helixtrans-64.6-36.6173.4-76.4174.1-16.300112.2R76 E77 G82R76-Q80 WeakPolarHBondContact O-CG 3.33Å; R76-Q80 PolarHBondContact O-N 2.8Å; E77-Q80 PolarHBondContact O-N 3.06Å; Q80-G82 PolarHBondContact O-N 3.42Å
81S69.2Low85.2Confident64 Ų6455 Ų5545%0.44825%0.251SS..THydrogen-bonded Turntrans-74.4-5.4172.280.10000113.5E77 Q78 R79 R83 K194E77-S81 PolarHBondContact O-N 2.9Å; Q78-S81 PolarHBondContact O-N 3.5Å; Q78-S81 PolarHBondContact O-OG 3.27Å; R79-S81 VanDerWaalsContact C-N 3.34Å; S81-R83 VanDerWaalsContact C-N 3.31Å; S81-K194 WeakPolarHBondContact O-CD 3.4Å
82G66.9Low85.2Confident5 Ų558.4 Ų58.45%0.05227%0.269CS..THydrogen-bonded Turntrans76.910.4-177.100000114Q78 R79 Q80 A193 K194Q78-G82 PolarHBondContact O-N 3.43Å; R79-G82 WeakPolarHBondContact O-CA 3.37Å; R79-G82 PolarHBondContact O-N 3Å; Q80-G82 PolarHBondContact O-N 3.42Å; G82-A193 CarbonylContact O-C 3.56Å; G82-A193 VanDerWaalsContact O-CA 3.26Å; G82-A193 WeakPolarHBondContact O-CA 3.39Å; G82-K194 PolarHBondContact O-N 3.25Å
83R75.8Confident85.3Confident104 Ų10459.5 Ų59.539%0.39227%0.27SS..  trans-68.3147.6175-163.1-174-177.8173.50.6110.7Q78 R79 S81Q78-R83 HydrophobicContact CB-CB 4.26Å; Q78-R83 WeakPolarHBondContact O-CA 3.22Å; Q78-R83 WeakPolarHBondContact O-CB 3.33Å; Q78-R83 PolarHBondContact O-N 2.92Å; R79-R83 PolarHBondContact NH1-O 3.36Å; S81-R83 VanDerWaalsContact C-N 3.31Å
84I81.5Confident85.5Confident13 Ų1355 Ų557%0.06725%0.249CC..  trans-84.5128.6170.7-71.5-177.3000109.2T86 I178 G179 R181 A193I84-T86 HydrophobicContact CG2-CG2 4.44Å; I84-I178 HydrophobicContact CD1-CG2 3.35Å; I84-I178 HydrophobicContact CG1-CG2 4.41Å; I84-G179 WeakPolarHBondContact CD1-O 3.48Å; I84-R181 WeakPolarHBondContact CG2-O 3.2Å; I84-A193 HydrophobicContact CD1-CB 3.96Å; I84-A193 HydrophobicContact CG1-CB 3.88Å
85V85.6Confident85.6Confident2 Ų256.6 Ų56.61%0.01226%0.258CS..  trans-113.5126.6176.2-178.10000109.2W74 D75 Q78 D89 M90 T182 V183W74-V85 HydrophobicContact CH2-CG1 4.03Å; W74-V85 HydrophobicContact CH2-CG2 4.48Å; W74-V85 HydrophobicContact CZ3-CG1 3.69Å; W74-V85 HydrophobicContact CZ3-CG2 4.45Å; D75-V85 WeakPolarHBondContact OD1-CB 3.39Å; D75-V85 WeakPolarHBondContact OD1-CG1 3.34Å; Q78-V85 HydrophobicContact CB-CG2 3.47Å; Q78-V85 VanDerWaalsContact CB-CG2 3.47Å; Q78-V85 HydrophobicContact CG-CG2 4.03Å; V85-D89 HydrophobicContact CG1-CB 4.21Å; V85-M90 HydrophobicContact CG1-CE 4.06Å; V85-M90 HydrophobicContact CG1-CG 3.81Å; V85-T182 PolarHBondContact N-OG1 2.78Å; V85-T182 CarbonylContact O-C 3.58Å; V85-T182 VanDerWaalsContact O-CA 3.25Å; V85-T182 WeakPolarHBondContact O-CA 3.29Å; V85-V183 WeakPolarHBondContact O-CG2 3.31Å; V85-V183 PolarHBondContact O-N 2.82Å
86T89.2Confident85.7Confident32 Ų3260.5 Ų60.520%0.19628%0.279CS..  trans-102.1169.3175.477.60000111.3I84 K88 D89 M90I84-T86 HydrophobicContact CG2-CG2 4.44Å; T86-K88 PolarHBondContact O-N 2.93Å; T86-K88 PolarHBondContact OG1-N 2.86Å; T86-D89 WeakPolarHBondContact CB-OD2 3.31Å; T86-D89 WeakPolarHBondContact CG2-OD2 3.28Å; T86-D89 PolarHBondContact N-OD2 3.36Å; T86-D89 PolarHBondContact O-N 2.83Å; T86-D89 PolarHBondContact OG1-N 2.94Å; T86-D89 PolarHBondContact OG1-OD1 3.01Å; T86-D89 PolarHBondContact OG1-OD2 2.9Å; T86-M90 WeakPolarHBondContact O-CG 3.19Å; T86-M90 PolarHBondContact O-N 2.98Å
87R92.3Very high85.9Confident89 Ų8958 Ų5834%0.33627%0.27SS..Hα-helixtrans-61.1-28.7171.7-83.2-173.2149.4154.3-3113.2R91 S116 M119 L126R87-R91 WeakPolarHBondContact O-CD 3.29Å; R87-R91 VanDerWaalsContact O-CG 3.23Å; R87-R91 WeakPolarHBondContact O-CG 3.43Å; R87-R91 PolarHBondContact O-N 2.86Å; R87-S116 PolarHBondContact NH2-OG 3.49Å; R87-M119 HydrophobicContact CG-SD 3.81Å; R87-M119 PolarHBondContact NE-SD 2.9Å; R87-L126 HydrophobicContact CG-CD1 4.01Å; R87-L126 HydrophobicContact CG-CG 4.33Å
88K91.1Very high86.3Confident129 Ų12953.7 Ų53.756%0.56125%0.251SS*.Hα-helixtrans-69.1-51.9176.6-174.7-172.8169.8-166.60108.6T86 M90 R91 D92T86-K88 PolarHBondContact O-N 2.93Å; T86-K88 PolarHBondContact OG1-N 2.86Å; K88-M90 VanDerWaalsContact C-N 3.25Å; K88-M90 PolarHBondContact O-N 2.96Å; K88-R91 WeakPolarHBondContact O-CA 3.45Å; K88-R91 WeakPolarHBondContact O-CB 2.91Å; K88-R91 PolarHBondContact O-N 3.45Å; K88-D92 WeakPolarHBondContact CE-OD2 3.34Å; K88-D92 WeakPolarHBondContact CG-OD2 3.22Å; K88-D92 PolarHBondContact O-N 2.88Å
89D90.7Very high86.6Confident33 Ų3357.6 Ų57.618%0.17627%0.273CS..Hα-helixtrans-54.9-41.2178.6-44.1-17.1000111.9W74 V85 T86 R91 D92 Q93W74-D89 HydrophobicContact CH2-CB 4.14Å; V85-D89 HydrophobicContact CG1-CB 4.21Å; T86-D89 WeakPolarHBondContact CB-OD2 3.31Å; T86-D89 WeakPolarHBondContact CG2-OD2 3.28Å; T86-D89 PolarHBondContact N-OD2 3.36Å; T86-D89 PolarHBondContact O-N 2.83Å; T86-D89 PolarHBondContact OG1-N 2.94Å; T86-D89 PolarHBondContact OG1-OD1 3.01Å; T86-D89 PolarHBondContact OG1-OD2 2.9Å; D89-R91 VanDerWaalsContact C-N 3.34Å; D89-R91 PolarHBondContact O-N 3.39Å; D89-D92 PolarHBondContact O-N 3.09Å; D89-Q93 VanDerWaalsContact O-CB 3.27Å; D89-Q93 WeakPolarHBondContact O-CB 3.42Å; D89-Q93 PolarHBondContact O-N 3.21Å
90M93Very high87Confident0 Ų061.2 Ų61.20%030%0.303CS..Hα-helixtrans-61.6-39.1174.2-72.7-168.8157.600113.7D75 V85 T86 K88 A94 F118 M119 L124 V183D75-M90 HydrophobicContact CB-CE 3.85Å; D75-M90 WeakPolarHBondContact OD1-CE 3.29Å; V85-M90 HydrophobicContact CG1-CE 4.06Å; V85-M90 HydrophobicContact CG1-CG 3.81Å; T86-M90 WeakPolarHBondContact O-CG 3.19Å; T86-M90 PolarHBondContact O-N 2.98Å; K88-M90 VanDerWaalsContact C-N 3.25Å; K88-M90 PolarHBondContact O-N 2.96Å; M90-A94 VanDerWaalsContact O-CB 3.22Å; M90-A94 WeakPolarHBondContact O-CB 3.39Å; M90-A94 PolarHBondContact O-N 3.49Å; M90-F118 HydrophobicContact CE-CE1 4.27Å; M90-F118 HydrophobicContact SD-CD1 4.42Å; M90-F118 HydrophobicContact SD-CE1 3.78Å; M90-M119 HydrophobicContact SD-CG 4.1Å; M90-M119 HydrophobicContact SD-SD 4.42Å; M90-L124 HydrophobicContact CE-CD1 3.92Å; M90-V183 HydrophobicContact CE-CB 3.54Å; M90-V183 HydrophobicContact CE-CG1 3.24Å; M90-V183 HydrophobicContact CE-CG2 3.76Å; M90-V183 HydrophobicContact SD-CB 4.28Å; M90-V183 HydrophobicContact SD-CG1 4.06Å; M90-V183 HydrophobicContact SD-CG2 3.83Å
91R95.3Very high87.7Confident91 Ų9157.4 Ų57.434%0.34329%0.287SS..Hα-helixtrans-73.3-42.1179.8-69.5168.566.5-153.4-6.1110.5R87 K88 D89 A94 M95 A110 C115R87-R91 WeakPolarHBondContact O-CD 3.29Å; R87-R91 VanDerWaalsContact O-CG 3.23Å; R87-R91 WeakPolarHBondContact O-CG 3.43Å; R87-R91 PolarHBondContact O-N 2.86Å; K88-R91 WeakPolarHBondContact O-CA 3.45Å; K88-R91 WeakPolarHBondContact O-CB 2.91Å; K88-R91 PolarHBondContact O-N 3.45Å; D89-R91 VanDerWaalsContact C-N 3.34Å; D89-R91 PolarHBondContact O-N 3.39Å; R91-A94 WeakPolarHBondContact O-CB 3.38Å; R91-A94 PolarHBondContact O-N 2.62Å; R91-M95 WeakPolarHBondContact O-CG 3.48Å; R91-M95 PolarHBondContact O-N 2.6Å; R91-A110 HydrophobicContact CB-CB 3.84Å; R91-A110 HydrophobicContact CG-CB 4.21Å; R91-A110 VanDerWaalsContact CZ-O 3.3Å; R91-A110 PolarHBondContact NE-O 3.28Å; R91-A110 PolarHBondContact NH2-O 2.98Å; R91-A110 WeakPolarHBondContact O-CB 3.04Å; R91-C115 HydrophobicContact CG-CB 3.84Å
92D92.4Very high88.3Confident72 Ų7258 Ų5839%0.38529%0.289SS..Hα-helixtrans-64.7-45.3178.9-62.2-9.7000109.6K88 D89 A94 M95 N96K88-D92 WeakPolarHBondContact CE-OD2 3.34Å; K88-D92 WeakPolarHBondContact CG-OD2 3.22Å; K88-D92 PolarHBondContact O-N 2.88Å; D89-D92 PolarHBondContact O-N 3.09Å; D92-A94 VanDerWaalsContact C-N 3.34Å; D92-A94 PolarHBondContact O-N 3.47Å; D92-M95 PolarHBondContact O-N 3.5Å; D92-N96 VanDerWaalsContact O-CG 3.25Å; D92-N96 PolarHBondContact O-N 3.17Å; D92-N96 PolarHBondContact O-ND2 3.25Å
93Q93.2Very high89.1Confident44 Ų4467.8 Ų67.821%0.20633%0.326CS..Hα-helixtrans-63.9-37.4174.1-172.365.419.100112.5L71 W74 D89 N96 R97L71-Q93 HydrophobicContact CD1-CB 3.74Å; L71-Q93 HydrophobicContact CD1-CG 3.67Å; W74-Q93 HydrophobicContact CD2-CB 4.3Å; W74-Q93 HydrophobicContact CD2-CG 3.6Å; W74-Q93 HydrophobicContact CE3-CB 4.19Å; W74-Q93 HydrophobicContact CE3-CG 3.9Å; W74-Q93 HydrophobicContact CG-CG 3.98Å; W74-Q93 HydrophobicContact CH2-CB 3.99Å; W74-Q93 HydrophobicContact CH2-CG 4.32Å; W74-Q93 HydrophobicContact CZ2-CB 4.1Å; W74-Q93 HydrophobicContact CZ2-CG 4.06Å; W74-Q93 HydrophobicContact CZ3-CB 4.04Å; W74-Q93 HydrophobicContact CZ3-CG 4.25Å; D89-Q93 VanDerWaalsContact O-CB 3.27Å; D89-Q93 WeakPolarHBondContact O-CB 3.42Å; D89-Q93 PolarHBondContact O-N 3.21Å; Q93-N96 PolarHBondContact O-N 3.18Å; Q93-R97 WeakPolarHBondContact O-CB 3.41Å; Q93-R97 WeakPolarHBondContact O-CG 3Å; Q93-R97 PolarHBondContact O-N 2.97Å
94A94.1Very high89.2Confident0 Ų065.6 Ų65.60%032%0.322CS..Hα-helixtrans-63.4-42.1175.100000111.9L67 L71 M90 R91 D92 A98 F108 A110 W114L67-A94 HydrophobicContact CD2-CB 4.33Å; L71-A94 HydrophobicContact CD2-CB 3.92Å; M90-A94 VanDerWaalsContact O-CB 3.22Å; M90-A94 WeakPolarHBondContact O-CB 3.39Å; M90-A94 PolarHBondContact O-N 3.49Å; R91-A94 WeakPolarHBondContact O-CB 3.38Å; R91-A94 PolarHBondContact O-N 2.62Å; D92-A94 VanDerWaalsContact C-N 3.34Å; D92-A94 PolarHBondContact O-N 3.47Å; A94-A98 WeakPolarHBondContact O-CB 3.44Å; A94-A98 PolarHBondContact O-N 3.42Å; A94-F108 HydrophobicContact CB-CE1 3.8Å; A94-F108 HydrophobicContact CB-CZ 3.96Å; A94-A110 HydrophobicContact CB-CB 4.19Å; A94-W114 HydrophobicContact CB-CH2 3.41Å; A94-W114 VanDerWaalsContact CB-CH2 3.41Å; A94-W114 HydrophobicContact CB-CZ2 4.42Å; A94-W114 HydrophobicContact CB-CZ3 3.66Å
95M93.8Very high89.3Confident61 Ų6165.3 Ų65.330%0.332%0.321SS..Hα-helixtrans-64.4-45.7175-72.2-59-57.800111.2R91 D92 R97 A98 N99 F108 A110R91-M95 WeakPolarHBondContact O-CG 3.48Å; R91-M95 PolarHBondContact O-N 2.6Å; D92-M95 PolarHBondContact O-N 3.5Å; M95-R97 VanDerWaalsContact C-N 3.32Å; M95-R97 PolarHBondContact O-N 2.78Å; M95-A98 PolarHBondContact O-N 3.18Å; M95-N99 WeakPolarHBondContact O-CB 3.5Å; M95-N99 VanDerWaalsContact O-CG 3.23Å; M95-N99 PolarHBondContact O-N 3.41Å; M95-F108 HydrophobicContact SD-CD1 4.27Å; M95-F108 HydrophobicContact SD-CE1 4.25Å; M95-A110 HydrophobicContact CG-CB 3.66Å; M95-A110 HydrophobicContact SD-CB 3.78Å; M95-A110 PolarHBondContact SD-N 2.85Å; M95-A110 VanDerWaalsContact SD-N 3.43Å
96N91.2Very high89.2Confident88 Ų8874.7 Ų74.747%0.47136%0.358SS..Hα-helixtrans-59.1-43.5177.8-69.9-14.6000111.7D92 Q93 N99 S100D92-N96 VanDerWaalsContact O-CG 3.25Å; D92-N96 PolarHBondContact O-N 3.17Å; D92-N96 PolarHBondContact O-ND2 3.25Å; Q93-N96 PolarHBondContact O-N 3.18Å; N96-N99 PolarHBondContact O-N 3.45Å; N96-S100 WeakPolarHBondContact O-CB 3.49Å; N96-S100 PolarHBondContact O-N 2.88Å; N96-S100 PolarHBondContact O-OG 3.4Å
97R91.1Very high89.1Confident86 Ų8676.2 Ų76.233%0.32538%0.38SS..Hα-helixtrans-64.9-42.2175.8-75.1177.7174.1-86-2.1112.3G70 Q93 M95 S100 N101G70-R97 VanDerWaalsContact O-CZ 3.31Å; G70-R97 PolarHBondContact O-NH2 2.77Å; Q93-R97 WeakPolarHBondContact O-CB 3.41Å; Q93-R97 WeakPolarHBondContact O-CG 3Å; Q93-R97 PolarHBondContact O-N 2.97Å; M95-R97 VanDerWaalsContact C-N 3.32Å; M95-R97 PolarHBondContact O-N 2.78Å; R97-S100 PolarHBondContact O-N 3.12Å; R97-N101 PolarHBondContact O-N 2.9Å; R97-N101 VanDerWaalsContact O-N 3.08Å
98A91.4Very high89Confident6 Ų672.6 Ų72.65%0.0537%0.367CS..Hα-helixtrans-64.8-40.6177.700000112.5L67 A94 M95 N101 A105 F108L67-A98 HydrophobicContact CD1-CB 3.85Å; A94-A98 WeakPolarHBondContact O-CB 3.44Å; A94-A98 PolarHBondContact O-N 3.42Å; M95-A98 PolarHBondContact O-N 3.18Å; A98-N101 CarbonylContact O-C 3.58Å; A98-N101 PolarHBondContact O-N 3.11Å; A98-A105 HydrophobicContact CB-CB 3.54Å; A98-F108 HydrophobicContact CB-CB 4.19Å; A98-F108 HydrophobicContact CB-CD1 3.53Å; A98-F108 HydrophobicContact CB-CE1 4.35Å; A98-F108 HydrophobicContact CB-CG 4.23Å
99N89.5Confident89.1Confident112 Ų11270.6 Ų70.660%0.59937%0.366SS*.Hα-helixtrans-68.8-34.9177.5-68.5-11.5000112M95 N96 N101M95-N99 WeakPolarHBondContact O-CB 3.5Å; M95-N99 VanDerWaalsContact O-CG 3.23Å; M95-N99 PolarHBondContact O-N 3.41Å; N96-N99 PolarHBondContact O-N 3.45Å; N99-N101 VanDerWaalsContact C-N 3.33Å
100S88.2Confident89.1Confident105 Ų10569.2 Ų69.273%0.73436%0.358SS*.Hα-helixtrans-76-21.8178.4-54.10000112.9N96 R97N96-S100 WeakPolarHBondContact O-CB 3.49Å; N96-S100 PolarHBondContact O-N 2.88Å; N96-S100 PolarHBondContact O-OG 3.4Å; R97-S100 PolarHBondContact O-N 3.12Å
101N85.4Confident89.1Confident69 Ų6972.2 Ų72.237%0.36938%0.377SS..  trans-137.875.6176.2-164.9-24.5000111.3R97 A98 N99 Y103 L104R97-N101 PolarHBondContact O-N 2.9Å; R97-N101 VanDerWaalsContact O-N 3.08Å; A98-N101 CarbonylContact O-C 3.58Å; A98-N101 PolarHBondContact O-N 3.11Å; N99-N101 VanDerWaalsContact C-N 3.33Å; N101-Y103 PolarHBondContact O-N 3.22Å; N101-L104 HydrophobicContact CB-CD1 4.46Å; N101-L104 WeakPolarHBondContact ND2-CD1 3.28Å; N101-L104 PolarHBondContact O-N 2.96Å; N101-L104 VanDerWaalsContact O-N 3.15Å; N101-L104 PolarHBondContact OD1-N 2.86Å
102P83.1Confident89Confident77 Ų7774.3 Ų74.350%0.539%0.391SS..THydrogen-bonded Turntrans-59.7-28.6-177.4-25.635.6000113.6L104 A105 Y106P102-L104 VanDerWaalsContact C-N 3.3Å; P102-L104 PolarHBondContact O-N 3.15Å; P102-A105 CarbonylContact O-C 3.57Å; P102-A105 PolarHBondContact O-N 2.89Å; P102-Y106 WeakPolarHBondContact O-CA 3.39Å; P102-Y106 WeakPolarHBondContact O-CB 3.02Å; P102-Y106 PolarHBondContact O-N 2.98Å
103Y82.9Confident89Confident210 Ų21073.3 Ų73.382%0.82439%0.392SS*.THydrogen-bonded Turntrans-61.1-38.8178.1178.1-100000112.1N101N101-Y103 PolarHBondContact O-N 3.22Å
104L78.2Confident89Confident59 Ų5971.9 Ų71.931%0.30939%0.385SS..THydrogen-bonded Turntrans-82.3-16.8-179-65.3-175.3000114.3E66 N101 P102E66-L104 HydrophobicContact CB-CD1 4.45Å; E66-L104 WeakPolarHBondContact OE2-CD1 3.5Å; E66-L104 WeakPolarHBondContact OE2-CD2 3.31Å; N101-L104 HydrophobicContact CB-CD1 4.46Å; N101-L104 WeakPolarHBondContact ND2-CD1 3.28Å; N101-L104 PolarHBondContact O-N 2.96Å; N101-L104 VanDerWaalsContact O-N 3.15Å; N101-L104 PolarHBondContact OD1-N 2.86Å; P102-L104 VanDerWaalsContact C-N 3.3Å; P102-L104 PolarHBondContact O-N 3.15Å
105A83.4Confident89Confident6 Ų671.9 Ų71.95%0.0539%0.385CS..SBendtrans-143.132.1-16800000113.1L67 A98 P102 G107 F108L67-A105 HydrophobicContact CD1-CB 3.61Å; A98-A105 HydrophobicContact CB-CB 3.54Å; P102-A105 CarbonylContact O-C 3.57Å; P102-A105 PolarHBondContact O-N 2.89Å; A105-G107 PolarHBondContact O-N 3.14Å; A105-F108 HydrophobicContact CB-CB 3.87Å; A105-F108 HydrophobicContact CB-CG 4.48Å; A105-F108 WeakPolarHBondContact O-CB 3.13Å; A105-F108 PolarHBondContact O-N 2.73Å
106Y84.2Confident88.9Confident199 Ų19971.1 Ų71.178%0.7839%0.386SS*.THydrogen-bonded Turntrans-55.8128.1179.8-174.7-98.9000111.3P102 F108P102-Y106 WeakPolarHBondContact O-CA 3.39Å; P102-Y106 WeakPolarHBondContact O-CB 3.02Å; P102-Y106 PolarHBondContact O-N 2.98Å; Y106-F108 PolarHBondContact O-N 3.01Å
107G86.7Confident88.9Confident64 Ų6474.2 Ų74.266%0.6639%0.391SS*.THydrogen-bonded Turntrans68.313-177.100000114.8A105A105-G107 PolarHBondContact O-N 3.14Å
108F91.1Very high89Confident13 Ų1370.1 Ų70.16%0.05738%0.376CS..  trans-66143176.9175.4-105.8000111.4W64 L67 A94 M95 A98 A105 Y106 A110 W114W64-F108 AromaticContact CD2-CD2 3.77Å; W64-F108 HydrophobicContact CD2-CD2 3.77Å; W64-F108 AromaticContact CE3-CD2 3.64Å; W64-F108 HydrophobicContact CE3-CD2 3.64Å; W64-F108 HydrophobicContact CE3-CE2 4.04Å; W64-F108 HydrophobicContact CG-CD2 4.37Å; W64-F108 HydrophobicContact CH2-CD2 4.23Å; W64-F108 HydrophobicContact CZ2-CB 4.47Å; W64-F108 HydrophobicContact CZ2-CD2 4.33Å; W64-F108 AromaticContact CZ3-CD2 3.89Å; W64-F108 HydrophobicContact CZ3-CD2 3.89Å; W64-F108 HydrophobicContact CZ3-CE2 4.32Å; L67-F108 HydrophobicContact CD1-CD1 4Å; L67-F108 HydrophobicContact CD1-CE1 4.09Å; L67-F108 HydrophobicContact CD1-CG 4.22Å; L67-F108 HydrophobicContact CD1-CZ 4.44Å; L67-F108 HydrophobicContact CD2-CE1 4.38Å; L67-F108 HydrophobicContact CD2-CE2 4.32Å; L67-F108 HydrophobicContact CD2-CZ 4.04Å; A94-F108 HydrophobicContact CB-CE1 3.8Å; A94-F108 HydrophobicContact CB-CZ 3.96Å; M95-F108 HydrophobicContact SD-CD1 4.27Å; M95-F108 HydrophobicContact SD-CE1 4.25Å; A98-F108 HydrophobicContact CB-CB 4.19Å; A98-F108 HydrophobicContact CB-CD1 3.53Å; A98-F108 HydrophobicContact CB-CE1 4.35Å; A98-F108 HydrophobicContact CB-CG 4.23Å; A105-F108 HydrophobicContact CB-CB 3.87Å; A105-F108 HydrophobicContact CB-CG 4.48Å; A105-F108 WeakPolarHBondContact O-CB 3.13Å; A105-F108 PolarHBondContact O-N 2.73Å; Y106-F108 PolarHBondContact O-N 3.01Å; F108-A110 HydrophobicContact CE1-CB 3.85Å; F108-A110 HydrophobicContact CZ-CB 3.98Å; F108-W114 AromaticContact CE2-CD1 3.92Å; F108-W114 AromaticContact CE2-CD2 3.72Å; F108-W114 HydrophobicContact CE2-CD2 3.72Å; F108-W114 AromaticContact CE2-CE2 3.46Å; F108-W114 VanDerWaalsContact CE2-CE2 3.46Å; F108-W114 HydrophobicContact CE2-CE3 4.3Å; F108-W114 HydrophobicContact CE2-CG 4.03Å; F108-W114 HydrophobicContact CE2-CH2 4.41Å; F108-W114 AromaticContact CE2-CZ2 3.85Å; F108-W114 HydrophobicContact CE2-CZ2 3.85Å; F108-W114 AromaticContact CE2-NE1 3.61Å; F108-W114 AromaticContact CZ-CD2 3.71Å; F108-W114 HydrophobicContact CZ-CD2 3.71Å; F108-W114 AromaticContact CZ-CE2 3.59Å; F108-W114 AromaticContact CZ-CE3 3.82Å; F108-W114 HydrophobicContact CZ-CE3 3.82Å; F108-W114 HydrophobicContact CZ-CG 4.45Å; F108-W114 AromaticContact CZ-CH2 3.72Å; F108-W114 HydrophobicContact CZ-CH2 3.72Å; F108-W114 AromaticContact CZ-CZ2 3.6Å; F108-W114 HydrophobicContact CZ-CZ2 3.6Å; F108-W114 AromaticContact CZ-CZ3 3.84Å; F108-W114 HydrophobicContact CZ-CZ3 3.84Å
