A0A077Z2N3_TRITR Loading...

Vesicle fusion protein vam vps protein

AlphaFold DB , UniProt , Accession A0A077Z2N3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 897 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
1M55.2Low64.3Low47 Ų4733.9 Ų33.923%0.23220%0.197CC..  0149.20-69.8174.7-172.700107.5L10 A11 T285 A295 L305M1-L10 CarbonylContact C-O 3.54Å; M1-L10 WeakPolarHBondContact CA-O 3.43Å; M1-A11 HydrophobicContact CE-CB 4.07Å; M1-A11 HydrophobicContact CG-CB 3.84Å; M1-A11 HydrophobicContact SD-CB 4.5Å; M1-T285 HydrophobicContact CB-CG2 3.81Å; M1-T285 PolarHBondContact O-OG1 3.31Å; M1-A295 HydrophobicContact CE-CB 3.25Å; M1-A295 HydrophobicContact SD-CB 3.84Å; M1-L305 HydrophobicContact CE-CD2 3.29Å; M1-L305 HydrophobicContact CE-CG 4.49Å; M1-L305 HydrophobicContact SD-CD2 3.34Å; M1-L305 WeakPolarHBondContact SD-CD2 3.49Å
2T57Low65.9Low9 Ų933.5 Ų33.56%0.05521%0.206CC..EExtended strand (participates in β ladder)trans-148.3150.4178.7520000109.8L10 L52 I54T2-L10 PolarHBondContact N-O 3.2Å; T2-L10 PolarHBondContact O-N 2.96Å; T2-L52 HydrophobicContact CG2-CB 3.73Å; T2-L52 WeakPolarHBondContact CG2-O 3.45Å; T2-I54 VanDerWaalsContact OG1-CD1 3.28Å; T2-I54 WeakPolarHBondContact OG1-CD1 3.3Å
3K54.8Low67.3Low48 Ų4833.3 Ų33.321%0.20921%0.205CC..EExtended strand (participates in β ladder)trans-109.3140.3177.3-163.8-162.8169.3-176.90112.1Y8 V9 I54 S288 Y293K3-Y8 WeakPolarHBondContact CA-O 3.41Å; K3-Y8 WeakPolarHBondContact CG-O 3.49Å; K3-V9 HydrophobicContact CG-CG2 4.21Å; K3-I54 VanDerWaalsContact O-CD1 3.25Å; K3-I54 WeakPolarHBondContact O-CD1 3.47Å; K3-S288 PolarHBondContact NZ-OG 2.99Å; K3-Y293 HydrophobicContact CD-CE2 4.28Å
4F56Low68.4Low29 Ų2944.2 Ų44.213%0.12725%0.248CC..EExtended strand (participates in β ladder)trans-93.3150.8170.2-177.3-123.9000111D6 G7 Y8 I54 L74F4-D6 HydrophobicContact CD1-CB 4.06Å; F4-D6 HydrophobicContact CE1-CB 4.11Å; F4-D6 VanDerWaalsContact CE1-OD2 3.32Å; F4-D6 WeakPolarHBondContact CE1-OD2 3.19Å; F4-D6 PolarHBondContact O-N 3.3Å; F4-G7 PolarHBondContact O-N 3.3Å; F4-Y8 HydrophobicContact CD1-CD2 4.36Å; F4-Y8 PolarHBondContact N-O 3.05Å; F4-I54 HydrophobicContact CB-CD1 4.14Å; F4-I54 HydrophobicContact CD2-CG2 4.41Å; F4-L74 HydrophobicContact CD2-CD1 3.95Å; F4-L74 HydrophobicContact CD2-CD2 3.26Å; F4-L74 HydrophobicContact CD2-CG 3.61Å; F4-L74 HydrophobicContact CE2-CD1 4.27Å; F4-L74 HydrophobicContact CE2-CD2 3.19Å; F4-L74 HydrophobicContact CE2-CG 3.45Å; F4-L74 VanDerWaalsContact CE2-CG 3.45Å; F4-L74 HydrophobicContact CG-CD1 4.36Å; F4-L74 HydrophobicContact CG-CD2 4.38Å; F4-L74 HydrophobicContact CG-CG 4.39Å; F4-L74 HydrophobicContact CZ-CD2 4.29Å; F4-L74 HydrophobicContact CZ-CG 4.14Å
5A54.2Low69.3Low77 Ų7745.1 Ų45.164%0.63626%0.258SS*.THydrogen-bonded Turntrans-51.6-28.8-172.800000114.3G7A5-G7 VanDerWaalsContact C-N 3.32Å; A5-G7 PolarHBondContact O-N 2.73Å
6D57.4Low70.1Confident108 Ų10842.3 Ų42.358%0.57824%0.242SC*.THydrogen-bonded Turntrans-88.828.3-174.1-63-19.9000115.5F4 Y8F4-D6 HydrophobicContact CD1-CB 4.06Å; F4-D6 HydrophobicContact CE1-CB 4.11Å; F4-D6 VanDerWaalsContact CE1-OD2 3.32Å; F4-D6 WeakPolarHBondContact CE1-OD2 3.19Å; F4-D6 PolarHBondContact O-N 3.3Å; D6-Y8 VanDerWaalsContact C-N 3.34Å; D6-Y8 HydrophobicContact CB-CD2 3.73Å; D6-Y8 HydrophobicContact CB-CE2 3.75Å; D6-Y8 WeakPolarHBondContact O-CD2 2.83Å; D6-Y8 VanDerWaalsContact O-CE2 3.31Å; D6-Y8 WeakPolarHBondContact O-CE2 3.03Å; D6-Y8 PolarHBondContact O-N 3.34Å
7G63.8Low70.9Confident14 Ų1443.8 Ų43.814%0.14425%0.245CC..THydrogen-bonded Turntrans77.517.4179.100000114.4F4 A5 V23F4-G7 PolarHBondContact O-N 3.3Å; A5-G7 VanDerWaalsContact C-N 3.32Å; A5-G7 PolarHBondContact O-N 2.73Å; G7-V23 PolarHBondContact O-N 3.38Å
8Y71.8Confident71.7Confident31 Ų3141.4 Ų41.412%0.12223%0.232CC..EExtended strand (participates in β ladder)trans-103.9132.1178.9-63-88.8000112.8K3 F4 D6 R20 Y21 R22K3-Y8 WeakPolarHBondContact CA-O 3.41Å; K3-Y8 WeakPolarHBondContact CG-O 3.49Å; F4-Y8 HydrophobicContact CD1-CD2 4.36Å; F4-Y8 PolarHBondContact N-O 3.05Å; D6-Y8 VanDerWaalsContact C-N 3.34Å; D6-Y8 HydrophobicContact CB-CD2 3.73Å; D6-Y8 HydrophobicContact CB-CE2 3.75Å; D6-Y8 WeakPolarHBondContact O-CD2 2.83Å; D6-Y8 VanDerWaalsContact O-CE2 3.31Å; D6-Y8 WeakPolarHBondContact O-CE2 3.03Å; D6-Y8 PolarHBondContact O-N 3.34Å; Y8-R20 HydrophobicContact CD1-CG 3.75Å; Y8-R20 VanDerWaalsContact CD2-NH2 3.32Å; Y8-R20 HydrophobicContact CG-CG 4.29Å; Y8-R20 VanDerWaalsContact CZ-NH2 3.28Å; Y8-Y21 CarbonylContact C-O 3.57Å; Y8-Y21 WeakPolarHBondContact CA-O 3.27Å; Y8-R22 HydrophobicContact CD1-CB 3.69Å; Y8-R22 HydrophobicContact CD1-CG 3.95Å; Y8-R22 HydrophobicContact CE1-CB 3.51Å; Y8-R22 HydrophobicContact CE1-CG 3.53Å
9V74.9Confident72.2Confident2 Ų240.7 Ų40.71%0.01223%0.227CC..EExtended strand (participates in β ladder)trans-100.3128.8171.6-179.20000109.4K3 R20 Y21 V23 Y293K3-V9 HydrophobicContact CG-CG2 4.21Å; V9-R20 WeakPolarHBondContact O-CA 3.38Å; V9-Y21 PolarHBondContact N-O 3.5Å; V9-Y21 PolarHBondContact O-N 3.34Å; V9-V23 HydrophobicContact CG2-CG2 4.17Å; V9-Y293 HydrophobicContact CG2-CD1 3.99Å; V9-Y293 HydrophobicContact CG2-CD2 3.9Å; V9-Y293 HydrophobicContact CG2-CE1 3.77Å; V9-Y293 HydrophobicContact CG2-CE2 3.7Å; V9-Y293 HydrophobicContact CG2-CG 4.04Å
10L80.4Confident72.6Confident3 Ų341.5 Ų41.52%0.01623%0.227CC..EExtended strand (participates in β ladder)trans-102.3129.9174.2-61-178.2000110.5M1 T2 L18 L19 R20 I54 L61 L74 F79M1-L10 CarbonylContact C-O 3.54Å; M1-L10 WeakPolarHBondContact CA-O 3.43Å; T2-L10 PolarHBondContact N-O 3.2Å; T2-L10 PolarHBondContact O-N 2.96Å; L10-L18 HydrophobicContact CB-CD1 4.31Å; L10-L18 HydrophobicContact CD1-CD2 4.37Å; L10-L18 HydrophobicContact CD2-CD2 4.46Å; L10-L19 CarbonylContact C-O 3.6Å; L10-L19 VanDerWaalsContact CA-O 3.28Å; L10-L19 WeakPolarHBondContact CA-O 2.85Å; L10-R20 HydrophobicContact CD2-CB 3.7Å; L10-R20 HydrophobicContact CD2-CG 3.83Å; L10-I54 HydrophobicContact CD1-CD1 3.94Å; L10-I54 HydrophobicContact CG-CD1 4.44Å; L10-L61 HydrophobicContact CD1-CD1 4.11Å; L10-L61 HydrophobicContact CD1-CD2 4.18Å; L10-L74 HydrophobicContact CD1-CD1 4.32Å; L10-F79 HydrophobicContact CD1-CE1 4.27Å; L10-F79 HydrophobicContact CD1-CZ 4.25Å; L10-F79 HydrophobicContact CD2-CE2 4.43Å; L10-F79 HydrophobicContact CD2-CZ 3.93Å
11A81.6Confident72.7Confident5 Ų541.9 Ų41.94%0.04123%0.225CC..EExtended strand (participates in β ladder)trans-127123.3175.800000110.8M1 L19 Y21M1-A11 HydrophobicContact CE-CB 4.07Å; M1-A11 HydrophobicContact CG-CB 3.84Å; M1-A11 HydrophobicContact SD-CB 4.5Å; A11-L19 HydrophobicContact CB-CB 4.28Å; A11-L19 PolarHBondContact N-O 2.86Å; A11-L19 PolarHBondContact O-N 3.17Å; A11-Y21 HydrophobicContact CB-CE2 4.2Å
12G83.9Confident73.4Confident29 Ų2944.2 Ų44.230%0.29923%0.232SC..EExtended strand (participates in β ladder)trans-84.913817300000110.9
13T83.7Confident73.7Confident31 Ų3146.4 Ų46.419%0.1925%0.245CC..  trans-102.1162.2178.772.50000112S15 G16 F17 L19 V49T13-S15 PolarHBondContact O-N 3.07Å; T13-S15 PolarHBondContact OG1-N 3.27Å; T13-S15 PolarHBondContact OG1-OG 2.91Å; T13-G16 PolarHBondContact O-N 3.17Å; T13-G16 PolarHBondContact OG1-N 3.12Å; T13-F17 HydrophobicContact CG2-CB 4.29Å; T13-F17 PolarHBondContact N-O 2.71Å; T13-F17 WeakPolarHBondContact OG1-CB 3.3Å; T13-F17 PolarHBondContact OG1-N 2.8Å; T13-F17 PolarHBondContact OG1-O 3.21Å; T13-L19 HydrophobicContact CG2-CD1 3.72Å; T13-L19 HydrophobicContact CG2-CD2 4.29Å; T13-L19 HydrophobicContact CG2-CG 3.81Å; T13-V49 PolarHBondContact O-N 2.73Å
14K82.2Confident73.7Confident186 Ų18652.4 Ų52.481%0.80927%0.266SS*.THydrogen-bonded Turntrans-60.8-21.7170.3-68.8-175.4176.2-175.60113.4G16 P48K14-G16 VanDerWaalsContact C-N 3.32Å; K14-P48 WeakPolarHBondContact O-CA 3.11Å; K14-P48 WeakPolarHBondContact O-CB 3.46Å
15S82.3Confident73.4Confident58 Ų5855.1 Ų55.141%0.40629%0.289SS..THydrogen-bonded Turntrans-86.5-1.4176.660.80000113.6T13 F17T13-S15 PolarHBondContact O-N 3.07Å; T13-S15 PolarHBondContact OG1-N 3.27Å; T13-S15 PolarHBondContact OG1-OG 2.91Å; S15-F17 WeakPolarHBondContact OG-CD2 3.43Å; S15-F17 VanDerWaalsContact OG-CE2 3.28Å; S15-F17 WeakPolarHBondContact OG-CE2 3.38Å; S15-F17 WeakPolarHBondContact OG-CG 3.48Å
16G81.7Confident73.2Confident0 Ų055.9 Ų55.90%028%0.281CS..SBendtrans87.25.6-178.700000115.3T13 K14 S45 K47T13-G16 PolarHBondContact O-N 3.17Å; T13-G16 PolarHBondContact OG1-N 3.12Å; K14-G16 VanDerWaalsContact C-N 3.32Å; G16-S45 CarbonylContact C-O 3.49Å; G16-S45 VanDerWaalsContact C-O 3.3Å; G16-S45 WeakPolarHBondContact CA-O 3.3Å; G16-S45 PolarHBondContact O-N 3.14Å; G16-K47 WeakPolarHBondContact CA-O 3.43Å
17F85.1Confident72.6Confident68 Ų6857.8 Ų57.830%0.29829%0.291SS..  trans-81.4147.1177.4-52.4-27.2000110.4T13 S15 V40 K42T13-F17 HydrophobicContact CG2-CB 4.29Å; T13-F17 PolarHBondContact N-O 2.71Å; T13-F17 WeakPolarHBondContact OG1-CB 3.3Å; T13-F17 PolarHBondContact OG1-N 2.8Å; T13-F17 PolarHBondContact OG1-O 3.21Å; S15-F17 WeakPolarHBondContact OG-CD2 3.43Å; S15-F17 VanDerWaalsContact OG-CE2 3.28Å; S15-F17 WeakPolarHBondContact OG-CE2 3.38Å; S15-F17 WeakPolarHBondContact OG-CG 3.48Å; F17-V40 HydrophobicContact CB-CG1 4.35Å; F17-K42 HydrophobicContact CD1-CB 4.12Å; F17-K42 HydrophobicContact CD1-CG 4.37Å; F17-K42 HydrophobicContact CE1-CB 4.07Å; F17-K42 HydrophobicContact CE1-CG 4.35Å; F17-K42 HydrophobicContact CG-CG 4.49Å; F17-K42 HydrophobicContact CZ-CG 4.47Å
18L83.9Confident71.3Confident1 Ų163.1 Ų63.11%0.00532%0.317CS..EExtended strand (participates in β ladder)trans-106.9119.4170.9-166.470.2000108.9L10 C41 F44 L52 L61 F79L10-L18 HydrophobicContact CB-CD1 4.31Å; L10-L18 HydrophobicContact CD1-CD2 4.37Å; L10-L18 HydrophobicContact CD2-CD2 4.46Å; L18-C41 HydrophobicContact CB-CB 4.24Å; L18-C41 PolarHBondContact N-O 2.98Å; L18-C41 PolarHBondContact O-N 2.88Å; L18-F44 HydrophobicContact CB-CB 4Å; L18-F44 HydrophobicContact CB-CD1 4.09Å; L18-F44 HydrophobicContact CB-CD2 4.26Å; L18-F44 HydrophobicContact CB-CG 3.85Å; L18-F44 HydrophobicContact CD2-CD2 3.98Å; L18-F44 HydrophobicContact CD2-CE2 3.99Å; L18-F44 HydrophobicContact CD2-CG 4.37Å; L18-F44 HydrophobicContact CD2-CZ 4.4Å; L18-L52 HydrophobicContact CD1-CD1 3.58Å; L18-L52 HydrophobicContact CD1-CD2 4.18Å; L18-L61 HydrophobicContact CD2-CD2 3.76Å; L18-F79 HydrophobicContact CD2-CD2 3.52Å; L18-F79 HydrophobicContact CD2-CE2 3.67Å; L18-F79 HydrophobicContact CD2-CG 4.06Å; L18-F79 HydrophobicContact CD2-CZ 4.33Å
19L82.4Confident69.6Low27 Ų2767.9 Ų67.914%0.14135%0.354CS..EExtended strand (participates in β ladder)trans-96129.2177.6-51.8179.1000108.5L10 A11 T13 Y21 F38 V40L10-L19 CarbonylContact C-O 3.6Å; L10-L19 VanDerWaalsContact CA-O 3.28Å; L10-L19 WeakPolarHBondContact CA-O 2.85Å; A11-L19 HydrophobicContact CB-CB 4.28Å; A11-L19 PolarHBondContact N-O 2.86Å; A11-L19 PolarHBondContact O-N 3.17Å; T13-L19 HydrophobicContact CG2-CD1 3.72Å; T13-L19 HydrophobicContact CG2-CD2 4.29Å; T13-L19 HydrophobicContact CG2-CG 3.81Å; L19-Y21 HydrophobicContact CB-CD2 4.34Å; L19-Y21 HydrophobicContact CB-CE2 3.59Å; L19-Y21 HydrophobicContact CD1-CE2 4.22Å; L19-Y21 WeakPolarHBondContact CD1-OH 3.27Å; L19-F38 HydrophobicContact CB-CE2 4.08Å; L19-F38 HydrophobicContact CD1-CE2 4.37Å; L19-F38 HydrophobicContact CD2-CE2 4Å; L19-F38 HydrophobicContact CD2-CZ 3.82Å; L19-F38 HydrophobicContact CG-CE2 4.38Å; L19-V40 HydrophobicContact CD2-CB 4.3Å; L19-V40 HydrophobicContact CD2-CG1 3.89Å; L19-V40 HydrophobicContact CD2-CG2 3.84Å
20R78.9Confident67.6Low56 Ų5675.1 Ų75.121%0.21139%0.392CS..EExtended strand (participates in β ladder)trans-111.8122173.9-179.6-177.5-178.5174.15108.7Y8 V9 L10 F38 Q39Y8-R20 HydrophobicContact CD1-CG 3.75Å; Y8-R20 VanDerWaalsContact CD2-NH2 3.32Å; Y8-R20 HydrophobicContact CG-CG 4.29Å; Y8-R20 VanDerWaalsContact CZ-NH2 3.28Å; V9-R20 WeakPolarHBondContact O-CA 3.38Å; L10-R20 HydrophobicContact CD2-CB 3.7Å; L10-R20 HydrophobicContact CD2-CG 3.83Å; R20-F38 WeakPolarHBondContact O-CA 3.45Å; R20-Q39 HydrophobicContact CB-CB 4.21Å; R20-Q39 PolarHBondContact N-O 3.17Å; R20-Q39 PolarHBondContact O-N 3.49Å
21Y75Confident65.3Low50 Ų5078.2 Ų78.220%0.19643%0.425CS..EExtended strand (participates in β ladder)trans-111.5135.4175.3-61.6-91.3000108.9Y8 V9 A11 L19 F38 L305Y8-Y21 CarbonylContact C-O 3.57Å; Y8-Y21 WeakPolarHBondContact CA-O 3.27Å; V9-Y21 PolarHBondContact N-O 3.5Å; V9-Y21 PolarHBondContact O-N 3.34Å; A11-Y21 HydrophobicContact CB-CE2 4.2Å; L19-Y21 HydrophobicContact CB-CD2 4.34Å; L19-Y21 HydrophobicContact CB-CE2 3.59Å; L19-Y21 HydrophobicContact CD1-CE2 4.22Å; L19-Y21 WeakPolarHBondContact CD1-OH 3.27Å; Y21-F38 AromaticContact CD1-CD2 3.84Å; Y21-F38 HydrophobicContact CD1-CD2 3.84Å; Y21-F38 HydrophobicContact CD1-CE2 4.38Å; Y21-F38 AromaticContact CE1-CD2 3.48Å; Y21-F38 HydrophobicContact CE1-CD2 3.48Å; Y21-F38 VanDerWaalsContact CE1-CD2 3.48Å; Y21-F38 AromaticContact CE1-CE2 3.62Å; Y21-F38 HydrophobicContact CE1-CE2 3.62Å; Y21-F38 HydrophobicContact CE2-CE2 4.27Å; Y21-F38 AromaticContact CZ-CD2 3.88Å; Y21-F38 AromaticContact CZ-CE2 3.56Å; Y21-L305 HydrophobicContact CD1-CD1 4.12Å; Y21-L305 HydrophobicContact CD2-CD1 3.77Å; Y21-L305 HydrophobicContact CE1-CD1 3.8Å; Y21-L305 HydrophobicContact CE2-CD1 3.43Å; Y21-L305 VanDerWaalsContact CE2-CD1 3.43Å; Y21-L305 HydrophobicContact CG-CD1 4.1Å; Y21-L305 VanDerWaalsContact CZ-CD1 3.43Å
22R70.5Confident63Low97 Ų9785.5 Ų85.537%0.36646%0.456SS..EExtended strand (participates in β ladder)trans-98131.4169.3-167.2177.8-178.51731.7109.9Y8 D37Y8-R22 HydrophobicContact CD1-CB 3.69Å; Y8-R22 HydrophobicContact CD1-CG 3.95Å; Y8-R22 HydrophobicContact CE1-CB 3.51Å; Y8-R22 HydrophobicContact CE1-CG 3.53Å; R22-D37 HydrophobicContact CB-CB 3.75Å; R22-D37 PolarHBondContact N-O 3.37Å; R22-D37 IonicContact NH1-OD2 3.57Å; R22-D37 PolarHBondContact NH1-OD2 3.04Å
23V62.5Low60.6Low55 Ų5590 Ų9033%0.33347%0.473SS..  trans-114.3113.2176.2-172.20000107.6G7 V9 Y293G7-V23 PolarHBondContact O-N 3.38Å; V9-V23 HydrophobicContact CG2-CG2 4.17Å; V23-Y293 HydrophobicContact CG1-CE1 4.49Å; V23-Y293 HydrophobicContact CG2-CE1 3.8Å
24R55.4Low58.7Low173 Ų17391.1 Ų91.165%0.65349%0.486SS*.  trans-88.1139.8172.3-68.3-173.1-177.5-177.53.4109.2
25S50.1Low56.7Low87 Ų8790.1 Ų90.161%0.60848%0.484SS*.  trans-65.4149.7175-171.90000110.9D27S25-D27 PolarHBondContact O-N 3.36Å; S25-D27 VanDerWaalsContact O-N 3.1Å
26I48.8Very low55.2Low92 Ų9293.2 Ų93.247%0.47249%0.492SS..THydrogen-bonded Turntrans-7712.5-165.8-63.5161.5000113.8D28 F32 F307I26-D28 PolarHBondContact O-N 3.09Å; I26-F32 HydrophobicContact CD1-CZ 4.25Å; I26-F32 HydrophobicContact CG1-CZ 4.44Å; I26-F307 HydrophobicContact CD1-CE2 4.16Å; I26-F307 HydrophobicContact CD1-CZ 4.4Å
27D45.3Very low53.9Low149 Ų14997.3 Ų97.380%0.79751%0.513SS*.THydrogen-bonded Turntrans-73.6-7.9-177.4-73.3-31.4000114.4S25 S29S25-D27 PolarHBondContact O-N 3.36Å; S25-D27 VanDerWaalsContact O-N 3.1Å; D27-S29 PolarHBondContact O-N 3.37Å
28D37.1Very low53Low126 Ų12698.7 Ų98.767%0.67452%0.52SS*.SBendtrans-86.3104.5170.1-75.8-25.8000109.8I26 L30I26-D28 PolarHBondContact O-N 3.09Å; D28-L30 PolarHBondContact O-N 2.84Å
29S36.2Very low52.5Low130 Ų130103.4 Ų103.491%0.90954%0.541SS*.SBendtrans-59.424.1175.552.60000116.3D27D27-S29 PolarHBondContact O-N 3.37Å
30L33.3Very low52.3Low154 Ų154104.7 Ų104.781%0.80655%0.55SS**SBendtrans-117.7115.4172.4-74.2155000106.8D28D28-L30 PolarHBondContact O-N 2.84Å
31G31.9Very low52.5Low68 Ų68102.6 Ų102.670%0.70154%0.544SS*.  trans-45.6154.6-165.600000115.5D33G31-D33 PolarHBondContact O-N 3Å
32F33.1Very low52.7Low158 Ų158107.1 Ų107.169%0.69357%0.565SS**  trans-26.777.3172.3-93.1-91.7000114.2I26 F307I26-F32 HydrophobicContact CD1-CZ 4.25Å; I26-F32 HydrophobicContact CG1-CZ 4.44Å; F32-F307 AromaticContact CE1-CE1 3.6Å; F32-F307 HydrophobicContact CE1-CE1 3.6Å; F32-F307 AromaticContact CE1-CZ 3.86Å; F32-F307 HydrophobicContact CE1-CZ 3.86Å; F32-F307 HydrophobicContact CE2-CZ 4.48Å; F32-F307 AromaticContact CZ-CE1 3.66Å; F32-F307 HydrophobicContact CZ-CE1 3.66Å; F32-F307 HydrophobicContact CZ-CE2 4.49Å; F32-F307 AromaticContact CZ-CZ 3.39Å; F32-F307 HydrophobicContact CZ-CZ 3.39Å
33D33.7Very low53.2Low123 Ų123107.5 Ų107.566%0.65858%0.578SS**  trans-107.286.1163.3-155.222.1000104.1G31 Q35G31-D33 PolarHBondContact O-N 3Å; D33-Q35 PolarHBondContact O-N 3.45Å
34A42.9Very low54.1Low56 Ų56105.9 Ų105.946%0.46357%0.567SS.*  trans-62.680.1167.500000107.1H36A34-H36 WeakPolarHBondContact CB-CE1 3.34Å; A34-H36 PolarHBondContact O-CE1 2.86Å; A34-H36 PolarHBondContact O-N 3.39Å; A34-H36 PolarHBondContact O-ND1 2.8Å
35Q41.2Very low55.4Low165 Ų16598.3 Ų98.377%0.77154%0.54SS*.  trans-72.783.4158.3-75.1-171.72.800105.6D33 D37D33-Q35 PolarHBondContact O-N 3.45Å; Q35-D37 PolarHBondContact O-N 3.12Å; Q35-D37 VanDerWaalsContact O-N 3.11Å
36H49.7Very low56.8Low123 Ų123104.1 Ų104.157%0.56956%0.555SS**  trans-61.2111.9-177.3-60.778.6000108.6A34 F38A34-H36 WeakPolarHBondContact CB-CE1 3.34Å; A34-H36 PolarHBondContact O-CE1 2.86Å; A34-H36 PolarHBondContact O-N 3.39Å; A34-H36 PolarHBondContact O-ND1 2.8Å; H36-F38 HydrophobicContact CB-CB 3.81Å; H36-F38 PolarHBondContact O-N 2.85Å
37D54.8Low58.6Low85 Ų85104.2 Ų104.246%0.45555%0.552SS.*  trans-67.175.5147.7-99.7-27.3000106.1R22 Q35R22-D37 HydrophobicContact CB-CB 3.75Å; R22-D37 PolarHBondContact N-O 3.37Å; R22-D37 IonicContact NH1-OD2 3.57Å; R22-D37 PolarHBondContact NH1-OD2 3.04Å; Q35-D37 PolarHBondContact O-N 3.12Å; Q35-D37 VanDerWaalsContact O-N 3.11Å
38F66.5Low60.5Low98 Ų98100.1 Ų100.143%0.4353%0.533SS..  trans-94.2108.8175.9174.9-109.9000108.2L19 R20 Y21 H36 V40L19-F38 HydrophobicContact CB-CE2 4.08Å; L19-F38 HydrophobicContact CD1-CE2 4.37Å; L19-F38 HydrophobicContact CD2-CE2 4Å; L19-F38 HydrophobicContact CD2-CZ 3.82Å; L19-F38 HydrophobicContact CG-CE2 4.38Å; R20-F38 WeakPolarHBondContact O-CA 3.45Å; Y21-F38 AromaticContact CD1-CD2 3.84Å; Y21-F38 HydrophobicContact CD1-CD2 3.84Å; Y21-F38 HydrophobicContact CD1-CE2 4.38Å; Y21-F38 AromaticContact CE1-CD2 3.48Å; Y21-F38 HydrophobicContact CE1-CD2 3.48Å; Y21-F38 VanDerWaalsContact CE1-CD2 3.48Å; Y21-F38 AromaticContact CE1-CE2 3.62Å; Y21-F38 HydrophobicContact CE1-CE2 3.62Å; Y21-F38 HydrophobicContact CE2-CE2 4.27Å; Y21-F38 AromaticContact CZ-CD2 3.88Å; Y21-F38 AromaticContact CZ-CE2 3.56Å; H36-F38 HydrophobicContact CB-CB 3.81Å; H36-F38 PolarHBondContact O-N 2.85Å; F38-V40 HydrophobicContact CD1-CG2 3.92Å; F38-V40 HydrophobicContact CE1-CG2 3.14Å; F38-V40 HydrophobicContact CE2-CG2 4.21Å; F38-V40 HydrophobicContact CZ-CG2 3.33Å
39Q73.5Confident62.8Low99 Ų9994.8 Ų94.846%0.46351%0.505SS..EExtended strand (participates in β ladder)trans-112.8125.3178.4-164.4179.325.800109.9R20R20-Q39 HydrophobicContact CB-CB 4.21Å; R20-Q39 PolarHBondContact N-O 3.17Å; R20-Q39 PolarHBondContact O-N 3.49Å
40V78.8Confident65.2Low54 Ų5493.2 Ų93.233%0.32749%0.49SS..EExtended strand (participates in β ladder)trans-103.1112.6176.6-174.90000109.6F17 L19 F38 K42F17-V40 HydrophobicContact CB-CG1 4.35Å; L19-V40 HydrophobicContact CD2-CB 4.3Å; L19-V40 HydrophobicContact CD2-CG1 3.89Å; L19-V40 HydrophobicContact CD2-CG2 3.84Å; F38-V40 HydrophobicContact CD1-CG2 3.92Å; F38-V40 HydrophobicContact CE1-CG2 3.14Å; F38-V40 HydrophobicContact CE2-CG2 4.21Å; F38-V40 HydrophobicContact CZ-CG2 3.33Å; V40-K42 HydrophobicContact CG1-CG 3.74Å; V40-K42 PolarHBondContact O-N 3.18Å
41C82.2Confident67.8Low12 Ų1288.8 Ų88.88%0.08147%0.465CS..EExtended strand (participates in β ladder)trans-86.891.6168.6-166.20000109.6L18 T43 F44 K78L18-C41 HydrophobicContact CB-CB 4.24Å; L18-C41 PolarHBondContact N-O 2.98Å; L18-C41 PolarHBondContact O-N 2.88Å; C41-T43 PolarHBondContact O-N 2.64Å; C41-F44 HydrophobicContact CB-CB 4.36Å; C41-K78 PolarHBondContact SG-O 3.4Å; C41-K78 VanDerWaalsContact SG-O 3.4Å
42K80.3Confident70.5Confident145 Ų14586.3 Ų86.363%0.6344%0.436SS*.THydrogen-bonded Turntrans-71.8-18.1176.6-64.1-176.4-179.3176.90113.4F17 V40F17-K42 HydrophobicContact CD1-CB 4.12Å; F17-K42 HydrophobicContact CD1-CG 4.37Å; F17-K42 HydrophobicContact CE1-CB 4.07Å; F17-K42 HydrophobicContact CE1-CG 4.35Å; F17-K42 HydrophobicContact CG-CG 4.49Å; F17-K42 HydrophobicContact CZ-CG 4.47Å; V40-K42 HydrophobicContact CG1-CG 3.74Å; V40-K42 PolarHBondContact O-N 3.18Å
43T80.5Confident73.1Confident106 Ų10683.3 Ų83.365%0.6542%0.422SS*.THydrogen-bonded Turntrans-93.43.1-176.651.70000113.6C41C41-T43 PolarHBondContact O-N 2.64Å
44F81.8Confident75.5Confident20 Ų2078 Ų789%0.08839%0.394CS..SBendtrans-65.3-63.4-175.8-176.2-102.5000111.9L18 C41 V49 L61 H72 F79L18-F44 HydrophobicContact CB-CB 4Å; L18-F44 HydrophobicContact CB-CD1 4.09Å; L18-F44 HydrophobicContact CB-CD2 4.26Å; L18-F44 HydrophobicContact CB-CG 3.85Å; L18-F44 HydrophobicContact CD2-CD2 3.98Å; L18-F44 HydrophobicContact CD2-CE2 3.99Å; L18-F44 HydrophobicContact CD2-CG 4.37Å; L18-F44 HydrophobicContact CD2-CZ 4.4Å; C41-F44 HydrophobicContact CB-CB 4.36Å; F44-V49 HydrophobicContact CD1-CG2 3.99Å; F44-V49 HydrophobicContact CE1-CG2 3.89Å; F44-L61 HydrophobicContact CE2-CD2 4.06Å; F44-L61 HydrophobicContact CZ-CD2 4.24Å; F44-H72 HydrophobicContact CE2-CB 4.41Å; F44-H72 AromaticContact CE2-CD2 3.56Å; F44-H72 AromaticContact CE2-CE1 3.74Å; F44-H72 AromaticContact CE2-CG 3.69Å; F44-H72 AromaticContact CE2-ND1 3.81Å; F44-H72 AromaticContact CE2-NE2 3.6Å; F44-H72 AromaticContact CZ-CE1 3.5Å; F44-H72 AromaticContact CZ-ND1 3.69Å; F44-H72 AromaticContact CZ-NE2 3.79Å; F44-F79 HydrophobicContact CD2-CB 4.14Å; F44-F79 HydrophobicContact CE2-CB 4.09Å
45S81.2Confident77.5Confident15 Ų1576 Ų7611%0.10538%0.376CS..  trans-139.4151.7173.2-173.40000111G16 K47G16-S45 CarbonylContact C-O 3.49Å; G16-S45 VanDerWaalsContact C-O 3.3Å; G16-S45 WeakPolarHBondContact CA-O 3.3Å; G16-S45 PolarHBondContact O-N 3.14Å; S45-K47 VanDerWaalsContact C-N 3.3Å; S45-K47 PolarHBondContact OG-N 3.48Å; S45-K47 VanDerWaalsContact OG-N 3.14Å; S45-K47 PolarHBondContact OG-O 3.39Å
46K80.3Confident79.1Confident208 Ų20871.5 Ų71.590%0.90436%0.361SS*.SBendtrans-86.9-5.1169.7-64.1-176-178.4178.60112.2
47K86Confident80.5Confident95 Ų9572 Ų7241%0.41336%0.363SS..SBendtrans-123.4155.2-171.7-65.3-171.5-177.7175.30109.9G16 S45 V49 D66G16-K47 WeakPolarHBondContact CA-O 3.43Å; S45-K47 VanDerWaalsContact C-N 3.3Å; S45-K47 PolarHBondContact OG-N 3.48Å; S45-K47 VanDerWaalsContact OG-N 3.14Å; S45-K47 PolarHBondContact OG-O 3.39Å; K47-V49 PolarHBondContact O-N 3.42Å; K47-D66 HydrophobicContact CB-CB 4.29Å; K47-D66 HydrophobicContact CD-CB 3.36Å; K47-D66 HydrophobicContact CG-CB 4.46Å; K47-D66 VanDerWaalsContact NZ-CG 3.32Å; K47-D66 IonicContact NZ-OD1 3.92Å; K47-D66 IonicContact NZ-OD2 2.56Å; K47-D66 PolarHBondContact NZ-OD2 3.21Å
48P84.7Confident81.7Confident62 Ų6269.9 Ų69.940%0.40336%0.355SS..  trans-57.5133.7-17721.2-33.3000112.2K14K14-P48 WeakPolarHBondContact O-CA 3.11Å; K14-P48 WeakPolarHBondContact O-CB 3.46Å
49V86.3Confident82.5Confident15 Ų1566.7 Ų66.79%0.09135%0.345CS..EExtended strand (participates in β ladder)trans-86112.9170.6-176.80000108.3T13 F44 K47 L52 T65T13-V49 PolarHBondContact O-N 2.73Å; F44-V49 HydrophobicContact CD1-CG2 3.99Å; F44-V49 HydrophobicContact CE1-CG2 3.89Å; K47-V49 PolarHBondContact O-N 3.42Å; V49-L52 HydrophobicContact CG1-CD1 4.02Å; V49-L52 HydrophobicContact CG1-CD2 3.7Å; V49-L52 HydrophobicContact CG1-CG 3.6Å; V49-T65 HydrophobicContact CB-CG2 4.49Å; V49-T65 HydrophobicContact CG2-CG2 3.98Å
50T86.1Confident83.2Confident97 Ų9762 Ų6260%0.59532%0.323SS*.EExtended strand (participates in β ladder)trans-93.6-34.5-176.2540000112.9L64T50-L64 PolarHBondContact N-O 2.95Å; T50-L64 VanDerWaalsContact OG1-CD2 3.28Å; T50-L64 WeakPolarHBondContact OG1-CD2 3.37Å; T50-L64 VanDerWaalsContact OG1-CG 3.24Å; T50-L64 WeakPolarHBondContact OG1-CG 3.41Å; T50-L64 PolarHBondContact OG1-O 3.41Å; T50-L64 VanDerWaalsContact OG1-O 3.12Å
51Q87.8Confident83.6Confident61 Ų6159.4 Ų59.429%0.28531%0.307SS..EExtended strand (participates in β ladder)trans-141.9144.3179-166179.34.200110.3S63 L64 C93 F94Q51-S63 WeakPolarHBondContact O-CA 3.2Å; Q51-L64 HydrophobicContact CB-CB 3.9Å; Q51-L64 HydrophobicContact CB-CD2 4.27Å; Q51-L64 PolarHBondContact O-N 3.07Å; Q51-C93 VanDerWaalsContact OE1-CA 3.3Å; Q51-F94 HydrophobicContact CB-CD1 4.4Å; Q51-F94 HydrophobicContact CB-CE1 3.88Å; Q51-F94 HydrophobicContact CG-CD1 4.29Å; Q51-F94 HydrophobicContact CG-CE1 3.8Å; Q51-F94 HydrophobicContact CG-CZ 4.23Å; Q51-F94 PolarHBondContact NE2-O 3.2Å; Q51-F94 VanDerWaalsContact OE1-CD1 3.3Å
52L88.7Confident84Confident15 Ų1558.9 Ų58.98%0.07930%0.304CS..EExtended strand (participates in β ladder)trans-131.1145174.4-72.5166.7000108.8T2 L18 V49 L61 L62T2-L52 HydrophobicContact CG2-CB 3.73Å; T2-L52 WeakPolarHBondContact CG2-O 3.45Å; L18-L52 HydrophobicContact CD1-CD1 3.58Å; L18-L52 HydrophobicContact CD1-CD2 4.18Å; V49-L52 HydrophobicContact CG1-CD1 4.02Å; V49-L52 HydrophobicContact CG1-CD2 3.7Å; V49-L52 HydrophobicContact CG1-CG 3.6Å; L52-L61 HydrophobicContact CD2-CD1 4.16Å; L52-L62 CarbonylContact C-O 3.52Å; L52-L62 WeakPolarHBondContact CA-O 3.35Å
53K87.3Confident84.5Confident95 Ų9552 Ų5241%0.41327%0.274SS..EExtended strand (participates in β ladder)trans-144.4137.5168.9-172.565.3170.9-178.20109.1L62 F94 T96K53-L62 HydrophobicContact CB-CB 4.34Å; K53-L62 PolarHBondContact N-O 3.34Å; K53-L62 PolarHBondContact O-N 3.43Å; K53-F94 HydrophobicContact CB-CE2 3.48Å; K53-F94 VanDerWaalsContact CB-CE2 3.48Å; K53-F94 HydrophobicContact CB-CZ 3.73Å; K53-F94 HydrophobicContact CG-CE2 4.32Å; K53-T96 WeakPolarHBondContact CE-OG1 3.19Å
54I85.4Confident85Confident13 Ų1347 Ų477%0.06724%0.243CC..EExtended strand (participates in β ladder)trans-103.6137.3174-68.8163.7000108.2T2 K3 F4 L10 L61 L74T2-I54 VanDerWaalsContact OG1-CD1 3.28Å; T2-I54 WeakPolarHBondContact OG1-CD1 3.3Å; K3-I54 VanDerWaalsContact O-CD1 3.25Å; K3-I54 WeakPolarHBondContact O-CD1 3.47Å; F4-I54 HydrophobicContact CB-CD1 4.14Å; F4-I54 HydrophobicContact CD2-CG2 4.41Å; L10-I54 HydrophobicContact CD1-CD1 3.94Å; L10-I54 HydrophobicContact CG-CD1 4.44Å; I54-L61 HydrophobicContact CG1-CD1 3.64Å; I54-L74 HydrophobicContact CG2-CD2 3.58Å
55L83.9Confident85.4Confident13 Ų1346.2 Ų46.27%0.06824%0.24CC..EExtended strand (participates in β ladder)trans-111.193.3169.4-60176.4000106.9E57 S59 L60 L62 T96 I117 F137L55-E57 PolarHBondContact O-N 3.28Å; L55-S59 PolarHBondContact O-N 3.4Å; L55-S59 VanDerWaalsContact O-N 3.08Å; L55-L60 HydrophobicContact CB-CB 4.31Å; L55-L60 HydrophobicContact CD1-CB 4.46Å; L55-L60 PolarHBondContact N-O 3.14Å; L55-L60 PolarHBondContact O-N 3.18Å; L55-L60 VanDerWaalsContact O-N 3.08Å; L55-L62 HydrophobicContact CD1-CD1 4.05Å; L55-L62 HydrophobicContact CD1-CG 4.34Å; L55-L62 HydrophobicContact CG-CD1 4.5Å; L55-T96 HydrophobicContact CD2-CG2 4.3Å; L55-I117 HydrophobicContact CB-CD1 4.4Å; L55-I117 HydrophobicContact CD1-CD1 4.12Å; L55-I117 HydrophobicContact CD1-CG2 4.08Å; L55-I117 HydrophobicContact CD2-CD1 4.34Å; L55-I117 HydrophobicContact CD2-CG2 4.24Å; L55-F137 HydrophobicContact CD1-CZ 4.07Å
56P76.5Confident85.6Confident71 Ų7150.2 Ų50.246%0.46126%0.26SS..THydrogen-bonded Turntrans-65.1-40-171.323.9-31000111.9S58 S59P56-S58 PolarHBondContact O-N 3.02Å; P56-S59 PolarHBondContact O-N 2.96Å; P56-S59 VanDerWaalsContact O-N 3.14Å
57E77.5Confident85.9Confident133 Ų13341 Ų4162%0.62123%0.225SC*.THydrogen-bonded Turntrans-63.2-41.4-177.8-56.5-166.4154.800112.3L55 S59L55-E57 PolarHBondContact O-N 3.28Å; E57-S59 VanDerWaalsContact C-N 3.34Å
58S79.7Confident86.2Confident40 Ų4038 Ų3828%0.2821%0.214SC..THydrogen-bonded Turntrans-87.2-3177.4-43.70000113.7P56 L60 I117 L132P56-S58 PolarHBondContact O-N 3.02Å; S58-L60 VanDerWaalsContact C-N 3.29Å; S58-L60 WeakPolarHBondContact O-CG 3.49Å; S58-L60 PolarHBondContact O-N 2.88Å; S58-I117 WeakPolarHBondContact OG-CD1 3.43Å; S58-L132 WeakPolarHBondContact OG-CD2 3.3Å
59S83.7Confident86.5Confident31 Ų3135 Ų3522%0.21720%0.195CC..THydrogen-bonded Turntrans53.341.7-172.1-57.60000113.6L55 P56 E57 L74 N75L55-S59 PolarHBondContact O-N 3.4Å; L55-S59 VanDerWaalsContact O-N 3.08Å; P56-S59 PolarHBondContact O-N 2.96Å; P56-S59 VanDerWaalsContact O-N 3.14Å; E57-S59 VanDerWaalsContact C-N 3.34Å; S59-L74 VanDerWaalsContact C-CB 3.48Å; S59-L74 WeakPolarHBondContact O-CB 3.3Å; S59-L74 PolarHBondContact O-N 3.3Å; S59-N75 WeakPolarHBondContact CB-ND2 3.49Å; S59-N75 PolarHBondContact OG-ND2 3.44Å; S59-N75 VanDerWaalsContact OG-ND2 3.11Å
60L87.6Confident86.7Confident1 Ų136 Ų361%0.00520%0.199CC..EExtended strand (participates in β ladder)trans-114.8145-178.7-58.9176.6000112L55 S58 V71 L82 L132L55-L60 HydrophobicContact CB-CB 4.31Å; L55-L60 HydrophobicContact CD1-CB 4.46Å; L55-L60 PolarHBondContact N-O 3.14Å; L55-L60 PolarHBondContact O-N 3.18Å; L55-L60 VanDerWaalsContact O-N 3.08Å; S58-L60 VanDerWaalsContact C-N 3.29Å; S58-L60 WeakPolarHBondContact O-CG 3.49Å; S58-L60 PolarHBondContact O-N 2.88Å; L60-V71 HydrophobicContact CB-CG1 4.34Å; L60-V71 HydrophobicContact CD1-CG1 4.14Å; L60-V71 HydrophobicContact CD2-CG1 4.01Å; L60-V71 HydrophobicContact CG-CG1 4.39Å; L60-L82 HydrophobicContact CD2-CD1 3.52Å; L60-L132 HydrophobicContact CD1-CD1 3.77Å; L60-L132 HydrophobicContact CD1-CD2 4.05Å
61L88.1Confident86.9Confident0 Ų031.4 Ų31.40%017%0.17CC..EExtended strand (participates in β ladder)trans-115.4117170.917469.4000109.7L10 L18 F44 L52 I54 H72 L74 F79L10-L61 HydrophobicContact CD1-CD1 4.11Å; L10-L61 HydrophobicContact CD1-CD2 4.18Å; L18-L61 HydrophobicContact CD2-CD2 3.76Å; F44-L61 HydrophobicContact CE2-CD2 4.06Å; F44-L61 HydrophobicContact CZ-CD2 4.24Å; L52-L61 HydrophobicContact CD2-CD1 4.16Å; I54-L61 HydrophobicContact CG1-CD1 3.64Å; L61-H72 HydrophobicContact CB-CB 4.11Å; L61-H72 HydrophobicContact CD2-CB 4.43Å; L61-H72 PolarHBondContact N-O 3.45Å; L61-H72 PolarHBondContact O-N 2.74Å; L61-L74 HydrophobicContact CB-CD1 4.25Å; L61-F79 HydrophobicContact CD2-CB 4.41Å; L61-F79 HydrophobicContact CD2-CD1 4.15Å; L61-F79 HydrophobicContact CD2-CG 4.28Å
62L90Very high87Confident0 Ų028.7 Ų28.70%016%0.158CC..EExtended strand (participates in β ladder)trans-93.2131.2173.8-56.1-178.5000110.1L52 K53 L55 E70 V71 F94 T96 L119 F137L52-L62 CarbonylContact C-O 3.52Å; L52-L62 WeakPolarHBondContact CA-O 3.35Å; K53-L62 HydrophobicContact CB-CB 4.34Å; K53-L62 PolarHBondContact N-O 3.34Å; K53-L62 PolarHBondContact O-N 3.43Å; L55-L62 HydrophobicContact CD1-CD1 4.05Å; L55-L62 HydrophobicContact CD1-CG 4.34Å; L55-L62 HydrophobicContact CG-CD1 4.5Å; L62-E70 WeakPolarHBondContact CA-O 3.28Å; L62-V71 HydrophobicContact CD2-CB 4.21Å; L62-V71 HydrophobicContact CD2-CG1 4.09Å; L62-V71 HydrophobicContact CD2-CG2 3.75Å; L62-F94 HydrophobicContact CB-CE2 3.74Å; L62-F94 HydrophobicContact CB-CZ 3.64Å; L62-F94 HydrophobicContact CD1-CD2 4.33Å; L62-F94 HydrophobicContact CD1-CE2 3.82Å; L62-F94 HydrophobicContact CG-CE2 4.44Å; L62-T96 HydrophobicContact CD1-CG2 3.67Å; L62-L119 HydrophobicContact CD1-CD1 4.04Å; L62-F137 HydrophobicContact CD1-CE2 4.41Å; L62-F137 HydrophobicContact CD1-CZ 4.34Å; L62-F137 HydrophobicContact CD2-CE2 3.74Å; L62-F137 HydrophobicContact CD2-CZ 4.44Å
63S91.6Very high86.9Confident0 Ų028.3 Ų28.30%016%0.155CC..EExtended strand (participates in β ladder)trans-130.2137.8173.560.80000111.7Q51 V69 E70 H72Q51-S63 WeakPolarHBondContact O-CA 3.2Å; S63-V69 WeakPolarHBondContact O-CA 3.31Å; S63-E70 PolarHBondContact N-O 3.42Å; S63-E70 PolarHBondContact O-N 3.5Å; S63-H72 PolarHBondContact OG-CE1 2.95Å; S63-H72 PolarHBondContact OG-ND1 3.28Å
64L91.4Very high86.7Confident2 Ų224.2 Ų24.21%0.0114%0.138CC..EExtended strand (participates in β ladder)trans-95.3109.4168.3-177.464000108.4T50 Q51 V68 V69 A91 S92 F94T50-L64 PolarHBondContact N-O 2.95Å; T50-L64 VanDerWaalsContact OG1-CD2 3.28Å; T50-L64 WeakPolarHBondContact OG1-CD2 3.37Å; T50-L64 VanDerWaalsContact OG1-CG 3.24Å; T50-L64 WeakPolarHBondContact OG1-CG 3.41Å; T50-L64 PolarHBondContact OG1-O 3.41Å; T50-L64 VanDerWaalsContact OG1-O 3.12Å; Q51-L64 HydrophobicContact CB-CB 3.9Å; Q51-L64 HydrophobicContact CB-CD2 4.27Å; Q51-L64 PolarHBondContact O-N 3.07Å; L64-V68 WeakPolarHBondContact CA-O 3.39Å; L64-V69 HydrophobicContact CD1-CG2 3.92Å; L64-A91 HydrophobicContact CD1-CB 3.63Å; L64-S92 VanDerWaalsContact CD2-O 3.27Å; L64-S92 WeakPolarHBondContact CD2-O 3.46Å; L64-F94 HydrophobicContact CB-CD1 4.14Å; L64-F94 HydrophobicContact CB-CE1 3.98Å
65T88.7Confident86.5Confident4 Ų428.8 Ų28.83%0.02516%0.162CC..EExtended strand (participates in β ladder)trans-126.5129.6176.178.20000109V49 G67 V68 E70V49-T65 HydrophobicContact CB-CG2 4.49Å; V49-T65 HydrophobicContact CG2-CG2 3.98Å; T65-G67 PolarHBondContact O-N 2.94Å; T65-G67 VanDerWaalsContact O-N 3.08Å; T65-V68 PolarHBondContact N-O 3.27Å; T65-V68 PolarHBondContact O-N 3.13Å; T65-E70 PolarHBondContact OG1-OE1 2.85Å; T65-E70 PolarHBondContact OG1-OE2 2.5Å
66D86Confident86.2Confident98 Ų9833.1 Ų33.152%0.52418%0.183SC..THydrogen-bonded Turntrans52.832.5-178.8-158.449.7000115.9K47 V68K47-D66 HydrophobicContact CB-CB 4.29Å; K47-D66 HydrophobicContact CD-CB 3.36Å; K47-D66 HydrophobicContact CG-CB 4.46Å; K47-D66 VanDerWaalsContact NZ-CG 3.32Å; K47-D66 IonicContact NZ-OD1 3.92Å; K47-D66 IonicContact NZ-OD2 2.56Å; K47-D66 PolarHBondContact NZ-OD2 3.21Å; D66-V68 VanDerWaalsContact C-N 3.3Å; D66-V68 PolarHBondContact O-N 3.46Å
67G87.4Confident85.9Confident16 Ų1633.8 Ų33.817%0.16519%0.194CC..THydrogen-bonded Turntrans68.629.1-176.900000113.5T65 K89 N90 A91T65-G67 PolarHBondContact O-N 2.94Å; T65-G67 VanDerWaalsContact O-N 3.08Å; G67-K89 CarbonylContact O-C 3.46Å; G67-N90 CarbonylContact O-C 3.6Å; G67-N90 WeakPolarHBondContact O-CA 3.49Å; G67-N90 PolarHBondContact O-N 2.81Å; G67-A91 VanDerWaalsContact CA-O 3.29Å; G67-A91 WeakPolarHBondContact CA-O 3.21Å; G67-A91 PolarHBondContact O-N 3.36Å
68V90.9Very high85.9Confident30 Ų3034.2 Ų34.218%0.18219%0.194CC..EExtended strand (participates in β ladder)trans-128.1137.9171.7-178.40000108.5L64 T65 D66 E70 V84 K89L64-V68 WeakPolarHBondContact CA-O 3.39Å; T65-V68 PolarHBondContact N-O 3.27Å; T65-V68 PolarHBondContact O-N 3.13Å; D66-V68 VanDerWaalsContact C-N 3.3Å; D66-V68 PolarHBondContact O-N 3.46Å; V68-E70 HydrophobicContact CG1-CG 4.47Å; V68-V84 HydrophobicContact CG1-CG1 3.28Å; V68-K89 HydrophobicContact CG2-CG 4.43Å
69V91.4Very high86Confident0 Ų033 Ų330%018%0.183CC..EExtended strand (participates in β ladder)trans-91.4119.1176-176.10000109S63 L64 V85 S88 A91 F94 L119 V121S63-V69 WeakPolarHBondContact O-CA 3.31Å; L64-V69 HydrophobicContact CD1-CG2 3.92Å; V69-V85 HydrophobicContact CB-CB 4.12Å; V69-V85 HydrophobicContact CB-CG2 3.87Å; V69-V85 HydrophobicContact CG1-CG2 3.76Å; V69-V85 PolarHBondContact O-N 2.84Å; V69-S88 PolarHBondContact N-OG 3.39Å; V69-A91 HydrophobicContact CG2-CB 4.24Å; V69-F94 HydrophobicContact CG1-CD1 4.48Å; V69-F94 HydrophobicContact CG2-CB 4.39Å; V69-F94 HydrophobicContact CG2-CD1 4.13Å; V69-F94 HydrophobicContact CG2-CG 4.46Å; V69-L119 HydrophobicContact CG1-CD2 4.46Å; V69-V121 HydrophobicContact CG2-CG1 3.9Å; V69-V121 HydrophobicContact CG2-CG2 4.13Å
70E90.9Very high86.1Confident37 Ų3733.7 Ų33.717%0.17319%0.187CC..EExtended strand (participates in β ladder)trans-112.4136.6-177.2-68.5175152.100109.9L62 S63 T65 V68 H72 L81 V84L62-E70 WeakPolarHBondContact CA-O 3.28Å; S63-E70 PolarHBondContact N-O 3.42Å; S63-E70 PolarHBondContact O-N 3.5Å; T65-E70 PolarHBondContact OG1-OE1 2.85Å; T65-E70 PolarHBondContact OG1-OE2 2.5Å; V68-E70 HydrophobicContact CG1-CG 4.47Å; E70-H72 VanDerWaalsContact CB-CE1 3.43Å; E70-H72 WeakPolarHBondContact CB-CE1 3.45Å; E70-H72 IonicContact OE2-CE1 3.51Å; E70-L81 HydrophobicContact CB-CD1 3.66Å; E70-L81 HydrophobicContact CG-CD1 4.02Å; E70-V84 HydrophobicContact CG-CG2 4.48Å
71V90.5Very high86Confident0 Ų038 Ų380%021%0.21CC..EExtended strand (participates in β ladder)trans-104.5124179.7-172.40000108.7L60 L62 L82 S83 V85 F137L60-V71 HydrophobicContact CB-CG1 4.34Å; L60-V71 HydrophobicContact CD1-CG1 4.14Å; L60-V71 HydrophobicContact CD2-CG1 4.01Å; L60-V71 HydrophobicContact CG-CG1 4.39Å; L62-V71 HydrophobicContact CD2-CB 4.21Å; L62-V71 HydrophobicContact CD2-CG1 4.09Å; L62-V71 HydrophobicContact CD2-CG2 3.75Å; V71-L82 HydrophobicContact CG1-CD1 4.5Å; V71-L82 WeakPolarHBondContact O-CB 3.24Å; V71-L82 PolarHBondContact O-N 3.39Å; V71-S83 PolarHBondContact N-O 2.97Å; V71-S83 PolarHBondContact O-N 3.27Å; V71-V85 HydrophobicContact CG2-CG2 4.18Å; V71-F137 HydrophobicContact CG2-CD2 3.79Å; V71-F137 HydrophobicContact CG2-CE2 4.12Å
72H89.4Confident86Confident4 Ų440.9 Ų40.92%0.01923%0.225CC..EExtended strand (participates in β ladder)trans-119.6148.7-177.7-60.885.6000111.3F44 L61 S63 E70 F79 P80F44-H72 HydrophobicContact CE2-CB 4.41Å; F44-H72 AromaticContact CE2-CD2 3.56Å; F44-H72 AromaticContact CE2-CE1 3.74Å; F44-H72 AromaticContact CE2-CG 3.69Å; F44-H72 AromaticContact CE2-ND1 3.81Å; F44-H72 AromaticContact CE2-NE2 3.6Å; F44-H72 AromaticContact CZ-CE1 3.5Å; F44-H72 AromaticContact CZ-ND1 3.69Å; F44-H72 AromaticContact CZ-NE2 3.79Å; L61-H72 HydrophobicContact CB-CB 4.11Å; L61-H72 HydrophobicContact CD2-CB 4.43Å; L61-H72 PolarHBondContact N-O 3.45Å; L61-H72 PolarHBondContact O-N 2.74Å; S63-H72 PolarHBondContact OG-CE1 2.95Å; S63-H72 PolarHBondContact OG-ND1 3.28Å; E70-H72 VanDerWaalsContact CB-CE1 3.43Å; E70-H72 WeakPolarHBondContact CB-CE1 3.45Å; E70-H72 IonicContact OE2-CE1 3.51Å; H72-F79 HydrophobicContact CB-CB 4.32Å; H72-F79 PolarHBondContact CD2-O 3.07Å; H72-F79 VanDerWaalsContact CD2-O 3.24Å; H72-P80 VanDerWaalsContact CA-O 3.29Å; H72-P80 WeakPolarHBondContact CA-O 3.37Å
73D86.2Confident85.9Confident6 Ų641.9 Ų41.93%0.03223%0.232CC..EExtended strand (participates in β ladder)trans-76.7125.3174.2-160-44.5000109.8N75 Q76 F79 P80 L82 K135D73-N75 PolarHBondContact OD1-N 2.87Å; D73-Q76 HydrophobicContact CB-CG 4.4Å; D73-Q76 PolarHBondContact OD2-NE2 3.36Å; D73-F79 WeakPolarHBondContact O-CA 3.46Å; D73-P80 HydrophobicContact CB-CG 4.03Å; D73-P80 PolarHBondContact N-O 3.43Å; D73-L82 HydrophobicContact CB-CD1 3.76Å; D73-L82 HydrophobicContact CB-CD2 4Å; D73-L82 HydrophobicContact CB-CG 3.89Å; D73-K135 IonicContact OD2-NZ 3.2Å; D73-K135 PolarHBondContact OD2-NZ 2.77Å
74L83.4Confident85.8Confident10 Ų1045.2 Ų45.25%0.05225%0.252CS..SBendtrans-82.3-24.7-177.2-169.760000112.9F4 L10 I54 S59 L61 F79F4-L74 HydrophobicContact CD2-CD1 3.95Å; F4-L74 HydrophobicContact CD2-CD2 3.26Å; F4-L74 HydrophobicContact CD2-CG 3.61Å; F4-L74 HydrophobicContact CE2-CD1 4.27Å; F4-L74 HydrophobicContact CE2-CD2 3.19Å; F4-L74 HydrophobicContact CE2-CG 3.45Å; F4-L74 VanDerWaalsContact CE2-CG 3.45Å; F4-L74 HydrophobicContact CG-CD1 4.36Å; F4-L74 HydrophobicContact CG-CD2 4.38Å; F4-L74 HydrophobicContact CG-CG 4.39Å; F4-L74 HydrophobicContact CZ-CD2 4.29Å; F4-L74 HydrophobicContact CZ-CG 4.14Å; L10-L74 HydrophobicContact CD1-CD1 4.32Å; I54-L74 HydrophobicContact CG2-CD2 3.58Å; S59-L74 VanDerWaalsContact C-CB 3.48Å; S59-L74 WeakPolarHBondContact O-CB 3.3Å; S59-L74 PolarHBondContact O-N 3.3Å; L61-L74 HydrophobicContact CB-CD1 4.25Å; L74-F79 HydrophobicContact CD1-CD1 4.41Å; L74-F79 HydrophobicContact CD1-CE1 4.04Å
75N80.8Confident85.7Confident108 Ų10845.2 Ų45.258%0.57825%0.252SS*.SBendtrans-84.5-21.2-173.9-69.1-21.6000112.6S59 D73S59-N75 WeakPolarHBondContact CB-ND2 3.49Å; S59-N75 PolarHBondContact OG-ND2 3.44Å; S59-N75 VanDerWaalsContact OG-ND2 3.11Å; D73-N75 PolarHBondContact OD1-N 2.87Å
76Q77.9Confident85.6Confident105 Ų10547.8 Ų47.849%0.49127%0.269SS..SBendtrans-91.1139.9-177.7-62.8-170.927.100112.2D73 K78 F79 P80D73-Q76 HydrophobicContact CB-CG 4.4Å; D73-Q76 PolarHBondContact OD2-NE2 3.36Å; Q76-K78 PolarHBondContact O-N 2.89Å; Q76-F79 PolarHBondContact O-N 3.23Å; Q76-F79 VanDerWaalsContact O-N 3.15Å; Q76-P80 HydrophobicContact CB-CG 3.83Å; Q76-P80 HydrophobicContact CG-CG 4.39Å
77A71.1Confident85.5Confident85 Ų8550.2 Ų50.270%0.70228%0.275SS*.THydrogen-bonded Turntrans-58135.3173.900000110.5F79A77-F79 VanDerWaalsContact C-N 3.32Å
78K76.7Confident85.5Confident141 Ų14149.6 Ų49.661%0.61327%0.268SS*.THydrogen-bonded Turntrans74.82.4-175.8-51.4177179.41740116.6C41 Q76C41-K78 PolarHBondContact SG-O 3.4Å; C41-K78 VanDerWaalsContact SG-O 3.4Å; Q76-K78 PolarHBondContact O-N 2.89Å
79F82.4Confident85.3Confident15 Ų1555.7 Ų55.77%0.06629%0.292CS..  trans55.268.1174-46.4-79.5000112.9L10 L18 F44 L61 H72 D73 L74 Q76 A77L10-F79 HydrophobicContact CD1-CE1 4.27Å; L10-F79 HydrophobicContact CD1-CZ 4.25Å; L10-F79 HydrophobicContact CD2-CE2 4.43Å; L10-F79 HydrophobicContact CD2-CZ 3.93Å; L18-F79 HydrophobicContact CD2-CD2 3.52Å; L18-F79 HydrophobicContact CD2-CE2 3.67Å; L18-F79 HydrophobicContact CD2-CG 4.06Å; L18-F79 HydrophobicContact CD2-CZ 4.33Å; F44-F79 HydrophobicContact CD2-CB 4.14Å; F44-F79 HydrophobicContact CE2-CB 4.09Å; L61-F79 HydrophobicContact CD2-CB 4.41Å; L61-F79 HydrophobicContact CD2-CD1 4.15Å; L61-F79 HydrophobicContact CD2-CG 4.28Å; H72-F79 HydrophobicContact CB-CB 4.32Å; H72-F79 PolarHBondContact CD2-O 3.07Å; H72-F79 VanDerWaalsContact CD2-O 3.24Å; D73-F79 WeakPolarHBondContact O-CA 3.46Å; L74-F79 HydrophobicContact CD1-CD1 4.41Å; L74-F79 HydrophobicContact CD1-CE1 4.04Å; Q76-F79 PolarHBondContact O-N 3.23Å; Q76-F79 VanDerWaalsContact O-N 3.15Å; A77-F79 VanDerWaalsContact C-N 3.32Å
80P85.1Confident85.1Confident46 Ų4660.3 Ų60.330%0.29932%0.317SS..  trans-63.6144.4-179.528.1-33.1000111.2H72 D73 Q76 L82H72-P80 VanDerWaalsContact CA-O 3.29Å; H72-P80 WeakPolarHBondContact CA-O 3.37Å; D73-P80 HydrophobicContact CB-CG 4.03Å; D73-P80 PolarHBondContact N-O 3.43Å; Q76-P80 HydrophobicContact CB-CG 3.83Å; Q76-P80 HydrophobicContact CG-CG 4.39Å; P80-L82 PolarHBondContact O-N 3.33Å
81L87Confident85.1Confident90 Ų9058.9 Ų58.947%0.47131%0.311SS..EExtended strand (participates in β ladder)trans-67122.3173.3-17970.8000109.4E70 V84E70-L81 HydrophobicContact CB-CD1 3.66Å; E70-L81 HydrophobicContact CG-CD1 4.02Å; L81-V84 HydrophobicContact CD1-CG2 4.43Å; L81-V84 HydrophobicContact CD2-CG2 4.18Å
82L86.9Confident85Confident62 Ų6261.7 Ų61.733%0.32533%0.331SS..EExtended strand (participates in β ladder)trans-89.5-52.5175.2-68.7172000110.6L60 V71 D73 P80 K135L60-L82 HydrophobicContact CD2-CD1 3.52Å; V71-L82 HydrophobicContact CG1-CD1 4.5Å; V71-L82 WeakPolarHBondContact O-CB 3.24Å; V71-L82 PolarHBondContact O-N 3.39Å; D73-L82 HydrophobicContact CB-CD1 3.76Å; D73-L82 HydrophobicContact CB-CD2 4Å; D73-L82 HydrophobicContact CB-CG 3.89Å; P80-L82 PolarHBondContact O-N 3.33Å; L82-K135 HydrophobicContact CD1-CD 4.06Å; L82-K135 HydrophobicContact CD2-CD 4.48Å
83S88.1Confident85Confident21 Ų2162.4 Ų62.415%0.14734%0.336CS..EExtended strand (participates in β ladder)trans-157.7166.4-178.160.50000112.5V71 D136V71-S83 PolarHBondContact N-O 2.97Å; V71-S83 PolarHBondContact O-N 3.27Å; S83-D136 WeakPolarHBondContact CB-OD1 3.49Å; S83-D136 PolarHBondContact OG-OD1 3.15Å
84V89.5Confident85.3Confident69 Ų6962.3 Ų62.342%0.41834%0.335SS..EExtended strand (participates in β ladder)trans-116.9127.8177.6-178.10000107.8V68 E70 L81V68-V84 HydrophobicContact CG1-CG1 3.28Å; E70-V84 HydrophobicContact CG-CG2 4.48Å; L81-V84 HydrophobicContact CD1-CG2 4.43Å; L81-V84 HydrophobicContact CD2-CG2 4.18Å
85V89.1Confident85.7Confident3 Ų363 Ų632%0.01834%0.341CS..  trans-61.6122-177.5179.20000109.1V69 V71 S88 L119 Y130 F137V69-V85 HydrophobicContact CB-CB 4.12Å; V69-V85 HydrophobicContact CB-CG2 3.87Å; V69-V85 HydrophobicContact CG1-CG2 3.76Å; V69-V85 PolarHBondContact O-N 2.84Å; V71-V85 HydrophobicContact CG2-CG2 4.18Å; V85-S88 VanDerWaalsContact O-CB 3.3Å; V85-S88 WeakPolarHBondContact O-CB 3.05Å; V85-S88 PolarHBondContact O-N 2.91Å; V85-S88 PolarHBondContact O-OG 2.94Å; V85-L119 HydrophobicContact CG1-CD2 4.28Å; V85-L119 HydrophobicContact CG2-CD2 3.86Å; V85-Y130 HydrophobicContact CG1-CD1 3.73Å; V85-Y130 HydrophobicContact CG1-CD2 3.92Å; V85-Y130 HydrophobicContact CG1-CE1 3.5Å; V85-Y130 VanDerWaalsContact CG1-CE1 3.5Å; V85-Y130 HydrophobicContact CG1-CE2 3.73Å; V85-Y130 HydrophobicContact CG1-CG 3.93Å; V85-Y130 VanDerWaalsContact CG1-CZ 3.49Å; V85-F137 HydrophobicContact CG1-CB 4.4Å; V85-F137 HydrophobicContact CG2-CB 4.18Å; V85-F137 HydrophobicContact CG2-CD2 4.28Å; V85-F137 HydrophobicContact CG2-CG 4.46Å
86P86Confident86.2Confident58 Ų5858.7 Ų58.738%0.37732%0.318SS..THydrogen-bonded Turntrans-64.9140.7-171.924-31.7000110.7S88 Y130 F137P86-S88 PolarHBondContact O-N 2.93Å; P86-Y130 HydrophobicContact CG-CE1 4.06Å; P86-Y130 VanDerWaalsContact O-CE1 3.26Å; P86-Y130 WeakPolarHBondContact O-CE1 3.17Å; P86-Y130 PolarHBondContact O-OH 3.24Å; P86-F137 WeakPolarHBondContact CD-O 3.23Å
87K84.3Confident86.5Confident149 Ų14954 Ų5465%0.64830%0.297SS*.THydrogen-bonded Turntrans64.18.7-179.2-54.9177.1-179.9173.40116.1K89 I123 Q128 I139K87-K89 PolarHBondContact O-N 3.36Å; K87-I123 WeakPolarHBondContact O-CD1 3.07Å; K87-Q128 PolarHBondContact O-OE1 3.36Å; K87-I139 HydrophobicContact CD-CD1 4.27Å
88S87Confident87.1Confident2 Ų254.5 Ų54.51%0.01429%0.285CS..  trans-73.210.8-179.764.90000116.1V69 V85 P86 N90 A91V69-S88 PolarHBondContact N-OG 3.39Å; V85-S88 VanDerWaalsContact O-CB 3.3Å; V85-S88 WeakPolarHBondContact O-CB 3.05Å; V85-S88 PolarHBondContact O-N 2.91Å; V85-S88 PolarHBondContact O-OG 2.94Å; P86-S88 PolarHBondContact O-N 2.93Å; S88-N90 PolarHBondContact O-N 3.41Å; S88-A91 VanDerWaalsContact O-CB 3.26Å; S88-A91 WeakPolarHBondContact O-CB 3.3Å; S88-A91 PolarHBondContact O-N 2.89Å
89K86.8Confident86.8Confident159 Ų15948.8 Ų48.869%0.69126%0.26SS*.THydrogen-bonded Turntrans-64.5133.3-177.3-71.4-174.1179.2-179.10111.9G67 V68 K87 I123G67-K89 CarbonylContact O-C 3.46Å; V68-K89 HydrophobicContact CG2-CG 4.43Å; K87-K89 PolarHBondContact O-N 3.36Å; K89-I123 WeakPolarHBondContact O-CG2 3.2Å
90N89Confident85.9Confident97 Ų9752.7 Ų52.752%0.51928%0.281SS..THydrogen-bonded Turntrans68.829.3-173.2-45.6-78.9000114G67 S88 I123G67-N90 CarbonylContact O-C 3.6Å; G67-N90 WeakPolarHBondContact O-CA 3.49Å; G67-N90 PolarHBondContact O-N 2.81Å; S88-N90 PolarHBondContact O-N 3.41Å; N90-I123 HydrophobicContact CB-CG2 4.42Å
91A89.7Confident84.4Confident7 Ų753.7 Ų53.76%0.05829%0.286CS..EExtended strand (participates in β ladder)trans-62.2134.1170.900000111.3L64 G67 V69 S88 V121 A122 I123L64-A91 HydrophobicContact CD1-CB 3.63Å; G67-A91 VanDerWaalsContact CA-O 3.29Å; G67-A91 WeakPolarHBondContact CA-O 3.21Å; G67-A91 PolarHBondContact O-N 3.36Å; V69-A91 HydrophobicContact CG2-CB 4.24Å; S88-A91 VanDerWaalsContact O-CB 3.26Å; S88-A91 WeakPolarHBondContact O-CB 3.3Å; S88-A91 PolarHBondContact O-N 2.89Å; A91-V121 HydrophobicContact CB-CG1 3.45Å; A91-V121 VanDerWaalsContact CB-CG1 3.45Å; A91-A122 CarbonylContact C-O 3.56Å; A91-A122 WeakPolarHBondContact CA-O 3.25Å; A91-I123 HydrophobicContact CB-CG1 4.4Å
92S88.7Confident82.4Confident59 Ų5957.6 Ų57.641%0.41330%0.302SS..EExtended strand (participates in β ladder)trans-95-41.8176.851.40000112.5L64 A122 V152L64-S92 VanDerWaalsContact CD2-O 3.27Å; L64-S92 WeakPolarHBondContact CD2-O 3.46Å; S92-A122 PolarHBondContact N-O 3.41Å; S92-A122 WeakPolarHBondContact OG-CB 3.36Å; S92-A122 PolarHBondContact OG-O 2.96Å; S92-V152 PolarHBondContact OG-O 3.43Å
93C89.3Confident80.3Confident18 Ų1861 Ų6112%0.12232%0.32CS..EExtended strand (participates in β ladder)trans-156.5165.6176.762.50000110.6Q51 A122Q51-C93 VanDerWaalsContact OE1-CA 3.3Å; C93-A122 PolarHBondContact O-N 3.46Å
94F92.4Very high77.6Confident5 Ų567.9 Ų67.92%0.02235%0.35CS..EExtended strand (participates in β ladder)trans-139159.1172.971.1-91.6000112.4Q51 K53 L62 L64 V69 T96 L119 A120 V121Q51-F94 HydrophobicContact CB-CD1 4.4Å; Q51-F94 HydrophobicContact CB-CE1 3.88Å; Q51-F94 HydrophobicContact CG-CD1 4.29Å; Q51-F94 HydrophobicContact CG-CE1 3.8Å; Q51-F94 HydrophobicContact CG-CZ 4.23Å; Q51-F94 PolarHBondContact NE2-O 3.2Å; Q51-F94 VanDerWaalsContact OE1-CD1 3.3Å; K53-F94 HydrophobicContact CB-CE2 3.48Å; K53-F94 VanDerWaalsContact CB-CE2 3.48Å; K53-F94 HydrophobicContact CB-CZ 3.73Å; K53-F94 HydrophobicContact CG-CE2 4.32Å; L62-F94 HydrophobicContact CB-CE2 3.74Å; L62-F94 HydrophobicContact CB-CZ 3.64Å; L62-F94 HydrophobicContact CD1-CD2 4.33Å; L62-F94 HydrophobicContact CD1-CE2 3.82Å; L62-F94 HydrophobicContact CG-CE2 4.44Å; L64-F94 HydrophobicContact CB-CD1 4.14Å; L64-F94 HydrophobicContact CB-CE1 3.98Å; V69-F94 HydrophobicContact CG1-CD1 4.48Å; V69-F94 HydrophobicContact CG2-CB 4.39Å; V69-F94 HydrophobicContact CG2-CD1 4.13Å; V69-F94 HydrophobicContact CG2-CG 4.46Å; F94-T96 HydrophobicContact CD2-CG2 4.47Å; F94-L119 HydrophobicContact CB-CD1 3.94Å; F94-L119 HydrophobicContact CD2-CD1 3.57Å; F94-L119 HydrophobicContact CE2-CD1 4.44Å; F94-L119 HydrophobicContact CG-CD1 4.09Å; F94-A120 CarbonylContact C-O 3.52Å; F94-A120 WeakPolarHBondContact CA-O 3.47Å; F94-A120 VanDerWaalsContact CB-O 3.32Å; F94-A120 WeakPolarHBondContact CB-O 3.42Å; F94-V121 HydrophobicContact CB-CG2 4.33Å
95S91.4Very high74.9Confident23 Ų2371.6 Ų71.616%0.16136%0.362CS..EExtended strand (participates in β ladder)trans-137.9151.1173.9-179.70000110.3L119 A120 V155 L157S95-L119 WeakPolarHBondContact O-CA 3.34Å; S95-A120 PolarHBondContact N-O 2.98Å; S95-A120 PolarHBondContact O-N 3.16Å; S95-V155 VanDerWaalsContact CB-O 3.32Å; S95-V155 WeakPolarHBondContact CB-O 3.4Å; S95-L157 WeakPolarHBondContact O-CD1 3.21Å; S95-L157 PolarHBondContact OG-N 2.87Å
96T90.9Very high72.1Confident18 Ų1884 Ų8411%0.1141%0.409CS..EExtended strand (participates in β ladder)trans-126.6149.4176.660.10000111.2K53 L55 L62 F94 L118 L119K53-T96 WeakPolarHBondContact CE-OG1 3.19Å; L55-T96 HydrophobicContact CD2-CG2 4.3Å; L62-T96 HydrophobicContact CD1-CG2 3.67Å; F94-T96 HydrophobicContact CD2-CG2 4.47Å; T96-L118 WeakPolarHBondContact CA-O 3.32Å; T96-L118 WeakPolarHBondContact CB-O 3.47Å; T96-L119 HydrophobicContact CG2-CB 4.41Å; T96-L119 HydrophobicContact CG2-CD1 3.64Å
97C85.9Confident69.4Low6 Ų685.3 Ų85.34%0.04143%0.434CS..EExtended strand (participates in β ladder)trans-142.7154.4165.873.40000110.4L118 L157C97-L118 PolarHBondContact N-O 3.4Å; C97-L118 VanDerWaalsContact N-O 3.16Å; C97-L118 PolarHBondContact O-N 3.11Å; C97-L157 HydrophobicContact CB-CB 3.72Å
98E81.9Confident66.7Low96 Ų9680.1 Ų80.145%0.44942%0.422SS..EExtended strand (participates in β ladder)trans-75.3144.3162.8-75.1153.8-149.100109Y116E98-Y116 CarbonylContact C-O 3.54Å
99W72.1Confident64Low22 Ų2284.7 Ų84.78%0.08346%0.46CS..EExtended strand (participates in β ladder)trans-131.1113.1179.9-173.51.3000109.2Y116 L118 F140 N160 V176W99-Y116 PolarHBondContact N-O 3.48Å; W99-Y116 PolarHBondContact O-N 2.98Å; W99-L118 HydrophobicContact CB-CD1 4.39Å; W99-L118 HydrophobicContact CB-CG 4.39Å; W99-L118 HydrophobicContact CD2-CD1 3.9Å; W99-L118 HydrophobicContact CD2-CG 4.28Å; W99-L118 HydrophobicContact CE3-CD1 3.2Å; W99-L118 HydrophobicContact CE3-CD2 3.52Å; W99-L118 HydrophobicContact CE3-CG 3.34Å; W99-L118 HydrophobicContact CG-CD1 4.45Å; W99-L118 HydrophobicContact CH2-CD1 4.33Å; W99-L118 HydrophobicContact CZ3-CD1 3.42Å; W99-L118 VanDerWaalsContact CZ3-CD1 3.42Å; W99-L118 HydrophobicContact CZ3-CD2 3.52Å; W99-L118 HydrophobicContact CZ3-CG 3.76Å; W99-F140 HydrophobicContact CE3-CE2 4.26Å; W99-F140 HydrophobicContact CE3-CZ 4.33Å; W99-F140 AromaticContact CH2-CE1 3.78Å; W99-F140 HydrophobicContact CH2-CE1 3.78Å; W99-F140 AromaticContact CH2-CE2 3.89Å; W99-F140 HydrophobicContact CH2-CE2 3.89Å; W99-F140 AromaticContact CH2-CZ 3.19Å; W99-F140 HydrophobicContact CH2-CZ 3.19Å; W99-F140 HydrophobicContact CZ2-CZ 4.46Å; W99-F140 HydrophobicContact CZ3-CD2 4.2Å; W99-F140 AromaticContact CZ3-CE1 3.74Å; W99-F140 HydrophobicContact CZ3-CE1 3.74Å; W99-F140 AromaticContact CZ3-CE2 3.33Å; W99-F140 HydrophobicContact CZ3-CE2 3.33Å; W99-F140 AromaticContact CZ3-CZ 3.08Å; W99-F140 HydrophobicContact CZ3-CZ 3.08Å; W99-N160 PolarHBondContact NE1-OD1 3.11Å; W99-V176 HydrophobicContact CH2-CB 3.96Å; W99-V176 HydrophobicContact CH2-CG2 3.31Å; W99-V176 HydrophobicContact CZ2-CB 3.66Å; W99-V176 HydrophobicContact CZ2-CG1 4.19Å; W99-V176 HydrophobicContact CZ2-CG2 3.5Å
100D62.7Low61.2Low96 Ų9682.1 Ų82.151%0.51347%0.469SS..  trans-85.8115.3167.9-76.8-23.1000110.5Q102 S115D100-Q102 HydrophobicContact CB-CG 4.44Å; D100-Q102 PolarHBondContact O-N 2.91Å; D100-S115 PolarHBondContact OD1-OG 3.43Å
101T54.1Low58.4Low67 Ų6782.3 Ų82.341%0.41148%0.478SS..  trans-77.138.2172.838.30000112.6L103 Y116T101-L103 PolarHBondContact O-N 3.43Å; T101-Y116 HydrophobicContact CG2-CD2 3.83Å; T101-Y116 HydrophobicContact CG2-CE2 4.03Å
102Q44.3Very low55.9Low173 Ų17386.6 Ų86.681%0.80851%0.507SS*.THydrogen-bonded Turntrans-73.613.6179.4-74.9-163.5-1.500114.8D100D100-Q102 HydrophobicContact CB-CG 4.44Å; D100-Q102 PolarHBondContact O-N 2.91Å
103L42.8Very low53.4Low133 Ų13387.6 Ų87.670%0.69653%0.526SS*.THydrogen-bonded Turntrans-120.2-4.2-176.5-77.2160.6000115.1T101T101-L103 PolarHBondContact O-N 3.43Å
104E32.1Very low51.5Low165 Ų16591.7 Ų91.777%0.77155%0.547SS*.  trans-118.487.7172.8-71.3-166.5161.500110.8
105E32.1Very low49.9Very low147 Ų14794.2 Ų94.269%0.68757%0.566SS**  trans-174.588141.4-103.3177.9-154.300110.7G107E105-G107 VanDerWaalsContact C-N 3.34Å; E105-G107 PolarHBondContact O-N 2.83Å; E105-G107 VanDerWaalsContact O-N 3.1Å
106R30.6Very low49.1Very low263 Ų26398 Ų9899%0.99258%0.577SS**SBendtrans-68.396.8152.6-84.9-177.4173.7-173.4-0.7107.4
107G28.9Very low48.8Very low87 Ų8797.5 Ų97.590%0.89757%0.574SS**SBendtrans11712.115800000118.5E105E105-G107 VanDerWaalsContact C-N 3.34Å; E105-G107 PolarHBondContact O-N 2.83Å; E105-G107 VanDerWaalsContact O-N 3.1Å
108G27.8Very low48.9Very low40 Ų4097.3 Ų97.341%0.41257%0.572SS.*SBendtrans-119.8142.9172.500000111.2A110G108-A110 PolarHBondContact O-N 2.82Å
109A30.6Very low49.3Very low97 Ų9792.7 Ų92.780%0.80255%0.551SS**  trans-65.8117.4177.100000109.8S111A109-S111 PolarHBondContact O-N 3.33Å
110A28.5Very low50.3Low106 Ų10691.7 Ų91.788%0.87655%0.547SS*.  trans-57.192.3176.900000111.5G108G108-A110 PolarHBondContact O-N 2.82Å
111S30.5Very low51.7Low101 Ų10187.1 Ų87.171%0.70652%0.522SS*.  trans-88.6114.7166.953.20000108.7A109A109-S111 PolarHBondContact O-N 3.33Å
112S36.3Very low53.5Low96 Ų9683.9 Ų83.967%0.67150%0.503SS*.  trans42.7106.3165.455.90000116.7D114S112-D114 PolarHBondContact O-N 3.38Å
113G36Very low55.8Low80 Ų8076.4 Ų76.483%0.82547%0.468SS*.  trans-56.6101.9176.100000113S115G113-S115 PolarHBondContact O-N 3.38Å
114D49.4Very low58Low104 Ų10477.9 Ų77.956%0.55646%0.464SS*.  trans-79.1100.1165.8-78.2-15.8000107.6S112 Y116S112-D114 PolarHBondContact O-N 3.38Å; D114-Y116 HydrophobicContact CB-CE2 4.21Å; D114-Y116 VanDerWaalsContact O-CD2 3.22Å; D114-Y116 WeakPolarHBondContact O-CD2 3.28Å; D114-Y116 WeakPolarHBondContact O-CE2 3.09Å; D114-Y116 PolarHBondContact O-N 3.32Å
115S58.1Low60.8Low59 Ų5976.8 Ų76.841%0.41345%0.453SS..PPolyproline II helixtrans-68.9120169.7-660000108.9D100 G113D100-S115 PolarHBondContact OD1-OG 3.43Å; G113-S115 PolarHBondContact O-N 3.38Å
116Y75.2Confident63.6Low101 Ų10172.6 Ų72.640%0.39643%0.433SS..EExtended strand (participates in β ladder)trans-90.1144.8178.2-66-82.1000110.2E98 W99 T101 D114E98-Y116 CarbonylContact C-O 3.54Å; W99-Y116 PolarHBondContact N-O 3.48Å; W99-Y116 PolarHBondContact O-N 2.98Å; T101-Y116 HydrophobicContact CG2-CD2 3.83Å; T101-Y116 HydrophobicContact CG2-CE2 4.03Å; D114-Y116 HydrophobicContact CB-CE2 4.21Å; D114-Y116 VanDerWaalsContact O-CD2 3.22Å; D114-Y116 WeakPolarHBondContact O-CD2 3.28Å; D114-Y116 WeakPolarHBondContact O-CE2 3.09Å; D114-Y116 PolarHBondContact O-N 3.32Å
117I84.9Confident66.5Low9 Ų960 Ų605%0.04639%0.385CS..EExtended strand (participates in β ladder)trans-102.3124.6173.2-58.7179.4000109.3L55 S58 L132L55-I117 HydrophobicContact CB-CD1 4.4Å; L55-I117 HydrophobicContact CD1-CD1 4.12Å; L55-I117 HydrophobicContact CD1-CG2 4.08Å; L55-I117 HydrophobicContact CD2-CD1 4.34Å; L55-I117 HydrophobicContact CD2-CG2 4.24Å; S58-I117 WeakPolarHBondContact OG-CD1 3.43Å; I117-L132 HydrophobicContact CB-CB 4.02Å; I117-L132 HydrophobicContact CB-CD2 4.19Å; I117-L132 HydrophobicContact CD1-CD2 3.94Å; I117-L132 HydrophobicContact CG1-CD2 4.34Å; I117-L132 PolarHBondContact O-N 3.24Å