109T91.5Very high89.1Confident88 Ų8870 Ų7054%0.5437%0.374SS..  trans-139.2125.5169.7-53.30000108.9T111T109-T111 HydrophobicContact CG2-CG2 3.94Å; T109-T111 PolarHBondContact O-N 3.35Å
110A91.7Very high89.2Confident3 Ų373.3 Ų73.33%0.02538%0.383CS..  trans-7566.8178.400000111.6R91 A94 M95 F108 W114R91-A110 HydrophobicContact CB-CB 3.84Å; R91-A110 HydrophobicContact CG-CB 4.21Å; R91-A110 VanDerWaalsContact CZ-O 3.3Å; R91-A110 PolarHBondContact NE-O 3.28Å; R91-A110 PolarHBondContact NH2-O 2.98Å; R91-A110 WeakPolarHBondContact O-CB 3.04Å; A94-A110 HydrophobicContact CB-CB 4.19Å; M95-A110 HydrophobicContact CG-CB 3.66Å; M95-A110 HydrophobicContact SD-CB 3.78Å; M95-A110 PolarHBondContact SD-N 2.85Å; M95-A110 VanDerWaalsContact SD-N 3.43Å; F108-A110 HydrophobicContact CE1-CB 3.85Å; F108-A110 HydrophobicContact CZ-CB 3.98Å; A110-W114 HydrophobicContact CB-CE3 4.19Å; A110-W114 HydrophobicContact CB-CZ3 4.16Å
111T93.5Very high89.4Confident64 Ų6472.4 Ų72.439%0.39336%0.363SS..  trans-69.2156176.4640000111.4T109 A113 W114 C115T109-T111 HydrophobicContact CG2-CG2 3.94Å; T109-T111 PolarHBondContact O-N 3.35Å; T111-A113 PolarHBondContact O-N 2.69Å; T111-W114 PolarHBondContact O-N 3.25Å; T111-W114 VanDerWaalsContact O-N 3.15Å; T111-W114 WeakPolarHBondContact OG1-CB 3.48Å; T111-W114 PolarHBondContact OG1-N 3.29Å; T111-W114 VanDerWaalsContact OG1-N 3.09Å; T111-C115 PolarHBondContact O-N 3.19Å
112Q92.4Very high89.7Confident135 Ų13572.2 Ų72.263%0.63136%0.359SS*.Hα-helixtrans-60.2-34.9175.7-168.3179.118.600112.3S116Q112-S116 PolarHBondContact O-N 2.97Å; Q112-S116 PolarHBondContact O-OG 3.03Å
113A91.6Very high90.1Very high51 Ų5176 Ų7642%0.42137%0.368SS..Hα-helixtrans-67.9-41.3175.500000112T111 S116 R117T111-A113 PolarHBondContact O-N 2.69Å; A113-S116 PolarHBondContact O-N 3.3Å; A113-R117 WeakPolarHBondContact O-CG 3.49Å; A113-R117 PolarHBondContact O-N 3Å; A113-R117 VanDerWaalsContact O-N 3.12Å
114W93.6Very high90.5Very high13 Ų1366.7 Ų66.75%0.04933%0.332CS..Hα-helixtrans-60.6-50.7172.5169.284.7000110.9L67 E68 L71 A94 F108 A110 T111 S116 R117 F118L67-W114 HydrophobicContact CD2-CH2 4.07Å; L67-W114 HydrophobicContact CD2-CZ2 3.61Å; E68-W114 HydrophobicContact CG-CZ2 4.06Å; E68-W114 PolarHBondContact OE1-NE1 3.09Å; L71-W114 HydrophobicContact CD2-CH2 3.58Å; L71-W114 HydrophobicContact CD2-CZ2 4.42Å; L71-W114 HydrophobicContact CD2-CZ3 4.41Å; A94-W114 HydrophobicContact CB-CH2 3.41Å; A94-W114 VanDerWaalsContact CB-CH2 3.41Å; A94-W114 HydrophobicContact CB-CZ2 4.42Å; A94-W114 HydrophobicContact CB-CZ3 3.66Å; F108-W114 AromaticContact CE2-CD1 3.92Å; F108-W114 AromaticContact CE2-CD2 3.72Å; F108-W114 HydrophobicContact CE2-CD2 3.72Å; F108-W114 AromaticContact CE2-CE2 3.46Å; F108-W114 VanDerWaalsContact CE2-CE2 3.46Å; F108-W114 HydrophobicContact CE2-CE3 4.3Å; F108-W114 HydrophobicContact CE2-CG 4.03Å; F108-W114 HydrophobicContact CE2-CH2 4.41Å; F108-W114 AromaticContact CE2-CZ2 3.85Å; F108-W114 HydrophobicContact CE2-CZ2 3.85Å; F108-W114 AromaticContact CE2-NE1 3.61Å; F108-W114 AromaticContact CZ-CD2 3.71Å; F108-W114 HydrophobicContact CZ-CD2 3.71Å; F108-W114 AromaticContact CZ-CE2 3.59Å; F108-W114 AromaticContact CZ-CE3 3.82Å; F108-W114 HydrophobicContact CZ-CE3 3.82Å; F108-W114 HydrophobicContact CZ-CG 4.45Å; F108-W114 AromaticContact CZ-CH2 3.72Å; F108-W114 HydrophobicContact CZ-CH2 3.72Å; F108-W114 AromaticContact CZ-CZ2 3.6Å; F108-W114 HydrophobicContact CZ-CZ2 3.6Å; F108-W114 AromaticContact CZ-CZ3 3.84Å; F108-W114 HydrophobicContact CZ-CZ3 3.84Å; A110-W114 HydrophobicContact CB-CE3 4.19Å; A110-W114 HydrophobicContact CB-CZ3 4.16Å; T111-W114 PolarHBondContact O-N 3.25Å; T111-W114 VanDerWaalsContact O-N 3.15Å; T111-W114 WeakPolarHBondContact OG1-CB 3.48Å; T111-W114 PolarHBondContact OG1-N 3.29Å; T111-W114 VanDerWaalsContact OG1-N 3.09Å; W114-S116 VanDerWaalsContact C-N 3.26Å; W114-S116 PolarHBondContact O-N 3.49Å; W114-R117 WeakPolarHBondContact O-CA 3.5Å; W114-R117 WeakPolarHBondContact O-CB 3.21Å; W114-R117 PolarHBondContact O-N 2.85Å; W114-F118 HydrophobicContact CH2-CB 4.43Å; W114-F118 HydrophobicContact CH2-CD1 4.48Å; W114-F118 HydrophobicContact CH2-CG 4.34Å; W114-F118 HydrophobicContact CZ2-CB 4.09Å; W114-F118 HydrophobicContact CZ2-CG 4.24Å; W114-F118 WeakPolarHBondContact O-CB 3.43Å; W114-F118 PolarHBondContact O-N 2.86Å
115C93.8Very high91Very high1 Ų166 Ų661%0.00733%0.331CS..Hα-helixtrans-56.1-41.8179.8178.80000111.4R91 T111 R117 F118 M119R91-C115 HydrophobicContact CG-CB 3.84Å; T111-C115 PolarHBondContact O-N 3.19Å; C115-R117 PolarHBondContact O-N 3.28Å; C115-F118 PolarHBondContact O-N 3.35Å; C115-M119 WeakPolarHBondContact O-CB 3.46Å; C115-M119 VanDerWaalsContact O-CG 3.27Å; C115-M119 WeakPolarHBondContact O-CG 3.22Å; C115-M119 PolarHBondContact O-N 3.26Å
116S92.6Very high91.1Very high45 Ų4569 Ų6932%0.31535%0.345SS..Hα-helixtrans-63.3-39.1175.9-60.80000113.2R87 Q112 A113 W114 K120R87-S116 PolarHBondContact NH2-OG 3.49Å; Q112-S116 PolarHBondContact O-N 2.97Å; Q112-S116 PolarHBondContact O-OG 3.03Å; A113-S116 PolarHBondContact O-N 3.3Å; W114-S116 VanDerWaalsContact C-N 3.26Å; W114-S116 PolarHBondContact O-N 3.49Å; S116-K120 WeakPolarHBondContact O-CB 3.3Å; S116-K120 PolarHBondContact O-N 2.94Å; S116-K120 VanDerWaalsContact O-N 3.13Å
117R91.5Very high90.9Very high153 Ų15363.2 Ų63.258%0.57732%0.322SS*.Hα-helixtrans-72-41.6177.2-67.9171.4-169.4150.84.8111.8A113 W114 C115 K120 R121A113-R117 WeakPolarHBondContact O-CG 3.49Å; A113-R117 PolarHBondContact O-N 3Å; A113-R117 VanDerWaalsContact O-N 3.12Å; W114-R117 WeakPolarHBondContact O-CA 3.5Å; W114-R117 WeakPolarHBondContact O-CB 3.21Å; W114-R117 PolarHBondContact O-N 2.85Å; C115-R117 PolarHBondContact O-N 3.28Å; R117-K120 PolarHBondContact O-N 3.21Å; R117-R121 WeakPolarHBondContact O-CG 3.16Å; R117-R121 PolarHBondContact O-N 2.86Å
118F93.3Very high90.2Very high0 Ų065.2 Ų65.20%031%0.314CS..Hα-helixtrans-55.7-55.4173.8157.8-108.6000110.5E68 L71 A72 M90 W114 C115 K120 R121 K122 L124E68-F118 HydrophobicContact CB-CD2 3.86Å; E68-F118 HydrophobicContact CB-CE2 4.07Å; E68-F118 HydrophobicContact CG-CD2 3.64Å; E68-F118 HydrophobicContact CG-CE2 4.29Å; E68-F118 HydrophobicContact CG-CG 4.5Å; E68-F118 WeakPolarHBondContact O-CE2 3.48Å; L71-F118 HydrophobicContact CB-CE2 4.35Å; L71-F118 HydrophobicContact CB-CZ 4.13Å; L71-F118 HydrophobicContact CD2-CD1 4.17Å; L71-F118 HydrophobicContact CD2-CE1 3.66Å; L71-F118 HydrophobicContact CD2-CE2 4.15Å; L71-F118 HydrophobicContact CD2-CZ 3.65Å; L71-F118 HydrophobicContact CG-CE1 4.15Å; L71-F118 HydrophobicContact CG-CE2 4.43Å; L71-F118 HydrophobicContact CG-CZ 3.78Å; A72-F118 HydrophobicContact CB-CE2 4.41Å; A72-F118 HydrophobicContact CB-CZ 4.43Å; M90-F118 HydrophobicContact CE-CE1 4.27Å; M90-F118 HydrophobicContact SD-CD1 4.42Å; M90-F118 HydrophobicContact SD-CE1 3.78Å; W114-F118 HydrophobicContact CH2-CB 4.43Å; W114-F118 HydrophobicContact CH2-CD1 4.48Å; W114-F118 HydrophobicContact CH2-CG 4.34Å; W114-F118 HydrophobicContact CZ2-CB 4.09Å; W114-F118 HydrophobicContact CZ2-CG 4.24Å; W114-F118 WeakPolarHBondContact O-CB 3.43Å; W114-F118 PolarHBondContact O-N 2.86Å; C115-F118 PolarHBondContact O-N 3.35Å; F118-K120 VanDerWaalsContact C-N 3.28Å; F118-K120 PolarHBondContact O-N 2.98Å; F118-R121 PolarHBondContact O-N 2.8Å; F118-K122 HydrophobicContact CD2-CG 3.85Å; F118-K122 HydrophobicContact CE2-CB 4.36Å; F118-K122 HydrophobicContact CE2-CG 3.5Å; F118-K122 VanDerWaalsContact CE2-CG 3.5Å; F118-K122 HydrophobicContact CZ-CG 4.22Å; F118-K122 PolarHBondContact O-N 3.03Å; F118-L124 HydrophobicContact CE1-CD1 4.09Å; F118-L124 HydrophobicContact CZ-CD1 4.02Å
119M93.7Very high88.9Confident3 Ų367.8 Ų67.82%0.01533%0.326CS..Hα-helixtrans-56.9-42.6178-71.4179.177.100111.6R87 M90 C115 R121 K122 K123 L124 L126 V183R87-M119 HydrophobicContact CG-SD 3.81Å; R87-M119 PolarHBondContact NE-SD 2.9Å; M90-M119 HydrophobicContact SD-CG 4.1Å; M90-M119 HydrophobicContact SD-SD 4.42Å; C115-M119 WeakPolarHBondContact O-CB 3.46Å; C115-M119 VanDerWaalsContact O-CG 3.27Å; C115-M119 WeakPolarHBondContact O-CG 3.22Å; C115-M119 PolarHBondContact O-N 3.26Å; M119-R121 PolarHBondContact O-N 3.25Å; M119-K122 CarbonylContact O-C 3.39Å; M119-K122 PolarHBondContact O-N 3.4Å; M119-K123 PolarHBondContact O-N 3.37Å; M119-L124 HydrophobicContact CB-CB 4.14Å; M119-L124 HydrophobicContact CE-CB 4.34Å; M119-L124 HydrophobicContact CG-CB 4.26Å; M119-L124 PolarHBondContact O-N 2.88Å; M119-L126 HydrophobicContact CE-CG 4.42Å; M119-V183 HydrophobicContact CE-CG1 3.85Å; M119-V183 HydrophobicContact CE-CG2 3.88Å
120K91.6Very high86.9Confident181 Ų18170.8 Ų70.879%0.78734%0.344SS*.Hα-helixtrans-61.1-44.5176.4-174.6178.4179.5178.80112.2S116 R117 F118 K123S116-K120 WeakPolarHBondContact O-CB 3.3Å; S116-K120 PolarHBondContact O-N 2.94Å; S116-K120 VanDerWaalsContact O-N 3.13Å; R117-K120 PolarHBondContact O-N 3.21Å; F118-K120 VanDerWaalsContact C-N 3.28Å; F118-K120 PolarHBondContact O-N 2.98Å; K120-K123 PolarHBondContact O-N 2.91Å
121R91.1Very high84.8Confident86 Ų8678.7 Ų78.733%0.32538%0.377SS..Hα-helixtrans-64.1-43.2178.1-78.4-173.3-69.9-92-5.7111.9E68 R117 F118 M119 K123E68-R121 VanDerWaalsContact CD-NH2 3.27Å; E68-R121 IonicContact OE1-CZ 3.16Å; E68-R121 IonicContact OE1-NE 3.35Å; E68-R121 IonicContact OE1-NH2 2.75Å; E68-R121 PolarHBondContact OE1-NH2 2.93Å; E68-R121 IonicContact OE2-CZ 2.76Å; E68-R121 IonicContact OE2-NE 3.81Å; E68-R121 PolarHBondContact OE2-NE 2.96Å; E68-R121 IonicContact OE2-NH2 3.47Å; E68-R121 PolarHBondContact OE2-NH2 2.9Å; E68-R121 VanDerWaalsContact OE2-NH2 3.16Å; R117-R121 WeakPolarHBondContact O-CG 3.16Å; R117-R121 PolarHBondContact O-N 2.86Å; F118-R121 PolarHBondContact O-N 2.8Å; M119-R121 PolarHBondContact O-N 3.25Å; R121-K123 VanDerWaalsContact C-N 3.25Å; R121-K123 PolarHBondContact O-N 3.5Å
122K91.8Very high82Confident65 Ų6582.5 Ų82.528%0.28340%0.401SS..THydrogen-bonded Turntrans-83.55.9179.5-63.5-61-171.9174.10114.3E68 N69 A72 F118 M119 L124E68-K122 WeakPolarHBondContact O-CE 3.41Å; N69-K122 PolarHBondContact OD1-NZ 3.37Å; A72-K122 HydrophobicContact CB-CD 3.95Å; A72-K122 HydrophobicContact CB-CG 4.07Å; F118-K122 HydrophobicContact CD2-CG 3.85Å; F118-K122 HydrophobicContact CE2-CB 4.36Å; F118-K122 HydrophobicContact CE2-CG 3.5Å; F118-K122 VanDerWaalsContact CE2-CG 3.5Å; F118-K122 HydrophobicContact CZ-CG 4.22Å; F118-K122 PolarHBondContact O-N 3.03Å; M119-K122 CarbonylContact O-C 3.39Å; M119-K122 PolarHBondContact O-N 3.4Å; K122-L124 HydrophobicContact CB-CD1 3.87Å; K122-L124 HydrophobicContact CB-CG 3.86Å; K122-L124 PolarHBondContact O-N 3.02Å
123K91.3Very high79.4Confident157 Ų15780.4 Ų80.468%0.68341%0.406SS*.THydrogen-bonded Turntrans55.435.1-177.9-55.2177.4-178.2174.90113M119 K120 R121 K186M119-K123 PolarHBondContact O-N 3.37Å; K120-K123 PolarHBondContact O-N 2.91Å; R121-K123 VanDerWaalsContact C-N 3.25Å; R121-K123 PolarHBondContact O-N 3.5Å; K123-K186 WeakPolarHBondContact O-CB 3.18Å; K123-K186 PolarHBondContact O-N 3.05Å
124L91.9Very high77.2Confident14 Ų1487 Ų877%0.07343%0.428CS..EExtended strand (participates in β ladder)trans-95.3143.6177.3-58.1175.3000110.7M90 F118 M119 K122 V183 D184M90-L124 HydrophobicContact CE-CD1 3.92Å; F118-L124 HydrophobicContact CE1-CD1 4.09Å; F118-L124 HydrophobicContact CZ-CD1 4.02Å; M119-L124 HydrophobicContact CB-CB 4.14Å; M119-L124 HydrophobicContact CE-CB 4.34Å; M119-L124 HydrophobicContact CG-CB 4.26Å; M119-L124 PolarHBondContact O-N 2.88Å; K122-L124 HydrophobicContact CB-CD1 3.87Å; K122-L124 HydrophobicContact CB-CG 3.86Å; K122-L124 PolarHBondContact O-N 3.02Å; L124-V183 HydrophobicContact CB-CG1 3.69Å; L124-V183 HydrophobicContact CD1-CG1 4.23Å; L124-V183 HydrophobicContact CD2-CG1 4.42Å; L124-V183 HydrophobicContact CG-CG1 4.32Å; L124-D184 WeakPolarHBondContact CA-O 2.94Å
125V88.8Confident75.4Confident46 Ų4696.1 Ų96.128%0.27947%0.468SS..EExtended strand (participates in β ladder)trans-139.5149178.6-70.80000110.6R127 V183 D184 K186V125-R127 HydrophobicContact CG2-CG 3.92Å; V125-R127 PolarHBondContact O-N 3.37Å; V125-V183 WeakPolarHBondContact O-CA 3.27Å; V125-D184 PolarHBondContact N-O 2.85Å; V125-D184 PolarHBondContact O-N 3.43Å; V125-K186 HydrophobicContact CG1-CB 4.21Å; V125-K186 HydrophobicContact CG1-CG 4.31Å; V125-K186 HydrophobicContact CG2-CB 4.12Å
126L85.6Confident73.8Confident67 Ų67104 Ų10435%0.35150%0.502SS..EExtended strand (participates in β ladder)trans-72126.2166.8-81.4169.9000108.6R87 M119 V183R87-L126 HydrophobicContact CG-CD1 4.01Å; R87-L126 HydrophobicContact CG-CG 4.33Å; M119-L126 HydrophobicContact CE-CG 4.42Å; L126-V183 HydrophobicContact CD2-CG2 3.86Å; L126-V183 HydrophobicContact CG-CG2 4.46Å
127R79.9Confident72.6Confident79 Ų79104.3 Ų104.330%0.29850%0.504SS..EExtended strand (participates in β ladder)trans-118.8139.3178.3-60.9-73.5-69.4-127.6-14.3109.8V125 R181 T182 D184 A188 I191V125-R127 HydrophobicContact CG2-CG 3.92Å; V125-R127 PolarHBondContact O-N 3.37Å; R127-R181 WeakPolarHBondContact O-CA 3.16Å; R127-T182 PolarHBondContact N-O 2.88Å; R127-T182 PolarHBondContact O-N 2.86Å; R127-T182 VanDerWaalsContact O-N 3.12Å; R127-D184 HydrophobicContact CG-CB 4.22Å; R127-A188 PolarHBondContact NH2-O 3.28Å; R127-I191 HydrophobicContact CB-CD1 3.31Å; R127-I191 HydrophobicContact CB-CG1 4.24Å; R127-I191 HydrophobicContact CG-CD1 4.1Å
128Q71.5Confident71.6Confident106 Ų106104.5 Ų104.550%0.49552%0.521SS..EExtended strand (participates in β ladder)trans-98.8143.2178.3-170172.4-42.600110.4T130 F180 R181Q128-T130 PolarHBondContact O-N 3.46Å; Q128-F180 CarbonylContact C-O 3.54Å; Q128-F180 VanDerWaalsContact CA-O 3.27Å; Q128-F180 WeakPolarHBondContact CA-O 3.47Å; Q128-R181 HydrophobicContact CB-CG 4.18Å; Q128-R181 HydrophobicContact CG-CG 4.21Å
129K64.8Low71Confident67 Ų67107.6 Ų107.629%0.29154%0.538SS..  trans-60.9128.1164.8-78.7-170170.5-174.40109K131 F180K129-K131 PolarHBondContact O-N 3.47Å; K129-K131 VanDerWaalsContact O-N 3.15Å; K129-F180 PolarHBondContact N-O 3.25Å
130T48.2Very low70.3Confident150 Ų150108.6 Ų108.692%0.9254%0.543SS*.  trans-63.5114.5179.8-24.50000109.3Q128Q128-T130 PolarHBondContact O-N 3.46Å
131K47.5Very low70Confident169 Ų169105.7 Ų105.774%0.73553%0.532SS*.  trans-126136.4163.4-99.5-170.2175.9-174.10107.5K129 A133K129-K131 PolarHBondContact O-N 3.47Å; K129-K131 VanDerWaalsContact O-N 3.15Å; K131-A133 PolarHBondContact O-N 2.92Å
132V34.9Very low69.8Low145 Ų145105.3 Ų105.388%0.87954%0.537SS*.  trans-66.2114.6174-179.10000107.8
133A37.7Very low69.5Low90 Ų90105.3 Ų105.374%0.74454%0.537SS*.PPolyproline II helixtrans-76.8131171.300000108.8K131K131-A133 PolarHBondContact O-N 2.92Å
134Q47.1Very low69.3Low190 Ų19098.2 Ų98.289%0.88851%0.506SS*.PPolyproline II helixtrans-74.1136.9168.8-70.8174.8-2400108.9
135K53.9Low69.3Low204 Ų204103 Ų10389%0.88752%0.524SS*.PPolyproline II helixtrans-64.7144.1171.6-73.8-177.5178.2178.40109
136K61Low69.4Low166 Ų166105 Ų10572%0.72253%0.532SS*.PPolyproline II helixtrans-63.3139.5172.7-67.5-177.9176.7-175.10109.4L140K136-L140 HydrophobicContact CD-CD2 4.28Å
137P67.3Low69.7Low53 Ų53102.8 Ų102.834%0.34452%0.52SS..PPolyproline II helixtrans-58.2146.5172.1-22.633.3000111.7D139 L140P137-D139 VanDerWaalsContact C-N 3.27Å; P137-D139 WeakPolarHBondContact CB-OD1 3.14Å; P137-D139 PolarHBondContact O-N 3.34Å; P137-L140 WeakPolarHBondContact O-CB 3.44Å; P137-L140 PolarHBondContact O-N 3.2Å
138V71.5Confident70.2Confident156 Ų156106.4 Ų106.495%0.94553%0.534SS*.THydrogen-bonded Turntrans-67.6-30.7179.2177.20000111.3L140V138-L140 VanDerWaalsContact C-N 3.29Å; V138-L140 PolarHBondContact O-N 3.42Å
139D81Confident71.2Confident65 Ų65109.2 Ų109.235%0.34854%0.54SS..THydrogen-bonded Turntrans-89.517.3-177.566.2-9.9000114P137 E141 K143P137-D139 VanDerWaalsContact C-N 3.27Å; P137-D139 WeakPolarHBondContact CB-OD1 3.14Å; P137-D139 PolarHBondContact O-N 3.34Å; D139-E141 VanDerWaalsContact C-N 3.35Å; D139-E141 PolarHBondContact O-N 3.03Å; D139-K143 WeakPolarHBondContact O-CG 3.28Å; D139-K143 PolarHBondContact O-N 3.29Å; D139-K143 VanDerWaalsContact O-N 3.16Å; D139-K143 IonicContact OD1-NZ 2.86Å; D139-K143 PolarHBondContact OD1-NZ 3.25Å; D139-K143 WeakPolarHBondContact OD2-CE 3.39Å; D139-K143 IonicContact OD2-NZ 3.58Å; D139-K143 PolarHBondContact OD2-NZ 2.71Å
140L78.5Confident72.5Confident25 Ų25110.6 Ų110.613%0.13155%0.547CS..Hα-helixtrans-57.8-46.1-174.8-17083.7000112.2K136 P137 V138 L144 L284K136-L140 HydrophobicContact CD-CD2 4.28Å; P137-L140 WeakPolarHBondContact O-CB 3.44Å; P137-L140 PolarHBondContact O-N 3.2Å; V138-L140 VanDerWaalsContact C-N 3.29Å; V138-L140 PolarHBondContact O-N 3.42Å; L140-L144 HydrophobicContact CD2-CD1 4.29Å; L140-L144 HydrophobicContact CG-CD1 4.02Å; L140-L144 WeakPolarHBondContact O-CB 3.47Å; L140-L144 WeakPolarHBondContact O-CG 3.07Å; L140-L144 PolarHBondContact O-N 3.03Å; L140-L284 HydrophobicContact CD1-CD2 3.17Å; L140-L284 HydrophobicContact CG-CD2 3.91Å
141E84.4Confident74.6Confident120 Ų120104.9 Ų104.956%0.56151%0.512SS*.Hα-helixtrans-70.7-40.1-172.9-164.561-148.400112D139 L144 R145D139-E141 VanDerWaalsContact C-N 3.35Å; D139-E141 PolarHBondContact O-N 3.03Å; E141-L144 WeakPolarHBondContact O-CB 2.98Å; E141-L144 PolarHBondContact O-N 2.71Å; E141-R145 WeakPolarHBondContact O-CB 3.42Å; E141-R145 PolarHBondContact O-N 3.1Å