118L88.4Confident69.5Low1 Ų156.7 Ų56.71%0.00535%0.346CS..EExtended strand (participates in β ladder)trans-92148169.3-72.8173.9000112.1T96 C97 W99 Y130 F140 L157 L175T96-L118 WeakPolarHBondContact CA-O 3.32Å; T96-L118 WeakPolarHBondContact CB-O 3.47Å; C97-L118 PolarHBondContact N-O 3.4Å; C97-L118 VanDerWaalsContact N-O 3.16Å; C97-L118 PolarHBondContact O-N 3.11Å; W99-L118 HydrophobicContact CB-CD1 4.39Å; W99-L118 HydrophobicContact CB-CG 4.39Å; W99-L118 HydrophobicContact CD2-CD1 3.9Å; W99-L118 HydrophobicContact CD2-CG 4.28Å; W99-L118 HydrophobicContact CE3-CD1 3.2Å; W99-L118 HydrophobicContact CE3-CD2 3.52Å; W99-L118 HydrophobicContact CE3-CG 3.34Å; W99-L118 HydrophobicContact CG-CD1 4.45Å; W99-L118 HydrophobicContact CH2-CD1 4.33Å; W99-L118 HydrophobicContact CZ3-CD1 3.42Å; W99-L118 VanDerWaalsContact CZ3-CD1 3.42Å; W99-L118 HydrophobicContact CZ3-CD2 3.52Å; W99-L118 HydrophobicContact CZ3-CG 3.76Å; L118-Y130 CarbonylContact C-O 3.57Å; L118-Y130 WeakPolarHBondContact CA-O 3.44Å; L118-F140 HydrophobicContact CD2-CD2 3.89Å; L118-F140 HydrophobicContact CD2-CE2 4.22Å; L118-F140 HydrophobicContact CD2-CG 4.12Å; L118-L157 HydrophobicContact CB-CD1 3.79Å; L118-L175 HydrophobicContact CD1-CD1 4.22Å
119L90.9Very high72.5Confident0 Ų054.8 Ų54.80%033%0.327CS..EExtended strand (participates in β ladder)trans-130.8122.3173172.370.7000109.6L62 V69 V85 F94 S95 T96 V121 L129 Y130 F137L62-L119 HydrophobicContact CD1-CD1 4.04Å; V69-L119 HydrophobicContact CG1-CD2 4.46Å; V85-L119 HydrophobicContact CG1-CD2 4.28Å; V85-L119 HydrophobicContact CG2-CD2 3.86Å; F94-L119 HydrophobicContact CB-CD1 3.94Å; F94-L119 HydrophobicContact CD2-CD1 3.57Å; F94-L119 HydrophobicContact CE2-CD1 4.44Å; F94-L119 HydrophobicContact CG-CD1 4.09Å; S95-L119 WeakPolarHBondContact O-CA 3.34Å; T96-L119 HydrophobicContact CG2-CB 4.41Å; T96-L119 HydrophobicContact CG2-CD1 3.64Å; L119-V121 HydrophobicContact CD1-CG2 4.34Å; L119-V121 HydrophobicContact CD2-CG2 3.98Å; L119-V121 HydrophobicContact CG-CG2 3.87Å; L119-L129 CarbonylContact O-C 3.51Å; L119-L129 WeakPolarHBondContact O-CA 3.07Å; L119-Y130 HydrophobicContact CD2-CD2 4.41Å; L119-Y130 PolarHBondContact N-O 3.48Å; L119-Y130 PolarHBondContact O-N 3.03Å; L119-F137 HydrophobicContact CB-CD1 3.65Å; L119-F137 HydrophobicContact CB-CE1 3.46Å; L119-F137 VanDerWaalsContact CB-CE1 3.46Å; L119-F137 HydrophobicContact CB-CZ 4.22Å; L119-F137 HydrophobicContact CD2-CB 4.41Å; L119-F137 HydrophobicContact CD2-CD1 3.78Å; L119-F137 HydrophobicContact CD2-CD2 4.07Å; L119-F137 HydrophobicContact CD2-CE1 4.03Å; L119-F137 HydrophobicContact CD2-CE2 4.33Å; L119-F137 HydrophobicContact CD2-CG 3.79Å; L119-F137 HydrophobicContact CD2-CZ 4.29Å; L119-F137 HydrophobicContact CG-CD1 4.37Å; L119-F137 HydrophobicContact CG-CE1 4.35Å
120A92.1Very high75.3Confident0 Ų050.2 Ų50.20%029%0.289CS..EExtended strand (participates in β ladder)trans-103.4126.4170.300000109.3F94 S95 Q128 L129 V155 L157 M162F94-A120 CarbonylContact C-O 3.52Å; F94-A120 WeakPolarHBondContact CA-O 3.47Å; F94-A120 VanDerWaalsContact CB-O 3.32Å; F94-A120 WeakPolarHBondContact CB-O 3.42Å; S95-A120 PolarHBondContact N-O 2.98Å; S95-A120 PolarHBondContact O-N 3.16Å; A120-Q128 WeakPolarHBondContact CA-O 3.28Å; A120-L129 HydrophobicContact CB-CD2 3.7Å; A120-V155 HydrophobicContact CB-CG1 4.47Å; A120-V155 HydrophobicContact CB-CG2 4.13Å; A120-L157 HydrophobicContact CB-CD1 3.8Å; A120-L157 HydrophobicContact CB-CD2 3.94Å; A120-L157 HydrophobicContact CB-CG 3.78Å; A120-M162 HydrophobicContact CB-SD 4.23Å
121V92.5Very high78.1Confident0 Ų046.6 Ų46.60%026%0.257CS..EExtended strand (participates in β ladder)trans-116.6116.6178.3-173.90000109.2V69 A91 F94 L119 I123 C127 Q128 Y130V69-V121 HydrophobicContact CG2-CG1 3.9Å; V69-V121 HydrophobicContact CG2-CG2 4.13Å; A91-V121 HydrophobicContact CB-CG1 3.45Å; A91-V121 VanDerWaalsContact CB-CG1 3.45Å; F94-V121 HydrophobicContact CB-CG2 4.33Å; L119-V121 HydrophobicContact CD1-CG2 4.34Å; L119-V121 HydrophobicContact CD2-CG2 3.98Å; L119-V121 HydrophobicContact CG-CG2 3.87Å; V121-I123 HydrophobicContact CG1-CD1 4.42Å; V121-I123 HydrophobicContact CG1-CG1 4.07Å; V121-C127 CarbonylContact O-C 3.41Å; V121-C127 WeakPolarHBondContact O-CA 3.49Å; V121-Q128 PolarHBondContact N-O 3.31Å; V121-Q128 PolarHBondContact O-N 3.03Å; V121-Y130 HydrophobicContact CB-CE2 4.01Å; V121-Y130 HydrophobicContact CG2-CD2 3.91Å; V121-Y130 HydrophobicContact CG2-CE2 3.65Å
122A92.6Very high80.7Confident0 Ų042.7 Ų42.70%023%0.228CC..EExtended strand (participates in β ladder)trans-81.4123.4176.200000110.4A91 S92 C93 V152 V155A91-A122 CarbonylContact C-O 3.56Å; A91-A122 WeakPolarHBondContact CA-O 3.25Å; S92-A122 PolarHBondContact N-O 3.41Å; S92-A122 WeakPolarHBondContact OG-CB 3.36Å; S92-A122 PolarHBondContact OG-O 2.96Å; C93-A122 PolarHBondContact O-N 3.46Å; A122-V152 HydrophobicContact CB-CB 3.97Å; A122-V152 HydrophobicContact CB-CG1 3.79Å; A122-V155 HydrophobicContact CB-CG1 4.48Å
123I91.4Very high82.9Confident15 Ų1541.8 Ų41.88%0.07722%0.222CC..EExtended strand (participates in β ladder)trans-129.498.4-179.1-56.2170.3000108.1K87 K89 N90 A91 V121 R125 K126 Q128K87-I123 WeakPolarHBondContact O-CD1 3.07Å; K89-I123 WeakPolarHBondContact O-CG2 3.2Å; N90-I123 HydrophobicContact CB-CG2 4.42Å; A91-I123 HydrophobicContact CB-CG1 4.4Å; V121-I123 HydrophobicContact CG1-CD1 4.42Å; V121-I123 HydrophobicContact CG1-CG1 4.07Å; I123-R125 PolarHBondContact O-N 2.89Å; I123-K126 CarbonylContact C-O 3.58Å; I123-K126 HydrophobicContact CB-CG 4.4Å; I123-K126 PolarHBondContact N-O 3.33Å; I123-K126 WeakPolarHBondContact O-CG 3.16Å; I123-K126 PolarHBondContact O-N 3.19Å; I123-K126 VanDerWaalsContact O-N 3.08Å; I123-Q128 HydrophobicContact CD1-CG 4.06Å; I123-Q128 VanDerWaalsContact CD1-OE1 3.28Å
124R88.7Confident85Confident164 Ų16441.1 Ų41.162%0.61922%0.215SC*.THydrogen-bonded Turntrans50.9-108.1-175.5-60.6-179176.3-178.3-1111.3T151 V152R124-T151 CarbonylContact O-C 3.49Å; R124-T151 VanDerWaalsContact O-CA 3.24Å; R124-T151 WeakPolarHBondContact O-CA 3.41Å; R124-V152 PolarHBondContact O-N 3.33Å
125R91.7Very high86.4Confident143 Ų14341.2 Ų41.254%0.5421%0.21SC..THydrogen-bonded Turntrans-96.315.8-175.1-56.6-165.8172.5166.2-4.3114.1I123 F148 D150 T151I123-R125 PolarHBondContact O-N 2.89Å; R125-F148 PolarHBondContact O-N 3.05Å; R125-D150 WeakPolarHBondContact CA-O 3.34Å; R125-D150 IonicContact NE-OD1 3.73Å; R125-D150 IonicContact NH2-OD1 3.86Å; R125-T151 HydrophobicContact CG-CG2 4.49Å
126K91.5Very high87.6Confident58 Ų5842.3 Ų42.325%0.25221%0.212SC..EExtended strand (participates in β ladder)trans-143.4154.2178.961.8178.4-173.9170.20112.4I123 E145 V146 N147I123-K126 CarbonylContact C-O 3.58Å; I123-K126 HydrophobicContact CB-CG 4.4Å; I123-K126 PolarHBondContact N-O 3.33Å; I123-K126 WeakPolarHBondContact O-CG 3.16Å; I123-K126 PolarHBondContact O-N 3.19Å; I123-K126 VanDerWaalsContact O-N 3.08Å; K126-E145 IonicContact NZ-OE1 3.78Å; K126-E145 IonicContact NZ-OE2 2.78Å; K126-E145 PolarHBondContact NZ-OE2 2.95Å; K126-V146 CarbonylContact C-O 3.57Å; K126-V146 WeakPolarHBondContact CA-O 3.2Å; K126-V146 WeakPolarHBondContact CB-O 3.44Å; K126-N147 WeakPolarHBondContact CB-OD1 3.27Å
127C90.9Very high88.1Confident0 Ų037.9 Ų37.90%019%0.194CC..EExtended strand (participates in β ladder)trans-112.2123.6169.4-75.70000109V121 E145 V146 F148 M162V121-C127 CarbonylContact O-C 3.41Å; V121-C127 WeakPolarHBondContact O-CA 3.49Å; C127-E145 CarbonylContact O-C 3.53Å; C127-E145 WeakPolarHBondContact O-CA 3.3Å; C127-V146 PolarHBondContact N-O 3.35Å; C127-V146 PolarHBondContact O-N 3.41Å; C127-F148 HydrophobicContact CB-CE2 3.99Å; C127-M162 HydrophobicContact CB-CE 4.17Å; C127-M162 HydrophobicContact CB-SD 4.07Å
128Q91.2Very high88.1Confident16 Ų1641 Ų418%0.07521%0.213CC..EExtended strand (participates in β ladder)trans-97.8138.3173.4-62.5-165.4-44.500109.5K87 A120 V121 I123 Y130 E145K87-Q128 PolarHBondContact O-OE1 3.36Å; A120-Q128 WeakPolarHBondContact CA-O 3.28Å; V121-Q128 PolarHBondContact N-O 3.31Å; V121-Q128 PolarHBondContact O-N 3.03Å; I123-Q128 HydrophobicContact CD1-CG 4.06Å; I123-Q128 VanDerWaalsContact CD1-OE1 3.28Å; Q128-Y130 HydrophobicContact CB-CE2 3.68Å; Q128-Y130 PolarHBondContact OE1-OH 3.03Å; Q128-E145 HydrophobicContact CG-CB 4.05Å; Q128-E145 PolarHBondContact NE2-OE2 3.26Å
129L90.2Very high88Confident1 Ų143.6 Ų43.61%0.00523%0.227CC..EExtended strand (participates in β ladder)trans-109.7140.8-177-64161.8000110L119 A120 F140 L143 N144 L157 M162 L175L119-L129 CarbonylContact O-C 3.51Å; L119-L129 WeakPolarHBondContact O-CA 3.07Å; A120-L129 HydrophobicContact CB-CD2 3.7Å; L129-F140 HydrophobicContact CB-CB 3.82Å; L129-F140 HydrophobicContact CB-CD1 4.28Å; L129-F140 HydrophobicContact CB-CG 4.45Å; L129-F140 WeakPolarHBondContact O-CB 3.49Å; L129-F140 PolarHBondContact O-N 2.74Å; L129-L143 WeakPolarHBondContact CB-O 3.41Å; L129-L143 HydrophobicContact CD1-CB 4.03Å; L129-L143 HydrophobicContact CD1-CD2 3.76Å; L129-L143 HydrophobicContact CD1-CG 3.91Å; L129-L143 WeakPolarHBondContact CD1-O 3.47Å; L129-N144 PolarHBondContact N-O 3.46Å; L129-N144 VanDerWaalsContact N-O 3.09Å; L129-L157 HydrophobicContact CD2-CD2 4.08Å; L129-M162 HydrophobicContact CD2-SD 4.28Å; L129-L175 HydrophobicContact CD1-CD2 3.52Å; L129-L175 HydrophobicContact CD2-CD2 4.24Å
130Y89.7Confident87.5Confident1 Ų144.6 Ų44.60%0.00423%0.231CC..EExtended strand (participates in β ladder)trans-135.9149.6-179.2-53.4-98000109.9V85 P86 L118 L119 V121 Q128 F137 V138 I139V85-Y130 HydrophobicContact CG1-CD1 3.73Å; V85-Y130 HydrophobicContact CG1-CD2 3.92Å; V85-Y130 HydrophobicContact CG1-CE1 3.5Å; V85-Y130 VanDerWaalsContact CG1-CE1 3.5Å; V85-Y130 HydrophobicContact CG1-CE2 3.73Å; V85-Y130 HydrophobicContact CG1-CG 3.93Å; V85-Y130 VanDerWaalsContact CG1-CZ 3.49Å; P86-Y130 HydrophobicContact CG-CE1 4.06Å; P86-Y130 VanDerWaalsContact O-CE1 3.26Å; P86-Y130 WeakPolarHBondContact O-CE1 3.17Å; P86-Y130 PolarHBondContact O-OH 3.24Å; L118-Y130 CarbonylContact C-O 3.57Å; L118-Y130 WeakPolarHBondContact CA-O 3.44Å; L119-Y130 HydrophobicContact CD2-CD2 4.41Å; L119-Y130 PolarHBondContact N-O 3.48Å; L119-Y130 PolarHBondContact O-N 3.03Å; V121-Y130 HydrophobicContact CB-CE2 4.01Å; V121-Y130 HydrophobicContact CG2-CD2 3.91Å; V121-Y130 HydrophobicContact CG2-CE2 3.65Å; Q128-Y130 HydrophobicContact CB-CE2 3.68Å; Q128-Y130 PolarHBondContact OE1-OH 3.03Å; Y130-F137 HydrophobicContact CG-CB 4.43Å; Y130-V138 CarbonylContact C-O 3.58Å; Y130-V138 WeakPolarHBondContact CA-O 3.4Å; Y130-V138 WeakPolarHBondContact CB-O 3.26Å; Y130-I139 HydrophobicContact CD1-CG1 4.19Å; Y130-I139 HydrophobicContact CE1-CG1 3.93Å
131S87.8Confident86.7Confident29 Ų2949.7 Ų49.720%0.20327%0.267CS..EExtended strand (participates in β ladder)trans-113.614317255.50000109.6S133 F137 V138S131-S133 PolarHBondContact O-N 3.41Å; S131-F137 WeakPolarHBondContact O-CA 3.31Å; S131-V138 PolarHBondContact N-O 2.8Å; S131-V138 PolarHBondContact O-N 3.13Å
132L85.2Confident85.8Confident19 Ų1952.2 Ų52.210%0.09929%0.288CS..EExtended strand (participates in β ladder)trans-77.8118.3175.8-176.165.9000110S58 L60 I117 F137S58-L132 WeakPolarHBondContact OG-CD2 3.3Å; L60-L132 HydrophobicContact CD1-CD1 3.77Å; L60-L132 HydrophobicContact CD1-CD2 4.05Å; I117-L132 HydrophobicContact CB-CB 4.02Å; I117-L132 HydrophobicContact CB-CD2 4.19Å; I117-L132 HydrophobicContact CD1-CD2 3.94Å; I117-L132 HydrophobicContact CG1-CD2 4.34Å; I117-L132 PolarHBondContact O-N 3.24Å; L132-F137 HydrophobicContact CB-CD1 4.31Å; L132-F137 HydrophobicContact CB-CE1 3.84Å; L132-F137 HydrophobicContact CB-CZ 4.18Å; L132-F137 HydrophobicContact CD1-CD2 4.18Å; L132-F137 HydrophobicContact CD1-CE1 4.23Å; L132-F137 HydrophobicContact CD1-CE2 3.82Å; L132-F137 HydrophobicContact CD1-CZ 3.87Å; L132-F137 HydrophobicContact CG-CZ 4.48Å
133S82.5Confident85.1Confident77 Ų7753.4 Ų53.454%0.53829%0.294SS..EExtended strand (participates in β ladder)trans-117.5100.6172.5174.10000108.7S131 K135 D136S131-S133 PolarHBondContact O-N 3.41Å; S133-K135 PolarHBondContact O-N 2.81Å; S133-D136 PolarHBondContact N-O 3.29Å; S133-D136 PolarHBondContact O-N 3.27Å
134G79.7Confident84.7Confident66 Ų6656.9 Ų56.968%0.6831%0.313SS*.THydrogen-bonded Turntrans68.8-107.7-172.600000111.5
135K79.6Confident84.7Confident106 Ų10652.4 Ų52.446%0.46130%0.299SS..THydrogen-bonded Turntrans-111.40.3176.7-67.4-170173.1-167.10113.7D73 L82 S133D73-K135 IonicContact OD2-NZ 3.2Å; D73-K135 PolarHBondContact OD2-NZ 2.77Å; L82-K135 HydrophobicContact CD1-CD 4.06Å; L82-K135 HydrophobicContact CD2-CD 4.48Å; S133-K135 PolarHBondContact O-N 2.81Å
136D83.7Confident84.6Confident83 Ų8346.1 Ų46.144%0.44428%0.276SS..EExtended strand (participates in β ladder)trans-115.3142.9-175.7-68.6-33.6000111.8S83 S133S83-D136 WeakPolarHBondContact CB-OD1 3.49Å; S83-D136 PolarHBondContact OG-OD1 3.15Å; S133-D136 PolarHBondContact N-O 3.29Å; S133-D136 PolarHBondContact O-N 3.27Å
137F85.7Confident84.6Confident7 Ų748.1 Ų48.13%0.03129%0.29CS..EExtended strand (participates in β ladder)trans-89114.6173-79.5-80.9000110.3L55 L62 V71 V85 P86 L119 Y130 S131 L132L55-F137 HydrophobicContact CD1-CZ 4.07Å; L62-F137 HydrophobicContact CD1-CE2 4.41Å; L62-F137 HydrophobicContact CD1-CZ 4.34Å; L62-F137 HydrophobicContact CD2-CE2 3.74Å; L62-F137 HydrophobicContact CD2-CZ 4.44Å; V71-F137 HydrophobicContact CG2-CD2 3.79Å; V71-F137 HydrophobicContact CG2-CE2 4.12Å; V85-F137 HydrophobicContact CG1-CB 4.4Å; V85-F137 HydrophobicContact CG2-CB 4.18Å; V85-F137 HydrophobicContact CG2-CD2 4.28Å; V85-F137 HydrophobicContact CG2-CG 4.46Å; P86-F137 WeakPolarHBondContact CD-O 3.23Å; L119-F137 HydrophobicContact CB-CD1 3.65Å; L119-F137 HydrophobicContact CB-CE1 3.46Å; L119-F137 VanDerWaalsContact CB-CE1 3.46Å; L119-F137 HydrophobicContact CB-CZ 4.22Å; L119-F137 HydrophobicContact CD2-CB 4.41Å; L119-F137 HydrophobicContact CD2-CD1 3.78Å; L119-F137 HydrophobicContact CD2-CD2 4.07Å; L119-F137 HydrophobicContact CD2-CE1 4.03Å; L119-F137 HydrophobicContact CD2-CE2 4.33Å; L119-F137 HydrophobicContact CD2-CG 3.79Å; L119-F137 HydrophobicContact CD2-CZ 4.29Å; L119-F137 HydrophobicContact CG-CD1 4.37Å; L119-F137 HydrophobicContact CG-CE1 4.35Å; Y130-F137 HydrophobicContact CG-CB 4.43Å; S131-F137 WeakPolarHBondContact O-CA 3.31Å; L132-F137 HydrophobicContact CB-CD1 4.31Å; L132-F137 HydrophobicContact CB-CE1 3.84Å; L132-F137 HydrophobicContact CB-CZ 4.18Å; L132-F137 HydrophobicContact CD1-CD2 4.18Å; L132-F137 HydrophobicContact CD1-CE1 4.23Å; L132-F137 HydrophobicContact CD1-CE2 3.82Å; L132-F137 HydrophobicContact CD1-CZ 3.87Å; L132-F137 HydrophobicContact CG-CZ 4.48Å
138V85.1Confident84.6Confident74 Ų7448.9 Ų48.945%0.44829%0.293SS..EExtended strand (participates in β ladder)trans-100.4144.8176.9-175.10000108.8Y130 S131 F140Y130-V138 CarbonylContact C-O 3.58Å; Y130-V138 WeakPolarHBondContact CA-O 3.4Å; Y130-V138 WeakPolarHBondContact CB-O 3.26Å; S131-V138 PolarHBondContact N-O 2.8Å; S131-V138 PolarHBondContact O-N 3.13Å; V138-F140 PolarHBondContact O-N 3Å
139I85.5Confident84.4Confident57 Ų5752.2 Ų52.229%0.29232%0.319SS..EExtended strand (participates in β ladder)trans-54.6131.2178.2-62171.1000109.1K87 Y130 S141 N144K87-I139 HydrophobicContact CD-CD1 4.27Å; Y130-I139 HydrophobicContact CD1-CG1 4.19Å; Y130-I139 HydrophobicContact CE1-CG1 3.93Å; I139-S141 PolarHBondContact O-N 2.69Å; I139-N144 HydrophobicContact CG2-CB 3.93Å; I139-N144 VanDerWaalsContact CG2-OD1 3.23Å; I139-N144 WeakPolarHBondContact CG2-OD1 3.46Å
140F81.2Confident84.3Confident20 Ų2053.9 Ų53.99%0.08833%0.328CS..  trans-72.4115-176.4-176.6-119.3000110.9W99 L118 L129 V138 A142 L143 N144 V176W99-F140 HydrophobicContact CE3-CE2 4.26Å; W99-F140 HydrophobicContact CE3-CZ 4.33Å; W99-F140 AromaticContact CH2-CE1 3.78Å; W99-F140 HydrophobicContact CH2-CE1 3.78Å; W99-F140 AromaticContact CH2-CE2 3.89Å; W99-F140 HydrophobicContact CH2-CE2 3.89Å; W99-F140 AromaticContact CH2-CZ 3.19Å; W99-F140 HydrophobicContact CH2-CZ 3.19Å; W99-F140 HydrophobicContact CZ2-CZ 4.46Å; W99-F140 HydrophobicContact CZ3-CD2 4.2Å; W99-F140 AromaticContact CZ3-CE1 3.74Å; W99-F140 HydrophobicContact CZ3-CE1 3.74Å; W99-F140 AromaticContact CZ3-CE2 3.33Å; W99-F140 HydrophobicContact CZ3-CE2 3.33Å; W99-F140 AromaticContact CZ3-CZ 3.08Å; W99-F140 HydrophobicContact CZ3-CZ 3.08Å; L118-F140 HydrophobicContact CD2-CD2 3.89Å; L118-F140 HydrophobicContact CD2-CE2 4.22Å; L118-F140 HydrophobicContact CD2-CG 4.12Å; L129-F140 HydrophobicContact CB-CB 3.82Å; L129-F140 HydrophobicContact CB-CD1 4.28Å; L129-F140 HydrophobicContact CB-CG 4.45Å; L129-F140 WeakPolarHBondContact O-CB 3.49Å; L129-F140 PolarHBondContact O-N 2.74Å; V138-F140 PolarHBondContact O-N 3Å; F140-A142 HydrophobicContact CD1-CB 4.43Å; F140-A142 HydrophobicContact CE1-CB 3.58Å; F140-A142 HydrophobicContact CZ-CB 3.57Å; F140-A142 PolarHBondContact O-N 3.45Å; F140-L143 HydrophobicContact CD1-CB 4.3Å; F140-L143 HydrophobicContact CE1-CB 4.45Å; F140-L143 CarbonylContact O-C 3.25Å; F140-L143 VanDerWaalsContact O-C 3.25Å; F140-L143 PolarHBondContact O-N 3.37Å; F140-N144 PolarHBondContact O-N 3.26Å; F140-N144 PolarHBondContact O-OD1 3.16Å; F140-V176 HydrophobicContact CE1-CG2 4.34Å; F140-V176 HydrophobicContact CZ-CG2 4.21Å
141S74.9Confident84.2Confident107 Ų10756.9 Ų56.975%0.74835%0.346SS*.SBendtrans-65.6-34.7-167.451.10000114.6I139I139-S141 PolarHBondContact O-N 2.69Å
142A72.5Confident84.2Confident54 Ų5455.8 Ų55.845%0.44634%0.338SS..SBendtrans-73.6-32-177.500000112.4F140 V176F140-A142 HydrophobicContact CD1-CB 4.43Å; F140-A142 HydrophobicContact CE1-CB 3.58Å; F140-A142 HydrophobicContact CZ-CB 3.57Å; F140-A142 PolarHBondContact O-N 3.45Å; A142-V176 HydrophobicContact CB-CG2 4.23Å
143L79.5Confident84.3Confident24 Ų2460.1 Ų60.113%0.12635%0.353CS..  trans-149.498.7177.2-171.665.5000109.9L129 F140 V146 L175L129-L143 WeakPolarHBondContact CB-O 3.41Å; L129-L143 HydrophobicContact CD1-CB 4.03Å; L129-L143 HydrophobicContact CD1-CD2 3.76Å; L129-L143 HydrophobicContact CD1-CG 3.91Å; L129-L143 WeakPolarHBondContact CD1-O 3.47Å; F140-L143 HydrophobicContact CD1-CB 4.3Å; F140-L143 HydrophobicContact CE1-CB 4.45Å; F140-L143 CarbonylContact O-C 3.25Å; F140-L143 VanDerWaalsContact O-C 3.25Å; F140-L143 PolarHBondContact O-N 3.37Å; L143-V146 HydrophobicContact CD2-CG2 3.69Å; L143-V146 HydrophobicContact CG-CG2 4.19Å; L143-L175 HydrophobicContact CD2-CD2 3.89Å
144N82.8Confident84.5Confident88 Ų8857.6 Ų57.647%0.47134%0.336SS..  trans-70.2-44.1-174.7-64.1-35.4000112.7L129 I139 F140L129-N144 PolarHBondContact N-O 3.46Å; L129-N144 VanDerWaalsContact N-O 3.09Å; I139-N144 HydrophobicContact CG2-CB 3.93Å; I139-N144 VanDerWaalsContact CG2-OD1 3.23Å; I139-N144 WeakPolarHBondContact CG2-OD1 3.46Å; F140-N144 PolarHBondContact O-N 3.26Å; F140-N144 PolarHBondContact O-OD1 3.16Å
145E88.6Confident85.1Confident71 Ų7155 Ų5533%0.33231%0.306SS..EExtended strand (participates in β ladder)trans-154150.2-178.363.9-179.1-155.600113K126 C127 Q128K126-E145 IonicContact NZ-OE1 3.78Å; K126-E145 IonicContact NZ-OE2 2.78Å; K126-E145 PolarHBondContact NZ-OE2 2.95Å; C127-E145 CarbonylContact O-C 3.53Å; C127-E145 WeakPolarHBondContact O-CA 3.3Å; Q128-E145 HydrophobicContact CG-CB 4.05Å; Q128-E145 PolarHBondContact NE2-OE2 3.26Å
146V89.9Confident85.7Confident10 Ų1050.1 Ų50.16%0.06129%0.286CS..EExtended strand (participates in β ladder)trans-116.9125175.3-178.90000108.3K126 C127 L143 F148 M162 V173 M186K126-V146 CarbonylContact C-O 3.57Å; K126-V146 WeakPolarHBondContact CA-O 3.2Å; K126-V146 WeakPolarHBondContact CB-O 3.44Å; C127-V146 PolarHBondContact N-O 3.35Å; C127-V146 PolarHBondContact O-N 3.41Å; L143-V146 HydrophobicContact CD2-CG2 3.69Å; L143-V146 HydrophobicContact CG-CG2 4.19Å; V146-F148 HydrophobicContact CB-CE2 4.2Å; V146-F148 HydrophobicContact CB-CZ 4.37Å; V146-F148 HydrophobicContact CG1-CE1 4.19Å; V146-F148 HydrophobicContact CG1-CE2 3.86Å; V146-F148 HydrophobicContact CG1-CZ 3.66Å; V146-M162 HydrophobicContact CB-CE 4.07Å; V146-M162 HydrophobicContact CG1-CE 4.25Å; V146-M162 HydrophobicContact CG2-CE 3.89Å; V146-V173 HydrophobicContact CG1-CG1 4.2Å; V146-V173 HydrophobicContact CG1-CG2 4.26Å; V146-V173 HydrophobicContact CG2-CG1 4.08Å; V146-M186 HydrophobicContact CG1-CE 3.49Å; V146-M186 VanDerWaalsContact CG1-CE 3.49Å
147N90.8Very high86Confident100 Ų10046.4 Ų46.454%0.53527%0.266SS..EExtended strand (participates in β ladder)trans-97.9138.5-179.9-67.5-62.2000110.9K126 M186K126-N147 WeakPolarHBondContact CB-OD1 3.27Å; N147-M186 WeakPolarHBondContact O-CE 3.24Å
148F89.9Confident86Confident16 Ų1646.2 Ų46.27%0.0727%0.265CS..  trans-119.9160.6179.6-62-82.5000111.2R125 C127 V146 D150 V152 M162 A164 V166 F171 V173 M186R125-F148 PolarHBondContact O-N 3.05Å; C127-F148 HydrophobicContact CB-CE2 3.99Å; V146-F148 HydrophobicContact CB-CE2 4.2Å; V146-F148 HydrophobicContact CB-CZ 4.37Å; V146-F148 HydrophobicContact CG1-CE1 4.19Å; V146-F148 HydrophobicContact CG1-CE2 3.86Å; V146-F148 HydrophobicContact CG1-CZ 3.66Å; F148-D150 VanDerWaalsContact C-N 3.29Å; F148-D150 PolarHBondContact O-N 2.93Å; F148-V152 HydrophobicContact CB-CG2 4.4Å; F148-V152 HydrophobicContact CD2-CG2 3.34Å; F148-V152 HydrophobicContact CE2-CG2 3.76Å; F148-V152 HydrophobicContact CG-CG2 4.01Å; F148-M162 HydrophobicContact CZ-CE 3.98Å; F148-A164 HydrophobicContact CE1-CB 3.77Å; F148-A164 HydrophobicContact CE2-CB 4.15Å; F148-A164 HydrophobicContact CZ-CB 3.44Å; F148-A164 VanDerWaalsContact CZ-CB 3.44Å; F148-V166 HydrophobicContact CB-CG1 4.12Å; F148-V166 HydrophobicContact CB-CG2 3.91Å; F148-V166 HydrophobicContact CD1-CG2 3.5Å; F148-V166 HydrophobicContact CD2-CG2 4.41Å; F148-V166 HydrophobicContact CE1-CG2 4.07Å; F148-V166 HydrophobicContact CG-CG2 3.69Å; F148-F171 HydrophobicContact CD1-CD2 4.18Å; F148-F171 HydrophobicContact CD1-CG 4.38Å; F148-F171 HydrophobicContact CE1-CB 3.97Å; F148-F171 HydrophobicContact CE1-CD2 4.42Å; F148-F171 HydrophobicContact CE1-CG 4.31Å; F148-V173 HydrophobicContact CE1-CG2 4.3Å; F148-V173 HydrophobicContact CZ-CG2 4.31Å; F148-M186 HydrophobicContact CD1-CE 3.47Å; F148-M186 VanDerWaalsContact CD1-CE 3.47Å; F148-M186 HydrophobicContact CD1-SD 4.01Å; F148-M186 HydrophobicContact CE1-CE 3.31Å; F148-M186 HydrophobicContact CE1-SD 4.08Å; F148-M186 HydrophobicContact CG-CE 4.34Å; F148-M186 HydrophobicContact CZ-CE 4.06Å
149S87Confident85.9Confident87 Ų8743.5 Ų43.561%0.60825%0.253SS*.SBendtrans-66.1-30.8179.454.70000113
150D88.6Confident85.9Confident36 Ų3642.3 Ų42.319%0.19325%0.247CC..SBendtrans-143.5-174.1-177.7-146.1-17.9000112.4R125 F148 V152 V166 R167R125-D150 WeakPolarHBondContact CA-O 3.34Å; R125-D150 IonicContact NE-OD1 3.73Å; R125-D150 IonicContact NH2-OD1 3.86Å; F148-D150 VanDerWaalsContact C-N 3.29Å; F148-D150 PolarHBondContact O-N 2.93Å; D150-V152 PolarHBondContact O-N 3Å; D150-V166 HydrophobicContact CB-CG1 3.88Å; D150-V166 WeakPolarHBondContact O-CG1 3.43Å; D150-R167 HydrophobicContact CB-CB 4.22Å; D150-R167 WeakPolarHBondContact OD2-CD 3.35Å; D150-R167 IonicContact OD2-NH1 3.86Å
151T86.8Confident86.3Confident64 Ų6443.1 Ų43.139%0.39325%0.249SC..  trans-68.5128.2-175.658.10000112.7R124 R125 R153 R167R124-T151 CarbonylContact O-C 3.49Å; R124-T151 VanDerWaalsContact O-CA 3.24Å; R124-T151 WeakPolarHBondContact O-CA 3.41Å; R125-T151 HydrophobicContact CG-CG2 4.49Å; T151-R153 PolarHBondContact O-N 3.42Å; T151-R167 PolarHBondContact O-N 2.92Å
152V88.6Confident87.1Confident5 Ų538 Ų383%0.0321%0.214CC..EExtended strand (participates in β ladder)trans-72.6121.7174.7-176.40000109.4S92 A122 R124 F148 D150 A164 V166S92-V152 PolarHBondContact OG-O 3.43Å; A122-V152 HydrophobicContact CB-CB 3.97Å; A122-V152 HydrophobicContact CB-CG1 3.79Å; R124-V152 PolarHBondContact O-N 3.33Å; F148-V152 HydrophobicContact CB-CG2 4.4Å; F148-V152 HydrophobicContact CD2-CG2 3.34Å; F148-V152 HydrophobicContact CE2-CG2 3.76Å; F148-V152 HydrophobicContact CG-CG2 4.01Å; D150-V152 PolarHBondContact O-N 3Å; V152-A164 HydrophobicContact CG1-CB 4.29Å; V152-V166 HydrophobicContact CG2-CG2 4.19Å
153R86.3Confident88Confident110 Ų11035.4 Ų35.442%0.41519%0.192SC..EExtended strand (participates in β ladder)trans-92.5-37.6-179.5-67.4-173.8174.7-173.91.9112.9T151 A165 R167 S201T151-R153 PolarHBondContact O-N 3.42Å; R153-A165 PolarHBondContact N-O 3.44Å; R153-R167 PolarHBondContact NE-O 3.36Å; R153-R167 PolarHBondContact NH1-O 3.32Å; R153-S201 WeakPolarHBondContact CB-OG 3.44Å
154S87.7Confident88.6Confident25 Ų2534.3 Ų34.318%0.17519%0.187CC..EExtended strand (participates in β ladder)trans-149.3148.8-179.9-174.70000109.4A164 A165S154-A164 WeakPolarHBondContact O-CA 3.47Å; S154-A165 PolarHBondContact O-N 3.39Å
155V92.2Very high89Confident10 Ų1030.2 Ų30.26%0.06117%0.165CC..EExtended strand (participates in β ladder)trans-139.5141.9177.967.50000109.1S95 A120 A122 M162 V163S95-V155 VanDerWaalsContact CB-O 3.32Å; S95-V155 WeakPolarHBondContact CB-O 3.4Å; A120-V155 HydrophobicContact CB-CG1 4.47Å; A120-V155 HydrophobicContact CB-CG2 4.13Å; A122-V155 HydrophobicContact CB-CG1 4.48Å; V155-M162 HydrophobicContact CG2-CG 3.64Å; V155-M162 HydrophobicContact CG2-SD 3.59Å; V155-M162 VanDerWaalsContact CG2-SD 3.59Å; V155-V163 CarbonylContact C-O 3.46Å; V155-V163 WeakPolarHBondContact CA-O 3.39Å
156A91.9Very high89Confident5 Ų527 Ų274%0.04115%0.15CC..EExtended strand (participates in β ladder)trans-134.8138.1172.100000110.2M162 V163 I203 V205A156-M162 WeakPolarHBondContact O-CA 3.49Å; A156-V163 PolarHBondContact N-O 3.45Å; A156-V163 PolarHBondContact O-N 2.99Å; A156-I203 HydrophobicContact CB-CB 3.84Å; A156-I203 HydrophobicContact CB-CD1 4.15Å; A156-I203 HydrophobicContact CB-CG2 3.47Å; A156-I203 VanDerWaalsContact CB-CG2 3.47Å; A156-V205 HydrophobicContact CB-CG2 3.87Å
157L90.2Very high88.6Confident4 Ų432.8 Ų32.82%0.02117%0.171CC..EExtended strand (participates in β ladder)trans-98.8137.2174.5-74.8174.4000110.4S95 C97 L118 A120 L129 M162 L175S95-L157 WeakPolarHBondContact O-CD1 3.21Å; S95-L157 PolarHBondContact OG-N 2.87Å; C97-L157 HydrophobicContact CB-CB 3.72Å; L118-L157 HydrophobicContact CB-CD1 3.79Å; A120-L157 HydrophobicContact CB-CD1 3.8Å; A120-L157 HydrophobicContact CB-CD2 3.94Å; A120-L157 HydrophobicContact CB-CG 3.78Å; L129-L157 HydrophobicContact CD2-CD2 4.08Å; L157-M162 HydrophobicContact CD2-CB 4.05Å; L157-M162 HydrophobicContact CD2-CG 4.12Å; L157-L175 HydrophobicContact CD2-CD1 3.48Å; L157-L175 VanDerWaalsContact CD2-CD1 3.48Å
158L86.8Confident88.3Confident3 Ų330.6 Ų30.62%0.01616%0.159CC..EExtended strand (participates in β ladder)trans-12944.9-172.8-52176.6000110.8N160 Y161 V163 V205 F212 F225L158-N160 PolarHBondContact O-N 3.42Å; L158-N160 VanDerWaalsContact O-N 3.1Å; L158-Y161 WeakPolarHBondContact CA-O 3.18Å; L158-Y161 PolarHBondContact N-O 3.29Å; L158-V163 HydrophobicContact CD1-CG2 3.57Å; L158-V163 HydrophobicContact CG-CG2 4.5Å; L158-V205 HydrophobicContact CD2-CB 4.1Å; L158-V205 HydrophobicContact CD2-CG1 3.48Å; L158-V205 VanDerWaalsContact CD2-CG1 3.48Å; L158-V205 HydrophobicContact CD2-CG2 3.48Å; L158-V205 VanDerWaalsContact CD2-CG2 3.48Å; L158-F212 HydrophobicContact CD1-CB 4.35Å; L158-F212 HydrophobicContact CD1-CD1 3.31Å; L158-F212 HydrophobicContact CD1-CE1 3.64Å; L158-F212 HydrophobicContact CD1-CG 3.92Å; L158-F212 HydrophobicContact CD2-CB 4.05Å; L158-F212 HydrophobicContact CD2-CD1 4.45Å; L158-F212 HydrophobicContact CD2-CG 4.49Å; L158-F225 HydrophobicContact CB-CD1 4.24Å; L158-F225 HydrophobicContact CB-CD2 3.97Å; L158-F225 HydrophobicContact CB-CE1 4.41Å; L158-F225 HydrophobicContact CB-CE2 4.16Å; L158-F225 HydrophobicContact CB-CG 4.02Å; L158-F225 HydrophobicContact CB-CZ 4.37Å; L158-F225 HydrophobicContact CD1-CD1 4.2Å; L158-F225 HydrophobicContact CD1-CG 4.47Å; L158-F225 HydrophobicContact CD2-CD1 4.17Å; L158-F225 HydrophobicContact CD2-CE1 3.83Å; L158-F225 HydrophobicContact CD2-CZ 4.15Å; L158-F225 HydrophobicContact CG-CD1 4.46Å
159G82.9Confident88.2Confident18 Ų1832.1 Ų32.119%0.18617%0.167CC..THydrogen-bonded Turntrans68.7-105.1-17200000110.7Y161G159-Y161 PolarHBondContact O-N 3.07Å
160N85.5Confident88.4Confident31 Ų3128 Ų2817%0.16614%0.138CC..THydrogen-bonded Turntrans-76-6.3-178.4-64.9-5.8000114.1W99 L158 L175 V176W99-N160 PolarHBondContact NE1-OD1 3.11Å; L158-N160 PolarHBondContact O-N 3.42Å; L158-N160 VanDerWaalsContact O-N 3.1Å; N160-L175 WeakPolarHBondContact O-CB 3.35Å; N160-L175 PolarHBondContact O-N 3.25Å; N160-V176 PolarHBondContact O-N 3.15Å
161Y88.8Confident88.5Confident37 Ų3727.4 Ų27.415%0.14513%0.133CC..EExtended strand (participates in β ladder)trans-127.9160.3-176.8-48.9-82.9000112L158 G159 H172 V173 T174 F225L158-Y161 WeakPolarHBondContact CA-O 3.18Å; L158-Y161 PolarHBondContact N-O 3.29Å; G159-Y161 PolarHBondContact O-N 3.07Å; Y161-H172 AromaticContact CD1-CE1 3.26Å; Y161-H172 WeakPolarHBondContact CD1-CE1 3.34Å; Y161-H172 AromaticContact CD1-NE2 3.37Å; Y161-H172 WeakPolarHBondContact CD1-NE2 3.47Å; Y161-H172 AromaticContact CE1-CE1 3.85Å; Y161-H172 AromaticContact CG-CE1 3.9Å; Y161-H172 AromaticContact CG-NE2 3.49Å; Y161-V173 CarbonylContact C-O 3.44Å; Y161-V173 WeakPolarHBondContact CA-O 3.34Å; Y161-T174 HydrophobicContact CD1-CG2 4.31Å; Y161-T174 HydrophobicContact CE1-CG2 4.18Å; Y161-F225 HydrophobicContact CD2-CB 4.09Å; Y161-F225 WeakPolarHBondContact CD2-O 3.35Å; Y161-F225 HydrophobicContact CE2-CB 4.38Å; Y161-F225 VanDerWaalsContact CG-O 3.25Å
162M91.2Very high88.8Confident0 Ų024.6 Ų24.60%012%0.116CC..EExtended strand (participates in β ladder)trans-131.8140.4173.3179.9-17666.700109.3A120 C127 L129 V146 F148 V155 A156 L157 H172 V173 L175A120-M162 HydrophobicContact CB-SD 4.23Å; C127-M162 HydrophobicContact CB-CE 4.17Å; C127-M162 HydrophobicContact CB-SD 4.07Å; L129-M162 HydrophobicContact CD2-SD 4.28Å; V146-M162 HydrophobicContact CB-CE 4.07Å; V146-M162 HydrophobicContact CG1-CE 4.25Å; V146-M162 HydrophobicContact CG2-CE 3.89Å; F148-M162 HydrophobicContact CZ-CE 3.98Å; V155-M162 HydrophobicContact CG2-CG 3.64Å; V155-M162 HydrophobicContact CG2-SD 3.59Å; V155-M162 VanDerWaalsContact CG2-SD 3.59Å; A156-M162 WeakPolarHBondContact O-CA 3.49Å; L157-M162 HydrophobicContact CD2-CB 4.05Å; L157-M162 HydrophobicContact CD2-CG 4.12Å; M162-H172 CarbonylContact O-C 3.3Å; M162-V173 HydrophobicContact CB-CB 4.37Å; M162-V173 HydrophobicContact CE-CB 3.96Å; M162-V173 HydrophobicContact CE-CG1 4.23Å; M162-V173 HydrophobicContact CE-CG2 3.94Å; M162-V173 PolarHBondContact N-O 2.94Å; M162-V173 PolarHBondContact O-N 3.33Å; M162-L175 HydrophobicContact CB-CD1 4.15Å; M162-L175 HydrophobicContact CB-CD2 3.75Å; M162-L175 HydrophobicContact CB-CG 4.05Å
163V92.2Very high88.8Confident0 Ų024.4 Ų24.40%012%0.115CC..EExtended strand (participates in β ladder)trans-116.5131.5171.9-179.20000108.7V155 A156 L158 Y170 F171 L189 I203 F212V155-V163 CarbonylContact C-O 3.46Å; V155-V163 WeakPolarHBondContact CA-O 3.39Å; A156-V163 PolarHBondContact N-O 3.45Å; A156-V163 PolarHBondContact O-N 2.99Å; L158-V163 HydrophobicContact CD1-CG2 3.57Å; L158-V163 HydrophobicContact CG-CG2 4.5Å; V163-Y170 HydrophobicContact CG1-CD1 4.3Å; V163-F171 CarbonylContact C-O 3.51Å; V163-F171 VanDerWaalsContact CA-O 3.26Å; V163-F171 WeakPolarHBondContact CA-O 3.49Å; V163-L189 HydrophobicContact CG1-CD1 4.27Å; V163-I203 HydrophobicContact CB-CD1 4.14Å; V163-I203 HydrophobicContact CB-CG2 4.46Å; V163-I203 HydrophobicContact CG1-CD1 3.8Å; V163-I203 HydrophobicContact CG1-CG1 4.31Å; V163-I203 HydrophobicContact CG1-CG2 4.44Å; V163-I203 WeakPolarHBondContact O-CD1 3.44Å; V163-F212 HydrophobicContact CB-CE2 4.46Å; V163-F212 HydrophobicContact CG1-CE2 4.09Å; V163-F212 HydrophobicContact CG2-CD1 4.43Å; V163-F212 HydrophobicContact CG2-CD2 4.18Å; V163-F212 HydrophobicContact CG2-CE1 3.96Å; V163-F212 HydrophobicContact CG2-CE2 3.73Å; V163-F212 HydrophobicContact CG2-CZ 3.59Å
164A91.9Very high88.9Confident0 Ų019.5 Ų19.50%010%0.097CC..EExtended strand (participates in β ladder)trans-127.7130.8-179.800000110.7F148 V152 S154 V166 F171F148-A164 HydrophobicContact CE1-CB 3.77Å; F148-A164 HydrophobicContact CE2-CB 4.15Å; F148-A164 HydrophobicContact CZ-CB 3.44Å; F148-A164 VanDerWaalsContact CZ-CB 3.44Å; V152-A164 HydrophobicContact CG1-CB 4.29Å; S154-A164 WeakPolarHBondContact O-CA 3.47Å; A164-V166 HydrophobicContact CB-CG2 4.41Å; A164-F171 PolarHBondContact N-O 2.83Å; A164-F171 PolarHBondContact O-N 2.8Å
165A90.3Very high88.6Confident3 Ų318.4 Ų18.43%0.0259%0.089CC..EExtended strand (participates in β ladder)trans-91.1115.3170.700000109.1R153 S154 Y170 S201R153-A165 PolarHBondContact N-O 3.44Å; S154-A165 PolarHBondContact O-N 3.39Å; A165-Y170 HydrophobicContact CB-CD1 3.85Å; A165-Y170 HydrophobicContact CB-CE1 3.59Å; A165-S201 WeakPolarHBondContact CB-OG 3.23Å
166V88.7Confident87.8Confident3 Ų319.6 Ų19.62%0.01810%0.097CC..EExtended strand (participates in β ladder)trans-120112-176.3-178.80000108.2F148 D150 V152 A164 D168 E169 F171F148-V166 HydrophobicContact CB-CG1 4.12Å; F148-V166 HydrophobicContact CB-CG2 3.91Å; F148-V166 HydrophobicContact CD1-CG2 3.5Å; F148-V166 HydrophobicContact CD2-CG2 4.41Å; F148-V166 HydrophobicContact CE1-CG2 4.07Å; F148-V166 HydrophobicContact CG-CG2 3.69Å; D150-V166 HydrophobicContact CB-CG1 3.88Å; D150-V166 WeakPolarHBondContact O-CG1 3.43Å; V152-V166 HydrophobicContact CG2-CG2 4.19Å; A164-V166 HydrophobicContact CB-CG2 4.41Å; V166-D168 PolarHBondContact O-N 2.93Å; V166-E169 PolarHBondContact N-O 2.96Å; V166-E169 PolarHBondContact O-N 3.43Å; V166-F171 HydrophobicContact CB-CD2 3.89Å; V166-F171 HydrophobicContact CB-CE2 3.86Å; V166-F171 HydrophobicContact CG1-CE2 4.44Å; V166-F171 HydrophobicContact CG2-CD2 3.74Å; V166-F171 HydrophobicContact CG2-CE2 4.14Å
167R83.3Confident86.3Confident132 Ų13220.5 Ų20.550%0.49811%0.106SC..THydrogen-bonded Turntrans52-90.8-175.8-174.6-173172.8154.1-6.2113.4D150 T151 R153 Y195D150-R167 HydrophobicContact CB-CB 4.22Å; D150-R167 WeakPolarHBondContact OD2-CD 3.35Å; D150-R167 IonicContact OD2-NH1 3.86Å; T151-R167 PolarHBondContact O-N 2.92Å; R153-R167 PolarHBondContact NE-O 3.36Å; R153-R167 PolarHBondContact NH1-O 3.32Å; R167-Y195 WeakPolarHBondContact O-CD2 3.32Å; R167-Y195 WeakPolarHBondContact O-CE2 3.49Å
168D83.1Confident84.8Confident54 Ų5424 Ų2429%0.28913%0.125SC..THydrogen-bonded Turntrans-124.614.8-175.655.2-24.3000112.9V166 T191 V192V166-D168 PolarHBondContact O-N 2.93Å; D168-T191 CarbonylContact O-C 3.46Å; D168-T191 WeakPolarHBondContact O-CA 3.5Å; D168-V192 PolarHBondContact O-N 3.4Å
169E88.3Confident83.3Confident48 Ų4830.7 Ų30.722%0.22417%0.166CC..EExtended strand (participates in β ladder)trans-136.1144.9-177.4-170.9166.9-156.800111.6V166 F171 S188 T191V166-E169 PolarHBondContact N-O 2.96Å; V166-E169 PolarHBondContact O-N 3.43Å; E169-F171 HydrophobicContact CB-CE2 3.88Å; E169-F171 HydrophobicContact CB-CZ 4.31Å; E169-F171 HydrophobicContact CG-CD2 4.31Å; E169-F171 HydrophobicContact CG-CE1 4.39Å; E169-F171 HydrophobicContact CG-CE2 3.76Å; E169-F171 HydrophobicContact CG-CZ 3.82Å; E169-F171 WeakPolarHBondContact OE2-CZ 3.42Å; E169-S188 WeakPolarHBondContact OE1-CB 3.49Å; E169-S188 PolarHBondContact OE1-OG 3.11Å; E169-T191 HydrophobicContact CB-CG2 4.33Å; E169-T191 HydrophobicContact CG-CG2 4.06Å
170Y90.9Very high82.2Confident0 Ų037.4 Ų37.40%020%0.198CC..EExtended strand (participates in β ladder)trans-102.6126.3171.7-76.8-89.5000110.1V163 A165 L189 F190 V192 F202 I203 C214 R215V163-Y170 HydrophobicContact CG1-CD1 4.3Å; A165-Y170 HydrophobicContact CB-CD1 3.85Å; A165-Y170 HydrophobicContact CB-CE1 3.59Å; Y170-L189 PolarHBondContact O-N 3.27Å; Y170-F190 HydrophobicContact CD2-CD2 4.41Å; Y170-F190 HydrophobicContact CD2-CE1 4.17Å; Y170-F190 AromaticContact CD2-CE2 3.66Å; Y170-F190 HydrophobicContact CD2-CE2 3.66Å; Y170-F190 AromaticContact CD2-CZ 3.52Å; Y170-F190 HydrophobicContact CD2-CZ 3.52Å; Y170-F190 HydrophobicContact CE2-CE2 4.04Å; Y170-F190 AromaticContact CE2-CZ 3.94Å; Y170-F190 HydrophobicContact CE2-CZ 3.94Å; Y170-F190 HydrophobicContact CG-CE1 4.42Å; Y170-F190 HydrophobicContact CG-CZ 4.15Å; Y170-F190 PolarHBondContact N-O 2.89Å; Y170-F190 VanDerWaalsContact N-O 3.13Å; Y170-V192 HydrophobicContact CD2-CG2 3.91Å; Y170-V192 HydrophobicContact CE2-CG2 3.79Å; Y170-F202 PolarHBondContact OH-O 3.28Å; Y170-I203 HydrophobicContact CD1-CD1 4.45Å; Y170-I203 HydrophobicContact CD1-CG1 4.22Å; Y170-I203 HydrophobicContact CE1-CD1 4.27Å; Y170-I203 HydrophobicContact CE1-CG1 3.68Å; Y170-C214 HydrophobicContact CD1-CB 4.26Å; Y170-C214 HydrophobicContact CE1-CB 4.07Å; Y170-C214 HydrophobicContact CE2-CB 4.34Å; Y170-C214 HydrophobicContact CG-CB 4.46Å; Y170-R215 WeakPolarHBondContact CE2-O 3.47Å
171F91.6Very high81.2Confident23 Ų2338.5 Ų38.510%0.10121%0.205CC..EExtended strand (participates in β ladder)trans-109.7133177.5-69.7-82.1000110.6F148 V163 A164 V166 E169 M186 R187F148-F171 HydrophobicContact CD1-CD2 4.18Å; F148-F171 HydrophobicContact CD1-CG 4.38Å; F148-F171 HydrophobicContact CE1-CB 3.97Å; F148-F171 HydrophobicContact CE1-CD2 4.42Å; F148-F171 HydrophobicContact CE1-CG 4.31Å; V163-F171 CarbonylContact C-O 3.51Å; V163-F171 VanDerWaalsContact CA-O 3.26Å; V163-F171 WeakPolarHBondContact CA-O 3.49Å; A164-F171 PolarHBondContact N-O 2.83Å; A164-F171 PolarHBondContact O-N 2.8Å; V166-F171 HydrophobicContact CB-CD2 3.89Å; V166-F171 HydrophobicContact CB-CE2 3.86Å; V166-F171 HydrophobicContact CG1-CE2 4.44Å; V166-F171 HydrophobicContact CG2-CD2 3.74Å; V166-F171 HydrophobicContact CG2-CE2 4.14Å; E169-F171 HydrophobicContact CB-CE2 3.88Å; E169-F171 HydrophobicContact CB-CZ 4.31Å; E169-F171 HydrophobicContact CG-CD2 4.31Å; E169-F171 HydrophobicContact CG-CE1 4.39Å; E169-F171 HydrophobicContact CG-CE2 3.76Å; E169-F171 HydrophobicContact CG-CZ 3.82Å; E169-F171 WeakPolarHBondContact OE2-CZ 3.42Å; F171-M186 HydrophobicContact CB-CG 4.16Å; F171-M186 HydrophobicContact CB-SD 4.35Å; F171-M186 HydrophobicContact CD1-CG 3.59Å; F171-M186 HydrophobicContact CD1-SD 3.52Å; F171-M186 VanDerWaalsContact CD1-SD 3.52Å; F171-M186 HydrophobicContact CE1-CG 4.37Å; F171-M186 HydrophobicContact CE1-SD 3.95Å; F171-M186 HydrophobicContact CG-CG 4.19Å; F171-M186 HydrophobicContact CG-SD 3.98Å; F171-R187 CarbonylContact C-O 3.53Å; F171-R187 WeakPolarHBondContact CA-O 3.46Å
172H91.4Very high80.2Confident6 Ų643 Ų433%0.02823%0.232CC..EExtended strand (participates in β ladder)trans-98.3135.5166.6175.5-89.9000108.9Y161 M162 M186 R187 L189 F225 N226Y161-H172 AromaticContact CD1-CE1 3.26Å; Y161-H172 WeakPolarHBondContact CD1-CE1 3.34Å; Y161-H172 AromaticContact CD1-NE2 3.37Å; Y161-H172 WeakPolarHBondContact CD1-NE2 3.47Å; Y161-H172 AromaticContact CE1-CE1 3.85Å; Y161-H172 AromaticContact CG-CE1 3.9Å; Y161-H172 AromaticContact CG-NE2 3.49Å; M162-H172 CarbonylContact O-C 3.3Å; H172-M186 CarbonylContact O-C 3.46Å; H172-M186 WeakPolarHBondContact O-CA 3.47Å; H172-R187 PolarHBondContact N-O 3.35Å; H172-R187 PolarHBondContact O-N 3.22Å; H172-L189 HydrophobicContact CB-CD1 4.19Å; H172-L189 HydrophobicContact CB-CD2 3.77Å; H172-L189 HydrophobicContact CB-CG 3.92Å; H172-F225 PolarHBondContact NE2-O 3.12Å; H172-N226 PolarHBondContact CE1-O 3.1Å
173V90.5Very high79.5Confident0 Ų046.3 Ų46.30%025%0.254CS..EExtended strand (participates in β ladder)trans-133.1126.4-174.8-1750000109V146 F148 Y161 M162 L185 M186V146-V173 HydrophobicContact CG1-CG1 4.2Å; V146-V173 HydrophobicContact CG1-CG2 4.26Å; V146-V173 HydrophobicContact CG2-CG1 4.08Å; F148-V173 HydrophobicContact CE1-CG2 4.3Å; F148-V173 HydrophobicContact CZ-CG2 4.31Å; Y161-V173 CarbonylContact C-O 3.44Å; Y161-V173 WeakPolarHBondContact CA-O 3.34Å; M162-V173 HydrophobicContact CB-CB 4.37Å; M162-V173 HydrophobicContact CE-CB 3.96Å; M162-V173 HydrophobicContact CE-CG1 4.23Å; M162-V173 HydrophobicContact CE-CG2 3.94Å; M162-V173 PolarHBondContact N-O 2.94Å; M162-V173 PolarHBondContact O-N 3.33Å; V173-L185 WeakPolarHBondContact CA-O 3.31Å; V173-M186 HydrophobicContact CG2-CB 4.37Å; V173-M186 HydrophobicContact CG2-CE 4.15Å; V173-M186 HydrophobicContact CG2-CG 4.16Å
174T86.9Confident78.8Confident8 Ų847.7 Ų47.75%0.04927%0.267CS..EExtended strand (participates in β ladder)trans-78.3122.7172.1-55.60000109.4Y161 G184 L185Y161-T174 HydrophobicContact CD1-CG2 4.31Å; Y161-T174 HydrophobicContact CE1-CG2 4.18Å; T174-G184 WeakPolarHBondContact O-CA 3.48Å; T174-G184 PolarHBondContact O-N 3.49Å; T174-L185 PolarHBondContact N-O 3.37Å
175L82.4Confident78.4Confident1 Ų152.3 Ų52.31%0.00529%0.292CS..SBendtrans-85.8-48.3179-59.3-179.4000111.2L118 L129 L143 L157 N160 M162 P183L118-L175 HydrophobicContact CD1-CD1 4.22Å; L129-L175 HydrophobicContact CD1-CD2 3.52Å; L129-L175 HydrophobicContact CD2-CD2 4.24Å; L143-L175 HydrophobicContact CD2-CD2 3.89Å; L157-L175 HydrophobicContact CD2-CD1 3.48Å; L157-L175 VanDerWaalsContact CD2-CD1 3.48Å; N160-L175 WeakPolarHBondContact O-CB 3.35Å; N160-L175 PolarHBondContact O-N 3.25Å; M162-L175 HydrophobicContact CB-CD1 4.15Å; M162-L175 HydrophobicContact CB-CD2 3.75Å; M162-L175 HydrophobicContact CB-CG 4.05Å; L175-P183 VanDerWaalsContact O-CB 3.23Å; L175-P183 WeakPolarHBondContact O-CB 3.22Å
176V74.6Confident78.2Confident36 Ų3655.4 Ų55.422%0.21831%0.306CS..SBendtrans-137.2121.41741680000106.9W99 F140 A142 N160W99-V176 HydrophobicContact CH2-CB 3.96Å; W99-V176 HydrophobicContact CH2-CG2 3.31Å; W99-V176 HydrophobicContact CZ2-CB 3.66Å; W99-V176 HydrophobicContact CZ2-CG1 4.19Å; W99-V176 HydrophobicContact CZ2-CG2 3.5Å; F140-V176 HydrophobicContact CE1-CG2 4.34Å; F140-V176 HydrophobicContact CZ-CG2 4.21Å; A142-V176 HydrophobicContact CB-CG2 4.23Å; N160-V176 PolarHBondContact O-N 3.15Å
177G60Low78.1Confident23 Ų2361.9 Ų61.924%0.23733%0.331CS..  trans-73.2142.4-179.100000111.5T181G177-T181 WeakPolarHBondContact CA-O 3.38Å
178D59.1Low78.4Confident78 Ų7858 Ų5842%0.41732%0.324SS..SBendtrans-58.9155.3147.9-65.9-25.7000107.8N180 T181D178-N180 PolarHBondContact O-N 3.5Å; D178-T181 PolarHBondContact O-N 2.97Å; D178-T181 PolarHBondContact O-OG1 2.56Å; D178-T181 VanDerWaalsContact O-OG1 3.09Å
179T55.9Low78.6Confident144 Ų14456.9 Ų56.988%0.88332%0.318SS*.THydrogen-bonded Turntrans-37.9-6.1-161.850.70000120.7
180N59.3Low78.5Confident158 Ų15855.6 Ų55.685%0.84531%0.311SS*.THydrogen-bonded Turntrans-131.213.7-179.6-71.1-31.5000115.4D178D178-N180 PolarHBondContact O-N 3.5Å
181T64.1Low77.9Confident54 Ų5459.4 Ų59.433%0.33134%0.335SS..  trans-122.1126.7-1780.30000112.3G177 D178 L185G177-T181 WeakPolarHBondContact CA-O 3.38Å; D178-T181 PolarHBondContact O-N 2.97Å; D178-T181 PolarHBondContact O-OG1 2.56Å; D178-T181 VanDerWaalsContact O-OG1 3.09Å; T181-L185 HydrophobicContact CG2-CD2 3.92Å
182D69.4Low77.2Confident133 Ų13358.7 Ų58.771%0.71133%0.332SS*.  trans-67.2131177.1-68.5-31.9000110.8G184 L185D182-G184 PolarHBondContact O-N 3.04Å; D182-L185 WeakPolarHBondContact O-CB 3.32Å; D182-L185 PolarHBondContact O-N 3.01Å
183P75.4Confident75.9Confident69 Ų6960.3 Ų60.345%0.44835%0.35SS..THydrogen-bonded Turntrans-60.9136.8173.326-33.1000110.2L175L175-P183 VanDerWaalsContact O-CB 3.23Å; L175-P183 WeakPolarHBondContact O-CB 3.22Å
184G78.5Confident74.4Confident28 Ų2865.6 Ų65.629%0.28939%0.387SS..THydrogen-bonded Turntrans910.5-175.600000115.1T174 D182 M186T174-G184 WeakPolarHBondContact O-CA 3.48Å; T174-G184 PolarHBondContact O-N 3.49Å; D182-G184 PolarHBondContact O-N 3.04Å; G184-M186 PolarHBondContact O-N 3.43Å; G184-M186 VanDerWaalsContact O-N 3.16Å
185L82.9Confident73Confident97 Ų9766.7 Ų66.751%0.50839%0.391SS..  trans-58120.4174.5-175.968.5000110.3V173 T174 T181 D182V173-L185 WeakPolarHBondContact CA-O 3.31Å; T174-L185 PolarHBondContact N-O 3.37Å; T181-L185 HydrophobicContact CG2-CD2 3.92Å; D182-L185 WeakPolarHBondContact O-CB 3.32Å; D182-L185 PolarHBondContact O-N 3.01Å
186M85.4Confident71.5Confident68 Ų6869.3 Ų69.334%0.33542%0.419SS..EExtended strand (participates in β ladder)trans-108.3129.3-178.5-179-179.4-61.500110.6V146 N147 F148 F171 H172 V173 G184V146-M186 HydrophobicContact CG1-CE 3.49Å; V146-M186 VanDerWaalsContact CG1-CE 3.49Å; N147-M186 WeakPolarHBondContact O-CE 3.24Å; F148-M186 HydrophobicContact CD1-CE 3.47Å; F148-M186 VanDerWaalsContact CD1-CE 3.47Å; F148-M186 HydrophobicContact CD1-SD 4.01Å; F148-M186 HydrophobicContact CE1-CE 3.31Å; F148-M186 HydrophobicContact CE1-SD 4.08Å; F148-M186 HydrophobicContact CG-CE 4.34Å; F148-M186 HydrophobicContact CZ-CE 4.06Å; F171-M186 HydrophobicContact CB-CG 4.16Å; F171-M186 HydrophobicContact CB-SD 4.35Å; F171-M186 HydrophobicContact CD1-CG 3.59Å; F171-M186 HydrophobicContact CD1-SD 3.52Å; F171-M186 VanDerWaalsContact CD1-SD 3.52Å; F171-M186 HydrophobicContact CE1-CG 4.37Å; F171-M186 HydrophobicContact CE1-SD 3.95Å; F171-M186 HydrophobicContact CG-CG 4.19Å; F171-M186 HydrophobicContact CG-SD 3.98Å; H172-M186 CarbonylContact O-C 3.46Å; H172-M186 WeakPolarHBondContact O-CA 3.47Å; V173-M186 HydrophobicContact CG2-CB 4.37Å; V173-M186 HydrophobicContact CG2-CE 4.15Å; V173-M186 HydrophobicContact CG2-CG 4.16Å; G184-M186 PolarHBondContact O-N 3.43Å; G184-M186 VanDerWaalsContact O-N 3.16Å
187R87.5Confident70Confident139 Ų13978.7 Ų78.753%0.52546%0.456SS..EExtended strand (participates in β ladder)trans-124131.8176.1-179.2178.4178-176.41.6110F171 H172F171-R187 CarbonylContact C-O 3.53Å; F171-R187 WeakPolarHBondContact CA-O 3.46Å; H172-R187 PolarHBondContact N-O 3.35Å; H172-R187 PolarHBondContact O-N 3.22Å
188S89.1Confident69.4Low51 Ų5181.1 Ų81.136%0.35748%0.481SS..EExtended strand (participates in β ladder)trans-72128.1166.9173.60000110E169E169-S188 WeakPolarHBondContact OE1-CB 3.49Å; E169-S188 PolarHBondContact OE1-OG 3.11Å
189L86.7Confident69.2Low30 Ų3078.4 Ų78.416%0.15747%0.471CS..EExtended strand (participates in β ladder)trans-82.9-55.8174.6-64.4178.2000110.4V163 Y170 H172 F212 F223 G227V163-L189 HydrophobicContact CG1-CD1 4.27Å; Y170-L189 PolarHBondContact O-N 3.27Å; H172-L189 HydrophobicContact CB-CD1 4.19Å; H172-L189 HydrophobicContact CB-CD2 3.77Å; H172-L189 HydrophobicContact CB-CG 3.92Å; L189-F212 HydrophobicContact CD1-CE2 3.78Å; L189-F212 HydrophobicContact CD1-CZ 3.74Å; L189-F223 HydrophobicContact CB-CE1 4.47Å; L189-F223 HydrophobicContact CD2-CD1 4.32Å; L189-F223 HydrophobicContact CD2-CE1 4.39Å; L189-G227 WeakPolarHBondContact CD2-O 3.47Å
190F85.9Confident69.6Low22 Ų2277.9 Ų77.910%0.09646%0.459CS..EExtended strand (participates in β ladder)trans-168.6158.1177.358.6-82.1000111Y170 V192 C214 R216 F223Y170-F190 HydrophobicContact CD2-CD2 4.41Å; Y170-F190 HydrophobicContact CD2-CE1 4.17Å; Y170-F190 AromaticContact CD2-CE2 3.66Å; Y170-F190 HydrophobicContact CD2-CE2 3.66Å; Y170-F190 AromaticContact CD2-CZ 3.52Å; Y170-F190 HydrophobicContact CD2-CZ 3.52Å; Y170-F190 HydrophobicContact CE2-CE2 4.04Å; Y170-F190 AromaticContact CE2-CZ 3.94Å; Y170-F190 HydrophobicContact CE2-CZ 3.94Å; Y170-F190 HydrophobicContact CG-CE1 4.42Å; Y170-F190 HydrophobicContact CG-CZ 4.15Å; Y170-F190 PolarHBondContact N-O 2.89Å; Y170-F190 VanDerWaalsContact N-O 3.13Å; F190-V192 HydrophobicContact CD2-CG2 3.93Å; F190-V192 HydrophobicContact CE2-CG2 3.63Å; F190-C214 HydrophobicContact CE1-CB 3.95Å; F190-C214 HydrophobicContact CZ-CB 3.63Å; F190-R216 HydrophobicContact CD2-CB 4.46Å; F190-R216 HydrophobicContact CD2-CG 4.36Å; F190-R216 HydrophobicContact CE2-CB 3.86Å; F190-R216 HydrophobicContact CE2-CG 4.21Å; F190-F223 HydrophobicContact CD1-CE1 4.47Å; F190-F223 HydrophobicContact CD1-CE2 4.11Å; F190-F223 AromaticContact CD1-CZ 3.56Å; F190-F223 HydrophobicContact CD1-CZ 3.56Å; F190-F223 AromaticContact CE1-CE2 3.48Å; F190-F223 HydrophobicContact CE1-CE2 3.48Å; F190-F223 VanDerWaalsContact CE1-CE2 3.48Å; F190-F223 AromaticContact CE1-CZ 3.44Å; F190-F223 HydrophobicContact CE1-CZ 3.44Å; F190-F223 VanDerWaalsContact CE1-CZ 3.44Å; F190-F223 HydrophobicContact CZ-CE2 4.4Å
191T79.9Confident70.5Confident80 Ų8071 Ų7149%0.49142%0.423SS..EExtended strand (participates in β ladder)trans-94.1144.4169.355.60000110.9D168 E169D168-T191 CarbonylContact O-C 3.46Å; D168-T191 WeakPolarHBondContact O-CA 3.5Å; E169-T191 HydrophobicContact CB-CG2 4.33Å; E169-T191 HydrophobicContact CG-CG2 4.06Å
192V76.7Confident71.3Confident7 Ų769.2 Ų69.24%0.04241%0.411CS..  trans-105.3142.3177.7-168.50000108.4D168 Y170 F190 Y195D168-V192 PolarHBondContact O-N 3.4Å; Y170-V192 HydrophobicContact CD2-CG2 3.91Å; Y170-V192 HydrophobicContact CE2-CG2 3.79Å; F190-V192 HydrophobicContact CD2-CG2 3.93Å; F190-V192 HydrophobicContact CE2-CG2 3.63Å; V192-Y195 HydrophobicContact CB-CE1 4.24Å; V192-Y195 HydrophobicContact CB-CE2 4.21Å; V192-Y195 HydrophobicContact CG1-CD1 4.4Å; V192-Y195 HydrophobicContact CG1-CE1 3.61Å; V192-Y195 HydrophobicContact CG1-CE2 4.42Å; V192-Y195 VanDerWaalsContact CG2-OH 3.31Å; V192-Y195 WeakPolarHBondContact CG2-OH 3.38Å
193G63.9Low72.2Confident40 Ų4064 Ų6441%0.41238%0.382SS..  trans-53.2146.8171.800000110.2Y195G193-Y195 PolarHBondContact O-N 2.93Å
194S58.2Low72.8Confident111 Ų11161 Ų6178%0.77636%0.363SS*.  trans-49.9111.5-174.1-155.90000110.4G196S194-G196 PolarHBondContact O-N 3.26Å; S194-G196 VanDerWaalsContact O-N 3.09Å
195Y58.5Low73.3Confident31 Ų3161.7 Ų61.712%0.12236%0.362CS..  trans-54.9122.9177.6-62.7-72.5000107.9R167 V192 G193R167-Y195 WeakPolarHBondContact O-CD2 3.32Å; R167-Y195 WeakPolarHBondContact O-CE2 3.49Å; V192-Y195 HydrophobicContact CB-CE1 4.24Å; V192-Y195 HydrophobicContact CB-CE2 4.21Å; V192-Y195 HydrophobicContact CG1-CD1 4.4Å; V192-Y195 HydrophobicContact CG1-CE1 3.61Å; V192-Y195 HydrophobicContact CG1-CE2 4.42Å; V192-Y195 VanDerWaalsContact CG2-OH 3.31Å; V192-Y195 WeakPolarHBondContact CG2-OH 3.38Å; G193-Y195 PolarHBondContact O-N 2.93Å
196G50.9Low73.6Confident57 Ų5757.1 Ų57.159%0.58834%0.338SS*.  trans-48.2152.8162.400000108.9S194 G198 G199S194-G196 PolarHBondContact O-N 3.26Å; S194-G196 VanDerWaalsContact O-N 3.09Å; G196-G198 PolarHBondContact O-N 3.46Å; G196-G199 PolarHBondContact O-N 2.89Å
197K42.2Very low73.5Confident233 Ų23359.8 Ų59.8100%1.01335%0.349SS*.THydrogen-bonded Turntrans-52.64.2-172.4-82.6-178.1173.8178.40116.8
198G47.3Very low73.1Confident74 Ų7457.5 Ų57.576%0.76335%0.348SS*.THydrogen-bonded Turntrans-134.315.4173.200000116.6G196 E200G196-G198 PolarHBondContact O-N 3.46Å; G198-E200 PolarHBondContact O-N 3.42Å
199G55.5Low72.8Confident20 Ų2057.9 Ų57.921%0.20634%0.341CS..  trans-84.7101.1-179.300000113.8G196G196-G199 PolarHBondContact O-N 2.89Å
200E64.9Low72.8Confident134 Ų13465.6 Ų65.663%0.62637%0.368SS*.  trans-77.5125.7176.3-67.4-175.916800111.5G198 R215G198-E200 PolarHBondContact O-N 3.42Å; E200-R215 VanDerWaalsContact C-NH2 3.27Å; E200-R215 PolarHBondContact O-NH1 3.29Å; E200-R215 PolarHBondContact O-NH2 3.16Å
201S77.3Confident73Confident13 Ų1364.7 Ų64.79%0.09137%0.365CS..  trans-73.5137.5173.653.40000110.5R153 A165R153-S201 WeakPolarHBondContact CB-OG 3.44Å; A165-S201 WeakPolarHBondContact CB-OG 3.23Å
202F80.9Confident73.5Confident17 Ų1760.9 Ų60.98%0.07534%0.341CS..  trans-121.5156.4170.460.6-104.7000111.7Y170 R215 P244 V247Y170-F202 PolarHBondContact OH-O 3.28Å; F202-R215 HydrophobicContact CD1-CB 4.17Å; F202-R215 HydrophobicContact CD2-CB 4.4Å; F202-R215 HydrophobicContact CE1-CB 3.7Å; F202-R215 VanDerWaalsContact CE1-CD 3.49Å; F202-R215 HydrophobicContact CE1-CG 3.81Å; F202-R215 HydrophobicContact CE2-CB 3.9Å; F202-R215 HydrophobicContact CZ-CB 3.51Å; F202-R215 HydrophobicContact CZ-CG 3.77Å; F202-P244 HydrophobicContact CE1-CB 4.01Å; F202-P244 HydrophobicContact CE1-CG 3.77Å; F202-P244 HydrophobicContact CZ-CB 4.29Å; F202-P244 HydrophobicContact CZ-CG 3.79Å; F202-V247 HydrophobicContact CD2-CB 4.06Å; F202-V247 HydrophobicContact CD2-CG2 4.36Å; F202-V247 HydrophobicContact CE1-CB 4.48Å; F202-V247 HydrophobicContact CE1-CG2 3.87Å; F202-V247 HydrophobicContact CE2-CB 3.59Å; F202-V247 HydrophobicContact CE2-CG2 3.52Å; F202-V247 HydrophobicContact CZ-CB 3.83Å; F202-V247 HydrophobicContact CZ-CG2 3.21Å
203I89Confident74.2Confident22 Ų2260.6 Ų60.611%0.11334%0.339CS..EExtended strand (participates in β ladder)trans-133.3117.1170.6-55.5161.9000106.4A156 V163 Y170 F212 A213A156-I203 HydrophobicContact CB-CB 3.84Å; A156-I203 HydrophobicContact CB-CD1 4.15Å; A156-I203 HydrophobicContact CB-CG2 3.47Å; A156-I203 VanDerWaalsContact CB-CG2 3.47Å; V163-I203 HydrophobicContact CB-CD1 4.14Å; V163-I203 HydrophobicContact CB-CG2 4.46Å; V163-I203 HydrophobicContact CG1-CD1 3.8Å; V163-I203 HydrophobicContact CG1-CG1 4.31Å; V163-I203 HydrophobicContact CG1-CG2 4.44Å; V163-I203 WeakPolarHBondContact O-CD1 3.44Å; Y170-I203 HydrophobicContact CD1-CD1 4.45Å; Y170-I203 HydrophobicContact CD1-CG1 4.22Å; Y170-I203 HydrophobicContact CE1-CD1 4.27Å; Y170-I203 HydrophobicContact CE1-CG1 3.68Å; I203-F212 HydrophobicContact CG2-CD2 4.33Å; I203-A213 WeakPolarHBondContact CA-O 3.43Å
204T88.1Confident75.5Confident8 Ų858.7 Ų58.75%0.04932%0.32CS..EExtended strand (participates in β ladder)trans-108.2124.1-178.7-46.70000108.9F212 A213 V247T204-F212 CarbonylContact O-C 3.5Å; T204-F212 VanDerWaalsContact O-CA 3.29Å; T204-F212 WeakPolarHBondContact O-CA 3.47Å; T204-A213 PolarHBondContact N-O 3.04Å; T204-A213 PolarHBondContact O-N 3.49Å; T204-V247 WeakPolarHBondContact CG2-O 3.47Å; T204-V247 PolarHBondContact OG1-O 2.91Å
205V89.2Confident76.9Confident42 Ų4253.6 Ų53.626%0.25528%0.284SS..EExtended strand (participates in β ladder)trans-101128.3-175.8-174.80000110.4A156 L158 Q207 F225A156-V205 HydrophobicContact CB-CG2 3.87Å; L158-V205 HydrophobicContact CD2-CB 4.1Å; L158-V205 HydrophobicContact CD2-CG1 3.48Å; L158-V205 VanDerWaalsContact CD2-CG1 3.48Å; L158-V205 HydrophobicContact CD2-CG2 3.48Å; L158-V205 VanDerWaalsContact CD2-CG2 3.48Å; V205-Q207 HydrophobicContact CG1-CG 3.93Å; V205-F225 HydrophobicContact CG1-CE1 4.01Å; V205-F225 HydrophobicContact CG1-CZ 3.83Å
206M88.1Confident78.1Confident0 Ų057 Ų570%030%0.296CS..EExtended strand (participates in β ladder)trans-111.586.1176-55.4-178.9-87.500108.7D208 R209 R210 I211 A213 F222 Y249 V267M206-D208 PolarHBondContact O-N 2.94Å; M206-R209 HydrophobicContact CB-CB 4.43Å; M206-R209 PolarHBondContact O-N 3.48Å; M206-R210 PolarHBondContact O-N 3Å; M206-I211 CarbonylContact C-O 3.51Å; M206-I211 WeakPolarHBondContact CA-O 3.31Å; M206-I211 WeakPolarHBondContact CB-O 3.2Å; M206-I211 HydrophobicContact CE-CB 4.08Å; M206-I211 HydrophobicContact CE-CG2 3.54Å; M206-I211 PolarHBondContact N-O 2.88Å; M206-I211 PolarHBondContact O-N 3.05Å; M206-A213 HydrophobicContact CE-CB 4.3Å; M206-F222 HydrophobicContact CE-CD1 3.3Å; M206-F222 HydrophobicContact CE-CE1 3.34Å; M206-F222 HydrophobicContact SD-CE1 4.24Å; M206-Y249 HydrophobicContact CB-CD1 3.95Å; M206-Y249 HydrophobicContact CB-CE1 3.85Å; M206-Y249 HydrophobicContact CB-CE2 4.48Å; M206-Y249 HydrophobicContact CB-CG 4.3Å; M206-Y249 HydrophobicContact CG-CD1 3.6Å; M206-Y249 HydrophobicContact CG-CD2 3.7Å; M206-Y249 HydrophobicContact CG-CE1 3.91Å; M206-Y249 HydrophobicContact CG-CE2 3.97Å; M206-Y249 HydrophobicContact CG-CG 3.45Å; M206-Y249 VanDerWaalsContact CG-CG 3.45Å; M206-Y249 HydrophobicContact SD-CD1 4.47Å; M206-Y249 HydrophobicContact SD-CD2 3.51Å; M206-Y249 VanDerWaalsContact SD-CD2 3.51Å; M206-Y249 HydrophobicContact SD-CE2 3.6Å; M206-Y249 VanDerWaalsContact SD-CE2 3.6Å; M206-Y249 HydrophobicContact SD-CG 3.93Å; M206-V267 HydrophobicContact SD-CG1 4.33Å; M206-V267 HydrophobicContact SD-CG2 4.08Å
207Q83Confident79.6Confident124 Ų12457.7 Ų57.758%0.57929%0.286SS*.G310 helixtrans-64.4-37.6-172.4-69.6179.9-29.700113.2V205 R209 R210V205-Q207 HydrophobicContact CG1-CG 3.93Å; Q207-R209 VanDerWaalsContact C-N 3.28Å; Q207-R209 PolarHBondContact O-N 2.87Å; Q207-R210 PolarHBondContact O-N 2.89Å
208D80.8Confident81.6Confident92 Ų9248.5 Ų48.549%0.49225%0.248SC..G310 helixtrans-62.9-30.8177.758.4-21.4000113.5M206 Y249M206-D208 PolarHBondContact O-N 2.94Å; D208-Y249 WeakPolarHBondContact OD1-CE1 3.4Å; D208-Y249 PolarHBondContact OD1-OH 3.13Å; D208-Y249 PolarHBondContact OD2-OH 3.5Å
209R81.1Confident83.6Confident58 Ų5847.5 Ų47.522%0.21923%0.225CC..G310 helixtrans-102.1-3.5179-63.2175.2-176.1-115.23.2113.4M206 Q207 I211 Y235 Y249M206-R209 HydrophobicContact CB-CB 4.43Å; M206-R209 PolarHBondContact O-N 3.48Å; Q207-R209 VanDerWaalsContact C-N 3.28Å; Q207-R209 PolarHBondContact O-N 2.87Å; R209-I211 VanDerWaalsContact C-N 3.25Å; R209-I211 HydrophobicContact CB-CD1 4.29Å; R209-I211 WeakPolarHBondContact O-CG1 3.38Å; R209-I211 PolarHBondContact O-N 3.1Å; R209-Y235 WeakPolarHBondContact CD-OH 3.28Å; R209-Y235 PolarHBondContact NH1-OH 3.24Å; R209-Y249 WeakPolarHBondContact CD-OH 3.46Å; R209-Y249 PolarHBondContact NE-OH 3.37Å
210R87Confident85.2Confident192 Ų19246.5 Ų46.573%0.72522%0.215SC*.THydrogen-bonded Turntrans51.240.2-172.6-64.5-171.4171.6-163.8-3.2113.9M206 Q207 F225M206-R210 PolarHBondContact O-N 3Å; Q207-R210 PolarHBondContact O-N 2.89Å; R210-F225 HydrophobicContact CB-CD2 4.36Å; R210-F225 HydrophobicContact CB-CG 4.37Å; R210-F225 WeakPolarHBondContact O-CD1 3.43Å; R210-F225 PolarHBondContact O-N 2.69Å; R210-F225 VanDerWaalsContact O-N 3.1Å
211I90.3Very high86.3Confident4 Ų441.1 Ų41.12%0.02119%0.19CC..EExtended strand (participates in β ladder)trans-129.5150-178.3-68.1164.7000109.6M206 R209 F222 F223 F225 A230 Y235M206-I211 CarbonylContact C-O 3.51Å; M206-I211 WeakPolarHBondContact CA-O 3.31Å; M206-I211 WeakPolarHBondContact CB-O 3.2Å; M206-I211 HydrophobicContact CE-CB 4.08Å; M206-I211 HydrophobicContact CE-CG2 3.54Å; M206-I211 PolarHBondContact N-O 2.88Å; M206-I211 PolarHBondContact O-N 3.05Å; R209-I211 VanDerWaalsContact C-N 3.25Å; R209-I211 HydrophobicContact CB-CD1 4.29Å; R209-I211 WeakPolarHBondContact O-CG1 3.38Å; R209-I211 PolarHBondContact O-N 3.1Å; I211-F222 HydrophobicContact CG2-CB 3.88Å; I211-F222 HydrophobicContact CG2-CD1 4.08Å; I211-F222 HydrophobicContact CG2-CG 4.4Å; I211-F223 CarbonylContact C-O 3.47Å; I211-F223 WeakPolarHBondContact CA-O 3.34Å; I211-F223 VanDerWaalsContact CG2-O 3.24Å; I211-F223 WeakPolarHBondContact CG2-O 3.47Å; I211-F225 VanDerWaalsContact N-CE1 3.33Å; I211-A230 HydrophobicContact CD1-CB 4.05Å; I211-A230 HydrophobicContact CG1-CB 4.32Å; I211-A230 HydrophobicContact CG2-CB 4.38Å; I211-Y235 HydrophobicContact CD1-CD1 4.11Å; I211-Y235 HydrophobicContact CD1-CD2 3.67Å; I211-Y235 HydrophobicContact CD1-CE1 3.65Å; I211-Y235 HydrophobicContact CD1-CE2 3.16Å; I211-Y235 HydrophobicContact CD1-CG 4.12Å
212F91.5Very high87Confident0 Ų040.6 Ų40.60%019%0.186CC..EExtended strand (participates in β ladder)trans-123.8154.2169.467.3-88.5000111.1L158 V163 L189 I203 T204 C214 F222 F223 C224 F225L158-F212 HydrophobicContact CD1-CB 4.35Å; L158-F212 HydrophobicContact CD1-CD1 3.31Å; L158-F212 HydrophobicContact CD1-CE1 3.64Å; L158-F212 HydrophobicContact CD1-CG 3.92Å; L158-F212 HydrophobicContact CD2-CB 4.05Å; L158-F212 HydrophobicContact CD2-CD1 4.45Å; L158-F212 HydrophobicContact CD2-CG 4.49Å; V163-F212 HydrophobicContact CB-CE2 4.46Å; V163-F212 HydrophobicContact CG1-CE2 4.09Å; V163-F212 HydrophobicContact CG2-CD1 4.43Å; V163-F212 HydrophobicContact CG2-CD2 4.18Å; V163-F212 HydrophobicContact CG2-CE1 3.96Å; V163-F212 HydrophobicContact CG2-CE2 3.73Å; V163-F212 HydrophobicContact CG2-CZ 3.59Å; L189-F212 HydrophobicContact CD1-CE2 3.78Å; L189-F212 HydrophobicContact CD1-CZ 3.74Å; I203-F212 HydrophobicContact CG2-CD2 4.33Å; T204-F212 CarbonylContact O-C 3.5Å; T204-F212 VanDerWaalsContact O-CA 3.29Å; T204-F212 WeakPolarHBondContact O-CA 3.47Å; F212-C214 VanDerWaalsContact CD2-SG 3.56Å; F212-C214 VanDerWaalsContact CE2-SG 3.54Å; F212-F222 WeakPolarHBondContact O-CA 3.46Å; F212-F223 HydrophobicContact CD1-CB 4.01Å; F212-F223 WeakPolarHBondContact CD1-O 3.37Å; F212-F223 HydrophobicContact CD2-CB 4.15Å; F212-F223 HydrophobicContact CD2-CD2 4.38Å; F212-F223 HydrophobicContact CE1-CB 3.5Å; F212-F223 HydrophobicContact CE2-CB 3.61Å; F212-F223 AromaticContact CE2-CD2 3.82Å; F212-F223 HydrophobicContact CE2-CD2 3.82Å; F212-F223 AromaticContact CE2-CG 3.91Å; F212-F223 HydrophobicContact CE2-CG 3.91Å; F212-F223 HydrophobicContact CG-CB 4.34Å; F212-F223 HydrophobicContact CZ-CB 3.27Å; F212-F223 HydrophobicContact CZ-CD2 4.25Å; F212-F223 AromaticContact CZ-CG 3.85Å; F212-F223 HydrophobicContact CZ-CG 3.85Å; F212-F223 PolarHBondContact N-O 3.26Å; F212-F223 PolarHBondContact O-N 2.82Å; F212-C224 WeakPolarHBondContact CE1-O 3.38Å; F212-F225 HydrophobicContact CD1-CD1 4.27Å
213A90.7Very high87.4Confident0 Ų040.2 Ų40.20%018%0.184CC..EExtended strand (participates in β ladder)trans-115.4132-178.500000110.7I203 T204 M206 T220 H221 F222I203-A213 WeakPolarHBondContact CA-O 3.43Å; T204-A213 PolarHBondContact N-O 3.04Å; T204-A213 PolarHBondContact O-N 3.49Å; M206-A213 HydrophobicContact CE-CB 4.3Å; A213-T220 HydrophobicContact CB-CG2 3.58Å; A213-H221 VanDerWaalsContact CA-O 3.29Å; A213-H221 WeakPolarHBondContact CA-O 3.28Å; A213-F222 HydrophobicContact CB-CD1 3.85Å; A213-F222 HydrophobicContact CB-CE1 3.84Å
214C90.2Very high87.5Confident0 Ų040.1 Ų40.10%019%0.185CC..EExtended strand (participates in β ladder)trans-122.9146176.8-660000110.9Y170 F190 F212 T220 H221 F223Y170-C214 HydrophobicContact CD1-CB 4.26Å; Y170-C214 HydrophobicContact CE1-CB 4.07Å; Y170-C214 HydrophobicContact CE2-CB 4.34Å; Y170-C214 HydrophobicContact CG-CB 4.46Å; F190-C214 HydrophobicContact CE1-CB 3.95Å; F190-C214 HydrophobicContact CZ-CB 3.63Å; F212-C214 VanDerWaalsContact CD2-SG 3.56Å; F212-C214 VanDerWaalsContact CE2-SG 3.54Å; C214-T220 WeakPolarHBondContact O-CA 3.42Å; C214-H221 PolarHBondContact N-O 3.5Å; C214-H221 PolarHBondContact O-N 3.44Å; C214-F223 HydrophobicContact CB-CE2 4.33Å
215R87.4Confident87.4Confident5 Ų541.4 Ų41.42%0.01919%0.19CC..EExtended strand (participates in β ladder)trans-81.4137.3177.8-164.9-178.768.5-160.7-6.5111.4Y170 E200 F202 D217 P244Y170-R215 WeakPolarHBondContact CE2-O 3.47Å; E200-R215 VanDerWaalsContact C-NH2 3.27Å; E200-R215 PolarHBondContact O-NH1 3.29Å; E200-R215 PolarHBondContact O-NH2 3.16Å; F202-R215 HydrophobicContact CD1-CB 4.17Å; F202-R215 HydrophobicContact CD2-CB 4.4Å; F202-R215 HydrophobicContact CE1-CB 3.7Å; F202-R215 VanDerWaalsContact CE1-CD 3.49Å; F202-R215 HydrophobicContact CE1-CG 3.81Å; F202-R215 HydrophobicContact CE2-CB 3.9Å; F202-R215 HydrophobicContact CZ-CB 3.51Å; F202-R215 HydrophobicContact CZ-CG 3.77Å; R215-D217 WeakPolarHBondContact CD-O 3.49Å; R215-D217 WeakPolarHBondContact CG-O 3.21Å; R215-P244 WeakPolarHBondContact CD-O 3.41Å; R215-P244 HydrophobicContact CG-CG 4.42Å; R215-P244 PolarHBondContact NH1-O 3.47Å
216R85Confident87.2Confident102 Ų10242.3 Ų42.339%0.38519%0.194SC..EExtended strand (participates in β ladder)trans-133.497161.2-171.2178.4-177170.72.8108.1F190 D218 L219F190-R216 HydrophobicContact CD2-CB 4.46Å; F190-R216 HydrophobicContact CD2-CG 4.36Å; F190-R216 HydrophobicContact CE2-CB 3.86Å; F190-R216 HydrophobicContact CE2-CG 4.21Å; R216-D218 PolarHBondContact O-N 3.18Å; R216-L219 PolarHBondContact N-O 3.1Å; R216-L219 WeakPolarHBondContact O-CA 3.12Å; R216-L219 WeakPolarHBondContact O-CB 3.47Å; R216-L219 PolarHBondContact O-N 3.03Å
217D82.6Confident87Confident71 Ų7142.5 Ų42.538%0.3820%0.195SC..THydrogen-bonded Turntrans55.6-118.8-174.8-53.6-47000113R215 L219R215-D217 WeakPolarHBondContact CD-O 3.49Å; R215-D217 WeakPolarHBondContact CG-O 3.21Å; D217-L219 VanDerWaalsContact C-N 3.3Å
218D84.3Confident87.2Confident41 Ų4141.9 Ų41.922%0.21919%0.193CC..THydrogen-bonded Turntrans-85.53.5174.966.9-29.4000113.2R216 R239 W240R216-D218 PolarHBondContact O-N 3.18Å; D218-R239 IonicContact OD2-CZ 3.18Å; D218-R239 IonicContact OD2-NE 2.71Å; D218-R239 PolarHBondContact OD2-NE 3.35Å; D218-R239 IonicContact OD2-NH2 2.72Å; D218-R239 PolarHBondContact OD2-NH2 3.34Å; D218-R239 VanDerWaalsContact OD2-NH2 3.12Å; D218-W240 VanDerWaalsContact O-CD1 3.31Å; D218-W240 PolarHBondContact O-N 3.15Å
219L87.7Confident87.5Confident52 Ų5241.7 Ų41.727%0.27219%0.191SC..EExtended strand (participates in β ladder)trans-106.6147.4178.4-61.7172.3000112.4R216 D217 I238 R239R216-L219 PolarHBondContact N-O 3.1Å; R216-L219 WeakPolarHBondContact O-CA 3.12Å; R216-L219 WeakPolarHBondContact O-CB 3.47Å; R216-L219 PolarHBondContact O-N 3.03Å; D217-L219 VanDerWaalsContact C-N 3.3Å; L219-I238 CarbonylContact C-O 3.4Å; L219-I238 VanDerWaalsContact CA-O 3.31Å; L219-I238 WeakPolarHBondContact CA-O 3.19Å; L219-R239 HydrophobicContact CD2-CB 3.63Å; L219-R239 HydrophobicContact CD2-CG 3.81Å
220T89.1Confident87.7Confident0 Ų039 Ų390%018%0.181CC..EExtended strand (participates in β ladder)trans-115.4121.5164.8-670000109.8A213 C214 F222 N237 I238 W240A213-T220 HydrophobicContact CB-CG2 3.58Å; C214-T220 WeakPolarHBondContact O-CA 3.42Å; T220-F222 HydrophobicContact CG2-CE1 4.44Å; T220-N237 WeakPolarHBondContact O-CA 3.33Å; T220-I238 PolarHBondContact N-O 3.14Å; T220-I238 PolarHBondContact O-N 3.28Å; T220-W240 PolarHBondContact OG1-NE1 2.8Å
221H89.3Confident87.5Confident21 Ų2133.7 Ų33.710%0.09717%0.17CC..EExtended strand (participates in β ladder)trans-97.6142.2175.9-73.8-84.2000110.3A213 C214 F223 N237A213-H221 VanDerWaalsContact CA-O 3.29Å; A213-H221 WeakPolarHBondContact CA-O 3.28Å; C214-H221 PolarHBondContact N-O 3.5Å; C214-H221 PolarHBondContact O-N 3.44Å; H221-F223 HydrophobicContact CB-CD2 4.36Å; H221-F223 HydrophobicContact CB-CE2 3.51Å; H221-F223 HydrophobicContact CB-CZ 4.03Å; H221-N237 PolarHBondContact CE1-ND2 3.45Å; H221-N237 VanDerWaalsContact CE1-ND2 3.28Å; H221-N237 PolarHBondContact ND1-ND2 3.07Å; H221-N237 PolarHBondContact ND1-OD1 3.17Å
222F90.6Very high86.9Confident2 Ų242.2 Ų42.21%0.00921%0.209CC..EExtended strand (participates in β ladder)trans-105.9134.1177.4-63.9-68.8000111.4M206 I211 F212 A213 T220 A230 Y235 E236 I238 L254 V267M206-F222 HydrophobicContact CE-CD1 3.3Å; M206-F222 HydrophobicContact CE-CE1 3.34Å; M206-F222 HydrophobicContact SD-CE1 4.24Å; I211-F222 HydrophobicContact CG2-CB 3.88Å; I211-F222 HydrophobicContact CG2-CD1 4.08Å; I211-F222 HydrophobicContact CG2-CG 4.4Å; F212-F222 WeakPolarHBondContact O-CA 3.46Å; A213-F222 HydrophobicContact CB-CD1 3.85Å; A213-F222 HydrophobicContact CB-CE1 3.84Å; T220-F222 HydrophobicContact CG2-CE1 4.44Å; F222-A230 HydrophobicContact CB-CB 4.07Å; F222-A230 PolarHBondContact O-N 3.37Å; F222-Y235 HydrophobicContact CD2-CD1 4.41Å; F222-Y235 HydrophobicContact CG-CD1 4.39Å; F222-E236 VanDerWaalsContact CD2-O 3.3Å; F222-E236 WeakPolarHBondContact CD2-O 3.36Å; F222-E236 WeakPolarHBondContact CE2-O 3.45Å; F222-I238 HydrophobicContact CE2-CD1 3.76Å; F222-I238 HydrophobicContact CE2-CG1 3.82Å; F222-I238 HydrophobicContact CZ-CD1 3.59Å; F222-I238 HydrophobicContact CZ-CG1 4.13Å; F222-L254 HydrophobicContact CE1-CD2 4.38Å; F222-L254 HydrophobicContact CZ-CD2 3.96Å; F222-V267 HydrophobicContact CE1-CG1 4.16Å; F222-V267 HydrophobicContact CE2-CG1 4.38Å; F222-V267 HydrophobicContact CZ-CG1 3.9Å
223F91.3Very high86.2Confident9 Ų946.5 Ų46.54%0.03923%0.232CC..EExtended strand (participates in β ladder)trans-129.8139.5179.4-63.1-92.8000110.1L189 F190 I211 F212 C214 H221 E228 L229L189-F223 HydrophobicContact CB-CE1 4.47Å; L189-F223 HydrophobicContact CD2-CD1 4.32Å; L189-F223 HydrophobicContact CD2-CE1 4.39Å; F190-F223 HydrophobicContact CD1-CE1 4.47Å; F190-F223 HydrophobicContact CD1-CE2 4.11Å; F190-F223 AromaticContact CD1-CZ 3.56Å; F190-F223 HydrophobicContact CD1-CZ 3.56Å; F190-F223 AromaticContact CE1-CE2 3.48Å; F190-F223 HydrophobicContact CE1-CE2 3.48Å; F190-F223 VanDerWaalsContact CE1-CE2 3.48Å; F190-F223 AromaticContact CE1-CZ 3.44Å; F190-F223 HydrophobicContact CE1-CZ 3.44Å; F190-F223 VanDerWaalsContact CE1-CZ 3.44Å; F190-F223 HydrophobicContact CZ-CE2 4.4Å; I211-F223 CarbonylContact C-O 3.47Å; I211-F223 WeakPolarHBondContact CA-O 3.34Å; I211-F223 VanDerWaalsContact CG2-O 3.24Å; I211-F223 WeakPolarHBondContact CG2-O 3.47Å; F212-F223 HydrophobicContact CD1-CB 4.01Å; F212-F223 WeakPolarHBondContact CD1-O 3.37Å; F212-F223 HydrophobicContact CD2-CB 4.15Å; F212-F223 HydrophobicContact CD2-CD2 4.38Å; F212-F223 HydrophobicContact CE1-CB 3.5Å; F212-F223 HydrophobicContact CE2-CB 3.61Å; F212-F223 AromaticContact CE2-CD2 3.82Å; F212-F223 HydrophobicContact CE2-CD2 3.82Å; F212-F223 AromaticContact CE2-CG 3.91Å; F212-F223 HydrophobicContact CE2-CG 3.91Å; F212-F223 HydrophobicContact CG-CB 4.34Å; F212-F223 HydrophobicContact CZ-CB 3.27Å; F212-F223 HydrophobicContact CZ-CD2 4.25Å; F212-F223 AromaticContact CZ-CG 3.85Å; F212-F223 HydrophobicContact CZ-CG 3.85Å; F212-F223 PolarHBondContact N-O 3.26Å; F212-F223 PolarHBondContact O-N 2.82Å; C214-F223 HydrophobicContact CB-CE2 4.33Å; H221-F223 HydrophobicContact CB-CD2 4.36Å; H221-F223 HydrophobicContact CB-CE2 3.51Å; H221-F223 HydrophobicContact CB-CZ 4.03Å; F223-E228 CarbonylContact C-O 3.59Å; F223-E228 WeakPolarHBondContact CA-O 3.48Å; F223-L229 HydrophobicContact CD1-CD2 3.9Å; F223-L229 HydrophobicContact CD1-CG 4.2Å; F223-L229 HydrophobicContact CE1-CD2 3.34Å; F223-L229 HydrophobicContact CE1-CG 3.79Å; F223-L229 HydrophobicContact CE2-CD2 4.4Å; F223-L229 HydrophobicContact CZ-CD2 3.63Å
224C89.5Confident85.6Confident19 Ų1948.3 Ų48.313%0.12825%0.251CS..EExtended strand (participates in β ladder)trans-66.1156.5168.1-60.40000109.3F212 N226 G227 E228 D233F212-C224 WeakPolarHBondContact CE1-O 3.38Å; C224-N226 WeakPolarHBondContact CB-OD1 3.36Å; C224-N226 PolarHBondContact O-N 3.4Å; C224-G227 PolarHBondContact O-N 3.3Å; C224-E228 PolarHBondContact N-O 2.77Å; C224-D233 PolarHBondContact SG-OD2 2.98Å; C224-D233 VanDerWaalsContact SG-OD2 3.33Å
225F87.1Confident85.3Confident36 Ų3649.4 Ų49.416%0.15826%0.255CS..THydrogen-bonded Turntrans-55.7-25.7-178.2-80.512.9000114.2L158 Y161 H172 V205 R210 I211 F212 G227L158-F225 HydrophobicContact CB-CD1 4.24Å; L158-F225 HydrophobicContact CB-CD2 3.97Å; L158-F225 HydrophobicContact CB-CE1 4.41Å; L158-F225 HydrophobicContact CB-CE2 4.16Å; L158-F225 HydrophobicContact CB-CG 4.02Å; L158-F225 HydrophobicContact CB-CZ 4.37Å; L158-F225 HydrophobicContact CD1-CD1 4.2Å; L158-F225 HydrophobicContact CD1-CG 4.47Å; L158-F225 HydrophobicContact CD2-CD1 4.17Å; L158-F225 HydrophobicContact CD2-CE1 3.83Å; L158-F225 HydrophobicContact CD2-CZ 4.15Å; L158-F225 HydrophobicContact CG-CD1 4.46Å; Y161-F225 HydrophobicContact CD2-CB 4.09Å; Y161-F225 WeakPolarHBondContact CD2-O 3.35Å; Y161-F225 HydrophobicContact CE2-CB 4.38Å; Y161-F225 VanDerWaalsContact CG-O 3.25Å; H172-F225 PolarHBondContact NE2-O 3.12Å; V205-F225 HydrophobicContact CG1-CE1 4.01Å; V205-F225 HydrophobicContact CG1-CZ 3.83Å; R210-F225 HydrophobicContact CB-CD2 4.36Å; R210-F225 HydrophobicContact CB-CG 4.37Å; R210-F225 WeakPolarHBondContact O-CD1 3.43Å; R210-F225 PolarHBondContact O-N 2.69Å; R210-F225 VanDerWaalsContact O-N 3.1Å; I211-F225 VanDerWaalsContact N-CE1 3.33Å; F212-F225 HydrophobicContact CD1-CD1 4.27Å; F225-G227 PolarHBondContact O-N 3.2Å
226N84.9Confident85.1Confident61 Ų6155.3 Ų55.333%0.32628%0.283SS..THydrogen-bonded Turntrans-72.8-4.7174.169.7-6.5000114.5H172 C224 E228H172-N226 PolarHBondContact CE1-O 3.1Å; C224-N226 WeakPolarHBondContact CB-OD1 3.36Å; C224-N226 PolarHBondContact O-N 3.4Å; N226-E228 PolarHBondContact ND2-OE2 2.99Å; N226-E228 WeakPolarHBondContact OD1-CB 3.37Å; N226-E228 PolarHBondContact OD1-N 3.04Å
227G83.8Confident85.2Confident3 Ų353.9 Ų53.93%0.03128%0.283CS..SBendtrans89.33.7-179.800000115.1L189 C224 F225L189-G227 WeakPolarHBondContact CD2-O 3.47Å; C224-G227 PolarHBondContact O-N 3.3Å; F225-G227 PolarHBondContact O-N 3.2Å
228E87.1Confident85.4Confident112 Ų11250.5 Ų50.552%0.52327%0.265SS..  trans-82.2151.3174.8-64-178.4151.100111.7F223 C224 N226 A230F223-E228 CarbonylContact C-O 3.59Å; F223-E228 WeakPolarHBondContact CA-O 3.48Å; C224-E228 PolarHBondContact N-O 2.77Å; N226-E228 PolarHBondContact ND2-OE2 2.99Å; N226-E228 WeakPolarHBondContact OD1-CB 3.37Å; N226-E228 PolarHBondContact OD1-N 3.04Å; E228-A230 PolarHBondContact O-N 3.3Å
229L87.3Confident85.6Confident87 Ų8756.8 Ų56.846%0.45529%0.286SS..BIsolated β-bridgetrans-68.1125.7176.8-77.2164.5000110.2F223 V231F223-L229 HydrophobicContact CD1-CD2 3.9Å; F223-L229 HydrophobicContact CD1-CG 4.2Å; F223-L229 HydrophobicContact CE1-CD2 3.34Å; F223-L229 HydrophobicContact CE1-CG 3.79Å; F223-L229 HydrophobicContact CE2-CD2 4.4Å; F223-L229 HydrophobicContact CZ-CD2 3.63Å; L229-V231 HydrophobicContact CB-CG2 4.22Å; L229-V231 PolarHBondContact O-N 3.49Å
230A85.5Confident85.6Confident1 Ų154.6 Ų54.61%0.00827%0.274CS..THydrogen-bonded Turntrans-74.217.4-177.100000114.2I211 F222 E228 H232 D233 Y235I211-A230 HydrophobicContact CD1-CB 4.05Å; I211-A230 HydrophobicContact CG1-CB 4.32Å; I211-A230 HydrophobicContact CG2-CB 4.38Å; F222-A230 HydrophobicContact CB-CB 4.07Å; F222-A230 PolarHBondContact O-N 3.37Å; E228-A230 PolarHBondContact O-N 3.3Å; A230-H232 VanDerWaalsContact C-N 3.29Å; A230-H232 PolarHBondContact O-N 2.85Å; A230-D233 PolarHBondContact O-N 2.85Å; A230-D233 VanDerWaalsContact O-N 3.16Å; A230-Y235 HydrophobicContact CB-CD2 3.93Å; A230-Y235 HydrophobicContact CB-CG 4.12Å; A230-Y235 WeakPolarHBondContact O-CB 3.21Å; A230-Y235 WeakPolarHBondContact O-CD2 3.19Å; A230-Y235 PolarHBondContact O-N 3.22Å
231V82.6Confident85.5Confident81 Ų8158.3 Ų58.349%0.49130%0.3SS..THydrogen-bonded Turntrans-64.8-36-177.8179.90000111.1L229 D233 G234L229-V231 HydrophobicContact CB-CG2 4.22Å; L229-V231 PolarHBondContact O-N 3.49Å; V231-D233 PolarHBondContact O-N 3.48Å; V231-G234 PolarHBondContact O-N 3.24Å
232H77Confident85.4Confident184 Ų18460.6 Ų60.685%0.85231%0.313SS*.THydrogen-bonded Turntrans-65.8-26.5177-67.6-67.8000113A230 G234A230-H232 VanDerWaalsContact C-N 3.29Å; A230-H232 PolarHBondContact O-N 2.85Å; H232-G234 PolarHBondContact O-N 3.45Å
233D77.3Confident85.1Confident89 Ų8963.4 Ų63.448%0.47633%0.33SS..THydrogen-bonded Turntrans-86.18.4175.1-60.6-37000112.2C224 A230 V231 Y235 K268C224-D233 PolarHBondContact SG-OD2 2.98Å; C224-D233 VanDerWaalsContact SG-OD2 3.33Å; A230-D233 PolarHBondContact O-N 2.85Å; A230-D233 VanDerWaalsContact O-N 3.16Å; V231-D233 PolarHBondContact O-N 3.48Å; D233-Y235 HydrophobicContact CB-CD2 3.78Å; D233-Y235 HydrophobicContact CB-CE2 3.83Å; D233-K268 PolarHBondContact O-NZ 3.06Å
234G78.2Confident84.8Confident39 Ų3963 Ų6340%0.40233%0.328SS..THydrogen-bonded Turntrans79.224.2177.200000114.4V231 H232V231-G234 PolarHBondContact O-N 3.24Å; H232-G234 PolarHBondContact O-N 3.45Å
235Y83.5Confident84.5Confident23 Ų2364.5 Ų64.59%0.0934%0.337CS..PPolyproline II helixtrans-90126.5172.3-66.8-100000110.3R209 I211 F222 A230 D233 V267R209-Y235 WeakPolarHBondContact CD-OH 3.28Å; R209-Y235 PolarHBondContact NH1-OH 3.24Å; I211-Y235 HydrophobicContact CD1-CD1 4.11Å; I211-Y235 HydrophobicContact CD1-CD2 3.67Å; I211-Y235 HydrophobicContact CD1-CE1 3.65Å; I211-Y235 HydrophobicContact CD1-CE2 3.16Å; I211-Y235 HydrophobicContact CD1-CG 4.12Å; F222-Y235 HydrophobicContact CD2-CD1 4.41Å; F222-Y235 HydrophobicContact CG-CD1 4.39Å; A230-Y235 HydrophobicContact CB-CD2 3.93Å; A230-Y235 HydrophobicContact CB-CG 4.12Å; A230-Y235 WeakPolarHBondContact O-CB 3.21Å; A230-Y235 WeakPolarHBondContact O-CD2 3.19Å; A230-Y235 PolarHBondContact O-N 3.22Å; D233-Y235 HydrophobicContact CB-CD2 3.78Å; D233-Y235 HydrophobicContact CB-CE2 3.83Å; Y235-V267 HydrophobicContact CD1-CG1 3.5Å; Y235-V267 VanDerWaalsContact CD1-CG1 3.5Å; Y235-V267 HydrophobicContact CE1-CG1 3.41Å; Y235-V267 VanDerWaalsContact CE1-CG1 3.41Å
236E83.9Confident84.4Confident129 Ų12964 Ų6460%0.60334%0.339SS*.PPolyproline II helixtrans-98.9147.8178-63.9179.9174.800110.7F222 I238F222-E236 VanDerWaalsContact CD2-O 3.3Å; F222-E236 WeakPolarHBondContact CD2-O 3.36Å; F222-E236 WeakPolarHBondContact CE2-O 3.45Å; E236-I238 PolarHBondContact O-N 3.04Å
237N85.7Confident84.5Confident71 Ų7161.2 Ų61.238%0.3832%0.324SS..PPolyproline II helixtrans-67.1131.6174.5-59.7-37.3000109.7T220 H221T220-N237 WeakPolarHBondContact O-CA 3.33Å; H221-N237 PolarHBondContact CE1-ND2 3.45Å; H221-N237 VanDerWaalsContact CE1-ND2 3.28Å; H221-N237 PolarHBondContact ND1-ND2 3.07Å; H221-N237 PolarHBondContact ND1-OD1 3.17Å
238I87.3Confident84.6Confident0 Ų064 Ų640%034%0.336CS..EExtended strand (participates in β ladder)trans-92.6124.4-177.9-64.7-179000109.5L219 T220 F222 E236 W240 L254 R265 S270L219-I238 CarbonylContact C-O 3.4Å; L219-I238 VanDerWaalsContact CA-O 3.31Å; L219-I238 WeakPolarHBondContact CA-O 3.19Å; T220-I238 PolarHBondContact N-O 3.14Å; T220-I238 PolarHBondContact O-N 3.28Å; F222-I238 HydrophobicContact CE2-CD1 3.76Å; F222-I238 HydrophobicContact CE2-CG1 3.82Å; F222-I238 HydrophobicContact CZ-CD1 3.59Å; F222-I238 HydrophobicContact CZ-CG1 4.13Å; E236-I238 PolarHBondContact O-N 3.04Å; I238-W240 HydrophobicContact CG2-CD2 4.3Å; I238-W240 HydrophobicContact CG2-CZ2 4.08Å; I238-L254 HydrophobicContact CD1-CD2 3.44Å; I238-L254 VanDerWaalsContact CD1-CD2 3.44Å; I238-R265 VanDerWaalsContact CG2-CD 3.44Å; I238-S270 WeakPolarHBondContact CG1-OG 3.46Å
239R89.2Confident84.6Confident174 Ų17459 Ų5966%0.65731%0.313SS*.EExtended strand (participates in β ladder)trans-95.4121.4170.6-167.6172.6-170.11792.4110.8D218 L219D218-R239 IonicContact OD2-CZ 3.18Å; D218-R239 IonicContact OD2-NE 2.71Å; D218-R239 PolarHBondContact OD2-NE 3.35Å; D218-R239 IonicContact OD2-NH2 2.72Å; D218-R239 PolarHBondContact OD2-NH2 3.34Å; D218-R239 VanDerWaalsContact OD2-NH2 3.12Å; L219-R239 HydrophobicContact CD2-CB 3.63Å; L219-R239 HydrophobicContact CD2-CG 3.81Å
240W88.1Confident84.4Confident6 Ų654.9 Ų54.92%0.02329%0.291CS..PPolyproline II helixtrans-87.1160.5177.1-5894.1000111D218 T220 I238 D242 P244 V247 L254 G256 L258 E263 R265D218-W240 VanDerWaalsContact O-CD1 3.31Å; D218-W240 PolarHBondContact O-N 3.15Å; T220-W240 PolarHBondContact OG1-NE1 2.8Å; I238-W240 HydrophobicContact CG2-CD2 4.3Å; I238-W240 HydrophobicContact CG2-CZ2 4.08Å; W240-D242 VanDerWaalsContact CB-O 3.22Å; W240-D242 WeakPolarHBondContact CB-O 3.02Å; W240-D242 PolarHBondContact O-N 2.96Å; W240-P244 HydrophobicContact CD2-CG 4.37Å; W240-P244 HydrophobicContact CG-CB 4.43Å; W240-P244 HydrophobicContact CG-CG 3.92Å; W240-V247 HydrophobicContact CH2-CG1 4.46Å; W240-V247 HydrophobicContact CH2-CG2 4.33Å; W240-V247 HydrophobicContact CZ2-CG1 4.1Å; W240-V247 HydrophobicContact CZ2-CG2 3.7Å; W240-L254 HydrophobicContact CH2-CD2 4.02Å; W240-L254 HydrophobicContact CH2-CG 4.12Å; W240-L254 HydrophobicContact CZ2-CD2 3.76Å; W240-L254 HydrophobicContact CZ2-CG 4.23Å; W240-G256 VanDerWaalsContact CZ3-CA 3.44Å; W240-L258 HydrophobicContact CB-CD2 4.01Å; W240-E263 HydrophobicContact CE3-CB 3.97Å; W240-E263 HydrophobicContact CZ3-CB 3.91Å; W240-R265 HydrophobicContact CZ3-CG 4.21Å
241S87Confident84.1Confident78 Ų7856.6 Ų56.655%0.54530%0.3SS..SBendtrans-68.7-23.1177.963.30000113.7E263S241-E263 WeakPolarHBondContact CB-OE1 3.46Å; S241-E263 PolarHBondContact N-OE2 3.08Å; S241-E263 VanDerWaalsContact OG-CD 3.28Å; S241-E263 PolarHBondContact OG-OE1 3.39Å; S241-E263 PolarHBondContact OG-OE2 3.29Å
242D85.8Confident83.9Confident69 Ų6952.9 Ų52.937%0.36928%0.278SS..SBendtrans-151.7179.2-178.9-158.5-17.5000107.6W240 P244 L258W240-D242 VanDerWaalsContact CB-O 3.22Å; W240-D242 WeakPolarHBondContact CB-O 3.02Å; W240-D242 PolarHBondContact O-N 2.96Å; D242-P244 WeakPolarHBondContact O-CD 3.5Å; D242-L258 HydrophobicContact CB-CB 4.44Å; D242-L258 HydrophobicContact CB-CD2 3.65Å; D242-L258 WeakPolarHBondContact O-CD2 3.34Å
243V84.6Confident84.3Confident60 Ų6045 Ų4536%0.36424%0.241SC..  trans-73.1115.1177.8179.80000109.7T245V243-T245 PolarHBondContact O-N 3.38Å
244P86Confident84.8Confident0 Ų040.8 Ų40.80%022%0.218CC..  trans-68.2136.5178.427.3-33.6000110.7F202 R215 W240 D242 V247 L257 L258F202-P244 HydrophobicContact CE1-CB 4.01Å; F202-P244 HydrophobicContact CE1-CG 3.77Å; F202-P244 HydrophobicContact CZ-CB 4.29Å; F202-P244 HydrophobicContact CZ-CG 3.79Å; R215-P244 WeakPolarHBondContact CD-O 3.41Å; R215-P244 HydrophobicContact CG-CG 4.42Å; R215-P244 PolarHBondContact NH1-O 3.47Å; W240-P244 HydrophobicContact CD2-CG 4.37Å; W240-P244 HydrophobicContact CG-CB 4.43Å; W240-P244 HydrophobicContact CG-CG 3.92Å; D242-P244 WeakPolarHBondContact O-CD 3.5Å; P244-V247 HydrophobicContact CB-CG2 3.95Å; P244-V247 HydrophobicContact CG-CG2 4.23Å; P244-L257 CarbonylContact C-O 3.56Å; P244-L257 WeakPolarHBondContact CA-O 3.44Å; P244-L258 HydrophobicContact CB-CD2 4.37Å
245T82.7Confident85.3Confident52 Ų5239.1 Ų39.132%0.31920%0.2SC..SBendtrans-78.5-40.6174.9-53.30000110.5V243 L257V243-T245 PolarHBondContact O-N 3.38Å; T245-L257 PolarHBondContact N-O 3.48Å
246A84.4Confident85.5Confident24 Ų2438 Ų3820%0.19820%0.196CC..EExtended strand (participates in β ladder)trans-147.3153.6172.700000109.6L257 I284A246-L257 HydrophobicContact CB-CD1 4.18Å; A246-L257 PolarHBondContact O-N 3.36Å; A246-I284 HydrophobicContact CB-CG2 4.3Å
247V87.8Confident85.7Confident3 Ų332 Ų322%0.01817%0.167CC..EExtended strand (participates in β ladder)trans-126.4129.1171.7173.80000108.3F202 T204 W240 P244 L254 I255F202-V247 HydrophobicContact CD2-CB 4.06Å; F202-V247 HydrophobicContact CD2-CG2 4.36Å; F202-V247 HydrophobicContact CE1-CB 4.48Å; F202-V247 HydrophobicContact CE1-CG2 3.87Å; F202-V247 HydrophobicContact CE2-CB 3.59Å; F202-V247 HydrophobicContact CE2-CG2 3.52Å; F202-V247 HydrophobicContact CZ-CB 3.83Å; F202-V247 HydrophobicContact CZ-CG2 3.21Å; T204-V247 WeakPolarHBondContact CG2-O 3.47Å; T204-V247 PolarHBondContact OG1-O 2.91Å; W240-V247 HydrophobicContact CH2-CG1 4.46Å; W240-V247 HydrophobicContact CH2-CG2 4.33Å; W240-V247 HydrophobicContact CZ2-CG1 4.1Å; W240-V247 HydrophobicContact CZ2-CG2 3.7Å; P244-V247 HydrophobicContact CB-CG2 3.95Å; P244-V247 HydrophobicContact CG-CG2 4.23Å; V247-L254 HydrophobicContact CG1-CD1 3.45Å; V247-L254 VanDerWaalsContact CG1-CD1 3.45Å; V247-L254 HydrophobicContact CG1-CD2 4.11Å; V247-L254 HydrophobicContact CG1-CG 3.6Å; V247-I255 CarbonylContact C-O 3.42Å; V247-I255 VanDerWaalsContact CA-O 3.29Å; V247-I255 WeakPolarHBondContact CA-O 3.33Å
248E86.4Confident85.7Confident62 Ų6228.8 Ų28.829%0.2915%0.15SC..EExtended strand (participates in β ladder)trans-117.9145.3175.5-78.7-66.4164.200110.4I255 I284 L292E248-I255 PolarHBondContact N-O 2.79Å; E248-I255 PolarHBondContact O-N 2.8Å; E248-I284 HydrophobicContact CB-CD1 4.31Å; E248-I284 HydrophobicContact CB-CG1 4.4Å; E248-I284 HydrophobicContact CB-CG2 4.19Å; E248-I284 HydrophobicContact CG-CB 4.24Å; E248-I284 HydrophobicContact CG-CD1 4.47Å; E248-I284 HydrophobicContact CG-CG1 4.09Å; E248-I284 HydrophobicContact CG-CG2 3.34Å; E248-L292 HydrophobicContact CB-CD2 4.25Å
249Y86.5Confident85.4Confident6 Ų632 Ų322%0.02417%0.171CC..EExtended strand (participates in β ladder)trans-112.9124.9179.5171.6-102.8000110.8M206 D208 R209 N251 L254 V267 R286M206-Y249 HydrophobicContact CB-CD1 3.95Å; M206-Y249 HydrophobicContact CB-CE1 3.85Å; M206-Y249 HydrophobicContact CB-CE2 4.48Å; M206-Y249 HydrophobicContact CB-CG 4.3Å; M206-Y249 HydrophobicContact CG-CD1 3.6Å; M206-Y249 HydrophobicContact CG-CD2 3.7Å; M206-Y249 HydrophobicContact CG-CE1 3.91Å; M206-Y249 HydrophobicContact CG-CE2 3.97Å; M206-Y249 HydrophobicContact CG-CG 3.45Å; M206-Y249 VanDerWaalsContact CG-CG 3.45Å; M206-Y249 HydrophobicContact SD-CD1 4.47Å; M206-Y249 HydrophobicContact SD-CD2 3.51Å; M206-Y249 VanDerWaalsContact SD-CD2 3.51Å; M206-Y249 HydrophobicContact SD-CE2 3.6Å; M206-Y249 VanDerWaalsContact SD-CE2 3.6Å; M206-Y249 HydrophobicContact SD-CG 3.93Å; D208-Y249 WeakPolarHBondContact OD1-CE1 3.4Å; D208-Y249 PolarHBondContact OD1-OH 3.13Å; D208-Y249 PolarHBondContact OD2-OH 3.5Å; R209-Y249 WeakPolarHBondContact CD-OH 3.46Å; R209-Y249 PolarHBondContact NE-OH 3.37Å; Y249-N251 WeakPolarHBondContact CE2-O 2.94Å; Y249-N251 PolarHBondContact OH-O 3.18Å; Y249-L254 HydrophobicContact CD2-CD1 4.3Å; Y249-V267 HydrophobicContact CD2-CG2 3.97Å; Y249-V267 HydrophobicContact CE2-CG2 3.76Å; Y249-R286 VanDerWaalsContact O-CD 3.25Å; Y249-R286 WeakPolarHBondContact O-CD 3.33Å; Y249-R286 PolarHBondContact O-NH1 2.72Å
250D82.4Confident85Confident1 Ų130.7 Ų30.71%0.00517%0.17CC..EExtended strand (participates in β ladder)trans-12881.5173.1-169.122.7000110.2V252 Y253 R286 C289 G290 F291 L292D250-V252 PolarHBondContact O-N 3.44Å; D250-Y253 PolarHBondContact N-O 3.12Å; D250-Y253 PolarHBondContact O-N 3.17Å; D250-R286 IonicContact OD1-CZ 3.78Å; D250-R286 IonicContact OD1-NE 3.7Å; D250-R286 PolarHBondContact OD1-NE 2.97Å; D250-R286 IonicContact OD1-NH2 3.79Å; D250-R286 PolarHBondContact OD1-NH2 2.65Å; D250-R286 VanDerWaalsContact OD1-NH2 3.16Å; D250-C289 WeakPolarHBondContact OD1-CA 3.5Å; D250-G290 PolarHBondContact OD1-N 3.32Å; D250-G290 WeakPolarHBondContact OD2-CA 3.28Å; D250-G290 PolarHBondContact OD2-N 3.28Å; D250-F291 PolarHBondContact OD2-N 3.17Å; D250-L292 HydrophobicContact CB-CD1 4.13Å; D250-L292 HydrophobicContact CB-CD2 4.42Å
251N79Confident85Confident38 Ų3831.9 Ų31.920%0.20318%0.178CC..THydrogen-bonded Turntrans60.7-86.6173.4-167.6-8.3000114.5Y249 T336Y249-N251 WeakPolarHBondContact CE2-O 2.94Å; Y249-N251 PolarHBondContact OH-O 3.18Å; N251-T336 HydrophobicContact CB-CG2 4.36Å; N251-T336 WeakPolarHBondContact ND2-CG2 3.49Å; N251-T336 PolarHBondContact ND2-OG1 3.2Å
252V80.3Confident85.1Confident2 Ų228.2 Ų28.21%0.01215%0.152CC..THydrogen-bonded Turntrans-88.8-24.9176.5-171.90000110.7D250 S266 L329 Q332 I333 T336D250-V252 PolarHBondContact O-N 3.44Å; V252-S266 WeakPolarHBondContact O-CA 3.37Å; V252-L329 HydrophobicContact CG1-CD1 3.51Å; V252-Q332 HydrophobicContact CG1-CB 4.13Å; V252-Q332 HydrophobicContact CG2-CB 4.03Å; V252-I333 HydrophobicContact CB-CG1 4.42Å; V252-I333 HydrophobicContact CG1-CG1 3.99Å; V252-T336 WeakPolarHBondContact CG2-OG1 3.42Å
253Y84.9Confident85.2Confident20 Ų2025.3 Ų25.38%0.07814%0.137CC..EExtended strand (participates in β ladder)trans-97132.5-170.4-52.7-69.5000112D250 V264 R265 I273 A310 I333D250-Y253 PolarHBondContact N-O 3.12Å; D250-Y253 PolarHBondContact O-N 3.17Å; Y253-V264 HydrophobicContact CD1-CG1 3.83Å; Y253-V264 HydrophobicContact CG-CG1 4.29Å; Y253-R265 CarbonylContact C-O 3.47Å; Y253-R265 WeakPolarHBondContact CA-O 3.29Å; Y253-I273 HydrophobicContact CD1-CD1 3.64Å; Y253-I273 HydrophobicContact CE1-CD1 3.71Å; Y253-A310 HydrophobicContact CD2-CB 4.19Å; Y253-A310 HydrophobicContact CE2-CB 3.71Å; Y253-I333 HydrophobicContact CE1-CD1 4.14Å; Y253-I333 HydrophobicContact CE1-CG1 4.49Å
254L87.9Confident85.4Confident0 Ų023.3 Ų23.30%013%0.125CC..EExtended strand (participates in β ladder)trans-113.3117.2168.6-168.175.3000108.7F222 I238 W240 V247 Y249 R265 V267F222-L254 HydrophobicContact CE1-CD2 4.38Å; F222-L254 HydrophobicContact CZ-CD2 3.96Å; I238-L254 HydrophobicContact CD1-CD2 3.44Å; I238-L254 VanDerWaalsContact CD1-CD2 3.44Å; W240-L254 HydrophobicContact CH2-CD2 4.02Å; W240-L254 HydrophobicContact CH2-CG 4.12Å; W240-L254 HydrophobicContact CZ2-CD2 3.76Å; W240-L254 HydrophobicContact CZ2-CG 4.23Å; V247-L254 HydrophobicContact CG1-CD1 3.45Å; V247-L254 VanDerWaalsContact CG1-CD1 3.45Å; V247-L254 HydrophobicContact CG1-CD2 4.11Å; V247-L254 HydrophobicContact CG1-CG 3.6Å; Y249-L254 HydrophobicContact CD2-CD1 4.3Å; L254-R265 PolarHBondContact N-O 2.88Å; L254-R265 PolarHBondContact O-N 3.09Å; L254-V267 HydrophobicContact CB-CG2 4.01Å
255I88.5Confident85.6Confident4 Ų424.6 Ų24.62%0.02113%0.129CC..EExtended strand (participates in β ladder)trans-113.3111-167.9-59.9161.6000108.7V247 E248 I262 E263 V264 I284 L292V247-I255 CarbonylContact C-O 3.42Å; V247-I255 VanDerWaalsContact CA-O 3.29Å; V247-I255 WeakPolarHBondContact CA-O 3.33Å; E248-I255 PolarHBondContact N-O 2.79Å; E248-I255 PolarHBondContact O-N 2.8Å; I255-I262 HydrophobicContact CG2-CG2 3.38Å; I255-E263 WeakPolarHBondContact CA-O 3.45Å; I255-V264 HydrophobicContact CG1-CG1 4.24Å; I255-V264 HydrophobicContact CG1-CG2 4.3Å; I255-I284 HydrophobicContact CB-CD1 4.28Å; I255-I284 HydrophobicContact CG2-CD1 3.62Å; I255-L292 HydrophobicContact CD1-CD1 3.12Å; I255-L292 HydrophobicContact CD1-CD2 3.57Å; I255-L292 HydrophobicContact CD1-CG 3.9Å
256G88.1Confident85.8Confident0 Ų022.1 Ų22.10%011%0.114CC..EExtended strand (participates in β ladder)trans-96.1121.1176.400000111.3W240 L258 I262 E263W240-G256 VanDerWaalsContact CZ3-CA 3.44Å; G256-L258 PolarHBondContact O-N 3.21Å; G256-I262 WeakPolarHBondContact O-CA 3.48Å; G256-E263 PolarHBondContact N-O 3.21Å; G256-E263 PolarHBondContact O-N 3.27Å
257L87Confident85.7Confident1 Ų121 Ų211%0.00511%0.105CC..EExtended strand (participates in β ladder)trans-80.3111.4169.8-68.9-169.6000109.7P244 T245 A246 I262 V281 I284P244-L257 CarbonylContact C-O 3.56Å; P244-L257 WeakPolarHBondContact CA-O 3.44Å; T245-L257 PolarHBondContact N-O 3.48Å; A246-L257 HydrophobicContact CB-CD1 4.18Å; A246-L257 PolarHBondContact O-N 3.36Å; L257-I262 HydrophobicContact CD2-CD1 3.76Å; L257-I262 HydrophobicContact CD2-CG1 3.74Å; L257-I262 HydrophobicContact CD2-CG2 4.24Å; L257-V281 HydrophobicContact CD1-CB 4.39Å; L257-V281 HydrophobicContact CD1-CG1 3.77Å; L257-V281 HydrophobicContact CD2-CB 4.13Å; L257-V281 HydrophobicContact CD2-CG1 3.7Å; L257-V281 HydrophobicContact CG-CG1 4.39Å; L257-I284 HydrophobicContact CD1-CB 3.78Å; L257-I284 HydrophobicContact CD1-CG2 3.51Å; L257-I284 HydrophobicContact CD2-CB 4.22Å; L257-I284 HydrophobicContact CD2-CD1 4.16Å; L257-I284 HydrophobicContact CD2-CG2 4.39Å; L257-I284 HydrophobicContact CG-CB 4.11Å; L257-I284 HydrophobicContact CG-CG2 3.77Å
258L86Confident85.4Confident4 Ų424.8 Ų24.82%0.02112%0.121CC..  trans-107161.7175.5-55.4132.9000109.5W240 D242 P244 G256 K260 V261 E263W240-L258 HydrophobicContact CB-CD2 4.01Å; D242-L258 HydrophobicContact CB-CB 4.44Å; D242-L258 HydrophobicContact CB-CD2 3.65Å; D242-L258 WeakPolarHBondContact O-CD2 3.34Å; P244-L258 HydrophobicContact CB-CD2 4.37Å; G256-L258 PolarHBondContact O-N 3.21Å; L258-K260 PolarHBondContact O-N 2.93Å; L258-K260 VanDerWaalsContact O-N 3.08Å; L258-V261 CarbonylContact C-O 3.6Å; L258-V261 VanDerWaalsContact CA-O 3.3Å; L258-V261 WeakPolarHBondContact CA-O 3.02Å; L258-V261 HydrophobicContact CB-CG2 4.17Å; L258-V261 WeakPolarHBondContact CB-O 3.27Å; L258-V261 HydrophobicContact CD1-CG2 3.86Å; L258-V261 PolarHBondContact N-O 3.42Å; L258-V261 VanDerWaalsContact O-O 3.14Å; L258-E263 HydrophobicContact CD1-CB 3.67Å; L258-E263 VanDerWaalsContact CD1-CD 3.5Å; L258-E263 HydrophobicContact CD1-CG 3.32Å; L258-E263 WeakPolarHBondContact CD1-OE2 3.27Å
259P80.5Confident85Confident68 Ų6823.6 Ų23.644%0.44212%0.119SC..SBendtrans-56.9-30.8-175.4-27.835.9000114.5K280P259-K280 PolarHBondContact O-N 3.21Å
260K82.3Confident84.9Confident147 Ų14725.2 Ų25.264%0.63913%0.131SC*.SBendtrans-111-27.6-175.7-63.7-178.3-177.5175.10114.5L258L258-K260 PolarHBondContact O-N 2.93Å; L258-K260 VanDerWaalsContact O-N 3.08Å
261V87.9Confident84.9Confident31 Ų3128 Ų2819%0.18814%0.143CC..  trans-143.6156.7-170.7-63.30000110.3L258 E263 V276 E277L258-V261 CarbonylContact C-O 3.6Å; L258-V261 VanDerWaalsContact CA-O 3.3Å; L258-V261 WeakPolarHBondContact CA-O 3.02Å; L258-V261 HydrophobicContact CB-CG2 4.17Å; L258-V261 WeakPolarHBondContact CB-O 3.27Å; L258-V261 HydrophobicContact CD1-CG2 3.86Å; L258-V261 PolarHBondContact N-O 3.42Å; L258-V261 VanDerWaalsContact O-O 3.14Å; V261-E263 HydrophobicContact CG2-CG 4.21Å; V261-V276 CarbonylContact C-O 3.59Å; V261-V276 WeakPolarHBondContact CA-O 3.49Å; V261-E277 HydrophobicContact CG1-CG 4.22Å
262I87.8Confident85.3Confident1 Ų129.3 Ų29.31%0.00515%0.15CC..EExtended strand (participates in β ladder)trans-100.5121.3164.1-55.8-177.6000106.9I255 G256 L257 S275 V276 L278 V281 L308I255-I262 HydrophobicContact CG2-CG2 3.38Å; G256-I262 WeakPolarHBondContact O-CA 3.48Å; L257-I262 HydrophobicContact CD2-CD1 3.76Å; L257-I262 HydrophobicContact CD2-CG1 3.74Å; L257-I262 HydrophobicContact CD2-CG2 4.24Å; I262-S275 CarbonylContact O-C 3.58Å; I262-S275 WeakPolarHBondContact O-CA 3.38Å; I262-V276 HydrophobicContact CB-CB 4.32Å; I262-V276 PolarHBondContact N-O 3.17Å; I262-V276 PolarHBondContact O-N 2.96Å; I262-L278 HydrophobicContact CD1-CB 4.13Å; I262-L278 HydrophobicContact CD1-CD1 3.67Å; I262-L278 HydrophobicContact CG1-CB 4.21Å; I262-V281 HydrophobicContact CD1-CG2 4.12Å; I262-V281 HydrophobicContact CG1-CG2 4.34Å; I262-L308 HydrophobicContact CD1-CD1 4.27Å
263E89.4Confident85.4Confident8 Ų829.7 Ų29.74%0.03715%0.152CC..EExtended strand (participates in β ladder)trans-98.1126.1174.4-75.4-174.8125.400109.9W240 S241 I255 G256 L258 V261 R265 L272W240-E263 HydrophobicContact CE3-CB 3.97Å; W240-E263 HydrophobicContact CZ3-CB 3.91Å; S241-E263 WeakPolarHBondContact CB-OE1 3.46Å; S241-E263 PolarHBondContact N-OE2 3.08Å; S241-E263 VanDerWaalsContact OG-CD 3.28Å; S241-E263 PolarHBondContact OG-OE1 3.39Å; S241-E263 PolarHBondContact OG-OE2 3.29Å; I255-E263 WeakPolarHBondContact CA-O 3.45Å; G256-E263 PolarHBondContact N-O 3.21Å; G256-E263 PolarHBondContact O-N 3.27Å; L258-E263 HydrophobicContact CD1-CB 3.67Å; L258-E263 VanDerWaalsContact CD1-CD 3.5Å; L258-E263 HydrophobicContact CD1-CG 3.32Å; L258-E263 WeakPolarHBondContact CD1-OE2 3.27Å; V261-E263 HydrophobicContact CG2-CG 4.21Å; E263-R265 IonicContact OE1-CZ 3.19Å; E263-R265 IonicContact OE1-NH1 3.59Å; E263-R265 PolarHBondContact OE1-NH1 3.48Å; E263-R265 IonicContact OE1-NH2 3.79Å; E263-R265 PolarHBondContact OE1-NH2 2.86Å; E263-R265 IonicContact OE2-CZ 3.43Å; E263-R265 IonicContact OE2-NH1 2.84Å; E263-R265 PolarHBondContact OE2-NH1 2.59Å; E263-R265 IonicContact OE2-NH2 3.12Å; E263-L272 HydrophobicContact CB-CD1 4.14Å; E263-L272 HydrophobicContact CG-CD1 4.25Å
264V88.4Confident85.4Confident18 Ų1833.4 Ų33.411%0.10917%0.17CC..EExtended strand (participates in β ladder)trans-104.6113.7175.2-174.50000108.3Y253 I255 I273 Q274Y253-V264 HydrophobicContact CD1-CG1 3.83Å; Y253-V264 HydrophobicContact CG-CG1 4.29Å; I255-V264 HydrophobicContact CG1-CG1 4.24Å; I255-V264 HydrophobicContact CG1-CG2 4.3Å; V264-I273 WeakPolarHBondContact O-CB 3.23Å; V264-I273 PolarHBondContact O-N 2.79Å; V264-Q274 HydrophobicContact CB-CB 4.47Å; V264-Q274 PolarHBondContact N-O 3.29Å; V264-Q274 PolarHBondContact O-N 3.07Å
265R89.5Confident85.4Confident26 Ų2636.2 Ų36.210%0.09819%0.19CC..EExtended strand (participates in β ladder)trans-115.6163.1178.4-66-159.6156.276.87.6111.8I238 W240 Y253 L254 E263 F271 L272I238-R265 VanDerWaalsContact CG2-CD 3.44Å; W240-R265 HydrophobicContact CZ3-CG 4.21Å; Y253-R265 CarbonylContact C-O 3.47Å; Y253-R265 WeakPolarHBondContact CA-O 3.29Å; L254-R265 PolarHBondContact N-O 2.88Å; L254-R265 PolarHBondContact O-N 3.09Å; E263-R265 IonicContact OE1-CZ 3.19Å; E263-R265 IonicContact OE1-NH1 3.59Å; E263-R265 PolarHBondContact OE1-NH1 3.48Å; E263-R265 IonicContact OE1-NH2 3.79Å; E263-R265 PolarHBondContact OE1-NH2 2.86Å; E263-R265 IonicContact OE2-CZ 3.43Å; E263-R265 IonicContact OE2-NH1 2.84Å; E263-R265 PolarHBondContact OE2-NH1 2.59Å; E263-R265 IonicContact OE2-NH2 3.12Å; R265-F271 CarbonylContact C-O 2.97Å; R265-F271 WeakPolarHBondContact CA-O 3.41Å; R265-F271 WeakPolarHBondContact CB-O 3.14Å; R265-L272 HydrophobicContact CG-CB 4.46Å; R265-L272 HydrophobicContact CG-CD1 3.99Å
266S86.7Confident85.2Confident0 Ų037.6 Ų37.60%020%0.198CC..EExtended strand (participates in β ladder)trans-94.8153.7162.551.30000111.4V252 P269 S270 F271 L329V252-S266 WeakPolarHBondContact O-CA 3.37Å; S266-P269 CarbonylContact C-O 3.53Å; S266-P269 WeakPolarHBondContact CB-O 3.32Å; S266-P269 PolarHBondContact OG-O 3.32Å; S266-S270 WeakPolarHBondContact O-CA 3.35Å; S266-F271 PolarHBondContact N-O 3.46Å; S266-F271 WeakPolarHBondContact OG-CB 3.3Å; S266-F271 PolarHBondContact OG-N 3.28Å; S266-L329 VanDerWaalsContact CB-CD1 3.49Å
267V83.2Confident85Confident1 Ų146 Ų461%0.00624%0.237CC..THydrogen-bonded Turntrans-80-46.3-179.8-177.50000112M206 F222 Y235 Y249 L254M206-V267 HydrophobicContact SD-CG1 4.33Å; M206-V267 HydrophobicContact SD-CG2 4.08Å; F222-V267 HydrophobicContact CE1-CG1 4.16Å; F222-V267 HydrophobicContact CE2-CG1 4.38Å; F222-V267 HydrophobicContact CZ-CG1 3.9Å; Y235-V267 HydrophobicContact CD1-CG1 3.5Å; Y235-V267 VanDerWaalsContact CD1-CG1 3.5Å; Y235-V267 HydrophobicContact CE1-CG1 3.41Å; Y235-V267 VanDerWaalsContact CE1-CG1 3.41Å; Y249-V267 HydrophobicContact CD2-CG2 3.97Å; Y249-V267 HydrophobicContact CE2-CG2 3.76Å; L254-V267 HydrophobicContact CB-CG2 4.01Å
268K81.4Confident84.6Confident83 Ų8347.2 Ų47.236%0.36124%0.244SC..THydrogen-bonded Turntrans-146108.3-178.1-172.8176.8-179.3-179.30110.5D233 Q332D233-K268 PolarHBondContact O-NZ 3.06Å; K268-Q332 PolarHBondContact O-NE2 2.88Å; K268-Q332 PolarHBondContact O-OE1 3.44Å
269P77.9Confident84.1Confident37 Ų3753.3 Ų53.324%0.2427%0.272CS..THydrogen-bonded Turncis-67.6159.2-2.329.3-35.7000112.5S266 F271S266-P269 CarbonylContact C-O 3.53Å; S266-P269 WeakPolarHBondContact CB-O 3.32Å; S266-P269 PolarHBondContact OG-O 3.32Å; P269-F271 PolarHBondContact O-N 3.05Å
270S83.2Confident83.8Confident40 Ų4055.6 Ų55.628%0.2828%0.275SS..THydrogen-bonded Turntrans-72106.2171-175.20000109.8I238 S266I238-S270 WeakPolarHBondContact CG1-OG 3.46Å; S266-S270 WeakPolarHBondContact O-CA 3.35Å
271F83.6Confident83.5Confident58 Ų5849.2 Ų49.225%0.25425%0.248SC..EExtended strand (participates in β ladder)trans-140.1137.6-177.3-174.3-101.2000110.7R265 S266 P269 I273 L321 L329R265-F271 CarbonylContact C-O 2.97Å; R265-F271 WeakPolarHBondContact CA-O 3.41Å; R265-F271 WeakPolarHBondContact CB-O 3.14Å; S266-F271 PolarHBondContact N-O 3.46Å; S266-F271 WeakPolarHBondContact OG-CB 3.3Å; S266-F271 PolarHBondContact OG-N 3.28Å; P269-F271 PolarHBondContact O-N 3.05Å; F271-I273 HydrophobicContact CD1-CG1 4.07Å; F271-I273 PolarHBondContact O-N 3.49Å; F271-L321 HydrophobicContact CE1-CD2 4.24Å; F271-L329 HydrophobicContact CB-CD2 4.44Å; F271-L329 HydrophobicContact CD1-CD2 3.93Å
272L86.2Confident82.9Confident67 Ų6753.4 Ų53.435%0.35126%0.264SS..EExtended strand (participates in β ladder)trans-82.3111.4173.4176.966.1000109.5E263 R265E263-L272 HydrophobicContact CB-CD1 4.14Å; E263-L272 HydrophobicContact CG-CD1 4.25Å; R265-L272 HydrophobicContact CG-CB 4.46Å; R265-L272 HydrophobicContact CG-CD1 3.99Å
273I83Confident82.3Confident10 Ų1057.8 Ų57.85%0.05129%0.287CS..EExtended strand (participates in β ladder)trans-86.4-43.3-176-61.3172.1000110.8Y253 V264 F271 R320 L329Y253-I273 HydrophobicContact CD1-CD1 3.64Å; Y253-I273 HydrophobicContact CE1-CD1 3.71Å; V264-I273 WeakPolarHBondContact O-CB 3.23Å; V264-I273 PolarHBondContact O-N 2.79Å; F271-I273 HydrophobicContact CD1-CG1 4.07Å; F271-I273 PolarHBondContact O-N 3.49Å; I273-R320 PolarHBondContact O-NH2 3.24Å; I273-L329 HydrophobicContact CD1-CD1 4.48Å; I273-L329 HydrophobicContact CD1-CD2 4.06Å; I273-L329 HydrophobicContact CG1-CD2 4.03Å
274Q85.5Confident81.9Confident97 Ų9758.2 Ų58.245%0.45329%0.289SS..EExtended strand (participates in β ladder)trans-161.2147.7-176.4-171.9173.92.900111V264 V276V264-Q274 HydrophobicContact CB-CB 4.47Å; V264-Q274 PolarHBondContact N-O 3.29Å; V264-Q274 PolarHBondContact O-N 3.07Å; Q274-V276 HydrophobicContact CG-CG2 4.2Å
275S86.8Confident81.3Confident60 Ų6058.4 Ų58.442%0.4229%0.29SS..EExtended strand (participates in β ladder)trans-115.9128.6165.7-56.60000108.6I262I262-S275 CarbonylContact O-C 3.58Å; I262-S275 WeakPolarHBondContact O-CA 3.38Å
276V85.6Confident80.6Confident33 Ų3361.6 Ų61.620%0.230%0.303CS..EExtended strand (participates in β ladder)trans-110119.7179.8-172.60000108.5V261 I262 Q274 L278V261-V276 CarbonylContact C-O 3.59Å; V261-V276 WeakPolarHBondContact CA-O 3.49Å; I262-V276 HydrophobicContact CB-CB 4.32Å; I262-V276 PolarHBondContact N-O 3.17Å; I262-V276 PolarHBondContact O-N 2.96Å; Q274-V276 HydrophobicContact CG-CG2 4.2Å; V276-L278 VanDerWaalsContact C-N 3.32Å; V276-L278 HydrophobicContact CG1-CD1 3.84Å; V276-L278 HydrophobicContact CG1-CG 3.95Å; V276-L278 PolarHBondContact O-N 2.94Å
277E84.2Confident79.7Confident175 Ų17563.1 Ų63.182%0.81831%0.313SS*.  trans-7583179.1-65.2-174.3179.600111V261V261-E277 HydrophobicContact CG1-CG 4.22Å
278L78.1Confident78.9Confident27 Ų2765.4 Ų65.414%0.14133%0.329CS..  trans-121.5115.5171.6-73.2167.8000109I262 V276 V281 F306I262-L278 HydrophobicContact CD1-CB 4.13Å; I262-L278 HydrophobicContact CD1-CD1 3.67Å; I262-L278 HydrophobicContact CG1-CB 4.21Å; V276-L278 VanDerWaalsContact C-N 3.32Å; V276-L278 HydrophobicContact CG1-CD1 3.84Å; V276-L278 HydrophobicContact CG1-CG 3.95Å; V276-L278 PolarHBondContact O-N 2.94Å; L278-V281 HydrophobicContact CB-CG2 3.83Å; L278-F306 HydrophobicContact CD2-CD1 4.25Å; L278-F306 HydrophobicContact CD2-CD2 4.33Å; L278-F306 HydrophobicContact CD2-CE1 4.14Å; L278-F306 HydrophobicContact CD2-CE2 4.22Å; L278-F306 HydrophobicContact CD2-CG 4.35Å; L278-F306 HydrophobicContact CD2-CZ 4.12Å
279Q75.4Confident78.1Confident132 Ų13263.7 Ų63.762%0.61733%0.327SS*.  trans-88150.6-178.4-61.6-175.4-0.700111.3V281 C296Q279-V281 VanDerWaalsContact C-N 3.27Å; Q279-V281 PolarHBondContact O-N 3.45Å; Q279-C296 PolarHBondContact O-SG 3.36Å
280K73.8Confident77.5Confident117 Ų11762.1 Ų62.151%0.50932%0.317SS..SBendtrans5734.4170.3-57.5179.7179.91760114.8P259 K282 S297P259-K280 PolarHBondContact O-N 3.21Å; K280-K282 PolarHBondContact O-N 3.47Å; K280-S297 WeakPolarHBondContact CB-O 3.47Å; K280-S297 WeakPolarHBondContact CD-O 3.34Å; K280-S297 PolarHBondContact O-N 2.91Å; K280-S297 VanDerWaalsContact O-N 3.08Å
281V75.7Confident76.9Confident13 Ų1362.9 Ų62.98%0.07932%0.316CS..EExtended strand (participates in β ladder)trans-70122.8170.6-172.40000108.9L257 I262 L278 Q279 C294 A295L257-V281 HydrophobicContact CD1-CB 4.39Å; L257-V281 HydrophobicContact CD1-CG1 3.77Å; L257-V281 HydrophobicContact CD2-CB 4.13Å; L257-V281 HydrophobicContact CD2-CG1 3.7Å; L257-V281 HydrophobicContact CG-CG1 4.39Å; I262-V281 HydrophobicContact CD1-CG2 4.12Å; I262-V281 HydrophobicContact CG1-CG2 4.34Å; L278-V281 HydrophobicContact CB-CG2 3.83Å; Q279-V281 VanDerWaalsContact C-N 3.27Å; Q279-V281 PolarHBondContact O-N 3.45Å; V281-C294 HydrophobicContact CG1-CB 3.88Å; V281-A295 WeakPolarHBondContact CA-O 3.48Å
282K75Confident76.5Confident118 Ų11860.3 Ų60.351%0.51331%0.305SS..EExtended strand (participates in β ladder)trans-97.2-34.4-176.8-73.3-175.6172.1161.90113.2K280 A295 S297K280-K282 PolarHBondContact O-N 3.47Å; K282-A295 PolarHBondContact N-O 3.5Å; K282-S297 VanDerWaalsContact NZ-CB 3.29Å; K282-S297 PolarHBondContact NZ-OG 3.01Å
283L76.1Confident76.1Confident94 Ų9457.9 Ų57.949%0.49229%0.291SS..EExtended strand (participates in β ladder)trans-142.5140.4-173.6-68.1167000109.2C294 A295L283-C294 CarbonylContact O-C 3.59Å; L283-C294 WeakPolarHBondContact O-CA 3.3Å; L283-A295 HydrophobicContact CB-CB 4.13Å; L283-A295 PolarHBondContact O-N 3.21Å
284I80.1Confident75.9Confident16 Ų1657.4 Ų57.48%0.08229%0.289CS..EExtended strand (participates in β ladder)trans-124.6145.6167.9-175.7163.9000108A246 E248 I255 L257 L292 Y293A246-I284 HydrophobicContact CB-CG2 4.3Å; E248-I284 HydrophobicContact CB-CD1 4.31Å; E248-I284 HydrophobicContact CB-CG1 4.4Å; E248-I284 HydrophobicContact CB-CG2 4.19Å; E248-I284 HydrophobicContact CG-CB 4.24Å; E248-I284 HydrophobicContact CG-CD1 4.47Å; E248-I284 HydrophobicContact CG-CG1 4.09Å; E248-I284 HydrophobicContact CG-CG2 3.34Å; I255-I284 HydrophobicContact CB-CD1 4.28Å; I255-I284 HydrophobicContact CG2-CD1 3.62Å; L257-I284 HydrophobicContact CD1-CB 3.78Å; L257-I284 HydrophobicContact CD1-CG2 3.51Å; L257-I284 HydrophobicContact CD2-CB 4.22Å; L257-I284 HydrophobicContact CD2-CD1 4.16Å; L257-I284 HydrophobicContact CD2-CG2 4.39Å; L257-I284 HydrophobicContact CG-CB 4.11Å; L257-I284 HydrophobicContact CG-CG2 3.77Å; I284-L292 HydrophobicContact CD1-CB 4.49Å; I284-L292 HydrophobicContact CD1-CD2 4.01Å; I284-L292 HydrophobicContact CG1-CB 4.49Å; I284-L292 HydrophobicContact CG1-CD2 4.16Å; I284-Y293 CarbonylContact C-O 3.5Å; I284-Y293 VanDerWaalsContact CA-O 3.27Å; I284-Y293 WeakPolarHBondContact CA-O 3.46Å
285T76.2Confident75.5Confident22 Ų2252.9 Ų52.914%0.13527%0.268CS..EExtended strand (participates in β ladder)trans-142.3133.5170.4-174.90000109.6M1 Y293M1-T285 HydrophobicContact CB-CG2 3.81Å; M1-T285 PolarHBondContact O-OG1 3.31Å; T285-Y293 PolarHBondContact N-O 3.08Å; T285-Y293 PolarHBondContact O-N 3.43Å
286R74.9Confident75Confident94 Ų9450.7 Ų50.736%0.35525%0.252SS..EExtended strand (participates in β ladder)trans-69.8150.1166.7-178.2175.1-179.5-162.5-3.1110.1Y249 D250 L292Y249-R286 VanDerWaalsContact O-CD 3.25Å; Y249-R286 WeakPolarHBondContact O-CD 3.33Å; Y249-R286 PolarHBondContact O-NH1 2.72Å; D250-R286 IonicContact OD1-CZ 3.78Å; D250-R286 IonicContact OD1-NE 3.7Å; D250-R286 PolarHBondContact OD1-NE 2.97Å; D250-R286 IonicContact OD1-NH2 3.79Å; D250-R286 PolarHBondContact OD1-NH2 2.65Å; D250-R286 VanDerWaalsContact OD1-NH2 3.16Å; R286-L292 HydrophobicContact CB-CD2 4.19Å
287S68.4Low74.3Confident32 Ų3249.7 Ų49.722%0.22425%0.247CC..EExtended strand (participates in β ladder)trans-116.9-66.717555.60000115F291 Y293S287-F291 PolarHBondContact N-O 2.89Å; S287-F291 WeakPolarHBondContact OG-CB 3.49Å; S287-F291 PolarHBondContact OG-O 3.22Å; S287-Y293 WeakPolarHBondContact OG-CE2 3.3Å
288S65.2Low73.3Confident48 Ų4843.1 Ų43.134%0.33622%0.219SC..EExtended strand (participates in β ladder)trans-146.6153.6179.641.70000105.5K3 G290 F291K3-S288 PolarHBondContact NZ-OG 2.99Å; S288-G290 PolarHBondContact O-N 2.95Å; S288-F291 PolarHBondContact O-N 3.39Å
289C65.4Low72.4Confident48 Ų4846.4 Ų46.432%0.32425%0.25SC..THydrogen-bonded Turntrans-43.3116.9-175.2-1670000112D250 T336D250-C289 WeakPolarHBondContact OD1-CA 3.5Å; C289-T336 VanDerWaalsContact SG-CG2 3.58Å
290G65.2Low71.6Confident3 Ų343.8 Ų43.83%0.03125%0.246CC..THydrogen-bonded Turntrans92.24.6179.300000116.5D250 S288 A310D250-G290 PolarHBondContact OD1-N 3.32Å; D250-G290 WeakPolarHBondContact OD2-CA 3.28Å; D250-G290 PolarHBondContact OD2-N 3.28Å; S288-G290 PolarHBondContact O-N 2.95Å; G290-A310 WeakPolarHBondContact O-CB 3.37Å; G290-A310 PolarHBondContact O-N 3.34Å
291F71.1Confident71Confident56 Ų5645.2 Ų45.225%0.24626%0.259CS..EExtended strand (participates in β ladder)trans-130.6120.9-178.3-63.6-79.8000112.1D250 S287 S288 D309 N311D250-F291 PolarHBondContact OD2-N 3.17Å; S287-F291 PolarHBondContact N-O 2.89Å; S287-F291 WeakPolarHBondContact OG-CB 3.49Å; S287-F291 PolarHBondContact OG-O 3.22Å; S288-F291 PolarHBondContact O-N 3.39Å; F291-D309 HydrophobicContact CD1-CB 4.4Å; F291-D309 HydrophobicContact CE1-CB 4.38Å; F291-N311 WeakPolarHBondContact CE2-ND2 3.38Å; F291-N311 WeakPolarHBondContact CZ-ND2 3.46Å
292L75.6Confident70.5Confident5 Ų550.5 Ų50.53%0.02628%0.283CS..EExtended strand (participates in β ladder)trans-125.9149.1176.7-61.1110.9000112.3E248 D250 I255 I284 R286 F307 L308E248-L292 HydrophobicContact CB-CD2 4.25Å; D250-L292 HydrophobicContact CB-CD1 4.13Å; D250-L292 HydrophobicContact CB-CD2 4.42Å; I255-L292 HydrophobicContact CD1-CD1 3.12Å; I255-L292 HydrophobicContact CD1-CD2 3.57Å; I255-L292 HydrophobicContact CD1-CG 3.9Å; I284-L292 HydrophobicContact CD1-CB 4.49Å; I284-L292 HydrophobicContact CD1-CD2 4.01Å; I284-L292 HydrophobicContact CG1-CB 4.49Å; I284-L292 HydrophobicContact CG1-CD2 4.16Å; R286-L292 HydrophobicContact CB-CD2 4.19Å; L292-F307 CarbonylContact O-C 3.56Å; L292-F307 WeakPolarHBondContact O-CA 3.48Å; L292-L308 HydrophobicContact CB-CB 4.36Å; L292-L308 PolarHBondContact N-O 2.85Å; L292-L308 PolarHBondContact O-N 3.23Å
293Y76.6Confident70.2Confident15 Ų1549 Ų496%0.05928%0.284CS..EExtended strand (participates in β ladder)trans-117.6133.2177.1-63.9-85.8000110.2K3 V9 V23 I284 T285 S287 F306 F307K3-Y293 HydrophobicContact CD-CE2 4.28Å; V9-Y293 HydrophobicContact CG2-CD1 3.99Å; V9-Y293 HydrophobicContact CG2-CD2 3.9Å; V9-Y293 HydrophobicContact CG2-CE1 3.77Å; V9-Y293 HydrophobicContact CG2-CE2 3.7Å; V9-Y293 HydrophobicContact CG2-CG 4.04Å; V23-Y293 HydrophobicContact CG1-CE1 4.49Å; V23-Y293 HydrophobicContact CG2-CE1 3.8Å; I284-Y293 CarbonylContact C-O 3.5Å; I284-Y293 VanDerWaalsContact CA-O 3.27Å; I284-Y293 WeakPolarHBondContact CA-O 3.46Å; T285-Y293 PolarHBondContact N-O 3.08Å; T285-Y293 PolarHBondContact O-N 3.43Å; S287-Y293 WeakPolarHBondContact OG-CE2 3.3Å; Y293-F306 CarbonylContact C-O 3.57Å; Y293-F306 WeakPolarHBondContact CA-O 3.48Å; Y293-F307 HydrophobicContact CD1-CB 3.78Å; Y293-F307 HydrophobicContact CE1-CB 3.66Å
294C78.7Confident70.1Confident0 Ų048 Ų480%028%0.279CS..EExtended strand (participates in β ladder)trans-121133.8-178.9-64.10000110.4V281 L283 F306V281-C294 HydrophobicContact CG1-CB 3.88Å; L283-C294 CarbonylContact O-C 3.59Å; L283-C294 WeakPolarHBondContact O-CA 3.3Å; C294-F306 HydrophobicContact CB-CB 4.31Å; C294-F306 PolarHBondContact N-O 3.44Å; C294-F306 PolarHBondContact O-N 2.65Å
295A77.7Confident69.8Low2 Ų250.1 Ų50.12%0.01729%0.29CS..EExtended strand (participates in β ladder)trans-103.5113176.500000110.4M1 V281 K282 L283 T303 L305M1-A295 HydrophobicContact CE-CB 3.25Å; M1-A295 HydrophobicContact SD-CB 3.84Å; V281-A295 WeakPolarHBondContact CA-O 3.48Å; K282-A295 PolarHBondContact N-O 3.5Å; L283-A295 HydrophobicContact CB-CB 4.13Å; L283-A295 PolarHBondContact O-N 3.21Å; A295-T303 HydrophobicContact CB-CG2 4.43Å; A295-L305 HydrophobicContact CB-CD2 4.36Å
296C75.9Confident69.8Low14 Ų1452.8 Ų52.810%0.09530%0.3CS..EExtended strand (participates in β ladder)trans-99.5133.6178.7-178.60000110.7Q279 T303 D304 F306Q279-C296 PolarHBondContact O-SG 3.36Å; C296-T303 CarbonylContact O-C 3.56Å; C296-T303 VanDerWaalsContact O-CA 3.25Å; C296-T303 WeakPolarHBondContact O-CA 3.45Å; C296-T303 WeakPolarHBondContact O-CG2 3.34Å; C296-D304 PolarHBondContact N-O 3.45Å; C296-D304 PolarHBondContact O-N 3.2Å; C296-F306 HydrophobicContact CB-CD2 3.87Å; C296-F306 HydrophobicContact CB-CE2 3.59Å
297S70.4Confident69.8Low12 Ų1252.2 Ų52.28%0.08430%0.3CS..EExtended strand (participates in β ladder)trans-97.2111.7172.4-169.10000109.6K280 K282K280-S297 WeakPolarHBondContact CB-O 3.47Å; K280-S297 WeakPolarHBondContact CD-O 3.34Å; K280-S297 PolarHBondContact O-N 2.91Å; K280-S297 VanDerWaalsContact O-N 3.08Å; K282-S297 VanDerWaalsContact NZ-CB 3.29Å; K282-S297 PolarHBondContact NZ-OG 3.01Å
298T63.8Low70.2Confident38 Ų3852.4 Ų52.423%0.23330%0.299CS..  trans-75.5164.3173.362.10000110.4S300 N301 Q302 D304T298-S300 PolarHBondContact O-N 3.4Å; T298-S300 VanDerWaalsContact O-N 3.15Å; T298-S300 PolarHBondContact OG1-OG 3.02Å; T298-N301 PolarHBondContact O-N 3.49Å; T298-Q302 PolarHBondContact N-O 3.39Å; T298-Q302 PolarHBondContact OG1-O 3.39Å; T298-D304 WeakPolarHBondContact CG2-OD2 3.35Å
299A59.8Low70.7Confident96 Ų9652.3 Ų52.379%0.79329%0.294SS*.THydrogen-bonded Turntrans-61.8-18.4177.900000113.2N301A299-N301 VanDerWaalsContact C-N 3.33Å; A299-N301 PolarHBondContact O-N 2.89Å
300S58.5Low71.1Confident76 Ų7651.1 Ų51.153%0.53129%0.288SS..THydrogen-bonded Turntrans-87.412.7-178.657.30000114.4T298 Q302T298-S300 PolarHBondContact O-N 3.4Å; T298-S300 VanDerWaalsContact O-N 3.15Å; T298-S300 PolarHBondContact OG1-OG 3.02Å; S300-Q302 PolarHBondContact O-N 3.18Å; S300-Q302 VanDerWaalsContact O-N 3.12Å; S300-Q302 PolarHBondContact OG-OE1 2.92Å
301N60.7Low71.4Confident147 Ų14753.9 Ų53.979%0.78630%0.302SS*.SBendtrans5911.8-169.7-78.8-28.3000114.5T298 A299T298-N301 PolarHBondContact O-N 3.49Å; A299-N301 VanDerWaalsContact C-N 3.33Å; A299-N301 PolarHBondContact O-N 2.89Å
302Q65Low71.3Confident125 Ų12555 Ų5558%0.58432%0.322SS*.  trans-80.7147.5167.6-68.8174.7-33.500109.3T298 S300T298-Q302 PolarHBondContact N-O 3.39Å; T298-Q302 PolarHBondContact OG1-O 3.39Å; S300-Q302 PolarHBondContact O-N 3.18Å; S300-Q302 VanDerWaalsContact O-N 3.12Å; S300-Q302 PolarHBondContact OG-OE1 2.92Å