142D87.9Confident76.6Confident78 Ų78101.9 Ų101.942%0.41750%0.499SS..Hα-helixtrans-63.8-47.2175.9-69.7-51.6000110.9L144 R145 D146D142-L144 VanDerWaalsContact C-N 3.28Å; D142-L144 PolarHBondContact O-N 2.94Å; D142-R145 WeakPolarHBondContact O-CB 3.29Å; D142-R145 PolarHBondContact O-N 3.01Å; D142-R145 VanDerWaalsContact O-N 3.17Å; D142-R145 IonicContact OD1-CZ 3.09Å; D142-R145 IonicContact OD1-NH1 2.62Å; D142-R145 PolarHBondContact OD1-NH1 3.46Å; D142-R145 IonicContact OD1-NH2 3.9Å; D142-R145 PolarHBondContact OD1-NH2 2.94Å; D142-D146 WeakPolarHBondContact O-CB 3.26Å; D142-D146 PolarHBondContact O-N 3.28Å
143K84.6Confident79.3Confident64 Ų6497.2 Ų97.228%0.27848%0.48SS..Hα-helixtrans-59.8-38.3175.3-71.8173.9169156.10112.4D139 F147 P281 L284D139-K143 WeakPolarHBondContact O-CG 3.28Å; D139-K143 PolarHBondContact O-N 3.29Å; D139-K143 VanDerWaalsContact O-N 3.16Å; D139-K143 IonicContact OD1-NZ 2.86Å; D139-K143 PolarHBondContact OD1-NZ 3.25Å; D139-K143 WeakPolarHBondContact OD2-CE 3.39Å; D139-K143 IonicContact OD2-NZ 3.58Å; D139-K143 PolarHBondContact OD2-NZ 2.71Å; K143-F147 VanDerWaalsContact O-CB 3.26Å; K143-F147 WeakPolarHBondContact O-CB 3.44Å; K143-F147 PolarHBondContact O-N 2.84Å; K143-P281 HydrophobicContact CB-CG 4.32Å; K143-L284 HydrophobicContact CB-CD1 3.72Å; K143-L284 HydrophobicContact CB-CD2 4.29Å; K143-L284 HydrophobicContact CB-CG 4.21Å
144L88.2Confident81.9Confident9 Ų994.5 Ų94.55%0.04745%0.453CS..Hα-helixtrans-64.1-46.5176.4-78.7168000111.1L140 E141 D142 R148 L284 V287 L288L140-L144 HydrophobicContact CD2-CD1 4.29Å; L140-L144 HydrophobicContact CG-CD1 4.02Å; L140-L144 WeakPolarHBondContact O-CB 3.47Å; L140-L144 WeakPolarHBondContact O-CG 3.07Å; L140-L144 PolarHBondContact O-N 3.03Å; E141-L144 WeakPolarHBondContact O-CB 2.98Å; E141-L144 PolarHBondContact O-N 2.71Å; D142-L144 VanDerWaalsContact C-N 3.28Å; D142-L144 PolarHBondContact O-N 2.94Å; L144-R148 WeakPolarHBondContact O-CB 3.44Å; L144-R148 VanDerWaalsContact O-CG 3.27Å; L144-R148 WeakPolarHBondContact O-CG 3.26Å; L144-R148 PolarHBondContact O-N 3.05Å; L144-L284 HydrophobicContact CB-CD1 4.48Å; L144-L284 HydrophobicContact CD2-CD1 3.83Å; L144-L284 HydrophobicContact CD2-CD2 4.48Å; L144-L284 HydrophobicContact CG-CD1 3.9Å; L144-L284 HydrophobicContact CG-CD2 4.24Å; L144-V287 HydrophobicContact CD1-CG1 4.35Å; L144-V287 HydrophobicContact CD2-CB 4.46Å; L144-V287 HydrophobicContact CD2-CG1 3.9Å; L144-L288 HydrophobicContact CD2-CD1 3.82Å; L144-L288 HydrophobicContact CD2-CD2 3.38Å; L144-L288 HydrophobicContact CD2-CG 3.45Å; L144-L288 VanDerWaalsContact CD2-CG 3.45Å
145R90.6Very high83.8Confident115 Ų11587 Ų8743%0.43442%0.42SS..Hα-helixtrans-60-52.1177.6-178.2-172.167.6-136-10.8110.5E141 D142 F147 R148 W149E141-R145 WeakPolarHBondContact O-CB 3.42Å; E141-R145 PolarHBondContact O-N 3.1Å; D142-R145 WeakPolarHBondContact O-CB 3.29Å; D142-R145 PolarHBondContact O-N 3.01Å; D142-R145 VanDerWaalsContact O-N 3.17Å; D142-R145 IonicContact OD1-CZ 3.09Å; D142-R145 IonicContact OD1-NH1 2.62Å; D142-R145 PolarHBondContact OD1-NH1 3.46Å; D142-R145 IonicContact OD1-NH2 3.9Å; D142-R145 PolarHBondContact OD1-NH2 2.94Å; R145-F147 VanDerWaalsContact C-N 3.35Å; R145-F147 PolarHBondContact O-N 2.85Å; R145-R148 WeakPolarHBondContact O-CB 3.3Å; R145-R148 PolarHBondContact O-N 3.48Å; R145-W149 PolarHBondContact O-N 3.34Å
146D91.1Very high85.4Confident87 Ų8782.5 Ų82.547%0.46541%0.405SS..Hα-helixtrans-64.8-41-174.9-62.3-9.5000111.2D142 W149 H150D142-D146 WeakPolarHBondContact O-CB 3.26Å; D142-D146 PolarHBondContact O-N 3.28Å; D146-W149 PolarHBondContact O-N 2.91Å; D146-H150 WeakPolarHBondContact O-CB 3.43Å; D146-H150 PolarHBondContact O-N 2.9Å
147F91.3Very high86.5Confident21 Ų2177.6 Ų77.69%0.09240%0.403CS..Hα-helixtrans-64.4-41.2175-177.5-100.8000112.6K143 R145 W149 H150 V151 V254 A278 V279 F280 P281 L288K143-F147 VanDerWaalsContact O-CB 3.26Å; K143-F147 WeakPolarHBondContact O-CB 3.44Å; K143-F147 PolarHBondContact O-N 2.84Å; R145-F147 VanDerWaalsContact C-N 3.35Å; R145-F147 PolarHBondContact O-N 2.85Å; F147-W149 VanDerWaalsContact C-N 3.34Å; F147-W149 PolarHBondContact O-N 3.2Å; F147-H150 PolarHBondContact O-N 3.25Å; F147-V151 HydrophobicContact CD1-CG2 4.12Å; F147-V151 HydrophobicContact CD2-CG2 4.44Å; F147-V151 HydrophobicContact CE1-CG2 3.63Å; F147-V151 HydrophobicContact CE2-CG2 3.97Å; F147-V151 HydrophobicContact CZ-CG2 3.55Å; F147-V151 WeakPolarHBondContact O-CG2 3.25Å; F147-V151 PolarHBondContact O-N 2.99Å; F147-V254 HydrophobicContact CZ-CG1 3.79Å; F147-A278 HydrophobicContact CE2-CB 4.25Å; F147-A278 HydrophobicContact CZ-CB 4.39Å; F147-V279 VanDerWaalsContact CE2-O 3.28Å; F147-V279 WeakPolarHBondContact CE2-O 3.38Å; F147-F280 HydrophobicContact CD1-CD1 4.32Å; F147-F280 AromaticContact CE1-CD1 3.53Å; F147-F280 HydrophobicContact CE1-CD1 3.53Å; F147-F280 AromaticContact CE1-CE1 3.48Å; F147-F280 HydrophobicContact CE1-CE1 3.48Å; F147-F280 VanDerWaalsContact CE1-CE1 3.48Å; F147-F280 HydrophobicContact CE2-CD1 4.03Å; F147-F280 AromaticContact CZ-CD1 3.35Å; F147-F280 HydrophobicContact CZ-CD1 3.35Å; F147-F280 AromaticContact CZ-CE1 3.5Å; F147-F280 HydrophobicContact CZ-CE1 3.5Å; F147-F280 VanDerWaalsContact CZ-CE1 3.5Å; F147-F280 HydrophobicContact CZ-CG 4.28Å; F147-P281 HydrophobicContact CB-CG 4.28Å; F147-L288 HydrophobicContact CB-CD1 4.29Å; F147-L288 HydrophobicContact CD1-CD1 3.43Å; F147-L288 VanDerWaalsContact CD1-CD1 3.43Å; F147-L288 HydrophobicContact CE1-CD1 3.94Å; F147-L288 HydrophobicContact CG-CD1 3.98Å
148R91.4Very high87.4Confident154 Ų15476.5 Ų76.558%0.58139%0.394SS*.Hα-helixtrans-60.9-43.7175.4-78173.3175.4167.70.8111.6L144 R145 K152L144-R148 WeakPolarHBondContact O-CB 3.44Å; L144-R148 VanDerWaalsContact O-CG 3.27Å; L144-R148 WeakPolarHBondContact O-CG 3.26Å; L144-R148 PolarHBondContact O-N 3.05Å; R145-R148 WeakPolarHBondContact O-CB 3.3Å; R145-R148 PolarHBondContact O-N 3.48Å; R148-K152 VanDerWaalsContact O-CB 3.25Å; R148-K152 WeakPolarHBondContact O-CB 3.43Å; R148-K152 PolarHBondContact O-N 2.94Å
149W93Very high88Confident166 Ų16677.2 Ų77.263%0.62939%0.387SS*.Hα-helixtrans-63.5-42.3175.4-80.1110.7000112.2R145 D146 F147 K152 G153R145-W149 PolarHBondContact O-N 3.34Å; D146-W149 PolarHBondContact O-N 2.91Å; F147-W149 VanDerWaalsContact C-N 3.34Å; F147-W149 PolarHBondContact O-N 3.2Å; W149-K152 HydrophobicContact CE3-CD 4.47Å; W149-K152 HydrophobicContact CZ3-CD 4.46Å; W149-K152 PolarHBondContact O-N 3.2Å; W149-G153 PolarHBondContact O-N 2.91Å
150H92.4Very high88.2Confident95 Ų9575 Ų7544%0.4437%0.374SS..Hα-helixtrans-59.5-50.4176.4177.170.3000112.1D146 F147 K152 G153 L154D146-H150 WeakPolarHBondContact O-CB 3.43Å; D146-H150 PolarHBondContact O-N 2.9Å; F147-H150 PolarHBondContact O-N 3.25Å; H150-K152 PolarHBondContact O-N 3.03Å; H150-G153 PolarHBondContact O-N 3.22Å; H150-L154 WeakPolarHBondContact NE2-CD1 3.49Å; H150-L154 WeakPolarHBondContact O-CG 3.45Å; H150-L154 PolarHBondContact O-N 3.41Å
151V91.3Very high88.6Confident31 Ų3177.3 Ų77.319%0.18839%0.39CS..Hα-helixtrans-62.3-43.5177.3174.70000110.8F147 G153 L154 T155 L252 A278F147-V151 HydrophobicContact CD1-CG2 4.12Å; F147-V151 HydrophobicContact CD2-CG2 4.44Å; F147-V151 HydrophobicContact CE1-CG2 3.63Å; F147-V151 HydrophobicContact CE2-CG2 3.97Å; F147-V151 HydrophobicContact CZ-CG2 3.55Å; F147-V151 WeakPolarHBondContact O-CG2 3.25Å; F147-V151 PolarHBondContact O-N 2.99Å; V151-G153 VanDerWaalsContact C-N 3.33Å; V151-G153 PolarHBondContact O-N 2.73Å; V151-L154 WeakPolarHBondContact O-CB 3.48Å; V151-L154 PolarHBondContact O-N 2.98Å; V151-T155 HydrophobicContact CG1-CG2 4.36Å; V151-T155 WeakPolarHBondContact O-CG2 3.26Å; V151-T155 PolarHBondContact O-N 3.15Å; V151-T155 PolarHBondContact O-OG1 2.86Å; V151-L252 HydrophobicContact CG1-CD2 4.39Å; V151-A278 HydrophobicContact CG2-CB 3.97Å
152K90.7Very high88.6Confident106 Ų10679 Ų7946%0.46140%0.403SS..Hα-helixtrans-61-40.6177.2-173.7177.6179.6-177.20112.3R148 W149 H150 T155 N156R148-K152 VanDerWaalsContact O-CB 3.25Å; R148-K152 WeakPolarHBondContact O-CB 3.43Å; R148-K152 PolarHBondContact O-N 2.94Å; W149-K152 HydrophobicContact CE3-CD 4.47Å; W149-K152 HydrophobicContact CZ3-CD 4.46Å; W149-K152 PolarHBondContact O-N 3.2Å; H150-K152 PolarHBondContact O-N 3.03Å; K152-T155 WeakPolarHBondContact CA-OG1 3.43Å; K152-T155 PolarHBondContact O-N 3.27Å; K152-T155 PolarHBondContact O-OG1 3.39Å; K152-N156 VanDerWaalsContact O-CB 3.3Å; K152-N156 WeakPolarHBondContact O-CB 3.46Å; K152-N156 PolarHBondContact O-N 3.05Å; K152-N156 PolarHBondContact O-OD1 2.84Å
153G91.5Very high88.6Confident46 Ų4677.3 Ų77.347%0.47440%0.404SS..Hα-helixtrans-62.2-44.2174.900000112W149 H150 V151 G157W149-G153 PolarHBondContact O-N 2.91Å; H150-G153 PolarHBondContact O-N 3.22Å; V151-G153 VanDerWaalsContact C-N 3.33Å; V151-G153 PolarHBondContact O-N 2.73Å; G153-G157 PolarHBondContact O-N 3.31Å
154L90.9Very high88.8Confident33 Ų3374.5 Ų74.517%0.17339%0.392CS..Hα-helixtrans-63-43.3175.4-71.5174.4000112.2H150 V151 N158 F160 L252 A278H150-L154 WeakPolarHBondContact NE2-CD1 3.49Å; H150-L154 WeakPolarHBondContact O-CG 3.45Å; H150-L154 PolarHBondContact O-N 3.41Å; V151-L154 WeakPolarHBondContact O-CB 3.48Å; V151-L154 PolarHBondContact O-N 2.98Å; L154-N158 WeakPolarHBondContact O-CB 3.31Å; L154-N158 PolarHBondContact O-N 3.1Å; L154-N158 PolarHBondContact O-ND2 3.46Å; L154-F160 WeakPolarHBondContact O-CE2 3.38Å; L154-L252 HydrophobicContact CB-CD2 4.47Å; L154-L252 HydrophobicContact CD1-CD1 3.99Å; L154-A278 HydrophobicContact CD1-CB 4.05Å
155T88.5Confident88.9Confident33 Ų3376.9 Ų76.920%0.20240%0.404CS..Hα-helixtrans-68.4-44.7179.754.20000112V151 K152 N158 E159 I165 L252V151-T155 HydrophobicContact CG1-CG2 4.36Å; V151-T155 WeakPolarHBondContact O-CG2 3.26Å; V151-T155 PolarHBondContact O-N 3.15Å; V151-T155 PolarHBondContact O-OG1 2.86Å; K152-T155 WeakPolarHBondContact CA-OG1 3.43Å; K152-T155 PolarHBondContact O-N 3.27Å; K152-T155 PolarHBondContact O-OG1 3.39Å; T155-N158 PolarHBondContact O-N 3.12Å; T155-E159 PolarHBondContact O-N 2.66Å; T155-I165 HydrophobicContact CG2-CD1 3.77Å; T155-L252 HydrophobicContact CG2-CD2 3.97Å
156N85.9Confident88.9Confident109 Ų10971.7 Ų71.758%0.58339%0.386SS*.Hα-helixtrans-67.2-39.6-178.5-71.55.5000112.3K152 N158K152-N156 VanDerWaalsContact O-CB 3.3Å; K152-N156 WeakPolarHBondContact O-CB 3.46Å; K152-N156 PolarHBondContact O-N 3.05Å; K152-N156 PolarHBondContact O-OD1 2.84Å; N156-N158 VanDerWaalsContact C-N 3.3Å; N156-N158 PolarHBondContact O-N 2.81Å
157G84.3Confident89Confident64 Ų6469.4 Ų69.466%0.6637%0.374SS*.Hα-helixtrans-78.6-8-178.300000115.2G153G153-G157 PolarHBondContact O-N 3.31Å
158N86.3Confident89Confident30 Ų3068.9 Ų68.916%0.1637%0.372CS..Hα-helixtrans-127.2-8.5-176-65-100.1000113.7L154 T155 N156 F160 R250L154-N158 WeakPolarHBondContact O-CB 3.31Å; L154-N158 PolarHBondContact O-N 3.1Å; L154-N158 PolarHBondContact O-ND2 3.46Å; T155-N158 PolarHBondContact O-N 3.12Å; N156-N158 VanDerWaalsContact C-N 3.3Å; N156-N158 PolarHBondContact O-N 2.81Å; N158-F160 VanDerWaalsContact C-N 3.28Å; N158-F160 HydrophobicContact CB-CD1 4.21Å; N158-F160 HydrophobicContact CB-CD2 3.76Å; N158-F160 HydrophobicContact CB-CE1 3.79Å; N158-F160 HydrophobicContact CB-CE2 3.28Å; N158-F160 HydrophobicContact CB-CG 4.2Å; N158-F160 HydrophobicContact CB-CZ 3.29Å; N158-F160 PolarHBondContact O-N 3.04Å; N158-R250 PolarHBondContact OD1-NH2 3.07Å
159E85.2Confident89Confident170 Ų17062.5 Ų62.579%0.79435%0.349SS*.THydrogen-bonded Turntrans50.144.4179.3-59-176.2125.100113.4T155 P161T155-E159 PolarHBondContact O-N 2.66Å; E159-P161 WeakPolarHBondContact O-CD 3.46Å
160F85.2Confident88.7Confident18 Ų1857.6 Ų57.68%0.07933%0.333CS..  trans-63.7127.6178.9-60-65.4000110.7L154 N158 I165 R250 L252 K276L154-F160 WeakPolarHBondContact O-CE2 3.38Å; N158-F160 VanDerWaalsContact C-N 3.28Å; N158-F160 HydrophobicContact CB-CD1 4.21Å; N158-F160 HydrophobicContact CB-CD2 3.76Å; N158-F160 HydrophobicContact CB-CE1 3.79Å; N158-F160 HydrophobicContact CB-CE2 3.28Å; N158-F160 HydrophobicContact CB-CG 4.2Å; N158-F160 HydrophobicContact CB-CZ 3.29Å; N158-F160 PolarHBondContact O-N 3.04Å; F160-I165 HydrophobicContact CB-CG1 4.17Å; F160-R250 HydrophobicContact CD1-CB 4.22Å; F160-R250 WeakPolarHBondContact CD1-O 3.46Å; F160-R250 HydrophobicContact CE1-CB 3.97Å; F160-L252 HydrophobicContact CD2-CB 3.85Å; F160-L252 HydrophobicContact CD2-CD2 4.45Å; F160-L252 HydrophobicContact CE2-CB 3.85Å; F160-L252 HydrophobicContact CG-CB 4.32Å; F160-L252 HydrophobicContact CZ-CB 4.31Å; F160-K276 HydrophobicContact CE2-CB 4.48Å; F160-K276 HydrophobicContact CZ-CB 3.93Å; F160-K276 HydrophobicContact CZ-CG 3.76Å
161P85.3Confident88.4Confident74 Ų7454.8 Ų54.848%0.48132%0.323SS..  trans-56.3146.6166.3-23.833.6000110.5E159 G163 N164E159-P161 WeakPolarHBondContact O-CD 3.46Å; P161-G163 PolarHBondContact O-N 3.4Å; P161-G163 VanDerWaalsContact O-N 3.17Å; P161-N164 HydrophobicContact CB-CB 4.5Å; P161-N164 WeakPolarHBondContact O-CA 3.1Å; P161-N164 WeakPolarHBondContact O-CB 3.49Å; P161-N164 PolarHBondContact O-N 3.15Å
162L85.8Confident87.9Confident157 Ų15755.9 Ų55.982%0.82233%0.33SS*.G310 helixtrans-57.3-35.4-178.5-67.7177.6000112.8N164 I165L162-N164 PolarHBondContact O-N 3.26Å; L162-I165 HydrophobicContact CD2-CD1 4.45Å; L162-I165 PolarHBondContact O-N 2.8Å
163G86.7Confident87.6Confident42 Ų4252.3 Ų52.343%0.43332%0.316SS..G310 helixtrans-66.2-11.6174.900000115P161P161-G163 PolarHBondContact O-N 3.4Å; P161-G163 VanDerWaalsContact O-N 3.17Å
164N89.2Confident87.1Confident5 Ų552.7 Ų52.73%0.02731%0.305CS..G310 helixtrans-99.52.6177.6-76.37.7000113.6P161 L162 H246 S249 R250 S251 L252P161-N164 HydrophobicContact CB-CB 4.5Å; P161-N164 WeakPolarHBondContact O-CA 3.1Å; P161-N164 WeakPolarHBondContact O-CB 3.49Å; P161-N164 PolarHBondContact O-N 3.15Å; L162-N164 PolarHBondContact O-N 3.26Å; N164-H246 PolarHBondContact OD1-CD2 3.03Å; N164-S249 VanDerWaalsContact ND2-CB 3.29Å; N164-S249 WeakPolarHBondContact ND2-CB 3.41Å; N164-S249 PolarHBondContact ND2-OG 2.75Å; N164-S249 PolarHBondContact OD1-OG 2.91Å; N164-R250 PolarHBondContact ND2-O 3.4Å; N164-S251 WeakPolarHBondContact O-CA 3.25Å; N164-S251 WeakPolarHBondContact O-CB 3.33Å; N164-L252 PolarHBondContact O-N 3.27Å
165I90.7Very high86.5Confident59 Ų5954.8 Ų54.830%0.30331%0.313SS..EExtended strand (participates in β ladder)trans-98.3113.3172.8-54.5178.1000107.9T155 F160 L162 L252 V254T155-I165 HydrophobicContact CG2-CD1 3.77Å; F160-I165 HydrophobicContact CB-CG1 4.17Å; L162-I165 HydrophobicContact CD2-CD1 4.45Å; L162-I165 PolarHBondContact O-N 2.8Å; I165-L252 CarbonylContact C-O 3.53Å; I165-L252 WeakPolarHBondContact CA-O 3.41Å; I165-L252 HydrophobicContact CG1-CB 4.36Å; I165-L252 HydrophobicContact CG2-CB 4.5Å; I165-L252 HydrophobicContact CG2-CD2 4.28Å; I165-L252 HydrophobicContact CG2-CG 4.48Å; I165-V254 HydrophobicContact CG2-CG2 4.34Å
166G91.3Very high86.2Confident6 Ų653.6 Ų53.66%0.06231%0.305CS..EExtended strand (participates in β ladder)trans-106.3154.9-17600000113.4W240 L252 V254G166-W240 VanDerWaalsContact CA-CZ3 3.43Å; G166-W240 VanDerWaalsContact N-CH2 3.31Å; G166-L252 PolarHBondContact N-O 3.08Å; G166-V254 PolarHBondContact O-N 2.76Å
167N92.6Very high86Confident39 Ų3949 Ų4921%0.20928%0.28CS..EExtended strand (participates in β ladder)trans-128.2140.1165.9-179.1-123.1000110.6V254 Q289 P290 L291N167-V254 VanDerWaalsContact CA-O 3.31Å; N167-V254 WeakPolarHBondContact CA-O 3.18Å; N167-V254 PolarHBondContact ND2-O 3.43Å; N167-Q289 VanDerWaalsContact CG-OE1 3.24Å; N167-Q289 PolarHBondContact ND2-OE1 3.38Å; N167-Q289 PolarHBondContact OD1-OE1 2.99Å; N167-P290 WeakPolarHBondContact OD1-CD 3.18Å; N167-L291 VanDerWaalsContact OD1-CD1 3.29Å; N167-L291 WeakPolarHBondContact OD1-CD1 3.46Å; N167-L291 WeakPolarHBondContact OD1-CG 3.25Å; N167-L291 PolarHBondContact OD1-N 3.27Å
168M91.1Very high85.6Confident10 Ų1046.6 Ų46.65%0.04925%0.252CS..  trans-133.5140.1177.8-178.4-83.3179.200109.3E170 M227 W235 L253 V254 W255 Q289M168-E170 HydrophobicContact CE-CG 3.92Å; M168-M227 HydrophobicContact CE-CE 3.36Å; M168-W235 HydrophobicContact CB-CH2 3.58Å; M168-W235 HydrophobicContact CB-CZ2 3.7Å; M168-W235 HydrophobicContact CB-CZ3 4.08Å; M168-W235 HydrophobicContact CG-CD2 3.99Å; M168-W235 HydrophobicContact CG-CE3 4.13Å; M168-W235 HydrophobicContact CG-CH2 3.77Å; M168-W235 HydrophobicContact CG-CZ2 3.56Å; M168-W235 HydrophobicContact CG-CZ3 4.03Å; M168-L253 HydrophobicContact CB-CD1 4.13Å; M168-V254 PolarHBondContact N-O 3.3Å; M168-W255 HydrophobicContact SD-CE3 4.22Å; M168-Q289 PolarHBondContact O-NE2 3.47Å
169D90.6Very high84.9Confident20 Ų2045.5 Ų45.511%0.10725%0.248CC..  trans-159.8145.5178.7-166.155.9000109.1R285 Q289 L291 N296D169-R285 IonicContact OD1-NH1 2.85Å; D169-Q289 HydrophobicContact CB-CG 4.28Å; D169-Q289 VanDerWaalsContact CG-NE2 3.3Å; D169-Q289 PolarHBondContact OD1-NE2 2.88Å; D169-L291 HydrophobicContact CB-CB 3.93Å; D169-L291 HydrophobicContact CB-CD1 3.59Å; D169-L291 HydrophobicContact CB-CG 4.4Å; D169-N296 PolarHBondContact OD2-ND2 3.19Å