303T68.1Low71.2Confident85 Ų8555.9 Ų55.952%0.52133%0.332SS..EExtended strand (participates in β ladder)trans-119.3111-179.7-28.40000107.9A295 C296A295-T303 HydrophobicContact CB-CG2 4.43Å; C296-T303 CarbonylContact O-C 3.56Å; C296-T303 VanDerWaalsContact O-CA 3.25Å; C296-T303 WeakPolarHBondContact O-CA 3.45Å; C296-T303 WeakPolarHBondContact O-CG2 3.34Å
304D74.5Confident71Confident73 Ų7355.3 Ų55.339%0.3933%0.33SS..EExtended strand (participates in β ladder)trans-92140.6178.5-63.7-28.1000109.4C296 T298 F306C296-D304 PolarHBondContact N-O 3.45Å; C296-D304 PolarHBondContact O-N 3.2Å; T298-D304 WeakPolarHBondContact CG2-OD2 3.35Å; D304-F306 HydrophobicContact CB-CE2 3.86Å; D304-F306 HydrophobicContact CB-CZ 4.36Å
305L74.4Confident71Confident62 Ų6259 Ų5933%0.32535%0.349SS..EExtended strand (participates in β ladder)trans-102.7113.8177-73.6173000109M1 Y21 A295M1-L305 HydrophobicContact CE-CD2 3.29Å; M1-L305 HydrophobicContact CE-CG 4.49Å; M1-L305 HydrophobicContact SD-CD2 3.34Å; M1-L305 WeakPolarHBondContact SD-CD2 3.49Å; Y21-L305 HydrophobicContact CD1-CD1 4.12Å; Y21-L305 HydrophobicContact CD2-CD1 3.77Å; Y21-L305 HydrophobicContact CE1-CD1 3.8Å; Y21-L305 HydrophobicContact CE2-CD1 3.43Å; Y21-L305 VanDerWaalsContact CE2-CD1 3.43Å; Y21-L305 HydrophobicContact CG-CD1 4.1Å; Y21-L305 VanDerWaalsContact CZ-CD1 3.43Å; A295-L305 HydrophobicContact CB-CD2 4.36Å
306F76Confident71.2Confident78 Ų7865.6 Ų65.634%0.34238%0.38SS..EExtended strand (participates in β ladder)trans-97.5144.1171.4-66.2-85.7000109.5L278 Y293 C294 C296 D304L278-F306 HydrophobicContact CD2-CD1 4.25Å; L278-F306 HydrophobicContact CD2-CD2 4.33Å; L278-F306 HydrophobicContact CD2-CE1 4.14Å; L278-F306 HydrophobicContact CD2-CE2 4.22Å; L278-F306 HydrophobicContact CD2-CG 4.35Å; L278-F306 HydrophobicContact CD2-CZ 4.12Å; Y293-F306 CarbonylContact C-O 3.57Å; Y293-F306 WeakPolarHBondContact CA-O 3.48Å; C294-F306 HydrophobicContact CB-CB 4.31Å; C294-F306 PolarHBondContact N-O 3.44Å; C294-F306 PolarHBondContact O-N 2.65Å; C296-F306 HydrophobicContact CB-CD2 3.87Å; C296-F306 HydrophobicContact CB-CE2 3.59Å; D304-F306 HydrophobicContact CB-CE2 3.86Å; D304-F306 HydrophobicContact CB-CZ 4.36Å
307F75.6Confident71.5Confident81 Ų8166.1 Ų66.136%0.35538%0.382SS..EExtended strand (participates in β ladder)trans-113.6135.9168.476.1-83000108.2I26 F32 L292 Y293 D309I26-F307 HydrophobicContact CD1-CE2 4.16Å; I26-F307 HydrophobicContact CD1-CZ 4.4Å; F32-F307 AromaticContact CE1-CE1 3.6Å; F32-F307 HydrophobicContact CE1-CE1 3.6Å; F32-F307 AromaticContact CE1-CZ 3.86Å; F32-F307 HydrophobicContact CE1-CZ 3.86Å; F32-F307 HydrophobicContact CE2-CZ 4.48Å; F32-F307 AromaticContact CZ-CE1 3.66Å; F32-F307 HydrophobicContact CZ-CE1 3.66Å; F32-F307 HydrophobicContact CZ-CE2 4.49Å; F32-F307 AromaticContact CZ-CZ 3.39Å; F32-F307 HydrophobicContact CZ-CZ 3.39Å; L292-F307 CarbonylContact O-C 3.56Å; L292-F307 WeakPolarHBondContact O-CA 3.48Å; Y293-F307 HydrophobicContact CD1-CB 3.78Å; Y293-F307 HydrophobicContact CE1-CB 3.66Å; F307-D309 HydrophobicContact CD2-CB 4.37Å; F307-D309 HydrophobicContact CE2-CB 4.17Å
308L77.1Confident72.1Confident37 Ų3766.3 Ų66.319%0.19438%0.382CS..EExtended strand (participates in β ladder)trans-108.3119.3175.2-64.3171.7000107.2I262 L292I262-L308 HydrophobicContact CD1-CD1 4.27Å; L292-L308 HydrophobicContact CB-CB 4.36Å; L292-L308 PolarHBondContact N-O 2.85Å; L292-L308 PolarHBondContact O-N 3.23Å
309D75.5Confident73.1Confident45 Ų4569.8 Ų69.824%0.24140%0.396CS..EExtended strand (participates in β ladder)trans-106.4110178.3-175-7.2000109.5F291 F307 N311 A312F291-D309 HydrophobicContact CD1-CB 4.4Å; F291-D309 HydrophobicContact CE1-CB 4.38Å; F307-D309 HydrophobicContact CD2-CB 4.37Å; F307-D309 HydrophobicContact CE2-CB 4.17Å; D309-N311 WeakPolarHBondContact OD1-CA 3.46Å; D309-N311 VanDerWaalsContact OD1-CB 3.3Å; D309-N311 WeakPolarHBondContact OD1-CB 3.44Å; D309-N311 PolarHBondContact OD1-N 3.38Å; D309-A312 HydrophobicContact CB-CB 4.43Å; D309-A312 PolarHBondContact OD1-N 2.99Å
310A73.1Confident74.3Confident23 Ų2369.2 Ų69.219%0.1937%0.373CS..THydrogen-bonded Turntrans-81.4-17.317600000112.6Y253 G290 A314Y253-A310 HydrophobicContact CD2-CB 4.19Å; Y253-A310 HydrophobicContact CE2-CB 3.71Å; G290-A310 WeakPolarHBondContact O-CB 3.37Å; G290-A310 PolarHBondContact O-N 3.34Å; A310-A314 WeakPolarHBondContact O-CB 3.39Å
311N71.2Confident75.6Confident62 Ų6265.6 Ų65.633%0.33235%0.348SS..THydrogen-bonded Turntrans-81-39.1-176.3-65.8-46.5000112F291 D309 G313 A314F291-N311 WeakPolarHBondContact CE2-ND2 3.38Å; F291-N311 WeakPolarHBondContact CZ-ND2 3.46Å; D309-N311 WeakPolarHBondContact OD1-CA 3.46Å; D309-N311 VanDerWaalsContact OD1-CB 3.3Å; D309-N311 WeakPolarHBondContact OD1-CB 3.44Å; D309-N311 PolarHBondContact OD1-N 3.38Å; N311-G313 VanDerWaalsContact C-N 3.34Å; N311-G313 PolarHBondContact O-N 2.86Å; N311-A314 VanDerWaalsContact O-CB 3.32Å; N311-A314 WeakPolarHBondContact O-CB 3.46Å; N311-A314 PolarHBondContact O-N 3.34Å; N311-A314 VanDerWaalsContact O-N 3.17Å
312A69Low76.7Confident80 Ų8060 Ų6066%0.66132%0.318SS*.THydrogen-bonded Turntrans-57.7-43.1-178.100000113.1D309D309-A312 HydrophobicContact CB-CB 4.43Å; D309-A312 PolarHBondContact OD1-N 2.99Å
313G73.1Confident77.8Confident23 Ų2362.2 Ų62.224%0.23733%0.326CS..THydrogen-bonded Turntrans-934.9179.100000114.8N311 I315 E316 N317N311-G313 VanDerWaalsContact C-N 3.34Å; N311-G313 PolarHBondContact O-N 2.86Å; G313-I315 VanDerWaalsContact C-N 3.34Å; G313-I315 PolarHBondContact O-N 3.32Å; G313-E316 PolarHBondContact O-N 3.35Å; G313-N317 WeakPolarHBondContact O-CB 3.16Å; G313-N317 VanDerWaalsContact O-CG 3.29Å; G313-N317 PolarHBondContact O-N 2.88Å; G313-N317 PolarHBondContact O-ND2 2.9Å
314A73.8Confident78.6Confident3 Ų362.6 Ų62.63%0.02532%0.322CS..Hα-helixtrans-66.3-35.5-166.600000112.9A310 N311 N317 V318 I337A310-A314 WeakPolarHBondContact O-CB 3.39Å; N311-A314 VanDerWaalsContact O-CB 3.32Å; N311-A314 WeakPolarHBondContact O-CB 3.46Å; N311-A314 PolarHBondContact O-N 3.34Å; N311-A314 VanDerWaalsContact O-N 3.17Å; A314-N317 PolarHBondContact O-N 3.12Å; A314-V318 VanDerWaalsContact O-CG2 3.29Å; A314-V318 WeakPolarHBondContact O-CG2 3.29Å; A314-V318 PolarHBondContact O-N 3.1Å; A314-I337 HydrophobicContact CB-CD1 3.34Å; A314-I337 HydrophobicContact CB-CG1 3.77Å
315I78.6Confident79Confident78 Ų7865.3 Ų65.340%0.433%0.331SS..Hα-helixtrans-67.7-45.9177.8-57.8178.2000110.7G313 N317 V318 Q319 R349G313-I315 VanDerWaalsContact C-N 3.34Å; G313-I315 PolarHBondContact O-N 3.32Å; I315-N317 VanDerWaalsContact C-N 3.3Å; I315-N317 PolarHBondContact O-N 3.41Å; I315-V318 PolarHBondContact O-N 3.43Å; I315-Q319 WeakPolarHBondContact O-CG 3.46Å; I315-Q319 PolarHBondContact O-N 3.3Å; I315-R349 VanDerWaalsContact CG1-NH1 3.34Å
316E82.3Confident79.5Confident140 Ų14065.8 Ų65.865%0.65433%0.331SS*.Hα-helixtrans-63.8-39.3177.1-63.4-177.9175.700110.9G313 Q319 R320G313-E316 PolarHBondContact O-N 3.35Å; E316-Q319 PolarHBondContact O-N 3.44Å; E316-R320 VanDerWaalsContact O-CB 3.31Å; E316-R320 WeakPolarHBondContact O-CB 3.21Å; E316-R320 PolarHBondContact O-N 3.5Å
317N81.2Confident79.9Confident25 Ų2563.4 Ų63.413%0.13432%0.32CS..Hα-helixtrans-62.2-46.1174.3-76.4-21.1000111.7G313 A314 I315 Q319 R320 L321G313-N317 WeakPolarHBondContact O-CB 3.16Å; G313-N317 VanDerWaalsContact O-CG 3.29Å; G313-N317 PolarHBondContact O-N 2.88Å; G313-N317 PolarHBondContact O-ND2 2.9Å; A314-N317 PolarHBondContact O-N 3.12Å; I315-N317 VanDerWaalsContact C-N 3.3Å; I315-N317 PolarHBondContact O-N 3.41Å; N317-Q319 VanDerWaalsContact C-N 3.34Å; N317-Q319 PolarHBondContact O-N 3.46Å; N317-R320 PolarHBondContact O-N 2.97Å; N317-L321 WeakPolarHBondContact O-CB 3.02Å; N317-L321 WeakPolarHBondContact O-CG 3.19Å; N317-L321 PolarHBondContact O-N 3.44Å
318V82.9Confident80.3Confident16 Ų1663.5 Ų63.510%0.09732%0.322CS..Hα-helixtrans-60.4-44.7175170.60000110.6A314 I315 R320 L321 V322 A330 I333 A334 I337 V353A314-V318 VanDerWaalsContact O-CG2 3.29Å; A314-V318 WeakPolarHBondContact O-CG2 3.29Å; A314-V318 PolarHBondContact O-N 3.1Å; I315-V318 PolarHBondContact O-N 3.43Å; V318-R320 PolarHBondContact O-N 3.37Å; V318-L321 PolarHBondContact O-N 3.08Å; V318-V322 HydrophobicContact CG1-CG2 4.42Å; V318-V322 WeakPolarHBondContact O-CB 3.5Å; V318-V322 VanDerWaalsContact O-CG2 3.24Å; V318-V322 WeakPolarHBondContact O-CG2 3.16Å; V318-V322 PolarHBondContact O-N 2.75Å; V318-A330 HydrophobicContact CG1-CB 4.43Å; V318-I333 HydrophobicContact CG2-CB 4.14Å; V318-I333 HydrophobicContact CG2-CG2 3.69Å; V318-A334 HydrophobicContact CG2-CB 4.37Å; V318-I337 HydrophobicContact CG2-CD1 4.36Å; V318-V353 HydrophobicContact CG1-CG2 3.68Å
319Q84.6Confident80.6Confident110 Ų11061.8 Ų61.851%0.51431%0.313SS..Hα-helixtrans-63.8-40.7177.6-71.6177.30.500112.6I315 E316 N317 V322 K323I315-Q319 WeakPolarHBondContact O-CG 3.46Å; I315-Q319 PolarHBondContact O-N 3.3Å; E316-Q319 PolarHBondContact O-N 3.44Å; N317-Q319 VanDerWaalsContact C-N 3.34Å; N317-Q319 PolarHBondContact O-N 3.46Å; Q319-V322 PolarHBondContact O-N 3.05Å; Q319-K323 VanDerWaalsContact O-CG 3.32Å; Q319-K323 WeakPolarHBondContact O-CG 3.29Å; Q319-K323 PolarHBondContact O-N 3.32Å
320R85.5Confident81.1Confident85 Ų8559.7 Ų59.732%0.32130%0.301SS..Hα-helixtrans-62.8-47.2175.2-177.2179.966173.78.3110.9I273 E316 N317 V318 V322 K323 E324I273-R320 PolarHBondContact O-NH2 3.24Å; E316-R320 VanDerWaalsContact O-CB 3.31Å; E316-R320 WeakPolarHBondContact O-CB 3.21Å; E316-R320 PolarHBondContact O-N 3.5Å; N317-R320 PolarHBondContact O-N 2.97Å; V318-R320 PolarHBondContact O-N 3.37Å; R320-V322 VanDerWaalsContact C-N 3.34Å; R320-V322 PolarHBondContact O-N 3.39Å; R320-K323 WeakPolarHBondContact O-CB 3.25Å; R320-K323 PolarHBondContact O-N 3.2Å; R320-K323 VanDerWaalsContact O-N 3.12Å; R320-E324 WeakPolarHBondContact CG-OE1 3.27Å; R320-E324 WeakPolarHBondContact O-CG 3.18Å; R320-E324 PolarHBondContact O-N 3.09Å
321L84.9Confident81.6Confident0 Ų059.2 Ų59.20%030%0.296CS..Hα-helixtrans-64.3-38.5178.8-70.9170000112.4F271 N317 V318 K323 E324 K325 Q326 L329 A330 I333F271-L321 HydrophobicContact CE1-CD2 4.24Å; N317-L321 WeakPolarHBondContact O-CB 3.02Å; N317-L321 WeakPolarHBondContact O-CG 3.19Å; N317-L321 PolarHBondContact O-N 3.44Å; V318-L321 PolarHBondContact O-N 3.08Å; L321-K323 VanDerWaalsContact C-N 3.35Å; L321-E324 CarbonylContact O-C 3.58Å; L321-E324 PolarHBondContact O-N 2.93Å; L321-K325 PolarHBondContact O-N 3.1Å; L321-Q326 HydrophobicContact CB-CB 4.37Å; L321-Q326 HydrophobicContact CD2-CB 3.91Å; L321-Q326 PolarHBondContact O-N 3.04Å; L321-L329 HydrophobicContact CD1-CB 4.28Å; L321-L329 HydrophobicContact CD1-CD2 3.88Å; L321-L329 HydrophobicContact CD1-CG 3.72Å; L321-L329 HydrophobicContact CD2-CD2 3.7Å; L321-L329 HydrophobicContact CD2-CG 4.33Å; L321-L329 HydrophobicContact CG-CD2 4.46Å; L321-A330 HydrophobicContact CB-CB 3.88Å; L321-I333 HydrophobicContact CD1-CD1 3.47Å; L321-I333 VanDerWaalsContact CD1-CD1 3.47Å
322V85.7Confident82.1Confident28 Ų2858.3 Ų58.317%0.1729%0.29CS..Hα-helixtrans-62.4-42172.4167.40000111V318 Q319 R320 E324 K325 Y327 A330 V353 L356V318-V322 HydrophobicContact CG1-CG2 4.42Å; V318-V322 WeakPolarHBondContact O-CB 3.5Å; V318-V322 VanDerWaalsContact O-CG2 3.24Å; V318-V322 WeakPolarHBondContact O-CG2 3.16Å; V318-V322 PolarHBondContact O-N 2.75Å; Q319-V322 PolarHBondContact O-N 3.05Å; R320-V322 VanDerWaalsContact C-N 3.34Å; R320-V322 PolarHBondContact O-N 3.39Å; V322-E324 VanDerWaalsContact C-N 3.34Å; V322-K325 PolarHBondContact O-N 2.87Å; V322-K325 VanDerWaalsContact O-N 3.13Å; V322-Y327 HydrophobicContact CG1-CE1 4.04Å; V322-Y327 HydrophobicContact CG2-CD1 4.44Å; V322-Y327 HydrophobicContact CG2-CE1 4.42Å; V322-A330 HydrophobicContact CG2-CB 4.02Å; V322-V353 HydrophobicContact CG2-CG1 4.13Å; V322-V353 HydrophobicContact CG2-CG2 4.33Å; V322-L356 HydrophobicContact CG1-CD1 3.73Å
323K86.2Confident82.7Confident173 Ų17354.6 Ų54.675%0.75226%0.259SS*.Hα-helixtrans-63.8-38.2174.6-73.6174.8-176.9179.20112.4Q319 R320 L321 K325Q319-K323 VanDerWaalsContact O-CG 3.32Å; Q319-K323 WeakPolarHBondContact O-CG 3.29Å; Q319-K323 PolarHBondContact O-N 3.32Å; R320-K323 WeakPolarHBondContact O-CB 3.25Å; R320-K323 PolarHBondContact O-N 3.2Å; R320-K323 VanDerWaalsContact O-N 3.12Å; L321-K323 VanDerWaalsContact C-N 3.35Å; K323-K325 PolarHBondContact O-N 2.74Å
324E85.9Confident83.1Confident93 Ų9353.9 Ų53.944%0.43525%0.25SS..THydrogen-bonded Turntrans-77.50.2175.6-69.7173.8-170.400113.3R320 L321 V322 Q326R320-E324 WeakPolarHBondContact CG-OE1 3.27Å; R320-E324 WeakPolarHBondContact O-CG 3.18Å; R320-E324 PolarHBondContact O-N 3.09Å; L321-E324 CarbonylContact O-C 3.58Å; L321-E324 PolarHBondContact O-N 2.93Å; V322-E324 VanDerWaalsContact C-N 3.34Å; E324-Q326 HydrophobicContact CB-CG 4.23Å; E324-Q326 PolarHBondContact O-N 3.1Å
325K82.7Confident83.4Confident130 Ų13057.7 Ų57.757%0.56527%0.268SS*.THydrogen-bonded Turntrans61.323-177.3-55.8178.9179.3179.30114.2L321 V322 K323 Y327L321-K325 PolarHBondContact O-N 3.1Å; V322-K325 PolarHBondContact O-N 2.87Å; V322-K325 VanDerWaalsContact O-N 3.13Å; K323-K325 PolarHBondContact O-N 2.74Å; K325-Y327 VanDerWaalsContact C-N 3.3Å; K325-Y327 HydrophobicContact CB-CD2 4.43Å; K325-Y327 HydrophobicContact CB-CE2 3.85Å; K325-Y327 HydrophobicContact CG-CE2 4.28Å; K325-Y327 VanDerWaalsContact O-CD2 3.31Å; K325-Y327 WeakPolarHBondContact O-CD2 3.33Å; K325-Y327 PolarHBondContact O-N 3.3Å
326Q84.4Confident83.2Confident71 Ų7155 Ų5533%0.33226%0.255SS..  trans-89.765.2175-63.7-61-18.300110.5L321 E324 A330L321-Q326 HydrophobicContact CB-CB 4.37Å; L321-Q326 HydrophobicContact CD2-CB 3.91Å; L321-Q326 PolarHBondContact O-N 3.04Å; E324-Q326 HydrophobicContact CB-CG 4.23Å; E324-Q326 PolarHBondContact O-N 3.1Å; Q326-A330 WeakPolarHBondContact O-CB 3.22Å; Q326-A330 PolarHBondContact O-N 3.03Å; Q326-A330 VanDerWaalsContact O-N 3.09Å
327Y85.1Confident82.8Confident29 Ų2949.6 Ų49.611%0.11423%0.23CC..Hα-helixtrans-68.3-37.5-171.9-65.9-77.2000113.9V322 K325 L329 A330 V331 L356 Y357 H360V322-Y327 HydrophobicContact CG1-CE1 4.04Å; V322-Y327 HydrophobicContact CG2-CD1 4.44Å; V322-Y327 HydrophobicContact CG2-CE1 4.42Å; K325-Y327 VanDerWaalsContact C-N 3.3Å; K325-Y327 HydrophobicContact CB-CD2 4.43Å; K325-Y327 HydrophobicContact CB-CE2 3.85Å; K325-Y327 HydrophobicContact CG-CE2 4.28Å; K325-Y327 VanDerWaalsContact O-CD2 3.31Å; K325-Y327 WeakPolarHBondContact O-CD2 3.33Å; K325-Y327 PolarHBondContact O-N 3.3Å; Y327-L329 VanDerWaalsContact C-N 3.34Å; Y327-L329 PolarHBondContact O-N 2.87Å; Y327-A330 WeakPolarHBondContact O-CB 3.45Å; Y327-A330 PolarHBondContact O-N 3.35Å; Y327-A330 VanDerWaalsContact O-N 3.16Å; Y327-V331 WeakPolarHBondContact O-CG2 3.2Å; Y327-V331 PolarHBondContact O-N 3.31Å; Y327-L356 HydrophobicContact CD1-CB 4.21Å; Y327-L356 HydrophobicContact CE1-CB 3.61Å; Y327-Y357 HydrophobicContact CD2-CD2 4.21Å; Y327-Y357 AromaticContact CG-CD2 3.91Å; Y327-Y357 HydrophobicContact CG-CD2 3.91Å; Y327-Y357 HydrophobicContact CG-CG 4.3Å; Y327-H360 HydrophobicContact CD2-CB 3.78Å; Y327-H360 AromaticContact CD2-CG 3.69Å; Y327-H360 AromaticContact CD2-ND1 3.7Å; Y327-H360 HydrophobicContact CE2-CB 3.36Å; Y327-H360 AromaticContact CE2-CD2 3.67Å; Y327-H360 AromaticContact CE2-CG 3.31Å; Y327-H360 AromaticContact CE2-ND1 3.78Å
328E83.9Confident82.2Confident83 Ų8349.5 Ų49.539%0.38823%0.233SC..Hα-helixtrans-57.9-47.8179.4-67.5179-168.400111.3V331 Q332 Y357E328-V331 PolarHBondContact O-N 3.4Å; E328-Q332 WeakPolarHBondContact O-CG 3.43Å; E328-Q332 PolarHBondContact O-N 3.23Å; E328-Q332 VanDerWaalsContact O-N 3.11Å; E328-Y357 HydrophobicContact CG-CE1 4.34Å; E328-Y357 HydrophobicContact CG-CE2 4.19Å; E328-Y357 WeakPolarHBondContact CG-OH 3.25Å; E328-Y357 PolarHBondContact OE1-OH 2.67Å
329L82.9Confident81.4Confident1 Ų153.3 Ų53.31%0.00526%0.26CS..Hα-helixtrans-67.3-39.7176.2-176.659.8000111.6V252 S266 F271 I273 L321 Y327 V331 Q332 I333V252-L329 HydrophobicContact CG1-CD1 3.51Å; S266-L329 VanDerWaalsContact CB-CD1 3.49Å; F271-L329 HydrophobicContact CB-CD2 4.44Å; F271-L329 HydrophobicContact CD1-CD2 3.93Å; I273-L329 HydrophobicContact CD1-CD1 4.48Å; I273-L329 HydrophobicContact CD1-CD2 4.06Å; I273-L329 HydrophobicContact CG1-CD2 4.03Å; L321-L329 HydrophobicContact CD1-CB 4.28Å; L321-L329 HydrophobicContact CD1-CD2 3.88Å; L321-L329 HydrophobicContact CD1-CG 3.72Å; L321-L329 HydrophobicContact CD2-CD2 3.7Å; L321-L329 HydrophobicContact CD2-CG 4.33Å; L321-L329 HydrophobicContact CG-CD2 4.46Å; Y327-L329 VanDerWaalsContact C-N 3.34Å; Y327-L329 PolarHBondContact O-N 2.87Å; L329-V331 VanDerWaalsContact C-N 3.3Å; L329-V331 PolarHBondContact O-N 2.99Å; L329-Q332 PolarHBondContact O-N 3.33Å; L329-I333 HydrophobicContact CD1-CD1 4.06Å; L329-I333 HydrophobicContact CD1-CG1 4.21Å; L329-I333 HydrophobicContact CG-CD1 3.94Å; L329-I333 HydrophobicContact CG-CG1 4.46Å; L329-I333 WeakPolarHBondContact O-CG1 3.29Å; L329-I333 PolarHBondContact O-N 2.91Å
330A85.6Confident80.1Confident0 Ų049.5 Ų49.50%025%0.251CS..Hα-helixtrans-60.2-40177.100000112V318 L321 V322 Q326 Y327 A334 V353V318-A330 HydrophobicContact CG1-CB 4.43Å; L321-A330 HydrophobicContact CB-CB 3.88Å; V322-A330 HydrophobicContact CG2-CB 4.02Å; Q326-A330 WeakPolarHBondContact O-CB 3.22Å; Q326-A330 PolarHBondContact O-N 3.03Å; Q326-A330 VanDerWaalsContact O-N 3.09Å; Y327-A330 WeakPolarHBondContact O-CB 3.45Å; Y327-A330 PolarHBondContact O-N 3.35Å; Y327-A330 VanDerWaalsContact O-N 3.16Å; A330-A334 VanDerWaalsContact O-CB 3.22Å; A330-A334 WeakPolarHBondContact O-CB 3.27Å; A330-A334 PolarHBondContact O-N 3.08Å; A330-V353 HydrophobicContact CB-CG1 3.77Å
331V84.1Confident78.3Confident13 Ų1354.8 Ų54.88%0.07928%0.279CS..Hα-helixtrans-66.3-48.9175.7172.90000110.7Y327 E328 L329 I333 A334 E335 V353 K354Y327-V331 WeakPolarHBondContact O-CG2 3.2Å; Y327-V331 PolarHBondContact O-N 3.31Å; E328-V331 PolarHBondContact O-N 3.4Å; L329-V331 VanDerWaalsContact C-N 3.3Å; L329-V331 PolarHBondContact O-N 2.99Å; V331-I333 VanDerWaalsContact C-N 3.31Å; V331-I333 PolarHBondContact O-N 2.99Å; V331-A334 CarbonylContact O-C 3.58Å; V331-A334 PolarHBondContact O-N 3.36Å; V331-A334 VanDerWaalsContact O-N 3.09Å; V331-E335 HydrophobicContact CG1-CG 4.19Å; V331-E335 WeakPolarHBondContact O-CB 3.5Å; V331-E335 WeakPolarHBondContact O-CG 3.13Å; V331-E335 PolarHBondContact O-N 2.94Å; V331-V353 HydrophobicContact CG2-CB 4.47Å; V331-V353 HydrophobicContact CG2-CG1 3.69Å; V331-K354 HydrophobicContact CG1-CD 4.44Å; V331-K354 HydrophobicContact CG1-CG 3.98Å; V331-K354 HydrophobicContact CG2-CG 3.82Å
332Q82.2Confident76.8Confident44 Ų4457 Ų5721%0.20630%0.302CS..Hα-helixtrans-58.8-42.8179.6-71.7178.722.600112.3V252 K268 E328 L329 T336V252-Q332 HydrophobicContact CG1-CB 4.13Å; V252-Q332 HydrophobicContact CG2-CB 4.03Å; K268-Q332 PolarHBondContact O-NE2 2.88Å; K268-Q332 PolarHBondContact O-OE1 3.44Å; E328-Q332 WeakPolarHBondContact O-CG 3.43Å; E328-Q332 PolarHBondContact O-N 3.23Å; E328-Q332 VanDerWaalsContact O-N 3.11Å; L329-Q332 PolarHBondContact O-N 3.33Å; Q332-T336 WeakPolarHBondContact O-CB 3.48Å; Q332-T336 PolarHBondContact O-N 3.11Å; Q332-T336 PolarHBondContact O-OG1 2.96Å
333I80.8Confident75.6Confident2 Ų258.9 Ų58.91%0.0132%0.317CS..Hα-helixtrans-65.6-44.6175.3-66.2174.6000110.1V252 Y253 V318 L321 L329 V331 E335 T336 I337V252-I333 HydrophobicContact CB-CG1 4.42Å; V252-I333 HydrophobicContact CG1-CG1 3.99Å; Y253-I333 HydrophobicContact CE1-CD1 4.14Å; Y253-I333 HydrophobicContact CE1-CG1 4.49Å; V318-I333 HydrophobicContact CG2-CB 4.14Å; V318-I333 HydrophobicContact CG2-CG2 3.69Å; L321-I333 HydrophobicContact CD1-CD1 3.47Å; L321-I333 VanDerWaalsContact CD1-CD1 3.47Å; L329-I333 HydrophobicContact CD1-CD1 4.06Å; L329-I333 HydrophobicContact CD1-CG1 4.21Å; L329-I333 HydrophobicContact CG-CD1 3.94Å; L329-I333 HydrophobicContact CG-CG1 4.46Å; L329-I333 WeakPolarHBondContact O-CG1 3.29Å; L329-I333 PolarHBondContact O-N 2.91Å; V331-I333 VanDerWaalsContact C-N 3.31Å; V331-I333 PolarHBondContact O-N 2.99Å; I333-E335 PolarHBondContact O-N 2.83Å; I333-T336 PolarHBondContact O-N 3.04Å; I333-I337 HydrophobicContact CG2-CD1 4.01Å; I333-I337 WeakPolarHBondContact O-CD1 3.36Å; I333-I337 VanDerWaalsContact O-CG1 3.23Å; I333-I337 WeakPolarHBondContact O-CG1 3.27Å; I333-I337 PolarHBondContact O-N 3.12Å
334A81.7Confident74.5Confident7 Ų752.8 Ų52.86%0.05830%0.302CS..Hα-helixtrans-61.3-40.6178.100000112.9V318 A330 V331 I337 A338 V350V318-A334 HydrophobicContact CG2-CB 4.37Å; A330-A334 VanDerWaalsContact O-CB 3.22Å; A330-A334 WeakPolarHBondContact O-CB 3.27Å; A330-A334 PolarHBondContact O-N 3.08Å; V331-A334 CarbonylContact O-C 3.58Å; V331-A334 PolarHBondContact O-N 3.36Å; V331-A334 VanDerWaalsContact O-N 3.09Å; A334-I337 PolarHBondContact O-N 2.74Å; A334-A338 WeakPolarHBondContact O-CB 3.47Å; A334-A338 PolarHBondContact O-N 3.22Å; A334-V350 HydrophobicContact CB-CG2 3.83Å
335E80.8Confident73.7Confident83 Ų8353.3 Ų53.339%0.38831%0.309SS..Hα-helixtrans-66.9-40.2176.3-73.6176.6165.900111.7V331 I333 I337 A338 S339 V350 K354V331-E335 HydrophobicContact CG1-CG 4.19Å; V331-E335 WeakPolarHBondContact O-CB 3.5Å; V331-E335 WeakPolarHBondContact O-CG 3.13Å; V331-E335 PolarHBondContact O-N 2.94Å; I333-E335 PolarHBondContact O-N 2.83Å; E335-I337 VanDerWaalsContact C-N 3.29Å; E335-I337 PolarHBondContact O-N 2.89Å; E335-A338 PolarHBondContact O-N 2.77Å; E335-A338 VanDerWaalsContact O-N 3.07Å; E335-S339 PolarHBondContact O-N 2.95Å; E335-S339 VanDerWaalsContact O-N 3.08Å; E335-V350 HydrophobicContact CG-CG1 3.92Å; E335-V350 HydrophobicContact CG-CG2 4.29Å; E335-K354 WeakPolarHBondContact OE1-CE 3.3Å; E335-K354 IonicContact OE1-NZ 2.77Å; E335-K354 PolarHBondContact OE1-NZ 2.82Å
336T74.7Confident73.2Confident23 Ų2350.7 Ų50.714%0.14130%0.295CS..Hα-helixtrans-62.5-36.3175.4-60.80000112.2N251 V252 C289 Q332 I333 S339N251-T336 HydrophobicContact CB-CG2 4.36Å; N251-T336 WeakPolarHBondContact ND2-CG2 3.49Å; N251-T336 PolarHBondContact ND2-OG1 3.2Å; V252-T336 WeakPolarHBondContact CG2-OG1 3.42Å; C289-T336 VanDerWaalsContact SG-CG2 3.58Å; Q332-T336 WeakPolarHBondContact O-CB 3.48Å; Q332-T336 PolarHBondContact O-N 3.11Å; Q332-T336 PolarHBondContact O-OG1 2.96Å; I333-T336 PolarHBondContact O-N 3.04Å; T336-S339 PolarHBondContact O-OG 3.26Å
337I73.9Confident72.7Confident25 Ų2555 Ų5513%0.12831%0.308CS..Hα-helixtrans-70.8-39173.5-59.5158.4000110.1A314 V318 I333 A334 E335 S339 G340 R346A314-I337 HydrophobicContact CB-CD1 3.34Å; A314-I337 HydrophobicContact CB-CG1 3.77Å; V318-I337 HydrophobicContact CG2-CD1 4.36Å; I333-I337 HydrophobicContact CG2-CD1 4.01Å; I333-I337 WeakPolarHBondContact O-CD1 3.36Å; I333-I337 VanDerWaalsContact O-CG1 3.23Å; I333-I337 WeakPolarHBondContact O-CG1 3.27Å; I333-I337 PolarHBondContact O-N 3.12Å; A334-I337 PolarHBondContact O-N 2.74Å; E335-I337 VanDerWaalsContact C-N 3.29Å; E335-I337 PolarHBondContact O-N 2.89Å; I337-S339 VanDerWaalsContact C-N 3.31Å; I337-S339 PolarHBondContact O-N 2.59Å; I337-G340 PolarHBondContact O-N 3.28Å; I337-R346 WeakPolarHBondContact O-CD 3.37Å; I337-R346 PolarHBondContact O-NH1 3.03Å
338A69Low72.5Confident23 Ų2358.8 Ų58.819%0.1933%0.325CS..Hα-helixtrans-69.2-23.4-175.900000114.3A334 E335 G340 R346 V350A334-A338 WeakPolarHBondContact O-CB 3.47Å; A334-A338 PolarHBondContact O-N 3.22Å; E335-A338 PolarHBondContact O-N 2.77Å; E335-A338 VanDerWaalsContact O-N 3.07Å; A338-G340 PolarHBondContact O-N 3.16Å; A338-R346 HydrophobicContact CB-CB 3.9Å; A338-V350 HydrophobicContact CB-CG2 3.99Å
339S65Low72.3Confident96 Ų9659.3 Ų59.367%0.67132%0.324SS*.THydrogen-bonded Turntrans-70-16174.664.50000113.4E335 T336 I337E335-S339 PolarHBondContact O-N 2.95Å; E335-S339 VanDerWaalsContact O-N 3.08Å; T336-S339 PolarHBondContact O-OG 3.26Å; I337-S339 VanDerWaalsContact C-N 3.31Å; I337-S339 PolarHBondContact O-N 2.59Å
340G57.2Low72.3Confident31 Ų3160 Ų6032%0.3233%0.328SS..SBendtrans-74.7145.6170.100000112.9I337 A338 G342 R346I337-G340 PolarHBondContact O-N 3.28Å; A338-G340 PolarHBondContact O-N 3.16Å; G340-G342 PolarHBondContact O-N 3.48Å; G340-R346 PolarHBondContact O-NH1 3.33Å
341Q48.1Very low72.2Confident196 Ų19666 Ų6692%0.91635%0.35SS*.SBendtrans-53.2124.9-178.8-63.4-167.6-100111.8
342G53.5Low72.3Confident47 Ų4770 Ų7049%0.48537%0.372SS..  trans129.868.4-175.600000112.9G340 R346G340-G342 PolarHBondContact O-N 3.48Å; G342-R346 VanDerWaalsContact O-CD 3.31Å; G342-R346 WeakPolarHBondContact O-CD 3.45Å; G342-R346 WeakPolarHBondContact O-CG 3.47Å
343S60.3Low72.4Confident67 Ų6768.4 Ų68.447%0.46937%0.365SS..Hα-helixtrans-83.8-17.8-153.660.50000117.5R347S343-R347 WeakPolarHBondContact O-CB 3.41Å; S343-R347 VanDerWaalsContact O-CD 3.26Å; S343-R347 WeakPolarHBondContact O-CD 3.45Å; S343-R347 WeakPolarHBondContact O-CG 3.2Å
344G63.7Low72.8Confident44 Ų4469.4 Ų69.445%0.45437%0.369SS..Hα-helixtrans-74.6-67-171.300000114.3R346 R347 K348G344-R346 VanDerWaalsContact C-N 3.31Å; G344-R346 PolarHBondContact O-N 3.4Å; G344-R347 PolarHBondContact O-N 3Å; G344-K348 PolarHBondContact O-N 3.15Å
345D69Low73Confident105 Ų10571.7 Ų71.756%0.56138%0.378SS*.Hα-helixtrans-72.4-25.6-173.4-70.6-22.6000113.4K348 R349D345-K348 PolarHBondContact O-N 2.96Å; D345-K348 IonicContact OD1-NZ 2.61Å; D345-R349 PolarHBondContact O-N 2.85Å; D345-R349 VanDerWaalsContact O-N 3.1Å; D345-R349 PolarHBondContact O-NE 3.21Å
346R70.8Confident73.3Confident74 Ų7470.1 Ų70.128%0.27937%0.372SS..Hα-helixtrans-68.4-42.1175.3-59.1-177.6-173-167.36.5110.9I337 A338 G340 G342 G344 R349 V350I337-R346 WeakPolarHBondContact O-CD 3.37Å; I337-R346 PolarHBondContact O-NH1 3.03Å; A338-R346 HydrophobicContact CB-CB 3.9Å; G340-R346 PolarHBondContact O-NH1 3.33Å; G342-R346 VanDerWaalsContact O-CD 3.31Å; G342-R346 WeakPolarHBondContact O-CD 3.45Å; G342-R346 WeakPolarHBondContact O-CG 3.47Å; G344-R346 VanDerWaalsContact C-N 3.31Å; G344-R346 PolarHBondContact O-N 3.4Å; R346-R349 PolarHBondContact O-N 3.46Å; R346-V350 WeakPolarHBondContact O-CG2 3.31Å; R346-V350 PolarHBondContact O-N 2.87Å
347R75.4Confident74Confident162 Ų16270.5 Ų70.561%0.61137%0.371SS*.Hα-helixtrans-67-35.1175.2-74.5178-173.8172.60.7112.8S343 G344 R351S343-R347 WeakPolarHBondContact O-CB 3.41Å; S343-R347 VanDerWaalsContact O-CD 3.26Å; S343-R347 WeakPolarHBondContact O-CD 3.45Å; S343-R347 WeakPolarHBondContact O-CG 3.2Å; G344-R347 PolarHBondContact O-N 3Å; R347-R351 WeakPolarHBondContact O-CG 3.2Å; R347-R351 PolarHBondContact O-N 3.17Å; R347-R351 VanDerWaalsContact O-N 3.07Å
348K79.9Confident74.7Confident109 Ų10969.3 Ų69.347%0.47437%0.365SS..Hα-helixtrans-60.2-49.7171.9-71.5179.1-177.5172.20110.6G344 D345 V350 R351 D352G344-K348 PolarHBondContact O-N 3.15Å; D345-K348 PolarHBondContact O-N 2.96Å; D345-K348 IonicContact OD1-NZ 2.61Å; K348-V350 PolarHBondContact O-N 3.33Å; K348-R351 CarbonylContact O-C 3.58Å; K348-R351 WeakPolarHBondContact O-CA 3.3Å; K348-R351 WeakPolarHBondContact O-CB 3.43Å; K348-R351 PolarHBondContact O-N 3.41Å; K348-D352 PolarHBondContact O-N 3.4Å
349R80.2Confident75.5Confident94 Ų9469 Ų6936%0.35536%0.359SS..Hα-helixtrans-57.6-43.4176.6-77.5-178.7-98.3168.2-15.5113.5I315 D345 R346 R351 D352 V353I315-R349 VanDerWaalsContact CG1-NH1 3.34Å; D345-R349 PolarHBondContact O-N 2.85Å; D345-R349 VanDerWaalsContact O-N 3.1Å; D345-R349 PolarHBondContact O-NE 3.21Å; R346-R349 PolarHBondContact O-N 3.46Å; R349-R351 VanDerWaalsContact C-N 3.31Å; R349-R351 PolarHBondContact O-N 3.5Å; R349-D352 PolarHBondContact O-N 3.24Å; R349-V353 VanDerWaalsContact O-CG2 3.29Å; R349-V353 WeakPolarHBondContact O-CG2 3.43Å; R349-V353 PolarHBondContact O-N 3.42Å
350V82.8Confident76.6Confident15 Ų1566.1 Ų66.19%0.09134%0.335CS..Hα-helixtrans-59-45.3174.8174.80000110.6A334 E335 A338 R346 K348 V353 K354A334-V350 HydrophobicContact CB-CG2 3.83Å; E335-V350 HydrophobicContact CG-CG1 3.92Å; E335-V350 HydrophobicContact CG-CG2 4.29Å; A338-V350 HydrophobicContact CB-CG2 3.99Å; R346-V350 WeakPolarHBondContact O-CG2 3.31Å; R346-V350 PolarHBondContact O-N 2.87Å; K348-V350 PolarHBondContact O-N 3.33Å; V350-V353 PolarHBondContact O-N 3.45Å; V350-K354 HydrophobicContact CG1-CD 4.19Å; V350-K354 HydrophobicContact CG1-CG 4.36Å; V350-K354 WeakPolarHBondContact O-CB 3.34Å; V350-K354 WeakPolarHBondContact O-CG 3.48Å; V350-K354 PolarHBondContact O-N 3.12Å
351R83.9Confident78Confident125 Ų12564.8 Ų64.847%0.47232%0.321SS..Hα-helixtrans-60.9-44.4175.9-74.8-172.1-74.9164.5-4.9112.2R347 K348 R349 V353 K354 F355 I377R347-R351 WeakPolarHBondContact O-CG 3.2Å; R347-R351 PolarHBondContact O-N 3.17Å; R347-R351 VanDerWaalsContact O-N 3.07Å; K348-R351 CarbonylContact O-C 3.58Å; K348-R351 WeakPolarHBondContact O-CA 3.3Å; K348-R351 WeakPolarHBondContact O-CB 3.43Å; K348-R351 PolarHBondContact O-N 3.41Å; R349-R351 VanDerWaalsContact C-N 3.31Å; R349-R351 PolarHBondContact O-N 3.5Å; R351-V353 PolarHBondContact O-N 3.39Å; R351-K354 PolarHBondContact O-N 3.41Å; R351-F355 VanDerWaalsContact O-CB 3.24Å; R351-F355 WeakPolarHBondContact O-CB 3.34Å; R351-F355 PolarHBondContact O-N 2.81Å; R351-I377 HydrophobicContact CB-CG2 4.11Å; R351-I377 HydrophobicContact CG-CG2 4.02Å
352D84.8Confident79.8Confident99 Ų9955.5 Ų55.553%0.52928%0.277SS..Hα-helixtrans-63.2-42.6179.7-58.1-27.8000111.5K348 R349 F355 L356K348-D352 PolarHBondContact O-N 3.4Å; R349-D352 PolarHBondContact O-N 3.24Å; D352-F355 WeakPolarHBondContact O-CB 3.35Å; D352-F355 PolarHBondContact O-N 2.93Å; D352-L356 WeakPolarHBondContact O-CG 3.27Å; D352-L356 PolarHBondContact O-N 3.35Å
353V85.7Confident81.2Confident10 Ų1055.6 Ų55.66%0.06127%0.27CS..Hα-helixtrans-67.2-44.2176.7179.10000111V318 V322 A330 V331 R349 V350 R351 F355 L356 Y357V318-V353 HydrophobicContact CG1-CG2 3.68Å; V322-V353 HydrophobicContact CG2-CG1 4.13Å; V322-V353 HydrophobicContact CG2-CG2 4.33Å; A330-V353 HydrophobicContact CB-CG1 3.77Å; V331-V353 HydrophobicContact CG2-CB 4.47Å; V331-V353 HydrophobicContact CG2-CG1 3.69Å; R349-V353 VanDerWaalsContact O-CG2 3.29Å; R349-V353 WeakPolarHBondContact O-CG2 3.43Å; R349-V353 PolarHBondContact O-N 3.42Å; V350-V353 PolarHBondContact O-N 3.45Å; R351-V353 PolarHBondContact O-N 3.39Å; V353-F355 VanDerWaalsContact C-N 3.26Å; V353-F355 PolarHBondContact O-N 3.28Å; V353-L356 PolarHBondContact O-N 3.27Å; V353-Y357 WeakPolarHBondContact O-CB 3.47Å; V353-Y357 PolarHBondContact O-N 3.2Å
354K87.7Confident82.4Confident22 Ų2258.9 Ų58.910%0.09628%0.276CS..Hα-helixtrans-63.2-34.1175.4-71.8-171.6172.8-173.50111.6V331 E335 V350 R351 Y357 A358 I373 E376 I377V331-K354 HydrophobicContact CG1-CD 4.44Å; V331-K354 HydrophobicContact CG1-CG 3.98Å; V331-K354 HydrophobicContact CG2-CG 3.82Å; E335-K354 WeakPolarHBondContact OE1-CE 3.3Å; E335-K354 IonicContact OE1-NZ 2.77Å; E335-K354 PolarHBondContact OE1-NZ 2.82Å; V350-K354 HydrophobicContact CG1-CD 4.19Å; V350-K354 HydrophobicContact CG1-CG 4.36Å; V350-K354 WeakPolarHBondContact O-CB 3.34Å; V350-K354 WeakPolarHBondContact O-CG 3.48Å; V350-K354 PolarHBondContact O-N 3.12Å; R351-K354 PolarHBondContact O-N 3.41Å; K354-Y357 WeakPolarHBondContact O-CB 3.4Å; K354-Y357 PolarHBondContact O-N 3.22Å; K354-A358 WeakPolarHBondContact O-CB 3.28Å; K354-A358 PolarHBondContact O-N 2.83Å; K354-I373 HydrophobicContact CB-CG2 4.03Å; K354-E376 VanDerWaalsContact NZ-CD 3.31Å; K354-E376 IonicContact NZ-OE1 3.06Å; K354-E376 PolarHBondContact NZ-OE1 3.49Å; K354-E376 IonicContact NZ-OE2 2.72Å; K354-E376 PolarHBondContact NZ-OE2 2.96Å; K354-I377 VanDerWaalsContact C-CD1 3.48Å; K354-I377 HydrophobicContact CB-CD1 3.41Å; K354-I377 VanDerWaalsContact CB-CD1 3.41Å; K354-I377 HydrophobicContact CB-CG1 3.85Å; K354-I377 HydrophobicContact CD-CG1 4.35Å
355F86.5Confident83.4Confident56 Ų5663.1 Ų63.125%0.24628%0.279CS..Hα-helixtrans-65.6-44.1176.5-173.9-91.8000112R351 D352 V353 Y357 F359 Y374 I377 Y383R351-F355 VanDerWaalsContact O-CB 3.24Å; R351-F355 WeakPolarHBondContact O-CB 3.34Å; R351-F355 PolarHBondContact O-N 2.81Å; D352-F355 WeakPolarHBondContact O-CB 3.35Å; D352-F355 PolarHBondContact O-N 2.93Å; V353-F355 VanDerWaalsContact C-N 3.26Å; V353-F355 PolarHBondContact O-N 3.28Å; F355-Y357 VanDerWaalsContact C-N 3.31Å; F355-F359 PolarHBondContact O-N 2.98Å; F355-F359 VanDerWaalsContact O-N 3.09Å; F355-Y374 HydrophobicContact CD2-CD1 4.41Å; F355-Y374 AromaticContact CD2-CE1 3.91Å; F355-Y374 HydrophobicContact CD2-CE1 3.91Å; F355-Y374 HydrophobicContact CE2-CE1 4.12Å; F355-Y374 HydrophobicContact CG-CE1 4.48Å; F355-I377 HydrophobicContact CB-CD1 4.3Å; F355-Y383 AromaticContact CE1-CE1 3.91Å; F355-Y383 HydrophobicContact CE1-CE1 3.91Å; F355-Y383 AromaticContact CE1-CE2 3.86Å; F355-Y383 HydrophobicContact CE1-CE2 3.86Å; F355-Y383 AromaticContact CE1-CZ 3.4Å; F355-Y383 WeakPolarHBondContact CE1-OH 3.46Å; F355-Y383 AromaticContact CE2-CD1 3.7Å; F355-Y383 HydrophobicContact CE2-CD1 3.7Å; F355-Y383 HydrophobicContact CE2-CD2 4.42Å; F355-Y383 AromaticContact CE2-CE1 3.54Å; F355-Y383 HydrophobicContact CE2-CE1 3.54Å; F355-Y383 HydrophobicContact CE2-CE2 4.31Å; F355-Y383 HydrophobicContact CE2-CG 4.15Å; F355-Y383 AromaticContact CE2-CZ 3.86Å; F355-Y383 AromaticContact CZ-CD1 3.66Å; F355-Y383 HydrophobicContact CZ-CD1 3.66Å; F355-Y383 AromaticContact CZ-CD2 3.73Å; F355-Y383 HydrophobicContact CZ-CD2 3.73Å; F355-Y383 AromaticContact CZ-CE1 3.21Å; F355-Y383 HydrophobicContact CZ-CE1 3.21Å; F355-Y383 AromaticContact CZ-CE2 3.3Å; F355-Y383 HydrophobicContact CZ-CE2 3.3Å; F355-Y383 AromaticContact CZ-CG 3.9Å; F355-Y383 HydrophobicContact CZ-CG 3.9Å; F355-Y383 AromaticContact CZ-CZ 3Å; F355-Y383 WeakPolarHBondContact CZ-OH 3.43Å
356L87.1Confident84.2Confident49 Ų4963.4 Ų63.426%0.25727%0.272SS..Hα-helixtrans-64.7-36.8172-65.6174.1000111.7V322 Y327 D352 V353 F359 H360 P403V322-L356 HydrophobicContact CG1-CD1 3.73Å; Y327-L356 HydrophobicContact CD1-CB 4.21Å; Y327-L356 HydrophobicContact CE1-CB 3.61Å; D352-L356 WeakPolarHBondContact O-CG 3.27Å; D352-L356 PolarHBondContact O-N 3.35Å; V353-L356 PolarHBondContact O-N 3.27Å; L356-F359 PolarHBondContact O-N 2.98Å; L356-H360 WeakPolarHBondContact O-CB 3.42Å; L356-H360 PolarHBondContact O-N 3.47Å; L356-P403 HydrophobicContact CD2-CB 3.45Å; L356-P403 VanDerWaalsContact CD2-CB 3.45Å; L356-P403 HydrophobicContact CD2-CG 3.8Å
357Y89.7Confident85Confident31 Ų3160.3 Ų60.312%0.12226%0.26CS..Hα-helixtrans-62.9-49.1176.7-177-149.8000111.8Y327 E328 V353 K354 F355 F359 H360 L361 I373Y327-Y357 HydrophobicContact CD2-CD2 4.21Å; Y327-Y357 AromaticContact CG-CD2 3.91Å; Y327-Y357 HydrophobicContact CG-CD2 3.91Å; Y327-Y357 HydrophobicContact CG-CG 4.3Å; E328-Y357 HydrophobicContact CG-CE1 4.34Å; E328-Y357 HydrophobicContact CG-CE2 4.19Å; E328-Y357 WeakPolarHBondContact CG-OH 3.25Å; E328-Y357 PolarHBondContact OE1-OH 2.67Å; V353-Y357 WeakPolarHBondContact O-CB 3.47Å; V353-Y357 PolarHBondContact O-N 3.2Å; K354-Y357 WeakPolarHBondContact O-CB 3.4Å; K354-Y357 PolarHBondContact O-N 3.22Å; F355-Y357 VanDerWaalsContact C-N 3.31Å; Y357-F359 VanDerWaalsContact C-N 3.3Å; Y357-F359 PolarHBondContact O-N 2.88Å; Y357-H360 WeakPolarHBondContact O-CB 3.44Å; Y357-H360 PolarHBondContact O-N 2.86Å; Y357-H360 VanDerWaalsContact O-N 3.12Å; Y357-L361 HydrophobicContact CD1-CD1 4.39Å; Y357-L361 HydrophobicContact CD2-CD1 4.07Å; Y357-L361 HydrophobicContact CD2-CG 3.91Å; Y357-L361 HydrophobicContact CE1-CD1 3.97Å; Y357-L361 HydrophobicContact CE2-CD1 3.64Å; Y357-L361 HydrophobicContact CE2-CD2 3.76Å; Y357-L361 HydrophobicContact CE2-CG 3.51Å; Y357-L361 HydrophobicContact CG-CD1 4.41Å; Y357-L361 WeakPolarHBondContact O-CG 3.38Å; Y357-L361 PolarHBondContact O-N 3.12Å; Y357-I373 HydrophobicContact CD1-CD1 3.44Å; Y357-I373 VanDerWaalsContact CD1-CD1 3.44Å; Y357-I373 HydrophobicContact CE1-CD1 3.43Å; Y357-I373 VanDerWaalsContact CE1-CD1 3.43Å; Y357-I373 HydrophobicContact CG-CD1 4.26Å
358A87.9Confident85.6Confident0 Ų056.9 Ų56.90%025%0.251CS..Hα-helixtrans-59.1-41.8176.500000111.5K354 H360 L361 F362 A370 I373 Y374K354-A358 WeakPolarHBondContact O-CB 3.28Å; K354-A358 PolarHBondContact O-N 2.83Å; A358-H360 VanDerWaalsContact C-N 3.34Å; A358-H360 PolarHBondContact O-N 3.5Å; A358-L361 PolarHBondContact O-N 2.95Å; A358-F362 WeakPolarHBondContact O-CB 3.39Å; A358-F362 PolarHBondContact O-N 3.33Å; A358-A370 WeakPolarHBondContact O-CB 3.32Å; A358-I373 HydrophobicContact CB-CB 4.07Å; A358-I373 HydrophobicContact CB-CG2 3.83Å; A358-Y374 HydrophobicContact CB-CD1 3.85Å; A358-Y374 HydrophobicContact CB-CD2 3.92Å; A358-Y374 HydrophobicContact CB-CE1 3.53Å; A358-Y374 HydrophobicContact CB-CE2 3.62Å; A358-Y374 HydrophobicContact CB-CG 4.03Å
359F87.2Confident86Confident16 Ų1655.2 Ų55.27%0.0725%0.245CC..Hα-helixtrans-64.1-39.1175.8-174.3-94.7000112.3F355 L356 Y357 F362 S363 Y374 L387 Y402 P403 G404 L406F355-F359 PolarHBondContact O-N 2.98Å; F355-F359 VanDerWaalsContact O-N 3.09Å; L356-F359 PolarHBondContact O-N 2.98Å; Y357-F359 VanDerWaalsContact C-N 3.3Å; Y357-F359 PolarHBondContact O-N 2.88Å; F359-F362 PolarHBondContact O-N 3.03Å; F359-S363 WeakPolarHBondContact O-CB 3.29Å; F359-S363 PolarHBondContact O-N 2.99Å; F359-S363 PolarHBondContact O-OG 2.94Å; F359-Y374 VanDerWaalsContact CA-OH 3.29Å; F359-Y374 WeakPolarHBondContact CA-OH 3.16Å; F359-Y374 PolarHBondContact N-OH 3.35Å; F359-Y374 VanDerWaalsContact N-OH 3.1Å; F359-L387 HydrophobicContact CD2-CD2 3.98Å; F359-L387 HydrophobicContact CE2-CD2 3.92Å; F359-Y402 HydrophobicContact CD2-CD1 4.29Å; F359-Y402 AromaticContact CE2-CD1 3.85Å; F359-Y402 HydrophobicContact CE2-CD1 3.85Å; F359-Y402 HydrophobicContact CE2-CG 4.29Å; F359-P403 HydrophobicContact CB-CG 4.13Å; F359-P403 HydrophobicContact CD1-CG 3.75Å; F359-P403 HydrophobicContact CD2-CG 4.07Å; F359-P403 HydrophobicContact CE1-CG 4.17Å; F359-P403 HydrophobicContact CE2-CG 4.45Å; F359-P403 HydrophobicContact CG-CG 3.7Å; F359-P403 HydrophobicContact CZ-CG 4.5Å; F359-G404 WeakPolarHBondContact CZ-O 3.46Å; F359-L406 HydrophobicContact CE2-CD2 3.94Å; F359-L406 HydrophobicContact CZ-CD2 4.38Å
360H86.4Confident86.4Confident36 Ų3650.8 Ų50.817%0.16723%0.228CC..Hα-helixtrans-66.9-41.5175.2178.4-101000112.2Y327 L356 Y357 A358 S363 K364Y327-H360 HydrophobicContact CD2-CB 3.78Å; Y327-H360 AromaticContact CD2-CG 3.69Å; Y327-H360 AromaticContact CD2-ND1 3.7Å; Y327-H360 HydrophobicContact CE2-CB 3.36Å; Y327-H360 AromaticContact CE2-CD2 3.67Å; Y327-H360 AromaticContact CE2-CG 3.31Å; Y327-H360 AromaticContact CE2-ND1 3.78Å; L356-H360 WeakPolarHBondContact O-CB 3.42Å; L356-H360 PolarHBondContact O-N 3.47Å; Y357-H360 WeakPolarHBondContact O-CB 3.44Å; Y357-H360 PolarHBondContact O-N 2.86Å; Y357-H360 VanDerWaalsContact O-N 3.12Å; A358-H360 VanDerWaalsContact C-N 3.34Å; A358-H360 PolarHBondContact O-N 3.5Å; H360-S363 WeakPolarHBondContact O-CB 3.48Å; H360-S363 PolarHBondContact O-N 3.1Å; H360-K364 WeakPolarHBondContact O-CB 3.34Å; H360-K364 WeakPolarHBondContact O-CG 3.43Å; H360-K364 PolarHBondContact O-N 3.43Å
361L87.3Confident86.7Confident4 Ų450.1 Ų50.12%0.02122%0.224CC..Hα-helixtrans-62.5-42.6174.7-75172.5000111.8Y357 A358 S363 K364 R365 R366 E369 A370 I373Y357-L361 HydrophobicContact CD1-CD1 4.39Å; Y357-L361 HydrophobicContact CD2-CD1 4.07Å; Y357-L361 HydrophobicContact CD2-CG 3.91Å; Y357-L361 HydrophobicContact CE1-CD1 3.97Å; Y357-L361 HydrophobicContact CE2-CD1 3.64Å; Y357-L361 HydrophobicContact CE2-CD2 3.76Å; Y357-L361 HydrophobicContact CE2-CG 3.51Å; Y357-L361 HydrophobicContact CG-CD1 4.41Å; Y357-L361 WeakPolarHBondContact O-CG 3.38Å; Y357-L361 PolarHBondContact O-N 3.12Å; A358-L361 PolarHBondContact O-N 2.95Å; L361-S363 VanDerWaalsContact C-N 3.32Å; L361-S363 PolarHBondContact O-N 3.29Å; L361-K364 CarbonylContact O-C 3.54Å; L361-K364 WeakPolarHBondContact O-CA 3.44Å; L361-K364 PolarHBondContact O-N 3.37Å; L361-K364 VanDerWaalsContact O-N 3.08Å; L361-R365 PolarHBondContact O-N 2.97Å; L361-R365 VanDerWaalsContact O-N 3.15Å; L361-R366 HydrophobicContact CB-CB 4.37Å; L361-R366 HydrophobicContact CD2-CB 4.14Å; L361-R366 PolarHBondContact O-N 3.43Å; L361-E369 HydrophobicContact CD1-CB 4.09Å; L361-A370 HydrophobicContact CB-CB 3.84Å; L361-I373 HydrophobicContact CD1-CD1 3.48Å; L361-I373 VanDerWaalsContact CD1-CD1 3.48Å
362F85.5Confident86.9Confident1 Ų148 Ų480%0.00422%0.222CC..Hα-helixtrans-58.1-46.6173.3-175.3-89.8000110.9A358 F359 K364 R365 F367 A370 F371 L387 F388 P407 L410A358-F362 WeakPolarHBondContact O-CB 3.39Å; A358-F362 PolarHBondContact O-N 3.33Å; F359-F362 PolarHBondContact O-N 3.03Å; F362-K364 PolarHBondContact O-N 3.16Å; F362-R365 PolarHBondContact O-N 3.29Å; F362-F367 AromaticContact CD2-CD1 3.62Å; F362-F367 HydrophobicContact CD2-CD1 3.62Å; F362-F367 HydrophobicContact CD2-CE1 4.03Å; F362-F367 AromaticContact CE2-CD1 3.66Å; F362-F367 HydrophobicContact CE2-CD1 3.66Å; F362-F367 AromaticContact CE2-CE1 3.87Å; F362-F367 HydrophobicContact CE2-CE1 3.87Å; F362-F367 HydrophobicContact CG-CD1 4.34Å; F362-F367 HydrophobicContact CG-CE1 4.45Å; F362-F367 HydrophobicContact CZ-CD1 4.42Å; F362-F367 HydrophobicContact CZ-CE1 4.18Å; F362-A370 HydrophobicContact CB-CB 4.12Å; F362-F371 HydrophobicContact CD2-CE1 4.31Å; F362-F371 HydrophobicContact CD2-CZ 4.07Å; F362-F371 HydrophobicContact CE2-CE1 4.41Å; F362-F371 AromaticContact CE2-CZ 3.9Å; F362-F371 HydrophobicContact CE2-CZ 3.9Å; F362-L387 HydrophobicContact CD1-CD2 4.44Å; F362-L387 HydrophobicContact CD2-CD1 4.02Å; F362-L387 HydrophobicContact CE1-CB 4.11Å; F362-L387 HydrophobicContact CE1-CD2 4.49Å; F362-L387 HydrophobicContact CE2-CB 4.21Å; F362-L387 HydrophobicContact CE2-CD1 4.13Å; F362-L387 HydrophobicContact CG-CD1 4.25Å; F362-L387 HydrophobicContact CZ-CB 3.83Å; F362-L387 HydrophobicContact CZ-CD1 4.46Å; F362-F388 HydrophobicContact CE2-CE2 4.06Å; F362-F388 AromaticContact CE2-CZ 3.9Å; F362-F388 HydrophobicContact CE2-CZ 3.9Å; F362-F388 HydrophobicContact CZ-CE2 4.39Å; F362-F388 HydrophobicContact CZ-CZ 4.26Å; F362-P407 HydrophobicContact CE1-CG 4.27Å; F362-L410 HydrophobicContact CZ-CD1 4.47Å
363S84.3Confident87Confident49 Ų4944.3 Ų44.334%0.34320%0.202SC..Hα-helixtrans-62.9-29176.1-57.70000113.1F359 H360 L361 R365F359-S363 WeakPolarHBondContact O-CB 3.29Å; F359-S363 PolarHBondContact O-N 2.99Å; F359-S363 PolarHBondContact O-OG 2.94Å; H360-S363 WeakPolarHBondContact O-CB 3.48Å; H360-S363 PolarHBondContact O-N 3.1Å; L361-S363 VanDerWaalsContact C-N 3.32Å; L361-S363 PolarHBondContact O-N 3.29Å; S363-R365 VanDerWaalsContact C-N 3.29Å
364K85.1Confident87.1Confident136 Ų13643.8 Ų43.859%0.59120%0.199SC*.THydrogen-bonded Turntrans-855.9173.8-71.4-69.8-173.7177.40113.7H360 L361 F362 R366H360-K364 WeakPolarHBondContact O-CB 3.34Å; H360-K364 WeakPolarHBondContact O-CG 3.43Å; H360-K364 PolarHBondContact O-N 3.43Å; L361-K364 CarbonylContact O-C 3.54Å; L361-K364 WeakPolarHBondContact O-CA 3.44Å; L361-K364 PolarHBondContact O-N 3.37Å; L361-K364 VanDerWaalsContact O-N 3.08Å; F362-K364 PolarHBondContact O-N 3.16Å; K364-R366 VanDerWaalsContact C-N 3.26Å; K364-R366 PolarHBondContact O-N 3.02Å
365R83.5Confident87Confident133 Ų13344.3 Ų44.350%0.50221%0.205SC..THydrogen-bonded Turntrans66.620.6179.8-48170.7-179.9-160.6-6.4114.4L361 F362 S363 F367 D414L361-R365 PolarHBondContact O-N 2.97Å; L361-R365 VanDerWaalsContact O-N 3.15Å; F362-R365 PolarHBondContact O-N 3.29Å; S363-R365 VanDerWaalsContact C-N 3.29Å; R365-F367 HydrophobicContact CB-CE2 3.94Å; R365-F367 HydrophobicContact CB-CZ 3.85Å; R365-F367 HydrophobicContact CG-CZ 4.22Å; R365-F367 WeakPolarHBondContact O-CD2 3.18Å; R365-F367 PolarHBondContact O-N 2.97Å; R365-D414 WeakPolarHBondContact CD-OD2 3.48Å; R365-D414 IonicContact CZ-OD2 2.71Å; R365-D414 IonicContact NE-OD2 3.4Å; R365-D414 IonicContact NH1-OD2 3.22Å; R365-D414 PolarHBondContact NH1-OD2 3.22Å
366R86.9Confident87Confident111 Ų11147.5 Ų47.542%0.41922%0.221SC..  trans-94.571.8172-67176.373.4179.111.7108.9L361 K364 E369 A370L361-R366 HydrophobicContact CB-CB 4.37Å; L361-R366 HydrophobicContact CD2-CB 4.14Å; L361-R366 PolarHBondContact O-N 3.43Å; K364-R366 VanDerWaalsContact C-N 3.26Å; K364-R366 PolarHBondContact O-N 3.02Å; R366-E369 IonicContact CZ-OE1 3.19Å; R366-E369 IonicContact CZ-OE2 3.27Å; R366-E369 IonicContact NE-OE1 3.84Å; R366-E369 PolarHBondContact NE-OE1 3.08Å; R366-E369 IonicContact NE-OE2 3.93Å; R366-E369 PolarHBondContact NE-OE2 3.26Å; R366-E369 IonicContact NH1-OE2 3.72Å; R366-E369 IonicContact NH2-OE1 3.16Å; R366-E369 PolarHBondContact NH2-OE1 2.93Å; R366-E369 IonicContact NH2-OE2 2.79Å; R366-E369 PolarHBondContact NH2-OE2 3.39Å; R366-A370 WeakPolarHBondContact O-CB 3.3Å; R366-A370 PolarHBondContact O-N 3.38Å
367F87.7Confident86.8Confident9 Ų946.3 Ų46.34%0.03922%0.215CC..Hα-helixtrans-68.4-44.3-168.1-55-66.6000113.7F362 R365 A370 F371 L410 D414 R417 A418 A421F362-F367 AromaticContact CD2-CD1 3.62Å; F362-F367 HydrophobicContact CD2-CD1 3.62Å; F362-F367 HydrophobicContact CD2-CE1 4.03Å; F362-F367 AromaticContact CE2-CD1 3.66Å; F362-F367 HydrophobicContact CE2-CD1 3.66Å; F362-F367 AromaticContact CE2-CE1 3.87Å; F362-F367 HydrophobicContact CE2-CE1 3.87Å; F362-F367 HydrophobicContact CG-CD1 4.34Å; F362-F367 HydrophobicContact CG-CE1 4.45Å; F362-F367 HydrophobicContact CZ-CD1 4.42Å; F362-F367 HydrophobicContact CZ-CE1 4.18Å; R365-F367 HydrophobicContact CB-CE2 3.94Å; R365-F367 HydrophobicContact CB-CZ 3.85Å; R365-F367 HydrophobicContact CG-CZ 4.22Å; R365-F367 WeakPolarHBondContact O-CD2 3.18Å; R365-F367 PolarHBondContact O-N 2.97Å; F367-A370 WeakPolarHBondContact O-CB 3.33Å; F367-A370 PolarHBondContact O-N 3.43Å; F367-F371 HydrophobicContact CB-CD2 4.42Å; F367-F371 HydrophobicContact CB-CE2 4.01Å; F367-F371 WeakPolarHBondContact O-CD2 3.24Å; F367-F371 WeakPolarHBondContact O-CG 3.44Å; F367-F371 PolarHBondContact O-N 3.49Å; F367-L410 HydrophobicContact CE1-CD2 4.43Å; F367-L410 HydrophobicContact CZ-CD2 3.97Å; F367-D414 HydrophobicContact CE2-CB 4.17Å; F367-D414 WeakPolarHBondContact CE2-O 3.36Å; F367-D414 HydrophobicContact CZ-CB 4.34Å; F367-R417 HydrophobicContact CD2-CB 4.28Å; F367-A418 HydrophobicContact CB-CB 4.37Å; F367-A418 HydrophobicContact CD1-CB 3.61Å; F367-A418 HydrophobicContact CD2-CB 3.69Å; F367-A418 HydrophobicContact CE1-CB 3.7Å; F367-A418 HydrophobicContact CE2-CB 3.77Å; F367-A418 HydrophobicContact CG-CB 3.61Å; F367-A418 HydrophobicContact CZ-CB 3.77Å; F367-A421 HydrophobicContact CB-CB 4Å
368Q87.4Confident86.5Confident90 Ų9053.7 Ų53.742%0.42125%0.247SC..Hα-helixtrans-59.6-52.8-178.3-17261.544.500111.1A370 F371 D372Q368-A370 VanDerWaalsContact C-N 3.28Å; Q368-A370 PolarHBondContact O-N 3.18Å; Q368-F371 PolarHBondContact O-N 3.43Å; Q368-D372 PolarHBondContact NE2-OD1 3.26Å; Q368-D372 PolarHBondContact O-N 3.23Å
369E87.9Confident86.1Confident74 Ų7454.5 Ų54.535%0.34625%0.254SS..Hα-helixtrans-62-35.6179.5-61.4175.8-118.800112.6L361 R366 I373L361-E369 HydrophobicContact CD1-CB 4.09Å; R366-E369 IonicContact CZ-OE1 3.19Å; R366-E369 IonicContact CZ-OE2 3.27Å; R366-E369 IonicContact NE-OE1 3.84Å; R366-E369 PolarHBondContact NE-OE1 3.08Å; R366-E369 IonicContact NE-OE2 3.93Å; R366-E369 PolarHBondContact NE-OE2 3.26Å; R366-E369 IonicContact NH1-OE2 3.72Å; R366-E369 IonicContact NH2-OE1 3.16Å; R366-E369 PolarHBondContact NH2-OE1 2.93Å; R366-E369 IonicContact NH2-OE2 2.79Å; R366-E369 PolarHBondContact NH2-OE2 3.39Å; E369-I373 WeakPolarHBondContact O-CD1 3.24Å; E369-I373 VanDerWaalsContact O-CG1 3.28Å; E369-I373 WeakPolarHBondContact O-CG1 3.17Å; E369-I373 PolarHBondContact O-N 2.64Å; E369-I373 VanDerWaalsContact O-N 3.16Å
370A89.1Confident85.9Confident0 Ų058.3 Ų58.30%028%0.275CS..Hα-helixtrans-62-45.9173.500000111.4A358 L361 F362 R366 F367 Q368 I373 Y374A358-A370 WeakPolarHBondContact O-CB 3.32Å; L361-A370 HydrophobicContact CB-CB 3.84Å; F362-A370 HydrophobicContact CB-CB 4.12Å; R366-A370 WeakPolarHBondContact O-CB 3.3Å; R366-A370 PolarHBondContact O-N 3.38Å; F367-A370 WeakPolarHBondContact O-CB 3.33Å; F367-A370 PolarHBondContact O-N 3.43Å; Q368-A370 VanDerWaalsContact C-N 3.28Å; Q368-A370 PolarHBondContact O-N 3.18Å; A370-I373 PolarHBondContact O-N 3.39Å; A370-Y374 WeakPolarHBondContact O-CD2 3.29Å; A370-Y374 PolarHBondContact O-N 3.43Å
371F89.1Confident85.7Confident2 Ų257.4 Ų57.41%0.00927%0.272CS..Hα-helixtrans-72.5-32.4179.6-62.6-45.8000113.3F362 F367 Q368 I373 Y374 C375 V384 L387 F388 A421 L422 F425F362-F371 HydrophobicContact CD2-CE1 4.31Å; F362-F371 HydrophobicContact CD2-CZ 4.07Å; F362-F371 HydrophobicContact CE2-CE1 4.41Å; F362-F371 AromaticContact CE2-CZ 3.9Å; F362-F371 HydrophobicContact CE2-CZ 3.9Å; F367-F371 HydrophobicContact CB-CD2 4.42Å; F367-F371 HydrophobicContact CB-CE2 4.01Å; F367-F371 WeakPolarHBondContact O-CD2 3.24Å; F367-F371 WeakPolarHBondContact O-CG 3.44Å; F367-F371 PolarHBondContact O-N 3.49Å; Q368-F371 PolarHBondContact O-N 3.43Å; F371-I373 VanDerWaalsContact C-N 3.29Å; F371-I373 PolarHBondContact O-N 3.25Å; F371-Y374 AromaticContact CD1-CD2 3.93Å; F371-Y374 HydrophobicContact CD1-CD2 3.93Å; F371-Y374 HydrophobicContact CE1-CD2 4.48Å; F371-Y374 PolarHBondContact O-N 2.93Å; F371-C375 WeakPolarHBondContact O-CB 3.28Å; F371-C375 PolarHBondContact O-N 3.38Å; F371-V384 HydrophobicContact CD1-CG1 3.63Å; F371-V384 HydrophobicContact CE1-CG1 3.44Å; F371-V384 VanDerWaalsContact CE1-CG1 3.44Å; F371-L387 HydrophobicContact CE1-CD1 4.36Å; F371-F388 HydrophobicContact CE1-CE2 4.41Å; F371-F388 HydrophobicContact CE2-CZ 4.4Å; F371-F388 AromaticContact CZ-CE2 3.73Å; F371-F388 HydrophobicContact CZ-CE2 3.73Å; F371-F388 AromaticContact CZ-CZ 3.8Å; F371-F388 HydrophobicContact CZ-CZ 3.8Å; F371-A421 HydrophobicContact CD2-CB 3.63Å; F371-A421 WeakPolarHBondContact CD2-O 3.44Å; F371-A421 HydrophobicContact CE2-CB 3.8Å; F371-L422 HydrophobicContact CE2-CB 4.28Å; F371-L422 HydrophobicContact CZ-CB 4.42Å; F371-L422 HydrophobicContact CZ-CD1 4.43Å; F371-F425 HydrophobicContact CB-CB 4.12Å; F371-F425 HydrophobicContact CB-CD2 4.07Å; F371-F425 HydrophobicContact CB-CG 4.24Å; F371-F425 HydrophobicContact CG-CB 4.37Å
372D87.9Confident85.4Confident80 Ų8059.2 Ų59.243%0.42828%0.282SS..Hα-helixtrans-60.1-43.2172.7-61.6-22.8000110.1Q368 C375 E376Q368-D372 PolarHBondContact NE2-OD1 3.26Å; Q368-D372 PolarHBondContact O-N 3.23Å; D372-C375 WeakPolarHBondContact O-CB 3.47Å; D372-C375 PolarHBondContact O-N 3.2Å; D372-E376 PolarHBondContact O-N 3.08Å
373I86.3Confident85.3Confident21 Ų2160 Ų6011%0.10829%0.285CS..Hα-helixtrans-67.7-42.1174.7-65.2167.4000111.3K354 Y357 A358 L361 E369 A370 F371 C375 E376 I377K354-I373 HydrophobicContact CB-CG2 4.03Å; Y357-I373 HydrophobicContact CD1-CD1 3.44Å; Y357-I373 VanDerWaalsContact CD1-CD1 3.44Å; Y357-I373 HydrophobicContact CE1-CD1 3.43Å; Y357-I373 VanDerWaalsContact CE1-CD1 3.43Å; Y357-I373 HydrophobicContact CG-CD1 4.26Å; A358-I373 HydrophobicContact CB-CB 4.07Å; A358-I373 HydrophobicContact CB-CG2 3.83Å; L361-I373 HydrophobicContact CD1-CD1 3.48Å; L361-I373 VanDerWaalsContact CD1-CD1 3.48Å; E369-I373 WeakPolarHBondContact O-CD1 3.24Å; E369-I373 VanDerWaalsContact O-CG1 3.28Å; E369-I373 WeakPolarHBondContact O-CG1 3.17Å; E369-I373 PolarHBondContact O-N 2.64Å; E369-I373 VanDerWaalsContact O-N 3.16Å; A370-I373 PolarHBondContact O-N 3.39Å; F371-I373 VanDerWaalsContact C-N 3.29Å; F371-I373 PolarHBondContact O-N 3.25Å; I373-C375 PolarHBondContact O-N 2.68Å; I373-E376 WeakPolarHBondContact O-CB 3.32Å; I373-E376 PolarHBondContact O-N 3.22Å; I373-I377 HydrophobicContact CG2-CD1 3.69Å; I373-I377 HydrophobicContact CG2-CG1 4.23Å; I373-I377 VanDerWaalsContact O-CG1 3.25Å; I373-I377 WeakPolarHBondContact O-CG1 3.48Å; I373-I377 PolarHBondContact O-N 3.43Å
374Y88.7Confident85.2Confident0 Ų057.7 Ų57.70%027%0.268CS..Hα-helixtrans-61.5-35.1175.3-75.5-52.3000112.2F355 A358 F359 A370 F371 K378 A379 Y383 V384 L387F355-Y374 HydrophobicContact CD2-CD1 4.41Å; F355-Y374 AromaticContact CD2-CE1 3.91Å; F355-Y374 HydrophobicContact CD2-CE1 3.91Å; F355-Y374 HydrophobicContact CE2-CE1 4.12Å; F355-Y374 HydrophobicContact CG-CE1 4.48Å; A358-Y374 HydrophobicContact CB-CD1 3.85Å; A358-Y374 HydrophobicContact CB-CD2 3.92Å; A358-Y374 HydrophobicContact CB-CE1 3.53Å; A358-Y374 HydrophobicContact CB-CE2 3.62Å; A358-Y374 HydrophobicContact CB-CG 4.03Å; F359-Y374 VanDerWaalsContact CA-OH 3.29Å; F359-Y374 WeakPolarHBondContact CA-OH 3.16Å; F359-Y374 PolarHBondContact N-OH 3.35Å; F359-Y374 VanDerWaalsContact N-OH 3.1Å; A370-Y374 WeakPolarHBondContact O-CD2 3.29Å; A370-Y374 PolarHBondContact O-N 3.43Å; F371-Y374 AromaticContact CD1-CD2 3.93Å; F371-Y374 HydrophobicContact CD1-CD2 3.93Å; F371-Y374 HydrophobicContact CE1-CD2 4.48Å; F371-Y374 PolarHBondContact O-N 2.93Å; Y374-K378 PolarHBondContact O-N 3.31Å; Y374-K378 VanDerWaalsContact O-N 3.13Å; Y374-A379 HydrophobicContact CD1-CB 3.69Å; Y374-A379 HydrophobicContact CG-CB 4.29Å; Y374-A379 PolarHBondContact O-N 3.37Å; Y374-Y383 HydrophobicContact CE1-CD1 4.34Å; Y374-Y383 AromaticContact CE1-CE1 3.92Å; Y374-Y383 HydrophobicContact CE1-CE1 3.92Å; Y374-Y383 AromaticContact CZ-CE1 3.96Å; Y374-V384 HydrophobicContact CD1-CG2 4.4Å; Y374-V384 HydrophobicContact CD2-CG2 4.26Å; Y374-V384 HydrophobicContact CG-CG2 4.03Å; Y374-L387 HydrophobicContact CE2-CD1 4.03Å
375C86.1Confident85Confident33 Ų3351.2 Ų51.222%0.22324%0.24CC..Hα-helixtrans-66.7-45.6174-1640000110.7F371 D372 I373 I377 K378 F425 E428F371-C375 WeakPolarHBondContact O-CB 3.28Å; F371-C375 PolarHBondContact O-N 3.38Å; D372-C375 WeakPolarHBondContact O-CB 3.47Å; D372-C375 PolarHBondContact O-N 3.2Å; I373-C375 PolarHBondContact O-N 2.68Å; C375-I377 PolarHBondContact O-N 3.23Å; C375-K378 PolarHBondContact O-N 2.55Å; C375-F425 HydrophobicContact CB-CD2 4.16Å; C375-F425 HydrophobicContact CB-CE2 4.02Å; C375-E428 PolarHBondContact SG-OE2 3.46Å
376E85.3Confident84.9Confident123 Ų12344.9 Ų44.958%0.57522%0.216SC*.Hα-helixtrans-58.8-44.2176.8-164-158.9156.900112.3K354 D372 I373 K378K354-E376 VanDerWaalsContact NZ-CD 3.31Å; K354-E376 IonicContact NZ-OE1 3.06Å; K354-E376 PolarHBondContact NZ-OE1 3.49Å; K354-E376 IonicContact NZ-OE2 2.72Å; K354-E376 PolarHBondContact NZ-OE2 2.96Å; D372-E376 PolarHBondContact O-N 3.08Å; I373-E376 WeakPolarHBondContact O-CB 3.32Å; I373-E376 PolarHBondContact O-N 3.22Å; E376-K378 PolarHBondContact O-N 3.38Å
377I83.5Confident84.5Confident24 Ų2439.8 Ų39.812%0.12320%0.197CC..Hα-helixtrans-72.9-18.3179.1-59.7165.5000111.8R351 K354 F355 I373 C375R351-I377 HydrophobicContact CB-CG2 4.11Å; R351-I377 HydrophobicContact CG-CG2 4.02Å; K354-I377 VanDerWaalsContact C-CD1 3.48Å; K354-I377 HydrophobicContact CB-CD1 3.41Å; K354-I377 VanDerWaalsContact CB-CD1 3.41Å; K354-I377 HydrophobicContact CB-CG1 3.85Å; K354-I377 HydrophobicContact CD-CG1 4.35Å; F355-I377 HydrophobicContact CB-CD1 4.3Å; I373-I377 HydrophobicContact CG2-CD1 3.69Å; I373-I377 HydrophobicContact CG2-CG1 4.23Å; I373-I377 VanDerWaalsContact O-CG1 3.25Å; I373-I377 WeakPolarHBondContact O-CG1 3.48Å; I373-I377 PolarHBondContact O-N 3.43Å; C375-I377 PolarHBondContact O-N 3.23Å
378K82.6Confident84Confident186 Ų18639.4 Ų39.481%0.80920%0.195SC*.THydrogen-bonded Turntrans56.852.1-166.5-54.7178.7-179.11790111.2Y374 C375 E376Y374-K378 PolarHBondContact O-N 3.31Å; Y374-K378 VanDerWaalsContact O-N 3.13Å; C375-K378 PolarHBondContact O-N 2.55Å; E376-K378 PolarHBondContact O-N 3.38Å
379A81.2Confident83.3Confident16 Ų1637.1 Ų37.113%0.13219%0.189CC..  trans-61151.9176.500000111.3Y374 V381 V384Y374-A379 HydrophobicContact CD1-CB 3.69Å; Y374-A379 HydrophobicContact CG-CB 4.29Å; Y374-A379 PolarHBondContact O-N 3.37Å; A379-V381 PolarHBondContact O-N 3Å; A379-V384 HydrophobicContact CB-CG2 4.22Å
380D81.8Confident82.6Confident96 Ų9638.8 Ų38.851%0.51320%0.2SC..  trans-60.5129174.7-172.3-15.8000110L382 Y383 V384D380-L382 PolarHBondContact O-N 3.39Å; D380-L382 PolarHBondContact OD1-N 3.49Å; D380-Y383 WeakPolarHBondContact O-CB 3.29Å; D380-Y383 PolarHBondContact O-N 3.27Å; D380-Y383 VanDerWaalsContact O-N 3.08Å; D380-V384 PolarHBondContact O-N 3.49Å
381V82.1Confident81.9Confident17 Ų1739.1 Ų39.110%0.10320%0.202CC..Hα-helixtrans-57.3-38.6-178.8-164.60000110.8A379 Y383 V384 I385 L426 I429 V473A379-V381 PolarHBondContact O-N 3Å; V381-Y383 VanDerWaalsContact C-N 3.3Å; V381-Y383 PolarHBondContact O-N 3.37Å; V381-V384 PolarHBondContact O-N 2.73Å; V381-I385 HydrophobicContact CG1-CD1 3.68Å; V381-I385 HydrophobicContact CG1-CG1 4.25Å; V381-I385 WeakPolarHBondContact O-CG1 3.29Å; V381-I385 PolarHBondContact O-N 3Å; V381-L426 HydrophobicContact CG1-CD2 3.86Å; V381-I429 HydrophobicContact CG1-CD1 4.42Å; V381-I429 HydrophobicContact CG1-CG2 4.42Å; V381-I429 HydrophobicContact CG2-CD1 4.19Å; V381-I429 HydrophobicContact CG2-CG2 3.79Å; V381-V473 HydrophobicContact CG1-CG2 3.63Å
382L81.2Confident81Confident43 Ų4339.4 Ų39.423%0.22520%0.203CC..Hα-helixtrans-63.3-39.4179.7-61.9179.3000111.4D380 V384 G386 L392 I396 I400 I472D380-L382 PolarHBondContact O-N 3.39Å; D380-L382 PolarHBondContact OD1-N 3.49Å; L382-V384 VanDerWaalsContact C-N 3.32Å; L382-V384 PolarHBondContact O-N 2.99Å; L382-G386 PolarHBondContact O-N 2.92Å; L382-L392 HydrophobicContact CD2-CD2 4.1Å; L382-L392 WeakPolarHBondContact O-CD1 3.33Å; L382-I396 HydrophobicContact CD1-CG2 4.48Å; L382-I400 HydrophobicContact CB-CD1 4.37Å; L382-I400 VanDerWaalsContact O-CD1 3.3Å; L382-I400 WeakPolarHBondContact O-CD1 3.4Å; L382-I472 HydrophobicContact CD2-CD1 3.65Å; L382-I472 HydrophobicContact CD2-CG2 3.95Å
383Y83.4Confident80.2Confident18 Ų1837.6 Ų37.67%0.07120%0.196CC..Hα-helixtrans-60.8-43.9176.5179.3-90.2000111.3F355 Y374 D380 V381 G386 I400 Y402 P403F355-Y383 AromaticContact CE1-CE1 3.91Å; F355-Y383 HydrophobicContact CE1-CE1 3.91Å; F355-Y383 AromaticContact CE1-CE2 3.86Å; F355-Y383 HydrophobicContact CE1-CE2 3.86Å; F355-Y383 AromaticContact CE1-CZ 3.4Å; F355-Y383 WeakPolarHBondContact CE1-OH 3.46Å; F355-Y383 AromaticContact CE2-CD1 3.7Å; F355-Y383 HydrophobicContact CE2-CD1 3.7Å; F355-Y383 HydrophobicContact CE2-CD2 4.42Å; F355-Y383 AromaticContact CE2-CE1 3.54Å; F355-Y383 HydrophobicContact CE2-CE1 3.54Å; F355-Y383 HydrophobicContact CE2-CE2 4.31Å; F355-Y383 HydrophobicContact CE2-CG 4.15Å; F355-Y383 AromaticContact CE2-CZ 3.86Å; F355-Y383 AromaticContact CZ-CD1 3.66Å; F355-Y383 HydrophobicContact CZ-CD1 3.66Å; F355-Y383 AromaticContact CZ-CD2 3.73Å; F355-Y383 HydrophobicContact CZ-CD2 3.73Å; F355-Y383 AromaticContact CZ-CE1 3.21Å; F355-Y383 HydrophobicContact CZ-CE1 3.21Å; F355-Y383 AromaticContact CZ-CE2 3.3Å; F355-Y383 HydrophobicContact CZ-CE2 3.3Å; F355-Y383 AromaticContact CZ-CG 3.9Å; F355-Y383 HydrophobicContact CZ-CG 3.9Å; F355-Y383 AromaticContact CZ-CZ 3Å; F355-Y383 WeakPolarHBondContact CZ-OH 3.43Å; Y374-Y383 HydrophobicContact CE1-CD1 4.34Å; Y374-Y383 AromaticContact CE1-CE1 3.92Å; Y374-Y383 HydrophobicContact CE1-CE1 3.92Å; Y374-Y383 AromaticContact CZ-CE1 3.96Å; D380-Y383 WeakPolarHBondContact O-CB 3.29Å; D380-Y383 PolarHBondContact O-N 3.27Å; D380-Y383 VanDerWaalsContact O-N 3.08Å; V381-Y383 VanDerWaalsContact C-N 3.3Å; V381-Y383 PolarHBondContact O-N 3.37Å; Y383-G386 PolarHBondContact O-N 3.46Å; Y383-I400 HydrophobicContact CD2-CG2 3.51Å; Y383-I400 HydrophobicContact CE2-CG2 4.09Å; Y383-I400 HydrophobicContact CG-CG2 4.41Å; Y383-Y402 HydrophobicContact CD1-CE1 4.3Å; Y383-Y402 HydrophobicContact CD2-CD1 4.23Å; Y383-Y402 AromaticContact CD2-CE1 3.72Å; Y383-Y402 HydrophobicContact CD2-CE1 3.72Å; Y383-Y402 HydrophobicContact CE1-CD1 4.25Å; Y383-Y402 AromaticContact CE1-CE1 3.93Å; Y383-Y402 HydrophobicContact CE1-CE1 3.93Å; Y383-Y402 AromaticContact CE2-CD1 3.34Å; Y383-Y402 HydrophobicContact CE2-CD1 3.34Å; Y383-Y402 AromaticContact CE2-CE1 3.27Å; Y383-Y402 HydrophobicContact CE2-CE1 3.27Å; Y383-Y402 HydrophobicContact CE2-CG 4.24Å; Y383-Y402 HydrophobicContact CG-CE1 4.2Å; Y383-Y402 AromaticContact CZ-CD1 3.36Å; Y383-Y402 AromaticContact CZ-CE1 3.41Å; Y383-Y402 VanDerWaalsContact CZ-CE1 3.41Å; Y383-Y402 PolarHBondContact O-OH 3.29Å; Y383-Y402 WeakPolarHBondContact OH-CD1 3.24Å; Y383-P403 VanDerWaalsContact OH-CD 3.25Å; Y383-P403 WeakPolarHBondContact OH-CD 3.14Å
384V82.5Confident79.4Confident0 Ų041 Ų410%022%0.215CC..Hα-helixtrans-71.3-43.2-177.9-175.40000111.6F371 Y374 A379 D380 V381 L382 G386 L387 L422 F425F371-V384 HydrophobicContact CD1-CG1 3.63Å; F371-V384 HydrophobicContact CE1-CG1 3.44Å; F371-V384 VanDerWaalsContact CE1-CG1 3.44Å; Y374-V384 HydrophobicContact CD1-CG2 4.4Å; Y374-V384 HydrophobicContact CD2-CG2 4.26Å; Y374-V384 HydrophobicContact CG-CG2 4.03Å; A379-V384 HydrophobicContact CB-CG2 4.22Å; D380-V384 PolarHBondContact O-N 3.49Å; V381-V384 PolarHBondContact O-N 2.73Å; L382-V384 VanDerWaalsContact C-N 3.32Å; L382-V384 PolarHBondContact O-N 2.99Å; V384-G386 VanDerWaalsContact C-N 3.29Å; V384-G386 PolarHBondContact O-N 3.43Å; V384-L387 HydrophobicContact CG1-CD1 4.41Å; V384-L387 VanDerWaalsContact O-CB 3.32Å; V384-L387 WeakPolarHBondContact O-CB 3.38Å; V384-L387 WeakPolarHBondContact O-CG 3.33Å; V384-L387 PolarHBondContact O-N 3.2Å; V384-L422 HydrophobicContact CG1-CD1 4.08Å; V384-F425 HydrophobicContact CB-CE1 3.69Å; V384-F425 HydrophobicContact CB-CZ 4.12Å; V384-F425 HydrophobicContact CG1-CD1 3.93Å; V384-F425 HydrophobicContact CG1-CE1 3.49Å; V384-F425 VanDerWaalsContact CG1-CE1 3.49Å; V384-F425 HydrophobicContact CG1-CZ 4.04Å; V384-F425 HydrophobicContact CG2-CE1 3.85Å; V384-F425 HydrophobicContact CG2-CZ 3.73Å
385I81.1Confident78.6Confident0 Ų047.7 Ų47.70%025%0.246CC..Hα-helixtrans-64.3-37.5176.8-62165.4000110.4V381 L387 F388 L391 L392 L426 I472 T476V381-I385 HydrophobicContact CG1-CD1 3.68Å; V381-I385 HydrophobicContact CG1-CG1 4.25Å; V381-I385 WeakPolarHBondContact O-CG1 3.29Å; V381-I385 PolarHBondContact O-N 3Å; I385-L387 PolarHBondContact O-N 3.22Å; I385-L387 VanDerWaalsContact O-N 3.14Å; I385-F388 PolarHBondContact O-N 3.3Å; I385-L391 HydrophobicContact CG2-CB 3.73Å; I385-L391 HydrophobicContact CG2-CD1 4.37Å; I385-L392 HydrophobicContact CB-CD1 3.82Å; I385-L392 HydrophobicContact CB-CG 4.22Å; I385-L392 HydrophobicContact CG2-CD1 3.72Å; I385-L392 HydrophobicContact CG2-CD2 4.48Å; I385-L392 HydrophobicContact CG2-CG 3.6Å; I385-L426 HydrophobicContact CD1-CD2 3.94Å; I385-L426 HydrophobicContact CG1-CD2 3.91Å; I385-I472 HydrophobicContact CD1-CG2 3.99Å; I385-T476 HydrophobicContact CD1-CG2 4.22Å; I385-T476 HydrophobicContact CG2-CG2 3.88Å
386G80.2Confident77.9Confident0 Ų048.9 Ų48.90%025%0.249CC..THydrogen-bonded Turntrans-67.2-12.9-178.500000115.1L382 Y383 V384 F388 R397 Y402L382-G386 PolarHBondContact O-N 2.92Å; Y383-G386 PolarHBondContact O-N 3.46Å; V384-G386 VanDerWaalsContact C-N 3.29Å; V384-G386 PolarHBondContact O-N 3.43Å; G386-F388 PolarHBondContact O-N 2.92Å; G386-R397 PolarHBondContact O-NE 2.81Å; G386-R397 PolarHBondContact O-NH2 2.77Å; G386-Y402 WeakPolarHBondContact CA-OH 3.44Å; G386-Y402 PolarHBondContact O-OH 3.14Å
387L79.9Confident77.4Confident4 Ų445.6 Ų45.62%0.02123%0.232CC..THydrogen-bonded Turntrans-60.4-27.8170.1-67171.1000111.4F359 F362 F371 Y374 V384 I385 Y402 L406F359-L387 HydrophobicContact CD2-CD2 3.98Å; F359-L387 HydrophobicContact CE2-CD2 3.92Å; F362-L387 HydrophobicContact CD1-CD2 4.44Å; F362-L387 HydrophobicContact CD2-CD1 4.02Å; F362-L387 HydrophobicContact CE1-CB 4.11Å; F362-L387 HydrophobicContact CE1-CD2 4.49Å; F362-L387 HydrophobicContact CE2-CB 4.21Å; F362-L387 HydrophobicContact CE2-CD1 4.13Å; F362-L387 HydrophobicContact CG-CD1 4.25Å; F362-L387 HydrophobicContact CZ-CB 3.83Å; F362-L387 HydrophobicContact CZ-CD1 4.46Å; F371-L387 HydrophobicContact CE1-CD1 4.36Å; Y374-L387 HydrophobicContact CE2-CD1 4.03Å; V384-L387 HydrophobicContact CG1-CD1 4.41Å; V384-L387 VanDerWaalsContact O-CB 3.32Å; V384-L387 WeakPolarHBondContact O-CB 3.38Å; V384-L387 WeakPolarHBondContact O-CG 3.33Å; V384-L387 PolarHBondContact O-N 3.2Å; I385-L387 PolarHBondContact O-N 3.22Å; I385-L387 VanDerWaalsContact O-N 3.14Å; L387-Y402 HydrophobicContact CD2-CD1 3.73Å; L387-Y402 HydrophobicContact CD2-CE1 3.39Å; L387-Y402 HydrophobicContact CG-CE1 3.97Å; L387-Y402 PolarHBondContact N-OH 2.85Å; L387-L406 HydrophobicContact CD2-CD2 3.7Å
388F77.6Confident76.9Confident0 Ų054.7 Ų54.70%026%0.264CS..SBendtrans-96.9137.6-179.4-65-93.6000111.7F362 F371 I385 G386 L391 R397 A418 L419 L422F362-F388 HydrophobicContact CE2-CE2 4.06Å; F362-F388 AromaticContact CE2-CZ 3.9Å; F362-F388 HydrophobicContact CE2-CZ 3.9Å; F362-F388 HydrophobicContact CZ-CE2 4.39Å; F362-F388 HydrophobicContact CZ-CZ 4.26Å; F371-F388 HydrophobicContact CE1-CE2 4.41Å; F371-F388 HydrophobicContact CE2-CZ 4.4Å; F371-F388 AromaticContact CZ-CE2 3.73Å; F371-F388 HydrophobicContact CZ-CE2 3.73Å; F371-F388 AromaticContact CZ-CZ 3.8Å; F371-F388 HydrophobicContact CZ-CZ 3.8Å; I385-F388 PolarHBondContact O-N 3.3Å; G386-F388 PolarHBondContact O-N 2.92Å; F388-L391 HydrophobicContact CB-CD1 3.58Å; F388-L391 HydrophobicContact CB-CG 3.99Å; F388-L391 HydrophobicContact CD2-CD1 4.29Å; F388-L391 HydrophobicContact CG-CD1 3.94Å; F388-R397 PolarHBondContact O-NH2 3.04Å; F388-A418 HydrophobicContact CE1-CB 3.48Å; F388-A418 VanDerWaalsContact CE1-CB 3.48Å; F388-A418 HydrophobicContact CZ-CB 3.73Å; F388-L419 HydrophobicContact CD1-CD2 3.83Å; F388-L419 HydrophobicContact CD1-CG 4.34Å; F388-L419 HydrophobicContact CE1-CD2 3.88Å; F388-L419 HydrophobicContact CE1-CG 4.11Å; F388-L419 HydrophobicContact CG-CD2 4.4Å; F388-L422 HydrophobicContact CD2-CD2 3.79Å; F388-L422 HydrophobicContact CE2-CB 4.1Å; F388-L422 HydrophobicContact CE2-CD1 4.01Å; F388-L422 HydrophobicContact CE2-CD2 3.7Å; F388-L422 HydrophobicContact CE2-CG 4.14Å; F388-L422 HydrophobicContact CG-CD2 4.39Å; F388-L422 HydrophobicContact CZ-CB 4.09Å; F388-L422 HydrophobicContact CZ-CD2 4.22Å
389P71.7Confident76.6Confident43 Ų4351.6 Ų51.628%0.27926%0.261SS..THydrogen-bonded Turntrans-66.4148.6167.128.7-30.8000112L391 R397P389-L391 PolarHBondContact O-N 3.23Å; P389-L391 VanDerWaalsContact O-N 3.11Å; P389-R397 VanDerWaalsContact CA-NH1 3.31Å
390D72.7Confident76.4Confident109 Ų10952.4 Ų52.458%0.58326%0.263SS*.THydrogen-bonded Turntrans67.40.1171.5-44.4-31.8000118
391L74.7Confident76.1Confident7 Ų753 Ų534%0.03728%0.275CS..SBendtrans-84-36.9177.1-66.5-174.3000113.1I385 F388 P389 L419 L422 T476 K479I385-L391 HydrophobicContact CG2-CB 3.73Å; I385-L391 HydrophobicContact CG2-CD1 4.37Å; F388-L391 HydrophobicContact CB-CD1 3.58Å; F388-L391 HydrophobicContact CB-CG 3.99Å; F388-L391 HydrophobicContact CD2-CD1 4.29Å; F388-L391 HydrophobicContact CG-CD1 3.94Å; P389-L391 PolarHBondContact O-N 3.23Å; P389-L391 VanDerWaalsContact O-N 3.11Å; L391-L419 HydrophobicContact CD1-CD2 3.9Å; L391-L422 HydrophobicContact CD1-CD2 3.54Å; L391-T476 HydrophobicContact CB-CG2 4.44Å; L391-K479 HydrophobicContact CD2-CB 4.26Å
392L71Confident75.9Confident7 Ų753.9 Ų53.94%0.03728%0.277CS..SBendtrans-103.4145.6177.3-85.9161.5000111.4L382 I385 N394 I396 I400 I472L382-L392 HydrophobicContact CD2-CD2 4.1Å; L382-L392 WeakPolarHBondContact O-CD1 3.33Å; I385-L392 HydrophobicContact CB-CD1 3.82Å; I385-L392 HydrophobicContact CB-CG 4.22Å; I385-L392 HydrophobicContact CG2-CD1 3.72Å; I385-L392 HydrophobicContact CG2-CD2 4.48Å; I385-L392 HydrophobicContact CG2-CG 3.6Å; L392-N394 PolarHBondContact O-N 2.88Å; L392-I396 HydrophobicContact CD2-CB 4.4Å; L392-I396 HydrophobicContact CD2-CD1 4.36Å; L392-I396 HydrophobicContact CD2-CG2 4.1Å; L392-I400 HydrophobicContact CD1-CD1 4.39Å; L392-I472 HydrophobicContact CD2-CG2 3.92Å
393P70.5Confident75.6Confident42 Ų4255.1 Ų55.127%0.27329%0.287SS..  trans-50.3138.3164.4-24.733.6000111.1E395 I396 R397P393-E395 VanDerWaalsContact CB-OE2 3.27Å; P393-E395 WeakPolarHBondContact CB-OE2 3.46Å; P393-E395 PolarHBondContact O-N 3.46Å; P393-E395 VanDerWaalsContact O-N 3.14Å; P393-I396 HydrophobicContact CB-CD1 4.45Å; P393-I396 HydrophobicContact CG-CD1 4.2Å; P393-I396 PolarHBondContact O-N 3.46Å; P393-I396 VanDerWaalsContact O-N 3.11Å; P393-R397 PolarHBondContact O-N 2.82Å; P393-R397 VanDerWaalsContact O-N 3.1Å
394N69.9Low75Confident94 Ų9455.5 Ų55.550%0.50330%0.296SS..Hα-helixtrans-60.6-27.2-173.7-77.2-43.4000112.5L392 R398L392-N394 PolarHBondContact O-N 2.88Å; N394-R398 VanDerWaalsContact O-CG 3.28Å; N394-R398 WeakPolarHBondContact O-CG 3.27Å; N394-R398 PolarHBondContact O-N 3.29Å; N394-R398 VanDerWaalsContact O-N 3.15Å
395E71.4Confident74.6Confident140 Ų14061.3 Ų61.365%0.65433%0.334SS*.Hα-helixtrans-64-46.3177.1-57.773.4-153.400111.2P393 T399P393-E395 VanDerWaalsContact CB-OE2 3.27Å; P393-E395 WeakPolarHBondContact CB-OE2 3.46Å; P393-E395 PolarHBondContact O-N 3.46Å; P393-E395 VanDerWaalsContact O-N 3.14Å; E395-T399 PolarHBondContact O-OG1 3.34Å
396I72.4Confident74.2Confident58 Ų5863.4 Ų63.430%0.29735%0.345SS..Hα-helixtrans-70.7-43.5-179.7-57.5176.3000109.2L382 L392 P393 R398 T399L382-I396 HydrophobicContact CD1-CG2 4.48Å; L392-I396 HydrophobicContact CD2-CB 4.4Å; L392-I396 HydrophobicContact CD2-CD1 4.36Å; L392-I396 HydrophobicContact CD2-CG2 4.1Å; P393-I396 HydrophobicContact CB-CD1 4.45Å; P393-I396 HydrophobicContact CG-CD1 4.2Å; P393-I396 PolarHBondContact O-N 3.46Å; P393-I396 VanDerWaalsContact O-N 3.11Å; I396-R398 VanDerWaalsContact C-N 3.26Å; I396-R398 PolarHBondContact O-N 2.86Å; I396-T399 WeakPolarHBondContact O-CB 3.43Å; I396-T399 PolarHBondContact O-N 3.46Å
397R73.3Confident73.6Confident54 Ų5465.3 Ų65.320%0.20436%0.357CS..Hα-helixtrans-59.5-36-178.8-165176.5-170.7-163.94113G386 F388 P389 P393 T399 I400G386-R397 PolarHBondContact O-NE 2.81Å; G386-R397 PolarHBondContact O-NH2 2.77Å; F388-R397 PolarHBondContact O-NH2 3.04Å; P389-R397 VanDerWaalsContact CA-NH1 3.31Å; P393-R397 PolarHBondContact O-N 2.82Å; P393-R397 VanDerWaalsContact O-N 3.1Å; R397-T399 PolarHBondContact O-N 2.9Å; R397-I400 PolarHBondContact O-N 3.17Å
398R74.3Confident72.7Confident214 Ų21471.8 Ų71.881%0.80840%0.397SS*.Hα-helixtrans-69.2-19.7177.5-75.4174.5-176.3-177.63.5114.2N394 I396 I400N394-R398 VanDerWaalsContact O-CG 3.28Å; N394-R398 WeakPolarHBondContact O-CG 3.27Å; N394-R398 PolarHBondContact O-N 3.29Å; N394-R398 VanDerWaalsContact O-N 3.15Å; I396-R398 VanDerWaalsContact C-N 3.26Å; I396-R398 PolarHBondContact O-N 2.86Å; R398-I400 PolarHBondContact O-N 3.32Å
399T76.7Confident72.1Confident121 Ų12180.3 Ų80.374%0.74244%0.437SS*.Hα-helixtrans-76.6-15.9177.2-51.10000111.4E395 I396 R397E395-T399 PolarHBondContact O-OG1 3.34Å; I396-T399 WeakPolarHBondContact O-CB 3.43Å; I396-T399 PolarHBondContact O-N 3.46Å; R397-T399 PolarHBondContact O-N 2.9Å
400I76.4Confident72.1Confident34 Ų3479.8 Ų79.817%0.17443%0.432CS..  trans-96.5124.7-173.7-53.3167.8000110.4L382 Y383 L392 R397 R398 Y402L382-I400 HydrophobicContact CB-CD1 4.37Å; L382-I400 VanDerWaalsContact O-CD1 3.3Å; L382-I400 WeakPolarHBondContact O-CD1 3.4Å; Y383-I400 HydrophobicContact CD2-CG2 3.51Å; Y383-I400 HydrophobicContact CE2-CG2 4.09Å; Y383-I400 HydrophobicContact CG-CG2 4.41Å; L392-I400 HydrophobicContact CD1-CD1 4.39Å; R397-I400 PolarHBondContact O-N 3.17Å; R398-I400 PolarHBondContact O-N 3.32Å; I400-Y402 HydrophobicContact CB-CE2 4.04Å; I400-Y402 HydrophobicContact CG2-CD2 4.27Å; I400-Y402 HydrophobicContact CG2-CE1 4.12Å; I400-Y402 HydrophobicContact CG2-CE2 3.6Å; I400-Y402 VanDerWaalsContact CG2-CZ 3.49Å; I400-Y402 WeakPolarHBondContact CG2-OH 3.43Å
401S75.1Confident72.3Confident109 Ų10977.4 Ų77.476%0.76242%0.422SS*.  trans-101126.8175.3-175.30000110.9
402Y78.3Confident72.3Confident35 Ų3586 Ų8614%0.13746%0.459CS..  trans-104.5146.3179.7-68-81.3000111.3F359 Y383 G386 L387 I400 G404 L406F359-Y402 HydrophobicContact CD2-CD1 4.29Å; F359-Y402 AromaticContact CE2-CD1 3.85Å; F359-Y402 HydrophobicContact CE2-CD1 3.85Å; F359-Y402 HydrophobicContact CE2-CG 4.29Å; Y383-Y402 HydrophobicContact CD1-CE1 4.3Å; Y383-Y402 HydrophobicContact CD2-CD1 4.23Å; Y383-Y402 AromaticContact CD2-CE1 3.72Å; Y383-Y402 HydrophobicContact CD2-CE1 3.72Å; Y383-Y402 HydrophobicContact CE1-CD1 4.25Å; Y383-Y402 AromaticContact CE1-CE1 3.93Å; Y383-Y402 HydrophobicContact CE1-CE1 3.93Å; Y383-Y402 AromaticContact CE2-CD1 3.34Å; Y383-Y402 HydrophobicContact CE2-CD1 3.34Å; Y383-Y402 AromaticContact CE2-CE1 3.27Å; Y383-Y402 HydrophobicContact CE2-CE1 3.27Å; Y383-Y402 HydrophobicContact CE2-CG 4.24Å; Y383-Y402 HydrophobicContact CG-CE1 4.2Å; Y383-Y402 AromaticContact CZ-CD1 3.36Å; Y383-Y402 AromaticContact CZ-CE1 3.41Å; Y383-Y402 VanDerWaalsContact CZ-CE1 3.41Å; Y383-Y402 PolarHBondContact O-OH 3.29Å; Y383-Y402 WeakPolarHBondContact OH-CD1 3.24Å; G386-Y402 WeakPolarHBondContact CA-OH 3.44Å; G386-Y402 PolarHBondContact O-OH 3.14Å; L387-Y402 HydrophobicContact CD2-CD1 3.73Å; L387-Y402 HydrophobicContact CD2-CE1 3.39Å; L387-Y402 HydrophobicContact CG-CE1 3.97Å; L387-Y402 PolarHBondContact N-OH 2.85Å; I400-Y402 HydrophobicContact CB-CE2 4.04Å; I400-Y402 HydrophobicContact CG2-CD2 4.27Å; I400-Y402 HydrophobicContact CG2-CE1 4.12Å; I400-Y402 HydrophobicContact CG2-CE2 3.6Å; I400-Y402 VanDerWaalsContact CG2-CZ 3.49Å; I400-Y402 WeakPolarHBondContact CG2-OH 3.43Å; Y402-G404 PolarHBondContact O-N 2.86Å; Y402-G404 VanDerWaalsContact O-N 3.17Å; Y402-L406 HydrophobicContact CD1-CD2 4.01Å; Y402-L406 HydrophobicContact CD2-CD1 3.74Å; Y402-L406 HydrophobicContact CD2-CD2 4.16Å; Y402-L406 HydrophobicContact CD2-CG 4.11Å; Y402-L406 HydrophobicContact CE1-CD2 4.34Å; Y402-L406 HydrophobicContact CE2-CD1 3.88Å; Y402-L406 HydrophobicContact CE2-CD2 4.45Å; Y402-L406 HydrophobicContact CG-CD1 4.33Å; Y402-L406 HydrophobicContact CG-CD2 3.94Å; Y402-L406 HydrophobicContact CG-CG 4.21Å
403P74.2Confident72.8Confident68 Ų6890.4 Ų90.444%0.44248%0.479SS..SBendtrans-71.4-7.1-176.927.1-33.3000114.4L356 F359 Y383L356-P403 HydrophobicContact CD2-CB 3.45Å; L356-P403 VanDerWaalsContact CD2-CB 3.45Å; L356-P403 HydrophobicContact CD2-CG 3.8Å; F359-P403 HydrophobicContact CB-CG 4.13Å; F359-P403 HydrophobicContact CD1-CG 3.75Å; F359-P403 HydrophobicContact CD2-CG 4.07Å; F359-P403 HydrophobicContact CE1-CG 4.17Å; F359-P403 HydrophobicContact CE2-CG 4.45Å; F359-P403 HydrophobicContact CG-CG 3.7Å; F359-P403 HydrophobicContact CZ-CG 4.5Å; Y383-P403 VanDerWaalsContact OH-CD 3.25Å; Y383-P403 WeakPolarHBondContact OH-CD 3.14Å
404G71.3Confident73.3Confident26 Ų2689.3 Ų89.327%0.26847%0.472SS..SBendtrans-158.3175.9176.800000112.2F359 Y402 L406F359-G404 WeakPolarHBondContact CZ-O 3.46Å; Y402-G404 PolarHBondContact O-N 2.86Å; Y402-G404 VanDerWaalsContact O-N 3.17Å; G404-L406 PolarHBondContact O-N 3.22Å
405P73.2Confident73.8Confident123 Ų12386.8 Ų86.880%0.79946%0.457SS*.  trans-63.7127.1177.527.1-32.9000109.7
406L73Confident74.3Confident43 Ų4384 Ų8423%0.22544%0.444CS..  trans-64.7141.8171.8-68.7169000109.4F359 L387 Y402 G404 T408F359-L406 HydrophobicContact CE2-CD2 3.94Å; F359-L406 HydrophobicContact CZ-CD2 4.38Å; L387-L406 HydrophobicContact CD2-CD2 3.7Å; Y402-L406 HydrophobicContact CD1-CD2 4.01Å; Y402-L406 HydrophobicContact CD2-CD1 3.74Å; Y402-L406 HydrophobicContact CD2-CD2 4.16Å; Y402-L406 HydrophobicContact CD2-CG 4.11Å; Y402-L406 HydrophobicContact CE1-CD2 4.34Å; Y402-L406 HydrophobicContact CE2-CD1 3.88Å; Y402-L406 HydrophobicContact CE2-CD2 4.45Å; Y402-L406 HydrophobicContact CG-CD1 4.33Å; Y402-L406 HydrophobicContact CG-CD2 3.94Å; Y402-L406 HydrophobicContact CG-CG 4.21Å; G404-L406 PolarHBondContact O-N 3.22Å; L406-T408 PolarHBondContact O-N 3.37Å
407P67.7Low74.9Confident40 Ų4088.2 Ų88.226%0.2646%0.456SS..  trans-56.9111.9170.7-1930.2000109.1F362 E409 L410F362-P407 HydrophobicContact CE1-CG 4.27Å; P407-E409 VanDerWaalsContact C-N 3.31Å; P407-E409 PolarHBondContact O-N 2.78Å; P407-L410 HydrophobicContact CB-CD2 4.24Å; P407-L410 HydrophobicContact CB-CG 4.23Å
408T61.9Low75.4Confident140 Ų14085.7 Ų85.786%0.85945%0.447SS*.SBendtrans-72.1-29.1-172.1-9.30000111.7L406L406-T408 PolarHBondContact O-N 3.37Å
409E64Low75.8Confident179 Ų17975.8 Ų75.884%0.83641%0.41SS*.  trans-139.4112.3175.8-64.8-177.2-178.800109.6P407P407-E409 VanDerWaalsContact C-N 3.31Å; P407-E409 PolarHBondContact O-N 2.78Å
410L71.8Confident76.2Confident33 Ų3374.5 Ų74.517%0.17340%0.397CS..  trans-90.5131.2168.1-76.2162.6000108.3F362 F367 P407 K412 D414 M415F362-L410 HydrophobicContact CZ-CD1 4.47Å; F367-L410 HydrophobicContact CE1-CD2 4.43Å; F367-L410 HydrophobicContact CZ-CD2 3.97Å; P407-L410 HydrophobicContact CB-CD2 4.24Å; P407-L410 HydrophobicContact CB-CG 4.23Å; L410-K412 PolarHBondContact O-N 2.85Å; L410-D414 HydrophobicContact CD2-CB 4.43Å; L410-M415 HydrophobicContact CB-CB 4.32Å
411P77Confident76.6Confident58 Ų5873.1 Ų73.138%0.37739%0.391SS..  trans-51.8142.4171.2-25.934.1000110.9H413 D414 M415P411-H413 PolarHBondContact O-N 3.42Å; P411-D414 HydrophobicContact CB-CB 4.44Å; P411-D414 WeakPolarHBondContact CD-OD2 3.03Å; P411-D414 WeakPolarHBondContact CG-OD2 3.23Å; P411-D414 WeakPolarHBondContact O-CA 3.5Å; P411-D414 WeakPolarHBondContact O-CB 3.5Å; P411-D414 PolarHBondContact O-N 2.74Å; P411-M415 PolarHBondContact O-N 3.28Å
412K75.7Confident77.2Confident187 Ų18768 Ų6881%0.81336%0.355SS*.Hα-helixtrans-47.6-40.6-174.9-70-174.5177.2-176.40113.9L410 M415 Q416L410-K412 PolarHBondContact O-N 2.85Å; K412-M415 PolarHBondContact O-N 3.19Å; K412-Q416 PolarHBondContact O-N 3.08Å
413H80.4Confident77.6Confident100 Ų10067.6 Ų67.646%0.46336%0.356SS..Hα-helixtrans-70.5-38.5178.6171.9-95.3000113.1P411 M415 Q416 R417P411-H413 PolarHBondContact O-N 3.42Å; H413-M415 VanDerWaalsContact C-N 3.33Å; H413-Q416 PolarHBondContact O-N 3.37Å; H413-R417 PolarHBondContact CE1-NE 2.94Å; H413-R417 PolarHBondContact CE1-NH2 3.34Å; H413-R417 PolarHBondContact NE2-NE 3.46Å; H413-R417 PolarHBondContact NE2-NH2 3.01Å; H413-R417 WeakPolarHBondContact O-CG 3.27Å; H413-R417 PolarHBondContact O-N 3.47Å
414D81.5Confident78.1Confident20 Ų2066.4 Ų66.411%0.10735%0.35CS..Hα-helixtrans-68.9-36.6174-65.5-23.6000110.5R365 F367 L410 P411 R417 A418R365-D414 WeakPolarHBondContact CD-OD2 3.48Å; R365-D414 IonicContact CZ-OD2 2.71Å; R365-D414 IonicContact NE-OD2 3.4Å; R365-D414 IonicContact NH1-OD2 3.22Å; R365-D414 PolarHBondContact NH1-OD2 3.22Å; F367-D414 HydrophobicContact CE2-CB 4.17Å; F367-D414 WeakPolarHBondContact CE2-O 3.36Å; F367-D414 HydrophobicContact CZ-CB 4.34Å; L410-D414 HydrophobicContact CD2-CB 4.43Å; P411-D414 HydrophobicContact CB-CB 4.44Å; P411-D414 WeakPolarHBondContact CD-OD2 3.03Å; P411-D414 WeakPolarHBondContact CG-OD2 3.23Å; P411-D414 WeakPolarHBondContact O-CA 3.5Å; P411-D414 WeakPolarHBondContact O-CB 3.5Å; P411-D414 PolarHBondContact O-N 2.74Å; D414-R417 PolarHBondContact O-N 3.18Å; D414-A418 WeakPolarHBondContact O-CB 3.35Å; D414-A418 PolarHBondContact O-N 3.1Å
415M81Confident78.9Confident40 Ų4065.5 Ų65.520%0.19734%0.339CS..Hα-helixtrans-62.3-43173.2-169.2175.6-171.600111.4L410 P411 K412 H413 A418 L419L410-M415 HydrophobicContact CB-CB 4.32Å; P411-M415 PolarHBondContact O-N 3.28Å; K412-M415 PolarHBondContact O-N 3.19Å; H413-M415 VanDerWaalsContact C-N 3.33Å; M415-A418 PolarHBondContact O-N 3.28Å; M415-L419 HydrophobicContact CE-CD1 4.32Å; M415-L419 HydrophobicContact CG-CD1 3.93Å; M415-L419 HydrophobicContact CG-CG 4.46Å; M415-L419 WeakPolarHBondContact O-CB 3.08Å; M415-L419 WeakPolarHBondContact O-CG 3.41Å; M415-L419 PolarHBondContact O-N 3.22Å
416Q81.8Confident79.5Confident82 Ų8259.6 Ų59.638%0.38330%0.3SS..Hα-helixtrans-62.1-46.3174.8-175.8175.27.400111.8K412 H413 A418 L419 I420 Y484K412-Q416 PolarHBondContact O-N 3.08Å; H413-Q416 PolarHBondContact O-N 3.37Å; Q416-A418 VanDerWaalsContact C-N 3.33Å; Q416-A418 PolarHBondContact O-N 2.68Å; Q416-L419 PolarHBondContact O-N 2.92Å; Q416-I420 HydrophobicContact CG-CD1 3.97Å; Q416-I420 VanDerWaalsContact O-CG1 3.27Å; Q416-I420 WeakPolarHBondContact O-CG1 3.4Å; Q416-I420 PolarHBondContact O-N 3.4Å; Q416-Y484 HydrophobicContact CB-CD1 4.03Å; Q416-Y484 HydrophobicContact CB-CE1 3.81Å; Q416-Y484 HydrophobicContact CG-CD1 3.69Å; Q416-Y484 HydrophobicContact CG-CE1 4.02Å
417R84Confident80.1Confident147 Ų14759.8 Ų59.856%0.55531%0.305SS*.Hα-helixtrans-61.1-42.8175.9-73.6-178.6175.7-169.2-1.4112.1F367 H413 D414 L419 I420 A421F367-R417 HydrophobicContact CD2-CB 4.28Å; H413-R417 PolarHBondContact CE1-NE 2.94Å; H413-R417 PolarHBondContact CE1-NH2 3.34Å; H413-R417 PolarHBondContact NE2-NE 3.46Å; H413-R417 PolarHBondContact NE2-NH2 3.01Å; H413-R417 WeakPolarHBondContact O-CG 3.27Å; H413-R417 PolarHBondContact O-N 3.47Å; D414-R417 PolarHBondContact O-N 3.18Å; R417-L419 VanDerWaalsContact C-N 3.35Å; R417-I420 PolarHBondContact O-N 3.37Å; R417-A421 WeakPolarHBondContact O-CB 3.5Å; R417-A421 PolarHBondContact O-N 3.47Å
418A84.2Confident81Confident0 Ų062.4 Ų62.40%031%0.314CS..Hα-helixtrans-64.9-39.5178.200000111.6F367 F388 D414 M415 Q416 A421 L422F367-A418 HydrophobicContact CB-CB 4.37Å; F367-A418 HydrophobicContact CD1-CB 3.61Å; F367-A418 HydrophobicContact CD2-CB 3.69Å; F367-A418 HydrophobicContact CE1-CB 3.7Å; F367-A418 HydrophobicContact CE2-CB 3.77Å; F367-A418 HydrophobicContact CG-CB 3.61Å; F367-A418 HydrophobicContact CZ-CB 3.77Å; F388-A418 HydrophobicContact CE1-CB 3.48Å; F388-A418 VanDerWaalsContact CE1-CB 3.48Å; F388-A418 HydrophobicContact CZ-CB 3.73Å; D414-A418 WeakPolarHBondContact O-CB 3.35Å; D414-A418 PolarHBondContact O-N 3.1Å; M415-A418 PolarHBondContact O-N 3.28Å; Q416-A418 VanDerWaalsContact C-N 3.33Å; Q416-A418 PolarHBondContact O-N 2.68Å; A418-A421 PolarHBondContact O-N 2.98Å; A418-L422 WeakPolarHBondContact O-CB 3.34Å; A418-L422 PolarHBondContact O-N 3.49Å
419L83Confident82Confident6 Ų656.8 Ų56.83%0.03128%0.279CS..Hα-helixtrans-73.4-35.4177.5-71.1171000112.7F388 L391 M415 Q416 R417 L422 T423 Y484F388-L419 HydrophobicContact CD1-CD2 3.83Å; F388-L419 HydrophobicContact CD1-CG 4.34Å; F388-L419 HydrophobicContact CE1-CD2 3.88Å; F388-L419 HydrophobicContact CE1-CG 4.11Å; F388-L419 HydrophobicContact CG-CD2 4.4Å; L391-L419 HydrophobicContact CD1-CD2 3.9Å; M415-L419 HydrophobicContact CE-CD1 4.32Å; M415-L419 HydrophobicContact CG-CD1 3.93Å; M415-L419 HydrophobicContact CG-CG 4.46Å; M415-L419 WeakPolarHBondContact O-CB 3.08Å; M415-L419 WeakPolarHBondContact O-CG 3.41Å; M415-L419 PolarHBondContact O-N 3.22Å; Q416-L419 PolarHBondContact O-N 2.92Å; R417-L419 VanDerWaalsContact C-N 3.35Å; L419-L422 HydrophobicContact CD2-CD2 4.04Å; L419-L422 CarbonylContact O-C 3.56Å; L419-L422 PolarHBondContact O-N 3.1Å; L419-T423 WeakPolarHBondContact O-CG2 3.34Å; L419-T423 PolarHBondContact O-N 3.06Å; L419-T423 PolarHBondContact O-OG1 3.03Å; L419-Y484 HydrophobicContact CB-CD2 4.46Å; L419-Y484 HydrophobicContact CD1-CD2 3.67Å; L419-Y484 HydrophobicContact CD1-CE2 3Å; L419-Y484 HydrophobicContact CG-CE2 4.33Å
420I85.3Confident83.1Confident94 Ų9449.4 Ų49.448%0.48224%0.243SC..Hα-helixtrans-61.5-47.5171-68.8164.9000109.9Q416 R417 L422 T423 S424Q416-I420 HydrophobicContact CG-CD1 3.97Å; Q416-I420 VanDerWaalsContact O-CG1 3.27Å; Q416-I420 WeakPolarHBondContact O-CG1 3.4Å; Q416-I420 PolarHBondContact O-N 3.4Å; R417-I420 PolarHBondContact O-N 3.37Å; I420-L422 VanDerWaalsContact C-N 3.27Å; I420-L422 PolarHBondContact O-N 2.85Å; I420-T423 WeakPolarHBondContact CA-OG1 3.37Å; I420-T423 PolarHBondContact O-N 3.45Å; I420-T423 VanDerWaalsContact O-N 3.14Å; I420-T423 PolarHBondContact O-OG1 3.14Å; I420-S424 PolarHBondContact O-N 3.37Å; I420-S424 VanDerWaalsContact O-N 3.07Å
421A85Confident83.8Confident6 Ų651.5 Ų51.55%0.0526%0.258CS..Hα-helixtrans-66.2-30176.700000112.4F367 F371 R417 A418 S424 F425F367-A421 HydrophobicContact CB-CB 4Å; F371-A421 HydrophobicContact CD2-CB 3.63Å; F371-A421 WeakPolarHBondContact CD2-O 3.44Å; F371-A421 HydrophobicContact CE2-CB 3.8Å; R417-A421 WeakPolarHBondContact O-CB 3.5Å; R417-A421 PolarHBondContact O-N 3.47Å; A418-A421 PolarHBondContact O-N 2.98Å; A421-S424 PolarHBondContact O-OG 3.23Å; A421-F425 WeakPolarHBondContact O-CB 3.5Å; A421-F425 PolarHBondContact O-N 3.32Å
422L86.9Confident84.1Confident0 Ų052.6 Ų52.60%026%0.26CS..Hα-helixtrans-69.6-41.2170.7-177.867.6000111.1F371 V384 F388 L391 A418 L419 I420 S424 F425 L426F371-L422 HydrophobicContact CE2-CB 4.28Å; F371-L422 HydrophobicContact CZ-CB 4.42Å; F371-L422 HydrophobicContact CZ-CD1 4.43Å; V384-L422 HydrophobicContact CG1-CD1 4.08Å; F388-L422 HydrophobicContact CD2-CD2 3.79Å; F388-L422 HydrophobicContact CE2-CB 4.1Å; F388-L422 HydrophobicContact CE2-CD1 4.01Å; F388-L422 HydrophobicContact CE2-CD2 3.7Å; F388-L422 HydrophobicContact CE2-CG 4.14Å; F388-L422 HydrophobicContact CG-CD2 4.39Å; F388-L422 HydrophobicContact CZ-CB 4.09Å; F388-L422 HydrophobicContact CZ-CD2 4.22Å; L391-L422 HydrophobicContact CD1-CD2 3.54Å; A418-L422 WeakPolarHBondContact O-CB 3.34Å; A418-L422 PolarHBondContact O-N 3.49Å; L419-L422 HydrophobicContact CD2-CD2 4.04Å; L419-L422 CarbonylContact O-C 3.56Å; L419-L422 PolarHBondContact O-N 3.1Å; I420-L422 VanDerWaalsContact C-N 3.27Å; I420-L422 PolarHBondContact O-N 2.85Å; L422-S424 VanDerWaalsContact C-N 3.33Å; L422-S424 PolarHBondContact O-N 3.02Å; L422-F425 HydrophobicContact CD1-CD1 4.21Å; L422-F425 WeakPolarHBondContact O-CB 3.15Å; L422-F425 PolarHBondContact O-N 3.23Å; L422-L426 HydrophobicContact CD1-CD1 4.17Å; L422-L426 HydrophobicContact CD1-CD2 4.4Å; L422-L426 HydrophobicContact CD1-CG 3.97Å; L422-L426 HydrophobicContact CD2-CD1 4.1Å; L422-L426 HydrophobicContact CG-CD1 3.76Å; L422-L426 HydrophobicContact CG-CG 3.97Å; L422-L426 WeakPolarHBondContact O-CB 3.46Å; L422-L426 VanDerWaalsContact O-CG 3.29Å; L422-L426 WeakPolarHBondContact O-CG 3.34Å; L422-L426 PolarHBondContact O-N 3.31Å
423T85.7Confident84.4Confident27 Ų2744.6 Ų44.617%0.16623%0.226CC..Hα-helixtrans-64.1-37.8178.854.20000112L419 I420 S427 L477 C480 Y481L419-T423 WeakPolarHBondContact O-CG2 3.34Å; L419-T423 PolarHBondContact O-N 3.06Å; L419-T423 PolarHBondContact O-OG1 3.03Å; I420-T423 WeakPolarHBondContact CA-OG1 3.37Å; I420-T423 PolarHBondContact O-N 3.45Å; I420-T423 VanDerWaalsContact O-N 3.14Å; I420-T423 PolarHBondContact O-OG1 3.14Å; T423-S427 WeakPolarHBondContact O-CB 3.27Å; T423-S427 PolarHBondContact O-N 3.1Å; T423-S427 PolarHBondContact O-OG 2.92Å; T423-L477 HydrophobicContact CG2-CD2 4.17Å; T423-C480 HydrophobicContact CG2-CB 3.71Å; T423-Y481 HydrophobicContact CG2-CD1 4.27Å; T423-Y481 HydrophobicContact CG2-CE1 3.8Å
424S86.5Confident84.5Confident44 Ų4440.2 Ų40.231%0.30821%0.207SC..Hα-helixtrans-63.4-48.3173.657.70000110.8I420 A421 L422 S427 E428I420-S424 PolarHBondContact O-N 3.37Å; I420-S424 VanDerWaalsContact O-N 3.07Å; A421-S424 PolarHBondContact O-OG 3.23Å; L422-S424 VanDerWaalsContact C-N 3.33Å; L422-S424 PolarHBondContact O-N 3.02Å; S424-S427 PolarHBondContact O-N 3.2Å; S424-S427 PolarHBondContact O-OG 3.42Å; S424-E428 PolarHBondContact O-N 3.08Å
425F86.8Confident84.5Confident6 Ų647.4 Ų47.43%0.02623%0.233CC..Hα-helixtrans-57.8-49.5175176.6-102000113.2F371 C375 V384 A421 L422 S427 E428 I429F371-F425 HydrophobicContact CB-CB 4.12Å; F371-F425 HydrophobicContact CB-CD2 4.07Å; F371-F425 HydrophobicContact CB-CG 4.24Å; F371-F425 HydrophobicContact CG-CB 4.37Å; C375-F425 HydrophobicContact CB-CD2 4.16Å; C375-F425 HydrophobicContact CB-CE2 4.02Å; V384-F425 HydrophobicContact CB-CE1 3.69Å; V384-F425 HydrophobicContact CB-CZ 4.12Å; V384-F425 HydrophobicContact CG1-CD1 3.93Å; V384-F425 HydrophobicContact CG1-CE1 3.49Å; V384-F425 VanDerWaalsContact CG1-CE1 3.49Å; V384-F425 HydrophobicContact CG1-CZ 4.04Å; V384-F425 HydrophobicContact CG2-CE1 3.85Å; V384-F425 HydrophobicContact CG2-CZ 3.73Å; A421-F425 WeakPolarHBondContact O-CB 3.5Å; A421-F425 PolarHBondContact O-N 3.32Å; L422-F425 HydrophobicContact CD1-CD1 4.21Å; L422-F425 WeakPolarHBondContact O-CB 3.15Å; L422-F425 PolarHBondContact O-N 3.23Å; F425-S427 VanDerWaalsContact C-N 3.32Å; F425-S427 PolarHBondContact O-N 3.32Å; F425-E428 PolarHBondContact O-N 3.32Å; F425-I429 HydrophobicContact CD1-CD1 3.71Å; F425-I429 HydrophobicContact CD2-CD1 4.14Å; F425-I429 HydrophobicContact CE1-CD1 3.16Å; F425-I429 HydrophobicContact CE1-CG1 4.48Å; F425-I429 HydrophobicContact CE2-CD1 3.65Å; F425-I429 HydrophobicContact CG-CD1 4.18Å; F425-I429 HydrophobicContact CZ-CD1 3.15Å; F425-I429 HydrophobicContact CZ-CG1 4.39Å; F425-I429 WeakPolarHBondContact O-CG1 3.4Å; F425-I429 PolarHBondContact O-N 2.96Å
426L87.1Confident84.5Confident0 Ų051 Ų510%024%0.244CC..Hα-helixtrans-65.6-35.1179.4-71.8-179.4000111.9V381 I385 L422 I429 R430 V473 L477V381-L426 HydrophobicContact CG1-CD2 3.86Å; I385-L426 HydrophobicContact CD1-CD2 3.94Å; I385-L426 HydrophobicContact CG1-CD2 3.91Å; L422-L426 HydrophobicContact CD1-CD1 4.17Å; L422-L426 HydrophobicContact CD1-CD2 4.4Å; L422-L426 HydrophobicContact CD1-CG 3.97Å; L422-L426 HydrophobicContact CD2-CD1 4.1Å; L422-L426 HydrophobicContact CG-CD1 3.76Å; L422-L426 HydrophobicContact CG-CG 3.97Å; L422-L426 WeakPolarHBondContact O-CB 3.46Å; L422-L426 VanDerWaalsContact O-CG 3.29Å; L422-L426 WeakPolarHBondContact O-CG 3.34Å; L422-L426 PolarHBondContact O-N 3.31Å; L426-I429 PolarHBondContact O-N 3.19Å; L426-R430 WeakPolarHBondContact O-CB 3.49Å; L426-R430 PolarHBondContact O-N 2.89Å; L426-V473 HydrophobicContact CB-CG1 4.25Å; L426-V473 HydrophobicContact CD2-CG1 4.36Å; L426-V473 HydrophobicContact CD2-CG2 4.22Å; L426-L477 HydrophobicContact CB-CD1 4.35Å; L426-L477 HydrophobicContact CB-CD2 3.63Å; L426-L477 HydrophobicContact CB-CG 3.95Å; L426-L477 HydrophobicContact CD1-CD2 4.07Å; L426-L477 HydrophobicContact CD1-CG 4.18Å
427S85.4Confident84.5Confident47 Ų4747.9 Ų47.933%0.32923%0.23SC..Hα-helixtrans-67.1-41.4175.874.80000112.1T423 S424 F425 I429 R430 T431T423-S427 WeakPolarHBondContact O-CB 3.27Å; T423-S427 PolarHBondContact O-N 3.1Å; T423-S427 PolarHBondContact O-OG 2.92Å; S424-S427 PolarHBondContact O-N 3.2Å; S424-S427 PolarHBondContact O-OG 3.42Å; F425-S427 VanDerWaalsContact C-N 3.32Å; F425-S427 PolarHBondContact O-N 3.32Å; S427-I429 VanDerWaalsContact C-N 3.34Å; S427-R430 PolarHBondContact O-N 2.79Å; S427-T431 WeakPolarHBondContact O-CG2 3.18Å; S427-T431 PolarHBondContact O-N 3.48Å; S427-T431 PolarHBondContact O-OG1 2.84Å
428E85.5Confident84.3Confident95 Ų9544.2 Ų44.244%0.44422%0.221SC..Hα-helixtrans-65.4-39.5175.1-170.6177.7-176.600111.1C375 S424 F425 T431 N432C375-E428 PolarHBondContact SG-OE2 3.46Å; S424-E428 PolarHBondContact O-N 3.08Å; F425-E428 PolarHBondContact O-N 3.32Å; E428-T431 WeakPolarHBondContact CA-OG1 3.44Å; E428-T431 PolarHBondContact O-OG1 3.16Å; E428-N432 WeakPolarHBondContact O-CB 3.16Å; E428-N432 PolarHBondContact O-N 3.41Å; E428-N432 VanDerWaalsContact O-N 3.08Å; E428-N432 PolarHBondContact O-ND2 3.46Å
429I84.6Confident84Confident22 Ų2247.1 Ų47.111%0.11324%0.237CC..Hα-helixtrans-67.5-46.3174.8-72.8174.2000111.5V381 F425 L426 S427 T431 N432 I433 V473V381-I429 HydrophobicContact CG1-CD1 4.42Å; V381-I429 HydrophobicContact CG1-CG2 4.42Å; V381-I429 HydrophobicContact CG2-CD1 4.19Å; V381-I429 HydrophobicContact CG2-CG2 3.79Å; F425-I429 HydrophobicContact CD1-CD1 3.71Å; F425-I429 HydrophobicContact CD2-CD1 4.14Å; F425-I429 HydrophobicContact CE1-CD1 3.16Å; F425-I429 HydrophobicContact CE1-CG1 4.48Å; F425-I429 HydrophobicContact CE2-CD1 3.65Å; F425-I429 HydrophobicContact CG-CD1 4.18Å; F425-I429 HydrophobicContact CZ-CD1 3.15Å; F425-I429 HydrophobicContact CZ-CG1 4.39Å; F425-I429 WeakPolarHBondContact O-CG1 3.4Å; F425-I429 PolarHBondContact O-N 2.96Å; L426-I429 PolarHBondContact O-N 3.19Å; S427-I429 VanDerWaalsContact C-N 3.34Å; I429-T431 VanDerWaalsContact C-N 3.33Å; I429-T431 PolarHBondContact O-N 3.5Å; I429-N432 PolarHBondContact O-N 2.98Å; I429-I433 HydrophobicContact CG2-CD1 3.53Å; I429-I433 HydrophobicContact CG2-CG1 4.13Å; I429-I433 WeakPolarHBondContact O-CG1 3.42Å; I429-I433 PolarHBondContact O-N 3.45Å; I429-V473 HydrophobicContact CG2-CG2 4.36Å
430R86.6Confident83.6Confident23 Ų2348.7 Ų48.79%0.08724%0.244CC..Hα-helixtrans-55.1-50.4177.6-174.1-167.2178.4-80.3-7.6110.5L426 S427 N432 I433 A434 L470 V473 D474 L495 D497L426-R430 WeakPolarHBondContact O-CB 3.49Å; L426-R430 PolarHBondContact O-N 2.89Å; S427-R430 PolarHBondContact O-N 2.79Å; R430-N432 VanDerWaalsContact C-N 3.33Å; R430-N432 PolarHBondContact O-N 3.48Å; R430-I433 PolarHBondContact O-N 3.45Å; R430-A434 VanDerWaalsContact O-CB 3.24Å; R430-A434 WeakPolarHBondContact O-CB 3.2Å; R430-A434 PolarHBondContact O-N 3.47Å; R430-L470 HydrophobicContact CB-CD1 4.48Å; R430-L470 HydrophobicContact CG-CD1 3.7Å; R430-V473 HydrophobicContact CB-CG1 3.88Å; R430-V473 HydrophobicContact CG-CG1 4.38Å; R430-D474 WeakPolarHBondContact CD-OD1 3.28Å; R430-D474 IonicContact CZ-OD1 3.97Å; R430-D474 IonicContact NE-OD1 3.6Å; R430-D474 PolarHBondContact NE-OD1 3.47Å; R430-D474 IonicContact NE-OD2 2.65Å; R430-L495 VanDerWaalsContact CZ-CD1 3.41Å; R430-D497 IonicContact CZ-OD1 3.62Å; R430-D497 IonicContact CZ-OD2 3.65Å; R430-D497 IonicContact NH1-OD1 2.66Å; R430-D497 IonicContact NH1-OD2 2.68Å; R430-D497 IonicContact NH2-OD1 2.77Å; R430-D497 PolarHBondContact NH2-OD1 3.03Å; R430-D497 IonicContact NH2-OD2 2.64Å; R430-D497 PolarHBondContact NH2-OD2 3.05Å
431T85.4Confident83.1Confident78 Ų7849.9 Ų49.948%0.47925%0.245SC..Hα-helixtrans-61.3-40.3178.750.70000112.2S427 E428 I429 R435S427-T431 WeakPolarHBondContact O-CG2 3.18Å; S427-T431 PolarHBondContact O-N 3.48Å; S427-T431 PolarHBondContact O-OG1 2.84Å; E428-T431 WeakPolarHBondContact CA-OG1 3.44Å; E428-T431 PolarHBondContact O-OG1 3.16Å; I429-T431 VanDerWaalsContact C-N 3.33Å; I429-T431 PolarHBondContact O-N 3.5Å; T431-R435 WeakPolarHBondContact O-CB 3.34Å; T431-R435 PolarHBondContact O-N 3.43Å
432N83.4Confident82.5Confident81 Ų8156.5 Ų56.543%0.43327%0.273SS..Hα-helixtrans-66.1-42.7174.7-80.3-46000113E428 I429 R430 R436E428-N432 WeakPolarHBondContact O-CB 3.16Å; E428-N432 PolarHBondContact O-N 3.41Å; E428-N432 VanDerWaalsContact O-N 3.08Å; E428-N432 PolarHBondContact O-ND2 3.46Å; I429-N432 PolarHBondContact O-N 2.98Å; R430-N432 VanDerWaalsContact C-N 3.33Å; R430-N432 PolarHBondContact O-N 3.48Å; N432-R436 WeakPolarHBondContact O-CB 3.42Å; N432-R436 WeakPolarHBondContact O-CG 3.48Å; N432-R436 PolarHBondContact O-N 3.3Å; N432-R436 VanDerWaalsContact O-N 3.12Å
433I81.7Confident81.5Confident18 Ų1859.4 Ų59.49%0.09229%0.293CS..Hα-helixtrans-66.3-50.4177.7-67.6173.5000110.4I429 R430 R435 R436 L437 M466 L470I429-I433 HydrophobicContact CG2-CD1 3.53Å; I429-I433 HydrophobicContact CG2-CG1 4.13Å; I429-I433 WeakPolarHBondContact O-CG1 3.42Å; I429-I433 PolarHBondContact O-N 3.45Å; R430-I433 PolarHBondContact O-N 3.45Å; I433-R435 PolarHBondContact O-N 2.86Å; I433-R436 PolarHBondContact O-N 3.19Å; I433-L437 HydrophobicContact CG2-CD1 3.93Å; I433-L437 HydrophobicContact CG2-CG 4.43Å; I433-L437 WeakPolarHBondContact O-CG 3.27Å; I433-L437 PolarHBondContact O-N 3.41Å; I433-M466 HydrophobicContact CB-CE 4.26Å; I433-M466 HydrophobicContact CG1-CE 4.43Å; I433-M466 HydrophobicContact CG2-CB 4.35Å; I433-M466 HydrophobicContact CG2-CE 3.82Å; I433-L470 HydrophobicContact CB-CD1 4.33Å; I433-L470 HydrophobicContact CG2-CB 4.03Å; I433-L470 HydrophobicContact CG2-CD1 4.04Å; I433-L470 HydrophobicContact CG2-CD2 4.48Å; I433-L470 HydrophobicContact CG2-CG 4.42Å
434A82.5Confident80.5Confident8 Ų864.9 Ų64.97%0.06632%0.315CS..Hα-helixtrans-57.9-47.5178.200000111.3R430 R436 L437 D438 D497R430-A434 VanDerWaalsContact O-CB 3.24Å; R430-A434 WeakPolarHBondContact O-CB 3.2Å; R430-A434 PolarHBondContact O-N 3.47Å; A434-R436 VanDerWaalsContact C-N 3.31Å; A434-R436 PolarHBondContact O-N 2.94Å; A434-L437 PolarHBondContact O-N 3.33Å; A434-D438 WeakPolarHBondContact O-CB 3.25Å; A434-D438 PolarHBondContact O-N 3.14Å; A434-D497 VanDerWaalsContact CB-OD2 3.24Å; A434-D497 WeakPolarHBondContact CB-OD2 3.43Å
435R83.3Confident79.3Confident172 Ų17269 Ų6965%0.64933%0.332SS*.Hα-helixtrans-58.5-41.3176.9-176.4178.1179.3173.81.3112.2T431 I433 L439T431-R435 WeakPolarHBondContact O-CB 3.34Å; T431-R435 PolarHBondContact O-N 3.43Å; I433-R435 PolarHBondContact O-N 2.86Å; R435-L439 HydrophobicContact CG-CD1 4.19Å; R435-L439 WeakPolarHBondContact O-CB 3Å; R435-L439 WeakPolarHBondContact O-CD1 3.26Å; R435-L439 WeakPolarHBondContact O-CG 3.42Å; R435-L439 PolarHBondContact O-N 2.7Å
436R80.5Confident77.9Confident114 Ų11473.6 Ų73.643%0.4336%0.357SS..Hα-helixtrans-68.3-41.2177.1-81.7179.7142.8-161.7-9.9112.3N432 I433 A434 L439 H440 L457 M466N432-R436 WeakPolarHBondContact O-CB 3.42Å; N432-R436 WeakPolarHBondContact O-CG 3.48Å; N432-R436 PolarHBondContact O-N 3.3Å; N432-R436 VanDerWaalsContact O-N 3.12Å; I433-R436 PolarHBondContact O-N 3.19Å; A434-R436 VanDerWaalsContact C-N 3.31Å; A434-R436 PolarHBondContact O-N 2.94Å; R436-L439 PolarHBondContact O-N 2.88Å; R436-H440 WeakPolarHBondContact O-CB 3.47Å; R436-H440 PolarHBondContact O-N 3.34Å; R436-L457 HydrophobicContact CB-CD1 4.37Å; R436-M466 HydrophobicContact CB-CE 3.63Å
437L81.1Confident76.4Confident17 Ų1779.1 Ų79.19%0.08939%0.392CS..Hα-helixtrans-65-40175.5-71.7172.9000111.8I433 A434 H440 K441 V463 M466 R467 L470I433-L437 HydrophobicContact CG2-CD1 3.93Å; I433-L437 HydrophobicContact CG2-CG 4.43Å; I433-L437 WeakPolarHBondContact O-CG 3.27Å; I433-L437 PolarHBondContact O-N 3.41Å; A434-L437 PolarHBondContact O-N 3.33Å; L437-H440 PolarHBondContact O-N 2.96Å; L437-K441 WeakPolarHBondContact O-CG 3.15Å; L437-K441 PolarHBondContact O-N 2.85Å; L437-V463 HydrophobicContact CD2-CG1 3.99Å; L437-M466 HydrophobicContact CD2-CB 4.2Å; L437-M466 HydrophobicContact CG-CE 4.23Å; L437-R467 HydrophobicContact CD1-CG 4.28Å; L437-R467 HydrophobicContact CD2-CG 4.41Å; L437-L470 HydrophobicContact CD1-CD2 3.97Å
438D80.3Confident74.9Confident70 Ų7082 Ų8237%0.37441%0.412SS..Hα-helixtrans-67.1-41.8176.4-79.8-15.5000112.5A434 H440 K441 K442A434-D438 WeakPolarHBondContact O-CB 3.25Å; A434-D438 PolarHBondContact O-N 3.14Å; D438-H440 VanDerWaalsContact C-N 3.27Å; D438-H440 PolarHBondContact O-N 3.13Å; D438-K441 PolarHBondContact O-N 3Å; D438-K442 WeakPolarHBondContact O-CB 3.33Å; D438-K442 WeakPolarHBondContact O-CG 3.47Å; D438-K442 PolarHBondContact O-N 3.47Å
439L77.2Confident73.2Confident61 Ų6183.3 Ų83.332%0.31942%0.421SS..Hα-helixtrans-59.9-40.4172.7-75.5168.2000111.1R435 R436 K442 S443R435-L439 HydrophobicContact CG-CD1 4.19Å; R435-L439 WeakPolarHBondContact O-CB 3Å; R435-L439 WeakPolarHBondContact O-CD1 3.26Å; R435-L439 WeakPolarHBondContact O-CG 3.42Å; R435-L439 PolarHBondContact O-N 2.7Å; R436-L439 PolarHBondContact O-N 2.88Å; L439-K442 PolarHBondContact O-N 2.89Å; L439-S443 WeakPolarHBondContact O-CB 3.5Å; L439-S443 PolarHBondContact O-N 3.09Å
440H75.2Confident71.1Confident39 Ų3986.3 Ų86.318%0.18146%0.458CS..Hα-helixtrans-68.1-40.6176.4-173.3-92.7000112.5R436 L437 D438 S443 K444 L457R436-H440 WeakPolarHBondContact O-CB 3.47Å; R436-H440 PolarHBondContact O-N 3.34Å; L437-H440 PolarHBondContact O-N 2.96Å; D438-H440 VanDerWaalsContact C-N 3.27Å; D438-H440 PolarHBondContact O-N 3.13Å; H440-S443 PolarHBondContact O-N 3.38Å; H440-K444 PolarHBondContact O-N 3.11Å; H440-L457 HydrophobicContact CB-CD1 3.97Å
441K74.1Confident69Low119 Ų11988 Ų8852%0.51747%0.47SS..Hα-helixtrans-60.8-46.9172.9-74.2-179.9-176.6174.30111.2L437 D438 S443 K444 I445L437-K441 WeakPolarHBondContact O-CG 3.15Å; L437-K441 PolarHBondContact O-N 2.85Å; D438-K441 PolarHBondContact O-N 3Å; K441-S443 VanDerWaalsContact C-N 3.34Å; K441-S443 PolarHBondContact O-N 3.37Å; K441-K444 PolarHBondContact O-N 2.94Å; K441-K444 VanDerWaalsContact O-N 3.15Å; K441-I445 WeakPolarHBondContact O-CG1 3.11Å; K441-I445 PolarHBondContact O-N 3.3Å
442K72.6Confident67Low146 Ų14686.6 Ų86.664%0.63547%0.471SS*.Hα-helixtrans-63.5-38.1178.1-72.9179.2-179.5-179.70112.3D438 L439 K444 I445 L446D438-K442 WeakPolarHBondContact O-CB 3.33Å; D438-K442 WeakPolarHBondContact O-CG 3.47Å; D438-K442 PolarHBondContact O-N 3.47Å; L439-K442 PolarHBondContact O-N 2.89Å; K442-K444 PolarHBondContact O-N 2.98Å; K442-I445 PolarHBondContact O-N 3.33Å; K442-I445 VanDerWaalsContact O-N 3.12Å; K442-L446 PolarHBondContact O-N 2.94Å
443S65.2Low65.2Low61 Ų6191.1 Ų91.143%0.42749%0.49SS..Hα-helixtrans-63.3-26.7175.3-1760000113.5L439 H440 K441L439-S443 WeakPolarHBondContact O-CB 3.5Å; L439-S443 PolarHBondContact O-N 3.09Å; H440-S443 PolarHBondContact O-N 3.38Å; K441-S443 VanDerWaalsContact C-N 3.34Å; K441-S443 PolarHBondContact O-N 3.37Å
444K65.1Low63.6Low142 Ų14295.8 Ų95.862%0.61752%0.524SS*.Hα-helixtrans-76.8-27.3173.8-74.7-166.3174.6-171.20113H440 K441 K442H440-K444 PolarHBondContact O-N 3.11Å; K441-K444 PolarHBondContact O-N 2.94Å; K441-K444 VanDerWaalsContact O-N 3.15Å; K442-K444 PolarHBondContact O-N 2.98Å
445I62.7Low62.1Low131 Ų13199.3 Ų99.367%0.67254%0.541SS*.Hα-helixtrans-91.6-34.2-175.6-54.8168.7000111.2K441 K442K441-I445 WeakPolarHBondContact O-CG1 3.11Å; K441-I445 PolarHBondContact O-N 3.3Å; K442-I445 PolarHBondContact O-N 3.33Å; K442-I445 VanDerWaalsContact O-N 3.12Å
446L56.4Low60.5Low102 Ų10297.1 Ų97.153%0.53454%0.537SS..  trans-130.2103.2173.4-82.594.6000111K442 S448K442-L446 PolarHBondContact O-N 2.94Å; L446-S448 PolarHBondContact O-N 3.17Å; L446-S448 VanDerWaalsContact O-N 3.16Å
447P56.3Low59.4Low115 Ų11592.7 Ų92.775%0.74752%0.521SS*.THydrogen-bonded Turntrans-66.8-12178.4-18.430.5000114.6
448S52.6Low58.4Low107 Ų10797 Ų9775%0.74855%0.553SS**THydrogen-bonded Turntrans-90.2-3-160.1-28.70000115.7L446L446-S448 PolarHBondContact O-N 3.17Å; L446-S448 VanDerWaalsContact O-N 3.16Å
449I51Low57.7Low124 Ų12495.7 Ų95.764%0.63655%0.549SS*.SBendtrans-95.2111.2178.9-56.3178.1000108.2V451I449-V451 HydrophobicContact CB-CG2 4.39Å; I449-V451 HydrophobicContact CG2-CG2 3.8Å; I449-V451 PolarHBondContact O-N 3.43Å
450G39.4Very low57.6Low85 Ų85100.4 Ų100.488%0.87657%0.57SS**  trans-63.976.1173.800000111.7
451V44.1Very low57.6Low58 Ų58105.4 Ų105.435%0.35259%0.593SS.*  trans-85.2122.2169.7-173.20000107.2I449 L455I449-V451 HydrophobicContact CB-CG2 4.39Å; I449-V451 HydrophobicContact CG2-CG2 3.8Å; I449-V451 PolarHBondContact O-N 3.43Å; V451-L455 HydrophobicContact CG1-CB 4.35Å; V451-L455 HydrophobicContact CG1-CD1 4.15Å
452G42.2Very low57.7Low49 Ų49103.5 Ų103.551%0.50559%0.586SS.*  trans-47.3140.5-173.400000113.7S454 L455G452-S454 PolarHBondContact O-N 2.99Å; G452-L455 PolarHBondContact O-N 3.17Å; G452-L455 VanDerWaalsContact O-N 3.13Å
453E45.3Very low58Low175 Ų17596.9 Ų96.982%0.81856%0.558SS**G310 helixtrans-50.9-23.7-172.9-78.5175.1145.100114.6L455E453-L455 PolarHBondContact O-N 3.25Å
454S49Very low58.7Low116 Ų11695.9 Ų95.981%0.81155%0.553SS**G310 helixtrans-73.2-3.3-178.9-46.30000115.4G452G452-S454 PolarHBondContact O-N 2.99Å
455L51.5Low59.5Low82 Ų8294.9 Ų94.943%0.42955%0.55SS.*G310 helixtrans-116.3-2.4-178.6-73.5164.4000114.3V451 G452 E453 L457V451-L455 HydrophobicContact CG1-CB 4.35Å; V451-L455 HydrophobicContact CG1-CD1 4.15Å; G452-L455 PolarHBondContact O-N 3.17Å; G452-L455 VanDerWaalsContact O-N 3.13Å; E453-L455 PolarHBondContact O-N 3.25Å; L455-L457 PolarHBondContact O-N 3.07Å
456K49.6Very low60.3Low127 Ų12789.9 Ų89.955%0.55253%0.525SS*.  trans-76.5110.8176.8-72.5-177.9178.1177.70109.8S458K456-S458 PolarHBondContact O-N 2.71Å; K456-S458 PolarHBondContact O-OG 3.14Å
457L57.7Low61.6Low21 Ų2191.4 Ų91.411%0.1152%0.523CS..  trans-58.7118.5161.1-87.4132.4000107.6R436 H440 L455 E462 V463 M466R436-L457 HydrophobicContact CB-CD1 4.37Å; H440-L457 HydrophobicContact CB-CD1 3.97Å; L455-L457 PolarHBondContact O-N 3.07Å; L457-E462 HydrophobicContact CD2-CB 3.65Å; L457-V463 HydrophobicContact CB-CG2 4.08Å; L457-V463 HydrophobicContact CD2-CG2 3.86Å; L457-V463 HydrophobicContact CG-CG2 4.41Å; L457-M466 HydrophobicContact CD1-CE 4.48Å; L457-M466 HydrophobicContact CD1-SD 3.97Å; L457-M466 HydrophobicContact CD2-CG 4.47Å; L457-M466 HydrophobicContact CD2-SD 3.37Å; L457-M466 WeakPolarHBondContact CD2-SD 3.34Å; L457-M466 HydrophobicContact CG-SD 4.12Å
458S59.5Low62.8Low107 Ų10790.3 Ų90.375%0.74851%0.511SS*.  trans-95.9-20.8-165.6-570000112.4K456 E462K456-S458 PolarHBondContact O-N 2.71Å; K456-S458 PolarHBondContact O-OG 3.14Å; S458-E462 PolarHBondContact N-OE2 2.74Å; S458-E462 VanDerWaalsContact N-OE2 3.08Å
459S65.8Low64.3Low42 Ų4286.7 Ų86.729%0.29449%0.486SS..  trans-130.9147.3-175.966.50000112.5E461 E462 V463S459-E461 PolarHBondContact O-N 3.01Å; S459-E462 PolarHBondContact O-N 3.23Å; S459-E462 WeakPolarHBondContact OG-CB 3.37Å; S459-E462 WeakPolarHBondContact OG-CG 3.46Å; S459-E462 PolarHBondContact OG-N 3.09Å; S459-V463 PolarHBondContact O-N 3.25Å
460E74.2Confident65.9Low161 Ų16181 Ų8175%0.75246%0.457SS*.Hα-helixtrans-62.4-28.2172.8-71.1-168.1149.400112.2V463 A464E460-V463 PolarHBondContact O-N 2.77Å; E460-A464 WeakPolarHBondContact O-CB 3.23Å; E460-A464 PolarHBondContact O-N 3.5Å
461E76.3Confident68.1Low144 Ų14480 Ų8067%0.67343%0.429SS*.Hα-helixtrans-64.4-44.2174.9-66.1-179.4175.800112S459 V463 A464 Q465S459-E461 PolarHBondContact O-N 3.01Å; E461-V463 VanDerWaalsContact C-N 3.29Å; E461-V463 PolarHBondContact O-N 3.38Å; E461-A464 PolarHBondContact O-N 3.08Å; E461-Q465 WeakPolarHBondContact O-CB 3.38Å; E461-Q465 VanDerWaalsContact O-CG 3.3Å; E461-Q465 WeakPolarHBondContact O-CG 3.1Å; E461-Q465 PolarHBondContact O-N 3Å
462E76.1Confident70Confident79 Ų7979.1 Ų79.137%0.36942%0.422SS..Hα-helixtrans-62-39.5175.2-76.6168.6-178.200111.4L457 S458 S459 Q465 M466L457-E462 HydrophobicContact CD2-CB 3.65Å; S458-E462 PolarHBondContact N-OE2 2.74Å; S458-E462 VanDerWaalsContact N-OE2 3.08Å; S459-E462 PolarHBondContact O-N 3.23Å; S459-E462 WeakPolarHBondContact OG-CB 3.37Å; S459-E462 WeakPolarHBondContact OG-CG 3.46Å; S459-E462 PolarHBondContact OG-N 3.09Å; E462-Q465 PolarHBondContact O-N 3.05Å; E462-M466 WeakPolarHBondContact O-CB 3.44Å; E462-M466 VanDerWaalsContact O-CG 3.3Å; E462-M466 WeakPolarHBondContact O-CG 3.39Å; E462-M466 PolarHBondContact O-N 3.31Å
463V78.5Confident72.1Confident7 Ų776.8 Ų76.84%0.04240%0.398CS..Hα-helixtrans-65.6-41.7176.7177.90000110.8L437 L457 S459 E460 E461 M466 R467L437-V463 HydrophobicContact CD2-CG1 3.99Å; L457-V463 HydrophobicContact CB-CG2 4.08Å; L457-V463 HydrophobicContact CD2-CG2 3.86Å; L457-V463 HydrophobicContact CG-CG2 4.41Å; S459-V463 PolarHBondContact O-N 3.25Å; E460-V463 PolarHBondContact O-N 2.77Å; E461-V463 VanDerWaalsContact C-N 3.29Å; E461-V463 PolarHBondContact O-N 3.38Å; V463-M466 PolarHBondContact O-N 3.12Å; V463-R467 WeakPolarHBondContact O-CG 3.24Å; V463-R467 PolarHBondContact O-N 3.42Å
464A80.1Confident74Confident40 Ų4068.5 Ų68.533%0.33136%0.359SS..Hα-helixtrans-64.2-45.3175.800000111.6E460 E461 M466 R467 N468E460-A464 WeakPolarHBondContact O-CB 3.23Å; E460-A464 PolarHBondContact O-N 3.5Å; E461-A464 PolarHBondContact O-N 3.08Å; A464-M466 VanDerWaalsContact C-N 3.32Å; A464-M466 PolarHBondContact O-N 3.28Å; A464-R467 PolarHBondContact O-N 3.46Å; A464-N468 VanDerWaalsContact O-CG 3.26Å; A464-N468 PolarHBondContact O-N 2.61Å; A464-N468 PolarHBondContact O-OD1 3.02Å
465Q80.9Confident75.8Confident120 Ų12063.3 Ų63.356%0.56132%0.323SS*.Hα-helixtrans-59.6-42.7175.6-73.1173.66.200111.7E461 E462 N468 S469E461-Q465 WeakPolarHBondContact O-CB 3.38Å; E461-Q465 VanDerWaalsContact O-CG 3.3Å; E461-Q465 WeakPolarHBondContact O-CG 3.1Å; E461-Q465 PolarHBondContact O-N 3Å; E462-Q465 PolarHBondContact O-N 3.05Å; Q465-N468 PolarHBondContact O-N 3.22Å; Q465-S469 WeakPolarHBondContact O-CB 3.21Å; Q465-S469 PolarHBondContact O-N 2.66Å; Q465-S469 PolarHBondContact O-OG 2.94Å
466M80.1Confident77.4Confident26 Ų2659.5 Ų59.513%0.12830%0.303CS..Hα-helixtrans-66-37.8176.6-77-174.863.700113.2I433 R436 L437 L457 E462 V463 A464 S469 L470I433-M466 HydrophobicContact CB-CE 4.26Å; I433-M466 HydrophobicContact CG1-CE 4.43Å; I433-M466 HydrophobicContact CG2-CB 4.35Å; I433-M466 HydrophobicContact CG2-CE 3.82Å; R436-M466 HydrophobicContact CB-CE 3.63Å; L437-M466 HydrophobicContact CD2-CB 4.2Å; L437-M466 HydrophobicContact CG-CE 4.23Å; L457-M466 HydrophobicContact CD1-CE 4.48Å; L457-M466 HydrophobicContact CD1-SD 3.97Å; L457-M466 HydrophobicContact CD2-CG 4.47Å; L457-M466 HydrophobicContact CD2-SD 3.37Å; L457-M466 WeakPolarHBondContact CD2-SD 3.34Å; L457-M466 HydrophobicContact CG-SD 4.12Å; E462-M466 WeakPolarHBondContact O-CB 3.44Å; E462-M466 VanDerWaalsContact O-CG 3.3Å; E462-M466 WeakPolarHBondContact O-CG 3.39Å; E462-M466 PolarHBondContact O-N 3.31Å; V463-M466 PolarHBondContact O-N 3.12Å; A464-M466 VanDerWaalsContact C-N 3.32Å; A464-M466 PolarHBondContact O-N 3.28Å; M466-S469 PolarHBondContact O-N 3.03Å; M466-L470 WeakPolarHBondContact O-CB 3.4Å; M466-L470 PolarHBondContact O-N 3.4Å
467R83.1Confident79.2Confident135 Ų13553.5 Ų53.551%0.50928%0.277SS..Hα-helixtrans-65.7-44173.7-73.5-179-170137.1-1.2111.8L437 V463 A464 S469 L470 E471L437-R467 HydrophobicContact CD1-CG 4.28Å; L437-R467 HydrophobicContact CD2-CG 4.41Å; V463-R467 WeakPolarHBondContact O-CG 3.24Å; V463-R467 PolarHBondContact O-N 3.42Å; A464-R467 PolarHBondContact O-N 3.46Å; R467-S469 VanDerWaalsContact C-N 3.27Å; R467-S469 PolarHBondContact O-N 3.08Å; R467-L470 WeakPolarHBondContact O-CB 3.43Å; R467-L470 PolarHBondContact O-N 3.48Å; R467-L470 VanDerWaalsContact O-N 3.14Å; R467-E471 PolarHBondContact O-N 3.34Å
468N83Confident80.5Confident91 Ų9152.6 Ų52.649%0.48727%0.272SS..Hα-helixtrans-62-39.1175.7-66.8-3.6000111A464 Q465 E471 I472A464-N468 VanDerWaalsContact O-CG 3.26Å; A464-N468 PolarHBondContact O-N 2.61Å; A464-N468 PolarHBondContact O-OD1 3.02Å; Q465-N468 PolarHBondContact O-N 3.22Å; N468-E471 PolarHBondContact O-N 3.37Å; N468-I472 VanDerWaalsContact O-CG1 3.3Å; N468-I472 WeakPolarHBondContact O-CG1 3.28Å; N468-I472 PolarHBondContact O-N 3.24Å
469S82.3Confident81.7Confident31 Ų3148.7 Ų48.722%0.21724%0.242CC..Hα-helixtrans-64.8-41.3175.3-57.20000111Q465 M466 R467 I472 V473Q465-S469 WeakPolarHBondContact O-CB 3.21Å; Q465-S469 PolarHBondContact O-N 2.66Å; Q465-S469 PolarHBondContact O-OG 2.94Å; M466-S469 PolarHBondContact O-N 3.03Å; R467-S469 VanDerWaalsContact C-N 3.27Å; R467-S469 PolarHBondContact O-N 3.08Å; S469-I472 PolarHBondContact O-N 3.15Å; S469-V473 WeakPolarHBondContact O-CB 3.36Å; S469-V473 WeakPolarHBondContact O-CG2 3.32Å; S469-V473 PolarHBondContact O-N 3.01Å
470L85.5Confident82.5Confident5 Ų546.9 Ų46.93%0.02623%0.229CC..Hα-helixtrans-65.2-41.3176.8-168.463.6000112R430 I433 L437 M466 R467 I472 V473 D474 S499R430-L470 HydrophobicContact CB-CD1 4.48Å; R430-L470 HydrophobicContact CG-CD1 3.7Å; I433-L470 HydrophobicContact CB-CD1 4.33Å; I433-L470 HydrophobicContact CG2-CB 4.03Å; I433-L470 HydrophobicContact CG2-CD1 4.04Å; I433-L470 HydrophobicContact CG2-CD2 4.48Å; I433-L470 HydrophobicContact CG2-CG 4.42Å; L437-L470 HydrophobicContact CD1-CD2 3.97Å; M466-L470 WeakPolarHBondContact O-CB 3.4Å; M466-L470 PolarHBondContact O-N 3.4Å; R467-L470 WeakPolarHBondContact O-CB 3.43Å; R467-L470 PolarHBondContact O-N 3.48Å; R467-L470 VanDerWaalsContact O-N 3.14Å; L470-I472 VanDerWaalsContact C-N 3.35Å; L470-I472 PolarHBondContact O-N 3.1Å; L470-V473 PolarHBondContact O-N 3.11Å; L470-D474 WeakPolarHBondContact O-CB 3.35Å; L470-D474 PolarHBondContact O-N 3.29Å; L470-S499 WeakPolarHBondContact CD2-OG 3.47Å
471E85.7Confident83.1Confident63 Ų6340.7 Ų40.729%0.29420%0.199SC..Hα-helixtrans-60.1-44.2174.6173172.9-175.100111.7R467 N468 T475 S499 N501R467-E471 PolarHBondContact O-N 3.34Å; N468-E471 PolarHBondContact O-N 3.37Å; E471-T475 VanDerWaalsContact O-CB 3.24Å; E471-T475 WeakPolarHBondContact O-CB 3.26Å; E471-T475 PolarHBondContact O-N 3.49Å; E471-T475 PolarHBondContact O-OG1 3.39Å; E471-S499 VanDerWaalsContact CA-O 3.28Å; E471-S499 WeakPolarHBondContact CA-O 3.38Å; E471-S499 WeakPolarHBondContact CB-O 3.28Å; E471-S499 WeakPolarHBondContact CG-O 3.49Å; E471-N501 HydrophobicContact CG-CB 4.17Å; E471-N501 WeakPolarHBondContact OE1-CB 3.42Å; E471-N501 PolarHBondContact OE1-ND2 2.9Å
472I84.3Confident83.4Confident41 Ų4134.5 Ų34.521%0.2117%0.171CC..Hα-helixtrans-67.3-41.6176.9-65168.5000110.7L382 I385 L392 N468 S469 L470 T476L382-I472 HydrophobicContact CD2-CD1 3.65Å; L382-I472 HydrophobicContact CD2-CG2 3.95Å; I385-I472 HydrophobicContact CD1-CG2 3.99Å; L392-I472 HydrophobicContact CD2-CG2 3.92Å; N468-I472 VanDerWaalsContact O-CG1 3.3Å; N468-I472 WeakPolarHBondContact O-CG1 3.28Å; N468-I472 PolarHBondContact O-N 3.24Å; S469-I472 PolarHBondContact O-N 3.15Å; L470-I472 VanDerWaalsContact C-N 3.35Å; L470-I472 PolarHBondContact O-N 3.1Å; I472-T476 HydrophobicContact CG2-CG2 4.25Å; I472-T476 VanDerWaalsContact O-CB 3.28Å; I472-T476 WeakPolarHBondContact O-CB 3.46Å; I472-T476 WeakPolarHBondContact O-CG2 3.38Å; I472-T476 PolarHBondContact O-N 3.15Å; I472-T476 PolarHBondContact O-OG1 2.93Å