170E86.8Confident84.3Confident63 Ų6341.9 Ų41.929%0.29423%0.23SC..  trans-95136.4170.5-51.592.9156.500111.6M168 M227 H261M168-E170 HydrophobicContact CE-CG 3.92Å; E170-M227 HydrophobicContact CG-CB 4.44Å; E170-M227 WeakPolarHBondContact OE1-CB 3.27Å; E170-M227 VanDerWaalsContact OE1-CG 3.22Å; E170-M227 WeakPolarHBondContact OE1-CG 3.49Å; E170-H261 IonicContact OE1-CE1 3.2Å; E170-H261 PolarHBondContact OE1-CE1 3.38Å; E170-H261 IonicContact OE1-NE2 2.9Å; E170-H261 PolarHBondContact OE1-NE2 2.96Å; E170-H261 VanDerWaalsContact OE1-NE2 3.13Å; E170-H261 IonicContact OE2-CE1 2.8Å
171T86Confident84Confident35 Ų3547.9 Ų47.922%0.21525%0.252CS..  trans-119.3113.2177.2-142.70000110.6I173 N296 F299 K300T171-I173 HydrophobicContact CG2-CD1 4.38Å; T171-I173 PolarHBondContact O-N 2.89Å; T171-N296 PolarHBondContact OG1-ND2 2.95Å; T171-F299 HydrophobicContact CG2-CD1 3.79Å; T171-F299 HydrophobicContact CG2-CE1 3.75Å; T171-K300 WeakPolarHBondContact OG1-CE 3.43Å; T171-K300 PolarHBondContact OG1-NZ 3.42Å
172P81.6Confident83.9Confident54 Ų5444.5 Ų44.535%0.35123%0.23SC..  trans-69.2135.1178.925.1-32.7000110.2F174 H202 K300P172-F174 HydrophobicContact CB-CE2 4.1Å; P172-F174 HydrophobicContact CB-CZ 4.04Å; P172-F174 HydrophobicContact CG-CE2 4.16Å; P172-F174 HydrophobicContact CG-CZ 4.2Å; P172-H202 VanDerWaalsContact CB-CD2 3.49Å; P172-H202 WeakPolarHBondContact CB-CD2 3.46Å; P172-K300 WeakPolarHBondContact O-CE 3.29Å
173I83.5Confident83.7Confident32 Ų3237 Ų3716%0.16419%0.191CC..  trans-109.9129.6167.3-55.9-55.1000107.8T171 F203 F299 K300 M303T171-I173 HydrophobicContact CG2-CD1 4.38Å; T171-I173 PolarHBondContact O-N 2.89Å; I173-F203 HydrophobicContact CB-CD2 4.11Å; I173-F203 HydrophobicContact CB-CE2 4.31Å; I173-F203 HydrophobicContact CG2-CD2 3.79Å; I173-F203 HydrophobicContact CG2-CE2 3.48Å; I173-F203 VanDerWaalsContact CG2-CE2 3.48Å; I173-F203 WeakPolarHBondContact O-CD2 3.4Å; I173-F299 HydrophobicContact CD1-CD1 4.08Å; I173-F299 HydrophobicContact CD1-CE1 3.37Å; I173-F299 HydrophobicContact CD1-CZ 4.1Å; I173-F299 HydrophobicContact CG1-CE1 3.89Å; I173-F299 HydrophobicContact CG1-CZ 4.31Å; I173-K300 HydrophobicContact CD1-CG 4.35Å; I173-M303 HydrophobicContact CD1-CG 4.31Å; I173-M303 HydrophobicContact CG2-CE 4.09Å
174F81.7Confident83.6Confident53 Ų5336 Ų3623%0.23218%0.176CC..BIsolated β-bridgetrans-101.3153.6-179.6-58.9-86.1000109.8P172 D176 M177 T201 H202 F203P172-F174 HydrophobicContact CB-CE2 4.1Å; P172-F174 HydrophobicContact CB-CZ 4.04Å; P172-F174 HydrophobicContact CG-CE2 4.16Å; P172-F174 HydrophobicContact CG-CZ 4.2Å; F174-D176 PolarHBondContact O-N 3.22Å; F174-M177 HydrophobicContact CB-SD 4.19Å; F174-M177 HydrophobicContact CD2-SD 4.1Å; F174-M177 WeakPolarHBondContact O-CG 3.22Å; F174-T201 WeakPolarHBondContact CA-O 3.36Å; F174-H202 AromaticContact CD1-CD2 3.84Å; F174-H202 AromaticContact CD1-NE2 3.92Å; F174-H202 AromaticContact CE1-CD2 3.49Å; F174-H202 VanDerWaalsContact CE1-CD2 3.49Å; F174-H202 WeakPolarHBondContact CE1-CD2 3.38Å; F174-H202 AromaticContact CE1-CE1 3.65Å; F174-H202 AromaticContact CE1-NE2 3.08Å; F174-H202 WeakPolarHBondContact CE1-NE2 3.44Å; F174-H202 AromaticContact CZ-CD2 3.95Å; F174-H202 AromaticContact CZ-NE2 3.41Å; F174-H202 WeakPolarHBondContact CZ-NE2 3.43Å; F174-F203 WeakPolarHBondContact O-CE2 3.27Å
175F79.2Confident83.3Confident77 Ų7739 Ų3934%0.33820%0.197SC..SBendtrans-58.3-38.6170.8-81.9-78.4000111.6H198 T201 H202 F203 W307F175-H198 HydrophobicContact CB-CB 3.78Å; F175-T201 HydrophobicContact CD2-CG2 3.82Å; F175-T201 WeakPolarHBondContact CD2-O 3.47Å; F175-T201 HydrophobicContact CE2-CG2 4.03Å; F175-T201 PolarHBondContact N-O 3.28Å; F175-T201 VanDerWaalsContact N-O 3.09Å; F175-H202 WeakPolarHBondContact CE2-O 3.44Å; F175-F203 HydrophobicContact CD1-CD1 4.05Å; F175-F203 AromaticContact CD1-CE1 3.61Å; F175-F203 HydrophobicContact CD1-CE1 3.61Å; F175-F203 AromaticContact CD1-CZ 3.99Å; F175-F203 HydrophobicContact CD1-CZ 3.99Å; F175-F203 AromaticContact CE1-CD1 3.59Å; F175-F203 HydrophobicContact CE1-CD1 3.59Å; F175-F203 AromaticContact CE1-CE1 3.47Å; F175-F203 HydrophobicContact CE1-CE1 3.47Å; F175-F203 VanDerWaalsContact CE1-CE1 3.47Å; F175-F203 HydrophobicContact CE1-CZ 4.31Å; F175-F203 HydrophobicContact CE2-CD1 4.25Å; F175-F203 HydrophobicContact CE2-CG 4.5Å; F175-F203 HydrophobicContact CG-CE1 4.33Å; F175-F203 HydrophobicContact CG-CZ 4.44Å; F175-F203 AromaticContact CZ-CD1 3.7Å; F175-F203 HydrophobicContact CZ-CD1 3.7Å; F175-F203 HydrophobicContact CZ-CE1 4.09Å; F175-F203 HydrophobicContact CZ-CG 4.37Å; F175-W307 PolarHBondContact O-NE1 3.09Å
176D80.9Confident82.9Confident8 Ų843.7 Ų43.74%0.04322%0.215CC..  trans-104.798.1177.5-84.3-24.4000111.9F174 I178 S195 T196 G197 H198 E199 W307F174-D176 PolarHBondContact O-N 3.22Å; D176-I178 VanDerWaalsContact C-N 3.27Å; D176-I178 HydrophobicContact CB-CD1 4.13Å; D176-I178 HydrophobicContact CB-CG1 4.1Å; D176-I178 PolarHBondContact O-N 3Å; D176-S195 WeakPolarHBondContact OD2-CB 3.34Å; D176-T196 VanDerWaalsContact CG-N 3.3Å; D176-T196 WeakPolarHBondContact OD1-CB 3.42Å; D176-T196 WeakPolarHBondContact OD1-CG2 3.44Å; D176-T196 PolarHBondContact OD1-N 2.91Å; D176-T196 PolarHBondContact OD1-OG1 2.99Å; D176-T196 PolarHBondContact OD2-N 3.03Å; D176-T196 PolarHBondContact OD2-OG1 3.07Å; D176-G197 PolarHBondContact OD2-N 3.12Å; D176-G197 VanDerWaalsContact OD2-N 3.11Å; D176-H198 PolarHBondContact OD2-N 2.98Å; D176-E199 HydrophobicContact CB-CB 4.38Å; D176-E199 HydrophobicContact CB-CG 4.07Å; D176-E199 PolarHBondContact OD2-N 3.17Å; D176-W307 HydrophobicContact CB-CZ2 4.46Å; D176-W307 VanDerWaalsContact OD1-CZ2 3.3Å; D176-W307 WeakPolarHBondContact OD1-CZ2 3.38Å
177M81.9Confident82.4Confident12 Ų1246.2 Ų46.26%0.05924%0.241CC..  trans-92.456.5175.1-69.7-66.2-76.900111F174 G179 K300 M303 R304 W307F174-M177 HydrophobicContact CB-SD 4.19Å; F174-M177 HydrophobicContact CD2-SD 4.1Å; F174-M177 WeakPolarHBondContact O-CG 3.22Å; M177-G179 PolarHBondContact O-N 3.41Å; M177-K300 HydrophobicContact CE-CB 4Å; M177-K300 HydrophobicContact CE-CG 4.07Å; M177-M303 HydrophobicContact CE-CB 4.13Å; M177-R304 HydrophobicContact CB-CG 3.89Å; M177-R304 HydrophobicContact CE-CG 4.08Å; M177-R304 VanDerWaalsContact O-CG 3.3Å; M177-R304 WeakPolarHBondContact O-CG 3.35Å; M177-W307 HydrophobicContact CB-CB 3.96Å; M177-W307 HydrophobicContact CB-CG 4.06Å
178I77.1Confident81.7Confident14 Ų1445.5 Ų45.57%0.07224%0.24CC..  trans-69.8133.8-175.9-55.1165.2000110.6I84 D176 A193 E199 W307I84-I178 HydrophobicContact CD1-CG2 3.35Å; I84-I178 HydrophobicContact CG1-CG2 4.41Å; D176-I178 VanDerWaalsContact C-N 3.27Å; D176-I178 HydrophobicContact CB-CD1 4.13Å; D176-I178 HydrophobicContact CB-CG1 4.1Å; D176-I178 PolarHBondContact O-N 3Å; I178-A193 HydrophobicContact CG2-CB 3.87Å; I178-E199 HydrophobicContact CD1-CG 3.55Å; I178-W307 HydrophobicContact CB-CH2 4.44Å; I178-W307 HydrophobicContact CG1-CH2 3.54Å; I178-W307 HydrophobicContact CG1-CZ2 3.93Å; I178-W307 HydrophobicContact CG1-CZ3 4.06Å
179G71.4Confident80.9Confident8 Ų855.1 Ų55.18%0.08228%0.282CS..  trans-56.8150.5173.300000113.6I84 M177I84-G179 WeakPolarHBondContact CD1-O 3.48Å; M177-G179 PolarHBondContact O-N 3.41Å
180F71.4Confident80Confident94 Ų9458.2 Ų58.241%0.41231%0.305SS..SBendtrans-88.4-14.3177.9-59-67.3000113.7Q128 K129Q128-F180 CarbonylContact C-O 3.54Å; Q128-F180 VanDerWaalsContact CA-O 3.27Å; Q128-F180 WeakPolarHBondContact CA-O 3.47Å; K129-F180 PolarHBondContact N-O 3.25Å
181R78.5Confident79.1Confident144 Ų14457.1 Ų57.154%0.54330%0.301SS..EExtended strand (participates in β ladder)trans-131.5131.1-174.9-67.2-179.5177.1174-1.1110.7I84 R127 Q128I84-R181 WeakPolarHBondContact CG2-O 3.2Å; R127-R181 WeakPolarHBondContact O-CA 3.16Å; Q128-R181 HydrophobicContact CB-CG 4.18Å; Q128-R181 HydrophobicContact CG-CG 4.21Å
182T83.1Confident78.5Confident3 Ų361.4 Ų61.42%0.01832%0.321CS..EExtended strand (participates in β ladder)trans-130.8153.5172-170.50000109.4V85 R127 I191V85-T182 PolarHBondContact N-OG1 2.78Å; V85-T182 CarbonylContact O-C 3.58Å; V85-T182 VanDerWaalsContact O-CA 3.25Å; V85-T182 WeakPolarHBondContact O-CA 3.29Å; R127-T182 PolarHBondContact N-O 2.88Å; R127-T182 PolarHBondContact O-N 2.86Å; R127-T182 VanDerWaalsContact O-N 3.12Å; T182-I191 HydrophobicContact CG2-CG2 3.38Å
183V82.1Confident78Confident0 Ų059.4 Ų59.40%031%0.309CS..EExtended strand (participates in β ladder)trans-72.9135.7164.2-177.80000107.9R79 V85 M90 M119 L124 V125 L126R79-V183 WeakPolarHBondContact CD-O 3.29Å; R79-V183 PolarHBondContact NE-O 2.94Å; V85-V183 WeakPolarHBondContact O-CG2 3.31Å; V85-V183 PolarHBondContact O-N 2.82Å; M90-V183 HydrophobicContact CE-CB 3.54Å; M90-V183 HydrophobicContact CE-CG1 3.24Å; M90-V183 HydrophobicContact CE-CG2 3.76Å; M90-V183 HydrophobicContact SD-CB 4.28Å; M90-V183 HydrophobicContact SD-CG1 4.06Å; M90-V183 HydrophobicContact SD-CG2 3.83Å; M119-V183 HydrophobicContact CE-CG1 3.85Å; M119-V183 HydrophobicContact CE-CG2 3.88Å; L124-V183 HydrophobicContact CB-CG1 3.69Å; L124-V183 HydrophobicContact CD1-CG1 4.23Å; L124-V183 HydrophobicContact CD2-CG1 4.42Å; L124-V183 HydrophobicContact CG-CG1 4.32Å; V125-V183 WeakPolarHBondContact O-CA 3.27Å; L126-V183 HydrophobicContact CD2-CG2 3.86Å; L126-V183 HydrophobicContact CG-CG2 4.46Å
184D84.7Confident77.4Confident21 Ų2163 Ų6311%0.11232%0.324CS..EExtended strand (participates in β ladder)trans-152168.9175.5-145.2-44.8000109.5R79 L124 V125 R127R79-D184 IonicContact CZ-OD2 3.13Å; R79-D184 IonicContact NE-OD2 3.14Å; R79-D184 PolarHBondContact NE-OD2 2.84Å; R79-D184 VanDerWaalsContact NE-OD2 3.1Å; R79-D184 IonicContact NH2-OD2 3.59Å; R79-D184 PolarHBondContact NH2-OD2 3.19Å; L124-D184 WeakPolarHBondContact CA-O 2.94Å; V125-D184 PolarHBondContact N-O 2.85Å; V125-D184 PolarHBondContact O-N 3.43Å; R127-D184 HydrophobicContact CG-CB 4.22Å
185S83.1Confident77.1Confident66 Ų6662 Ų6246%0.46232%0.323SS..EExtended strand (participates in β ladder)trans-62.1135.1176.4-67.50000111.3G187 A188S185-G187 PolarHBondContact O-N 3.43Å; S185-G187 VanDerWaalsContact O-N 3.14Å; S185-A188 WeakPolarHBondContact O-CB 3.45Å; S185-A188 PolarHBondContact O-N 3.33Å; S185-A188 VanDerWaalsContact O-N 3.15Å
186K82.6Confident76.7Confident159 Ų15959.1 Ų59.169%0.69131%0.312SS*.THydrogen-bonded Turntrans-61.7117.9174.1-174.4-178178.8-174.20109.4K123 V125K123-K186 WeakPolarHBondContact O-CB 3.18Å; K123-K186 PolarHBondContact O-N 3.05Å; V125-K186 HydrophobicContact CG1-CB 4.21Å; V125-K186 HydrophobicContact CG1-CG 4.31Å; V125-K186 HydrophobicContact CG2-CB 4.12Å
187G80Confident76.2Confident58 Ų5861 Ų6160%0.59833%0.334SS*.THydrogen-bonded Turntrans103.2-2.3179.900000114.7S185 K189S185-G187 PolarHBondContact O-N 3.43Å; S185-G187 VanDerWaalsContact O-N 3.14Å; G187-K189 PolarHBondContact O-N 3.29Å
188A77.8Confident75.7Confident24 Ų2463.6 Ų63.620%0.19835%0.345CS..  trans-53.5129.7173.500000111.2R127 S185R127-A188 PolarHBondContact NH2-O 3.28Å; S185-A188 WeakPolarHBondContact O-CB 3.45Å; S185-A188 PolarHBondContact O-N 3.33Å; S185-A188 VanDerWaalsContact O-N 3.15Å
189K74.9Confident75.1Confident212 Ų21267.1 Ų67.192%0.92236%0.361SS*.SBendtrans-73.1-38.2-177.3-69.1-175.1178.2-179.50112G187G187-K189 PolarHBondContact O-N 3.29Å
190S72.1Confident74.9Confident85 Ų8577.3 Ų77.359%0.59440%0.397SS*.  trans-134.8157.3178.259.50000110.5
191I68Low74.8Confident41 Ų4175.3 Ų75.321%0.2139%0.393CS..  trans-124.8106.7179.5-59.5155.2000106.7R127 T182R127-I191 HydrophobicContact CB-CD1 3.31Å; R127-I191 HydrophobicContact CB-CG1 4.24Å; R127-I191 HydrophobicContact CG-CD1 4.1Å; T182-I191 HydrophobicContact CG2-CG2 3.38Å
192I71.9Confident74.4Confident124 Ų12472 Ų7264%0.63638%0.383SS*.  trans-87.9129.2176.1-56.6174.8000108R79R79-I192 VanDerWaalsContact CZ-O 3.32Å; R79-I192 PolarHBondContact NH1-O 2.67Å; R79-I192 PolarHBondContact NH2-O 3.3Å
193A72.3Confident73.7Confident13 Ų1377.5 Ų77.511%0.10741%0.407CS..  trans-124.5123.616800000107.3G82 I84 I178 S195G82-A193 CarbonylContact O-C 3.56Å; G82-A193 VanDerWaalsContact O-CA 3.26Å; G82-A193 WeakPolarHBondContact O-CA 3.39Å; I84-A193 HydrophobicContact CD1-CB 3.96Å; I84-A193 HydrophobicContact CG1-CB 3.88Å; I178-A193 HydrophobicContact CG2-CB 3.87Å; A193-S195 PolarHBondContact O-N 3Å
194K70.8Confident72.7Confident108 Ų10881.9 Ų81.947%0.4743%0.434SS..  trans-63.8133.9179.9-168.3170.5-175.8175.10109.1S81 G82S81-K194 WeakPolarHBondContact O-CD 3.4Å; G82-K194 PolarHBondContact O-N 3.25Å
195S74.2Confident71.7Confident32 Ų3287.6 Ų87.622%0.22445%0.454CS..  trans-126167.7178.265.30000108.5D176 A193 G197 E199D176-S195 WeakPolarHBondContact OD2-CB 3.34Å; A193-S195 PolarHBondContact O-N 3Å; S195-G197 PolarHBondContact OG-N 3.3Å; S195-E199 WeakPolarHBondContact CB-OE1 3.44Å; S195-E199 PolarHBondContact OG-OE1 3.44Å
196T71.5Confident70.9Confident16 Ų1694.8 Ų94.810%0.09848%0.477CS..  trans-79.3-3.316463.40000111.6D176 H198 W310 M311 M324D176-T196 VanDerWaalsContact CG-N 3.3Å; D176-T196 WeakPolarHBondContact OD1-CB 3.42Å; D176-T196 WeakPolarHBondContact OD1-CG2 3.44Å; D176-T196 PolarHBondContact OD1-N 2.91Å; D176-T196 PolarHBondContact OD1-OG1 2.99Å; D176-T196 PolarHBondContact OD2-N 3.03Å; D176-T196 PolarHBondContact OD2-OG1 3.07Å; T196-H198 PolarHBondContact O-CD2 3.47Å; T196-W310 HydrophobicContact CG2-CZ3 4.29Å; T196-M311 HydrophobicContact CG2-SD 4.24Å; T196-M324 HydrophobicContact CG2-CB 4.08Å; T196-M324 HydrophobicContact CG2-CG 4.14Å; T196-M324 HydrophobicContact CG2-SD 3.75Å
197G70.1Confident70.1Confident48 Ų4897.1 Ų97.150%0.49548%0.481SS..SBendtrans85.215.3-175.300000112.9D176 S195D176-G197 PolarHBondContact OD2-N 3.12Å; D176-G197 VanDerWaalsContact OD2-N 3.11Å; S195-G197 PolarHBondContact OG-N 3.3Å
198H71.1Confident69.8Low66 Ų6699.3 Ų99.331%0.30648%0.478SS..  trans-121.232.2-173.5-72.2-66000112F175 D176 T196 R200 T201F175-H198 HydrophobicContact CB-CB 3.78Å; D176-H198 PolarHBondContact OD2-N 2.98Å; T196-H198 PolarHBondContact O-CD2 3.47Å; H198-R200 PolarHBondContact O-N 3.5Å; H198-T201 PolarHBondContact ND1-OG1 2.9Å; H198-T201 VanDerWaalsContact ND1-OG1 3.09Å; H198-T201 PolarHBondContact O-N 3.44Å
199E66.4Low69.6Low87 Ų8799 Ų9941%0.40747%0.474SS..THydrogen-bonded Turntrans-62.9-17-176.1-54.594.9151.800114.4D176 I178 S195D176-E199 HydrophobicContact CB-CB 4.38Å; D176-E199 HydrophobicContact CB-CG 4.07Å; D176-E199 PolarHBondContact OD2-N 3.17Å; I178-E199 HydrophobicContact CD1-CG 3.55Å; S195-E199 WeakPolarHBondContact CB-OE1 3.44Å; S195-E199 PolarHBondContact OG-OE1 3.44Å
200R66.8Low69.8Low222 Ų22299.1 Ų99.184%0.83847%0.474SS*.THydrogen-bonded Turntrans-119.21.1176.6-60.5-174.7-177.8-174.91.8112.8H198H198-R200 PolarHBondContact O-N 3.5Å
201T68.2Low70.3Confident52 Ų52101.3 Ų101.332%0.31948%0.475SS..  trans-86.4116.1178.3-48.90000108.2F174 F175 H198F174-T201 WeakPolarHBondContact CA-O 3.36Å; F175-T201 HydrophobicContact CD2-CG2 3.82Å; F175-T201 WeakPolarHBondContact CD2-O 3.47Å; F175-T201 HydrophobicContact CE2-CG2 4.03Å; F175-T201 PolarHBondContact N-O 3.28Å; F175-T201 VanDerWaalsContact N-O 3.09Å; H198-T201 PolarHBondContact ND1-OG1 2.9Å; H198-T201 VanDerWaalsContact ND1-OG1 3.09Å; H198-T201 PolarHBondContact O-N 3.44Å
202H71.2Confident71.1Confident74 Ų74107.3 Ų107.334%0.34351%0.508SS..BIsolated β-bridgetrans-74.6155.8170.3-57.395.5000109.7P172 F174 F175 T204P172-H202 VanDerWaalsContact CB-CD2 3.49Å; P172-H202 WeakPolarHBondContact CB-CD2 3.46Å; F174-H202 AromaticContact CD1-CD2 3.84Å; F174-H202 AromaticContact CD1-NE2 3.92Å; F174-H202 AromaticContact CE1-CD2 3.49Å; F174-H202 VanDerWaalsContact CE1-CD2 3.49Å; F174-H202 WeakPolarHBondContact CE1-CD2 3.38Å; F174-H202 AromaticContact CE1-CE1 3.65Å; F174-H202 AromaticContact CE1-NE2 3.08Å; F174-H202 WeakPolarHBondContact CE1-NE2 3.44Å; F174-H202 AromaticContact CZ-CD2 3.95Å; F174-H202 AromaticContact CZ-NE2 3.41Å; F174-H202 WeakPolarHBondContact CZ-NE2 3.43Å; F175-H202 WeakPolarHBondContact CE2-O 3.44Å; H202-T204 PolarHBondContact O-N 2.99Å
203F67Low71.8Confident120 Ų120105.1 Ų105.153%0.52649%0.494SS..  trans-57.1106.6167.5-74.2-84.7000109.4I173 F174 F175I173-F203 HydrophobicContact CB-CD2 4.11Å; I173-F203 HydrophobicContact CB-CE2 4.31Å; I173-F203 HydrophobicContact CG2-CD2 3.79Å; I173-F203 HydrophobicContact CG2-CE2 3.48Å; I173-F203 VanDerWaalsContact CG2-CE2 3.48Å; I173-F203 WeakPolarHBondContact O-CD2 3.4Å; F174-F203 WeakPolarHBondContact O-CE2 3.27Å; F175-F203 HydrophobicContact CD1-CD1 4.05Å; F175-F203 AromaticContact CD1-CE1 3.61Å; F175-F203 HydrophobicContact CD1-CE1 3.61Å; F175-F203 AromaticContact CD1-CZ 3.99Å; F175-F203 HydrophobicContact CD1-CZ 3.99Å; F175-F203 AromaticContact CE1-CD1 3.59Å; F175-F203 HydrophobicContact CE1-CD1 3.59Å; F175-F203 AromaticContact CE1-CE1 3.47Å; F175-F203 HydrophobicContact CE1-CE1 3.47Å; F175-F203 VanDerWaalsContact CE1-CE1 3.47Å; F175-F203 HydrophobicContact CE1-CZ 4.31Å; F175-F203 HydrophobicContact CE2-CD1 4.25Å; F175-F203 HydrophobicContact CE2-CG 4.5Å; F175-F203 HydrophobicContact CG-CE1 4.33Å; F175-F203 HydrophobicContact CG-CZ 4.44Å; F175-F203 AromaticContact CZ-CD1 3.7Å; F175-F203 HydrophobicContact CZ-CD1 3.7Å; F175-F203 HydrophobicContact CZ-CE1 4.09Å; F175-F203 HydrophobicContact CZ-CG 4.37Å
204T62.2Low72.5Confident92 Ų92109.1 Ų109.156%0.56452%0.518SS*.  trans-121.6125173.547.20000107H202H202-T204 PolarHBondContact O-N 2.99Å
205R64.4Low73.2Confident141 Ų141110.1 Ų110.153%0.53254%0.539SS..  trans-131.2126.8179.2-162.9-179.8162.5150.72.3107.9R207 P209R205-R207 WeakPolarHBondContact CD-O 3.48Å; R205-R207 WeakPolarHBondContact CG-O 3.29Å; R205-R207 PolarHBondContact NE-O 2.88Å; R205-R207 PolarHBondContact O-N 3.3Å; R205-P209 VanDerWaalsContact CZ-CA 3.49Å; R205-P209 VanDerWaalsContact NH1-CB 3.3Å; R205-P209 VanDerWaalsContact NH1-CG 3.27Å
206K64.4Low73.7Confident217 Ų217112.4 Ų112.494%0.94357%0.568SS**SBendtrans-68.5-19.6179.9-72.7-172.2175.3-175.80113.6
207R67.6Low74.5Confident207 Ų207114.4 Ų114.478%0.78159%0.586SS**SBendtrans-137.8145.4-175.7-64.3-174.5-177.2-177.90.7110.9R205R205-R207 WeakPolarHBondContact CD-O 3.48Å; R205-R207 WeakPolarHBondContact CG-O 3.29Å; R205-R207 PolarHBondContact NE-O 2.88Å; R205-R207 PolarHBondContact O-N 3.3Å
208M72.6Confident75.3Confident105 Ų105116 Ų11652%0.51758%0.579SS.*  trans-57.4131.6172.1-174158.4-170.800110.4F213 V219 F221M208-F213 HydrophobicContact CE-CD2 4.21Å; M208-F213 HydrophobicContact CE-CE2 3.73Å; M208-V219 HydrophobicContact CE-CB 4.31Å; M208-V219 HydrophobicContact CE-CG1 4.42Å; M208-F221 HydrophobicContact CB-CD2 4.02Å; M208-F221 HydrophobicContact CB-CE2 3.64Å; M208-F221 HydrophobicContact CB-CZ 3.99Å; M208-F221 HydrophobicContact CE-CE2 4.09Å; M208-F221 HydrophobicContact CG-CD2 4.09Å; M208-F221 HydrophobicContact CG-CE2 3.33Å; M208-F221 HydrophobicContact CG-CZ 3.83Å; M208-F221 HydrophobicContact SD-CD2 4.12Å; M208-F221 HydrophobicContact SD-CE2 3.69Å
209P73.8Confident76.1Confident18 Ų18115.1 Ų115.112%0.11758%0.578CS.*  trans-55.4138.2167.5-16.727.4000110.6R205 E211 F213 F221R205-P209 VanDerWaalsContact CZ-CA 3.49Å; R205-P209 VanDerWaalsContact NH1-CB 3.3Å; R205-P209 VanDerWaalsContact NH1-CG 3.27Å; P209-E211 HydrophobicContact CB-CB 4.13Å; P209-E211 HydrophobicContact CB-CG 4.2Å; P209-E211 PolarHBondContact O-N 2.92Å; P209-E211 VanDerWaalsContact O-N 3.11Å; P209-F213 HydrophobicContact CB-CZ 4.14Å; P209-F213 HydrophobicContact CG-CZ 3.82Å; P209-F221 HydrophobicContact CG-CZ 4.38Å
210K80Confident77Confident213 Ų213114.6 Ų114.693%0.92658%0.576SS**SBendtrans-81.935.8168.8-64.4-172.8177.1-174.90111
211E82.2Confident77.8Confident131 Ų131107.8 Ų107.861%0.61255%0.552SS**SBendtrans-102.7147.2-177.4-70.5167.9-138.800109.1P209 F213P209-E211 HydrophobicContact CB-CB 4.13Å; P209-E211 HydrophobicContact CB-CG 4.2Å; P209-E211 PolarHBondContact O-N 2.92Å; P209-E211 VanDerWaalsContact O-N 3.11Å; E211-F213 PolarHBondContact O-N 3.05Å
212N85.1Confident78.5Confident168 Ų168108.1 Ų108.190%0.89855%0.55SS**  trans-75.7108.3174.6-69.4-28.5000108.6
213F85.1Confident78.7Confident78 Ų78113.5 Ų113.534%0.34258%0.575SS.*PPolyproline II helixtrans-71.3147.8173.1-66-79.1000110.4M208 P209 E211 V219M208-F213 HydrophobicContact CE-CD2 4.21Å; M208-F213 HydrophobicContact CE-CE2 3.73Å; P209-F213 HydrophobicContact CB-CZ 4.14Å; P209-F213 HydrophobicContact CG-CZ 3.82Å; E211-F213 PolarHBondContact O-N 3.05Å; F213-V219 HydrophobicContact CB-CG2 4.15Å; F213-V219 HydrophobicContact CD1-CG2 3.67Å; F213-V219 HydrophobicContact CD2-CG2 3.81Å; F213-V219 HydrophobicContact CE1-CG1 4.33Å; F213-V219 HydrophobicContact CE1-CG2 3.93Å; F213-V219 HydrophobicContact CE2-CB 4.42Å; F213-V219 HydrophobicContact CE2-CG1 4.24Å; F213-V219 HydrophobicContact CE2-CG2 4.07Å; F213-V219 HydrophobicContact CG-CG2 3.59Å; F213-V219 HydrophobicContact CZ-CG1 3.98Å; F213-V219 HydrophobicContact CZ-CG2 4.1Å
214P87.7Confident79.1Confident96 Ų96115 Ų11562%0.62358%0.582SS**PPolyproline II helixtrans-54.1141.6177.7-25.733.8000112.3G216 A217P214-G216 PolarHBondContact O-N 2.88Å; P214-A217 WeakPolarHBondContact O-CB 3.23Å; P214-A217 PolarHBondContact O-N 3.45Å
215S85.8Confident79.5Confident129 Ų129113.2 Ų113.290%0.90258%0.581SS**THydrogen-bonded Turntrans-56.7123.1173.257.50000110
216G84.5Confident80Confident81 Ų81114.6 Ų114.684%0.83559%0.587SS**THydrogen-bonded Turntrans102.7-8.9-177.300000114.9P214P214-G216 PolarHBondContact O-N 2.88Å
217A87.4Confident80.9Confident57 Ų57106.1 Ų106.147%0.47155%0.551SS.*  trans-84.3131.3170.300000111.1P214P214-A217 WeakPolarHBondContact O-CB 3.23Å; P214-A217 PolarHBondContact O-N 3.45Å
218F87.9Confident81.8Confident83 Ų8398.6 Ų98.636%0.36453%0.526SS..  trans-98.8127.9166.5179.7-101.9000109.2H220 L234 N238 I239F218-H220 HydrophobicContact CE1-CB 3.83Å; F218-H220 HydrophobicContact CZ-CB 4.44Å; F218-L234 HydrophobicContact CE1-CB 4.04Å; F218-L234 HydrophobicContact CZ-CB 4.07Å; F218-L234 HydrophobicContact CZ-CD2 4.34Å; F218-N238 HydrophobicContact CD1-CB 4.45Å; F218-N238 HydrophobicContact CD2-CB 3.61Å; F218-N238 HydrophobicContact CE1-CB 4.44Å; F218-N238 HydrophobicContact CE2-CB 3.61Å; F218-N238 HydrophobicContact CG-CB 4.06Å; F218-N238 HydrophobicContact CZ-CB 4.04Å; F218-I239 HydrophobicContact CB-CD1 3.36Å; F218-I239 HydrophobicContact CB-CG1 4Å; F218-I239 HydrophobicContact CG-CD1 4.27Å; F218-I239 HydrophobicContact CG-CG1 4.48Å
219V87.8Confident82.7Confident47 Ų4798 Ų9829%0.28552%0.522SS..  trans-117.2127-178-170.70000109.4M208 F213 F221M208-V219 HydrophobicContact CE-CB 4.31Å; M208-V219 HydrophobicContact CE-CG1 4.42Å; F213-V219 HydrophobicContact CB-CG2 4.15Å; F213-V219 HydrophobicContact CD1-CG2 3.67Å; F213-V219 HydrophobicContact CD2-CG2 3.81Å; F213-V219 HydrophobicContact CE1-CG1 4.33Å; F213-V219 HydrophobicContact CE1-CG2 3.93Å; F213-V219 HydrophobicContact CE2-CB 4.42Å; F213-V219 HydrophobicContact CE2-CG1 4.24Å; F213-V219 HydrophobicContact CE2-CG2 4.07Å; F213-V219 HydrophobicContact CG-CG2 3.59Å; F213-V219 HydrophobicContact CZ-CG1 3.98Å; F213-V219 HydrophobicContact CZ-CG2 4.1Å; V219-F221 HydrophobicContact CG1-CD2 4.25Å; V219-F221 HydrophobicContact CG1-CE2 3.38Å; V219-F221 HydrophobicContact CG1-CZ 3.73Å
220H86.4Confident83.6Confident75 Ų75103 Ų10335%0.34754%0.544SS..  trans-131.2141.5175.5172.663.3000109.8F218 L234F218-H220 HydrophobicContact CE1-CB 3.83Å; F218-H220 HydrophobicContact CZ-CB 4.44Å; H220-L234 VanDerWaalsContact CE1-CD1 3.45Å; H220-L234 WeakPolarHBondContact CE1-CD1 3.47Å; H220-L234 VanDerWaalsContact ND1-CD1 3.29Å; H220-L234 WeakPolarHBondContact ND1-CD1 3.48Å
221F83.3Confident84.1Confident80 Ų8093 Ų9335%0.35150%0.502SS..  trans-112.9124.4179-69.4-92.4000109.3M208 P209 V219M208-F221 HydrophobicContact CB-CD2 4.02Å; M208-F221 HydrophobicContact CB-CE2 3.64Å; M208-F221 HydrophobicContact CB-CZ 3.99Å; M208-F221 HydrophobicContact CE-CE2 4.09Å; M208-F221 HydrophobicContact CG-CD2 4.09Å; M208-F221 HydrophobicContact CG-CE2 3.33Å; M208-F221 HydrophobicContact CG-CZ 3.83Å; M208-F221 HydrophobicContact SD-CD2 4.12Å; M208-F221 HydrophobicContact SD-CE2 3.69Å; P209-F221 HydrophobicContact CG-CZ 4.38Å; V219-F221 HydrophobicContact CG1-CD2 4.25Å; V219-F221 HydrophobicContact CG1-CE2 3.38Å; V219-F221 HydrophobicContact CG1-CZ 3.73Å
222H82.1Confident84.6Confident59 Ų5986.9 Ų86.927%0.27347%0.473SS..  trans-114.7132.4172-178.6-86.2000109.2K224 G225 W226 D228H222-K224 VanDerWaalsContact C-N 3.27Å; H222-K224 PolarHBondContact ND1-N 3.49Å; H222-K224 VanDerWaalsContact ND1-N 3.16Å; H222-K224 PolarHBondContact O-N 3.38Å; H222-G225 PolarHBondContact ND1-N 3.46Å; H222-G225 PolarHBondContact O-N 3.15Å; H222-G225 VanDerWaalsContact O-N 3.08Å; H222-W226 VanDerWaalsContact CG-O 3.27Å; H222-W226 PolarHBondContact ND1-N 3.16Å; H222-W226 PolarHBondContact ND1-O 3.38Å; H222-D228 IonicContact CD2-OD1 3.39Å; H222-D228 IonicContact CD2-OD2 2.66Å; H222-D228 PolarHBondContact CD2-OD2 3.15Å; H222-D228 IonicContact NE2-OD2 3.1Å; H222-D228 PolarHBondContact NE2-OD2 3.01Å
223E76.2Confident85Confident186 Ų18685.4 Ų85.487%0.86946%0.455SS*.THydrogen-bonded Turntrans-55.5-40.4-172-173.3-177.5-170.400113
224K74.3Confident85.4Confident153 Ų15383.9 Ų83.967%0.66545%0.45SS*.THydrogen-bonded Turntrans-96.8-1.4-178-54.3-179.4178.7174.30114.2H222 W226H222-K224 VanDerWaalsContact C-N 3.27Å; H222-K224 PolarHBondContact ND1-N 3.49Å; H222-K224 VanDerWaalsContact ND1-N 3.16Å; H222-K224 PolarHBondContact O-N 3.38Å; K224-W226 PolarHBondContact O-N 2.9Å; K224-W226 PolarHBondContact O-NE1 3.14Å
225G71.6Confident85.7Confident53 Ų5381.7 Ų81.755%0.54643%0.429SS..SBendtrans66.530.2-179.400000115.9H222H222-G225 PolarHBondContact ND1-N 3.46Å; H222-G225 PolarHBondContact O-N 3.15Å; H222-G225 VanDerWaalsContact O-N 3.08Å
226W73.4Confident86.1Confident171 Ų17175.5 Ų75.565%0.64839%0.386SS*.SBendtrans-121.3155.6174.5-63.394.8000109.8H222 K224 D228H222-W226 VanDerWaalsContact CG-O 3.27Å; H222-W226 PolarHBondContact ND1-N 3.16Å; H222-W226 PolarHBondContact ND1-O 3.38Å; K224-W226 PolarHBondContact O-N 2.9Å; K224-W226 PolarHBondContact O-NE1 3.14Å; W226-D228 PolarHBondContact O-N 3.18Å
227M83.4Confident86.4Confident38 Ų3873.3 Ų73.319%0.18736%0.355CS..  trans-76.9111.2174.2-174.665135.400110.2M168 E170 A232 W235 F258 S260M168-M227 HydrophobicContact CE-CE 3.36Å; E170-M227 HydrophobicContact CG-CB 4.44Å; E170-M227 WeakPolarHBondContact OE1-CB 3.27Å; E170-M227 VanDerWaalsContact OE1-CG 3.22Å; E170-M227 WeakPolarHBondContact OE1-CG 3.49Å; M227-A232 VanDerWaalsContact CE-CA 3.42Å; M227-A232 HydrophobicContact CE-CB 4.07Å; M227-A232 HydrophobicContact CG-CB 4.48Å; M227-A232 HydrophobicContact SD-CB 4.47Å; M227-A232 PolarHBondContact SD-N 2.92Å; M227-W235 HydrophobicContact CE-CB 4.15Å; M227-F258 HydrophobicContact CB-CE1 4.35Å; M227-F258 VanDerWaalsContact O-CE1 3.31Å; M227-F258 WeakPolarHBondContact O-CE1 3.45Å; M227-S260 PolarHBondContact O-OG 3.3Å
228D87.9Confident86.6Confident50 Ų5072.7 Ų72.727%0.26734%0.344SS..  trans-98.1-177.2172.169-11.5000111.1H222 W226 Q230 G231 A232H222-D228 IonicContact CD2-OD1 3.39Å; H222-D228 IonicContact CD2-OD2 2.66Å; H222-D228 PolarHBondContact CD2-OD2 3.15Å; H222-D228 IonicContact NE2-OD2 3.1Å; H222-D228 PolarHBondContact NE2-OD2 3.01Å; W226-D228 PolarHBondContact O-N 3.18Å; D228-Q230 VanDerWaalsContact C-N 3.26Å; D228-Q230 PolarHBondContact O-N 2.72Å; D228-Q230 PolarHBondContact OD1-N 3.43Å; D228-G231 PolarHBondContact O-N 3.39Å; D228-G231 PolarHBondContact OD1-N 3.44Å; D228-A232 WeakPolarHBondContact O-CB 3.2Å; D228-A232 PolarHBondContact O-N 2.98Å
229E90.8Very high86.8Confident91 Ų9171.7 Ų71.743%0.42534%0.342SS..Hα-helixtrans-63.4-34.6178-63.6177.5-155.800111.4R233 A263 I266E229-R233 WeakPolarHBondContact O-CB 3.45Å; E229-R233 PolarHBondContact O-N 3.48Å; E229-A263 HydrophobicContact CG-CB 3.84Å; E229-A263 WeakPolarHBondContact OE1-CB 3.11Å; E229-I266 HydrophobicContact CB-CD1 4.47Å; E229-I266 HydrophobicContact CB-CG1 4.32Å; E229-I266 HydrophobicContact CG-CG1 4.43Å; E229-I266 WeakPolarHBondContact O-CD1 3.5Å
230Q92.2Very high86.9Confident124 Ų12470.4 Ų70.458%0.57933%0.332SS*.Hα-helixtrans-66.3-46.5176.4-174.4178.414.600111.5D228 A232 R233 L234D228-Q230 VanDerWaalsContact C-N 3.26Å; D228-Q230 PolarHBondContact O-N 2.72Å; D228-Q230 PolarHBondContact OD1-N 3.43Å; Q230-A232 PolarHBondContact O-N 2.96Å; Q230-R233 PolarHBondContact O-N 3.19Å; Q230-L234 HydrophobicContact CG-CD1 4.24Å; Q230-L234 WeakPolarHBondContact O-CB 3.42Å; Q230-L234 WeakPolarHBondContact O-CG 3.44Å; Q230-L234 PolarHBondContact O-N 3.41Å
231G91.7Very high87.1Confident4 Ų470.6 Ų70.64%0.04133%0.329CS..Hα-helixtrans-59.9-44.2176.300000112.1D228 R233 L234 W235D228-G231 PolarHBondContact O-N 3.39Å; D228-G231 PolarHBondContact OD1-N 3.44Å; G231-R233 VanDerWaalsContact C-N 3.34Å; G231-R233 PolarHBondContact O-N 3.07Å; G231-L234 PolarHBondContact O-N 3.34Å; G231-W235 PolarHBondContact O-N 3.3Å
232A92.1Very high87.3Confident1 Ų173.1 Ų73.11%0.00834%0.34CS..Hα-helixtrans-59.9-45175.100000111.5M227 D228 Q230 W235 I236 I266M227-A232 VanDerWaalsContact CE-CA 3.42Å; M227-A232 HydrophobicContact CE-CB 4.07Å; M227-A232 HydrophobicContact CG-CB 4.48Å; M227-A232 HydrophobicContact SD-CB 4.47Å; M227-A232 PolarHBondContact SD-N 2.92Å; D228-A232 WeakPolarHBondContact O-CB 3.2Å; D228-A232 PolarHBondContact O-N 2.98Å; Q230-A232 PolarHBondContact O-N 2.96Å; A232-W235 PolarHBondContact O-N 2.62Å; A232-I236 VanDerWaalsContact O-CG1 3.28Å; A232-I236 WeakPolarHBondContact O-CG1 3.46Å; A232-I236 PolarHBondContact O-N 2.85Å; A232-I266 HydrophobicContact CB-CD1 4.05Å; A232-I266 HydrophobicContact CB-CG1 4.33Å
233R94.1Very high87.5Confident137 Ų13772.5 Ų72.552%0.51734%0.336SS..Hα-helixtrans-62.9-45.2175.9-175.1174.3-178.7178.7-0.1112.5E229 Q230 G231 W235 I236 D237 I266E229-R233 WeakPolarHBondContact O-CB 3.45Å; E229-R233 PolarHBondContact O-N 3.48Å; Q230-R233 PolarHBondContact O-N 3.19Å; G231-R233 VanDerWaalsContact C-N 3.34Å; G231-R233 PolarHBondContact O-N 3.07Å; R233-W235 VanDerWaalsContact C-N 3.29Å; R233-W235 PolarHBondContact O-N 2.84Å; R233-I236 PolarHBondContact O-N 3.28Å; R233-D237 IonicContact NE-OD2 2.71Å; R233-D237 PolarHBondContact O-N 2.8Å; R233-I266 HydrophobicContact CB-CD1 4.15Å
234L94.1Very high87.7Confident47 Ų4769.3 Ų69.325%0.24633%0.331CS..Hα-helixtrans-59.4-41.7177.2-75.3172.4000111.6F218 H220 Q230 G231 N238F218-L234 HydrophobicContact CE1-CB 4.04Å; F218-L234 HydrophobicContact CZ-CB 4.07Å; F218-L234 HydrophobicContact CZ-CD2 4.34Å; H220-L234 VanDerWaalsContact CE1-CD1 3.45Å; H220-L234 WeakPolarHBondContact CE1-CD1 3.47Å; H220-L234 VanDerWaalsContact ND1-CD1 3.29Å; H220-L234 WeakPolarHBondContact ND1-CD1 3.48Å; Q230-L234 HydrophobicContact CG-CD1 4.24Å; Q230-L234 WeakPolarHBondContact O-CB 3.42Å; Q230-L234 WeakPolarHBondContact O-CG 3.44Å; Q230-L234 PolarHBondContact O-N 3.41Å; G231-L234 PolarHBondContact O-N 3.34Å; L234-N238 VanDerWaalsContact O-CB 3.27Å; L234-N238 WeakPolarHBondContact O-CB 3Å; L234-N238 PolarHBondContact O-N 3.31Å; L234-N238 PolarHBondContact O-ND2 3.4Å
235W93.5Very high87.7Confident49 Ų4965.9 Ų65.919%0.18634%0.339CS..Hα-helixtrans-63.5-46.3175-178.691.4000111.7M168 M227 G231 A232 R233 D237 I239 W240 L253M168-W235 HydrophobicContact CB-CH2 3.58Å; M168-W235 HydrophobicContact CB-CZ2 3.7Å; M168-W235 HydrophobicContact CB-CZ3 4.08Å; M168-W235 HydrophobicContact CG-CD2 3.99Å; M168-W235 HydrophobicContact CG-CE3 4.13Å; M168-W235 HydrophobicContact CG-CH2 3.77Å; M168-W235 HydrophobicContact CG-CZ2 3.56Å; M168-W235 HydrophobicContact CG-CZ3 4.03Å; M227-W235 HydrophobicContact CE-CB 4.15Å; G231-W235 PolarHBondContact O-N 3.3Å; A232-W235 PolarHBondContact O-N 2.62Å; R233-W235 VanDerWaalsContact C-N 3.29Å; R233-W235 PolarHBondContact O-N 2.84Å; W235-D237 PolarHBondContact O-N 2.91Å; W235-I239 HydrophobicContact CG-CB 4.38Å; W235-I239 HydrophobicContact CZ2-CG2 4.3Å; W235-I239 WeakPolarHBondContact O-CA 3.17Å; W235-I239 VanDerWaalsContact O-CB 3.28Å; W235-I239 WeakPolarHBondContact O-CB 3.48Å; W235-I239 PolarHBondContact O-N 3.28Å; W235-W240 HydrophobicContact CE3-CB 4.31Å; W235-W240 HydrophobicContact CH2-CB 3.9Å; W235-W240 HydrophobicContact CH2-CD2 4.15Å; W235-W240 AromaticContact CH2-CE3 3.9Å; W235-W240 HydrophobicContact CH2-CE3 3.9Å; W235-W240 HydrophobicContact CH2-CG 4.21Å; W235-W240 HydrophobicContact CZ3-CB 3.74Å; W235-W240 HydrophobicContact CZ3-CG 4.19Å; W235-W240 PolarHBondContact O-N 3.2Å; W235-W240 VanDerWaalsContact O-N 3.15Å; W235-L253 HydrophobicContact CH2-CD1 3.8Å; W235-L253 HydrophobicContact CH2-CD2 4.46Å; W235-L253 HydrophobicContact CZ3-CD1 4.02Å; W235-L253 HydrophobicContact CZ3-CD2 3.83Å
236I92.7Very high87.7Confident0 Ų066.8 Ų66.80%033%0.329CS..Iπ-helixtrans-57.6-49.7177.2-68.1162000110.3A232 R233 W240 R241 W255 I266 L270 M275A232-I236 VanDerWaalsContact O-CG1 3.28Å; A232-I236 WeakPolarHBondContact O-CG1 3.46Å; A232-I236 PolarHBondContact O-N 2.85Å; R233-I236 PolarHBondContact O-N 3.28Å; I236-W240 PolarHBondContact O-N 2.8Å; I236-R241 HydrophobicContact CG2-CG 4.29Å; I236-R241 WeakPolarHBondContact O-CB 3.36Å; I236-R241 WeakPolarHBondContact O-CG 3.46Å; I236-R241 PolarHBondContact O-N 3.25Å; I236-W255 HydrophobicContact CD1-CH2 4.37Å; I236-I266 HydrophobicContact CD1-CG2 4.3Å; I236-L270 HydrophobicContact CD1-CD2 3.72Å; I236-L270 HydrophobicContact CD1-CG 4.05Å; I236-L270 HydrophobicContact CG1-CD2 4.27Å; I236-M275 HydrophobicContact CG2-CE 4.5Å; I236-M275 HydrophobicContact CG2-SD 4.02Å
237D92.4Very high87.2Confident34 Ų3462.2 Ų62.218%0.18232%0.323CS..Iπ-helixtrans-77.7-29.6-171.9-71.7-31000113.8R233 W235 R241 H269R233-D237 IonicContact NE-OD2 2.71Å; R233-D237 PolarHBondContact O-N 2.8Å; W235-D237 PolarHBondContact O-N 2.91Å; D237-R241 WeakPolarHBondContact OD1-CD 3.4Å; D237-R241 IonicContact OD1-CZ 3.83Å; D237-R241 IonicContact OD1-NH1 2.97Å; D237-R241 PolarHBondContact OD1-NH1 2.79Å; D237-H269 VanDerWaalsContact CG-NE2 3.34Å; D237-H269 IonicContact OD1-CE1 3.49Å; D237-H269 PolarHBondContact OD1-CE1 3.32Å; D237-H269 IonicContact OD1-NE2 2.94Å; D237-H269 PolarHBondContact OD1-NE2 3.24Å; D237-H269 IonicContact OD2-CE1 3.4Å; D237-H269 PolarHBondContact OD2-CE1 3.04Å; D237-H269 IonicContact OD2-NE2 3.1Å; D237-H269 PolarHBondContact OD2-NE2 3.36Å; D237-H269 VanDerWaalsContact OD2-NE2 3.1Å
238N91.4Very high86.5Confident44 Ų4465.3 Ų65.324%0.23534%0.341CS..Iπ-helixtrans-104.2-24.6-176.1-66-73.6000114.8F218 L234 K242F218-N238 HydrophobicContact CD1-CB 4.45Å; F218-N238 HydrophobicContact CD2-CB 3.61Å; F218-N238 HydrophobicContact CE1-CB 4.44Å; F218-N238 HydrophobicContact CE2-CB 3.61Å; F218-N238 HydrophobicContact CG-CB 4.06Å; F218-N238 HydrophobicContact CZ-CB 4.04Å; L234-N238 VanDerWaalsContact O-CB 3.27Å; L234-N238 WeakPolarHBondContact O-CB 3Å; L234-N238 PolarHBondContact O-N 3.31Å; L234-N238 PolarHBondContact O-ND2 3.4Å; N238-K242 PolarHBondContact OD1-NZ 2.95Å