473V85.8Confident83.6Confident0 Ų035.2 Ų35.20%017%0.173CC..Hα-helixtrans-62.1-49.6176.7170.40000111.1V381 L426 I429 R430 S469 L470 T476 L477V381-V473 HydrophobicContact CG1-CG2 3.63Å; L426-V473 HydrophobicContact CB-CG1 4.25Å; L426-V473 HydrophobicContact CD2-CG1 4.36Å; L426-V473 HydrophobicContact CD2-CG2 4.22Å; I429-V473 HydrophobicContact CG2-CG2 4.36Å; R430-V473 HydrophobicContact CB-CG1 3.88Å; R430-V473 HydrophobicContact CG-CG1 4.38Å; S469-V473 WeakPolarHBondContact O-CB 3.36Å; S469-V473 WeakPolarHBondContact O-CG2 3.32Å; S469-V473 PolarHBondContact O-N 3.01Å; L470-V473 PolarHBondContact O-N 3.11Å; V473-T476 WeakPolarHBondContact CA-OG1 3.5Å; V473-T476 PolarHBondContact O-N 2.81Å; V473-T476 PolarHBondContact O-OG1 3.4Å; V473-L477 HydrophobicContact CG1-CD1 3.86Å; V473-L477 HydrophobicContact CG1-CG 4.34Å; V473-L477 VanDerWaalsContact O-CB 3.32Å; V473-L477 WeakPolarHBondContact O-CB 3.41Å; V473-L477 VanDerWaalsContact O-CG 3.26Å; V473-L477 WeakPolarHBondContact O-CG 3.3Å; V473-L477 PolarHBondContact O-N 3.14Å
474D85.5Confident83.5Confident0 Ų038.9 Ų38.90%019%0.186CC..Hα-helixtrans-65.4-42.3-179.4-81-9.6000111.3R430 L470 T476 L477 L478 S499R430-D474 WeakPolarHBondContact CD-OD1 3.28Å; R430-D474 IonicContact CZ-OD1 3.97Å; R430-D474 IonicContact NE-OD1 3.6Å; R430-D474 PolarHBondContact NE-OD1 3.47Å; R430-D474 IonicContact NE-OD2 2.65Å; L470-D474 WeakPolarHBondContact O-CB 3.35Å; L470-D474 PolarHBondContact O-N 3.29Å; D474-T476 VanDerWaalsContact C-N 3.35Å; D474-T476 PolarHBondContact O-N 3Å; D474-L477 PolarHBondContact O-N 3.4Å; D474-L478 WeakPolarHBondContact O-CB 3.42Å; D474-L478 PolarHBondContact O-N 3.36Å; D474-S499 PolarHBondContact OD2-N 3.3Å
475T86.8Confident83.3Confident7 Ų740 Ų404%0.04319%0.187CC..Hα-helixtrans-65.6-38.6177.4-52.30000111.4E471 L478 K479 N501 E504E471-T475 VanDerWaalsContact O-CB 3.24Å; E471-T475 WeakPolarHBondContact O-CB 3.26Å; E471-T475 PolarHBondContact O-N 3.49Å; E471-T475 PolarHBondContact O-OG1 3.39Å; T475-L478 PolarHBondContact O-N 3.22Å; T475-K479 WeakPolarHBondContact O-CG 3.45Å; T475-K479 PolarHBondContact O-N 3.4Å; T475-N501 HydrophobicContact CG2-CB 4.33Å; T475-N501 PolarHBondContact OG1-N 3.07Å; T475-E504 HydrophobicContact CG2-CB 4.08Å
476T85.1Confident83.2Confident3 Ų337.4 Ų37.42%0.01818%0.176CC..Hα-helixtrans-73.7-3617753.90000112.4I385 L391 I472 V473 D474 L478 K479 C480I385-T476 HydrophobicContact CD1-CG2 4.22Å; I385-T476 HydrophobicContact CG2-CG2 3.88Å; L391-T476 HydrophobicContact CB-CG2 4.44Å; I472-T476 HydrophobicContact CG2-CG2 4.25Å; I472-T476 VanDerWaalsContact O-CB 3.28Å; I472-T476 WeakPolarHBondContact O-CB 3.46Å; I472-T476 WeakPolarHBondContact O-CG2 3.38Å; I472-T476 PolarHBondContact O-N 3.15Å; I472-T476 PolarHBondContact O-OG1 2.93Å; V473-T476 WeakPolarHBondContact CA-OG1 3.5Å; V473-T476 PolarHBondContact O-N 2.81Å; V473-T476 PolarHBondContact O-OG1 3.4Å; D474-T476 VanDerWaalsContact C-N 3.35Å; D474-T476 PolarHBondContact O-N 3Å; T476-L478 VanDerWaalsContact C-N 3.35Å; T476-K479 PolarHBondContact O-N 2.84Å; T476-C480 WeakPolarHBondContact O-CB 3.39Å; T476-C480 PolarHBondContact O-N 3.24Å; T476-C480 PolarHBondContact O-SG 3.48Å
477L86.6Confident83.2Confident1 Ų142.6 Ų42.61%0.00520%0.203CC..Hα-helixtrans-60.3-44.5169.6-78.9173.1000111T423 L426 V473 D474 K479 C480 Y481 L492T423-L477 HydrophobicContact CG2-CD2 4.17Å; L426-L477 HydrophobicContact CB-CD1 4.35Å; L426-L477 HydrophobicContact CB-CD2 3.63Å; L426-L477 HydrophobicContact CB-CG 3.95Å; L426-L477 HydrophobicContact CD1-CD2 4.07Å; L426-L477 HydrophobicContact CD1-CG 4.18Å; V473-L477 HydrophobicContact CG1-CD1 3.86Å; V473-L477 HydrophobicContact CG1-CG 4.34Å; V473-L477 VanDerWaalsContact O-CB 3.32Å; V473-L477 WeakPolarHBondContact O-CB 3.41Å; V473-L477 VanDerWaalsContact O-CG 3.26Å; V473-L477 WeakPolarHBondContact O-CG 3.3Å; V473-L477 PolarHBondContact O-N 3.14Å; D474-L477 PolarHBondContact O-N 3.4Å; L477-K479 PolarHBondContact O-N 2.92Å; L477-C480 PolarHBondContact O-N 3.33Å; L477-C480 VanDerWaalsContact O-N 3.16Å; L477-Y481 HydrophobicContact CB-CE2 4.15Å; L477-Y481 HydrophobicContact CD2-CE2 4.43Å; L477-Y481 WeakPolarHBondContact O-CB 3.43Å; L477-Y481 WeakPolarHBondContact O-CD2 3.43Å; L477-Y481 VanDerWaalsContact O-CG 3.26Å; L477-Y481 PolarHBondContact O-N 3Å; L477-L492 HydrophobicContact CB-CD1 4.45Å; L477-L492 HydrophobicContact CB-CD2 4.03Å; L477-L492 HydrophobicContact CD1-CD1 4.34Å
478L85.8Confident83.2Confident2 Ų239.1 Ų39.11%0.0119%0.194CC..Hα-helixtrans-59.3-47175.6-177.267.5000111.2D474 T475 T476 C480 Y481 L482 V489 L492 L493 S505D474-L478 WeakPolarHBondContact O-CB 3.42Å; D474-L478 PolarHBondContact O-N 3.36Å; T475-L478 PolarHBondContact O-N 3.22Å; T476-L478 VanDerWaalsContact C-N 3.35Å; L478-C480 VanDerWaalsContact C-N 3.3Å; L478-C480 PolarHBondContact O-N 3.35Å; L478-Y481 PolarHBondContact O-N 3.3Å; L478-L482 HydrophobicContact CD1-CD1 4.26Å; L478-L482 HydrophobicContact CD1-CG 4.35Å; L478-L482 HydrophobicContact CG-CD1 3.99Å; L478-L482 HydrophobicContact CG-CG 4.48Å; L478-L482 WeakPolarHBondContact O-CB 3.34Å; L478-L482 WeakPolarHBondContact O-CG 3.49Å; L478-L482 PolarHBondContact O-N 3.15Å; L478-V489 HydrophobicContact CD1-CG1 3.72Å; L478-L492 HydrophobicContact CB-CD2 3.93Å; L478-L492 HydrophobicContact CD1-CD2 4.36Å; L478-L493 HydrophobicContact CD1-CD2 4.38Å; L478-S505 WeakPolarHBondContact CD2-OG 3.27Å
479K84.5Confident83.2Confident25 Ų2534.8 Ų34.811%0.10917%0.171CC..Hα-helixtrans-59.8-38.8175.1-70.7179.7-176.6173.20112.3L391 T475 T476 L477 K483 E504 M508L391-K479 HydrophobicContact CD2-CB 4.26Å; T475-K479 WeakPolarHBondContact O-CG 3.45Å; T475-K479 PolarHBondContact O-N 3.4Å; T476-K479 PolarHBondContact O-N 2.84Å; L477-K479 PolarHBondContact O-N 2.92Å; K479-K483 WeakPolarHBondContact O-CG 3.48Å; K479-K483 PolarHBondContact O-N 3.33Å; K479-E504 VanDerWaalsContact CE-OE2 3.23Å; K479-E504 WeakPolarHBondContact CE-OE2 3.45Å; K479-E504 IonicContact NZ-OE2 3.13Å; K479-E504 PolarHBondContact NZ-OE2 3.18Å; K479-M508 HydrophobicContact CG-CE 4.13Å
480C83.1Confident83.1Confident4 Ų434.3 Ų34.33%0.02717%0.168CC..Hα-helixtrans-68.8-43.7177.2-670000111.8T423 T476 L477 L478 K483 Y484T423-C480 HydrophobicContact CG2-CB 3.71Å; T476-C480 WeakPolarHBondContact O-CB 3.39Å; T476-C480 PolarHBondContact O-N 3.24Å; T476-C480 PolarHBondContact O-SG 3.48Å; L477-C480 PolarHBondContact O-N 3.33Å; L477-C480 VanDerWaalsContact O-N 3.16Å; L478-C480 VanDerWaalsContact C-N 3.3Å; L478-C480 PolarHBondContact O-N 3.35Å; C480-K483 PolarHBondContact O-N 3.27Å; C480-Y484 PolarHBondContact O-N 3.13Å; C480-Y484 VanDerWaalsContact O-N 3.14Å
481Y85.1Confident83Confident30 Ų3036.9 Ų36.912%0.11819%0.186CC..Hα-helixtrans-67.7-43.2179.6-65.3-28.1000112.1T423 L477 L478 K483 Y484 N485 D486 L488 L492T423-Y481 HydrophobicContact CG2-CD1 4.27Å; T423-Y481 HydrophobicContact CG2-CE1 3.8Å; L477-Y481 HydrophobicContact CB-CE2 4.15Å; L477-Y481 HydrophobicContact CD2-CE2 4.43Å; L477-Y481 WeakPolarHBondContact O-CB 3.43Å; L477-Y481 WeakPolarHBondContact O-CD2 3.43Å; L477-Y481 VanDerWaalsContact O-CG 3.26Å; L477-Y481 PolarHBondContact O-N 3Å; L478-Y481 PolarHBondContact O-N 3.3Å; Y481-K483 PolarHBondContact O-N 3.27Å; Y481-Y484 PolarHBondContact O-N 3.32Å; Y481-N485 CarbonylContact O-C 3.56Å; Y481-N485 WeakPolarHBondContact O-CA 3.38Å; Y481-N485 PolarHBondContact O-N 3.13Å; Y481-D486 PolarHBondContact O-N 3.43Å; Y481-L488 HydrophobicContact CD1-CB 4.04Å; Y481-L488 HydrophobicContact CD1-CD1 4.1Å; Y481-L488 HydrophobicContact CD2-CB 4.03Å; Y481-L488 HydrophobicContact CE1-CB 4.19Å; Y481-L488 HydrophobicContact CE1-CD1 3.71Å; Y481-L488 HydrophobicContact CE2-CB 4.18Å; Y481-L488 HydrophobicContact CG-CB 3.98Å; Y481-L492 HydrophobicContact CD2-CB 4.17Å; Y481-L492 HydrophobicContact CD2-CD2 3.89Å; Y481-L492 HydrophobicContact CE2-CB 4.1Å; Y481-L492 HydrophobicContact CE2-CD1 4.3Å; Y481-L492 HydrophobicContact CE2-CD2 4.04Å; Y481-L492 HydrophobicContact CE2-CG 4.38Å
482L83.8Confident82.8Confident15 Ų1534.2 Ų34.28%0.07917%0.174CC..Hα-helixtrans-59.2-33.8176.1-74.3169.8000112.8L478 V489 M508 L509 H512 K514L478-L482 HydrophobicContact CD1-CD1 4.26Å; L478-L482 HydrophobicContact CD1-CG 4.35Å; L478-L482 HydrophobicContact CG-CD1 3.99Å; L478-L482 HydrophobicContact CG-CG 4.48Å; L478-L482 WeakPolarHBondContact O-CB 3.34Å; L478-L482 WeakPolarHBondContact O-CG 3.49Å; L478-L482 PolarHBondContact O-N 3.15Å; L482-V489 HydrophobicContact CD2-CG1 4.32Å; L482-V489 HydrophobicContact CD2-CG2 3.89Å; L482-V489 HydrophobicContact CG-CG2 4.12Å; L482-M508 HydrophobicContact CD1-CB 3.9Å; L482-L509 HydrophobicContact CD1-CD2 4.29Å; L482-L509 HydrophobicContact CD2-CD2 3.99Å; L482-H512 HydrophobicContact CD2-CB 4.37Å; L482-K514 HydrophobicContact CD2-CG 4.43Å
483K80.4Confident82.7Confident94 Ų9432.3 Ų32.341%0.40916%0.164SC..Hα-helixtrans-81.3-32179.6-72.6-176.1177.3-177.30114.6K479 C480 Y481K479-K483 WeakPolarHBondContact O-CG 3.48Å; K479-K483 PolarHBondContact O-N 3.33Å; C480-K483 PolarHBondContact O-N 3.27Å; Y481-K483 PolarHBondContact O-N 3.27Å
484Y76.6Confident82.5Confident83 Ų8338.5 Ų38.533%0.32519%0.188SC..Hα-helixtrans-134.1-19.4-168-62.6-84.8000116Q416 L419 C480 Y481Q416-Y484 HydrophobicContact CB-CD1 4.03Å; Q416-Y484 HydrophobicContact CB-CE1 3.81Å; Q416-Y484 HydrophobicContact CG-CD1 3.69Å; Q416-Y484 HydrophobicContact CG-CE1 4.02Å; L419-Y484 HydrophobicContact CB-CD2 4.46Å; L419-Y484 HydrophobicContact CD1-CD2 3.67Å; L419-Y484 HydrophobicContact CD1-CE2 3Å; L419-Y484 HydrophobicContact CG-CE2 4.33Å; C480-Y484 PolarHBondContact O-N 3.13Å; C480-Y484 VanDerWaalsContact O-N 3.14Å; Y481-Y484 PolarHBondContact O-N 3.32Å
485N74.9Confident82.1Confident64 Ų6441.3 Ų41.334%0.34220%0.203SC..  trans-152.180.5179.9-166-7.6000112Y481 I487 L488Y481-N485 CarbonylContact O-C 3.56Å; Y481-N485 WeakPolarHBondContact O-CA 3.38Å; Y481-N485 PolarHBondContact O-N 3.13Å; N485-I487 PolarHBondContact O-N 3.44Å; N485-L488 HydrophobicContact CB-CD1 4.41Å; N485-L488 WeakPolarHBondContact ND2-CD1 3.36Å; N485-L488 PolarHBondContact O-N 3.27Å
486D79.2Confident81.2Confident65 Ų6547 Ų4735%0.34824%0.24SC..THydrogen-bonded Turntrans-59.9-30.3-177.2-172.929.6000113.4Y481 L488 V489 K514Y481-D486 PolarHBondContact O-N 3.43Å; D486-L488 PolarHBondContact O-N 2.92Å; D486-V489 WeakPolarHBondContact O-CB 3.46Å; D486-V489 WeakPolarHBondContact O-CG2 3.25Å; D486-V489 PolarHBondContact O-N 3.32Å; D486-V489 VanDerWaalsContact O-N 3.09Å; D486-K514 VanDerWaalsContact CG-CE 3.48Å; D486-K514 VanDerWaalsContact CG-NZ 3.28Å; D486-K514 WeakPolarHBondContact OD1-CE 3.48Å; D486-K514 IonicContact OD1-NZ 2.95Å; D486-K514 PolarHBondContact OD1-NZ 3.38Å; D486-K514 WeakPolarHBondContact OD2-CE 3.49Å; D486-K514 IonicContact OD2-NZ 2.74Å; D486-K514 PolarHBondContact OD2-NZ 3.05Å
487I80.4Confident80.5Confident135 Ų13548.7 Ų48.769%0.69225%0.248SC*.Hα-helixtrans-60.3-34.6-178.8-57.2168.5000111.4N485 V489 S490N485-I487 PolarHBondContact O-N 3.44Å; I487-V489 VanDerWaalsContact C-N 3.31Å; I487-V489 PolarHBondContact O-N 2.98Å; I487-S490 PolarHBondContact O-OG 3.15Å
488L82.3Confident80.1Confident62 Ų6249.3 Ų49.333%0.32525%0.252SS..Hα-helixtrans-80.4-10.9-177.1-63.9-179.3000113.5Y481 N485 D486 S491 L492Y481-L488 HydrophobicContact CD1-CB 4.04Å; Y481-L488 HydrophobicContact CD1-CD1 4.1Å; Y481-L488 HydrophobicContact CD2-CB 4.03Å; Y481-L488 HydrophobicContact CE1-CB 4.19Å; Y481-L488 HydrophobicContact CE1-CD1 3.71Å; Y481-L488 HydrophobicContact CE2-CB 4.18Å; Y481-L488 HydrophobicContact CG-CB 3.98Å; N485-L488 HydrophobicContact CB-CD1 4.41Å; N485-L488 WeakPolarHBondContact ND2-CD1 3.36Å; N485-L488 PolarHBondContact O-N 3.27Å; D486-L488 PolarHBondContact O-N 2.92Å; L488-S491 PolarHBondContact O-N 3.38Å; L488-L492 PolarHBondContact O-N 3.47Å
489V83Confident79.7Confident0 Ų050.8 Ų50.80%026%0.262CS..Hα-helixtrans-61.4-51.2179.5176.70000110.3L478 L482 D486 I487 S491 L492 L493 L509 E517L478-V489 HydrophobicContact CD1-CG1 3.72Å; L482-V489 HydrophobicContact CD2-CG1 4.32Å; L482-V489 HydrophobicContact CD2-CG2 3.89Å; L482-V489 HydrophobicContact CG-CG2 4.12Å; D486-V489 WeakPolarHBondContact O-CB 3.46Å; D486-V489 WeakPolarHBondContact O-CG2 3.25Å; D486-V489 PolarHBondContact O-N 3.32Å; D486-V489 VanDerWaalsContact O-N 3.09Å; I487-V489 VanDerWaalsContact C-N 3.31Å; I487-V489 PolarHBondContact O-N 2.98Å; V489-S491 VanDerWaalsContact C-N 3.28Å; V489-S491 PolarHBondContact O-N 3.25Å; V489-L492 PolarHBondContact O-N 3.36Å; V489-L493 HydrophobicContact CG1-CD1 3.92Å; V489-L493 HydrophobicContact CG1-CG 4.42Å; V489-L493 WeakPolarHBondContact O-CG 3.32Å; V489-L493 PolarHBondContact O-N 3.21Å; V489-L509 HydrophobicContact CG1-CD2 4.24Å; V489-E517 HydrophobicContact CG1-CB 4.25Å; V489-E517 HydrophobicContact CG1-CG 3.92Å
490S80.1Confident79.4Confident21 Ų2149.7 Ų49.715%0.14726%0.258CS..Hα-helixtrans-59.4-40.3177.370.20000112I487 L493 R494I487-S490 PolarHBondContact O-OG 3.15Å; S490-L493 PolarHBondContact O-N 2.83Å; S490-R494 WeakPolarHBondContact O-CB 3.1Å; S490-R494 VanDerWaalsContact O-CG 3.25Å; S490-R494 WeakPolarHBondContact O-CG 3.43Å; S490-R494 PolarHBondContact O-N 3.45Å; S490-R494 PolarHBondContact OG-NH1 3.22Å
491S83.4Confident79.3Confident59 Ų5951.6 Ų51.641%0.41327%0.268SS..Hα-helixtrans-65.4-39.6178.4-62.50000112.5L488 V489 L495L488-S491 PolarHBondContact O-N 3.38Å; V489-S491 VanDerWaalsContact C-N 3.28Å; V489-S491 PolarHBondContact O-N 3.25Å; S491-L495 WeakPolarHBondContact O-CG 3.14Å
492L82Confident79.1Confident8 Ų852.3 Ų52.34%0.04227%0.273CS..Hα-helixtrans-65.5-45.4174.6-17870.9000111L477 L478 Y481 L488 V489 R494 L495L477-L492 HydrophobicContact CB-CD1 4.45Å; L477-L492 HydrophobicContact CB-CD2 4.03Å; L477-L492 HydrophobicContact CD1-CD1 4.34Å; L478-L492 HydrophobicContact CB-CD2 3.93Å; L478-L492 HydrophobicContact CD1-CD2 4.36Å; Y481-L492 HydrophobicContact CD2-CB 4.17Å; Y481-L492 HydrophobicContact CD2-CD2 3.89Å; Y481-L492 HydrophobicContact CE2-CB 4.1Å; Y481-L492 HydrophobicContact CE2-CD1 4.3Å; Y481-L492 HydrophobicContact CE2-CD2 4.04Å; Y481-L492 HydrophobicContact CE2-CG 4.38Å; L488-L492 PolarHBondContact O-N 3.47Å; V489-L492 PolarHBondContact O-N 3.36Å; L492-R494 PolarHBondContact O-N 3.47Å; L492-L495 HydrophobicContact CD1-CD1 4.1Å; L492-L495 WeakPolarHBondContact O-CB 3.49Å; L492-L495 WeakPolarHBondContact O-CG 3.28Å; L492-L495 PolarHBondContact O-N 3.12Å
493L82.3Confident79.1Confident0 Ų055 Ų550%030%0.297CS..Hα-helixtrans-70.1-30.6-175.4-67.4177.8000113.3L478 V489 S490 L495 N498 L509 E517 L520 L521L478-L493 HydrophobicContact CD1-CD2 4.38Å; V489-L493 HydrophobicContact CG1-CD1 3.92Å; V489-L493 HydrophobicContact CG1-CG 4.42Å; V489-L493 WeakPolarHBondContact O-CG 3.32Å; V489-L493 PolarHBondContact O-N 3.21Å; S490-L493 PolarHBondContact O-N 2.83Å; L493-L495 PolarHBondContact O-N 2.95Å; L493-N498 WeakPolarHBondContact CA-ND2 3.49Å; L493-N498 WeakPolarHBondContact CD2-ND2 3.38Å; L493-N498 PolarHBondContact O-ND2 2.94Å; L493-L509 HydrophobicContact CD1-CD1 4.31Å; L493-E517 HydrophobicContact CD1-CB 3.75Å; L493-E517 HydrophobicContact CD1-CG 4.4Å; L493-E517 WeakPolarHBondContact CD1-O 3.26Å; L493-L520 HydrophobicContact CB-CD2 3.77Å; L493-L520 HydrophobicContact CB-CG 4.36Å; L493-L521 HydrophobicContact CD2-CB 4.42Å; L493-L521 HydrophobicContact CD2-CD1 3.9Å
494R81.2Confident79.1Confident130 Ų13053.6 Ų53.649%0.49129%0.292SS..THydrogen-bonded Turntrans-68.7-16.9176-75.9178.6-163.31324113.8S490 L492 L520 R524S490-R494 WeakPolarHBondContact O-CB 3.1Å; S490-R494 VanDerWaalsContact O-CG 3.25Å; S490-R494 WeakPolarHBondContact O-CG 3.43Å; S490-R494 PolarHBondContact O-N 3.45Å; S490-R494 PolarHBondContact OG-NH1 3.22Å; L492-R494 PolarHBondContact O-N 3.47Å; R494-L520 HydrophobicContact CG-CD1 4.24Å; R494-L520 HydrophobicContact CG-CD2 3.78Å; R494-R524 PolarHBondContact O-NE 2.88Å; R494-R524 PolarHBondContact O-NH2 2.87Å
495L78.4Confident79.4Confident60 Ų6049.6 Ų49.631%0.31428%0.277SS..  trans-62.3135.6-176.6-67.2165.7000110.7R430 S491 L492 L493 D497 N498R430-L495 VanDerWaalsContact CZ-CD1 3.41Å; S491-L495 WeakPolarHBondContact O-CG 3.14Å; L492-L495 HydrophobicContact CD1-CD1 4.1Å; L492-L495 WeakPolarHBondContact O-CB 3.49Å; L492-L495 WeakPolarHBondContact O-CG 3.28Å; L492-L495 PolarHBondContact O-N 3.12Å; L493-L495 PolarHBondContact O-N 2.95Å; L495-D497 PolarHBondContact O-N 3.38Å; L495-N498 VanDerWaalsContact O-CB 3.26Å; L495-N498 WeakPolarHBondContact O-CB 3.3Å; L495-N498 PolarHBondContact O-N 3.12Å
496P67.6Low79.9Confident126 Ų12648.2 Ų48.282%0.81827%0.268SS*.THydrogen-bonded Turntrans-68-24.2-174.727.9-34.9000112.7
497D70.5Confident80.3Confident38 Ų3848 Ų4820%0.20328%0.275CS..THydrogen-bonded Turntrans-98.918.1179.762.5-29.8000112.8R430 A434 L495 S499R430-D497 IonicContact CZ-OD1 3.62Å; R430-D497 IonicContact CZ-OD2 3.65Å; R430-D497 IonicContact NH1-OD1 2.66Å; R430-D497 IonicContact NH1-OD2 2.68Å; R430-D497 IonicContact NH2-OD1 2.77Å; R430-D497 PolarHBondContact NH2-OD1 3.03Å; R430-D497 IonicContact NH2-OD2 2.64Å; R430-D497 PolarHBondContact NH2-OD2 3.05Å; A434-D497 VanDerWaalsContact CB-OD2 3.24Å; A434-D497 WeakPolarHBondContact CB-OD2 3.43Å; L495-D497 PolarHBondContact O-N 3.38Å; D497-S499 PolarHBondContact O-N 3.14Å; D497-S499 PolarHBondContact O-OG 3.21Å
498N77.4Confident80.3Confident14 Ų1443.2 Ų43.28%0.07525%0.25CS..  trans-57.5109.9179.9178.34.1000111.4L493 L495 C500 K525L493-N498 WeakPolarHBondContact CA-ND2 3.49Å; L493-N498 WeakPolarHBondContact CD2-ND2 3.38Å; L493-N498 PolarHBondContact O-ND2 2.94Å; L495-N498 VanDerWaalsContact O-CB 3.26Å; L495-N498 WeakPolarHBondContact O-CB 3.3Å; L495-N498 PolarHBondContact O-N 3.12Å; N498-C500 WeakPolarHBondContact OD1-CB 3.37Å; N498-C500 PolarHBondContact OD1-N 3.05Å; N498-C500 PolarHBondContact OD1-SG 3.23Å; N498-K525 PolarHBondContact O-NZ 3.27Å
499S78Confident80.4Confident33 Ų3340.2 Ų40.223%0.23124%0.235CC..  trans-103.613.9-177.4-58.30000112.5L470 E471 D474 D497 N501L470-S499 WeakPolarHBondContact CD2-OG 3.47Å; E471-S499 VanDerWaalsContact CA-O 3.28Å; E471-S499 WeakPolarHBondContact CA-O 3.38Å; E471-S499 WeakPolarHBondContact CB-O 3.28Å; E471-S499 WeakPolarHBondContact CG-O 3.49Å; D474-S499 PolarHBondContact OD2-N 3.3Å; D497-S499 PolarHBondContact O-N 3.14Å; D497-S499 PolarHBondContact O-OG 3.21Å; S499-N501 PolarHBondContact O-N 3.39Å
500C78.5Confident80.5Confident2 Ų243.9 Ų43.91%0.01425%0.251CS..  trans-48.8138.7176.6-73.40000112.1N498 I502 S505 K525N498-C500 WeakPolarHBondContact OD1-CB 3.37Å; N498-C500 PolarHBondContact OD1-N 3.05Å; N498-C500 PolarHBondContact OD1-SG 3.23Å; C500-I502 PolarHBondContact O-N 2.82Å; C500-S505 WeakPolarHBondContact CB-OG 3.3Å; C500-K525 WeakPolarHBondContact O-CE 3.5Å; C500-K525 PolarHBondContact O-NZ 2.79Å; C500-K525 VanDerWaalsContact O-NZ 3.15Å
501N81.2Confident80.8Confident45 Ų4550 Ų5024%0.24128%0.277CS..  trans-68.3119.8173.2-176.4-73.7000109.8E471 T475 S499 A503 E504 S505E471-N501 HydrophobicContact CG-CB 4.17Å; E471-N501 WeakPolarHBondContact OE1-CB 3.42Å; E471-N501 PolarHBondContact OE1-ND2 2.9Å; T475-N501 HydrophobicContact CG2-CB 4.33Å; T475-N501 PolarHBondContact OG1-N 3.07Å; S499-N501 PolarHBondContact O-N 3.39Å; N501-A503 PolarHBondContact O-N 3.28Å; N501-A503 PolarHBondContact OD1-N 3.09Å; N501-A503 VanDerWaalsContact OD1-N 3.11Å; N501-E504 HydrophobicContact CB-CB 4.34Å; N501-E504 PolarHBondContact OD1-N 3.48Å; N501-E504 VanDerWaalsContact OD1-N 3.09Å; N501-S505 WeakPolarHBondContact O-CB 3.18Å; N501-S505 PolarHBondContact O-N 3.42Å; N501-S505 PolarHBondContact O-OG 3.4Å
502I80Confident80.8Confident45 Ų4550.7 Ų50.723%0.23127%0.273CS..Hα-helixtrans-63.7-42.6-170.4-58.7171.8000111.7C500 E506 K525 M527C500-I502 PolarHBondContact O-N 2.82Å; I502-E506 WeakPolarHBondContact O-CB 3.48Å; I502-E506 PolarHBondContact O-N 3.48Å; I502-K525 HydrophobicContact CD1-CB 4.3Å; I502-K525 HydrophobicContact CD1-CD 4.17Å; I502-K525 HydrophobicContact CD1-CG 4.2Å; I502-K525 HydrophobicContact CG1-CD 4.23Å; I502-K525 HydrophobicContact CG1-CG 4.2Å; I502-M527 HydrophobicContact CD1-CE 3.58Å; I502-M527 HydrophobicContact CD1-SD 3.92Å; I502-M527 HydrophobicContact CG2-CE 4.22Å; I502-M527 HydrophobicContact CG2-SD 3.75Å
503A83.2Confident80.8Confident70 Ų7052.3 Ų52.358%0.57929%0.292SS*.Hα-helixtrans-69.8-44-175.400000111.8N501 A507N501-A503 PolarHBondContact O-N 3.28Å; N501-A503 PolarHBondContact OD1-N 3.09Å; N501-A503 VanDerWaalsContact OD1-N 3.11Å; A503-A507 PolarHBondContact O-N 2.91Å; A503-A507 VanDerWaalsContact O-N 3.14Å
504E81.2Confident80.8Confident65 Ų6554.9 Ų54.930%0.30430%0.303SS..Hα-helixtrans-67.8-45.3175.5-70.4-165.4-156.400111.4T475 K479 N501 E506 A507 M508T475-E504 HydrophobicContact CG2-CB 4.08Å; K479-E504 VanDerWaalsContact CE-OE2 3.23Å; K479-E504 WeakPolarHBondContact CE-OE2 3.45Å; K479-E504 IonicContact NZ-OE2 3.13Å; K479-E504 PolarHBondContact NZ-OE2 3.18Å; N501-E504 HydrophobicContact CB-CB 4.34Å; N501-E504 PolarHBondContact OD1-N 3.48Å; N501-E504 VanDerWaalsContact OD1-N 3.09Å; E504-E506 VanDerWaalsContact C-N 3.33Å; E504-E506 PolarHBondContact O-N 3.11Å; E504-A507 PolarHBondContact O-N 3.39Å; E504-M508 WeakPolarHBondContact O-CB 3.39Å; E504-M508 WeakPolarHBondContact O-CG 3.45Å; E504-M508 PolarHBondContact O-N 3.16Å
505S83.5Confident80.8Confident0 Ų052.6 Ų52.60%030%0.295CS..Hα-helixtrans-62.4-39.6178.2-64.30000112.3L478 C500 N501 M508 L509L478-S505 WeakPolarHBondContact CD2-OG 3.27Å; C500-S505 WeakPolarHBondContact CB-OG 3.3Å; N501-S505 WeakPolarHBondContact O-CB 3.18Å; N501-S505 PolarHBondContact O-N 3.42Å; N501-S505 PolarHBondContact O-OG 3.4Å; S505-M508 PolarHBondContact O-N 3.12Å; S505-L509 VanDerWaalsContact O-CB 3.27Å; S505-L509 WeakPolarHBondContact O-CB 3.46Å; S505-L509 WeakPolarHBondContact O-CD1 3.42Å; S505-L509 WeakPolarHBondContact O-CG 3.38Å; S505-L509 PolarHBondContact O-N 2.83Å
506E85.9Confident81Confident34 Ų3453.3 Ų53.316%0.15931%0.305CS..Hα-helixtrans-60.3-50.7175175.5175.9164.600111.2I502 E504 M508 L509 K510 L518 Y522 K530I502-E506 WeakPolarHBondContact O-CB 3.48Å; I502-E506 PolarHBondContact O-N 3.48Å; E504-E506 VanDerWaalsContact C-N 3.33Å; E504-E506 PolarHBondContact O-N 3.11Å; E506-M508 PolarHBondContact O-N 3.34Å; E506-L509 PolarHBondContact O-N 3.48Å; E506-K510 HydrophobicContact CG-CD 4.05Å; E506-K510 WeakPolarHBondContact O-CB 3.16Å; E506-K510 WeakPolarHBondContact O-CG 3.45Å; E506-K510 PolarHBondContact O-N 3.04Å; E506-K510 IonicContact OE1-NZ 3.4Å; E506-K510 PolarHBondContact OE1-NZ 3.44Å; E506-L518 HydrophobicContact CB-CD1 4.2Å; E506-L518 HydrophobicContact CG-CD1 4.23Å; E506-Y522 VanDerWaalsContact CG-OH 3.24Å; E506-Y522 WeakPolarHBondContact CG-OH 3.23Å; E506-Y522 PolarHBondContact OE1-OH 3.48Å; E506-Y522 PolarHBondContact OE2-OH 3.45Å; E506-K530 IonicContact OE2-NZ 2.59Å; E506-K530 PolarHBondContact OE2-NZ 3.42Å
507A86Confident81.7Confident60 Ų6048.6 Ų48.650%0.49627%0.272SS..Hα-helixtrans-60.2-45.5178.900000111.7A503 E504 E511A503-A507 PolarHBondContact O-N 2.91Å; A503-A507 VanDerWaalsContact O-N 3.14Å; E504-A507 PolarHBondContact O-N 3.39Å; A507-E511 WeakPolarHBondContact O-CB 3.48Å; A507-E511 PolarHBondContact O-N 2.98Å
508M81.4Confident82.4Confident35 Ų3546.8 Ų46.817%0.17226%0.262CS..Hα-helixtrans-66.8-42-179-67.3-60.5-66.600112.4K479 L482 E504 S505 E506 E511 H512K479-M508 HydrophobicContact CG-CE 4.13Å; L482-M508 HydrophobicContact CD1-CB 3.9Å; E504-M508 WeakPolarHBondContact O-CB 3.39Å; E504-M508 WeakPolarHBondContact O-CG 3.45Å; E504-M508 PolarHBondContact O-N 3.16Å; S505-M508 PolarHBondContact O-N 3.12Å; E506-M508 PolarHBondContact O-N 3.34Å; M508-E511 PolarHBondContact O-N 3.21Å; M508-H512 PolarHBondContact O-N 3.33Å; M508-H512 VanDerWaalsContact O-N 3.16Å; M508-H512 PolarHBondContact O-ND1 3.3Å
509L85.1Confident82.7Confident0 Ų047.7 Ų47.70%027%0.266CS..Hα-helixtrans-70-39179.6-71.1169.6000111.7L482 V489 L493 S505 E506 H512 G513 K514 E517 L518 L521L482-L509 HydrophobicContact CD1-CD2 4.29Å; L482-L509 HydrophobicContact CD2-CD2 3.99Å; V489-L509 HydrophobicContact CG1-CD2 4.24Å; L493-L509 HydrophobicContact CD1-CD1 4.31Å; S505-L509 VanDerWaalsContact O-CB 3.27Å; S505-L509 WeakPolarHBondContact O-CB 3.46Å; S505-L509 WeakPolarHBondContact O-CD1 3.42Å; S505-L509 WeakPolarHBondContact O-CG 3.38Å; S505-L509 PolarHBondContact O-N 2.83Å; E506-L509 PolarHBondContact O-N 3.48Å; L509-H512 PolarHBondContact O-N 2.89Å; L509-G513 PolarHBondContact O-N 3.28Å; L509-K514 HydrophobicContact CD2-CB 3.92Å; L509-K514 PolarHBondContact O-N 3.46Å; L509-E517 HydrophobicContact CD2-CB 3.94Å; L509-L518 HydrophobicContact CB-CB 4.2Å; L509-L518 HydrophobicContact CB-CD1 4.31Å; L509-L518 HydrophobicContact CD1-CB 4.24Å; L509-L518 HydrophobicContact CD1-CD1 4.09Å; L509-L521 HydrophobicContact CD1-CB 4.44Å; L509-L521 HydrophobicContact CD1-CD2 4Å
510K85Confident83Confident77 Ų7747.2 Ų47.234%0.33526%0.261SS..Hα-helixtrans-62.5-44.6172.4-74.1-178.3173.9175.50111.3E506 H512 G513 Y515 L518E506-K510 HydrophobicContact CG-CD 4.05Å; E506-K510 WeakPolarHBondContact O-CB 3.16Å; E506-K510 WeakPolarHBondContact O-CG 3.45Å; E506-K510 PolarHBondContact O-N 3.04Å; E506-K510 IonicContact OE1-NZ 3.4Å; E506-K510 PolarHBondContact OE1-NZ 3.44Å; K510-H512 VanDerWaalsContact C-N 3.28Å; K510-H512 PolarHBondContact O-N 2.88Å; K510-G513 PolarHBondContact O-N 3Å; K510-G513 VanDerWaalsContact O-N 3.1Å; K510-Y515 HydrophobicContact CG-CE1 4.5Å; K510-L518 HydrophobicContact CD-CD2 4.38Å; K510-L518 HydrophobicContact CG-CD2 3.74Å
511E86.2Confident83.3Confident148 Ų14847.1 Ų47.169%0.69226%0.26SS*.Hα-helixtrans-59.7-36.5178-173-177.3-17800112.7A507 M508A507-E511 WeakPolarHBondContact O-CB 3.48Å; A507-E511 PolarHBondContact O-N 2.98Å; M508-E511 PolarHBondContact O-N 3.21Å
512H82.8Confident83.5Confident74 Ų7445.2 Ų45.234%0.34325%0.25SC..THydrogen-bonded Turntrans-88.92.4179-66.170.8000113.6L482 M508 L509 K510 K514L482-H512 HydrophobicContact CD2-CB 4.37Å; M508-H512 PolarHBondContact O-N 3.33Å; M508-H512 VanDerWaalsContact O-N 3.16Å; M508-H512 PolarHBondContact O-ND1 3.3Å; L509-H512 PolarHBondContact O-N 2.89Å; K510-H512 VanDerWaalsContact C-N 3.28Å; K510-H512 PolarHBondContact O-N 2.88Å; H512-K514 VanDerWaalsContact C-N 3.3Å; H512-K514 HydrophobicContact CB-CG 4.13Å; H512-K514 PolarHBondContact O-N 3.21Å
513G80.8Confident83.7Confident43 Ų4346.3 Ų46.344%0.44325%0.253SS..THydrogen-bonded Turntrans67.624.4-178.800000114.5L509 K510 Y515L509-G513 PolarHBondContact O-N 3.28Å; K510-G513 PolarHBondContact O-N 3Å; K510-G513 VanDerWaalsContact O-N 3.1Å; G513-Y515 PolarHBondContact O-N 3.36Å
514K82.7Confident83.6Confident53 Ų5348.8 Ų48.823%0.2325%0.248CC..  trans-96.466.1-173.8-69.7-66.5-174.6167.30112.3L482 D486 L509 H512 E517 L518L482-K514 HydrophobicContact CD2-CG 4.43Å; D486-K514 VanDerWaalsContact CG-CE 3.48Å; D486-K514 VanDerWaalsContact CG-NZ 3.28Å; D486-K514 WeakPolarHBondContact OD1-CE 3.48Å; D486-K514 IonicContact OD1-NZ 2.95Å; D486-K514 PolarHBondContact OD1-NZ 3.38Å; D486-K514 WeakPolarHBondContact OD2-CE 3.49Å; D486-K514 IonicContact OD2-NZ 2.74Å; D486-K514 PolarHBondContact OD2-NZ 3.05Å; L509-K514 HydrophobicContact CD2-CB 3.92Å; L509-K514 PolarHBondContact O-N 3.46Å; H512-K514 VanDerWaalsContact C-N 3.3Å; H512-K514 HydrophobicContact CB-CG 4.13Å; H512-K514 PolarHBondContact O-N 3.21Å; K514-E517 HydrophobicContact CB-CB 4.3Å; K514-E517 PolarHBondContact O-N 3Å; K514-L518 PolarHBondContact O-N 3.29Å
515Y82.7Confident83.6Confident83 Ų8348.2 Ų48.233%0.32524%0.244SC..Hα-helixtrans-73.1-30.1-174.9-59.4-70.3000114.3K510 G513 E517 L518 F519 L534K510-Y515 HydrophobicContact CG-CE1 4.5Å; G513-Y515 PolarHBondContact O-N 3.36Å; Y515-E517 VanDerWaalsContact C-N 3.33Å; Y515-E517 PolarHBondContact O-N 3.14Å; Y515-L518 HydrophobicContact CD1-CD2 4.45Å; Y515-L518 PolarHBondContact O-N 2.71Å; Y515-F519 WeakPolarHBondContact O-CB 3.43Å; Y515-F519 PolarHBondContact O-N 2.95Å; Y515-L534 HydrophobicContact CD1-CD1 4.08Å
516S81.8Confident83.5Confident74 Ų7452.3 Ų52.352%0.51727%0.273SS..Hα-helixtrans-61.9-42.2173.532.90000112.1F519 L520S516-F519 PolarHBondContact O-N 2.89Å; S516-L520 PolarHBondContact O-N 3.47Å
517E82.2Confident83.3Confident27 Ų2753.7 Ų53.713%0.12628%0.28CS..Hα-helixtrans-72.2-34.5176.9-70.176.6-173.800111.1V489 L493 L509 K514 Y515 L520 L521V489-E517 HydrophobicContact CG1-CB 4.25Å; V489-E517 HydrophobicContact CG1-CG 3.92Å; L493-E517 HydrophobicContact CD1-CB 3.75Å; L493-E517 HydrophobicContact CD1-CG 4.4Å; L493-E517 WeakPolarHBondContact CD1-O 3.26Å; L509-E517 HydrophobicContact CD2-CB 3.94Å; K514-E517 HydrophobicContact CB-CB 4.3Å; K514-E517 PolarHBondContact O-N 3Å; Y515-E517 VanDerWaalsContact C-N 3.33Å; Y515-E517 PolarHBondContact O-N 3.14Å; E517-L520 PolarHBondContact O-N 2.93Å; E517-L521 WeakPolarHBondContact O-CB 3.45Å; E517-L521 PolarHBondContact O-N 3.28Å
518L85Confident83.3Confident0 Ų052.5 Ų52.50%026%0.264CS..Hα-helixtrans-64.9-43.1172.5-176.360.9000111.9E506 L509 K510 K514 Y515 L520 L521 Y522 L534E506-L518 HydrophobicContact CB-CD1 4.2Å; E506-L518 HydrophobicContact CG-CD1 4.23Å; L509-L518 HydrophobicContact CB-CB 4.2Å; L509-L518 HydrophobicContact CB-CD1 4.31Å; L509-L518 HydrophobicContact CD1-CB 4.24Å; L509-L518 HydrophobicContact CD1-CD1 4.09Å; K510-L518 HydrophobicContact CD-CD2 4.38Å; K510-L518 HydrophobicContact CG-CD2 3.74Å; K514-L518 PolarHBondContact O-N 3.29Å; Y515-L518 HydrophobicContact CD1-CD2 4.45Å; Y515-L518 PolarHBondContact O-N 2.71Å; L518-L520 VanDerWaalsContact C-N 3.35Å; L518-L521 HydrophobicContact CD1-CD2 4.28Å; L518-L521 WeakPolarHBondContact O-CB 3.46Å; L518-L521 PolarHBondContact O-N 3.46Å; L518-Y522 HydrophobicContact CD1-CD2 4.43Å; L518-Y522 HydrophobicContact CD1-CE1 4.09Å; L518-Y522 HydrophobicContact CD1-CE2 3.84Å; L518-Y522 HydrophobicContact CD2-CE2 4.01Å; L518-Y522 HydrophobicContact CG-CD2 4.12Å; L518-Y522 HydrophobicContact CG-CE2 3.59Å; L518-Y522 WeakPolarHBondContact O-CD2 3.22Å; L518-Y522 PolarHBondContact O-N 3.35Å; L518-L534 HydrophobicContact CB-CD2 4.22Å; L518-L534 HydrophobicContact CD2-CD1 3.75Å; L518-L534 HydrophobicContact CD2-CD2 4.08Å; L518-L534 HydrophobicContact CG-CD2 4.08Å
519F84.3Confident83.5Confident33 Ų3354.3 Ų54.315%0.14528%0.275CS..Hα-helixtrans-58.3-48.3173.1179.8-96.2000111Y515 S516 L521 Y522 E523 A531 L534 L535 Y555Y515-F519 WeakPolarHBondContact O-CB 3.43Å; Y515-F519 PolarHBondContact O-N 2.95Å; S516-F519 PolarHBondContact O-N 2.89Å; F519-L521 VanDerWaalsContact C-N 3.29Å; F519-L521 PolarHBondContact O-N 2.83Å; F519-Y522 PolarHBondContact O-N 3.38Å; F519-Y522 VanDerWaalsContact O-N 3.13Å; F519-E523 WeakPolarHBondContact O-CB 3.48Å; F519-E523 PolarHBondContact O-N 2.81Å; F519-A531 HydrophobicContact CD2-CB 4.13Å; F519-A531 HydrophobicContact CE2-CB 3.96Å; F519-L534 HydrophobicContact CB-CD2 4.07Å; F519-L535 HydrophobicContact CD2-CD1 4.23Å; F519-L535 HydrophobicContact CD2-CD2 4.05Å; F519-L535 HydrophobicContact CD2-CG 3.94Å; F519-L535 HydrophobicContact CE2-CD1 3.48Å; F519-L535 VanDerWaalsContact CE2-CD1 3.48Å; F519-L535 HydrophobicContact CE2-CD2 4.07Å; F519-L535 HydrophobicContact CE2-CG 3.7Å; F519-L535 HydrophobicContact CZ-CD1 4.09Å; F519-Y555 HydrophobicContact CE1-CD2 4.17Å; F519-Y555 HydrophobicContact CE1-CE2 4.39Å; F519-Y555 HydrophobicContact CE2-CD2 4.26Å; F519-Y555 HydrophobicContact CE2-CE2 4.38Å; F519-Y555 HydrophobicContact CE2-CG 4.44Å; F519-Y555 AromaticContact CZ-CD2 3.44Å; F519-Y555 HydrophobicContact CZ-CD2 3.44Å; F519-Y555 VanDerWaalsContact CZ-CD2 3.44Å; F519-Y555 AromaticContact CZ-CE2 3.78Å; F519-Y555 HydrophobicContact CZ-CE2 3.78Å; F519-Y555 AromaticContact CZ-CG 3.88Å; F519-Y555 HydrophobicContact CZ-CG 3.88Å
520L83.7Confident83.5Confident23 Ų2358 Ų5812%0.1229%0.291CS..Hα-helixtrans-59.4-38.4175.8179.971.3000112.2L493 R494 S516 E517 L518 R524L493-L520 HydrophobicContact CB-CD2 3.77Å; L493-L520 HydrophobicContact CB-CG 4.36Å; R494-L520 HydrophobicContact CG-CD1 4.24Å; R494-L520 HydrophobicContact CG-CD2 3.78Å; S516-L520 PolarHBondContact O-N 3.47Å; E517-L520 PolarHBondContact O-N 2.93Å; L518-L520 VanDerWaalsContact C-N 3.35Å; L520-R524 HydrophobicContact CD1-CG 4.39Å; L520-R524 WeakPolarHBondContact O-CB 3.42Å; L520-R524 VanDerWaalsContact O-CG 3.28Å; L520-R524 WeakPolarHBondContact O-CG 3.5Å; L520-R524 PolarHBondContact O-N 3.3Å
521L83.9Confident83.5Confident0 Ų054.3 Ų54.30%028%0.275CS..Hα-helixtrans-63-46.5174.7176.569.8000111L493 L509 E517 L518 F519 R524 K525L493-L521 HydrophobicContact CD2-CB 4.42Å; L493-L521 HydrophobicContact CD2-CD1 3.9Å; L509-L521 HydrophobicContact CD1-CB 4.44Å; L509-L521 HydrophobicContact CD1-CD2 4Å; E517-L521 WeakPolarHBondContact O-CB 3.45Å; E517-L521 PolarHBondContact O-N 3.28Å; L518-L521 HydrophobicContact CD1-CD2 4.28Å; L518-L521 WeakPolarHBondContact O-CB 3.46Å; L518-L521 PolarHBondContact O-N 3.46Å; F519-L521 VanDerWaalsContact C-N 3.29Å; F519-L521 PolarHBondContact O-N 2.83Å; L521-R524 PolarHBondContact O-N 3.24Å; L521-K525 HydrophobicContact CD1-CG 4.08Å; L521-K525 WeakPolarHBondContact O-CB 3.39Å; L521-K525 VanDerWaalsContact O-CG 3.25Å; L521-K525 WeakPolarHBondContact O-CG 3.45Å; L521-K525 PolarHBondContact O-N 3.42Å
522Y85.9Confident83.4Confident6 Ų647.3 Ų47.32%0.02424%0.242CC..Hα-helixtrans-66.2-41.5178.9-66.7-36.8000112.7E506 L518 F519 K525 S526 M527 K530 L534E506-Y522 VanDerWaalsContact CG-OH 3.24Å; E506-Y522 WeakPolarHBondContact CG-OH 3.23Å; E506-Y522 PolarHBondContact OE1-OH 3.48Å; E506-Y522 PolarHBondContact OE2-OH 3.45Å; L518-Y522 HydrophobicContact CD1-CD2 4.43Å; L518-Y522 HydrophobicContact CD1-CE1 4.09Å; L518-Y522 HydrophobicContact CD1-CE2 3.84Å; L518-Y522 HydrophobicContact CD2-CE2 4.01Å; L518-Y522 HydrophobicContact CG-CD2 4.12Å; L518-Y522 HydrophobicContact CG-CE2 3.59Å; L518-Y522 WeakPolarHBondContact O-CD2 3.22Å; L518-Y522 PolarHBondContact O-N 3.35Å; F519-Y522 PolarHBondContact O-N 3.38Å; F519-Y522 VanDerWaalsContact O-N 3.13Å; Y522-K525 CarbonylContact O-C 2.97Å; Y522-K525 PolarHBondContact O-N 3Å; Y522-S526 PolarHBondContact O-N 3.36Å; Y522-S526 VanDerWaalsContact O-N 3.17Å; Y522-M527 HydrophobicContact CD1-CB 4.21Å; Y522-M527 HydrophobicContact CD1-SD 4.38Å; Y522-M527 PolarHBondContact O-N 2.95Å; Y522-K530 HydrophobicContact CD1-CB 4.15Å; Y522-K530 HydrophobicContact CD1-CD 4.37Å; Y522-K530 HydrophobicContact CD2-CB 4.05Å; Y522-K530 HydrophobicContact CE1-CB 4.1Å; Y522-K530 HydrophobicContact CE1-CD 3.78Å; Y522-K530 HydrophobicContact CE2-CB 3.97Å; Y522-K530 HydrophobicContact CG-CB 4.13Å; Y522-L534 HydrophobicContact CD2-CD2 4.46Å; Y522-L534 HydrophobicContact CE2-CB 4.49Å; Y522-L534 HydrophobicContact CE2-CD2 4.42Å
523E83.6Confident83.6Confident67 Ų6748 Ų4831%0.31325%0.246SC..Hα-helixtrans-54.5-53.6172.1174.1-174.4-171.600110.9F519 K525 S526 Y555F519-E523 WeakPolarHBondContact O-CB 3.48Å; F519-E523 PolarHBondContact O-N 2.81Å; E523-K525 VanDerWaalsContact C-N 3.28Å; E523-K525 PolarHBondContact O-N 2.77Å; E523-S526 PolarHBondContact O-N 2.82Å; E523-S526 VanDerWaalsContact O-N 3.17Å; E523-Y555 HydrophobicContact CB-CE2 3.93Å; E523-Y555 HydrophobicContact CG-CE2 3.88Å
524R82.6Confident83.8Confident123 Ų12346.2 Ų46.246%0.46423%0.226SC..Hα-helixtrans-68-26.3-178.1-71.3-58.3-140.4-126.87113.9R494 L520 L521 S526R494-R524 PolarHBondContact O-NE 2.88Å; R494-R524 PolarHBondContact O-NH2 2.87Å; L520-R524 HydrophobicContact CD1-CG 4.39Å; L520-R524 WeakPolarHBondContact O-CB 3.42Å; L520-R524 VanDerWaalsContact O-CG 3.28Å; L520-R524 WeakPolarHBondContact O-CG 3.5Å; L520-R524 PolarHBondContact O-N 3.3Å; L521-R524 PolarHBondContact O-N 3.24Å; R524-S526 VanDerWaalsContact C-N 3.34Å
525K81.5Confident83.8Confident52 Ų5243.8 Ų43.823%0.22622%0.215CC..THydrogen-bonded Turntrans-90.78176.9-66.5-70.2-166.91770113.2N498 C500 I502 L521 Y522 E523 M527N498-K525 PolarHBondContact O-NZ 3.27Å; C500-K525 WeakPolarHBondContact O-CE 3.5Å; C500-K525 PolarHBondContact O-NZ 2.79Å; C500-K525 VanDerWaalsContact O-NZ 3.15Å; I502-K525 HydrophobicContact CD1-CB 4.3Å; I502-K525 HydrophobicContact CD1-CD 4.17Å; I502-K525 HydrophobicContact CD1-CG 4.2Å; I502-K525 HydrophobicContact CG1-CD 4.23Å; I502-K525 HydrophobicContact CG1-CG 4.2Å; L521-K525 HydrophobicContact CD1-CG 4.08Å; L521-K525 WeakPolarHBondContact O-CB 3.39Å; L521-K525 VanDerWaalsContact O-CG 3.25Å; L521-K525 WeakPolarHBondContact O-CG 3.45Å; L521-K525 PolarHBondContact O-N 3.42Å; Y522-K525 CarbonylContact O-C 2.97Å; Y522-K525 PolarHBondContact O-N 3Å; E523-K525 VanDerWaalsContact C-N 3.28Å; E523-K525 PolarHBondContact O-N 2.77Å; K525-M527 HydrophobicContact CB-CG 4.37Å; K525-M527 PolarHBondContact O-N 3.21Å
526S79.8Confident83.9Confident86 Ų8644.6 Ų44.660%0.60122%0.218SC*.THydrogen-bonded Turntrans55.127.4-176.759.40000114.1Y522 E523 R524 H528Y522-S526 PolarHBondContact O-N 3.36Å; Y522-S526 VanDerWaalsContact O-N 3.17Å; E523-S526 PolarHBondContact O-N 2.82Å; E523-S526 VanDerWaalsContact O-N 3.17Å; R524-S526 VanDerWaalsContact C-N 3.34Å; S526-H528 VanDerWaalsContact C-N 3.26Å; S526-H528 PolarHBondContact O-CD2 2.75Å; S526-H528 PolarHBondContact O-N 3.28Å
527M83.4Confident84Confident63 Ų6345.1 Ų45.131%0.3121%0.212SC..  trans-91.263.5176.2-72.4-170.7155.800109.9I502 Y522 K525 D529 K530 A531I502-M527 HydrophobicContact CD1-CE 3.58Å; I502-M527 HydrophobicContact CD1-SD 3.92Å; I502-M527 HydrophobicContact CG2-CE 4.22Å; I502-M527 HydrophobicContact CG2-SD 3.75Å; Y522-M527 HydrophobicContact CD1-CB 4.21Å; Y522-M527 HydrophobicContact CD1-SD 4.38Å; Y522-M527 PolarHBondContact O-N 2.95Å; K525-M527 HydrophobicContact CB-CG 4.37Å; K525-M527 PolarHBondContact O-N 3.21Å; M527-D529 VanDerWaalsContact C-N 3.32Å; M527-D529 PolarHBondContact O-N 3.41Å; M527-K530 HydrophobicContact CB-CB 4.42Å; M527-K530 PolarHBondContact O-N 2.98Å; M527-K530 HydrophobicContact SD-CD 4.15Å; M527-A531 PolarHBondContact O-N 2.91Å
528H85Confident83.9Confident35 Ų3545.9 Ų45.916%0.16222%0.216CC..Hα-helixtrans-60.8-38.1-170.7-56.9-62.7000113.4S526 A531 L532 Y555 L559 H563 L566S526-H528 VanDerWaalsContact C-N 3.26Å; S526-H528 PolarHBondContact O-CD2 2.75Å; S526-H528 PolarHBondContact O-N 3.28Å; H528-A531 WeakPolarHBondContact O-CB 3.35Å; H528-A531 PolarHBondContact O-N 3.43Å; H528-L532 WeakPolarHBondContact O-CG 3.22Å; H528-L532 PolarHBondContact O-N 2.86Å; H528-Y555 HydrophobicContact CB-CE1 4.26Å; H528-Y555 AromaticContact ND1-CE1 3.89Å; H528-Y555 AromaticContact ND1-CZ 3.57Å; H528-Y555 PolarHBondContact ND1-OH 2.98Å; H528-L559 HydrophobicContact CB-CD2 3.84Å; H528-H563 AromaticContact CD2-CD2 3.69Å; H528-H563 AromaticContact CD2-CE1 3.86Å; H528-H563 AromaticContact CD2-NE2 3.47Å; H528-H563 PolarHBondContact CD2-NE2 2.87Å; H528-H563 AromaticContact NE2-CD2 3.99Å; H528-H563 AromaticContact NE2-NE2 3.72Å; H528-L566 HydrophobicContact CB-CD2 3.64Å
529D85.1Confident83.5Confident74 Ų7446.9 Ų46.940%0.39622%0.223SC..Hα-helixtrans-61.7-50.1177.5-17549.2000111.9M527 A531 L532 Q533 L566 Y570M527-D529 VanDerWaalsContact C-N 3.32Å; M527-D529 PolarHBondContact O-N 3.41Å; D529-A531 VanDerWaalsContact C-N 3.29Å; D529-A531 PolarHBondContact O-N 2.89Å; D529-L532 PolarHBondContact O-N 3.42Å; D529-Q533 VanDerWaalsContact O-CB 3.3Å; D529-Q533 WeakPolarHBondContact O-CB 3.35Å; D529-Q533 PolarHBondContact O-N 3.36Å; D529-L566 HydrophobicContact CB-CD1 3.73Å; D529-Y570 PolarHBondContact O-OH 3.08Å; D529-Y570 VanDerWaalsContact O-OH 3.12Å; D529-Y570 PolarHBondContact OD1-OH 2.78Å
530K85.4Confident83.1Confident77 Ų7750.9 Ų50.934%0.33525%0.246SC..Hα-helixtrans-62.9-35.6175.7-71-169.3169.2-1660112.8E506 Y522 M527 L534E506-K530 IonicContact OE2-NZ 2.59Å; E506-K530 PolarHBondContact OE2-NZ 3.42Å; Y522-K530 HydrophobicContact CD1-CB 4.15Å; Y522-K530 HydrophobicContact CD1-CD 4.37Å; Y522-K530 HydrophobicContact CD2-CB 4.05Å; Y522-K530 HydrophobicContact CE1-CB 4.1Å; Y522-K530 HydrophobicContact CE1-CD 3.78Å; Y522-K530 HydrophobicContact CE2-CB 3.97Å; Y522-K530 HydrophobicContact CG-CB 4.13Å; M527-K530 HydrophobicContact CB-CB 4.42Å; M527-K530 PolarHBondContact O-N 2.98Å; M527-K530 HydrophobicContact SD-CD 4.15Å; K530-L534 WeakPolarHBondContact O-CB 3.47Å; K530-L534 PolarHBondContact O-N 3.45Å
531A85.5Confident82.5Confident0 Ų057.3 Ų57.30%028%0.276CS..Hα-helixtrans-63.6-46.1177.100000111.4F519 M527 H528 D529 L534 L535 Y555F519-A531 HydrophobicContact CD2-CB 4.13Å; F519-A531 HydrophobicContact CE2-CB 3.96Å; M527-A531 PolarHBondContact O-N 2.91Å; H528-A531 WeakPolarHBondContact O-CB 3.35Å; H528-A531 PolarHBondContact O-N 3.43Å; D529-A531 VanDerWaalsContact C-N 3.29Å; D529-A531 PolarHBondContact O-N 2.89Å; A531-L534 WeakPolarHBondContact O-CB 3.47Å; A531-L534 PolarHBondContact O-N 3.42Å; A531-L535 PolarHBondContact O-N 3.04Å; A531-L535 VanDerWaalsContact O-N 3.14Å; A531-Y555 HydrophobicContact CB-CE1 3.99Å
532L83.8Confident81.2Confident0 Ų059 Ų590%029%0.29CS..Hα-helixtrans-73.1-36.7178.8-70.7173.6000112.1H528 D529 L534 L535 R536 Y555 L556 L559 L566 Y570H528-L532 WeakPolarHBondContact O-CG 3.22Å; H528-L532 PolarHBondContact O-N 2.86Å; D529-L532 PolarHBondContact O-N 3.42Å; L532-L534 VanDerWaalsContact C-N 3.3Å; L532-L534 PolarHBondContact O-N 3.15Å; L532-L535 HydrophobicContact CD2-CD1 4.31Å; L532-L535 PolarHBondContact O-N 3.04Å; L532-R536 WeakPolarHBondContact O-CB 3.32Å; L532-R536 PolarHBondContact O-N 3.45Å; L532-Y555 HydrophobicContact CD1-CD1 4.48Å; L532-Y555 HydrophobicContact CD2-CD1 3.64Å; L532-Y555 HydrophobicContact CD2-CE1 4.31Å; L532-Y555 HydrophobicContact CG-CD1 3.91Å; L532-Y555 HydrophobicContact CG-CE1 4.08Å; L532-L556 HydrophobicContact CD1-CD2 3.6Å; L532-L556 HydrophobicContact CD2-CD2 4.09Å; L532-L556 HydrophobicContact CD2-CG 4.23Å; L532-L559 HydrophobicContact CD1-CD1 4.1Å; L532-L566 HydrophobicContact CD1-CD2 3.48Å; L532-L566 VanDerWaalsContact CD1-CD2 3.48Å; L532-L566 HydrophobicContact CD1-CG 4.14Å; L532-Y570 HydrophobicContact CB-CD1 3.67Å; L532-Y570 HydrophobicContact CB-CD2 3.83Å; L532-Y570 HydrophobicContact CB-CE1 3.43Å; L532-Y570 VanDerWaalsContact CB-CE1 3.43Å; L532-Y570 HydrophobicContact CB-CE2 3.63Å; L532-Y570 HydrophobicContact CB-CG 3.86Å; L532-Y570 VanDerWaalsContact CB-CZ 3.42Å; L532-Y570 HydrophobicContact CD1-CD1 4.38Å; L532-Y570 HydrophobicContact CD1-CD2 3.31Å; L532-Y570 HydrophobicContact CD1-CE2 3.71Å; L532-Y570 HydrophobicContact CD1-CG 3.7Å; L532-Y570 HydrophobicContact CG-CD2 4.19Å; L532-Y570 HydrophobicContact CG-CE2 4.33Å; L532-Y570 HydrophobicContact CG-CG 4.28Å
533Q86.8Confident79.8Confident90 Ų9067.2 Ų67.242%0.42133%0.334SS..Hα-helixtrans-60.9-40.6171.7-171.6174.616.500111.3D529 L535 R536 E537 Y570D529-Q533 VanDerWaalsContact O-CB 3.3Å; D529-Q533 WeakPolarHBondContact O-CB 3.35Å; D529-Q533 PolarHBondContact O-N 3.36Å; Q533-L535 PolarHBondContact O-N 3.2Å; Q533-R536 WeakPolarHBondContact O-CB 3.34Å; Q533-R536 PolarHBondContact O-N 3.29Å; Q533-E537 WeakPolarHBondContact O-CG 3.29Å; Q533-E537 PolarHBondContact O-N 3.07Å; Q533-Y570 PolarHBondContact N-OH 3.4Å
534L84.8Confident78.4Confident4 Ų468.6 Ų68.62%0.02135%0.347CS..Hα-helixtrans-61.6-43.5174.1-170.579.2000111.4Y515 L518 F519 Y522 K530 A531 L532 R536 E537 Q538Y515-L534 HydrophobicContact CD1-CD1 4.08Å; L518-L534 HydrophobicContact CB-CD2 4.22Å; L518-L534 HydrophobicContact CD2-CD1 3.75Å; L518-L534 HydrophobicContact CD2-CD2 4.08Å; L518-L534 HydrophobicContact CG-CD2 4.08Å; F519-L534 HydrophobicContact CB-CD2 4.07Å; Y522-L534 HydrophobicContact CD2-CD2 4.46Å; Y522-L534 HydrophobicContact CE2-CB 4.49Å; Y522-L534 HydrophobicContact CE2-CD2 4.42Å; K530-L534 WeakPolarHBondContact O-CB 3.47Å; K530-L534 PolarHBondContact O-N 3.45Å; A531-L534 WeakPolarHBondContact O-CB 3.47Å; A531-L534 PolarHBondContact O-N 3.42Å; L532-L534 VanDerWaalsContact C-N 3.3Å; L532-L534 PolarHBondContact O-N 3.15Å; L534-R536 VanDerWaalsContact C-N 3.29Å; L534-R536 PolarHBondContact O-N 2.86Å; L534-E537 PolarHBondContact O-N 3.02Å; L534-Q538 WeakPolarHBondContact O-CB 3.34Å; L534-Q538 VanDerWaalsContact O-CG 3.29Å; L534-Q538 WeakPolarHBondContact O-CG 3.33Å; L534-Q538 PolarHBondContact O-N 3.29Å
535L83.3Confident77.2Confident2 Ų264.8 Ų64.81%0.0135%0.346CS..Hα-helixtrans-64.1-36.2175.7-69.5178.6000112F519 A531 L532 Q533 Q538 A539 I548 A552F519-L535 HydrophobicContact CD2-CD1 4.23Å; F519-L535 HydrophobicContact CD2-CD2 4.05Å; F519-L535 HydrophobicContact CD2-CG 3.94Å; F519-L535 HydrophobicContact CE2-CD1 3.48Å; F519-L535 VanDerWaalsContact CE2-CD1 3.48Å; F519-L535 HydrophobicContact CE2-CD2 4.07Å; F519-L535 HydrophobicContact CE2-CG 3.7Å; F519-L535 HydrophobicContact CZ-CD1 4.09Å; A531-L535 PolarHBondContact O-N 3.04Å; A531-L535 VanDerWaalsContact O-N 3.14Å; L532-L535 HydrophobicContact CD2-CD1 4.31Å; L532-L535 PolarHBondContact O-N 3.04Å; Q533-L535 PolarHBondContact O-N 3.2Å; L535-Q538 PolarHBondContact O-N 3.24Å; L535-A539 WeakPolarHBondContact O-CB 3.32Å; L535-A539 PolarHBondContact O-N 3.25Å; L535-I548 HydrophobicContact CB-CG2 4.3Å; L535-I548 HydrophobicContact CD2-CG2 4.25Å; L535-I548 WeakPolarHBondContact O-CG2 3.45Å; L535-A552 HydrophobicContact CD1-CB 3.94Å
536R83.8Confident76.2Confident101 Ų10165.9 Ų65.938%0.38136%0.359SS..Hα-helixtrans-65.9-47.4174.9-177.1177.2-179.4177.53.8111.9L532 Q533 L534 Q538 A539 D540 W573L532-R536 WeakPolarHBondContact O-CB 3.32Å; L532-R536 PolarHBondContact O-N 3.45Å; Q533-R536 WeakPolarHBondContact O-CB 3.34Å; Q533-R536 PolarHBondContact O-N 3.29Å; L534-R536 VanDerWaalsContact C-N 3.29Å; L534-R536 PolarHBondContact O-N 2.86Å; R536-Q538 VanDerWaalsContact C-N 3.29Å; R536-Q538 PolarHBondContact O-N 3.01Å; R536-A539 WeakPolarHBondContact O-CB 3.14Å; R536-A539 PolarHBondContact O-N 3.18Å; R536-A539 VanDerWaalsContact O-N 3.15Å; R536-D540 PolarHBondContact O-N 3.43Å; R536-W573 HydrophobicContact CB-CH2 4.12Å; R536-W573 HydrophobicContact CB-CZ2 4.04Å; R536-W573 HydrophobicContact CB-CZ3 4.41Å; R536-W573 HydrophobicContact CG-CD2 4.22Å; R536-W573 HydrophobicContact CG-CZ2 4.05Å
537E83.7Confident76Confident85 Ų8567.7 Ų67.740%0.39736%0.358SS..Hα-helixtrans-59.2-41.4175.2-72.9172.6-176.500111.3Q533 L534 D540 E541Q533-E537 WeakPolarHBondContact O-CG 3.29Å; Q533-E537 PolarHBondContact O-N 3.07Å; L534-E537 PolarHBondContact O-N 3.02Å; E537-D540 PolarHBondContact O-N 3.21Å; E537-E541 WeakPolarHBondContact O-CG 3.21Å; E537-E541 PolarHBondContact O-N 3.37Å
538Q80.5Confident75.7Confident43 Ų4365.4 Ų65.420%0.20135%0.347CS..Hα-helixtrans-67.2-33.9175.9-73.8-170-37.100113.6L534 L535 R536 A542 I548L534-Q538 WeakPolarHBondContact O-CB 3.34Å; L534-Q538 VanDerWaalsContact O-CG 3.29Å; L534-Q538 WeakPolarHBondContact O-CG 3.33Å; L534-Q538 PolarHBondContact O-N 3.29Å; L535-Q538 PolarHBondContact O-N 3.24Å; R536-Q538 VanDerWaalsContact C-N 3.29Å; R536-Q538 PolarHBondContact O-N 3.01Å; Q538-A542 WeakPolarHBondContact O-CB 3.24Å; Q538-A542 PolarHBondContact O-N 3.05Å; Q538-I548 HydrophobicContact CB-CD1 4.14Å
539A77.6Confident75.4Confident20 Ų2064.9 Ų64.917%0.16534%0.344CS..Hα-helixtrans-69.8-35.7175.300000111.7L535 R536 I548 F549 W573L535-A539 WeakPolarHBondContact O-CB 3.32Å; L535-A539 PolarHBondContact O-N 3.25Å; R536-A539 WeakPolarHBondContact O-CB 3.14Å; R536-A539 PolarHBondContact O-N 3.18Å; R536-A539 VanDerWaalsContact O-N 3.15Å; A539-I548 HydrophobicContact CB-CG2 4.18Å; A539-F549 HydrophobicContact CB-CZ 4.41Å; A539-W573 HydrophobicContact CB-CH2 4.21Å; A539-W573 HydrophobicContact CB-CZ2 3.65Å
540D76Confident75.2Confident117 Ų11765.1 Ų65.163%0.62635%0.345SS*.Hα-helixtrans-72.9-35.7177.9-69.2-15.7000112R536 E537R536-D540 PolarHBondContact O-N 3.43Å; E537-D540 PolarHBondContact O-N 3.21Å
541E69.7Low75Confident159 Ų15967.3 Ų67.374%0.74335%0.352SS*.Hα-helixtrans-79.5-19.7-179-75-171.8171.100114.1E537E537-E541 WeakPolarHBondContact O-CG 3.21Å; E537-E541 PolarHBondContact O-N 3.37Å
542A57.3Low74.9Confident35 Ų3567.3 Ų67.329%0.28935%0.352SS..  trans-124.1124.7-166.400000111.2Q538 V544Q538-A542 WeakPolarHBondContact O-CB 3.24Å; Q538-A542 PolarHBondContact O-N 3.05Å; A542-V544 HydrophobicContact CB-CB 3.55Å; A542-V544 HydrophobicContact CB-CG2 3.56Å; A542-V544 PolarHBondContact O-N 2.87Å
543D57.3Low74.9Confident179 Ų17967.7 Ų67.796%0.95735%0.354SS*.  trans-64.822.6159.8-151.715.4000111.3G545D543-G545 PolarHBondContact O-N 3.26Å
544V53.3Low74.7Confident96 Ų9666 Ų6658%0.58235%0.352SS*.  trans-103.183.2-165.7-177.60000108.6A542 I548A542-V544 HydrophobicContact CB-CB 3.55Å; A542-V544 HydrophobicContact CB-CG2 3.56Å; A542-V544 PolarHBondContact O-N 2.87Å; V544-I548 WeakPolarHBondContact O-CD1 3.36Å
545G57.3Low74.6Confident43 Ų4366.5 Ų66.544%0.44335%0.354SS..  trans73.1150.8131.100000118.5D543 E547D543-G545 PolarHBondContact O-N 3.26Å; G545-E547 PolarHBondContact O-N 2.92Å
546C61.2Low74.5Confident74 Ų7466.5 Ų66.550%0.535%0.354SS..Hα-helixtrans-53.9-21.8175.6-65.10000114.7I548 F549 D550 K578C546-I548 PolarHBondContact O-N 3.47Å; C546-F549 PolarHBondContact O-N 3.21Å; C546-D550 VanDerWaalsContact O-CG 3.3Å; C546-D550 PolarHBondContact O-N 3.12Å; C546-K578 PolarHBondContact SG-NZ 3.19Å
547E74.5Confident74.5Confident125 Ų12562.5 Ų62.558%0.58434%0.34SS*.Hα-helixtrans-61.2-35.4-174.1-62.6-172.7-167.500114.5G545 D550 R551G545-E547 PolarHBondContact O-N 2.92Å; E547-D550 PolarHBondContact O-N 3.48Å; E547-R551 WeakPolarHBondContact O-CB 3.32Å; E547-R551 VanDerWaalsContact O-CG 3.29Å; E547-R551 WeakPolarHBondContact O-CG 3.24Å; E547-R551 PolarHBondContact O-N 2.99Å; E547-R551 IonicContact OE2-NH2 2.9Å; E547-R551 PolarHBondContact OE2-NH2 3.37Å
548I78.4Confident74.3Confident14 Ų1463.2 Ų63.27%0.07235%0.346CS..Hα-helixtrans-67.8-43.8180-60.1173.8000109.6L535 Q538 A539 V544 C546 R551 A552L535-I548 HydrophobicContact CB-CG2 4.3Å; L535-I548 HydrophobicContact CD2-CG2 4.25Å; L535-I548 WeakPolarHBondContact O-CG2 3.45Å; Q538-I548 HydrophobicContact CB-CD1 4.14Å; A539-I548 HydrophobicContact CB-CG2 4.18Å; V544-I548 WeakPolarHBondContact O-CD1 3.36Å; C546-I548 PolarHBondContact O-N 3.47Å; I548-R551 PolarHBondContact O-N 3.44Å; I548-A552 WeakPolarHBondContact O-CB 3.47Å; I548-A552 PolarHBondContact O-N 3.13Å
549F79Confident74.2Confident24 Ų2461.5 Ų61.511%0.10534%0.338CS..Hα-helixtrans-65.9-40.8176.3-67-80000111.4A539 C546 R551 A552 V553 W573 E577 K578 L581A539-F549 HydrophobicContact CB-CZ 4.41Å; C546-F549 PolarHBondContact O-N 3.21Å; F549-R551 VanDerWaalsContact C-N 3.33Å; F549-R551 PolarHBondContact O-N 3.12Å; F549-A552 PolarHBondContact O-N 3.28Å; F549-V553 WeakPolarHBondContact O-CB 3.47Å; F549-V553 WeakPolarHBondContact O-CG2 3.38Å; F549-V553 PolarHBondContact O-N 3.3Å; F549-W573 HydrophobicContact CE1-CH2 4.36Å; F549-W573 AromaticContact CE1-CZ2 3.97Å; F549-W573 HydrophobicContact CE1-CZ2 3.97Å; F549-E577 HydrophobicContact CE1-CB 3.82Å; F549-E577 HydrophobicContact CE1-CG 4.19Å; F549-E577 HydrophobicContact CZ-CB 3.86Å; F549-E577 HydrophobicContact CZ-CG 4.11Å; F549-K578 HydrophobicContact CD2-CD 4.24Å; F549-K578 HydrophobicContact CG-CD 4.27Å; F549-L581 HydrophobicContact CB-CD1 3.69Å
550D81.1Confident74Confident79 Ų7961.7 Ų61.742%0.42234%0.342SS..Hα-helixtrans-63.3-39.6175.9-66.4-35.4000111.4C546 E547 V553 S554C546-D550 VanDerWaalsContact O-CG 3.3Å; C546-D550 PolarHBondContact O-N 3.12Å; E547-D550 PolarHBondContact O-N 3.48Å; D550-V553 PolarHBondContact O-N 3.43Å; D550-S554 WeakPolarHBondContact O-CB 3.37Å; D550-S554 PolarHBondContact O-N 3.47Å
551R80.2Confident73.9Confident124 Ų12458.1 Ų58.147%0.46833%0.329SS..Hα-helixtrans-66.3-41.2172.9-73.3180-156.616311.3112.3E547 I548 F549 S554 Y555E547-R551 WeakPolarHBondContact O-CB 3.32Å; E547-R551 VanDerWaalsContact O-CG 3.29Å; E547-R551 WeakPolarHBondContact O-CG 3.24Å; E547-R551 PolarHBondContact O-N 2.99Å; E547-R551 IonicContact OE2-NH2 2.9Å; E547-R551 PolarHBondContact OE2-NH2 3.37Å; I548-R551 PolarHBondContact O-N 3.44Å; F549-R551 VanDerWaalsContact C-N 3.33Å; F549-R551 PolarHBondContact O-N 3.12Å; R551-S554 PolarHBondContact O-N 2.86Å; R551-Y555 VanDerWaalsContact O-CB 3.27Å; R551-Y555 WeakPolarHBondContact O-CB 3.3Å; R551-Y555 PolarHBondContact O-N 3.46Å
552A83.9Confident74.1Confident0 Ų057.9 Ų57.90%033%0.333CS..Hα-helixtrans-62.8-44.1175.800000110.9L535 I548 F549 Y555 L556 W573 I574L535-A552 HydrophobicContact CD1-CB 3.94Å; I548-A552 WeakPolarHBondContact O-CB 3.47Å; I548-A552 PolarHBondContact O-N 3.13Å; F549-A552 PolarHBondContact O-N 3.28Å; A552-Y555 PolarHBondContact O-N 2.76Å; A552-L556 WeakPolarHBondContact O-CB 3.25Å; A552-L556 WeakPolarHBondContact O-CG 3.25Å; A552-L556 PolarHBondContact O-N 3Å; A552-W573 HydrophobicContact CB-CZ3 4.22Å; A552-I574 HydrophobicContact CB-CD1 4.27Å
553V82.5Confident75.1Confident7 Ų759.8 Ų59.84%0.04234%0.335CS..Hα-helixtrans-61.5-49.5176170.90000110.6F549 D550 Y555 L556 Q557 I574 L581 K584 I585F549-V553 WeakPolarHBondContact O-CB 3.47Å; F549-V553 WeakPolarHBondContact O-CG2 3.38Å; F549-V553 PolarHBondContact O-N 3.3Å; D550-V553 PolarHBondContact O-N 3.43Å; V553-Y555 VanDerWaalsContact C-N 3.3Å; V553-Y555 PolarHBondContact O-N 3.43Å; V553-L556 PolarHBondContact O-N 2.58Å; V553-Q557 HydrophobicContact CG1-CG 4.39Å; V553-Q557 WeakPolarHBondContact O-CB 3.05Å; V553-Q557 VanDerWaalsContact O-CG 3.23Å; V553-Q557 WeakPolarHBondContact O-CG 3.39Å; V553-Q557 PolarHBondContact O-N 3.34Å; V553-I574 HydrophobicContact CG2-CD1 4.2Å; V553-L581 HydrophobicContact CG2-CB 4.14Å; V553-L581 HydrophobicContact CG2-CD1 4.44Å; V553-K584 HydrophobicContact CG1-CB 4.33Å; V553-I585 HydrophobicContact CB-CG1 4.32Å; V553-I585 HydrophobicContact CG1-CG1 3.96Å; V553-I585 HydrophobicContact CG2-CD1 4.35Å; V553-I585 HydrophobicContact CG2-CG1 3.87Å
554S83.6Confident76.1Confident55 Ų5552.1 Ų52.139%0.38529%0.294SS..Hα-helixtrans-58.7-42.4176.4-173.50000111.8D550 R551 Q557 D558D550-S554 WeakPolarHBondContact O-CB 3.37Å; D550-S554 PolarHBondContact O-N 3.47Å; R551-S554 PolarHBondContact O-N 2.86Å; S554-Q557 PolarHBondContact O-N 2.87Å; S554-D558 PolarHBondContact O-N 3.31Å
555Y81.9Confident77.5Confident14 Ų1453.7 Ų53.76%0.05530%0.299CS..Hα-helixtrans-66.8-39.6178.7-167-102.2000112.4F519 E523 H528 A531 L532 R551 A552 V553 Q557 D558 L559F519-Y555 HydrophobicContact CE1-CD2 4.17Å; F519-Y555 HydrophobicContact CE1-CE2 4.39Å; F519-Y555 HydrophobicContact CE2-CD2 4.26Å; F519-Y555 HydrophobicContact CE2-CE2 4.38Å; F519-Y555 HydrophobicContact CE2-CG 4.44Å; F519-Y555 AromaticContact CZ-CD2 3.44Å; F519-Y555 HydrophobicContact CZ-CD2 3.44Å; F519-Y555 VanDerWaalsContact CZ-CD2 3.44Å; F519-Y555 AromaticContact CZ-CE2 3.78Å; F519-Y555 HydrophobicContact CZ-CE2 3.78Å; F519-Y555 AromaticContact CZ-CG 3.88Å; F519-Y555 HydrophobicContact CZ-CG 3.88Å; E523-Y555 HydrophobicContact CB-CE2 3.93Å; E523-Y555 HydrophobicContact CG-CE2 3.88Å; H528-Y555 HydrophobicContact CB-CE1 4.26Å; H528-Y555 AromaticContact ND1-CE1 3.89Å; H528-Y555 AromaticContact ND1-CZ 3.57Å; H528-Y555 PolarHBondContact ND1-OH 2.98Å; A531-Y555 HydrophobicContact CB-CE1 3.99Å; L532-Y555 HydrophobicContact CD1-CD1 4.48Å; L532-Y555 HydrophobicContact CD2-CD1 3.64Å; L532-Y555 HydrophobicContact CD2-CE1 4.31Å; L532-Y555 HydrophobicContact CG-CD1 3.91Å; L532-Y555 HydrophobicContact CG-CE1 4.08Å; R551-Y555 VanDerWaalsContact O-CB 3.27Å; R551-Y555 WeakPolarHBondContact O-CB 3.3Å; R551-Y555 PolarHBondContact O-N 3.46Å; A552-Y555 PolarHBondContact O-N 2.76Å; V553-Y555 VanDerWaalsContact C-N 3.3Å; V553-Y555 PolarHBondContact O-N 3.43Å; Y555-Q557 VanDerWaalsContact C-N 3.34Å; Y555-D558 PolarHBondContact O-N 3.17Å; Y555-L559 HydrophobicContact CD1-CD1 3.66Å; Y555-L559 HydrophobicContact CD1-CG 4.44Å; Y555-L559 HydrophobicContact CE1-CD1 3.81Å; Y555-L559 HydrophobicContact CE1-CG 4.4Å; Y555-L559 WeakPolarHBondContact O-CD1 3.39Å; Y555-L559 WeakPolarHBondContact O-CG 3.38Å; Y555-L559 PolarHBondContact O-N 3.13Å; Y555-L559 VanDerWaalsContact O-N 3.08Å