239I90.7Very high86.1Confident62 Ų6264.8 Ų64.832%0.31834%0.341SS..Iπ-helixtrans-107.4-62179.6-62.2-56.7000110.3F218 W235F218-I239 HydrophobicContact CB-CD1 3.36Å; F218-I239 HydrophobicContact CB-CG1 4Å; F218-I239 HydrophobicContact CG-CD1 4.27Å; F218-I239 HydrophobicContact CG-CG1 4.48Å; W235-I239 HydrophobicContact CG-CB 4.38Å; W235-I239 HydrophobicContact CZ2-CG2 4.3Å; W235-I239 WeakPolarHBondContact O-CA 3.17Å; W235-I239 VanDerWaalsContact O-CB 3.28Å; W235-I239 WeakPolarHBondContact O-CB 3.48Å; W235-I239 PolarHBondContact O-N 3.28Å
240W90.8Very high86Confident20 Ų2066.9 Ų66.98%0.07635%0.345CS..Iπ-helixtrans-64.2-58.4-173.9-169.5-103.9000109.9G166 W235 I236 K242 R243 S251 L253 M275G166-W240 VanDerWaalsContact CA-CZ3 3.43Å; G166-W240 VanDerWaalsContact N-CH2 3.31Å; W235-W240 HydrophobicContact CE3-CB 4.31Å; W235-W240 HydrophobicContact CH2-CB 3.9Å; W235-W240 HydrophobicContact CH2-CD2 4.15Å; W235-W240 AromaticContact CH2-CE3 3.9Å; W235-W240 HydrophobicContact CH2-CE3 3.9Å; W235-W240 HydrophobicContact CH2-CG 4.21Å; W235-W240 HydrophobicContact CZ3-CB 3.74Å; W235-W240 HydrophobicContact CZ3-CG 4.19Å; W235-W240 PolarHBondContact O-N 3.2Å; W235-W240 VanDerWaalsContact O-N 3.15Å; I236-W240 PolarHBondContact O-N 2.8Å; W240-K242 PolarHBondContact O-N 3.09Å; W240-K242 VanDerWaalsContact O-N 3.09Å; W240-R243 VanDerWaalsContact CD1-NH1 3.32Å; W240-R243 VanDerWaalsContact CE2-CZ 3.42Å; W240-R243 VanDerWaalsContact O-CG 3.26Å; W240-R243 WeakPolarHBondContact O-CG 3.38Å; W240-R243 PolarHBondContact O-N 3.15Å; W240-R243 PolarHBondContact O-NH1 3.29Å; W240-S251 PolarHBondContact NE1-OG 2.92Å; W240-L253 HydrophobicContact CD2-CD1 4.43Å; W240-M275 HydrophobicContact CG-CE 4.06Å
241R90.2Very high86Confident79 Ų7961.1 Ų61.130%0.29832%0.318SS..THydrogen-bonded Turntrans-66.1-20.6-174.1-69.4179.362.9-149-2.8115I236 D237 S247 N248I236-R241 HydrophobicContact CG2-CG 4.29Å; I236-R241 WeakPolarHBondContact O-CB 3.36Å; I236-R241 WeakPolarHBondContact O-CG 3.46Å; I236-R241 PolarHBondContact O-N 3.25Å; D237-R241 WeakPolarHBondContact OD1-CD 3.4Å; D237-R241 IonicContact OD1-CZ 3.83Å; D237-R241 IonicContact OD1-NH1 2.97Å; D237-R241 PolarHBondContact OD1-NH1 2.79Å; R241-S247 WeakPolarHBondContact O-CA 3.22Å; R241-S247 PolarHBondContact O-OG 3.12Å; R241-N248 PolarHBondContact NH2-OD1 2.95Å; R241-N248 VanDerWaalsContact NH2-OD1 3.1Å
242K87.3Confident86.1Confident133 Ų13361 Ų6158%0.57832%0.316SS*.THydrogen-bonded Turntrans-93.110-179-64.5-174-178.8169.70114.1N238 W240N238-K242 PolarHBondContact OD1-NZ 2.95Å; W240-K242 PolarHBondContact O-N 3.09Å; W240-K242 VanDerWaalsContact O-N 3.09Å
243R86.9Confident86.1Confident46 Ų4660.9 Ų60.917%0.17432%0.316CS..  trans-58.3133.9176.2-72-173.7-35.7-80.112.2111.4W240 G245 H246W240-R243 VanDerWaalsContact CD1-NH1 3.32Å; W240-R243 VanDerWaalsContact CE2-CZ 3.42Å; W240-R243 VanDerWaalsContact O-CG 3.26Å; W240-R243 WeakPolarHBondContact O-CG 3.38Å; W240-R243 PolarHBondContact O-N 3.15Å; W240-R243 PolarHBondContact O-NH1 3.29Å; R243-G245 PolarHBondContact O-N 3.42Å; R243-H246 PolarHBondContact O-N 3.39Å
244P79.5Confident86.1Confident120 Ų12055 Ų5578%0.77930%0.295SS*.THydrogen-bonded Turntrans-53.9135.4174.2-25.934.3000112.1H246P244-H246 PolarHBondContact O-N 3.22Å; P244-H246 PolarHBondContact O-ND1 2.82Å
245G74.4Confident85.9Confident81 Ų8152.9 Ų52.984%0.83528%0.284SS*.THydrogen-bonded Turntrans75.3-6.4175.600000116.6R243R243-G245 PolarHBondContact O-N 3.42Å
246H72.8Confident85.6Confident71 Ų7150.9 Ų50.933%0.32928%0.277SS..THydrogen-bonded Turntrans-132.810.2-170.9-56.691.2000114.1N164 R243 P244 N248 S249N164-H246 PolarHBondContact OD1-CD2 3.03Å; R243-H246 PolarHBondContact O-N 3.39Å; P244-H246 PolarHBondContact O-N 3.22Å; P244-H246 PolarHBondContact O-ND1 2.82Å; H246-N248 PolarHBondContact O-N 2.6Å; H246-S249 PolarHBondContact O-N 3.23Å; H246-S249 PolarHBondContact O-OG 3.47Å
247S63.3Low85.2Confident75 Ų7554 Ų5452%0.52430%0.299SS..THydrogen-bonded Turntrans-55126.6178-1730000110.9R241 S249R241-S247 WeakPolarHBondContact O-CA 3.22Å; R241-S247 PolarHBondContact O-OG 3.12Å; S247-S249 VanDerWaalsContact C-N 3.25Å; S247-S249 PolarHBondContact O-N 2.96Å
248N68.1Low84.7Confident104 Ų10456 Ų5656%0.55631%0.306SS*.THydrogen-bonded Turntrans63.111.8179.2-58.5-37.3000117.6R241 H246R241-N248 PolarHBondContact NH2-OD1 2.95Å; R241-N248 VanDerWaalsContact NH2-OD1 3.1Å; H246-N248 PolarHBondContact O-N 2.6Å
249S79.8Confident84.3Confident39 Ų3964.1 Ų64.127%0.27333%0.334SS..  trans-77.9151.7173.961.70000112N164 H246 S247 S251N164-S249 VanDerWaalsContact ND2-CB 3.29Å; N164-S249 WeakPolarHBondContact ND2-CB 3.41Å; N164-S249 PolarHBondContact ND2-OG 2.75Å; N164-S249 PolarHBondContact OD1-OG 2.91Å; H246-S249 PolarHBondContact O-N 3.23Å; H246-S249 PolarHBondContact O-OG 3.47Å; S247-S249 VanDerWaalsContact C-N 3.25Å; S247-S249 PolarHBondContact O-N 2.96Å; S249-S251 PolarHBondContact O-N 3.16Å
250R88.8Confident84Confident135 Ų13561.5 Ų61.551%0.50932%0.321SS..  trans-57.5126.7173.7-76.417973.2172.93.2108.9N158 F160 N164 K274N158-R250 PolarHBondContact OD1-NH2 3.07Å; F160-R250 HydrophobicContact CD1-CB 4.22Å; F160-R250 WeakPolarHBondContact CD1-O 3.46Å; F160-R250 HydrophobicContact CE1-CB 3.97Å; N164-R250 PolarHBondContact ND2-O 3.4Å; R250-K274 HydrophobicContact CG-CB 4.35Å
251S91.8Very high83.7Confident3 Ų360.6 Ų60.62%0.02132%0.317CS..EExtended strand (participates in β ladder)trans-138.1155.1-173.675.20000112.5N164 W240 S249 M275 K276N164-S251 WeakPolarHBondContact O-CA 3.25Å; N164-S251 WeakPolarHBondContact O-CB 3.33Å; W240-S251 PolarHBondContact NE1-OG 2.92Å; S249-S251 PolarHBondContact O-N 3.16Å; S251-M275 WeakPolarHBondContact O-CA 3.48Å; S251-M275 WeakPolarHBondContact OG-CG 3.32Å; S251-K276 PolarHBondContact O-N 3.47Å
252L93.4Very high83.6Confident0 Ų058.9 Ų58.90%032%0.316CS..EExtended strand (participates in β ladder)trans-111.6121173.3175.861.3000109V151 L154 T155 F160 N164 I165 G166 V254 K276 A278V151-L252 HydrophobicContact CG1-CD2 4.39Å; L154-L252 HydrophobicContact CB-CD2 4.47Å; L154-L252 HydrophobicContact CD1-CD1 3.99Å; T155-L252 HydrophobicContact CG2-CD2 3.97Å; F160-L252 HydrophobicContact CD2-CB 3.85Å; F160-L252 HydrophobicContact CD2-CD2 4.45Å; F160-L252 HydrophobicContact CE2-CB 3.85Å; F160-L252 HydrophobicContact CG-CB 4.32Å; F160-L252 HydrophobicContact CZ-CB 4.31Å; N164-L252 PolarHBondContact O-N 3.27Å; I165-L252 CarbonylContact C-O 3.53Å; I165-L252 WeakPolarHBondContact CA-O 3.41Å; I165-L252 HydrophobicContact CG1-CB 4.36Å; I165-L252 HydrophobicContact CG2-CB 4.5Å; I165-L252 HydrophobicContact CG2-CD2 4.28Å; I165-L252 HydrophobicContact CG2-CG 4.48Å; G166-L252 PolarHBondContact N-O 3.08Å; L252-V254 HydrophobicContact CD2-CG2 4.36Å; L252-V254 HydrophobicContact CG-CG2 4.15Å; L252-K276 CarbonylContact C-O 3.21Å; L252-K276 WeakPolarHBondContact CA-O 3.37Å; L252-K276 HydrophobicContact CD1-CB 4.03Å; L252-A278 HydrophobicContact CD1-CB 4.31Å
253L93.1Very high83.7Confident0 Ų053.2 Ų53.20%029%0.293CS..EExtended strand (participates in β ladder)trans-102.5122.2172.5-175.564.6000110M168 W235 W240 W255 L270 M275 K276 T277 A278M168-L253 HydrophobicContact CB-CD1 4.13Å; W235-L253 HydrophobicContact CH2-CD1 3.8Å; W235-L253 HydrophobicContact CH2-CD2 4.46Å; W235-L253 HydrophobicContact CZ3-CD1 4.02Å; W235-L253 HydrophobicContact CZ3-CD2 3.83Å; W240-L253 HydrophobicContact CD2-CD1 4.43Å; L253-W255 HydrophobicContact CD2-CD2 3.88Å; L253-W255 HydrophobicContact CD2-CE3 3.58Å; L253-W255 HydrophobicContact CD2-CH2 3.98Å; L253-W255 HydrophobicContact CD2-CZ2 4.28Å; L253-W255 HydrophobicContact CD2-CZ3 3.64Å; L253-W255 HydrophobicContact CG-CD2 4.21Å; L253-W255 HydrophobicContact CG-CE3 4.28Å; L253-W255 HydrophobicContact CG-CG 4.49Å; L253-L270 HydrophobicContact CD2-CD2 4.43Å; L253-M275 HydrophobicContact CB-CE 4.28Å; L253-M275 HydrophobicContact CD2-CE 4.42Å; L253-K276 PolarHBondContact N-O 2.93Å; L253-T277 HydrophobicContact CB-CG2 4.37Å; L253-T277 CarbonylContact O-C 3.39Å; L253-T277 WeakPolarHBondContact O-CA 3.27Å; L253-A278 PolarHBondContact O-N 3.46Å
254V92.7Very high84Confident13 Ų1357 Ų578%0.07931%0.313CS..EExtended strand (participates in β ladder)trans-106.3122.9176.4-167.10000108.9F147 I165 G166 N167 M168 L252 A278 F280F147-V254 HydrophobicContact CZ-CG1 3.79Å; I165-V254 HydrophobicContact CG2-CG2 4.34Å; G166-V254 PolarHBondContact O-N 2.76Å; N167-V254 VanDerWaalsContact CA-O 3.31Å; N167-V254 WeakPolarHBondContact CA-O 3.18Å; N167-V254 PolarHBondContact ND2-O 3.43Å; M168-V254 PolarHBondContact N-O 3.3Å; L252-V254 HydrophobicContact CD2-CG2 4.36Å; L252-V254 HydrophobicContact CG-CG2 4.15Å; V254-A278 WeakPolarHBondContact CA-O 3.45Å; V254-A278 HydrophobicContact CG1-CB 4.25Å; V254-A278 HydrophobicContact CG2-CB 4.27Å; V254-F280 HydrophobicContact CB-CZ 4.44Å; V254-F280 HydrophobicContact CG1-CD1 4.41Å; V254-F280 HydrophobicContact CG1-CE1 3.7Å; V254-F280 HydrophobicContact CG1-CE2 3.88Å; V254-F280 HydrophobicContact CG1-CZ 3.39Å
255W91Very high84.7Confident2 Ų254 Ų541%0.00830%0.299CS..EExtended strand (participates in β ladder)trans-154.3179.2-175.956.75.5000111.2M168 I236 L253 H261 I266 L270 T277 A278 V279 F280M168-W255 HydrophobicContact SD-CE3 4.22Å; I236-W255 HydrophobicContact CD1-CH2 4.37Å; L253-W255 HydrophobicContact CD2-CD2 3.88Å; L253-W255 HydrophobicContact CD2-CE3 3.58Å; L253-W255 HydrophobicContact CD2-CH2 3.98Å; L253-W255 HydrophobicContact CD2-CZ2 4.28Å; L253-W255 HydrophobicContact CD2-CZ3 3.64Å; L253-W255 HydrophobicContact CG-CD2 4.21Å; L253-W255 HydrophobicContact CG-CE3 4.28Å; L253-W255 HydrophobicContact CG-CG 4.49Å; W255-H261 HydrophobicContact CD2-CB 3.82Å; W255-H261 HydrophobicContact CE3-CB 3.92Å; W255-H261 AromaticContact CE3-CD2 3.85Å; W255-H261 AromaticContact CE3-CG 3.71Å; W255-H261 HydrophobicContact CG-CB 4.45Å; W255-H261 HydrophobicContact CH2-CB 4.04Å; W255-H261 HydrophobicContact CZ2-CB 3.91Å; W255-H261 WeakPolarHBondContact CZ2-O 3.49Å; W255-H261 HydrophobicContact CZ3-CB 4.03Å; W255-H261 AromaticContact CZ3-CD2 3.74Å; W255-H261 AromaticContact CZ3-CG 3.94Å; W255-I266 HydrophobicContact CH2-CG2 3.57Å; W255-I266 HydrophobicContact CZ2-CG2 4.03Å; W255-L270 HydrophobicContact CH2-CD1 3.89Å; W255-L270 HydrophobicContact CZ2-CD1 3.66Å; W255-T277 HydrophobicContact CZ2-CG2 4.02Å; W255-A278 PolarHBondContact N-O 2.93Å; W255-A278 VanDerWaalsContact N-O 3.09Å; W255-V279 CarbonylContact O-C 3.55Å; W255-V279 WeakPolarHBondContact O-CA 3.46Å; W255-F280 VanDerWaalsContact C-CD2 3.48Å; W255-F280 WeakPolarHBondContact O-CD2 3.36Å; W255-F280 PolarHBondContact O-N 3.45Å
256D86Confident85.6Confident7 Ų750.4 Ų50.44%0.03726%0.26CS..  trans-81.2174.2-178.275.37000113.3F258 H261 R285D256-F258 PolarHBondContact O-N 3.13Å; D256-F258 WeakPolarHBondContact OD1-CB 3.04Å; D256-F258 PolarHBondContact OD1-N 3.4Å; D256-H261 IonicContact OD1-CE1 3.79Å; D256-H261 IonicContact OD1-ND1 3.49Å; D256-H261 PolarHBondContact OD1-ND1 3.48Å; D256-R285 IonicContact OD2-CZ 3.5Å; D256-R285 IonicContact OD2-NE 3.38Å; D256-R285 IonicContact OD2-NH1 2.7Å; D256-R285 PolarHBondContact OD2-NH1 3.4Å; D256-R285 IonicContact OD2-NH2 3.97Å; D256-R285 PolarHBondContact OD2-NH2 3.38Å
257S84.8Confident86.6Confident67 Ų6750.6 Ų50.647%0.46926%0.26SS..  trans-8626.8179.470.30000113V279S257-V279 VanDerWaalsContact CA-CG1 3.45Å; S257-V279 VanDerWaalsContact CB-CG1 3.48Å
258F82.8Confident88Confident76 Ų7649.7 Ų49.733%0.33325%0.254SS..  trans-65.3144.5179.4-173-112.8000110.8M227 D256 S260 H261 V262M227-F258 HydrophobicContact CB-CE1 4.35Å; M227-F258 VanDerWaalsContact O-CE1 3.31Å; M227-F258 WeakPolarHBondContact O-CE1 3.45Å; D256-F258 PolarHBondContact O-N 3.13Å; D256-F258 WeakPolarHBondContact OD1-CB 3.04Å; D256-F258 PolarHBondContact OD1-N 3.4Å; F258-S260 VanDerWaalsContact C-N 3.31Å; F258-S260 WeakPolarHBondContact CD1-OG 3.32Å; F258-S260 WeakPolarHBondContact CE1-OG 3.41Å; F258-S260 PolarHBondContact O-N 2.98Å; F258-H261 WeakPolarHBondContact O-CB 3.5Å; F258-H261 PolarHBondContact O-N 3.4Å; F258-V262 PolarHBondContact O-N 3.39Å
259R82.9Confident89.3Confident214 Ų21445.9 Ų45.981%0.80823%0.233SC*.THydrogen-bonded Turntrans-56.3-41.6-164-173.8-179.8177.8-175.9-0.1113.3V262 A263R259-V262 PolarHBondContact O-N 3.37Å; R259-A263 PolarHBondContact O-N 3.37Å; R259-A263 VanDerWaalsContact O-N 3.16Å
260S83.5Confident89.9Confident7 Ų744.1 Ų44.15%0.04922%0.22CC..THydrogen-bonded Turntrans-69.1-32.5178.952.10000112.6M227 F258 V262 I266M227-S260 PolarHBondContact O-OG 3.3Å; F258-S260 VanDerWaalsContact C-N 3.31Å; F258-S260 WeakPolarHBondContact CD1-OG 3.32Å; F258-S260 WeakPolarHBondContact CE1-OG 3.41Å; F258-S260 PolarHBondContact O-N 2.98Å; S260-V262 VanDerWaalsContact C-N 3.35Å; S260-I266 WeakPolarHBondContact O-CG1 3.45Å
261H85.1Confident90Very high1 Ų142.5 Ų42.51%0.00522%0.222CC..THydrogen-bonded Turntrans-69.1-33.4177.7-59.5158.5000112.6E170 W255 D256 F258 I266E170-H261 IonicContact OE1-CE1 3.2Å; E170-H261 PolarHBondContact OE1-CE1 3.38Å; E170-H261 IonicContact OE1-NE2 2.9Å; E170-H261 PolarHBondContact OE1-NE2 2.96Å; E170-H261 VanDerWaalsContact OE1-NE2 3.13Å; E170-H261 IonicContact OE2-CE1 2.8Å; W255-H261 HydrophobicContact CD2-CB 3.82Å; W255-H261 HydrophobicContact CE3-CB 3.92Å; W255-H261 AromaticContact CE3-CD2 3.85Å; W255-H261 AromaticContact CE3-CG 3.71Å; W255-H261 HydrophobicContact CG-CB 4.45Å; W255-H261 HydrophobicContact CH2-CB 4.04Å; W255-H261 HydrophobicContact CZ2-CB 3.91Å; W255-H261 WeakPolarHBondContact CZ2-O 3.49Å; W255-H261 HydrophobicContact CZ3-CB 4.03Å; W255-H261 AromaticContact CZ3-CD2 3.74Å; W255-H261 AromaticContact CZ3-CG 3.94Å; D256-H261 IonicContact OD1-CE1 3.79Å; D256-H261 IonicContact OD1-ND1 3.49Å; D256-H261 PolarHBondContact OD1-ND1 3.48Å; F258-H261 WeakPolarHBondContact O-CB 3.5Å; F258-H261 PolarHBondContact O-N 3.4Å; H261-I266 WeakPolarHBondContact O-CG2 3.43Å
262V87.6Confident90Very high43 Ų4350.7 Ų50.726%0.26126%0.257SS..THydrogen-bonded Turntrans-100.66.5-177.9-57.50000113.7F258 R259 S260 K267 V279F258-V262 PolarHBondContact O-N 3.39Å; R259-V262 PolarHBondContact O-N 3.37Å; S260-V262 VanDerWaalsContact C-N 3.35Å; V262-K267 WeakPolarHBondContact O-CE 3.45Å; V262-K267 PolarHBondContact O-NZ 3.41Å; V262-V279 HydrophobicContact CG1-CG1 4.17Å; V262-V279 HydrophobicContact CG1-CG2 3.9Å
263A90.6Very high89.8Confident14 Ų1451.7 Ų51.712%0.11626%0.263CS..  trans-62.2142.9175.400000111.2E229 R259 A265 I266 K267E229-A263 HydrophobicContact CG-CB 3.84Å; E229-A263 WeakPolarHBondContact OE1-CB 3.11Å; R259-A263 PolarHBondContact O-N 3.37Å; R259-A263 VanDerWaalsContact O-N 3.16Å; A263-A265 PolarHBondContact O-N 3.15Å; A263-I266 HydrophobicContact CB-CB 4.5Å; A263-I266 HydrophobicContact CB-CG1 4.41Å; A263-I266 WeakPolarHBondContact O-CB 3.48Å; A263-I266 PolarHBondContact O-N 3.04Å; A263-K267 PolarHBondContact O-N 3.01Å
264E92.3Very high89.6Confident124 Ų12458.8 Ų58.858%0.57929%0.294SS*.Hα-helixtrans-61.6-33.2-178.5-69.3-53.4126.900112.8I266 K267 S268E264-I266 VanDerWaalsContact C-N 3.31Å; E264-I266 PolarHBondContact O-N 2.88Å; E264-K267 PolarHBondContact O-N 2.86Å; E264-K267 WeakPolarHBondContact OE1-CD 3.31Å; E264-K267 IonicContact OE1-NZ 3.04Å; E264-K267 PolarHBondContact OE1-NZ 3.24Å; E264-S268 VanDerWaalsContact O-CB 3.24Å; E264-S268 WeakPolarHBondContact O-CB 3.44Å; E264-S268 PolarHBondContact O-N 3.41Å; E264-S268 PolarHBondContact O-OG 3.09Å
265A94Very high89.5Confident59 Ų5958.4 Ų58.449%0.48829%0.292SS..Hα-helixtrans-61-41.2173.700000111.7A263 H269A263-A265 PolarHBondContact O-N 3.15Å; A265-H269 WeakPolarHBondContact O-CB 3.28Å; A265-H269 PolarHBondContact O-N 3.14Å
266I93.6Very high89.6Confident4 Ų462.5 Ų62.52%0.02131%0.31CS..Hα-helixtrans-71.3-45.9177.5-68.8-53.8000111.4E229 A232 R233 I236 W255 S260 H261 A263 E264 S268 H269 L270E229-I266 HydrophobicContact CB-CD1 4.47Å; E229-I266 HydrophobicContact CB-CG1 4.32Å; E229-I266 HydrophobicContact CG-CG1 4.43Å; E229-I266 WeakPolarHBondContact O-CD1 3.5Å; A232-I266 HydrophobicContact CB-CD1 4.05Å; A232-I266 HydrophobicContact CB-CG1 4.33Å; R233-I266 HydrophobicContact CB-CD1 4.15Å; I236-I266 HydrophobicContact CD1-CG2 4.3Å; W255-I266 HydrophobicContact CH2-CG2 3.57Å; W255-I266 HydrophobicContact CZ2-CG2 4.03Å; S260-I266 WeakPolarHBondContact O-CG1 3.45Å; H261-I266 WeakPolarHBondContact O-CG2 3.43Å; A263-I266 HydrophobicContact CB-CB 4.5Å; A263-I266 HydrophobicContact CB-CG1 4.41Å; A263-I266 WeakPolarHBondContact O-CB 3.48Å; A263-I266 PolarHBondContact O-N 3.04Å; E264-I266 VanDerWaalsContact C-N 3.31Å; E264-I266 PolarHBondContact O-N 2.88Å; I266-S268 VanDerWaalsContact C-N 3.27Å; I266-S268 PolarHBondContact O-N 3.23Å; I266-H269 PolarHBondContact O-N 2.87Å; I266-H269 VanDerWaalsContact O-N 3.14Å; I266-L270 HydrophobicContact CG2-CD1 3.7Å; I266-L270 HydrophobicContact CG2-CG 4.33Å; I266-L270 WeakPolarHBondContact O-CB 3.33Å; I266-L270 WeakPolarHBondContact O-CD1 3.49Å; I266-L270 VanDerWaalsContact O-CG 3.23Å; I266-L270 WeakPolarHBondContact O-CG 3.46Å; I266-L270 PolarHBondContact O-N 3.07Å
267K92.9Very high90Very high75 Ų7564.2 Ų64.233%0.32632%0.32SS..Hα-helixtrans-56.3-43.2173.3-68.2178.4-172.8160.90111.7V262 A263 E264 L270 N271V262-K267 WeakPolarHBondContact O-CE 3.45Å; V262-K267 PolarHBondContact O-NZ 3.41Å; A263-K267 PolarHBondContact O-N 3.01Å; E264-K267 PolarHBondContact O-N 2.86Å; E264-K267 WeakPolarHBondContact OE1-CD 3.31Å; E264-K267 IonicContact OE1-NZ 3.04Å; E264-K267 PolarHBondContact OE1-NZ 3.24Å; K267-L270 PolarHBondContact O-N 3.31Å; K267-N271 WeakPolarHBondContact O-CB 3.45Å; K267-N271 VanDerWaalsContact O-CG 3.31Å; K267-N271 PolarHBondContact O-N 2.88Å; K267-N271 PolarHBondContact O-ND2 2.81Å
268S94.2Very high90.3Very high57 Ų5761 Ų6140%0.39930%0.298SS..Hα-helixtrans-63.1-43.1176.6-63.80000112E264 I266 N271 K272E264-S268 VanDerWaalsContact O-CB 3.24Å; E264-S268 WeakPolarHBondContact O-CB 3.44Å; E264-S268 PolarHBondContact O-N 3.41Å; E264-S268 PolarHBondContact O-OG 3.09Å; I266-S268 VanDerWaalsContact C-N 3.27Å; I266-S268 PolarHBondContact O-N 3.23Å; S268-N271 PolarHBondContact O-N 3.34Å; S268-K272 WeakPolarHBondContact O-CG 3.38Å; S268-K272 PolarHBondContact O-N 3.02Å
269H94.2Very high90.7Very high24 Ų2459.7 Ų59.711%0.11130%0.296CS..Hα-helixtrans-63.1-44.6176.3-17262.6000112.1D237 A265 I266 K272 C273D237-H269 VanDerWaalsContact CG-NE2 3.34Å; D237-H269 IonicContact OD1-CE1 3.49Å; D237-H269 PolarHBondContact OD1-CE1 3.32Å; D237-H269 IonicContact OD1-NE2 2.94Å; D237-H269 PolarHBondContact OD1-NE2 3.24Å; D237-H269 IonicContact OD2-CE1 3.4Å; D237-H269 PolarHBondContact OD2-CE1 3.04Å; D237-H269 IonicContact OD2-NE2 3.1Å; D237-H269 PolarHBondContact OD2-NE2 3.36Å; D237-H269 VanDerWaalsContact OD2-NE2 3.1Å; A265-H269 WeakPolarHBondContact O-CB 3.28Å; A265-H269 PolarHBondContact O-N 3.14Å; I266-H269 PolarHBondContact O-N 2.87Å; I266-H269 VanDerWaalsContact O-N 3.14Å; H269-K272 WeakPolarHBondContact O-CB 3.46Å; H269-K272 PolarHBondContact O-N 2.99Å; H269-C273 PolarHBondContact O-N 3.35Å; H269-C273 PolarHBondContact O-SG 3.45Å
270L92.6Very high90.9Very high2 Ų249.9 Ų49.91%0.0126%0.259CS..Hα-helixtrans-61.3-45.3176.2-71160.7000112I236 L253 W255 I266 K267 K272 C273 K274 M275 T277I236-L270 HydrophobicContact CD1-CD2 3.72Å; I236-L270 HydrophobicContact CD1-CG 4.05Å; I236-L270 HydrophobicContact CG1-CD2 4.27Å; L253-L270 HydrophobicContact CD2-CD2 4.43Å; W255-L270 HydrophobicContact CH2-CD1 3.89Å; W255-L270 HydrophobicContact CZ2-CD1 3.66Å; I266-L270 HydrophobicContact CG2-CD1 3.7Å; I266-L270 HydrophobicContact CG2-CG 4.33Å; I266-L270 WeakPolarHBondContact O-CB 3.33Å; I266-L270 WeakPolarHBondContact O-CD1 3.49Å; I266-L270 VanDerWaalsContact O-CG 3.23Å; I266-L270 WeakPolarHBondContact O-CG 3.46Å; I266-L270 PolarHBondContact O-N 3.07Å; K267-L270 PolarHBondContact O-N 3.31Å; L270-K272 PolarHBondContact O-N 3.4Å; L270-C273 CarbonylContact O-C 3.48Å; L270-C273 WeakPolarHBondContact O-CA 3.41Å; L270-C273 PolarHBondContact O-N 3.27Å; L270-K274 PolarHBondContact O-N 3.4Å; L270-M275 HydrophobicContact CB-CB 4.24Å; L270-M275 HydrophobicContact CD2-CB 4.05Å; L270-M275 HydrophobicContact CD2-CE 3.41Å; L270-M275 VanDerWaalsContact CD2-CE 3.41Å; L270-M275 HydrophobicContact CD2-SD 3.82Å; L270-M275 WeakPolarHBondContact O-CB 3.36Å; L270-M275 PolarHBondContact O-N 3.38Å; L270-T277 HydrophobicContact CD1-CG2 3.47Å; L270-T277 VanDerWaalsContact CD1-CG2 3.47Å; L270-T277 HydrophobicContact CD2-CG2 4.41Å; L270-T277 HydrophobicContact CG-CG2 4.43Å
271N91.5Very high90.9Very high100 Ų10051.4 Ų51.454%0.53527%0.269SS..Hα-helixtrans-60.4-44.7175.9-77.6-29.2000111.6K267 S268 C273 K274K267-N271 WeakPolarHBondContact O-CB 3.45Å; K267-N271 VanDerWaalsContact O-CG 3.31Å; K267-N271 PolarHBondContact O-N 2.88Å; K267-N271 PolarHBondContact O-ND2 2.81Å; S268-N271 PolarHBondContact O-N 3.34Å; N271-C273 PolarHBondContact O-N 2.9Å; N271-K274 PolarHBondContact O-N 3.05Å
272K91.7Very high90.4Very high176 Ų17653.6 Ų53.677%0.76529%0.292SS*.Hα-helixtrans-58.8-33.4173.5-73.5175.2-178.4-178.80112.2S268 H269 L270 K274S268-K272 WeakPolarHBondContact O-CG 3.38Å; S268-K272 PolarHBondContact O-N 3.02Å; H269-K272 WeakPolarHBondContact O-CB 3.46Å; H269-K272 PolarHBondContact O-N 2.99Å; L270-K272 PolarHBondContact O-N 3.4Å; K272-K274 VanDerWaalsContact C-N 3.26Å; K272-K274 PolarHBondContact O-N 3.32Å
273C89Confident89.6Confident20 Ų2054 Ų5414%0.13531%0.305CS..THydrogen-bonded Turntrans-83.28.5176-61.90000114.1H269 L270 N271 M275H269-C273 PolarHBondContact O-N 3.35Å; H269-C273 PolarHBondContact O-SG 3.45Å; L270-C273 CarbonylContact O-C 3.48Å; L270-C273 WeakPolarHBondContact O-CA 3.41Å; L270-C273 PolarHBondContact O-N 3.27Å; N271-C273 PolarHBondContact O-N 2.9Å; C273-M275 HydrophobicContact CB-CG 3.83Å; C273-M275 HydrophobicContact CB-SD 3.79Å; C273-M275 WeakPolarHBondContact O-CG 3.43Å; C273-M275 PolarHBondContact O-N 2.99Å
274K88.8Confident89Confident149 Ų14953.4 Ų53.465%0.64830%0.299SS*.THydrogen-bonded Turntrans58.133.6-176-57.9177177.6177.10113.3R250 L270 N271 K272R250-K274 HydrophobicContact CG-CB 4.35Å; L270-K274 PolarHBondContact O-N 3.4Å; N271-K274 PolarHBondContact O-N 3.05Å; K272-K274 VanDerWaalsContact C-N 3.26Å; K272-K274 PolarHBondContact O-N 3.32Å
275M91.2Very high88.1Confident5 Ų552.4 Ų52.43%0.02529%0.291CS..EExtended strand (participates in β ladder)trans-105136.8-179.4-55.1177.750.100110.8I236 W240 S251 L253 L270 C273I236-M275 HydrophobicContact CG2-CE 4.5Å; I236-M275 HydrophobicContact CG2-SD 4.02Å; W240-M275 HydrophobicContact CG-CE 4.06Å; S251-M275 WeakPolarHBondContact O-CA 3.48Å; S251-M275 WeakPolarHBondContact OG-CG 3.32Å; L253-M275 HydrophobicContact CB-CE 4.28Å; L253-M275 HydrophobicContact CD2-CE 4.42Å; L270-M275 HydrophobicContact CB-CB 4.24Å; L270-M275 HydrophobicContact CD2-CB 4.05Å; L270-M275 HydrophobicContact CD2-CE 3.41Å; L270-M275 VanDerWaalsContact CD2-CE 3.41Å; L270-M275 HydrophobicContact CD2-SD 3.82Å; L270-M275 WeakPolarHBondContact O-CB 3.36Å; L270-M275 PolarHBondContact O-N 3.38Å; C273-M275 HydrophobicContact CB-CG 3.83Å; C273-M275 HydrophobicContact CB-SD 3.79Å; C273-M275 WeakPolarHBondContact O-CG 3.43Å; C273-M275 PolarHBondContact O-N 2.99Å
276K92.7Very high87Confident89 Ų8954.1 Ų54.139%0.38730%0.299SS..EExtended strand (participates in β ladder)trans-98.5157.1167.3-65.7-62.2-173.9178.80109.6F160 S251 L252 L253F160-K276 HydrophobicContact CE2-CB 4.48Å; F160-K276 HydrophobicContact CZ-CB 3.93Å; F160-K276 HydrophobicContact CZ-CG 3.76Å; S251-K276 PolarHBondContact O-N 3.47Å; L252-K276 CarbonylContact C-O 3.21Å; L252-K276 WeakPolarHBondContact CA-O 3.37Å; L252-K276 HydrophobicContact CD1-CB 4.03Å; L253-K276 PolarHBondContact N-O 2.93Å
277T93.2Very high86.4Confident42 Ų4257 Ų5726%0.25832%0.317SS..EExtended strand (participates in β ladder)trans-127.8146.9176.252.80000112.1L253 W255 L270L253-T277 HydrophobicContact CB-CG2 4.37Å; L253-T277 CarbonylContact O-C 3.39Å; L253-T277 WeakPolarHBondContact O-CA 3.27Å; W255-T277 HydrophobicContact CZ2-CG2 4.02Å; L270-T277 HydrophobicContact CD1-CG2 3.47Å; L270-T277 VanDerWaalsContact CD1-CG2 3.47Å; L270-T277 HydrophobicContact CD2-CG2 4.41Å; L270-T277 HydrophobicContact CG-CG2 4.43Å
278A93.1Very high85.9Confident0 Ų054.9 Ų54.90%031%0.308CS..EExtended strand (participates in β ladder)trans-122.3133.1162.900000108.9F147 V151 L154 L252 L253 V254 W255F147-A278 HydrophobicContact CE2-CB 4.25Å; F147-A278 HydrophobicContact CZ-CB 4.39Å; V151-A278 HydrophobicContact CG2-CB 3.97Å; L154-A278 HydrophobicContact CD1-CB 4.05Å; L252-A278 HydrophobicContact CD1-CB 4.31Å; L253-A278 PolarHBondContact O-N 3.46Å; V254-A278 WeakPolarHBondContact CA-O 3.45Å; V254-A278 HydrophobicContact CG1-CB 4.25Å; V254-A278 HydrophobicContact CG2-CB 4.27Å; W255-A278 PolarHBondContact N-O 2.93Å; W255-A278 VanDerWaalsContact N-O 3.09Å
279V91.2Very high85.6Confident48 Ų4852.1 Ų52.129%0.29129%0.289SS..EExtended strand (participates in β ladder)trans-108.8125.4-176.2176.30000109F147 W255 S257 V262F147-V279 VanDerWaalsContact CE2-O 3.28Å; F147-V279 WeakPolarHBondContact CE2-O 3.38Å; W255-V279 CarbonylContact O-C 3.55Å; W255-V279 WeakPolarHBondContact O-CA 3.46Å; S257-V279 VanDerWaalsContact CA-CG1 3.45Å; S257-V279 VanDerWaalsContact CB-CG1 3.48Å; V262-V279 HydrophobicContact CG1-CG1 4.17Å; V262-V279 HydrophobicContact CG1-CG2 3.9Å
280F86.6Confident85.3Confident9 Ų954 Ų544%0.03930%0.304CS..PPolyproline II helixtrans-61.3133.2176-66.2-62.9000110.3F147 V254 W255 L288 Q289F147-F280 HydrophobicContact CD1-CD1 4.32Å; F147-F280 AromaticContact CE1-CD1 3.53Å; F147-F280 HydrophobicContact CE1-CD1 3.53Å; F147-F280 AromaticContact CE1-CE1 3.48Å; F147-F280 HydrophobicContact CE1-CE1 3.48Å; F147-F280 VanDerWaalsContact CE1-CE1 3.48Å; F147-F280 HydrophobicContact CE2-CD1 4.03Å; F147-F280 AromaticContact CZ-CD1 3.35Å; F147-F280 HydrophobicContact CZ-CD1 3.35Å; F147-F280 AromaticContact CZ-CE1 3.5Å; F147-F280 HydrophobicContact CZ-CE1 3.5Å; F147-F280 VanDerWaalsContact CZ-CE1 3.5Å; F147-F280 HydrophobicContact CZ-CG 4.28Å; V254-F280 HydrophobicContact CB-CZ 4.44Å; V254-F280 HydrophobicContact CG1-CD1 4.41Å; V254-F280 HydrophobicContact CG1-CE1 3.7Å; V254-F280 HydrophobicContact CG1-CE2 3.88Å; V254-F280 HydrophobicContact CG1-CZ 3.39Å; W255-F280 VanDerWaalsContact C-CD2 3.48Å; W255-F280 WeakPolarHBondContact O-CD2 3.36Å; W255-F280 PolarHBondContact O-N 3.45Å; F280-L288 HydrophobicContact CD1-CB 3.62Å; F280-L288 HydrophobicContact CD1-CD1 3.96Å; F280-L288 HydrophobicContact CD1-CG 4.49Å; F280-L288 HydrophobicContact CE1-CB 3.59Å; F280-L288 HydrophobicContact CE1-CD1 4.42Å; F280-L288 WeakPolarHBondContact CE1-O 3.48Å; F280-L288 WeakPolarHBondContact CZ-O 3.36Å; F280-Q289 HydrophobicContact CE2-CB 4.31Å
281P82.5Confident85.2Confident38 Ų3855.7 Ų55.725%0.24731%0.312CS..PPolyproline II helixtrans-66.9149.3172.530.2-35.5000109.9K143 F147 G283 L284K143-P281 HydrophobicContact CB-CG 4.32Å; F147-P281 HydrophobicContact CB-CG 4.28Å; P281-G283 PolarHBondContact O-N 3.39Å; P281-L284 HydrophobicContact CG-CB 4.32Å; P281-L284 HydrophobicContact CG-CD1 3.44Å; P281-L284 VanDerWaalsContact CG-CD1 3.44Å; P281-L284 HydrophobicContact CG-CG 3.81Å; P281-L284 PolarHBondContact O-N 2.89Å
282G75.4Confident84.9Confident48 Ų4853.1 Ų53.150%0.49530%0.299SS..THydrogen-bonded Turntrans-54.2139.3-179.700000112.4L284G282-L284 VanDerWaalsContact C-N 3.32Å; G282-L284 PolarHBondContact O-N 3.09Å
283G71.5Confident84.4Confident51 Ų5148.2 Ų48.253%0.52628%0.283SS..THydrogen-bonded Turntrans83.6-4.7178.700000115.5P281P281-G283 PolarHBondContact O-N 3.39Å
284L77Confident84.2Confident1 Ų150.9 Ų50.91%0.00530%0.301CS..  trans-97.4-4179.7-63.2-158.8000115.2L140 K143 L144 P281 G282 S286 V287 L288L140-L284 HydrophobicContact CD1-CD2 3.17Å; L140-L284 HydrophobicContact CG-CD2 3.91Å; K143-L284 HydrophobicContact CB-CD1 3.72Å; K143-L284 HydrophobicContact CB-CD2 4.29Å; K143-L284 HydrophobicContact CB-CG 4.21Å; L144-L284 HydrophobicContact CB-CD1 4.48Å; L144-L284 HydrophobicContact CD2-CD1 3.83Å; L144-L284 HydrophobicContact CD2-CD2 4.48Å; L144-L284 HydrophobicContact CG-CD1 3.9Å; L144-L284 HydrophobicContact CG-CD2 4.24Å; P281-L284 HydrophobicContact CG-CB 4.32Å; P281-L284 HydrophobicContact CG-CD1 3.44Å; P281-L284 VanDerWaalsContact CG-CD1 3.44Å; P281-L284 HydrophobicContact CG-CG 3.81Å; P281-L284 PolarHBondContact O-N 2.89Å; G282-L284 VanDerWaalsContact C-N 3.32Å; G282-L284 PolarHBondContact O-N 3.09Å; L284-S286 VanDerWaalsContact C-N 3.31Å; L284-S286 PolarHBondContact O-N 3.31Å; L284-V287 PolarHBondContact O-N 3.05Å; L284-L288 HydrophobicContact CB-CB 4.42Å; L284-L288 HydrophobicContact CB-CD1 3.79Å; L284-L288 HydrophobicContact CB-CG 4.09Å; L284-L288 HydrophobicContact CD1-CD1 3.41Å; L284-L288 VanDerWaalsContact CD1-CD1 3.41Å; L284-L288 HydrophobicContact CD1-CG 4.21Å; L284-L288 HydrophobicContact CG-CD1 4.27Å; L284-L288 PolarHBondContact O-N 3.05Å
285R72.9Confident84.2Confident104 Ų10448.5 Ų48.539%0.39230%0.295SS..Hα-helixtrans-52.2-46.3-174.1-163-172.3-61.9-162.21.8112.6D169 D256 V287 L288 Q289 D292D169-R285 IonicContact OD1-NH1 2.85Å; D256-R285 IonicContact OD2-CZ 3.5Å; D256-R285 IonicContact OD2-NE 3.38Å; D256-R285 IonicContact OD2-NH1 2.7Å; D256-R285 PolarHBondContact OD2-NH1 3.4Å; D256-R285 IonicContact OD2-NH2 3.97Å; D256-R285 PolarHBondContact OD2-NH2 3.38Å; R285-V287 PolarHBondContact O-N 3.17Å; R285-L288 PolarHBondContact O-N 3.23Å; R285-Q289 HydrophobicContact CB-CB 4.44Å; R285-Q289 HydrophobicContact CG-CB 3.51Å; R285-Q289 HydrophobicContact CG-CG 3.82Å; R285-Q289 WeakPolarHBondContact O-CB 3.5Å; R285-Q289 PolarHBondContact O-N 3.19Å; R285-D292 WeakPolarHBondContact CD-OD2 3.31Å; R285-D292 VanDerWaalsContact CG-OD2 3.29Å; R285-D292 WeakPolarHBondContact CG-OD2 3.38Å
286S71.3Confident84.1Confident95 Ų9548.9 Ų48.966%0.66430%0.297SS*.Hα-helixtrans-63.7-11.4-179.162.80000115.3L284L284-S286 VanDerWaalsContact C-N 3.31Å; L284-S286 PolarHBondContact O-N 3.31Å
287V80.4Confident83.6Confident65 Ų6552 Ų5239%0.39431%0.31SS..Hα-helixtrans-113.7-42.1-178.4-175.60000111L144 L284 R285L144-V287 HydrophobicContact CD1-CG1 4.35Å; L144-V287 HydrophobicContact CD2-CB 4.46Å; L144-V287 HydrophobicContact CD2-CG1 3.9Å; L284-V287 PolarHBondContact O-N 3.05Å; R285-V287 PolarHBondContact O-N 3.17Å
288L83.9Confident83.4Confident29 Ų2956.2 Ų56.215%0.15233%0.331CS..Hα-helixtrans-101.2-23.4-170-72.3-174.1000115.1L144 F147 F280 L284 R285 P290L144-L288 HydrophobicContact CD2-CD1 3.82Å; L144-L288 HydrophobicContact CD2-CD2 3.38Å; L144-L288 HydrophobicContact CD2-CG 3.45Å; L144-L288 VanDerWaalsContact CD2-CG 3.45Å; F147-L288 HydrophobicContact CB-CD1 4.29Å; F147-L288 HydrophobicContact CD1-CD1 3.43Å; F147-L288 VanDerWaalsContact CD1-CD1 3.43Å; F147-L288 HydrophobicContact CE1-CD1 3.94Å; F147-L288 HydrophobicContact CG-CD1 3.98Å; F280-L288 HydrophobicContact CD1-CB 3.62Å; F280-L288 HydrophobicContact CD1-CD1 3.96Å; F280-L288 HydrophobicContact CD1-CG 4.49Å; F280-L288 HydrophobicContact CE1-CB 3.59Å; F280-L288 HydrophobicContact CE1-CD1 4.42Å; F280-L288 WeakPolarHBondContact CE1-O 3.48Å; F280-L288 WeakPolarHBondContact CZ-O 3.36Å; L284-L288 HydrophobicContact CB-CB 4.42Å; L284-L288 HydrophobicContact CB-CD1 3.79Å; L284-L288 HydrophobicContact CB-CG 4.09Å; L284-L288 HydrophobicContact CD1-CD1 3.41Å; L284-L288 VanDerWaalsContact CD1-CD1 3.41Å; L284-L288 HydrophobicContact CD1-CG 4.21Å; L284-L288 HydrophobicContact CG-CD1 4.27Å; L284-L288 PolarHBondContact O-N 3.05Å; R285-L288 PolarHBondContact O-N 3.23Å; L288-P290 WeakPolarHBondContact O-CD 3.35Å
289Q86.2Confident83.2Confident0 Ų060.3 Ų60.30%035%0.349CS..  trans-76.5103.6-176.7-179.863.1-64.600109.3N167 M168 D169 F280 R285 L291 D292 V293N167-Q289 VanDerWaalsContact CG-OE1 3.24Å; N167-Q289 PolarHBondContact ND2-OE1 3.38Å; N167-Q289 PolarHBondContact OD1-OE1 2.99Å; M168-Q289 PolarHBondContact O-NE2 3.47Å; D169-Q289 HydrophobicContact CB-CG 4.28Å; D169-Q289 VanDerWaalsContact CG-NE2 3.3Å; D169-Q289 PolarHBondContact OD1-NE2 2.88Å; F280-Q289 HydrophobicContact CE2-CB 4.31Å; R285-Q289 HydrophobicContact CB-CB 4.44Å; R285-Q289 HydrophobicContact CG-CB 3.51Å; R285-Q289 HydrophobicContact CG-CG 3.82Å; R285-Q289 WeakPolarHBondContact O-CB 3.5Å; R285-Q289 PolarHBondContact O-N 3.19Å; Q289-L291 VanDerWaalsContact C-N 3.28Å; Q289-L291 PolarHBondContact O-N 3.45Å; Q289-D292 HydrophobicContact CB-CB 4.01Å; Q289-D292 HydrophobicContact CG-CB 3.84Å; Q289-D292 PolarHBondContact O-N 3.06Å; Q289-D292 VanDerWaalsContact O-N 3.09Å; Q289-V293 WeakPolarHBondContact O-CG2 3.26Å; Q289-V293 PolarHBondContact O-N 3.26Å; Q289-V293 VanDerWaalsContact O-N 3.1Å
290P88.7Confident83.1Confident63 Ų6360 Ų6041%0.40934%0.343SS..Hα-helixtrans-60.2-38.9-172.5-23.435.7000112.2N167 L288 D292 V293 C294N167-P290 WeakPolarHBondContact OD1-CD 3.18Å; L288-P290 WeakPolarHBondContact O-CD 3.35Å; P290-D292 PolarHBondContact O-N 3Å; P290-V293 PolarHBondContact O-N 3.44Å; P290-C294 VanDerWaalsContact O-CB 3.26Å; P290-C294 WeakPolarHBondContact O-CB 3.29Å; P290-C294 PolarHBondContact O-N 3.41Å
291L91.1Very high83.1Confident37 Ų3760.7 Ų60.719%0.19435%0.353CS..Iπ-helixtrans-59.7-44.1176.1-76.3168.8000111.9N167 D169 Q289 I295 N296N167-L291 VanDerWaalsContact OD1-CD1 3.29Å; N167-L291 WeakPolarHBondContact OD1-CD1 3.46Å; N167-L291 WeakPolarHBondContact OD1-CG 3.25Å; N167-L291 PolarHBondContact OD1-N 3.27Å; D169-L291 HydrophobicContact CB-CB 3.93Å; D169-L291 HydrophobicContact CB-CD1 3.59Å; D169-L291 HydrophobicContact CB-CG 4.4Å; Q289-L291 VanDerWaalsContact C-N 3.28Å; Q289-L291 PolarHBondContact O-N 3.45Å; L291-I295 HydrophobicContact CD2-CB 4.09Å; L291-I295 HydrophobicContact CD2-CD1 3.9Å; L291-I295 HydrophobicContact CD2-CG1 4.35Å; L291-I295 HydrophobicContact CD2-CG2 4.44Å; L291-I295 CarbonylContact O-C 3.59Å; L291-I295 PolarHBondContact O-N 2.76Å; L291-N296 VanDerWaalsContact O-CB 3.31Å; L291-N296 WeakPolarHBondContact O-CB 3.48Å; L291-N296 PolarHBondContact O-N 3.3Å
292D84.5Confident83.5Confident46 Ų4665.6 Ų65.625%0.24637%0.368CS..Iπ-helixtrans-66.4-40.8178.4-92.2-23.1000113.4R285 Q289 P290 N296R285-D292 WeakPolarHBondContact CD-OD2 3.31Å; R285-D292 VanDerWaalsContact CG-OD2 3.29Å; R285-D292 WeakPolarHBondContact CG-OD2 3.38Å; Q289-D292 HydrophobicContact CB-CB 4.01Å; Q289-D292 HydrophobicContact CG-CB 3.84Å; Q289-D292 PolarHBondContact O-N 3.06Å; Q289-D292 VanDerWaalsContact O-N 3.09Å; P290-D292 PolarHBondContact O-N 3Å; D292-N296 PolarHBondContact OD1-ND2 3.06Å
293V81.3Confident84.1Confident73 Ų7365.8 Ų65.844%0.44236%0.357SS..Iπ-helixtrans-75.9-40.7-176.3177.50000111.7Q289 P290Q289-V293 WeakPolarHBondContact O-CG2 3.26Å; Q289-V293 PolarHBondContact O-N 3.26Å; Q289-V293 VanDerWaalsContact O-N 3.1Å; P290-V293 PolarHBondContact O-N 3.44Å