556L82.8Confident78.6Confident2 Ų253 Ų531%0.0129%0.285CS..Hα-helixtrans-67.2-32.3174.1-72.2178.5000112.7L532 A552 V553 L559 I567 I574 I585L532-L556 HydrophobicContact CD1-CD2 3.6Å; L532-L556 HydrophobicContact CD2-CD2 4.09Å; L532-L556 HydrophobicContact CD2-CG 4.23Å; A552-L556 WeakPolarHBondContact O-CB 3.25Å; A552-L556 WeakPolarHBondContact O-CG 3.25Å; A552-L556 PolarHBondContact O-N 3Å; V553-L556 PolarHBondContact O-N 2.58Å; L556-L559 HydrophobicContact CD2-CD1 3.74Å; L556-L559 WeakPolarHBondContact O-CB 3.19Å; L556-I567 HydrophobicContact CD2-CB 4.35Å; L556-I567 HydrophobicContact CD2-CG1 4.13Å; L556-I567 HydrophobicContact CD2-CG2 4.41Å; L556-I574 HydrophobicContact CD1-CD1 3.48Å; L556-I574 VanDerWaalsContact CD1-CD1 3.48Å; L556-I585 HydrophobicContact CB-CG2 4.1Å; L556-I585 HydrophobicContact CD1-CD1 4.14Å
557Q82.8Confident79.6Confident18 Ų1849.5 Ų49.58%0.08426%0.261CS..Hα-helixtrans-69.8-38.5173.4-72.1164.5-16.200111.4V553 S554 Y555 L559 K584 E588 P592 V593V553-Q557 HydrophobicContact CG1-CG 4.39Å; V553-Q557 WeakPolarHBondContact O-CB 3.05Å; V553-Q557 VanDerWaalsContact O-CG 3.23Å; V553-Q557 WeakPolarHBondContact O-CG 3.39Å; V553-Q557 PolarHBondContact O-N 3.34Å; S554-Q557 PolarHBondContact O-N 2.87Å; Y555-Q557 VanDerWaalsContact C-N 3.34Å; Q557-L559 VanDerWaalsContact C-N 3.27Å; Q557-L559 PolarHBondContact O-N 3.49Å; Q557-K584 PolarHBondContact NE2-O 3.4Å; Q557-E588 HydrophobicContact CG-CB 4.14Å; Q557-E588 VanDerWaalsContact NE2-CB 3.26Å; Q557-P592 WeakPolarHBondContact O-CB 3.37Å; Q557-P592 WeakPolarHBondContact O-CG 3.39Å; Q557-V593 HydrophobicContact CB-CG2 3.95Å; Q557-V593 HydrophobicContact CG-CG2 4.12Å
558D79.8Confident80.1Confident100 Ų10044.3 Ų44.354%0.53524%0.238SC..Hα-helixtrans-73.1-20.8177.2-69.8-27.4000112.9S554 Y555 G560S554-D558 PolarHBondContact O-N 3.31Å; Y555-D558 PolarHBondContact O-N 3.17Å; D558-G560 PolarHBondContact O-N 3.09Å
559L77.6Confident80.4Confident6 Ų648.8 Ų48.83%0.03126%0.259CS..SBendtrans-68.1114.1174-84.6154000110.3H528 L532 Y555 L556 Q557 H563 L566 I567H528-L559 HydrophobicContact CB-CD2 3.84Å; L532-L559 HydrophobicContact CD1-CD1 4.1Å; Y555-L559 HydrophobicContact CD1-CD1 3.66Å; Y555-L559 HydrophobicContact CD1-CG 4.44Å; Y555-L559 HydrophobicContact CE1-CD1 3.81Å; Y555-L559 HydrophobicContact CE1-CG 4.4Å; Y555-L559 WeakPolarHBondContact O-CD1 3.39Å; Y555-L559 WeakPolarHBondContact O-CG 3.38Å; Y555-L559 PolarHBondContact O-N 3.13Å; Y555-L559 VanDerWaalsContact O-N 3.08Å; L556-L559 HydrophobicContact CD2-CD1 3.74Å; L556-L559 WeakPolarHBondContact O-CB 3.19Å; Q557-L559 VanDerWaalsContact C-N 3.27Å; Q557-L559 PolarHBondContact O-N 3.49Å; L559-H563 HydrophobicContact CD2-CB 3.68Å; L559-L566 HydrophobicContact CD1-CD2 4.37Å; L559-I567 HydrophobicContact CB-CD1 3.93Å; L559-I567 HydrophobicContact CB-CG1 4.04Å
560G74.7Confident80.6Confident24 Ų2448 Ų4825%0.24726%0.256CS..  trans-70.3175.4177.100000114.3D558 N562 H563D558-G560 PolarHBondContact O-N 3.09Å; G560-N562 PolarHBondContact O-N 2.95Å; G560-H563 PolarHBondContact O-N 3.43Å; G560-H563 VanDerWaalsContact O-N 3.08Å
561A72.6Confident80.8Confident42 Ų4244.3 Ų44.335%0.34724%0.235SC..G310 helixtrans-54.9-22.6-175.100000115.7H563 F564 L596A561-H563 PolarHBondContact O-N 3.47Å; A561-F564 PolarHBondContact O-N 3.36Å; A561-L596 HydrophobicContact CB-CD2 4.28Å
562N74.6Confident81Confident154 Ų15442.2 Ų42.282%0.82423%0.23SC*.G310 helixtrans-65.8-20.7179.1-65.6-26000113.7G560G560-N562 PolarHBondContact O-N 2.95Å
563H77Confident81Confident75 Ų7542.8 Ų42.835%0.34723%0.232SC..G310 helixtrans-11225.3-178.1-62.2-60.8000112.7H528 L559 G560 A561 D565 L566 I567H528-H563 AromaticContact CD2-CD2 3.69Å; H528-H563 AromaticContact CD2-CE1 3.86Å; H528-H563 AromaticContact CD2-NE2 3.47Å; H528-H563 PolarHBondContact CD2-NE2 2.87Å; H528-H563 AromaticContact NE2-CD2 3.99Å; H528-H563 AromaticContact NE2-NE2 3.72Å; L559-H563 HydrophobicContact CD2-CB 3.68Å; G560-H563 PolarHBondContact O-N 3.43Å; G560-H563 VanDerWaalsContact O-N 3.08Å; A561-H563 PolarHBondContact O-N 3.47Å; H563-D565 VanDerWaalsContact C-N 3.28Å; H563-D565 PolarHBondContact O-N 3.26Å; H563-L566 HydrophobicContact CB-CB 4.32Å; H563-L566 WeakPolarHBondContact O-CA 3.44Å; H563-L566 VanDerWaalsContact O-CB 3.27Å; H563-L566 WeakPolarHBondContact O-CB 3.32Å; H563-L566 PolarHBondContact O-N 2.99Å; H563-I567 WeakPolarHBondContact O-CG1 3.44Å; H563-I567 PolarHBondContact O-N 3.32Å
564F78.9Confident81.1Confident18 Ų1842.5 Ų42.58%0.07923%0.23CC..Hα-helixtrans-52.1-42.2-177.3-173.6-97.7000113.9A561 L566 I567 C568 L596 K600 V601A561-F564 PolarHBondContact O-N 3.36Å; F564-L566 VanDerWaalsContact C-N 3.3Å; F564-L566 PolarHBondContact O-N 3.31Å; F564-I567 WeakPolarHBondContact O-CB 3.41Å; F564-I567 PolarHBondContact O-N 2.84Å; F564-C568 WeakPolarHBondContact CE1-SG 3.35Å; F564-C568 WeakPolarHBondContact CZ-SG 3.37Å; F564-C568 PolarHBondContact O-N 3.17Å; F564-C568 PolarHBondContact O-SG 2.73Å; F564-L596 HydrophobicContact CD2-CD2 4.27Å; F564-K600 HydrophobicContact CD1-CB 4.31Å; F564-K600 HydrophobicContact CD1-CD 3.93Å; F564-K600 HydrophobicContact CE1-CB 3.47Å; F564-K600 VanDerWaalsContact CE1-CB 3.47Å; F564-K600 HydrophobicContact CE1-CD 3.86Å; F564-K600 HydrophobicContact CE1-CG 4.32Å; F564-K600 HydrophobicContact CE2-CB 4.17Å; F564-K600 HydrophobicContact CZ-CB 3.39Å; F564-K600 HydrophobicContact CZ-CD 4.47Å; F564-V601 HydrophobicContact CE2-CG2 3.64Å; F564-V601 HydrophobicContact CZ-CG2 4.17Å
565D82.3Confident81Confident130 Ų13041 Ų4170%0.69522%0.218SC*.Hα-helixtrans-64.2-37.4-179.6-58.5-36.2000111.8H563 C568 E569H563-D565 VanDerWaalsContact C-N 3.28Å; H563-D565 PolarHBondContact O-N 3.26Å; D565-C568 PolarHBondContact O-N 3.26Å; D565-E569 PolarHBondContact O-N 2.94Å
566L81.7Confident81Confident29 Ų2947.6 Ų47.615%0.15225%0.249CC..Hα-helixtrans-66.1-44.6174.3-159.896.5000110.3H528 D529 L532 L559 H563 F564 C568 E569 Y570H528-L566 HydrophobicContact CB-CD2 3.64Å; D529-L566 HydrophobicContact CB-CD1 3.73Å; L532-L566 HydrophobicContact CD1-CD2 3.48Å; L532-L566 VanDerWaalsContact CD1-CD2 3.48Å; L532-L566 HydrophobicContact CD1-CG 4.14Å; L559-L566 HydrophobicContact CD1-CD2 4.37Å; H563-L566 HydrophobicContact CB-CB 4.32Å; H563-L566 WeakPolarHBondContact O-CA 3.44Å; H563-L566 VanDerWaalsContact O-CB 3.27Å; H563-L566 WeakPolarHBondContact O-CB 3.32Å; H563-L566 PolarHBondContact O-N 2.99Å; F564-L566 VanDerWaalsContact C-N 3.3Å; F564-L566 PolarHBondContact O-N 3.31Å; L566-C568 VanDerWaalsContact C-N 3.29Å; L566-C568 PolarHBondContact O-N 3.2Å; L566-E569 PolarHBondContact O-N 3.21Å; L566-Y570 HydrophobicContact CD1-CE2 4.08Å; L566-Y570 HydrophobicContact CD2-CE2 4.47Å; L566-Y570 HydrophobicContact CG-CD2 3.97Å; L566-Y570 HydrophobicContact CG-CE2 3.89Å; L566-Y570 VanDerWaalsContact O-CD2 3.31Å; L566-Y570 WeakPolarHBondContact O-CD2 3.21Å; L566-Y570 PolarHBondContact O-N 3.41Å
567I82.6Confident80.9Confident0 Ų053.1 Ų53.10%028%0.275CS..Hα-helixtrans-58.1-45.5176.1-60.9168.8000109.9L556 L559 H563 F564 E569 A571 I585 F586 L596L556-I567 HydrophobicContact CD2-CB 4.35Å; L556-I567 HydrophobicContact CD2-CG1 4.13Å; L556-I567 HydrophobicContact CD2-CG2 4.41Å; L559-I567 HydrophobicContact CB-CD1 3.93Å; L559-I567 HydrophobicContact CB-CG1 4.04Å; H563-I567 WeakPolarHBondContact O-CG1 3.44Å; H563-I567 PolarHBondContact O-N 3.32Å; F564-I567 WeakPolarHBondContact O-CB 3.41Å; F564-I567 PolarHBondContact O-N 2.84Å; I567-E569 PolarHBondContact O-N 3.42Å; I567-A571 WeakPolarHBondContact O-CA 3.43Å; I567-A571 WeakPolarHBondContact O-CB 3.49Å; I567-A571 PolarHBondContact O-N 3.43Å; I567-I585 HydrophobicContact CG2-CG2 4.2Å; I567-F586 HydrophobicContact CG2-CE1 3.98Å; I567-F586 HydrophobicContact CG2-CZ 4.29Å; I567-L596 HydrophobicContact CD1-CD2 4.04Å
568C83.4Confident80.7Confident15 Ų1555 Ų5510%0.10128%0.283CS..Hα-helixtrans-61.1-43.9176.8-75.90000112.7F564 D565 L566 A571 K572 F604F564-C568 WeakPolarHBondContact CE1-SG 3.35Å; F564-C568 WeakPolarHBondContact CZ-SG 3.37Å; F564-C568 PolarHBondContact O-N 3.17Å; F564-C568 PolarHBondContact O-SG 2.73Å; D565-C568 PolarHBondContact O-N 3.26Å; L566-C568 VanDerWaalsContact C-N 3.29Å; L566-C568 PolarHBondContact O-N 3.2Å; C568-A571 PolarHBondContact O-N 3.04Å; C568-K572 WeakPolarHBondContact O-CG 3.47Å; C568-K572 PolarHBondContact O-N 3.27Å; C568-F604 HydrophobicContact CB-CD2 3.78Å; C568-F604 HydrophobicContact CB-CE2 3.59Å; C568-F604 HydrophobicContact CB-CZ 4.33Å; C568-F604 WeakPolarHBondContact O-CE2 3.46Å; C568-F604 VanDerWaalsContact O-CZ 3.31Å; C568-F604 WeakPolarHBondContact O-CZ 3.49Å; C568-F604 WeakPolarHBondContact SG-CD2 3.4Å
569E85.5Confident80.7Confident109 Ų10953.7 Ų53.751%0.50928%0.279SS..Hα-helixtrans-61.4-49.9179.6-173.8176.6174.100112D565 L566 I567 K572 W573D565-E569 PolarHBondContact O-N 2.94Å; L566-E569 PolarHBondContact O-N 3.21Å; I567-E569 PolarHBondContact O-N 3.42Å; E569-K572 WeakPolarHBondContact O-CB 3.44Å; E569-K572 PolarHBondContact O-N 3.3Å; E569-W573 PolarHBondContact O-N 3.35Å
570Y83.8Confident80.7Confident8 Ų861.4 Ų61.43%0.03132%0.315CS..Hα-helixtrans-76.9-24.6-179.9-70.6-83.1000112.7D529 L532 Q533 L566 K572 W573 I574D529-Y570 PolarHBondContact O-OH 3.08Å; D529-Y570 VanDerWaalsContact O-OH 3.12Å; D529-Y570 PolarHBondContact OD1-OH 2.78Å; L532-Y570 HydrophobicContact CB-CD1 3.67Å; L532-Y570 HydrophobicContact CB-CD2 3.83Å; L532-Y570 HydrophobicContact CB-CE1 3.43Å; L532-Y570 VanDerWaalsContact CB-CE1 3.43Å; L532-Y570 HydrophobicContact CB-CE2 3.63Å; L532-Y570 HydrophobicContact CB-CG 3.86Å; L532-Y570 VanDerWaalsContact CB-CZ 3.42Å; L532-Y570 HydrophobicContact CD1-CD1 4.38Å; L532-Y570 HydrophobicContact CD1-CD2 3.31Å; L532-Y570 HydrophobicContact CD1-CE2 3.71Å; L532-Y570 HydrophobicContact CD1-CG 3.7Å; L532-Y570 HydrophobicContact CG-CD2 4.19Å; L532-Y570 HydrophobicContact CG-CE2 4.33Å; L532-Y570 HydrophobicContact CG-CG 4.28Å; Q533-Y570 PolarHBondContact N-OH 3.4Å; L566-Y570 HydrophobicContact CD1-CE2 4.08Å; L566-Y570 HydrophobicContact CD2-CE2 4.47Å; L566-Y570 HydrophobicContact CG-CD2 3.97Å; L566-Y570 HydrophobicContact CG-CE2 3.89Å; L566-Y570 VanDerWaalsContact O-CD2 3.31Å; L566-Y570 WeakPolarHBondContact O-CD2 3.21Å; L566-Y570 PolarHBondContact O-N 3.41Å; Y570-K572 VanDerWaalsContact C-N 3.32Å; Y570-W573 HydrophobicContact CD1-CE3 4.01Å; Y570-W573 WeakPolarHBondContact O-CB 3.49Å; Y570-W573 PolarHBondContact O-N 3.18Å; Y570-I574 WeakPolarHBondContact O-CG1 3.37Å; Y570-I574 PolarHBondContact O-N 3.45Å
571A84.9Confident80.9Confident0 Ų061 Ų610%031%0.308CS..Hα-helixtrans-65.4-34.7168.800000111.7I567 C568 W573 I574 L575 L582 I585 F586 F604I567-A571 WeakPolarHBondContact O-CA 3.43Å; I567-A571 WeakPolarHBondContact O-CB 3.49Å; I567-A571 PolarHBondContact O-N 3.43Å; C568-A571 PolarHBondContact O-N 3.04Å; A571-W573 VanDerWaalsContact C-N 3.29Å; A571-W573 PolarHBondContact O-N 2.83Å; A571-I574 PolarHBondContact O-N 2.81Å; A571-L575 WeakPolarHBondContact O-CB 3.19Å; A571-L575 PolarHBondContact O-N 3.26Å; A571-L582 HydrophobicContact CB-CD1 3.97Å; A571-I585 HydrophobicContact CB-CD1 4.27Å; A571-F586 HydrophobicContact CB-CE2 4.48Å; A571-F586 HydrophobicContact CB-CZ 4.25Å; A571-F604 HydrophobicContact CB-CE1 3.85Å; A571-F604 HydrophobicContact CB-CZ 3.77Å
572K84.8Confident81.4Confident81 Ų8159 Ų5935%0.35229%0.291SS..Hα-helixtrans-63-37.5171.5-68.4177.4-161.9-151.40111.7C568 E569 Y570 L575 Q576 F604 H608C568-K572 WeakPolarHBondContact O-CG 3.47Å; C568-K572 PolarHBondContact O-N 3.27Å; E569-K572 WeakPolarHBondContact O-CB 3.44Å; E569-K572 PolarHBondContact O-N 3.3Å; Y570-K572 VanDerWaalsContact C-N 3.32Å; K572-L575 WeakPolarHBondContact O-CB 3.37Å; K572-Q576 WeakPolarHBondContact O-CG 3.27Å; K572-Q576 PolarHBondContact O-N 3.43Å; K572-F604 HydrophobicContact CD-CE2 4.37Å; K572-F604 HydrophobicContact CG-CE2 3.77Å; K572-F604 HydrophobicContact CG-CZ 3.78Å; K572-H608 WeakPolarHBondContact CD-NE2 3.4Å; K572-H608 VanDerWaalsContact CE-CE1 3.47Å; K572-H608 WeakPolarHBondContact CE-CE1 3.48Å; K572-H608 WeakPolarHBondContact CE-NE2 3.5Å; K572-H608 PolarHBondContact NZ-CE1 3.46Å; K572-H608 PolarHBondContact NZ-NE2 3.35Å
573W83.9Confident81.6Confident12 Ų1253.4 Ų53.45%0.04526%0.261CS..Hα-helixtrans-66.8-49.1175.1164.757.7000111.5R536 A539 F549 A552 E569 Y570 A571 L575 Q576 E577R536-W573 HydrophobicContact CB-CH2 4.12Å; R536-W573 HydrophobicContact CB-CZ2 4.04Å; R536-W573 HydrophobicContact CB-CZ3 4.41Å; R536-W573 HydrophobicContact CG-CD2 4.22Å; R536-W573 HydrophobicContact CG-CZ2 4.05Å; A539-W573 HydrophobicContact CB-CH2 4.21Å; A539-W573 HydrophobicContact CB-CZ2 3.65Å; F549-W573 HydrophobicContact CE1-CH2 4.36Å; F549-W573 AromaticContact CE1-CZ2 3.97Å; F549-W573 HydrophobicContact CE1-CZ2 3.97Å; A552-W573 HydrophobicContact CB-CZ3 4.22Å; E569-W573 PolarHBondContact O-N 3.35Å; Y570-W573 HydrophobicContact CD1-CE3 4.01Å; Y570-W573 WeakPolarHBondContact O-CB 3.49Å; Y570-W573 PolarHBondContact O-N 3.18Å; A571-W573 VanDerWaalsContact C-N 3.29Å; A571-W573 PolarHBondContact O-N 2.83Å; W573-L575 PolarHBondContact O-N 2.95Å; W573-Q576 PolarHBondContact O-N 2.84Å; W573-Q576 VanDerWaalsContact O-N 3.15Å; W573-E577 PolarHBondContact O-N 3.32Å
574I83.3Confident81.8Confident0 Ų055 Ų550%027%0.267CS..Hα-helixtrans-60.5-35.9176.6-65.1167.7000111A552 V553 L556 Y570 A571 Q576 E577 K578 L581 I585A552-I574 HydrophobicContact CB-CD1 4.27Å; V553-I574 HydrophobicContact CG2-CD1 4.2Å; L556-I574 HydrophobicContact CD1-CD1 3.48Å; L556-I574 VanDerWaalsContact CD1-CD1 3.48Å; Y570-I574 WeakPolarHBondContact O-CG1 3.37Å; Y570-I574 PolarHBondContact O-N 3.45Å; A571-I574 PolarHBondContact O-N 2.81Å; I574-Q576 VanDerWaalsContact C-N 3.33Å; I574-Q576 PolarHBondContact O-N 3.17Å; I574-E577 PolarHBondContact O-N 2.92Å; I574-K578 CarbonylContact O-C 3.5Å; I574-K578 WeakPolarHBondContact O-CA 3.22Å; I574-K578 PolarHBondContact O-N 3.01Å; I574-L581 HydrophobicContact CG2-CB 4Å; I574-I585 HydrophobicContact CB-CD1 4.31Å; I574-I585 HydrophobicContact CD1-CD1 3.67Å; I574-I585 HydrophobicContact CG2-CD1 4.18Å
575L82.3Confident81.9Confident24 Ų2454.2 Ų54.213%0.12626%0.263CS..Hα-helixtrans-61.4-38.3177.6-178.465000113.3A571 K572 W573 E577 P579 L582 H608 C609A571-L575 WeakPolarHBondContact O-CB 3.19Å; A571-L575 PolarHBondContact O-N 3.26Å; K572-L575 WeakPolarHBondContact O-CB 3.37Å; W573-L575 PolarHBondContact O-N 2.95Å; L575-E577 VanDerWaalsContact C-N 3.34Å; L575-P579 HydrophobicContact CD1-CB 4.23Å; L575-L582 HydrophobicContact CB-CD1 4.27Å; L575-L582 HydrophobicContact CD1-CB 4.35Å; L575-L582 HydrophobicContact CD1-CD1 4.43Å; L575-L582 HydrophobicContact CD1-CD2 3.82Å; L575-L582 HydrophobicContact CD1-CG 4.42Å; L575-H608 HydrophobicContact CD2-CB 3.65Å; L575-C609 HydrophobicContact CD1-CB 4.18Å; L575-C609 WeakPolarHBondContact CD1-SG 3.45Å; L575-C609 HydrophobicContact CD2-CB 4.49Å
576Q82.6Confident81.8Confident152 Ų15248 Ų4871%0.7123%0.23SC*.Hα-helixtrans-68.7-34.9-178.9-73.3171.9-3.700112K572 W573 I574K572-Q576 WeakPolarHBondContact O-CG 3.27Å; K572-Q576 PolarHBondContact O-N 3.43Å; W573-Q576 PolarHBondContact O-N 2.84Å; W573-Q576 VanDerWaalsContact O-N 3.15Å; I574-Q576 VanDerWaalsContact C-N 3.33Å; I574-Q576 PolarHBondContact O-N 3.17Å
577E79Confident81.7Confident119 Ų11947.6 Ų47.656%0.55623%0.229SC*.Hα-helixtrans-91.6-46.2-177.6-65.1-60.9139.300112.6F549 W573 I574 L575F549-E577 HydrophobicContact CE1-CB 3.82Å; F549-E577 HydrophobicContact CE1-CG 4.19Å; F549-E577 HydrophobicContact CZ-CB 3.86Å; F549-E577 HydrophobicContact CZ-CG 4.11Å; W573-E577 PolarHBondContact O-N 3.32Å; I574-E577 PolarHBondContact O-N 2.92Å; L575-E577 VanDerWaalsContact C-N 3.34Å
578K79.9Confident81.4Confident58 Ų5851.5 Ų51.525%0.25225%0.247SC..  trans-140.889.3-174.5-71.4-172.1179.3171.30112.3C546 F549 I574 E580 L581C546-K578 PolarHBondContact SG-NZ 3.19Å; F549-K578 HydrophobicContact CD2-CD 4.24Å; F549-K578 HydrophobicContact CG-CD 4.27Å; I574-K578 CarbonylContact O-C 3.5Å; I574-K578 WeakPolarHBondContact O-CA 3.22Å; I574-K578 PolarHBondContact O-N 3.01Å; K578-E580 PolarHBondContact O-N 3.43Å; K578-L581 HydrophobicContact CB-CB 4.47Å; K578-L581 HydrophobicContact CB-CD1 3.95Å; K578-L581 HydrophobicContact CB-CG 4.12Å; K578-L581 HydrophobicContact CD-CD1 3.7Å; K578-L581 HydrophobicContact CD-CG 4.44Å; K578-L581 HydrophobicContact CG-CD1 4.48Å; K578-L581 PolarHBondContact O-N 3.47Å
579P78.3Confident80.9Confident71 Ų7155.8 Ų55.846%0.46127%0.269SS..Hα-helixtrans-63.8-27.6-177.524.5-33.8000113.6L575 L581 L582L575-P579 HydrophobicContact CD1-CB 4.23Å; P579-L581 VanDerWaalsContact C-N 3.26Å; P579-L581 PolarHBondContact O-N 3.29Å; P579-L582 WeakPolarHBondContact O-CB 3.4Å; P579-L582 PolarHBondContact O-N 2.98Å
580E78.6Confident80.2Confident168 Ų16852.4 Ų52.479%0.78526%0.257SS*.Hα-helixtrans-65.2-28179.7-59.1-178.4-174.500113.3K578 L582K578-E580 PolarHBondContact O-N 3.43Å; E580-L582 VanDerWaalsContact C-N 3.35Å
581L79.6Confident79.7Confident16 Ų1659.7 Ų59.78%0.08429%0.292CS..Hα-helixtrans-81.1-17.4-178.7-64.9-179000112.6F549 V553 I574 K578 P579 L583 K584 I585F549-L581 HydrophobicContact CB-CD1 3.69Å; V553-L581 HydrophobicContact CG2-CB 4.14Å; V553-L581 HydrophobicContact CG2-CD1 4.44Å; I574-L581 HydrophobicContact CG2-CB 4Å; K578-L581 HydrophobicContact CB-CB 4.47Å; K578-L581 HydrophobicContact CB-CD1 3.95Å; K578-L581 HydrophobicContact CB-CG 4.12Å; K578-L581 HydrophobicContact CD-CD1 3.7Å; K578-L581 HydrophobicContact CD-CG 4.44Å; K578-L581 HydrophobicContact CG-CD1 4.48Å; K578-L581 PolarHBondContact O-N 3.47Å; P579-L581 VanDerWaalsContact C-N 3.26Å; P579-L581 PolarHBondContact O-N 3.29Å; L581-L583 VanDerWaalsContact C-N 3.34Å; L581-L583 PolarHBondContact O-N 3.29Å; L581-K584 HydrophobicContact CD2-CD 4.01Å; L581-K584 WeakPolarHBondContact O-CB 3.33Å; L581-K584 PolarHBondContact O-N 2.89Å; L581-K584 VanDerWaalsContact O-N 3.17Å; L581-I585 PolarHBondContact O-N 2.89Å
582L82.5Confident79.1Confident1 Ų161.1 Ų61.11%0.00530%0.301CS..Hα-helixtrans-59.5-45.5-178.6-172.480.3000111.9A571 L575 P579 E580 K584 I585 F586 F604 C609A571-L582 HydrophobicContact CB-CD1 3.97Å; L575-L582 HydrophobicContact CB-CD1 4.27Å; L575-L582 HydrophobicContact CD1-CB 4.35Å; L575-L582 HydrophobicContact CD1-CD1 4.43Å; L575-L582 HydrophobicContact CD1-CD2 3.82Å; L575-L582 HydrophobicContact CD1-CG 4.42Å; P579-L582 WeakPolarHBondContact O-CB 3.4Å; P579-L582 PolarHBondContact O-N 2.98Å; E580-L582 VanDerWaalsContact C-N 3.35Å; L582-K584 VanDerWaalsContact C-N 3.29Å; L582-K584 PolarHBondContact O-N 3.26Å; L582-I585 HydrophobicContact CD1-CD1 4.44Å; L582-I585 WeakPolarHBondContact O-CB 3.42Å; L582-I585 PolarHBondContact O-N 3.47Å; L582-F586 HydrophobicContact CD1-CE2 4.16Å; L582-F586 HydrophobicContact CG-CE2 4.31Å; L582-F586 WeakPolarHBondContact O-CD2 3.1Å; L582-F604 HydrophobicContact CD1-CE1 4.3Å; L582-C609 HydrophobicContact CD2-CB 4.29Å
583L79.2Confident78.5Confident36 Ų3657.5 Ų57.519%0.18829%0.285CS..Hα-helixtrans-60.2-43.6179-81.5164.5000110.2L581 I585 F586 T587 N612 P615L581-L583 VanDerWaalsContact C-N 3.34Å; L581-L583 PolarHBondContact O-N 3.29Å; L583-I585 VanDerWaalsContact C-N 3.25Å; L583-I585 PolarHBondContact O-N 2.96Å; L583-F586 CarbonylContact O-C 3.54Å; L583-F586 PolarHBondContact O-N 3.12Å; L583-T587 HydrophobicContact CD2-CG2 4.34Å; L583-T587 WeakPolarHBondContact O-CB 3.44Å; L583-T587 WeakPolarHBondContact O-CG2 3.5Å; L583-T587 PolarHBondContact O-N 3.08Å; L583-T587 PolarHBondContact O-OG1 3.27Å; L583-N612 HydrophobicContact CD1-CB 4.29Å; L583-N612 WeakPolarHBondContact CD1-OD1 3.42Å; L583-N612 HydrophobicContact CD2-CB 4.11Å; L583-N612 HydrophobicContact CG-CB 4.13Å; L583-P615 HydrophobicContact CD1-CB 3.96Å; L583-P615 HydrophobicContact CD1-CG 4.45Å; L583-P615 HydrophobicContact CD2-CB 4.17Å
584K81.4Confident78Confident107 Ų10761.3 Ų61.347%0.46530%0.302SS..Hα-helixtrans-58-35.5178.5-64.4-173.6-179177.70113V553 Q557 L581 L582 F586 E588V553-K584 HydrophobicContact CG1-CB 4.33Å; Q557-K584 PolarHBondContact NE2-O 3.4Å; L581-K584 HydrophobicContact CD2-CD 4.01Å; L581-K584 WeakPolarHBondContact O-CB 3.33Å; L581-K584 PolarHBondContact O-N 2.89Å; L581-K584 VanDerWaalsContact O-N 3.17Å; L582-K584 VanDerWaalsContact C-N 3.29Å; L582-K584 PolarHBondContact O-N 3.26Å; K584-F586 PolarHBondContact O-N 3.31Å; K584-E588 PolarHBondContact O-N 2.91Å
585I79.8Confident77.7Confident2 Ų268 Ų681%0.0133%0.334CS..Hα-helixtrans-57.2-39.3176.6-60.7168.4000110.9V553 L556 I567 A571 I574 L581 L582 L583V553-I585 HydrophobicContact CB-CG1 4.32Å; V553-I585 HydrophobicContact CG1-CG1 3.96Å; V553-I585 HydrophobicContact CG2-CD1 4.35Å; V553-I585 HydrophobicContact CG2-CG1 3.87Å; L556-I585 HydrophobicContact CB-CG2 4.1Å; L556-I585 HydrophobicContact CD1-CD1 4.14Å; I567-I585 HydrophobicContact CG2-CG2 4.2Å; A571-I585 HydrophobicContact CB-CD1 4.27Å; I574-I585 HydrophobicContact CB-CD1 4.31Å; I574-I585 HydrophobicContact CD1-CD1 3.67Å; I574-I585 HydrophobicContact CG2-CD1 4.18Å; L581-I585 PolarHBondContact O-N 2.89Å; L582-I585 HydrophobicContact CD1-CD1 4.44Å; L582-I585 WeakPolarHBondContact O-CB 3.42Å; L582-I585 PolarHBondContact O-N 3.47Å; L583-I585 VanDerWaalsContact C-N 3.25Å; L583-I585 PolarHBondContact O-N 2.96Å
586F81.7Confident77.5Confident1 Ų167.3 Ų67.30%0.00433%0.33CS..Hα-helixtrans-104.3-10.7-173.6-59.6-64.7000114.9I567 A571 L582 L583 K584 V593 L596 V601 F604 I605 Y616 W624I567-F586 HydrophobicContact CG2-CE1 3.98Å; I567-F586 HydrophobicContact CG2-CZ 4.29Å; A571-F586 HydrophobicContact CB-CE2 4.48Å; A571-F586 HydrophobicContact CB-CZ 4.25Å; L582-F586 HydrophobicContact CD1-CE2 4.16Å; L582-F586 HydrophobicContact CG-CE2 4.31Å; L582-F586 WeakPolarHBondContact O-CD2 3.1Å; L583-F586 CarbonylContact O-C 3.54Å; L583-F586 PolarHBondContact O-N 3.12Å; K584-F586 PolarHBondContact O-N 3.31Å; F586-V593 VanDerWaalsContact O-CG1 3.28Å; F586-V593 WeakPolarHBondContact O-CG1 3.45Å; F586-L596 HydrophobicContact CD1-CD1 4.12Å; F586-L596 HydrophobicContact CE1-CD1 4.44Å; F586-V601 HydrophobicContact CB-CG1 3.89Å; F586-V601 HydrophobicContact CD1-CB 4.39Å; F586-V601 HydrophobicContact CD1-CG1 3.57Å; F586-V601 HydrophobicContact CD1-CG2 3.85Å; F586-V601 HydrophobicContact CD2-CG1 4Å; F586-V601 HydrophobicContact CE1-CG1 4.05Å; F586-V601 HydrophobicContact CE1-CG2 4.06Å; F586-V601 HydrophobicContact CE2-CG1 4.43Å; F586-V601 HydrophobicContact CG-CG1 3.54Å; F586-V601 HydrophobicContact CZ-CG1 4.45Å; F586-F604 HydrophobicContact CE2-CD1 4.11Å; F586-F604 HydrophobicContact CE2-CE1 4.11Å; F586-F604 HydrophobicContact CZ-CD1 4.08Å; F586-F604 HydrophobicContact CZ-CE1 4.15Å; F586-I605 HydrophobicContact CD2-CD1 4.25Å; F586-Y616 HydrophobicContact CB-CD2 4.3Å; F586-Y616 HydrophobicContact CB-CE2 3.94Å; F586-W624 VanDerWaalsContact O-CH2 3.25Å; F586-W624 WeakPolarHBondContact O-CH2 3.32Å
587T77.9Confident77.4Confident20 Ų2063.9 Ų63.912%0.12332%0.316CS..Hα-helixtrans-109.74.4-176.964.80000113.6L583 Y616 Y619L583-T587 HydrophobicContact CD2-CG2 4.34Å; L583-T587 WeakPolarHBondContact O-CB 3.44Å; L583-T587 WeakPolarHBondContact O-CG2 3.5Å; L583-T587 PolarHBondContact O-N 3.08Å; L583-T587 PolarHBondContact O-OG1 3.27Å; T587-Y616 HydrophobicContact CG2-CD2 4.2Å; T587-Y619 HydrophobicContact CG2-CD1 3.89Å; T587-Y619 HydrophobicContact CG2-CD2 4.14Å; T587-Y619 HydrophobicContact CG2-CE1 4.43Å; T587-Y619 HydrophobicContact CG2-CG 3.76Å; T587-Y619 WeakPolarHBondContact O-CE1 3.42Å; T587-Y619 PolarHBondContact O-OH 3.18Å
588E77.1Confident77.6Confident81 Ų8160.1 Ų60.138%0.37930%0.298SS..SBendtrans-72.3149.4178.9-15964.8-148.800112Q557 K584 C590Q557-E588 HydrophobicContact CG-CB 4.14Å; Q557-E588 VanDerWaalsContact NE2-CB 3.26Å; K584-E588 PolarHBondContact O-N 2.91Å; E588-C590 PolarHBondContact O-N 3.16Å
589D72.3Confident77.7Confident105 Ų10560.3 Ų60.356%0.56130%0.299SS*.SBendtrans-82.743.2-173-134.50.8000112.8K594D589-K594 WeakPolarHBondContact OD1-CE 3.25Å; D589-K594 IonicContact OD1-NZ 3.21Å; D589-K594 PolarHBondContact OD1-NZ 3.03Å
590C70.5Confident77.8Confident39 Ų3961.5 Ų61.526%0.26430%0.297SS..  trans-104.4142.7-177-61.90000111.7E588 P592 V593 K594E588-C590 PolarHBondContact O-N 3.16Å; C590-P592 HydrophobicContact CB-CG 4.21Å; C590-V593 HydrophobicContact CB-CG2 4.16Å; C590-V593 PolarHBondContact O-N 3.22Å; C590-K594 WeakPolarHBondContact O-CG 3.48Å; C590-K594 PolarHBondContact O-N 2.82Å
591E74.6Confident78.1Confident161 Ų16153.5 Ų53.575%0.75226%0.26SS*.Hα-helixtrans-50.4-50.8175.6-69.7-177.5170.900114.1V593 K594 E595E591-V593 VanDerWaalsContact C-N 3.28Å; E591-V593 PolarHBondContact O-N 2.96Å; E591-K594 WeakPolarHBondContact O-CB 3.21Å; E591-K594 PolarHBondContact O-N 3.22Å; E591-K594 VanDerWaalsContact O-N 3.1Å; E591-E595 PolarHBondContact O-N 3.25Å
592P71.1Confident78.1Confident30 Ų3053 Ų5320%0.19526%0.257CS..Hα-helixtrans-58.8-37.9179.518.8-32.9000113.2Q557 C590 E595 L596Q557-P592 WeakPolarHBondContact O-CB 3.37Å; Q557-P592 WeakPolarHBondContact O-CG 3.39Å; C590-P592 HydrophobicContact CB-CG 4.21Å; P592-E595 PolarHBondContact O-N 3.46Å; P592-L596 WeakPolarHBondContact O-CG 3.36Å; P592-L596 PolarHBondContact O-N 3.19Å
593V73.7Confident78.3Confident4 Ų459.2 Ų59.22%0.02429%0.286CS..Hα-helixtrans-68-38.7177.6-178.60000111Q557 F586 C590 E591 E595 L596 W624Q557-V593 HydrophobicContact CB-CG2 3.95Å; Q557-V593 HydrophobicContact CG-CG2 4.12Å; F586-V593 VanDerWaalsContact O-CG1 3.28Å; F586-V593 WeakPolarHBondContact O-CG1 3.45Å; C590-V593 HydrophobicContact CB-CG2 4.16Å; C590-V593 PolarHBondContact O-N 3.22Å; E591-V593 VanDerWaalsContact C-N 3.28Å; E591-V593 PolarHBondContact O-N 2.96Å; V593-E595 VanDerWaalsContact C-N 3.31Å; V593-E595 PolarHBondContact O-N 3.14Å; V593-L596 HydrophobicContact CG1-CD1 4.44Å; V593-L596 WeakPolarHBondContact O-CB 3.17Å; V593-L596 PolarHBondContact O-N 3.41Å; V593-W624 HydrophobicContact CG1-CH2 4.03Å; V593-W624 HydrophobicContact CG1-CZ2 4.14Å
594K72.5Confident78.4Confident92 Ų9258 Ų5840%0.428%0.28SS..Hα-helixtrans-67.4-30.8175.9-70176.9-177177.90112.8D589 C590 E591 L596 W624D589-K594 WeakPolarHBondContact OD1-CE 3.25Å; D589-K594 IonicContact OD1-NZ 3.21Å; D589-K594 PolarHBondContact OD1-NZ 3.03Å; C590-K594 WeakPolarHBondContact O-CG 3.48Å; C590-K594 PolarHBondContact O-N 2.82Å; E591-K594 WeakPolarHBondContact O-CB 3.21Å; E591-K594 PolarHBondContact O-N 3.22Å; E591-K594 VanDerWaalsContact O-N 3.1Å; K594-L596 VanDerWaalsContact C-N 3.32Å; K594-W624 HydrophobicContact CG-CZ2 4.23Å
595E77Confident78.6Confident141 Ų14153 Ų5366%0.65926%0.258SS*.Hα-helixtrans-77.6-14.6175.4-70.9-173.1169.900113.6E591 P592 V593E591-E595 PolarHBondContact O-N 3.25Å; P592-E595 PolarHBondContact O-N 3.46Å; V593-E595 VanDerWaalsContact C-N 3.31Å; V593-E595 PolarHBondContact O-N 3.14Å
596L77.6Confident78.8Confident9 Ų957.7 Ų57.75%0.04728%0.279CS..SBendtrans-59.1143.6175.2-63-179.2000110.5A561 F564 I567 F586 P592 V593 K594 K598 V601A561-L596 HydrophobicContact CB-CD2 4.28Å; F564-L596 HydrophobicContact CD2-CD2 4.27Å; I567-L596 HydrophobicContact CD1-CD2 4.04Å; F586-L596 HydrophobicContact CD1-CD1 4.12Å; F586-L596 HydrophobicContact CE1-CD1 4.44Å; P592-L596 WeakPolarHBondContact O-CG 3.36Å; P592-L596 PolarHBondContact O-N 3.19Å; V593-L596 HydrophobicContact CG1-CD1 4.44Å; V593-L596 WeakPolarHBondContact O-CB 3.17Å; V593-L596 PolarHBondContact O-N 3.41Å; K594-L596 VanDerWaalsContact C-N 3.32Å; L596-K598 PolarHBondContact O-N 2.98Å; L596-V601 HydrophobicContact CB-CG2 4.28Å
597N81.8Confident79Confident80 Ų8064.7 Ų64.743%0.42831%0.312SS..  trans-69.598.8174.9-173.4-28.8000109.7F599 K600 V601N597-F599 PolarHBondContact O-N 2.79Å; N597-F599 VanDerWaalsContact O-N 3.1Å; N597-F599 WeakPolarHBondContact OD1-CB 3.29Å; N597-F599 PolarHBondContact OD1-N 2.97Å; N597-F599 VanDerWaalsContact OD1-N 3.1Å; N597-K600 HydrophobicContact CB-CB 4.32Å; N597-K600 HydrophobicContact CB-CD 4.26Å; N597-K600 HydrophobicContact CB-CG 4.13Å; N597-K600 PolarHBondContact O-N 3.45Å; N597-V601 PolarHBondContact O-N 2.98Å; N597-V601 VanDerWaalsContact O-N 3.09Å
598K82.4Confident79.1Confident40 Ų4066.2 Ų66.217%0.17432%0.318CS..Hα-helixtrans-53.6-31-177.8-57.7178.9-171.3178.30113.3L596 L602 V620 W624 D626 F631L596-K598 PolarHBondContact O-N 2.98Å; K598-L602 WeakPolarHBondContact O-CB 3.41Å; K598-L602 PolarHBondContact O-N 2.72Å; K598-V620 HydrophobicContact CD-CG1 4.23Å; K598-W624 HydrophobicContact CD-CE3 4.05Å; K598-W624 HydrophobicContact CD-CZ3 4.07Å; K598-W624 HydrophobicContact CG-CZ3 4.18Å; K598-D626 WeakPolarHBondContact CD-OD2 3.43Å; K598-D626 WeakPolarHBondContact CE-OD2 3.08Å; K598-D626 IonicContact NZ-OD2 2.65Å; K598-D626 PolarHBondContact NZ-OD2 3.32Å; K598-F631 HydrophobicContact CB-CE1 4.37Å; K598-F631 HydrophobicContact CB-CE2 3.92Å; K598-F631 HydrophobicContact CB-CZ 3.5Å; K598-F631 VanDerWaalsContact CB-CZ 3.5Å; K598-F631 HydrophobicContact CD-CE2 4.29Å
599F82Confident79.2Confident62 Ų6263.7 Ų63.727%0.27231%0.309SS..Hα-helixtrans-68.5-42.8174.9-73.2-76.2000112.6N597 V601 L602 E603 N628 R630 F631N597-F599 PolarHBondContact O-N 2.79Å; N597-F599 VanDerWaalsContact O-N 3.1Å; N597-F599 WeakPolarHBondContact OD1-CB 3.29Å; N597-F599 PolarHBondContact OD1-N 2.97Å; N597-F599 VanDerWaalsContact OD1-N 3.1Å; F599-V601 VanDerWaalsContact C-N 3.31Å; F599-L602 WeakPolarHBondContact O-CB 3.4Å; F599-L602 PolarHBondContact O-N 2.71Å; F599-E603 WeakPolarHBondContact O-CG 3.42Å; F599-E603 PolarHBondContact O-N 3.41Å; F599-N628 VanDerWaalsContact CE2-ND2 3.29Å; F599-N628 WeakPolarHBondContact CE2-ND2 3.35Å; F599-N628 WeakPolarHBondContact CZ-ND2 3.29Å; F599-R630 HydrophobicContact CE1-CB 3.76Å; F599-R630 HydrophobicContact CE1-CG 4.39Å; F599-R630 HydrophobicContact CZ-CB 4.13Å; F599-F631 AromaticContact CD1-CE1 3.71Å; F599-F631 HydrophobicContact CD1-CE1 3.71Å; F599-F631 AromaticContact CD1-CZ 3.83Å; F599-F631 HydrophobicContact CD1-CZ 3.83Å; F599-F631 AromaticContact CD2-CZ 3.87Å; F599-F631 HydrophobicContact CD2-CZ 3.87Å; F599-F631 HydrophobicContact CE1-CD1 4.33Å; F599-F631 AromaticContact CE1-CE1 3.72Å; F599-F631 HydrophobicContact CE1-CE1 3.72Å; F599-F631 HydrophobicContact CE1-CE2 4.46Å; F599-F631 AromaticContact CE1-CZ 3.76Å; F599-F631 HydrophobicContact CE1-CZ 3.76Å; F599-F631 HydrophobicContact CE2-CE2 4.18Å; F599-F631 AromaticContact CE2-CZ 3.82Å; F599-F631 HydrophobicContact CE2-CZ 3.82Å; F599-F631 HydrophobicContact CG-CE1 4.17Å; F599-F631 AromaticContact CG-CZ 3.89Å; F599-F631 HydrophobicContact CG-CZ 3.89Å; F599-F631 HydrophobicContact CZ-CE1 4.18Å; F599-F631 HydrophobicContact CZ-CE2 4.11Å; F599-F631 AromaticContact CZ-CZ 3.77Å; F599-F631 HydrophobicContact CZ-CZ 3.77Å
600K81.6Confident79.5Confident96 Ų9662.3 Ų62.342%0.41731%0.305SS..Hα-helixtrans-66.8-37.4176.9-67-171.3172.4-171.50111.4F564 N597 L602 E603 F604F564-K600 HydrophobicContact CD1-CB 4.31Å; F564-K600 HydrophobicContact CD1-CD 3.93Å; F564-K600 HydrophobicContact CE1-CB 3.47Å; F564-K600 VanDerWaalsContact CE1-CB 3.47Å; F564-K600 HydrophobicContact CE1-CD 3.86Å; F564-K600 HydrophobicContact CE1-CG 4.32Å; F564-K600 HydrophobicContact CE2-CB 4.17Å; F564-K600 HydrophobicContact CZ-CB 3.39Å; F564-K600 HydrophobicContact CZ-CD 4.47Å; N597-K600 HydrophobicContact CB-CB 4.32Å; N597-K600 HydrophobicContact CB-CD 4.26Å; N597-K600 HydrophobicContact CB-CG 4.13Å; N597-K600 PolarHBondContact O-N 3.45Å; K600-L602 VanDerWaalsContact C-N 3.33Å; K600-E603 PolarHBondContact O-N 3.25Å; K600-F604 WeakPolarHBondContact O-CB 3.35Å; K600-F604 PolarHBondContact O-N 3.38Å
601V83Confident80Confident1 Ų168.6 Ų68.61%0.00633%0.331CS..Hα-helixtrans-61-45.5172.7178.70000110F564 F586 L596 N597 F599 F604 I605 Y616F564-V601 HydrophobicContact CE2-CG2 3.64Å; F564-V601 HydrophobicContact CZ-CG2 4.17Å; F586-V601 HydrophobicContact CB-CG1 3.89Å; F586-V601 HydrophobicContact CD1-CB 4.39Å; F586-V601 HydrophobicContact CD1-CG1 3.57Å; F586-V601 HydrophobicContact CD1-CG2 3.85Å; F586-V601 HydrophobicContact CD2-CG1 4Å; F586-V601 HydrophobicContact CE1-CG1 4.05Å; F586-V601 HydrophobicContact CE1-CG2 4.06Å; F586-V601 HydrophobicContact CE2-CG1 4.43Å; F586-V601 HydrophobicContact CG-CG1 3.54Å; F586-V601 HydrophobicContact CZ-CG1 4.45Å; L596-V601 HydrophobicContact CB-CG2 4.28Å; N597-V601 PolarHBondContact O-N 2.98Å; N597-V601 VanDerWaalsContact O-N 3.09Å; F599-V601 VanDerWaalsContact C-N 3.31Å; V601-F604 WeakPolarHBondContact O-CB 3.13Å; V601-F604 PolarHBondContact O-N 3.35Å; V601-I605 HydrophobicContact CG1-CD1 3.69Å; V601-I605 HydrophobicContact CG1-CG1 4.28Å; V601-I605 VanDerWaalsContact O-CG1 3.29Å; V601-I605 WeakPolarHBondContact O-CG1 3.21Å; V601-I605 PolarHBondContact O-N 2.95Å; V601-Y616 HydrophobicContact CB-CE1 4.41Å; V601-Y616 WeakPolarHBondContact CB-OH 3.12Å; V601-Y616 HydrophobicContact CG1-CD2 4.42Å; V601-Y616 HydrophobicContact CG1-CE1 4.02Å; V601-Y616 HydrophobicContact CG1-CE2 3.69Å; V601-Y616 VanDerWaalsContact CG1-CZ 3.45Å; V601-Y616 WeakPolarHBondContact CG1-OH 3.43Å
602L81.5Confident80.4Confident5 Ų562.3 Ų62.33%0.02630%0.303CS..Hα-helixtrans-60.7-46.1177.1-172.971000112.1K598 F599 K600 F604 I605 Q606 V613 Y616 L617 F631 I634K598-L602 WeakPolarHBondContact O-CB 3.41Å; K598-L602 PolarHBondContact O-N 2.72Å; F599-L602 WeakPolarHBondContact O-CB 3.4Å; F599-L602 PolarHBondContact O-N 2.71Å; K600-L602 VanDerWaalsContact C-N 3.33Å; L602-F604 VanDerWaalsContact C-N 3.32Å; L602-F604 PolarHBondContact O-N 2.91Å; L602-I605 PolarHBondContact O-N 3.02Å; L602-Q606 WeakPolarHBondContact O-CB 3.41Å; L602-Q606 PolarHBondContact O-N 3.05Å; L602-V613 HydrophobicContact CD1-CG1 3.97Å; L602-Y616 HydrophobicContact CB-CE1 4.33Å; L602-Y616 HydrophobicContact CD1-CD1 4Å; L602-Y616 HydrophobicContact CD1-CE1 4.32Å; L602-L617 HydrophobicContact CD1-CD1 4.12Å; L602-L617 HydrophobicContact CD1-CD2 3.64Å; L602-L617 HydrophobicContact CD1-CG 3.8Å; L602-L617 HydrophobicContact CD2-CD2 4.23Å; L602-F631 HydrophobicContact CB-CE1 4.47Å; L602-F631 HydrophobicContact CD2-CD1 4Å; L602-F631 HydrophobicContact CD2-CE1 3.97Å; L602-I634 HydrophobicContact CD2-CD1 3.6Å
603E84.8Confident81.1Confident132 Ų13260.9 Ų60.962%0.61729%0.294SS*.Hα-helixtrans-59.3-43.9175.6-74.4177174.600111.3F599 K600 Q606 E607F599-E603 WeakPolarHBondContact O-CG 3.42Å; F599-E603 PolarHBondContact O-N 3.41Å; K600-E603 PolarHBondContact O-N 3.25Å; E603-Q606 PolarHBondContact O-N 2.64Å; E603-E607 WeakPolarHBondContact O-CB 3.29Å; E603-E607 PolarHBondContact O-N 2.88Å
604F83.1Confident81.6Confident11 Ų1162.1 Ų62.15%0.04830%0.301CS..Hα-helixtrans-62.8-47178176.9-96.1000112.5C568 A571 K572 L582 F586 K600 V601 L602 Q606 E607 H608C568-F604 HydrophobicContact CB-CD2 3.78Å; C568-F604 HydrophobicContact CB-CE2 3.59Å; C568-F604 HydrophobicContact CB-CZ 4.33Å; C568-F604 WeakPolarHBondContact O-CE2 3.46Å; C568-F604 VanDerWaalsContact O-CZ 3.31Å; C568-F604 WeakPolarHBondContact O-CZ 3.49Å; C568-F604 WeakPolarHBondContact SG-CD2 3.4Å; A571-F604 HydrophobicContact CB-CE1 3.85Å; A571-F604 HydrophobicContact CB-CZ 3.77Å; K572-F604 HydrophobicContact CD-CE2 4.37Å; K572-F604 HydrophobicContact CG-CE2 3.77Å; K572-F604 HydrophobicContact CG-CZ 3.78Å; L582-F604 HydrophobicContact CD1-CE1 4.3Å; F586-F604 HydrophobicContact CE2-CD1 4.11Å; F586-F604 HydrophobicContact CE2-CE1 4.11Å; F586-F604 HydrophobicContact CZ-CD1 4.08Å; F586-F604 HydrophobicContact CZ-CE1 4.15Å; K600-F604 WeakPolarHBondContact O-CB 3.35Å; K600-F604 PolarHBondContact O-N 3.38Å; V601-F604 WeakPolarHBondContact O-CB 3.13Å; V601-F604 PolarHBondContact O-N 3.35Å; L602-F604 VanDerWaalsContact C-N 3.32Å; L602-F604 PolarHBondContact O-N 2.91Å; F604-Q606 VanDerWaalsContact C-N 3.33Å; F604-E607 PolarHBondContact O-N 2.85Å; F604-H608 AromaticContact CD2-CE1 3.93Å; F604-H608 AromaticContact CD2-ND1 3.79Å; F604-H608 AromaticContact CE2-CE1 3.92Å; F604-H608 AromaticContact CE2-ND1 3.84Å; F604-H608 PolarHBondContact O-N 3.02Å; F604-H608 VanDerWaalsContact O-N 3.13Å; F604-H608 PolarHBondContact O-ND1 2.83Å
605I84.8Confident82.2Confident1 Ų160.2 Ų60.21%0.00530%0.298CS..Hα-helixtrans-64.9-40.7176.8-64.8171.1000109.8F586 V601 L602 E607 H608 C609 N612 V613 Y616F586-I605 HydrophobicContact CD2-CD1 4.25Å; V601-I605 HydrophobicContact CG1-CD1 3.69Å; V601-I605 HydrophobicContact CG1-CG1 4.28Å; V601-I605 VanDerWaalsContact O-CG1 3.29Å; V601-I605 WeakPolarHBondContact O-CG1 3.21Å; V601-I605 PolarHBondContact O-N 2.95Å; L602-I605 PolarHBondContact O-N 3.02Å; I605-E607 VanDerWaalsContact C-N 3.31Å; I605-E607 PolarHBondContact O-N 3.01Å; I605-H608 PolarHBondContact O-N 3.39Å; I605-C609 WeakPolarHBondContact CG2-O 3.45Å; I605-C609 CarbonylContact O-C 3.57Å; I605-C609 WeakPolarHBondContact O-CA 3.46Å; I605-C609 PolarHBondContact O-N 2.89Å; I605-N612 HydrophobicContact CG2-CB 3.98Å; I605-V613 HydrophobicContact CG2-CG2 3.78Å; I605-Y616 HydrophobicContact CD1-CD1 3.91Å; I605-Y616 HydrophobicContact CD1-CD2 3.83Å; I605-Y616 HydrophobicContact CD1-CE1 4.43Å; I605-Y616 HydrophobicContact CD1-CE2 4.36Å; I605-Y616 HydrophobicContact CD1-CG 3.58Å
606Q84.4Confident82.6Confident100 Ų10053.6 Ų53.647%0.46727%0.267SS..Hα-helixtrans-64.3-34.6179.1-176.8170.3-10.600113L602 E603 F604 V613L602-Q606 WeakPolarHBondContact O-CB 3.41Å; L602-Q606 PolarHBondContact O-N 3.05Å; E603-Q606 PolarHBondContact O-N 2.64Å; F604-Q606 VanDerWaalsContact C-N 3.33Å; Q606-V613 HydrophobicContact CB-CG2 4.24Å
607E85.3Confident83Confident148 Ų14853.2 Ų53.269%0.69227%0.265SS*.Hα-helixtrans-75.2-41.1178.4-173.4-179.2-169.200112.6E603 F604 I605E603-E607 WeakPolarHBondContact O-CB 3.29Å; E603-E607 PolarHBondContact O-N 2.88Å; F604-E607 PolarHBondContact O-N 2.85Å; I605-E607 VanDerWaalsContact C-N 3.31Å; I605-E607 PolarHBondContact O-N 3.01Å
608H80.3Confident83.2Confident53 Ų5351.7 Ų51.725%0.24526%0.255CS..Hα-helixtrans-102.8-32.2-170.3-59.579.4000113.9K572 L575 F604 I605K572-H608 WeakPolarHBondContact CD-NE2 3.4Å; K572-H608 VanDerWaalsContact CE-CE1 3.47Å; K572-H608 WeakPolarHBondContact CE-CE1 3.48Å; K572-H608 WeakPolarHBondContact CE-NE2 3.5Å; K572-H608 PolarHBondContact NZ-CE1 3.46Å; K572-H608 PolarHBondContact NZ-NE2 3.35Å; L575-H608 HydrophobicContact CD2-CB 3.65Å; F604-H608 AromaticContact CD2-CE1 3.93Å; F604-H608 AromaticContact CD2-ND1 3.79Å; F604-H608 AromaticContact CE2-CE1 3.92Å; F604-H608 AromaticContact CE2-ND1 3.84Å; F604-H608 PolarHBondContact O-N 3.02Å; F604-H608 VanDerWaalsContact O-N 3.13Å; F604-H608 PolarHBondContact O-ND1 2.83Å; I605-H608 PolarHBondContact O-N 3.39Å
609C78.1Confident83.3Confident27 Ų2751.6 Ų51.618%0.18225%0.254CS..  trans-147.278.8-176.9-93.30000112.6L575 L582 I605 E611 N612L575-C609 HydrophobicContact CD1-CB 4.18Å; L575-C609 WeakPolarHBondContact CD1-SG 3.45Å; L575-C609 HydrophobicContact CD2-CB 4.49Å; L582-C609 HydrophobicContact CD2-CB 4.29Å; I605-C609 WeakPolarHBondContact CG2-O 3.45Å; I605-C609 CarbonylContact O-C 3.57Å; I605-C609 WeakPolarHBondContact O-CA 3.46Å; I605-C609 PolarHBondContact O-N 2.89Å; C609-E611 PolarHBondContact O-N 3.3Å; C609-E611 VanDerWaalsContact O-N 3.07Å; C609-N612 PolarHBondContact O-N 3.46Å; C609-N612 VanDerWaalsContact O-N 3.11Å
610P80.7Confident83.4Confident76 Ų7648.6 Ų48.649%0.49424%0.241SC..G310 helixtrans-61.7-19.9-177.724.9-34.7000114.1V613P610-V613 WeakPolarHBondContact O-CB 3.48Å; P610-V613 WeakPolarHBondContact O-CG2 3.47Å
611E80.2Confident83.5Confident171 Ų17144.5 Ų44.580%0.79922%0.224SC*.G310 helixtrans-68.9-34177.4-60.1-175.317500112.5C609 V613 P615C609-E611 PolarHBondContact O-N 3.3Å; C609-E611 VanDerWaalsContact O-N 3.07Å; E611-V613 VanDerWaalsContact C-N 3.3Å; E611-V613 PolarHBondContact O-N 2.81Å; E611-P615 WeakPolarHBondContact O-CD 3.45Å
612N82.6Confident83.6Confident29 Ų2948.5 Ų48.516%0.15524%0.239CC..G310 helixtrans-84.9-1.6-178.8-74.9-23000113.4L583 I605 C609 Y616L583-N612 HydrophobicContact CD1-CB 4.29Å; L583-N612 WeakPolarHBondContact CD1-OD1 3.42Å; L583-N612 HydrophobicContact CD2-CB 4.11Å; L583-N612 HydrophobicContact CG-CB 4.13Å; I605-N612 HydrophobicContact CG2-CB 3.98Å; C609-N612 PolarHBondContact O-N 3.46Å; C609-N612 VanDerWaalsContact O-N 3.11Å; N612-Y616 VanDerWaalsContact O-CB 3.27Å; N612-Y616 WeakPolarHBondContact O-CB 3.46Å; N612-Y616 PolarHBondContact O-N 3Å
613V85.6Confident83.6Confident1 Ų154.1 Ų54.11%0.00627%0.265CS..Hα-helixtrans-63.1-45.1177.4175.20000111L602 I605 Q606 P610 E611 Y616 L617L602-V613 HydrophobicContact CD1-CG1 3.97Å; I605-V613 HydrophobicContact CG2-CG2 3.78Å; Q606-V613 HydrophobicContact CB-CG2 4.24Å; P610-V613 WeakPolarHBondContact O-CB 3.48Å; P610-V613 WeakPolarHBondContact O-CG2 3.47Å; E611-V613 VanDerWaalsContact C-N 3.3Å; E611-V613 PolarHBondContact O-N 2.81Å; V613-Y616 PolarHBondContact O-N 3.14Å; V613-L617 HydrophobicContact CG1-CD1 3.79Å; V613-L617 HydrophobicContact CG1-CG 4.37Å; V613-L617 WeakPolarHBondContact O-CB 3.34Å; V613-L617 VanDerWaalsContact O-CG 3.3Å; V613-L617 WeakPolarHBondContact O-CG 3.46Å; V613-L617 PolarHBondContact O-N 2.67Å
614T85.2Confident83.4Confident30 Ų3049.5 Ų49.518%0.18424%0.242CC..Hα-helixtrans-66.9-50-178-51.70000111.7Y616 L617 E618 L635 Y639T614-Y616 VanDerWaalsContact C-N 3.32Å; T614-Y616 PolarHBondContact O-N 2.79Å; T614-L617 PolarHBondContact O-N 3.34Å; T614-E618 WeakPolarHBondContact CG2-OE1 3.49Å; T614-E618 WeakPolarHBondContact O-CB 3.48Å; T614-E618 WeakPolarHBondContact O-CG 3.39Å; T614-E618 PolarHBondContact O-N 3.46Å; T614-L635 HydrophobicContact CG2-CD1 4.2Å; T614-Y639 HydrophobicContact CG2-CD1 4.35Å; T614-Y639 HydrophobicContact CG2-CE1 3.8Å
615P85.4Confident83.3Confident51 Ų5154.7 Ų54.733%0.33127%0.271SS..Hα-helixtrans-58.4-39.4174-24.933.5000113.9L583 E611 E618 Y619L583-P615 HydrophobicContact CD1-CB 3.96Å; L583-P615 HydrophobicContact CD1-CG 4.45Å; L583-P615 HydrophobicContact CD2-CB 4.17Å; E611-P615 WeakPolarHBondContact O-CD 3.45Å; P615-E618 PolarHBondContact O-N 3.29Å; P615-Y619 WeakPolarHBondContact O-CB 3.45Å; P615-Y619 PolarHBondContact O-N 2.73Å
616Y84.7Confident83.1Confident3 Ų356 Ų561%0.01228%0.277CS..Hα-helixtrans-64.5-47.9177.1176.8-106.5000111.6F586 T587 V601 L602 I605 N612 V613 T614 E618 Y619 V620F586-Y616 HydrophobicContact CB-CD2 4.3Å; F586-Y616 HydrophobicContact CB-CE2 3.94Å; T587-Y616 HydrophobicContact CG2-CD2 4.2Å; V601-Y616 HydrophobicContact CB-CE1 4.41Å; V601-Y616 WeakPolarHBondContact CB-OH 3.12Å; V601-Y616 HydrophobicContact CG1-CD2 4.42Å; V601-Y616 HydrophobicContact CG1-CE1 4.02Å; V601-Y616 HydrophobicContact CG1-CE2 3.69Å; V601-Y616 VanDerWaalsContact CG1-CZ 3.45Å; V601-Y616 WeakPolarHBondContact CG1-OH 3.43Å; L602-Y616 HydrophobicContact CB-CE1 4.33Å; L602-Y616 HydrophobicContact CD1-CD1 4Å; L602-Y616 HydrophobicContact CD1-CE1 4.32Å; I605-Y616 HydrophobicContact CD1-CD1 3.91Å; I605-Y616 HydrophobicContact CD1-CD2 3.83Å; I605-Y616 HydrophobicContact CD1-CE1 4.43Å; I605-Y616 HydrophobicContact CD1-CE2 4.36Å; I605-Y616 HydrophobicContact CD1-CG 3.58Å; N612-Y616 VanDerWaalsContact O-CB 3.27Å; N612-Y616 WeakPolarHBondContact O-CB 3.46Å; N612-Y616 PolarHBondContact O-N 3Å; V613-Y616 PolarHBondContact O-N 3.14Å; T614-Y616 VanDerWaalsContact C-N 3.32Å; T614-Y616 PolarHBondContact O-N 2.79Å; Y616-E618 VanDerWaalsContact C-N 3.34Å; Y616-E618 PolarHBondContact O-N 3.39Å; Y616-Y619 WeakPolarHBondContact O-CB 3.36Å; Y616-Y619 PolarHBondContact O-N 3.25Å; Y616-Y619 VanDerWaalsContact O-N 3.17Å; Y616-V620 HydrophobicContact CD1-CG2 4.27Å; Y616-V620 HydrophobicContact CD2-CG2 4.38Å; Y616-V620 HydrophobicContact CE1-CG2 3.84Å; Y616-V620 HydrophobicContact CE2-CG2 3.95Å; Y616-V620 VanDerWaalsContact O-CG2 3.32Å; Y616-V620 WeakPolarHBondContact O-CG2 3.4Å; Y616-V620 PolarHBondContact O-N 3.07Å
617L86Confident83Confident0 Ų057 Ų570%028%0.282CS..Hα-helixtrans-64.5-37.7178.2-73.1174000112.3L602 V613 T614 Y619 V620 V621 F631 I634 L635L602-L617 HydrophobicContact CD1-CD1 4.12Å; L602-L617 HydrophobicContact CD1-CD2 3.64Å; L602-L617 HydrophobicContact CD1-CG 3.8Å; L602-L617 HydrophobicContact CD2-CD2 4.23Å; V613-L617 HydrophobicContact CG1-CD1 3.79Å; V613-L617 HydrophobicContact CG1-CG 4.37Å; V613-L617 WeakPolarHBondContact O-CB 3.34Å; V613-L617 VanDerWaalsContact O-CG 3.3Å; V613-L617 WeakPolarHBondContact O-CG 3.46Å; V613-L617 PolarHBondContact O-N 2.67Å; T614-L617 PolarHBondContact O-N 3.34Å; L617-Y619 VanDerWaalsContact C-N 3.31Å; L617-Y619 PolarHBondContact O-N 3.24Å; L617-V620 PolarHBondContact O-N 2.87Å; L617-V621 VanDerWaalsContact O-CB 3.3Å; L617-V621 WeakPolarHBondContact O-CB 3.24Å; L617-V621 VanDerWaalsContact O-CG2 3.3Å; L617-V621 WeakPolarHBondContact O-CG2 3.28Å; L617-V621 PolarHBondContact O-N 2.77Å; L617-F631 HydrophobicContact CD2-CB 4.01Å; L617-F631 HydrophobicContact CD2-CD1 3.73Å; L617-F631 HydrophobicContact CD2-CG 4.22Å; L617-I634 HydrophobicContact CD1-CB 4.12Å; L617-I634 HydrophobicContact CD1-CG2 3.62Å; L617-L635 HydrophobicContact CB-CB 4.19Å; L617-L635 HydrophobicContact CB-CD1 3.66Å; L617-L635 HydrophobicContact CB-CG 4.35Å; L617-L635 HydrophobicContact CD1-CB 4.21Å; L617-L635 HydrophobicContact CD1-CD1 4.46Å
618E86.6Confident83Confident48 Ų4852.6 Ų52.622%0.22426%0.264CS..Hα-helixtrans-59.4-42.7172.2-79.2173.3-157.200111.9T614 P615 Y616 V621 Y622 L635 Y639 K675T614-E618 WeakPolarHBondContact CG2-OE1 3.49Å; T614-E618 WeakPolarHBondContact O-CB 3.48Å; T614-E618 WeakPolarHBondContact O-CG 3.39Å; T614-E618 PolarHBondContact O-N 3.46Å; P615-E618 PolarHBondContact O-N 3.29Å; Y616-E618 VanDerWaalsContact C-N 3.34Å; Y616-E618 PolarHBondContact O-N 3.39Å; E618-V621 PolarHBondContact O-N 3.23Å; E618-Y622 HydrophobicContact CB-CD2 4.15Å; E618-Y622 HydrophobicContact CB-CE2 4.46Å; E618-Y622 HydrophobicContact CG-CD2 4.34Å; E618-Y622 HydrophobicContact CG-CE2 4.15Å; E618-Y622 WeakPolarHBondContact O-CB 3.49Å; E618-Y622 VanDerWaalsContact O-CD2 3.3Å; E618-Y622 WeakPolarHBondContact O-CD2 3.4Å; E618-Y622 PolarHBondContact O-N 3.45Å; E618-L635 HydrophobicContact CG-CD1 4.07Å; E618-Y639 WeakPolarHBondContact CG-OH 3.25Å; E618-Y639 PolarHBondContact OE1-OH 2.84Å; E618-Y639 VanDerWaalsContact OE1-OH 3.09Å; E618-K675 WeakPolarHBondContact OE1-CE 3.38Å; E618-K675 IonicContact OE1-NZ 2.74Å; E618-K675 PolarHBondContact OE1-NZ 2.75Å; E618-K675 IonicContact OE2-NZ 3.56Å
619Y84.1Confident83.2Confident38 Ų3855.9 Ų55.915%0.14928%0.279CS..Iπ-helixtrans-63.4-47.9176.6-161.8-89.2000111.4T587 P615 Y616 L617 V621 Q623 W624T587-Y619 HydrophobicContact CG2-CD1 3.89Å; T587-Y619 HydrophobicContact CG2-CD2 4.14Å; T587-Y619 HydrophobicContact CG2-CE1 4.43Å; T587-Y619 HydrophobicContact CG2-CG 3.76Å; T587-Y619 WeakPolarHBondContact O-CE1 3.42Å; T587-Y619 PolarHBondContact O-OH 3.18Å; P615-Y619 WeakPolarHBondContact O-CB 3.45Å; P615-Y619 PolarHBondContact O-N 2.73Å; Y616-Y619 WeakPolarHBondContact O-CB 3.36Å; Y616-Y619 PolarHBondContact O-N 3.25Å; Y616-Y619 VanDerWaalsContact O-N 3.17Å; L617-Y619 VanDerWaalsContact C-N 3.31Å; L617-Y619 PolarHBondContact O-N 3.24Å; Y619-V621 VanDerWaalsContact C-N 3.35Å; Y619-V621 PolarHBondContact O-N 3.3Å; Y619-Q623 HydrophobicContact CD1-CB 4.4Å; Y619-Q623 HydrophobicContact CD2-CB 4.42Å; Y619-Q623 HydrophobicContact CD2-CG 4.07Å; Y619-Q623 VanDerWaalsContact CD2-NE2 3.28Å; Y619-Q623 HydrophobicContact CE1-CB 4.32Å; Y619-Q623 HydrophobicContact CE2-CB 4.35Å; Y619-Q623 HydrophobicContact CE2-CG 4.15Å; Y619-Q623 VanDerWaalsContact CE2-NE2 3.31Å; Y619-Q623 HydrophobicContact CG-CB 4.42Å; Y619-Q623 HydrophobicContact CG-CG 4.42Å; Y619-Q623 WeakPolarHBondContact O-CA 3.46Å; Y619-Q623 VanDerWaalsContact O-CB 3.27Å; Y619-Q623 WeakPolarHBondContact O-CB 3.47Å; Y619-Q623 PolarHBondContact O-N 2.88Å; Y619-Q623 PolarHBondContact OH-OE1 2.96Å; Y619-W624 HydrophobicContact CD1-CD2 4.32Å; Y619-W624 HydrophobicContact CD1-CZ2 4.35Å; Y619-W624 AromaticContact CE1-CD1 3.96Å; Y619-W624 HydrophobicContact CE1-CD2 4.36Å; Y619-W624 AromaticContact CE1-CE2 3.68Å; Y619-W624 HydrophobicContact CE1-CZ2 4.04Å; Y619-W624 AromaticContact CE1-NE1 3.42Å; Y619-W624 PolarHBondContact O-N 3.44Å; Y619-W624 VanDerWaalsContact O-N 3.1Å
620V83Confident83.6Confident0 Ų062.5 Ų62.50%030%0.3CS..Iπ-helixtrans-61.6-41.8178.5173.50000111.7K598 Y616 L617 W624 N625 D626 F631K598-V620 HydrophobicContact CD-CG1 4.23Å; Y616-V620 HydrophobicContact CD1-CG2 4.27Å; Y616-V620 HydrophobicContact CD2-CG2 4.38Å; Y616-V620 HydrophobicContact CE1-CG2 3.84Å; Y616-V620 HydrophobicContact CE2-CG2 3.95Å; Y616-V620 VanDerWaalsContact O-CG2 3.32Å; Y616-V620 WeakPolarHBondContact O-CG2 3.4Å; Y616-V620 PolarHBondContact O-N 3.07Å; L617-V620 PolarHBondContact O-N 2.87Å; V620-W624 HydrophobicContact CB-CE3 4.38Å; V620-W624 HydrophobicContact CG1-CE3 4.48Å; V620-W624 HydrophobicContact CG2-CE3 3.82Å; V620-W624 HydrophobicContact CG2-CZ3 3.98Å; V620-W624 CarbonylContact O-C 3.54Å; V620-W624 WeakPolarHBondContact O-CB 3.37Å; V620-N625 PolarHBondContact O-N 3.04Å; V620-D626 HydrophobicContact CG1-CB 3.6Å; V620-D626 PolarHBondContact O-N 3.1Å; V620-D626 VanDerWaalsContact O-N 3.16Å; V620-F631 HydrophobicContact CG1-CD2 3.97Å; V620-F631 HydrophobicContact CG1-CE2 4.4Å; V620-F631 HydrophobicContact CG1-CG 4.34Å
621V83.9Confident83.8Confident9 Ų959 Ų596%0.05528%0.277CS..Iπ-helixtrans-78.7-47.8-176.4167.20000112.3L617 E618 Y619 N625 H632 L635L617-V621 VanDerWaalsContact O-CB 3.3Å; L617-V621 WeakPolarHBondContact O-CB 3.24Å; L617-V621 VanDerWaalsContact O-CG2 3.3Å; L617-V621 WeakPolarHBondContact O-CG2 3.28Å; L617-V621 PolarHBondContact O-N 2.77Å; E618-V621 PolarHBondContact O-N 3.23Å; Y619-V621 VanDerWaalsContact C-N 3.35Å; Y619-V621 PolarHBondContact O-N 3.3Å; V621-N625 WeakPolarHBondContact O-CA 3.31Å; V621-H632 VanDerWaalsContact CG1-CE1 3.44Å; V621-H632 WeakPolarHBondContact CG1-CE1 3.5Å; V621-L635 HydrophobicContact CB-CD2 4.1Å; V621-L635 HydrophobicContact CG1-CD2 4.26Å; V621-L635 HydrophobicContact CG2-CD2 3.94Å
622Y84.8Confident84.2Confident85 Ų8551.1 Ų51.133%0.33324%0.241SC..Iπ-helixtrans-92.3-30.4-172.7-64-62.3000114.3E618 N625E618-Y622 HydrophobicContact CB-CD2 4.15Å; E618-Y622 HydrophobicContact CB-CE2 4.46Å; E618-Y622 HydrophobicContact CG-CD2 4.34Å; E618-Y622 HydrophobicContact CG-CE2 4.15Å; E618-Y622 WeakPolarHBondContact O-CB 3.49Å; E618-Y622 VanDerWaalsContact O-CD2 3.3Å; E618-Y622 WeakPolarHBondContact O-CD2 3.4Å; E618-Y622 PolarHBondContact O-N 3.45Å; Y622-N625 PolarHBondContact O-OD1 2.97Å
623Q82.9Confident84.4Confident123 Ų12350.7 Ų50.758%0.57524%0.238SC*.Iπ-helixtrans-99-42.6-177.4-54-163.22600111.8Y619Y619-Q623 HydrophobicContact CD1-CB 4.4Å; Y619-Q623 HydrophobicContact CD2-CB 4.42Å; Y619-Q623 HydrophobicContact CD2-CG 4.07Å; Y619-Q623 VanDerWaalsContact CD2-NE2 3.28Å; Y619-Q623 HydrophobicContact CE1-CB 4.32Å; Y619-Q623 HydrophobicContact CE2-CB 4.35Å; Y619-Q623 HydrophobicContact CE2-CG 4.15Å; Y619-Q623 VanDerWaalsContact CE2-NE2 3.31Å; Y619-Q623 HydrophobicContact CG-CB 4.42Å; Y619-Q623 HydrophobicContact CG-CG 4.42Å; Y619-Q623 WeakPolarHBondContact O-CA 3.46Å; Y619-Q623 VanDerWaalsContact O-CB 3.27Å; Y619-Q623 WeakPolarHBondContact O-CB 3.47Å; Y619-Q623 PolarHBondContact O-N 2.88Å; Y619-Q623 PolarHBondContact OH-OE1 2.96Å
624W80.5Confident84.4Confident35 Ų3552.5 Ų52.513%0.13325%0.247CC..SBendtrans-86.4-7.2175.6-68.7-10000114.2F586 V593 K594 K598 Y619 V620 D626F586-W624 VanDerWaalsContact O-CH2 3.25Å; F586-W624 WeakPolarHBondContact O-CH2 3.32Å; V593-W624 HydrophobicContact CG1-CH2 4.03Å; V593-W624 HydrophobicContact CG1-CZ2 4.14Å; K594-W624 HydrophobicContact CG-CZ2 4.23Å; K598-W624 HydrophobicContact CD-CE3 4.05Å; K598-W624 HydrophobicContact CD-CZ3 4.07Å; K598-W624 HydrophobicContact CG-CZ3 4.18Å; Y619-W624 HydrophobicContact CD1-CD2 4.32Å; Y619-W624 HydrophobicContact CD1-CZ2 4.35Å; Y619-W624 AromaticContact CE1-CD1 3.96Å; Y619-W624 HydrophobicContact CE1-CD2 4.36Å; Y619-W624 AromaticContact CE1-CE2 3.68Å; Y619-W624 HydrophobicContact CE1-CZ2 4.04Å; Y619-W624 AromaticContact CE1-NE1 3.42Å; Y619-W624 PolarHBondContact O-N 3.44Å; Y619-W624 VanDerWaalsContact O-N 3.1Å; V620-W624 HydrophobicContact CB-CE3 4.38Å; V620-W624 HydrophobicContact CG1-CE3 4.48Å; V620-W624 HydrophobicContact CG2-CE3 3.82Å; V620-W624 HydrophobicContact CG2-CZ3 3.98Å; V620-W624 CarbonylContact O-C 3.54Å; V620-W624 WeakPolarHBondContact O-CB 3.37Å; W624-D626 PolarHBondContact O-N 3.08Å
625N80.2Confident84.5Confident120 Ų12051.1 Ų51.164%0.64224%0.239SC*.  trans47.242.5-178-70.7-27.1000112.4V620 V621 Y622 E627V620-N625 PolarHBondContact O-N 3.04Å; V621-N625 WeakPolarHBondContact O-CA 3.31Å; Y622-N625 PolarHBondContact O-OD1 2.97Å; N625-E627 PolarHBondContact O-N 2.95Å
626D79.9Confident84.6Confident28 Ų2848.7 Ų48.715%0.1522%0.223CC..  trans-67.3131.5179.3-159.4-52.7000110.3K598 V620 W624 N628 F631 H632K598-D626 WeakPolarHBondContact CD-OD2 3.43Å; K598-D626 WeakPolarHBondContact CE-OD2 3.08Å; K598-D626 IonicContact NZ-OD2 2.65Å; K598-D626 PolarHBondContact NZ-OD2 3.32Å; V620-D626 HydrophobicContact CG1-CB 3.6Å; V620-D626 PolarHBondContact O-N 3.1Å; V620-D626 VanDerWaalsContact O-N 3.16Å; W624-D626 PolarHBondContact O-N 3.08Å; D626-N628 VanDerWaalsContact C-N 3.34Å; D626-N628 WeakPolarHBondContact OD1-CB 3.24Å; D626-N628 PolarHBondContact OD1-N 2.86Å; D626-F631 HydrophobicContact CB-CD2 4.5Å; D626-H632 PolarHBondContact O-NE2 2.76Å
627E83.8Confident84.7Confident121 Ų12151.9 Ų51.957%0.56524%0.238SC*.  trans-89.61.2-176.5-56.9-166.6143.700113N625 E629 Y685N625-E627 PolarHBondContact O-N 2.95Å; E627-E629 PolarHBondContact O-N 3.41Å; E627-Y685 HydrophobicContact CB-CD1 3.85Å; E627-Y685 HydrophobicContact CB-CD2 4.47Å; E627-Y685 HydrophobicContact CB-CE1 3.52Å; E627-Y685 HydrophobicContact CB-CE2 4.2Å; E627-Y685 HydrophobicContact CB-CG 4.32Å; E627-Y685 VanDerWaalsContact CD-OH 3.25Å; E627-Y685 HydrophobicContact CG-CE1 3.76Å; E627-Y685 HydrophobicContact CG-CE2 4.04Å; E627-Y685 VanDerWaalsContact CG-CZ 3.48Å; E627-Y685 WeakPolarHBondContact CG-OH 3.43Å; E627-Y685 WeakPolarHBondContact O-CB 3.21Å; E627-Y685 VanDerWaalsContact O-CD1 3.27Å; E627-Y685 WeakPolarHBondContact O-CD1 3.36Å; E627-Y685 PolarHBondContact OE1-OH 3.24Å
628N84.6Confident84.8Confident57 Ų5754.6 Ų54.631%0.30525%0.25SC..  trans-73.2116.7-171.8-163-47.8000113F599 D626 R630 F631 H632F599-N628 VanDerWaalsContact CE2-ND2 3.29Å; F599-N628 WeakPolarHBondContact CE2-ND2 3.35Å; F599-N628 WeakPolarHBondContact CZ-ND2 3.29Å; D626-N628 VanDerWaalsContact C-N 3.34Å; D626-N628 WeakPolarHBondContact OD1-CB 3.24Å; D626-N628 PolarHBondContact OD1-N 2.86Å; N628-R630 PolarHBondContact O-N 2.95Å; N628-R630 PolarHBondContact OD1-N 3.27Å; N628-F631 HydrophobicContact CB-CD2 3.67Å; N628-F631 HydrophobicContact CB-CE2 3.97Å; N628-F631 PolarHBondContact O-N 3.19Å; N628-H632 PolarHBondContact O-CD2 3.13Å; N628-H632 VanDerWaalsContact O-CD2 3.3Å
629E85Confident84.8Confident121 Ų12152.4 Ų52.457%0.56524%0.24SC*.Hα-helixtrans-48.4-39.6-176.4-54.1-177.9170.300113.5E627 F631 H632 D633 Y685E627-E629 PolarHBondContact O-N 3.41Å; E629-F631 PolarHBondContact O-N 2.97Å; E629-H632 PolarHBondContact O-N 3.12Å; E629-D633 WeakPolarHBondContact O-CB 3.26Å; E629-D633 VanDerWaalsContact O-CG 3.23Å; E629-D633 PolarHBondContact O-N 3.34Å; E629-Y685 WeakPolarHBondContact CA-O 3.44Å; E629-Y685 VanDerWaalsContact CB-O 3.28Å; E629-Y685 WeakPolarHBondContact CB-O 3.15Å; E629-Y685 WeakPolarHBondContact CG-O 3.45Å
630R85.4Confident84.9Confident167 Ų16750.7 Ų50.763%0.6323%0.233SC*.Hα-helixtrans-65.5-36.3-177.4-72.2-168.3175.1-173.7-0.4114F599 N628 H632 D633 I634F599-R630 HydrophobicContact CE1-CB 3.76Å; F599-R630 HydrophobicContact CE1-CG 4.39Å; F599-R630 HydrophobicContact CZ-CB 4.13Å; N628-R630 PolarHBondContact O-N 2.95Å; N628-R630 PolarHBondContact OD1-N 3.27Å; R630-H632 VanDerWaalsContact C-N 3.33Å; R630-D633 PolarHBondContact O-N 2.72Å; R630-I634 WeakPolarHBondContact O-CD1 3.45Å; R630-I634 WeakPolarHBondContact O-CG1 3.47Å; R630-I634 PolarHBondContact O-N 3.47Å