294C84.9Confident84.9Confident76 Ų7665.9 Ų65.951%0.51434%0.341SS..Iπ-helixtrans-104-46.7-168.5-61.20000113.5P290 L298P290-C294 VanDerWaalsContact O-CB 3.26Å; P290-C294 WeakPolarHBondContact O-CB 3.29Å; P290-C294 PolarHBondContact O-N 3.41Å; C294-L298 WeakPolarHBondContact O-CD1 3.37Å
295I89.2Confident85.4Confident99 Ų9969.9 Ų69.951%0.50836%0.36SS..Iπ-helixtrans-105.1-54.5-164.1-58.5-170.6000111.8L291 K297 L298 F299L291-I295 HydrophobicContact CD2-CB 4.09Å; L291-I295 HydrophobicContact CD2-CD1 3.9Å; L291-I295 HydrophobicContact CD2-CG1 4.35Å; L291-I295 HydrophobicContact CD2-CG2 4.44Å; L291-I295 CarbonylContact O-C 3.59Å; L291-I295 PolarHBondContact O-N 2.76Å; I295-K297 PolarHBondContact O-N 2.99Å; I295-K297 VanDerWaalsContact O-N 3.14Å; I295-L298 PolarHBondContact O-N 3.04Å; I295-F299 WeakPolarHBondContact O-CB 3.48Å; I295-F299 PolarHBondContact O-N 3.18Å
296N88.2Confident86.2Confident13 Ų1368.7 Ų68.77%0.0736%0.359CS..Hα-helixtrans-56.6-35.5-177.2-70.3-12000112D169 T171 L291 D292 K300D169-N296 PolarHBondContact OD2-ND2 3.19Å; T171-N296 PolarHBondContact OG1-ND2 2.95Å; L291-N296 VanDerWaalsContact O-CB 3.31Å; L291-N296 WeakPolarHBondContact O-CB 3.48Å; L291-N296 PolarHBondContact O-N 3.3Å; D292-N296 PolarHBondContact OD1-ND2 3.06Å; N296-K300 VanDerWaalsContact O-CB 3.22Å; N296-K300 WeakPolarHBondContact O-CB 3.42Å; N296-K300 VanDerWaalsContact O-CG 3.29Å; N296-K300 WeakPolarHBondContact O-CG 3.34Å; N296-K300 PolarHBondContact O-N 2.94Å
297K83.6Confident86.9Confident155 Ų15565.7 Ų65.767%0.67433%0.333SS*.Hα-helixtrans-64.4-43.8176.4-176.7-179.9175.4-1740112.1I295 G301I295-K297 PolarHBondContact O-N 2.99Å; I295-K297 VanDerWaalsContact O-N 3.14Å; K297-G301 PolarHBondContact O-N 3.33Å
298L88.5Confident87.1Confident130 Ų13064 Ų6468%0.68132%0.32SS*.Hα-helixtrans-68.8-48.1177.2-67.7176.8000110.5C294 I295 G301 Y302C294-L298 WeakPolarHBondContact O-CD1 3.37Å; I295-L298 PolarHBondContact O-N 3.04Å; L298-G301 CarbonylContact O-C 3.55Å; L298-G301 VanDerWaalsContact O-CA 3.28Å; L298-G301 WeakPolarHBondContact O-CA 3.49Å; L298-G301 PolarHBondContact O-N 3.29Å; L298-Y302 PolarHBondContact O-N 3.11Å
299F89.5Confident87.3Confident86 Ų8667.9 Ų67.938%0.37734%0.337SS..Hα-helixtrans-56.4-53.1176.8175.4-115.4000112.1T171 I173 I295 G301 Y302 M303T171-F299 HydrophobicContact CG2-CD1 3.79Å; T171-F299 HydrophobicContact CG2-CE1 3.75Å; I173-F299 HydrophobicContact CD1-CD1 4.08Å; I173-F299 HydrophobicContact CD1-CE1 3.37Å; I173-F299 HydrophobicContact CD1-CZ 4.1Å; I173-F299 HydrophobicContact CG1-CE1 3.89Å; I173-F299 HydrophobicContact CG1-CZ 4.31Å; I295-F299 WeakPolarHBondContact O-CB 3.48Å; I295-F299 PolarHBondContact O-N 3.18Å; F299-G301 PolarHBondContact O-N 3.26Å; F299-Y302 WeakPolarHBondContact O-CB 3.44Å; F299-Y302 PolarHBondContact O-N 3.07Å; F299-Y302 VanDerWaalsContact O-N 3.15Å; F299-M303 HydrophobicContact CD2-CG 4.32Å; F299-M303 HydrophobicContact CE1-CG 4.27Å; F299-M303 HydrophobicContact CE2-CG 3.95Å; F299-M303 HydrophobicContact CE2-SD 4.01Å; F299-M303 HydrophobicContact CZ-CG 3.92Å; F299-M303 HydrophobicContact CZ-SD 4.14Å; F299-M303 WeakPolarHBondContact O-CG 3.37Å; F299-M303 PolarHBondContact O-N 3.25Å
300K87.1Confident87.3Confident41 Ų4173.1 Ų73.118%0.17836%0.357CS..Hα-helixtrans-63.3-25.8174.1-71.5175173.3160.10112.1T171 P172 I173 M177 N296 R304T171-K300 WeakPolarHBondContact OG1-CE 3.43Å; T171-K300 PolarHBondContact OG1-NZ 3.42Å; P172-K300 WeakPolarHBondContact O-CE 3.29Å; I173-K300 HydrophobicContact CD1-CG 4.35Å; M177-K300 HydrophobicContact CE-CB 4Å; M177-K300 HydrophobicContact CE-CG 4.07Å; N296-K300 VanDerWaalsContact O-CB 3.22Å; N296-K300 WeakPolarHBondContact O-CB 3.42Å; N296-K300 VanDerWaalsContact O-CG 3.29Å; N296-K300 WeakPolarHBondContact O-CG 3.34Å; N296-K300 PolarHBondContact O-N 2.94Å; K300-R304 VanDerWaalsContact C-NH1 3.31Å; K300-R304 WeakPolarHBondContact O-CG 2.91Å; K300-R304 PolarHBondContact O-N 3.41Å; K300-R304 PolarHBondContact O-NH1 2.98Å
301G87.6Confident87Confident24 Ų2471.7 Ų71.725%0.24735%0.345CS..Hα-helixtrans-63.5-53.8171.500000111K297 L298 F299 R304 E305K297-G301 PolarHBondContact O-N 3.33Å; L298-G301 CarbonylContact O-C 3.55Å; L298-G301 VanDerWaalsContact O-CA 3.28Å; L298-G301 WeakPolarHBondContact O-CA 3.49Å; L298-G301 PolarHBondContact O-N 3.29Å; F299-G301 PolarHBondContact O-N 3.26Å; G301-R304 WeakPolarHBondContact O-CB 3.32Å; G301-R304 PolarHBondContact O-N 3.29Å; G301-E305 PolarHBondContact O-N 2.64Å
302Y90.1Very high86.6Confident141 Ų14171.6 Ų71.655%0.55335%0.35SS*.Hα-helixtrans-57.7-50.8176.7-178.9-104000112.1L298 F299 R304 E305 E306L298-Y302 PolarHBondContact O-N 3.11Å; F299-Y302 WeakPolarHBondContact O-CB 3.44Å; F299-Y302 PolarHBondContact O-N 3.07Å; F299-Y302 VanDerWaalsContact O-N 3.15Å; Y302-R304 PolarHBondContact O-N 3.38Å; Y302-R304 VanDerWaalsContact O-N 3.11Å; Y302-E305 WeakPolarHBondContact O-CA 3.24Å; Y302-E305 PolarHBondContact O-N 3.07Å; Y302-E306 HydrophobicContact CD1-CG 4.09Å; Y302-E306 HydrophobicContact CE1-CG 3.63Å; Y302-E306 HydrophobicContact CE2-CG 4.18Å; Y302-E306 VanDerWaalsContact CE2-OE1 3.29Å; Y302-E306 WeakPolarHBondContact CE2-OE1 3.22Å; Y302-E306 PolarHBondContact O-N 2.9Å; Y302-E306 VanDerWaalsContact OH-CD 3.29Å; Y302-E306 PolarHBondContact OH-OE1 2.81Å
303M88.9Confident86.7Confident53 Ų5375.5 Ų75.526%0.26137%0.371SS..Hα-helixtrans-56.9-31.3177.4-66.2-56.3-63.100113.5I173 M177 F299 W307I173-M303 HydrophobicContact CD1-CG 4.31Å; I173-M303 HydrophobicContact CG2-CE 4.09Å; M177-M303 HydrophobicContact CE-CB 4.13Å; F299-M303 HydrophobicContact CD2-CG 4.32Å; F299-M303 HydrophobicContact CE1-CG 4.27Å; F299-M303 HydrophobicContact CE2-CG 3.95Å; F299-M303 HydrophobicContact CE2-SD 4.01Å; F299-M303 HydrophobicContact CZ-CG 3.92Å; F299-M303 HydrophobicContact CZ-SD 4.14Å; F299-M303 WeakPolarHBondContact O-CG 3.37Å; F299-M303 PolarHBondContact O-N 3.25Å; M303-W307 VanDerWaalsContact O-CB 3.29Å; M303-W307 WeakPolarHBondContact O-CB 3.42Å; M303-W307 PolarHBondContact O-N 3.42Å
304R88.5Confident86.7Confident53 Ų5373 Ų7320%0.236%0.359CS..Hα-helixtrans-71.8-36.4174.4-71.4177-160.2104.63112.2M177 K300 G301 Y302 K308M177-R304 HydrophobicContact CB-CG 3.89Å; M177-R304 HydrophobicContact CE-CG 4.08Å; M177-R304 VanDerWaalsContact O-CG 3.3Å; M177-R304 WeakPolarHBondContact O-CG 3.35Å; K300-R304 VanDerWaalsContact C-NH1 3.31Å; K300-R304 WeakPolarHBondContact O-CG 2.91Å; K300-R304 PolarHBondContact O-N 3.41Å; K300-R304 PolarHBondContact O-NH1 2.98Å; G301-R304 WeakPolarHBondContact O-CB 3.32Å; G301-R304 PolarHBondContact O-N 3.29Å; Y302-R304 PolarHBondContact O-N 3.38Å; Y302-R304 VanDerWaalsContact O-N 3.11Å; R304-K308 WeakPolarHBondContact O-CB 3.48Å; R304-K308 WeakPolarHBondContact O-CG 3.04Å; R304-K308 PolarHBondContact O-N 3.44Å
305E87.3Confident86.5Confident85 Ų8578.3 Ų78.340%0.39738%0.377SS..Hα-helixtrans-69.4-45.1177.4-62.4-53.4125.900110.4G301 Y302 W307 K308 E309G301-E305 PolarHBondContact O-N 2.64Å; Y302-E305 WeakPolarHBondContact O-CA 3.24Å; Y302-E305 PolarHBondContact O-N 3.07Å; E305-W307 VanDerWaalsContact C-N 3.34Å; E305-W307 PolarHBondContact O-N 2.76Å; E305-K308 WeakPolarHBondContact O-CB 3.47Å; E305-K308 PolarHBondContact O-N 2.9Å; E305-K308 VanDerWaalsContact O-N 3.12Å; E305-K308 IonicContact OE1-NZ 3.67Å; E305-K308 PolarHBondContact OE1-NZ 3.33Å; E305-K308 IonicContact OE2-NZ 2.6Å; E305-E309 PolarHBondContact O-N 3.23Å
306E88.6Confident86.1Confident79 Ų7976.2 Ų76.237%0.36936%0.364SS..Hα-helixtrans-56.3-46.7172.1-65.7-62.2140.100111.6Y302 K308 E309 W310Y302-E306 HydrophobicContact CD1-CG 4.09Å; Y302-E306 HydrophobicContact CE1-CG 3.63Å; Y302-E306 HydrophobicContact CE2-CG 4.18Å; Y302-E306 VanDerWaalsContact CE2-OE1 3.29Å; Y302-E306 WeakPolarHBondContact CE2-OE1 3.22Å; Y302-E306 PolarHBondContact O-N 2.9Å; Y302-E306 VanDerWaalsContact OH-CD 3.29Å; Y302-E306 PolarHBondContact OH-OE1 2.81Å; E306-K308 PolarHBondContact O-N 3.14Å; E306-E309 PolarHBondContact O-N 2.72Å; E306-W310 WeakPolarHBondContact O-CB 3.45Å; E306-W310 PolarHBondContact O-N 3.01Å
307W87.7Confident85.7Confident31 Ų3181.1 Ų81.112%0.11740%0.395CS..Hα-helixtrans-62.3-40.8176.3-178.889.6000112.5F175 D176 M177 I178 M303 E305 E309 W310 M311F175-W307 PolarHBondContact O-NE1 3.09Å; D176-W307 HydrophobicContact CB-CZ2 4.46Å; D176-W307 VanDerWaalsContact OD1-CZ2 3.3Å; D176-W307 WeakPolarHBondContact OD1-CZ2 3.38Å; M177-W307 HydrophobicContact CB-CB 3.96Å; M177-W307 HydrophobicContact CB-CG 4.06Å; I178-W307 HydrophobicContact CB-CH2 4.44Å; I178-W307 HydrophobicContact CG1-CH2 3.54Å; I178-W307 HydrophobicContact CG1-CZ2 3.93Å; I178-W307 HydrophobicContact CG1-CZ3 4.06Å; M303-W307 VanDerWaalsContact O-CB 3.29Å; M303-W307 WeakPolarHBondContact O-CB 3.42Å; M303-W307 PolarHBondContact O-N 3.42Å; E305-W307 VanDerWaalsContact C-N 3.34Å; E305-W307 PolarHBondContact O-N 2.76Å; W307-E309 VanDerWaalsContact C-N 3.34Å; W307-W310 PolarHBondContact O-N 3.3Å; W307-M311 HydrophobicContact CD2-CG 3.79Å; W307-M311 HydrophobicContact CE3-CG 3.92Å; W307-M311 HydrophobicContact CH2-CE 4.08Å; W307-M311 HydrophobicContact CH2-CG 3.57Å; W307-M311 HydrophobicContact CH2-SD 4.25Å; W307-M311 HydrophobicContact CZ2-CE 4.13Å; W307-M311 HydrophobicContact CZ2-CG 3.43Å; W307-M311 VanDerWaalsContact CZ2-CG 3.43Å; W307-M311 HydrophobicContact CZ2-SD 3.83Å; W307-M311 HydrophobicContact CZ3-CB 4.44Å; W307-M311 HydrophobicContact CZ3-CG 3.81Å; W307-M311 VanDerWaalsContact O-CB 3.31Å; W307-M311 WeakPolarHBondContact O-CB 3.39Å; W307-M311 VanDerWaalsContact O-CG 3.28Å; W307-M311 WeakPolarHBondContact O-CG 3.49Å; W307-M311 PolarHBondContact O-N 3.42Å
308K84.5Confident85.3Confident29 Ų2979.6 Ų79.613%0.12639%0.386CS..Hα-helixtrans-64.9-39.5176.7-78.1170.6-177.7175.50111.8R304 E305 E306 M311 A312R304-K308 WeakPolarHBondContact O-CB 3.48Å; R304-K308 WeakPolarHBondContact O-CG 3.04Å; R304-K308 PolarHBondContact O-N 3.44Å; E305-K308 WeakPolarHBondContact O-CB 3.47Å; E305-K308 PolarHBondContact O-N 2.9Å; E305-K308 VanDerWaalsContact O-N 3.12Å; E305-K308 IonicContact OE1-NZ 3.67Å; E305-K308 PolarHBondContact OE1-NZ 3.33Å; E305-K308 IonicContact OE2-NZ 2.6Å; E306-K308 PolarHBondContact O-N 3.14Å; K308-M311 PolarHBondContact O-N 3.06Å; K308-A312 WeakPolarHBondContact O-CB 3.43Å; K308-A312 PolarHBondContact O-N 2.9Å
309E86.9Confident84.6Confident112 Ų11276.9 Ų76.952%0.52337%0.374SS..Hα-helixtrans-66.2-47.2177.6-177.8165.4-175.100110.7E305 E306 W307 M311 A312 N313E305-E309 PolarHBondContact O-N 3.23Å; E306-E309 PolarHBondContact O-N 2.72Å; W307-E309 VanDerWaalsContact C-N 3.34Å; E309-M311 VanDerWaalsContact C-N 3.33Å; E309-M311 PolarHBondContact O-N 2.87Å; E309-A312 PolarHBondContact O-N 3.04Å; E309-N313 PolarHBondContact O-N 3.23Å
310W86.4Confident83.8Confident109 Ų10978.6 Ų78.641%0.41341%0.405SS..Hα-helixtrans-60.2-41.5172.8178.181.5000112.1T196 E306 W307 A312 G314 K316 M324T196-W310 HydrophobicContact CG2-CZ3 4.29Å; E306-W310 WeakPolarHBondContact O-CB 3.45Å; E306-W310 PolarHBondContact O-N 3.01Å; W307-W310 PolarHBondContact O-N 3.3Å; W310-A312 VanDerWaalsContact C-N 3.26Å; W310-A312 PolarHBondContact O-N 3.13Å; W310-G314 WeakPolarHBondContact O-CA 2.96Å; W310-G314 PolarHBondContact O-N 3.48Å; W310-K316 PolarHBondContact O-NZ 3.29Å; W310-M324 HydrophobicContact CH2-CG 4.43Å; W310-M324 HydrophobicContact CH2-SD 3.82Å; W310-M324 HydrophobicContact CZ3-SD 4.04Å
311M83.3Confident83.1Confident33 Ų3380.9 Ų80.916%0.16343%0.426CS..Hα-helixtrans-63.8-30.4174.2-80.1-66.3-69.800113.1T196 W307 K308 E309 K316 M324T196-M311 HydrophobicContact CG2-SD 4.24Å; W307-M311 HydrophobicContact CD2-CG 3.79Å; W307-M311 HydrophobicContact CE3-CG 3.92Å; W307-M311 HydrophobicContact CH2-CE 4.08Å; W307-M311 HydrophobicContact CH2-CG 3.57Å; W307-M311 HydrophobicContact CH2-SD 4.25Å; W307-M311 HydrophobicContact CZ2-CE 4.13Å; W307-M311 HydrophobicContact CZ2-CG 3.43Å; W307-M311 VanDerWaalsContact CZ2-CG 3.43Å; W307-M311 HydrophobicContact CZ2-SD 3.83Å; W307-M311 HydrophobicContact CZ3-CB 4.44Å; W307-M311 HydrophobicContact CZ3-CG 3.81Å; W307-M311 VanDerWaalsContact O-CB 3.31Å; W307-M311 WeakPolarHBondContact O-CB 3.39Å; W307-M311 VanDerWaalsContact O-CG 3.28Å; W307-M311 WeakPolarHBondContact O-CG 3.49Å; W307-M311 PolarHBondContact O-N 3.42Å; K308-M311 PolarHBondContact O-N 3.06Å; E309-M311 VanDerWaalsContact C-N 3.33Å; E309-M311 PolarHBondContact O-N 2.87Å; M311-K316 WeakPolarHBondContact O-CE 3.41Å; M311-K316 PolarHBondContact O-NZ 3.12Å; M311-M324 HydrophobicContact CE-CE 3.89Å; M311-M324 HydrophobicContact CE-SD 4.37Å; M311-M324 HydrophobicContact SD-CE 4.02Å; M311-M324 HydrophobicContact SD-SD 3.71Å
312A82.1Confident81.9Confident36 Ų3682.2 Ų82.230%0.29844%0.44SS..Hα-helixtrans-79.5-49.1176.600000112K308 E309 W310K308-A312 WeakPolarHBondContact O-CB 3.43Å; K308-A312 PolarHBondContact O-N 2.9Å; E309-A312 PolarHBondContact O-N 3.04Å; W310-A312 VanDerWaalsContact C-N 3.26Å; W310-A312 PolarHBondContact O-N 3.13Å
313N86.4Confident80.8Confident128 Ų12883.6 Ų83.668%0.68444%0.444SS*.Hα-helixtrans-118.2-19.7-163.1-56.8-30.3000113.7E309E309-N313 PolarHBondContact O-N 3.23Å
314G81.7Confident79.7Confident19 Ų1982.9 Ų82.920%0.19644%0.441CS..SBendtrans-68.6149.2-177.500000112.6W310 K316W310-G314 WeakPolarHBondContact O-CA 2.96Å; W310-G314 PolarHBondContact O-N 3.48Å; G314-K316 PolarHBondContact O-NZ 3.11Å
315Q81Confident79.3Confident189 Ų18984.4 Ų84.488%0.88345%0.453SS*.  trans-66.3130.4169.6-69.6-179.8-13.700109.6
316K80.9Confident78.9Confident55 Ų5584.4 Ų84.424%0.23946%0.456CS..  trans-119.1118.7-175.9-63.7163.8-174.3790107.7W310 M311 G314 Y318 M324W310-K316 PolarHBondContact O-NZ 3.29Å; M311-K316 WeakPolarHBondContact O-CE 3.41Å; M311-K316 PolarHBondContact O-NZ 3.12Å; G314-K316 PolarHBondContact O-NZ 3.11Å; K316-Y318 HydrophobicContact CB-CE2 3.77Å; K316-M324 HydrophobicContact CB-CG 4.01Å; K316-M324 HydrophobicContact CB-SD 4.01Å; K316-M324 HydrophobicContact CD-CE 3.61Å; K316-M324 HydrophobicContact CD-SD 3.62Å; K316-M324 HydrophobicContact CG-CE 4.22Å; K316-M324 HydrophobicContact CG-CG 4.23Å; K316-M324 HydrophobicContact CG-SD 3.56Å; K316-M324 VanDerWaalsContact CG-SD 3.56Å
317T79.5Confident78.3Confident116 Ų11684.7 Ų84.771%0.71246%0.46SS*.  trans-86.1150.7166.449.60000108.7
318Y75.8Confident77.8Confident122 Ų12287.8 Ų87.848%0.47848%0.481SS..  trans-124.1138.1176.3-66.2-92.8000108.8K316 R323 M324K316-Y318 HydrophobicContact CB-CE2 3.77Å; Y318-R323 CarbonylContact C-O 3.39Å; Y318-R323 VanDerWaalsContact CA-O 3.31Å; Y318-R323 WeakPolarHBondContact CA-O 3.38Å; Y318-M324 HydrophobicContact CD1-CB 4.1Å; Y318-M324 HydrophobicContact CE1-CB 3.82Å; Y318-M324 HydrophobicContact CE1-CE 4.22Å; Y318-M324 HydrophobicContact CE1-CG 4.16Å
319T74.1Confident77.4Confident73 Ų7391.5 Ų91.545%0.44850%0.503SS..  trans-63.7161.2166.564.30000109.9S321 G322 R323T319-S321 PolarHBondContact O-N 3.33Å; T319-S321 PolarHBondContact OG1-OG 2.97Å; T319-G322 PolarHBondContact O-N 2.64Å; T319-R323 PolarHBondContact N-O 3.34Å; T319-R323 PolarHBondContact OG1-N 3.34Å; T319-R323 PolarHBondContact OG1-O 3.13Å
320A72.4Confident76.7Confident122 Ų12290.1 Ų90.1100%1.00850%0.501SS*.THydrogen-bonded Turntrans-54.8-22.2175.200000113.5G322A320-G322 VanDerWaalsContact C-N 3.34Å
321S72Confident76Confident89 Ų8988.8 Ų88.862%0.62251%0.508SS*.THydrogen-bonded Turntrans-85.34.117670.50000115.1T319 R323T319-S321 PolarHBondContact O-N 3.33Å; T319-S321 PolarHBondContact OG1-OG 2.97Å; S321-R323 VanDerWaalsContact C-N 3.3Å; S321-R323 PolarHBondContact O-N 2.99Å
322G62.8Low75.5Confident53 Ų5393.1 Ų93.155%0.54653%0.534SS..SBendtrans78.26.2179.900000115.2T319 A320T319-G322 PolarHBondContact O-N 2.64Å; A320-G322 VanDerWaalsContact C-N 3.34Å
323R65.4Low74.9Confident170 Ų17097.8 Ų97.864%0.64255%0.554SS**  trans-77.9133.9169.4-59.4-176.1-175.2-179.32.1109.8Y318 T319 S321Y318-R323 CarbonylContact C-O 3.39Å; Y318-R323 VanDerWaalsContact CA-O 3.31Å; Y318-R323 WeakPolarHBondContact CA-O 3.38Å; T319-R323 PolarHBondContact N-O 3.34Å; T319-R323 PolarHBondContact OG1-N 3.34Å; T319-R323 PolarHBondContact OG1-O 3.13Å; S321-R323 VanDerWaalsContact C-N 3.3Å; S321-R323 PolarHBondContact O-N 2.99Å
324M67.2Low73.9Confident38 Ų3895.1 Ų95.119%0.18754%0.542CS..  trans-67.10172.5-166.4-177.7-47.300110.4T196 W310 M311 K316 Y318T196-M324 HydrophobicContact CG2-CB 4.08Å; T196-M324 HydrophobicContact CG2-CG 4.14Å; T196-M324 HydrophobicContact CG2-SD 3.75Å; W310-M324 HydrophobicContact CH2-CG 4.43Å; W310-M324 HydrophobicContact CH2-SD 3.82Å; W310-M324 HydrophobicContact CZ3-SD 4.04Å; M311-M324 HydrophobicContact CE-CE 3.89Å; M311-M324 HydrophobicContact CE-SD 4.37Å; M311-M324 HydrophobicContact SD-CE 4.02Å; M311-M324 HydrophobicContact SD-SD 3.71Å; K316-M324 HydrophobicContact CB-CG 4.01Å; K316-M324 HydrophobicContact CB-SD 4.01Å; K316-M324 HydrophobicContact CD-CE 3.61Å; K316-M324 HydrophobicContact CD-SD 3.62Å; K316-M324 HydrophobicContact CG-CE 4.22Å; K316-M324 HydrophobicContact CG-CG 4.23Å; K316-M324 HydrophobicContact CG-SD 3.56Å; K316-M324 VanDerWaalsContact CG-SD 3.56Å; Y318-M324 HydrophobicContact CD1-CB 4.1Å; Y318-M324 HydrophobicContact CE1-CB 3.82Å; Y318-M324 HydrophobicContact CE1-CE 4.22Å; Y318-M324 HydrophobicContact CE1-CG 4.16Å

Retrieved 324 of 324 residues in 234 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).