631F86.3Confident85.1Confident2 Ų256.2 Ų56.21%0.00926%0.257CS..Hα-helixtrans-68.6-39.9178.1-64.8-46000110.5K598 F599 L602 L617 V620 D626 N628 E629 L635K598-F631 HydrophobicContact CB-CE1 4.37Å; K598-F631 HydrophobicContact CB-CE2 3.92Å; K598-F631 HydrophobicContact CB-CZ 3.5Å; K598-F631 VanDerWaalsContact CB-CZ 3.5Å; K598-F631 HydrophobicContact CD-CE2 4.29Å; F599-F631 AromaticContact CD1-CE1 3.71Å; F599-F631 HydrophobicContact CD1-CE1 3.71Å; F599-F631 AromaticContact CD1-CZ 3.83Å; F599-F631 HydrophobicContact CD1-CZ 3.83Å; F599-F631 AromaticContact CD2-CZ 3.87Å; F599-F631 HydrophobicContact CD2-CZ 3.87Å; F599-F631 HydrophobicContact CE1-CD1 4.33Å; F599-F631 AromaticContact CE1-CE1 3.72Å; F599-F631 HydrophobicContact CE1-CE1 3.72Å; F599-F631 HydrophobicContact CE1-CE2 4.46Å; F599-F631 AromaticContact CE1-CZ 3.76Å; F599-F631 HydrophobicContact CE1-CZ 3.76Å; F599-F631 HydrophobicContact CE2-CE2 4.18Å; F599-F631 AromaticContact CE2-CZ 3.82Å; F599-F631 HydrophobicContact CE2-CZ 3.82Å; F599-F631 HydrophobicContact CG-CE1 4.17Å; F599-F631 AromaticContact CG-CZ 3.89Å; F599-F631 HydrophobicContact CG-CZ 3.89Å; F599-F631 HydrophobicContact CZ-CE1 4.18Å; F599-F631 HydrophobicContact CZ-CE2 4.11Å; F599-F631 AromaticContact CZ-CZ 3.77Å; F599-F631 HydrophobicContact CZ-CZ 3.77Å; L602-F631 HydrophobicContact CB-CE1 4.47Å; L602-F631 HydrophobicContact CD2-CD1 4Å; L602-F631 HydrophobicContact CD2-CE1 3.97Å; L617-F631 HydrophobicContact CD2-CB 4.01Å; L617-F631 HydrophobicContact CD2-CD1 3.73Å; L617-F631 HydrophobicContact CD2-CG 4.22Å; V620-F631 HydrophobicContact CG1-CD2 3.97Å; V620-F631 HydrophobicContact CG1-CE2 4.4Å; V620-F631 HydrophobicContact CG1-CG 4.34Å; D626-F631 HydrophobicContact CB-CD2 4.5Å; N628-F631 HydrophobicContact CB-CD2 3.67Å; N628-F631 HydrophobicContact CB-CE2 3.97Å; N628-F631 PolarHBondContact O-N 3.19Å; E629-F631 PolarHBondContact O-N 2.97Å; F631-L635 VanDerWaalsContact O-CB 3.23Å; F631-L635 WeakPolarHBondContact O-CB 3.44Å; F631-L635 PolarHBondContact O-N 3.16Å
632H87.1Confident85.1Confident6 Ų659.4 Ų59.43%0.02827%0.271CS..Hα-helixtrans-66.8-41.2175.4-69.6-91000111.7V621 D626 N628 E629 R630 L635 G636 F679 S683 Y685V621-H632 VanDerWaalsContact CG1-CE1 3.44Å; V621-H632 WeakPolarHBondContact CG1-CE1 3.5Å; D626-H632 PolarHBondContact O-NE2 2.76Å; N628-H632 PolarHBondContact O-CD2 3.13Å; N628-H632 VanDerWaalsContact O-CD2 3.3Å; E629-H632 PolarHBondContact O-N 3.12Å; R630-H632 VanDerWaalsContact C-N 3.33Å; H632-L635 PolarHBondContact O-N 3.24Å; H632-G636 PolarHBondContact O-N 2.69Å; H632-F679 HydrophobicContact CB-CE2 4.47Å; H632-F679 HydrophobicContact CB-CZ 4.1Å; H632-F679 AromaticContact ND1-CE2 3.79Å; H632-F679 WeakPolarHBondContact O-CZ 3.4Å; H632-S683 PolarHBondContact CE1-OG 3.36Å; H632-S683 VanDerWaalsContact CE1-OG 3.31Å; H632-S683 WeakPolarHBondContact ND1-CB 3.4Å; H632-S683 PolarHBondContact ND1-OG 2.89Å; H632-Y685 AromaticContact CE1-CD2 3.89Å; H632-Y685 AromaticContact NE2-CD2 3.67Å
633D86.9Confident85.1Confident19 Ų1955.4 Ų55.410%0.10226%0.255CS..Hα-helixtrans-57.7-58.5174-72.4-17.9000110.4E629 R630 L635 G636 E637 Y686 N687E629-D633 WeakPolarHBondContact O-CB 3.26Å; E629-D633 VanDerWaalsContact O-CG 3.23Å; E629-D633 PolarHBondContact O-N 3.34Å; R630-D633 PolarHBondContact O-N 2.72Å; D633-L635 VanDerWaalsContact C-N 3.29Å; D633-L635 PolarHBondContact O-N 3.03Å; D633-G636 CarbonylContact O-C 3.41Å; D633-G636 WeakPolarHBondContact O-CA 3.42Å; D633-G636 PolarHBondContact O-N 2.91Å; D633-E637 VanDerWaalsContact O-CG 3.28Å; D633-E637 WeakPolarHBondContact O-CG 3.44Å; D633-E637 PolarHBondContact O-N 3.4Å; D633-Y686 WeakPolarHBondContact OD1-CA 3.42Å; D633-N687 WeakPolarHBondContact OD1-CB 3.31Å; D633-N687 PolarHBondContact OD1-N 2.65Å
634I85.6Confident85.1Confident40 Ų4052.8 Ų52.821%0.20524%0.242CC..Hα-helixtrans-59.7-40.8-177.3-63.1166.3000110.9L602 L617 R630 E637 K638L602-I634 HydrophobicContact CD2-CD1 3.6Å; L617-I634 HydrophobicContact CD1-CB 4.12Å; L617-I634 HydrophobicContact CD1-CG2 3.62Å; R630-I634 WeakPolarHBondContact O-CD1 3.45Å; R630-I634 WeakPolarHBondContact O-CG1 3.47Å; R630-I634 PolarHBondContact O-N 3.47Å; I634-E637 PolarHBondContact O-N 3.17Å; I634-K638 HydrophobicContact CG2-CG 4.42Å; I634-K638 WeakPolarHBondContact O-CB 3.33Å; I634-K638 WeakPolarHBondContact O-CG 3.46Å; I634-K638 PolarHBondContact O-N 3.4Å
635L87.8Confident85.3Confident0 Ų055.1 Ų55.10%026%0.257CS..Hα-helixtrans-63.5-44.2176.6-174.867.4000111.3T614 L617 E618 V621 F631 H632 D633 K638 Y639 F679T614-L635 HydrophobicContact CG2-CD1 4.2Å; L617-L635 HydrophobicContact CB-CB 4.19Å; L617-L635 HydrophobicContact CB-CD1 3.66Å; L617-L635 HydrophobicContact CB-CG 4.35Å; L617-L635 HydrophobicContact CD1-CB 4.21Å; L617-L635 HydrophobicContact CD1-CD1 4.46Å; E618-L635 HydrophobicContact CG-CD1 4.07Å; V621-L635 HydrophobicContact CB-CD2 4.1Å; V621-L635 HydrophobicContact CG1-CD2 4.26Å; V621-L635 HydrophobicContact CG2-CD2 3.94Å; F631-L635 VanDerWaalsContact O-CB 3.23Å; F631-L635 WeakPolarHBondContact O-CB 3.44Å; F631-L635 PolarHBondContact O-N 3.16Å; H632-L635 PolarHBondContact O-N 3.24Å; D633-L635 VanDerWaalsContact C-N 3.29Å; D633-L635 PolarHBondContact O-N 3.03Å; L635-K638 PolarHBondContact O-N 2.92Å; L635-Y639 HydrophobicContact CD1-CE1 3.95Å; L635-Y639 HydrophobicContact CD1-CE2 4.09Å; L635-Y639 HydrophobicContact CD2-CE2 4Å; L635-Y639 HydrophobicContact CG-CD2 4.25Å; L635-Y639 HydrophobicContact CG-CE1 4.46Å; L635-Y639 HydrophobicContact CG-CE2 3.73Å; L635-Y639 PolarHBondContact O-N 3.43Å; L635-F679 HydrophobicContact CB-CE2 4.49Å; L635-F679 HydrophobicContact CD2-CD2 3.9Å; L635-F679 HydrophobicContact CD2-CE2 3.78Å; L635-F679 HydrophobicContact CG-CE2 4.35Å
636G87.1Confident85.4Confident0 Ų050.8 Ų50.80%023%0.234CC..Hα-helixtrans-59.8-44.9173.900000112.5H632 D633 K638 Y639 I640H632-G636 PolarHBondContact O-N 2.69Å; D633-G636 CarbonylContact O-C 3.41Å; D633-G636 WeakPolarHBondContact O-CA 3.42Å; D633-G636 PolarHBondContact O-N 2.91Å; G636-K638 VanDerWaalsContact C-N 3.32Å; G636-K638 PolarHBondContact O-N 3.28Å; G636-Y639 PolarHBondContact O-N 2.95Å; G636-I640 WeakPolarHBondContact O-CB 3.31Å; G636-I640 WeakPolarHBondContact O-CG1 3.2Å; G636-I640 PolarHBondContact O-N 3.37Å
637E87.8Confident85.3Confident70 Ų7051.2 Ų51.233%0.32723%0.234SC..Hα-helixtrans-60.3-42.1176.1-61.4-167.2154.300111.6D633 I634 I640 K641 L691 Q694D633-E637 VanDerWaalsContact O-CG 3.28Å; D633-E637 WeakPolarHBondContact O-CG 3.44Å; D633-E637 PolarHBondContact O-N 3.4Å; I634-E637 PolarHBondContact O-N 3.17Å; E637-I640 PolarHBondContact O-N 3.34Å; E637-K641 VanDerWaalsContact O-CB 3.3Å; E637-K641 WeakPolarHBondContact O-CB 3.38Å; E637-K641 PolarHBondContact O-N 3Å; E637-L691 HydrophobicContact CG-CD2 4.17Å; E637-Q694 PolarHBondContact OE1-NE2 3.41Å
638K86.9Confident85Confident58 Ų5853.3 Ų53.325%0.25225%0.245SC..Hα-helixtrans-65.9-45178.2-70.4-69.8-177.41730111.8I634 L635 G636 K641 E642I634-K638 HydrophobicContact CG2-CG 4.42Å; I634-K638 WeakPolarHBondContact O-CB 3.33Å; I634-K638 WeakPolarHBondContact O-CG 3.46Å; I634-K638 PolarHBondContact O-N 3.4Å; L635-K638 PolarHBondContact O-N 2.92Å; G636-K638 VanDerWaalsContact C-N 3.32Å; G636-K638 PolarHBondContact O-N 3.28Å; K638-K641 PolarHBondContact O-N 3.08Å; K638-E642 WeakPolarHBondContact O-CB 3.39Å; K638-E642 PolarHBondContact O-N 3.15Å
639Y87.6Confident84.8Confident2 Ų254 Ų541%0.00826%0.255CS..Hα-helixtrans-62.4-44.5174-69.6-23.5000111.9T614 E618 L635 G636 K641 E642 V643 K675 F679T614-Y639 HydrophobicContact CG2-CD1 4.35Å; T614-Y639 HydrophobicContact CG2-CE1 3.8Å; E618-Y639 WeakPolarHBondContact CG-OH 3.25Å; E618-Y639 PolarHBondContact OE1-OH 2.84Å; E618-Y639 VanDerWaalsContact OE1-OH 3.09Å; L635-Y639 HydrophobicContact CD1-CE1 3.95Å; L635-Y639 HydrophobicContact CD1-CE2 4.09Å; L635-Y639 HydrophobicContact CD2-CE2 4Å; L635-Y639 HydrophobicContact CG-CD2 4.25Å; L635-Y639 HydrophobicContact CG-CE1 4.46Å; L635-Y639 HydrophobicContact CG-CE2 3.73Å; L635-Y639 PolarHBondContact O-N 3.43Å; G636-Y639 PolarHBondContact O-N 2.95Å; Y639-K641 VanDerWaalsContact C-N 3.27Å; Y639-K641 PolarHBondContact O-N 2.96Å; Y639-E642 PolarHBondContact O-N 3.45Å; Y639-V643 VanDerWaalsContact O-CG2 3.23Å; Y639-V643 WeakPolarHBondContact O-CG2 3.48Å; Y639-V643 PolarHBondContact O-N 3.25Å; Y639-K675 HydrophobicContact CD1-CD 4.29Å; Y639-K675 HydrophobicContact CE1-CD 3.76Å; Y639-K675 HydrophobicContact CE1-CG 4.12Å; Y639-K675 HydrophobicContact CE2-CG 4.41Å; Y639-K675 WeakPolarHBondContact OH-CE 2.87Å; Y639-F679 HydrophobicContact CD2-CB 3.89Å; Y639-F679 HydrophobicContact CD2-CD1 4.13Å; Y639-F679 AromaticContact CD2-CG 3.91Å; Y639-F679 HydrophobicContact CD2-CG 3.91Å; Y639-F679 HydrophobicContact CE2-CB 3.68Å; Y639-F679 HydrophobicContact CE2-CD1 4.45Å; Y639-F679 HydrophobicContact CE2-CD2 4.08Å; Y639-F679 AromaticContact CE2-CG 3.8Å; Y639-F679 HydrophobicContact CE2-CG 3.8Å
640I86Confident84.1Confident1 Ų154.5 Ų54.51%0.00525%0.253CS..Hα-helixtrans-60.2-41.5176.4-68.7169.7000110.5G636 E637 V643 K644 L676 L691 Q694 L695G636-I640 WeakPolarHBondContact O-CB 3.31Å; G636-I640 WeakPolarHBondContact O-CG1 3.2Å; G636-I640 PolarHBondContact O-N 3.37Å; E637-I640 PolarHBondContact O-N 3.34Å; I640-V643 PolarHBondContact O-N 2.98Å; I640-K644 HydrophobicContact CG2-CD 4.14Å; I640-K644 HydrophobicContact CG2-CG 4.4Å; I640-K644 WeakPolarHBondContact O-CB 3.22Å; I640-K644 VanDerWaalsContact O-CG 3.27Å; I640-K644 WeakPolarHBondContact O-CG 3.39Å; I640-K644 PolarHBondContact O-N 3.3Å; I640-L676 HydrophobicContact CG1-CD1 3.94Å; I640-L676 HydrophobicContact CG1-CD2 4.15Å; I640-L691 HydrophobicContact CD1-CB 4.04Å; I640-L691 HydrophobicContact CD1-CD2 3.9Å; I640-L691 HydrophobicContact CD1-CG 4.46Å; I640-Q694 HydrophobicContact CD1-CB 4.17Å; I640-Q694 HydrophobicContact CG2-CB 4.13Å; I640-L695 HydrophobicContact CD1-CD2 3.92Å; I640-L695 HydrophobicContact CD1-CG 4Å; I640-L695 HydrophobicContact CG1-CD2 3.78Å; I640-L695 HydrophobicContact CG1-CG 4.42Å; I640-L695 HydrophobicContact CG2-CD2 4.19Å
641K86.9Confident83.1Confident117 Ų11747.5 Ų47.551%0.50923%0.232SC..Hα-helixtrans-64.4-46.3176.9-171.2-178176.7-176.30111.8E637 K638 Y639 V643 K644 D645E637-K641 VanDerWaalsContact O-CB 3.3Å; E637-K641 WeakPolarHBondContact O-CB 3.38Å; E637-K641 PolarHBondContact O-N 3Å; K638-K641 PolarHBondContact O-N 3.08Å; Y639-K641 VanDerWaalsContact C-N 3.27Å; Y639-K641 PolarHBondContact O-N 2.96Å; K641-V643 VanDerWaalsContact C-N 3.33Å; K641-V643 PolarHBondContact O-N 2.86Å; K641-K644 WeakPolarHBondContact O-CB 3.34Å; K641-K644 PolarHBondContact O-N 3.12Å; K641-D645 WeakPolarHBondContact O-CB 3.41Å; K641-D645 VanDerWaalsContact O-CG 3.23Å; K641-D645 PolarHBondContact O-N 3.49Å
642E85Confident82Confident75 Ų7549.7 Ų49.735%0.3525%0.247SC..Hα-helixtrans-56-48.2176-177-177.8176.500111K638 Y639 K644 D645 L646 A672K638-E642 WeakPolarHBondContact O-CB 3.39Å; K638-E642 PolarHBondContact O-N 3.15Å; Y639-E642 PolarHBondContact O-N 3.45Å; E642-K644 PolarHBondContact O-N 2.93Å; E642-D645 PolarHBondContact O-N 3.2Å; E642-L646 HydrophobicContact CG-CD1 4.31Å; E642-L646 WeakPolarHBondContact O-CB 3.23Å; E642-L646 VanDerWaalsContact O-CG 3.3Å; E642-L646 WeakPolarHBondContact O-CG 3.44Å; E642-L646 PolarHBondContact O-N 2.91Å; E642-A672 HydrophobicContact CG-CB 4.43Å
643V83.9Confident80.6Confident1 Ų157.6 Ų57.61%0.00629%0.289CS..Hα-helixtrans-67-38.8178.9-170.80000110.8Y639 I640 K641 L646 Y647 L669 A672 E673 L676 M700Y639-V643 VanDerWaalsContact O-CG2 3.23Å; Y639-V643 WeakPolarHBondContact O-CG2 3.48Å; Y639-V643 PolarHBondContact O-N 3.25Å; I640-V643 PolarHBondContact O-N 2.98Å; K641-V643 VanDerWaalsContact C-N 3.33Å; K641-V643 PolarHBondContact O-N 2.86Å; V643-L646 PolarHBondContact O-N 3.04Å; V643-Y647 HydrophobicContact CG1-CD2 3.81Å; V643-Y647 HydrophobicContact CG1-CE2 3.8Å; V643-Y647 VanDerWaalsContact O-CD2 3.3Å; V643-Y647 WeakPolarHBondContact O-CD2 3.32Å; V643-Y647 PolarHBondContact O-N 3.29Å; V643-L669 HydrophobicContact CG1-CD1 3.98Å; V643-A672 HydrophobicContact CG2-CB 3.72Å; V643-E673 HydrophobicContact CG1-CG 3.85Å; V643-L676 HydrophobicContact CG2-CB 4.35Å; V643-L676 HydrophobicContact CG2-CD2 4.24Å; V643-M700 HydrophobicContact CB-CE 3.66Å; V643-M700 HydrophobicContact CB-SD 4.26Å; V643-M700 HydrophobicContact CG1-CE 3.16Å; V643-M700 HydrophobicContact CG1-SD 3.79Å
644K83.5Confident79.1Confident69 Ų6963.2 Ų63.230%0.332%0.315SS..Hα-helixtrans-60.5-46.7173.9-81.4175.2179.8176.20112.6I640 K641 E642 L646 Y647 M648 Q694 P696I640-K644 HydrophobicContact CG2-CD 4.14Å; I640-K644 HydrophobicContact CG2-CG 4.4Å; I640-K644 WeakPolarHBondContact O-CB 3.22Å; I640-K644 VanDerWaalsContact O-CG 3.27Å; I640-K644 WeakPolarHBondContact O-CG 3.39Å; I640-K644 PolarHBondContact O-N 3.3Å; K641-K644 WeakPolarHBondContact O-CB 3.34Å; K641-K644 PolarHBondContact O-N 3.12Å; E642-K644 PolarHBondContact O-N 2.93Å; K644-L646 VanDerWaalsContact C-N 3.28Å; K644-L646 PolarHBondContact O-N 2.98Å; K644-Y647 CarbonylContact O-C 3.52Å; K644-Y647 WeakPolarHBondContact O-CB 3.43Å; K644-Y647 PolarHBondContact O-N 3.27Å; K644-Y647 VanDerWaalsContact O-N 3.12Å; K644-M648 WeakPolarHBondContact O-CG 3.35Å; K644-M648 PolarHBondContact O-N 2.83Å; K644-Q694 WeakPolarHBondContact CE-O 3.29Å; K644-Q694 PolarHBondContact NZ-O 3.44Å; K644-P696 HydrophobicContact CD-CG 4.31Å; K644-P696 HydrophobicContact CG-CG 3.71Å
645D83.9Confident77.5Confident83 Ų8365.7 Ų65.744%0.44433%0.333SS..Hα-helixtrans-64.9-36.7-179.2-67.4-16.5000110.2K641 E642 M648 S649K641-D645 WeakPolarHBondContact O-CB 3.41Å; K641-D645 VanDerWaalsContact O-CG 3.23Å; K641-D645 PolarHBondContact O-N 3.49Å; E642-D645 PolarHBondContact O-N 3.2Å; D645-M648 PolarHBondContact O-N 2.84Å; D645-S649 PolarHBondContact O-N 3.38Å; D645-S649 VanDerWaalsContact O-N 3.09Å; D645-S649 PolarHBondContact O-OG 3.24Å
646L82.8Confident75.8Confident30 Ų3067.8 Ų67.816%0.15736%0.355CS..Hα-helixtrans-67.4-37.9171-69.4172.1000112.6E642 V643 K644 S649 Y650 A668 L669 A672E642-L646 HydrophobicContact CG-CD1 4.31Å; E642-L646 WeakPolarHBondContact O-CB 3.23Å; E642-L646 VanDerWaalsContact O-CG 3.3Å; E642-L646 WeakPolarHBondContact O-CG 3.44Å; E642-L646 PolarHBondContact O-N 2.91Å; V643-L646 PolarHBondContact O-N 3.04Å; K644-L646 VanDerWaalsContact C-N 3.28Å; K644-L646 PolarHBondContact O-N 2.98Å; L646-S649 VanDerWaalsContact CA-OG 3.3Å; L646-S649 WeakPolarHBondContact CA-OG 3.36Å; L646-S649 PolarHBondContact O-N 2.88Å; L646-S649 PolarHBondContact O-OG 3.4Å; L646-Y650 HydrophobicContact CD2-CD2 4.26Å; L646-Y650 HydrophobicContact CD2-CE2 3.92Å; L646-Y650 WeakPolarHBondContact O-CD2 3.17Å; L646-Y650 PolarHBondContact O-N 3.09Å; L646-A668 HydrophobicContact CD2-CB 4.35Å; L646-L669 HydrophobicContact CB-CD1 3.64Å; L646-A672 HydrophobicContact CD1-CB 3.62Å
647Y77.4Confident74.2Confident37 Ų3771.1 Ų71.115%0.14538%0.376CS..Hα-helixtrans-67.1-34.6172.4-95-73000112.9V643 K644 S649 G651 F659 L669 E673 V699 M700V643-Y647 HydrophobicContact CG1-CD2 3.81Å; V643-Y647 HydrophobicContact CG1-CE2 3.8Å; V643-Y647 VanDerWaalsContact O-CD2 3.3Å; V643-Y647 WeakPolarHBondContact O-CD2 3.32Å; V643-Y647 PolarHBondContact O-N 3.29Å; K644-Y647 CarbonylContact O-C 3.52Å; K644-Y647 WeakPolarHBondContact O-CB 3.43Å; K644-Y647 PolarHBondContact O-N 3.27Å; K644-Y647 VanDerWaalsContact O-N 3.12Å; Y647-S649 VanDerWaalsContact C-N 3.31Å; Y647-G651 WeakPolarHBondContact O-CA 3.18Å; Y647-G651 PolarHBondContact O-N 2.87Å; Y647-F659 HydrophobicContact CD1-CE2 4.46Å; Y647-F659 AromaticContact CE1-CE2 3.67Å; Y647-F659 HydrophobicContact CE1-CE2 3.67Å; Y647-F659 HydrophobicContact CE1-CZ 4.29Å; Y647-L669 HydrophobicContact CD1-CD2 4.43Å; Y647-L669 HydrophobicContact CD2-CD1 3.69Å; Y647-L669 HydrophobicContact CE1-CD2 4.05Å; Y647-L669 HydrophobicContact CE2-CD1 3.66Å; Y647-L669 HydrophobicContact CE2-CD2 4.19Å; Y647-L669 HydrophobicContact CE2-CG 4.32Å; Y647-L669 HydrophobicContact CG-CD1 4.26Å; Y647-E673 WeakPolarHBondContact CE2-OE1 3.37Å; Y647-E673 VanDerWaalsContact CZ-OE1 3.31Å; Y647-E673 PolarHBondContact OH-OE1 3.31Å; Y647-V699 HydrophobicContact CD1-CG1 3.74Å; Y647-V699 HydrophobicContact CD2-CG1 4.05Å; Y647-V699 HydrophobicContact CE1-CG1 3.21Å; Y647-V699 HydrophobicContact CE2-CG1 3.58Å; Y647-V699 HydrophobicContact CG-CG1 4.14Å; Y647-V699 WeakPolarHBondContact OH-CG1 3.25Å; Y647-M700 HydrophobicContact CD2-CE 3.69Å; Y647-M700 HydrophobicContact CE2-CE 3.85Å; Y647-M700 HydrophobicContact CE2-CG 4.25Å
648M78.6Confident72.6Confident164 Ų16476.3 Ų76.381%0.80840%0.4SS*.Hα-helixtrans-70.7-28.5175.8-73-177.162.700112.6K644 D645K644-M648 WeakPolarHBondContact O-CG 3.35Å; K644-M648 PolarHBondContact O-N 2.83Å; D645-M648 PolarHBondContact O-N 2.84Å
649S78.7Confident71Confident73 Ų7375.6 Ų75.651%0.5140%0.397SS..Hα-helixtrans-87.7-30.8-179.646.30000113.9D645 L646 Y647D645-S649 PolarHBondContact O-N 3.38Å; D645-S649 VanDerWaalsContact O-N 3.09Å; D645-S649 PolarHBondContact O-OG 3.24Å; L646-S649 VanDerWaalsContact CA-OG 3.3Å; L646-S649 WeakPolarHBondContact CA-OG 3.36Å; L646-S649 PolarHBondContact O-N 2.88Å; L646-S649 PolarHBondContact O-OG 3.4Å; Y647-S649 VanDerWaalsContact C-N 3.31Å
650Y70.5Confident69.1Low131 Ų13179.4 Ų79.451%0.51442%0.422SS..Hα-helixtrans-124.7-8.8-175-59.5-80000115.2L646 F659 P666L646-Y650 HydrophobicContact CD2-CD2 4.26Å; L646-Y650 HydrophobicContact CD2-CE2 3.92Å; L646-Y650 WeakPolarHBondContact O-CD2 3.17Å; L646-Y650 PolarHBondContact O-N 3.09Å; Y650-F659 WeakPolarHBondContact O-CE1 3.48Å; Y650-P666 HydrophobicContact CD1-CB 4.32Å; Y650-P666 HydrophobicContact CD1-CG 3.77Å; Y650-P666 HydrophobicContact CD2-CG 4.27Å; Y650-P666 HydrophobicContact CG-CB 4.27Å; Y650-P666 HydrophobicContact CG-CG 3.61Å
651G65.5Low67.4Low19 Ų1985.1 Ų85.120%0.19647%0.469CS..SBendtrans-76.5161.1-176.900000113Y647Y647-G651 WeakPolarHBondContact O-CA 3.18Å; Y647-G651 PolarHBondContact O-N 2.87Å
652P61.8Low65.5Low48 Ų4885.5 Ų85.531%0.31249%0.487SS..  trans-65140.8175.524.9-30.2000111.4Q654 T657P652-Q654 PolarHBondContact O-N 3.33Å; P652-T657 VanDerWaalsContact CG-O 3.3Å; P652-T657 WeakPolarHBondContact CG-O 3.37Å
653D58.3Low64Low172 Ų17284.4 Ų84.492%0.9249%0.49SS*.SBendtrans-55.2-20.4-178.7-70.3-38.9000114.1
654Q55.5Low63Low138 Ų13893.3 Ų93.365%0.64553%0.532SS*.SBendtrans-107.8129.3179.7-68.4-173.46.100112.1P652 G656 T657P652-Q654 PolarHBondContact O-N 3.33Å; Q654-G656 PolarHBondContact O-N 2.81Å; Q654-T657 WeakPolarHBondContact CB-OG1 3.39Å; Q654-T657 PolarHBondContact O-N 3.36Å; Q654-T657 PolarHBondContact O-OG1 3.21Å
655P51.7Low62.4Low91 Ų9193.2 Ų93.259%0.59153%0.531SS*.THydrogen-bonded Turntrans-60.3125.9171.7-13.223.4000110.6F698P655-F698 HydrophobicContact CB-CB 4.37Å; P655-F698 HydrophobicContact CB-CD1 4.11Å; P655-F698 HydrophobicContact CB-CD2 3.89Å; P655-F698 HydrophobicContact CB-CE1 4.3Å; P655-F698 HydrophobicContact CB-CE2 4.12Å; P655-F698 HydrophobicContact CB-CG 3.87Å; P655-F698 HydrophobicContact CB-CZ 4.3Å
656G52.1Low62.1Low44 Ų4490.8 Ų90.845%0.45452%0.52SS..THydrogen-bonded Turntrans91.9-0.5175.900000115.8Q654Q654-G656 PolarHBondContact O-N 2.81Å
657T54Low62.1Low71 Ų7197.4 Ų97.444%0.43655%0.548SS..PPolyproline II helixtrans-73.8127163.59.40000109.7P652 Q654P652-T657 VanDerWaalsContact CG-O 3.3Å; P652-T657 WeakPolarHBondContact CG-O 3.37Å; Q654-T657 WeakPolarHBondContact CB-OG1 3.39Å; Q654-T657 PolarHBondContact O-N 3.36Å; Q654-T657 PolarHBondContact O-OG1 3.21Å
658Q53.3Low62.3Low178 Ų17897.9 Ų97.983%0.83256%0.56SS**PPolyproline II helixtrans-60.3148.5167.8-67.8178.5-2.600108.9
659F53.9Low62.5Low44 Ų4490.1 Ų90.119%0.19352%0.521CS..PPolyproline II helixtrans-49.3129.5167-91.8-83.2000108.2Y647 Y650 A661 K665 L669Y647-F659 HydrophobicContact CD1-CE2 4.46Å; Y647-F659 AromaticContact CE1-CE2 3.67Å; Y647-F659 HydrophobicContact CE1-CE2 3.67Å; Y647-F659 HydrophobicContact CE1-CZ 4.29Å; Y650-F659 WeakPolarHBondContact O-CE1 3.48Å; F659-A661 PolarHBondContact O-N 2.97Å; F659-A661 VanDerWaalsContact O-N 3.17Å; F659-K665 HydrophobicContact CD2-CG 3.82Å; F659-K665 HydrophobicContact CE2-CG 3.97Å; F659-K665 HydrophobicContact CG-CG 4.19Å; F659-K665 HydrophobicContact CZ-CG 4.5Å; F659-L669 HydrophobicContact CE2-CD2 3.76Å; F659-L669 HydrophobicContact CZ-CD2 3.61Å
660P48.8Very low62.7Low82 Ų8290.3 Ų90.353%0.53252%0.516SS..PPolyproline II helixtrans-55.5128.9-178.620.3-29.5000108S662 A663P660-S662 PolarHBondContact O-N 3.44Å; P660-A663 HydrophobicContact CG-CB 4.24Å; P660-A663 PolarHBondContact O-N 3.41Å
661A50Low63.4Low121 Ų12187.5 Ų87.5100%151%0.513SS*.THydrogen-bonded Turntrans-56.1-1.3-173.400000115.4F659F659-A661 PolarHBondContact O-N 2.97Å; F659-A661 VanDerWaalsContact O-N 3.17Å
662S46.8Very low64.3Low125 Ų12586.7 Ų86.787%0.87450%0.504SS*.THydrogen-bonded Turntrans-105.2-5.9176.7-171.80000114.5P660P660-S662 PolarHBondContact O-N 3.44Å
663A53.9Low65.3Low52 Ų5285.4 Ų85.443%0.4349%0.494SS..SBendtrans-120108.3177.500000109.4P660 K665P660-A663 HydrophobicContact CG-CB 4.24Å; P660-A663 PolarHBondContact O-N 3.41Å; A663-K665 PolarHBondContact O-N 2.92Å
664E62.3Low66.7Low188 Ų18884.7 Ų84.788%0.87948%0.483SS*.PPolyproline II helixtrans-54137.1170-67.4178.5167.900109.2
665K70.5Confident68.2Low66 Ų6680.9 Ų80.929%0.28746%0.464SS..PPolyproline II helixtrans-49.9133.5173.2-76.2-178.9169.6-171.40108.5F659 A663 F667 L670 E673F659-K665 HydrophobicContact CD2-CG 3.82Å; F659-K665 HydrophobicContact CE2-CG 3.97Å; F659-K665 HydrophobicContact CG-CG 4.19Å; F659-K665 HydrophobicContact CZ-CG 4.5Å; A663-K665 PolarHBondContact O-N 2.92Å; K665-F667 PolarHBondContact O-N 3.41Å; K665-L670 HydrophobicContact CB-CD1 4.14Å; K665-L670 HydrophobicContact CB-CD2 3.72Å; K665-L670 HydrophobicContact CB-CG 3.68Å; K665-L670 HydrophobicContact CD-CD2 3.58Å; K665-L670 HydrophobicContact CD-CG 4.41Å; K665-L670 HydrophobicContact CG-CD2 4.29Å; K665-L670 WeakPolarHBondContact O-CD1 3.37Å; K665-E673 IonicContact NZ-OE1 3.34Å; K665-E673 PolarHBondContact NZ-OE1 3.46Å; K665-E673 IonicContact NZ-OE2 2.74Å; K665-E673 PolarHBondContact NZ-OE2 3.06Å
666P78.4Confident69.9Low33 Ų3376.6 Ų76.621%0.21444%0.436CS..PPolyproline II helixtrans-52.3137.5178.2-21.727.3000110.7Y650 A668 L669 L670Y650-P666 HydrophobicContact CD1-CB 4.32Å; Y650-P666 HydrophobicContact CD1-CG 3.77Å; Y650-P666 HydrophobicContact CD2-CG 4.27Å; Y650-P666 HydrophobicContact CG-CB 4.27Å; Y650-P666 HydrophobicContact CG-CG 3.61Å; P666-A668 PolarHBondContact O-N 3.39Å; P666-A668 VanDerWaalsContact O-N 3.16Å; P666-L669 HydrophobicContact CB-CB 4.36Å; P666-L669 WeakPolarHBondContact O-CA 3.42Å; P666-L669 WeakPolarHBondContact O-CB 3.19Å; P666-L669 PolarHBondContact O-N 3.31Å; P666-L670 PolarHBondContact O-N 2.94Å
667F81.2Confident71.5Confident168 Ų16876.8 Ų76.874%0.73743%0.426SS*.Hα-helixtrans-53.1-40.7-177.6-179.5-100.1000112.4K665 L669 L670 V671K665-F667 PolarHBondContact O-N 3.41Å; F667-L669 VanDerWaalsContact C-N 3.34Å; F667-L669 PolarHBondContact O-N 3.48Å; F667-L670 PolarHBondContact O-N 3.34Å; F667-V671 HydrophobicContact CD1-CG2 4.05Å; F667-V671 HydrophobicContact CE1-CG2 3.63Å; F667-V671 HydrophobicContact CE2-CG2 4.15Å; F667-V671 HydrophobicContact CG-CG2 4.48Å; F667-V671 HydrophobicContact CZ-CG2 3.69Å; F667-V671 VanDerWaalsContact O-CG2 3.31Å; F667-V671 WeakPolarHBondContact O-CG2 3.3Å; F667-V671 PolarHBondContact O-N 2.81Å
668A82.4Confident73Confident48 Ų4875.6 Ų75.640%0.39742%0.421SS..Hα-helixtrans-59.4-41.8176.100000112.8L646 P666 V671 A672L646-A668 HydrophobicContact CD2-CB 4.35Å; P666-A668 PolarHBondContact O-N 3.39Å; P666-A668 VanDerWaalsContact O-N 3.16Å; A668-V671 PolarHBondContact O-N 3.35Å; A668-A672 WeakPolarHBondContact O-CB 3.47Å; A668-A672 PolarHBondContact O-N 3.38Å
669L82.9Confident74.7Confident0 Ų067.1 Ų67.10%038%0.381CS..Hα-helixtrans-66.6-43.3177.3-176.467.7000111.2V643 L646 Y647 F659 P666 F667 V671 A672 E673V643-L669 HydrophobicContact CG1-CD1 3.98Å; L646-L669 HydrophobicContact CB-CD1 3.64Å; Y647-L669 HydrophobicContact CD1-CD2 4.43Å; Y647-L669 HydrophobicContact CD2-CD1 3.69Å; Y647-L669 HydrophobicContact CE1-CD2 4.05Å; Y647-L669 HydrophobicContact CE2-CD1 3.66Å; Y647-L669 HydrophobicContact CE2-CD2 4.19Å; Y647-L669 HydrophobicContact CE2-CG 4.32Å; Y647-L669 HydrophobicContact CG-CD1 4.26Å; F659-L669 HydrophobicContact CE2-CD2 3.76Å; F659-L669 HydrophobicContact CZ-CD2 3.61Å; P666-L669 HydrophobicContact CB-CB 4.36Å; P666-L669 WeakPolarHBondContact O-CA 3.42Å; P666-L669 WeakPolarHBondContact O-CB 3.19Å; P666-L669 PolarHBondContact O-N 3.31Å; F667-L669 VanDerWaalsContact C-N 3.34Å; F667-L669 PolarHBondContact O-N 3.48Å; L669-V671 VanDerWaalsContact C-N 3.32Å; L669-V671 PolarHBondContact O-N 2.93Å; L669-A672 PolarHBondContact O-N 3.41Å; L669-E673 HydrophobicContact CD1-CG 4.46Å; L669-E673 HydrophobicContact CG-CG 4.43Å; L669-E673 WeakPolarHBondContact O-CB 3.48Å; L669-E673 WeakPolarHBondContact O-CG 3.43Å; L669-E673 PolarHBondContact O-N 3.13Å
670L82.5Confident76.3Confident77 Ų7765 Ų6540%0.40337%0.372SS..Hα-helixtrans-60.1-42.2176.1-72.6172.6000112.2K665 P666 F667 K674K665-L670 HydrophobicContact CB-CD1 4.14Å; K665-L670 HydrophobicContact CB-CD2 3.72Å; K665-L670 HydrophobicContact CB-CG 3.68Å; K665-L670 HydrophobicContact CD-CD2 3.58Å; K665-L670 HydrophobicContact CD-CG 4.41Å; K665-L670 HydrophobicContact CG-CD2 4.29Å; K665-L670 WeakPolarHBondContact O-CD1 3.37Å; P666-L670 PolarHBondContact O-N 2.94Å; F667-L670 PolarHBondContact O-N 3.34Å; L670-K674 VanDerWaalsContact O-CB 3.27Å; L670-K674 WeakPolarHBondContact O-CB 3.11Å; L670-K674 PolarHBondContact O-N 3.06Å
671V85.6Confident77.9Confident72 Ų7267.6 Ų67.644%0.43638%0.377SS..Hα-helixtrans-64.9-46.8177.7172.20000110.5F667 A668 L669 K674 K675F667-V671 HydrophobicContact CD1-CG2 4.05Å; F667-V671 HydrophobicContact CE1-CG2 3.63Å; F667-V671 HydrophobicContact CE2-CG2 4.15Å; F667-V671 HydrophobicContact CG-CG2 4.48Å; F667-V671 HydrophobicContact CZ-CG2 3.69Å; F667-V671 VanDerWaalsContact O-CG2 3.31Å; F667-V671 WeakPolarHBondContact O-CG2 3.3Å; F667-V671 PolarHBondContact O-N 2.81Å; A668-V671 PolarHBondContact O-N 3.35Å; L669-V671 VanDerWaalsContact C-N 3.32Å; L669-V671 PolarHBondContact O-N 2.93Å; V671-K674 PolarHBondContact O-N 3.1Å; V671-K675 VanDerWaalsContact O-CB 3.27Å; V671-K675 WeakPolarHBondContact O-CB 3.42Å; V671-K675 PolarHBondContact O-N 3.43Å
672A84.1Confident79.5Confident2 Ų266.4 Ų66.42%0.01736%0.358CS..Hα-helixtrans-65.2-42179.500000112.3E642 V643 L646 A668 L669 K675 L676E642-A672 HydrophobicContact CG-CB 4.43Å; V643-A672 HydrophobicContact CG2-CB 3.72Å; L646-A672 HydrophobicContact CD1-CB 3.62Å; A668-A672 WeakPolarHBondContact O-CB 3.47Å; A668-A672 PolarHBondContact O-N 3.38Å; L669-A672 PolarHBondContact O-N 3.41Å; A672-K675 PolarHBondContact O-N 3.2Å; A672-L676 WeakPolarHBondContact O-CB 3.39Å; A672-L676 PolarHBondContact O-N 2.86Å
673E84.1Confident81.2Confident21 Ų2160.8 Ų60.810%0.09832%0.319CS..Hα-helixtrans-61-47174.6-76.4-173.5143.600111.6V643 Y647 K665 L669 K675 L676 L677V643-E673 HydrophobicContact CG1-CG 3.85Å; Y647-E673 WeakPolarHBondContact CE2-OE1 3.37Å; Y647-E673 VanDerWaalsContact CZ-OE1 3.31Å; Y647-E673 PolarHBondContact OH-OE1 3.31Å; K665-E673 IonicContact NZ-OE1 3.34Å; K665-E673 PolarHBondContact NZ-OE1 3.46Å; K665-E673 IonicContact NZ-OE2 2.74Å; K665-E673 PolarHBondContact NZ-OE2 3.06Å; L669-E673 HydrophobicContact CD1-CG 4.46Å; L669-E673 HydrophobicContact CG-CG 4.43Å; L669-E673 WeakPolarHBondContact O-CB 3.48Å; L669-E673 WeakPolarHBondContact O-CG 3.43Å; L669-E673 PolarHBondContact O-N 3.13Å; E673-K675 VanDerWaalsContact C-N 3.31Å; E673-K675 PolarHBondContact O-N 3.27Å; E673-L676 PolarHBondContact O-N 3.35Å; E673-L677 WeakPolarHBondContact O-CG 3.41Å; E673-L677 PolarHBondContact O-N 3.03Å
674K86.3Confident82.6Confident158 Ų15863.2 Ų63.269%0.68732%0.323SS*.Hα-helixtrans-63.6-38.7178.1-173.4176.8179.6-179.30111.6L670 V671 L677 S678L670-K674 VanDerWaalsContact O-CB 3.27Å; L670-K674 WeakPolarHBondContact O-CB 3.11Å; L670-K674 PolarHBondContact O-N 3.06Å; V671-K674 PolarHBondContact O-N 3.1Å; K674-L677 PolarHBondContact O-N 3.21Å; K674-S678 WeakPolarHBondContact O-CB 3.39Å; K674-S678 PolarHBondContact O-N 3.5Å; K674-S678 PolarHBondContact O-OG 2.9Å
675K87Confident83.7Confident57 Ų5757.7 Ų57.725%0.24830%0.295CS..Hα-helixtrans-62.8-48.4176.4-168.3179.2-172.1-1740111E618 Y639 V671 A672 E673 L677 S678 F679E618-K675 WeakPolarHBondContact OE1-CE 3.38Å; E618-K675 IonicContact OE1-NZ 2.74Å; E618-K675 PolarHBondContact OE1-NZ 2.75Å; E618-K675 IonicContact OE2-NZ 3.56Å; Y639-K675 HydrophobicContact CD1-CD 4.29Å; Y639-K675 HydrophobicContact CE1-CD 3.76Å; Y639-K675 HydrophobicContact CE1-CG 4.12Å; Y639-K675 HydrophobicContact CE2-CG 4.41Å; Y639-K675 WeakPolarHBondContact OH-CE 2.87Å; V671-K675 VanDerWaalsContact O-CB 3.27Å; V671-K675 WeakPolarHBondContact O-CB 3.42Å; V671-K675 PolarHBondContact O-N 3.43Å; A672-K675 PolarHBondContact O-N 3.2Å; E673-K675 VanDerWaalsContact C-N 3.31Å; E673-K675 PolarHBondContact O-N 3.27Å; K675-L677 PolarHBondContact O-N 3.16Å; K675-S678 PolarHBondContact O-N 3.03Å; K675-S678 PolarHBondContact O-OG 3.12Å; K675-F679 PolarHBondContact O-N 3Å
676L87.9Confident84.4Confident2 Ų255 Ų551%0.0128%0.283CS..Hα-helixtrans-59.2-47174.817762.4000111.8I640 V643 A672 E673 S678 F679 L680 L695 M700 A703I640-L676 HydrophobicContact CG1-CD1 3.94Å; I640-L676 HydrophobicContact CG1-CD2 4.15Å; V643-L676 HydrophobicContact CG2-CB 4.35Å; V643-L676 HydrophobicContact CG2-CD2 4.24Å; A672-L676 WeakPolarHBondContact O-CB 3.39Å; A672-L676 PolarHBondContact O-N 2.86Å; E673-L676 PolarHBondContact O-N 3.35Å; L676-S678 PolarHBondContact O-N 2.76Å; L676-F679 WeakPolarHBondContact O-CB 3.33Å; L676-F679 PolarHBondContact O-N 3.31Å; L676-L680 HydrophobicContact CD1-CD1 4.12Å; L676-L680 HydrophobicContact CD1-CG 4.18Å; L676-L680 HydrophobicContact CG-CD1 4.08Å; L676-L680 VanDerWaalsContact O-CG 3.32Å; L676-L680 WeakPolarHBondContact O-CG 3.42Å; L676-L680 PolarHBondContact O-N 3.2Å; L676-L695 HydrophobicContact CD2-CD2 4.27Å; L676-M700 HydrophobicContact CD2-SD 3.89Å; L676-A703 HydrophobicContact CD2-CB 4.29Å
677L85.6Confident84.7Confident47 Ų4755.9 Ų55.925%0.24629%0.286CS..Hα-helixtrans-61.1-46177.6-72.9172.4000111.8E673 K674 K675 F679 L680 E681 E702 A703E673-L677 WeakPolarHBondContact O-CG 3.41Å; E673-L677 PolarHBondContact O-N 3.03Å; K674-L677 PolarHBondContact O-N 3.21Å; K675-L677 PolarHBondContact O-N 3.16Å; L677-F679 VanDerWaalsContact C-N 3.26Å; L677-F679 PolarHBondContact O-N 2.84Å; L677-L680 PolarHBondContact O-N 3.34Å; L677-E681 WeakPolarHBondContact O-CB 3.17Å; L677-E681 WeakPolarHBondContact O-CG 3.45Å; L677-E681 PolarHBondContact O-N 3.13Å; L677-E702 HydrophobicContact CD1-CB 4.32Å; L677-E702 HydrophobicContact CD2-CB 3.81Å; L677-A703 HydrophobicContact CD2-CB 4.04Å
678S86.4Confident84.8Confident46 Ų4649.2 Ų49.232%0.32226%0.259SS..Hα-helixtrans-60.5-37177.672.40000112.2K674 K675 L676 T682K674-S678 WeakPolarHBondContact O-CB 3.39Å; K674-S678 PolarHBondContact O-N 3.5Å; K674-S678 PolarHBondContact O-OG 2.9Å; K675-S678 PolarHBondContact O-N 3.03Å; K675-S678 PolarHBondContact O-OG 3.12Å; L676-S678 PolarHBondContact O-N 2.76Å; S678-T682 VanDerWaalsContact O-CB 3.23Å; S678-T682 WeakPolarHBondContact O-CB 3.36Å; S678-T682 PolarHBondContact O-N 2.87Å; S678-T682 PolarHBondContact O-OG1 3.28Å
679F88.7Confident84.9Confident0 Ų051.9 Ų51.90%026%0.264CS..Hα-helixtrans-65.7-47.4174.4169.8-101.4000112H632 L635 Y639 K675 L676 L677 E681 T682 S683 Y686 L691H632-F679 HydrophobicContact CB-CE2 4.47Å; H632-F679 HydrophobicContact CB-CZ 4.1Å; H632-F679 AromaticContact ND1-CE2 3.79Å; H632-F679 WeakPolarHBondContact O-CZ 3.4Å; L635-F679 HydrophobicContact CB-CE2 4.49Å; L635-F679 HydrophobicContact CD2-CD2 3.9Å; L635-F679 HydrophobicContact CD2-CE2 3.78Å; L635-F679 HydrophobicContact CG-CE2 4.35Å; Y639-F679 HydrophobicContact CD2-CB 3.89Å; Y639-F679 HydrophobicContact CD2-CD1 4.13Å; Y639-F679 AromaticContact CD2-CG 3.91Å; Y639-F679 HydrophobicContact CD2-CG 3.91Å; Y639-F679 HydrophobicContact CE2-CB 3.68Å; Y639-F679 HydrophobicContact CE2-CD1 4.45Å; Y639-F679 HydrophobicContact CE2-CD2 4.08Å; Y639-F679 AromaticContact CE2-CG 3.8Å; Y639-F679 HydrophobicContact CE2-CG 3.8Å; K675-F679 PolarHBondContact O-N 3Å; L676-F679 WeakPolarHBondContact O-CB 3.33Å; L676-F679 PolarHBondContact O-N 3.31Å; L677-F679 VanDerWaalsContact C-N 3.26Å; L677-F679 PolarHBondContact O-N 2.84Å; F679-E681 VanDerWaalsContact C-N 3.28Å; F679-E681 PolarHBondContact O-N 3.48Å; F679-T682 PolarHBondContact O-N 3.44Å; F679-S683 WeakPolarHBondContact O-CB 3.3Å; F679-S683 PolarHBondContact O-N 3.31Å; F679-Y686 HydrophobicContact CE1-CD1 4.17Å; F679-Y686 HydrophobicContact CZ-CD1 4.22Å; F679-L691 HydrophobicContact CE1-CD1 4.19Å
680L86.1Confident85Confident1 Ų155 Ų551%0.00528%0.28CS..Hα-helixtrans-66-30.6-179-68174.2000113.2L676 L677 Y686 L691 A703 A706 I707L676-L680 HydrophobicContact CD1-CD1 4.12Å; L676-L680 HydrophobicContact CD1-CG 4.18Å; L676-L680 HydrophobicContact CG-CD1 4.08Å; L676-L680 VanDerWaalsContact O-CG 3.32Å; L676-L680 WeakPolarHBondContact O-CG 3.42Å; L676-L680 PolarHBondContact O-N 3.2Å; L677-L680 PolarHBondContact O-N 3.34Å; L680-Y686 HydrophobicContact CD2-CE1 4.05Å; L680-Y686 HydrophobicContact CD2-CE2 3.99Å; L680-Y686 PolarHBondContact O-OH 2.8Å; L680-L691 HydrophobicContact CD2-CD1 3.94Å; L680-A703 HydrophobicContact CD1-CB 3.68Å; L680-A706 HydrophobicContact CB-CB 4.22Å; L680-I707 HydrophobicContact CD1-CD1 4.28Å; L680-I707 HydrophobicContact CD1-CG1 4.13Å; L680-I707 HydrophobicContact CD2-CD1 3.99Å; L680-I707 HydrophobicContact CD2-CG1 3.82Å
681E83.6Confident85Confident135 Ų13551.3 Ų51.363%0.63126%0.26SS*.Hα-helixtrans-75.4-44.9174.3-72175.3175.300111.6L677 F679 R710L677-E681 WeakPolarHBondContact O-CB 3.17Å; L677-E681 WeakPolarHBondContact O-CG 3.45Å; L677-E681 PolarHBondContact O-N 3.13Å; F679-E681 VanDerWaalsContact C-N 3.28Å; F679-E681 PolarHBondContact O-N 3.48Å; E681-R710 PolarHBondContact O-NH2 3.49Å
682T83.2Confident84.9Confident97 Ų9748.9 Ų48.960%0.59525%0.245SC*.Hα-helixtrans-80.2-43.7-172.4-49.50000112.9S678 F679S678-T682 VanDerWaalsContact O-CB 3.23Å; S678-T682 WeakPolarHBondContact O-CB 3.36Å; S678-T682 PolarHBondContact O-N 2.87Å; S678-T682 PolarHBondContact O-OG1 3.28Å; F679-T682 PolarHBondContact O-N 3.44Å
683S83.1Confident84.9Confident7 Ų754.6 Ų54.65%0.04928%0.279CS..  trans-78.3135.5-177.1174.40000111.3H632 F679 Y685 Y686 R710H632-S683 PolarHBondContact CE1-OG 3.36Å; H632-S683 VanDerWaalsContact CE1-OG 3.31Å; H632-S683 WeakPolarHBondContact ND1-CB 3.4Å; H632-S683 PolarHBondContact ND1-OG 2.89Å; F679-S683 WeakPolarHBondContact O-CB 3.3Å; F679-S683 PolarHBondContact O-N 3.31Å; S683-Y685 PolarHBondContact OG-N 2.91Å; S683-Y686 WeakPolarHBondContact O-CE1 3.4Å; S683-R710 PolarHBondContact O-NH2 3.4Å
684I83.5Confident84.7Confident102 Ų10256.1 Ų56.152%0.52329%0.286SS..SBendtrans-105.9-7.9172.766.3170.3000113.6R710I684-R710 VanDerWaalsContact CA-NH1 3.32Å
685Y84.3Confident84.4Confident72 Ų7248.6 Ų48.628%0.28225%0.254SS..  trans-102.3-9.2-165.2-53.7-79.7000113.6E627 E629 H632 S683E627-Y685 HydrophobicContact CB-CD1 3.85Å; E627-Y685 HydrophobicContact CB-CD2 4.47Å; E627-Y685 HydrophobicContact CB-CE1 3.52Å; E627-Y685 HydrophobicContact CB-CE2 4.2Å; E627-Y685 HydrophobicContact CB-CG 4.32Å; E627-Y685 VanDerWaalsContact CD-OH 3.25Å; E627-Y685 HydrophobicContact CG-CE1 3.76Å; E627-Y685 HydrophobicContact CG-CE2 4.04Å; E627-Y685 VanDerWaalsContact CG-CZ 3.48Å; E627-Y685 WeakPolarHBondContact CG-OH 3.43Å; E627-Y685 WeakPolarHBondContact O-CB 3.21Å; E627-Y685 VanDerWaalsContact O-CD1 3.27Å; E627-Y685 WeakPolarHBondContact O-CD1 3.36Å; E627-Y685 PolarHBondContact OE1-OH 3.24Å; E629-Y685 WeakPolarHBondContact CA-O 3.44Å; E629-Y685 VanDerWaalsContact CB-O 3.28Å; E629-Y685 WeakPolarHBondContact CB-O 3.15Å; E629-Y685 WeakPolarHBondContact CG-O 3.45Å; H632-Y685 AromaticContact CE1-CD2 3.89Å; H632-Y685 AromaticContact NE2-CD2 3.67Å; S683-Y685 PolarHBondContact OG-N 2.91Å
686Y84.7Confident83.7Confident9 Ų947.4 Ų47.44%0.03525%0.251CS..SBendtrans-67149.517363-93.9000110.9D633 F679 L680 S683 P688 L691 I707 R710D633-Y686 WeakPolarHBondContact OD1-CA 3.42Å; F679-Y686 HydrophobicContact CE1-CD1 4.17Å; F679-Y686 HydrophobicContact CZ-CD1 4.22Å; L680-Y686 HydrophobicContact CD2-CE1 4.05Å; L680-Y686 HydrophobicContact CD2-CE2 3.99Å; L680-Y686 PolarHBondContact O-OH 2.8Å; S683-Y686 WeakPolarHBondContact O-CE1 3.4Å; Y686-P688 HydrophobicContact CD2-CB 4.3Å; Y686-P688 HydrophobicContact CE2-CB 3.97Å; Y686-P688 WeakPolarHBondContact O-CD 3.19Å; Y686-L691 HydrophobicContact CD2-CD1 3.49Å; Y686-L691 VanDerWaalsContact CD2-CD1 3.49Å; Y686-L691 HydrophobicContact CD2-CG 4.32Å; Y686-L691 HydrophobicContact CE2-CD1 4.14Å; Y686-L691 HydrophobicContact CG-CD1 3.76Å; Y686-I707 HydrophobicContact CE2-CG1 4.29Å; Y686-R710 VanDerWaalsContact OH-CG 3.28Å; Y686-R710 WeakPolarHBondContact OH-CG 3.38Å
687N85.7Confident82.7Confident53 Ų5351 Ų5128%0.28327%0.268SS..  trans-76.9107.1168.3-172.4-35.7000109.6D633 E689 I690 L691D633-N687 WeakPolarHBondContact OD1-CB 3.31Å; D633-N687 PolarHBondContact OD1-N 2.65Å; N687-E689 PolarHBondContact O-N 2.9Å; N687-E689 WeakPolarHBondContact OD1-CB 3.46Å; N687-E689 PolarHBondContact OD1-N 2.94Å; N687-I690 HydrophobicContact CB-CB 4.33Å; N687-I690 HydrophobicContact CB-CD1 3.83Å; N687-I690 HydrophobicContact CB-CG1 4.02Å; N687-I690 PolarHBondContact O-N 3.3Å; N687-I690 PolarHBondContact OD1-N 3.48Å; N687-L691 PolarHBondContact O-N 3.04Å
688P83.5Confident81.7Confident27 Ų2752.4 Ų52.418%0.17527%0.273CS..Hα-helixtrans-65.4-26.5-175.927.1-36.1000113.1Y686 L692 I707 R710 L711Y686-P688 HydrophobicContact CD2-CB 4.3Å; Y686-P688 HydrophobicContact CE2-CB 3.97Å; Y686-P688 WeakPolarHBondContact O-CD 3.19Å; P688-L692 WeakPolarHBondContact O-CB 3.15Å; P688-L692 PolarHBondContact O-N 3.07Å; P688-I707 HydrophobicContact CB-CG2 3.69Å; P688-I707 WeakPolarHBondContact O-CG2 3.44Å; P688-R710 HydrophobicContact CB-CB 4.36Å; P688-L711 HydrophobicContact CB-CD1 4.25Å; P688-L711 HydrophobicContact CB-CD2 3.92Å; P688-L711 HydrophobicContact CB-CG 3.76Å; P688-L711 HydrophobicContact CG-CD2 3.42Å; P688-L711 VanDerWaalsContact CG-CD2 3.42Å; P688-L711 HydrophobicContact CG-CG 3.81Å
689E84.5Confident80.8Confident105 Ų10551.9 Ų51.949%0.49127%0.267SS..Hα-helixtrans-70.8-39.6-180-59.8-163.1150.700111.9N687 L692 V693 L711 R713N687-E689 PolarHBondContact O-N 2.9Å; N687-E689 WeakPolarHBondContact OD1-CB 3.46Å; N687-E689 PolarHBondContact OD1-N 2.94Å; E689-L692 PolarHBondContact O-N 3.43Å; E689-V693 WeakPolarHBondContact O-CG2 3.32Å; E689-V693 PolarHBondContact O-N 3.41Å; E689-L711 HydrophobicContact CG-CD2 3.81Å; E689-R713 IonicContact OE1-NH2 2.69Å
690I83.8Confident80.1Confident65 Ų6552.4 Ų52.433%0.33327%0.27SS..Hα-helixtrans-65-51179-61.6178.2000109.9N687 L692 V693 Q694N687-I690 HydrophobicContact CB-CB 4.33Å; N687-I690 HydrophobicContact CB-CD1 3.83Å; N687-I690 HydrophobicContact CB-CG1 4.02Å; N687-I690 PolarHBondContact O-N 3.3Å; N687-I690 PolarHBondContact OD1-N 3.48Å; I690-L692 VanDerWaalsContact C-N 3.31Å; I690-L692 PolarHBondContact O-N 3.3Å; I690-V693 PolarHBondContact O-N 3.35Å; I690-Q694 PolarHBondContact O-N 2.65Å
691L84.2Confident79.8Confident0 Ų054.2 Ų54.20%028%0.278CS..Hα-helixtrans-64.3-35.5179.9-64.5-171.4000112.2E637 I640 F679 L680 Y686 N687 V693 Q694 L695 I707E637-L691 HydrophobicContact CG-CD2 4.17Å; I640-L691 HydrophobicContact CD1-CB 4.04Å; I640-L691 HydrophobicContact CD1-CD2 3.9Å; I640-L691 HydrophobicContact CD1-CG 4.46Å; F679-L691 HydrophobicContact CE1-CD1 4.19Å; L680-L691 HydrophobicContact CD2-CD1 3.94Å; Y686-L691 HydrophobicContact CD2-CD1 3.49Å; Y686-L691 VanDerWaalsContact CD2-CD1 3.49Å; Y686-L691 HydrophobicContact CD2-CG 4.32Å; Y686-L691 HydrophobicContact CE2-CD1 4.14Å; Y686-L691 HydrophobicContact CG-CD1 3.76Å; N687-L691 PolarHBondContact O-N 3.04Å; L691-V693 VanDerWaalsContact C-N 3.33Å; L691-V693 PolarHBondContact O-N 3.46Å; L691-Q694 PolarHBondContact O-N 3.34Å; L691-Q694 VanDerWaalsContact O-N 3.14Å; L691-L695 PolarHBondContact O-N 2.86Å; L691-I707 HydrophobicContact CB-CD1 3.77Å
692L83Confident79.8Confident21 Ų2151.5 Ų51.511%0.1127%0.266CS..Hα-helixtrans-61.7-40.2178-174.666.1000112.7P688 E689 I690 Q694 L695 I707 F708 L711P688-L692 WeakPolarHBondContact O-CB 3.15Å; P688-L692 PolarHBondContact O-N 3.07Å; E689-L692 PolarHBondContact O-N 3.43Å; I690-L692 VanDerWaalsContact C-N 3.31Å; I690-L692 PolarHBondContact O-N 3.3Å; L692-Q694 PolarHBondContact O-N 3.09Å; L692-L695 PolarHBondContact O-N 3.16Å; L692-I707 HydrophobicContact CB-CG2 3.95Å; L692-I707 HydrophobicContact CD1-CG2 4.22Å; L692-F708 HydrophobicContact CD1-CD1 4.32Å; L692-F708 HydrophobicContact CD1-CD2 4.5Å; L692-F708 HydrophobicContact CD1-CE1 3.84Å; L692-F708 HydrophobicContact CD1-CE2 4.03Å; L692-F708 HydrophobicContact CD1-CZ 3.69Å; L692-F708 HydrophobicContact CD2-CD1 4.03Å; L692-F708 HydrophobicContact CD2-CE1 3.34Å; L692-F708 HydrophobicContact CD2-CZ 3.88Å; L692-F708 HydrophobicContact CG-CE1 4.22Å; L692-F708 HydrophobicContact CG-CZ 4.35Å; L692-L711 HydrophobicContact CD2-CD1 4.11Å
693V84.4Confident79.8Confident122 Ų12247 Ų4774%0.73924%0.238SC*.Hα-helixtrans-65.2-32.1177.9171.80000110.8E689 I690 L691E689-V693 WeakPolarHBondContact O-CG2 3.32Å; E689-V693 PolarHBondContact O-N 3.41Å; I690-V693 PolarHBondContact O-N 3.35Å; L691-V693 VanDerWaalsContact C-N 3.33Å; L691-V693 PolarHBondContact O-N 3.46Å
694Q79.5Confident79.9Confident52 Ų5247.4 Ų47.424%0.24324%0.239CC..Hα-helixtrans-79.4-29.9179.7-63.1-169.24.200113E637 I640 K644 I690 L691 L692E637-Q694 PolarHBondContact OE1-NE2 3.41Å; I640-Q694 HydrophobicContact CD1-CB 4.17Å; I640-Q694 HydrophobicContact CG2-CB 4.13Å; K644-Q694 WeakPolarHBondContact CE-O 3.29Å; K644-Q694 PolarHBondContact NZ-O 3.44Å; I690-Q694 PolarHBondContact O-N 2.65Å; L691-Q694 PolarHBondContact O-N 3.34Å; L691-Q694 VanDerWaalsContact O-N 3.14Å; L692-Q694 PolarHBondContact O-N 3.09Å
695L78.9Confident80Confident1 Ų142.6 Ų42.61%0.00521%0.214CC..SBendtrans-63.1129.1-179.4-77176.5000112.1I640 L676 L691 L692 H697 M700 A703 R704 I707I640-L695 HydrophobicContact CD1-CD2 3.92Å; I640-L695 HydrophobicContact CD1-CG 4Å; I640-L695 HydrophobicContact CG1-CD2 3.78Å; I640-L695 HydrophobicContact CG1-CG 4.42Å; I640-L695 HydrophobicContact CG2-CD2 4.19Å; L676-L695 HydrophobicContact CD2-CD2 4.27Å; L691-L695 PolarHBondContact O-N 2.86Å; L692-L695 PolarHBondContact O-N 3.16Å; L695-H697 PolarHBondContact O-N 3.47Å; L695-M700 HydrophobicContact CD2-SD 3.81Å; L695-A703 HydrophobicContact CD1-CB 4.11Å; L695-A703 HydrophobicContact CD2-CB 4.34Å; L695-R704 HydrophobicContact CB-CG 4.13Å; L695-R704 HydrophobicContact CD1-CB 4.46Å; L695-R704 HydrophobicContact CD1-CG 3.68Å; L695-R704 PolarHBondContact O-NH1 2.87Å; L695-I707 HydrophobicContact CD1-CD1 3.45Å; L695-I707 VanDerWaalsContact CD1-CD1 3.45Å; L695-I707 HydrophobicContact CD1-CG1 4.49Å; L695-I707 HydrophobicContact CG-CD1 4.35Å
696P72.7Confident80Confident31 Ų3140.2 Ų40.220%0.20121%0.209CC..  trans-54.6137168.5-2233.7000110.2K644 F698 V699 M700K644-P696 HydrophobicContact CD-CG 4.31Å; K644-P696 HydrophobicContact CG-CG 3.71Å; P696-F698 VanDerWaalsContact C-N 3.34Å; P696-V699 HydrophobicContact CB-CB 4.26Å; P696-V699 HydrophobicContact CB-CG2 3.83Å; P696-M700 HydrophobicContact CG-CE 4.28Å
697H68.1Low80Confident77 Ų7739.8 Ų39.836%0.35621%0.207SC..THydrogen-bonded Turntrans-76.5-24.2-177.4-67.286.6000113.5L695 R704 Y770L695-H697 PolarHBondContact O-N 3.47Å; H697-R704 PolarHBondContact CD2-NH2 3.31Å; H697-Y770 HydrophobicContact CB-CE2 3.89Å; H697-Y770 WeakPolarHBondContact CB-OH 3.12Å; H697-Y770 VanDerWaalsContact CG-OH 3.31Å
698F63.7Low80.1Confident78 Ų7837.5 Ų37.534%0.34220%0.195SC..THydrogen-bonded Turntrans-90-2-175.5-58.4-78.5000113.6P655 P696 Y770P655-F698 HydrophobicContact CB-CB 4.37Å; P655-F698 HydrophobicContact CB-CD1 4.11Å; P655-F698 HydrophobicContact CB-CD2 3.89Å; P655-F698 HydrophobicContact CB-CE1 4.3Å; P655-F698 HydrophobicContact CB-CE2 4.12Å; P655-F698 HydrophobicContact CB-CG 3.87Å; P655-F698 HydrophobicContact CB-CZ 4.3Å; P696-F698 VanDerWaalsContact C-N 3.34Å; F698-Y770 HydrophobicContact CD1-CD1 4.29Å; F698-Y770 HydrophobicContact CD1-CD2 4.33Å; F698-Y770 HydrophobicContact CD1-CE1 4.16Å; F698-Y770 HydrophobicContact CD1-CE2 4.15Å; F698-Y770 HydrophobicContact CD1-CG 4.37Å; F698-Y770 AromaticContact CE1-CD1 3.26Å; F698-Y770 HydrophobicContact CE1-CD1 3.26Å; F698-Y770 HydrophobicContact CE1-CD2 4.03Å; F698-Y770 AromaticContact CE1-CE1 3.15Å; F698-Y770 HydrophobicContact CE1-CE1 3.15Å; F698-Y770 AromaticContact CE1-CE2 3.91Å; F698-Y770 HydrophobicContact CE1-CE2 3.91Å; F698-Y770 AromaticContact CE1-CG 3.71Å; F698-Y770 HydrophobicContact CE1-CG 3.71Å; F698-Y770 AromaticContact CE1-CZ 3.46Å; F698-Y770 VanDerWaalsContact CE1-CZ 3.46Å; F698-Y770 HydrophobicContact CE2-CE1 4Å; F698-Y770 AromaticContact CZ-CD1 3.61Å; F698-Y770 HydrophobicContact CZ-CD1 3.61Å; F698-Y770 AromaticContact CZ-CE1 3.06Å; F698-Y770 HydrophobicContact CZ-CE1 3.06Å; F698-Y770 HydrophobicContact CZ-CE2 4.36Å; F698-Y770 HydrophobicContact CZ-CG 4.45Å; F698-Y770 AromaticContact CZ-CZ 3.47Å; F698-Y770 VanDerWaalsContact CZ-CZ 3.47Å
699V67.6Low80.1Confident35 Ų3536.6 Ų36.621%0.21219%0.191CC..SBendtrans-146.2155.5-166.7-140.50000108.9Y647 P696Y647-V699 HydrophobicContact CD1-CG1 3.74Å; Y647-V699 HydrophobicContact CD2-CG1 4.05Å; Y647-V699 HydrophobicContact CE1-CG1 3.21Å; Y647-V699 HydrophobicContact CE2-CG1 3.58Å; Y647-V699 HydrophobicContact CG-CG1 4.14Å; Y647-V699 WeakPolarHBondContact OH-CG1 3.25Å; P696-V699 HydrophobicContact CB-CB 4.26Å; P696-V699 HydrophobicContact CB-CG2 3.83Å
700M74.3Confident80.1Confident10 Ų1036.2 Ų36.25%0.04919%0.185CC..  trans60.551.9177.3-44.7175.6-153.100113.7V643 Y647 L676 L695 P696 E702 A703 R704V643-M700 HydrophobicContact CB-CE 3.66Å; V643-M700 HydrophobicContact CB-SD 4.26Å; V643-M700 HydrophobicContact CG1-CE 3.16Å; V643-M700 HydrophobicContact CG1-SD 3.79Å; Y647-M700 HydrophobicContact CD2-CE 3.69Å; Y647-M700 HydrophobicContact CE2-CE 3.85Å; Y647-M700 HydrophobicContact CE2-CG 4.25Å; L676-M700 HydrophobicContact CD2-SD 3.89Å; L695-M700 HydrophobicContact CD2-SD 3.81Å; P696-M700 HydrophobicContact CG-CE 4.28Å; M700-E702 PolarHBondContact O-N 3.11Å; M700-A703 HydrophobicContact CB-CB 3.94Å; M700-A703 PolarHBondContact O-N 3.35Å; M700-R704 PolarHBondContact O-N 2.81Å
701H80.2Confident80.2Confident40 Ų4034.9 Ų34.919%0.18518%0.178CC..Hα-helixtrans-60.9-35.8180-65.8-50.5000112.3R704 A705 I720 L725H701-R704 PolarHBondContact O-N 3.09Å; H701-A705 WeakPolarHBondContact O-CB 3.38Å; H701-A705 PolarHBondContact O-N 3.4Å; H701-I720 HydrophobicContact CB-CG2 3.83Å; H701-L725 HydrophobicContact CB-CD1 4.24Å; H701-L725 HydrophobicContact CB-CD2 3.93Å; H701-L725 HydrophobicContact CB-CG 4.11Å
702E82.6Confident80.1Confident78 Ų7840.2 Ų40.236%0.36420%0.201SC..Hα-helixtrans-63-44.9175.8-59.887.2166.800111.7L677 M700 R704 A705 A706 L725L677-E702 HydrophobicContact CD1-CB 4.32Å; L677-E702 HydrophobicContact CD2-CB 3.81Å; M700-E702 PolarHBondContact O-N 3.11Å; E702-R704 VanDerWaalsContact C-N 3.34Å; E702-R704 PolarHBondContact O-N 3.42Å; E702-A705 WeakPolarHBondContact O-CB 3.48Å; E702-A705 PolarHBondContact O-N 2.88Å; E702-A706 PolarHBondContact O-N 3.45Å; E702-L725 HydrophobicContact CG-CD1 4.04Å
703A82.9Confident80.3Confident3 Ų344 Ų443%0.02521%0.214CC..Hα-helixtrans-64.1-40.8177.100000111.3L676 L677 L680 L695 M700 A706 I707L676-A703 HydrophobicContact CD2-CB 4.29Å; L677-A703 HydrophobicContact CD2-CB 4.04Å; L680-A703 HydrophobicContact CD1-CB 3.68Å; L695-A703 HydrophobicContact CD1-CB 4.11Å; L695-A703 HydrophobicContact CD2-CB 4.34Å; M700-A703 HydrophobicContact CB-CB 3.94Å; M700-A703 PolarHBondContact O-N 3.35Å; A703-A706 PolarHBondContact O-N 3.32Å; A703-I707 WeakPolarHBondContact O-CG1 3.46Å; A703-I707 PolarHBondContact O-N 3.42Å; A703-I707 VanDerWaalsContact O-N 3.1Å
704R85.2Confident80.4Confident15 Ų1538.5 Ų38.56%0.05718%0.18CC..Hα-helixtrans-63.3-42.3173.6-68-17868.381.91.6111.5L695 H697 M700 H701 E702 A706 I707 F708 I720L695-R704 HydrophobicContact CB-CG 4.13Å; L695-R704 HydrophobicContact CD1-CB 4.46Å; L695-R704 HydrophobicContact CD1-CG 3.68Å; L695-R704 PolarHBondContact O-NH1 2.87Å; H697-R704 PolarHBondContact CD2-NH2 3.31Å; M700-R704 PolarHBondContact O-N 2.81Å; H701-R704 PolarHBondContact O-N 3.09Å; E702-R704 VanDerWaalsContact C-N 3.34Å; E702-R704 PolarHBondContact O-N 3.42Å; R704-A706 VanDerWaalsContact C-N 3.35Å; R704-I707 PolarHBondContact O-N 2.94Å; R704-F708 HydrophobicContact CB-CD2 4.35Å; R704-F708 HydrophobicContact CB-CE2 4.27Å; R704-F708 WeakPolarHBondContact O-CB 3.06Å; R704-F708 WeakPolarHBondContact O-CD2 3.31Å; R704-F708 WeakPolarHBondContact O-CG 3.23Å; R704-F708 PolarHBondContact O-N 2.97Å; R704-I720 HydrophobicContact CB-CD1 4.1Å
705A85.2Confident80.7Confident0 Ų038.8 Ų38.80%018%0.184CC..Hα-helixtrans-62.1-41.7176.800000111.7H701 E702 F708 G709 V717 I720 Y721H701-A705 WeakPolarHBondContact O-CB 3.38Å; H701-A705 PolarHBondContact O-N 3.4Å; E702-A705 WeakPolarHBondContact O-CB 3.48Å; E702-A705 PolarHBondContact O-N 2.88Å; A705-F708 PolarHBondContact O-N 3.46Å; A705-G709 PolarHBondContact O-N 3.28Å; A705-V717 HydrophobicContact CB-CG1 4.28Å; A705-V717 WeakPolarHBondContact O-CG2 3.2Å; A705-I720 HydrophobicContact CB-CB 4.38Å; A705-I720 HydrophobicContact CB-CD1 4.17Å; A705-I720 HydrophobicContact CB-CG2 4.05Å; A705-Y721 HydrophobicContact CB-CE1 4.38Å; A705-Y721 HydrophobicContact CB-CE2 3.97Å
706A85.8Confident81Confident22 Ų2240.3 Ų40.318%0.18219%0.191CC..Hα-helixtrans-59.7-47.5175.100000111.9L680 E702 A703 R704 G709 R710L680-A706 HydrophobicContact CB-CB 4.22Å; E702-A706 PolarHBondContact O-N 3.45Å; A703-A706 PolarHBondContact O-N 3.32Å; R704-A706 VanDerWaalsContact C-N 3.35Å; A706-G709 WeakPolarHBondContact O-CA 3.31Å; A706-G709 PolarHBondContact O-N 2.93Å; A706-R710 PolarHBondContact O-N 3.07Å; A706-R710 VanDerWaalsContact O-N 3.1Å
707I85.1Confident81.7Confident0 Ų038.9 Ų38.90%018%0.181CC..Hα-helixtrans-66.4-45178.9-65.3179.9000112.1L680 Y686 P688 L691 L692 L695 A703 R704 G709 R710 L711L680-I707 HydrophobicContact CD1-CD1 4.28Å; L680-I707 HydrophobicContact CD1-CG1 4.13Å; L680-I707 HydrophobicContact CD2-CD1 3.99Å; L680-I707 HydrophobicContact CD2-CG1 3.82Å; Y686-I707 HydrophobicContact CE2-CG1 4.29Å; P688-I707 HydrophobicContact CB-CG2 3.69Å; P688-I707 WeakPolarHBondContact O-CG2 3.44Å; L691-I707 HydrophobicContact CB-CD1 3.77Å; L692-I707 HydrophobicContact CB-CG2 3.95Å; L692-I707 HydrophobicContact CD1-CG2 4.22Å; L695-I707 HydrophobicContact CD1-CD1 3.45Å; L695-I707 VanDerWaalsContact CD1-CD1 3.45Å; L695-I707 HydrophobicContact CD1-CG1 4.49Å; L695-I707 HydrophobicContact CG-CD1 4.35Å; A703-I707 WeakPolarHBondContact O-CG1 3.46Å; A703-I707 PolarHBondContact O-N 3.42Å; A703-I707 VanDerWaalsContact O-N 3.1Å; R704-I707 PolarHBondContact O-N 2.94Å; I707-G709 PolarHBondContact O-N 3.38Å; I707-R710 WeakPolarHBondContact O-CB 3.36Å; I707-R710 PolarHBondContact O-N 2.79Å; I707-R710 VanDerWaalsContact O-N 3.12Å; I707-L711 HydrophobicContact CG2-CD1 4.3Å; I707-L711 PolarHBondContact O-N 3Å
708F86.1Confident82.5Confident5 Ų535.2 Ų35.22%0.02216%0.164CC..Hα-helixtrans-61.6-32174.6-75.5-50.7000112L692 R704 A705 L711 K712 R713 Q716 V717 I720L692-F708 HydrophobicContact CD1-CD1 4.32Å; L692-F708 HydrophobicContact CD1-CD2 4.5Å; L692-F708 HydrophobicContact CD1-CE1 3.84Å; L692-F708 HydrophobicContact CD1-CE2 4.03Å; L692-F708 HydrophobicContact CD1-CZ 3.69Å; L692-F708 HydrophobicContact CD2-CD1 4.03Å; L692-F708 HydrophobicContact CD2-CE1 3.34Å; L692-F708 HydrophobicContact CD2-CZ 3.88Å; L692-F708 HydrophobicContact CG-CE1 4.22Å; L692-F708 HydrophobicContact CG-CZ 4.35Å; R704-F708 HydrophobicContact CB-CD2 4.35Å; R704-F708 HydrophobicContact CB-CE2 4.27Å; R704-F708 WeakPolarHBondContact O-CB 3.06Å; R704-F708 WeakPolarHBondContact O-CD2 3.31Å; R704-F708 WeakPolarHBondContact O-CG 3.23Å; R704-F708 PolarHBondContact O-N 2.97Å; A705-F708 PolarHBondContact O-N 3.46Å; F708-L711 HydrophobicContact CD1-CD1 4.42Å; F708-L711 PolarHBondContact O-N 3.26Å; F708-K712 PolarHBondContact O-N 3.02Å; F708-R713 HydrophobicContact CB-CB 4.46Å; F708-R713 HydrophobicContact CD1-CB 4.26Å; F708-R713 PolarHBondContact O-N 3.17Å; F708-Q716 HydrophobicContact CB-CB 4.39Å; F708-Q716 HydrophobicContact CD1-CB 4.19Å; F708-Q716 HydrophobicContact CD2-CB 4.05Å; F708-Q716 HydrophobicContact CE1-CB 4.44Å; F708-Q716 HydrophobicContact CE2-CB 4.32Å; F708-Q716 HydrophobicContact CG-CB 3.99Å; F708-Q716 HydrophobicContact CZ-CB 4.49Å; F708-V717 HydrophobicContact CB-CG2 3.48Å; F708-V717 VanDerWaalsContact CB-CG2 3.48Å; F708-I720 HydrophobicContact CD2-CD1 3.58Å; F708-I720 HydrophobicContact CE2-CD1 3.85Å
709G84.7Confident83.6Confident9 Ų931.5 Ų31.59%0.09315%0.148CC..Hα-helixtrans-60.3-46.4172.500000112.1A705 A706 I707 L711 K712 V717 Y734A705-G709 PolarHBondContact O-N 3.28Å; A706-G709 WeakPolarHBondContact O-CA 3.31Å; A706-G709 PolarHBondContact O-N 2.93Å; I707-G709 PolarHBondContact O-N 3.38Å; G709-L711 VanDerWaalsContact C-N 3.33Å; G709-L711 PolarHBondContact O-N 3.08Å; G709-K712 PolarHBondContact O-N 3.39Å; G709-K712 VanDerWaalsContact O-N 3.14Å; G709-V717 VanDerWaalsContact N-CG2 3.29Å; G709-Y734 WeakPolarHBondContact CA-OH 3.34Å
710R84.1Confident84.3Confident96 Ų9629.9 Ų29.936%0.36214%0.138SC..Hα-helixtrans-62.7-36.7174.3-65.8-53-168.6123.1-2.5113.4E681 S683 I684 Y686 P688 A706 I707 K712E681-R710 PolarHBondContact O-NH2 3.49Å; S683-R710 PolarHBondContact O-NH2 3.4Å; I684-R710 VanDerWaalsContact CA-NH1 3.32Å; Y686-R710 VanDerWaalsContact OH-CG 3.28Å; Y686-R710 WeakPolarHBondContact OH-CG 3.38Å; P688-R710 HydrophobicContact CB-CB 4.36Å; A706-R710 PolarHBondContact O-N 3.07Å; A706-R710 VanDerWaalsContact O-N 3.1Å; I707-R710 WeakPolarHBondContact O-CB 3.36Å; I707-R710 PolarHBondContact O-N 2.79Å; I707-R710 VanDerWaalsContact O-N 3.12Å; R710-K712 PolarHBondContact O-N 3.25Å
711L85.3Confident84.8Confident37 Ų3731 Ų3119%0.19414%0.142CC..THydrogen-bonded Turntrans-73.33.2176.3-72.1169.7000114P688 E689 L692 I707 F708 G709 R713P688-L711 HydrophobicContact CB-CD1 4.25Å; P688-L711 HydrophobicContact CB-CD2 3.92Å; P688-L711 HydrophobicContact CB-CG 3.76Å; P688-L711 HydrophobicContact CG-CD2 3.42Å; P688-L711 VanDerWaalsContact CG-CD2 3.42Å; P688-L711 HydrophobicContact CG-CG 3.81Å; E689-L711 HydrophobicContact CG-CD2 3.81Å; L692-L711 HydrophobicContact CD2-CD1 4.11Å; I707-L711 HydrophobicContact CG2-CD1 4.3Å; I707-L711 PolarHBondContact O-N 3Å; F708-L711 HydrophobicContact CD1-CD1 4.42Å; F708-L711 PolarHBondContact O-N 3.26Å; G709-L711 VanDerWaalsContact C-N 3.33Å; G709-L711 PolarHBondContact O-N 3.08Å; L711-R713 HydrophobicContact CB-CB 4.44Å; L711-R713 HydrophobicContact CB-CG 3.9Å; L711-R713 PolarHBondContact O-N 3.38Å
712K83.6Confident85Confident112 Ų11229.4 Ų29.449%0.48714%0.135SC..THydrogen-bonded Turntrans53.224.3-171.3-59.9-170.5169.1-160.40113.2F708 G709 R710 H714 D743F708-K712 PolarHBondContact O-N 3.02Å; G709-K712 PolarHBondContact O-N 3.39Å; G709-K712 VanDerWaalsContact O-N 3.14Å; R710-K712 PolarHBondContact O-N 3.25Å; K712-H714 PolarHBondContact O-CD2 3.27Å; K712-H714 VanDerWaalsContact O-CD2 3.28Å; K712-H714 PolarHBondContact O-N 3.25Å; K712-D743 IonicContact NZ-OD2 3.24Å; K712-D743 PolarHBondContact NZ-OD2 2.84Å
713R85.6Confident85.1Confident101 Ų10125.9 Ų25.938%0.38112%0.119SC..  trans-87.660.7176.9-65.2-173.8-168.8176.54109.9E689 F708 L711 D715 Q716 V717E689-R713 IonicContact OE1-NH2 2.69Å; F708-R713 HydrophobicContact CB-CB 4.46Å; F708-R713 HydrophobicContact CD1-CB 4.26Å; F708-R713 PolarHBondContact O-N 3.17Å; L711-R713 HydrophobicContact CB-CB 4.44Å; L711-R713 HydrophobicContact CB-CG 3.9Å; L711-R713 PolarHBondContact O-N 3.38Å; R713-D715 PolarHBondContact O-N 3.37Å; R713-D715 VanDerWaalsContact O-N 3.16Å; R713-Q716 HydrophobicContact CB-CB 4.44Å; R713-Q716 WeakPolarHBondContact O-CB 3.48Å; R713-Q716 PolarHBondContact O-N 3.26Å; R713-V717 PolarHBondContact O-N 2.86Å
714H86.9Confident84.9Confident6 Ų627 Ų273%0.02812%0.124CC..Hα-helixtrans-55.2-36.8-171.3-55.9-59.8000113.5K712 Q716 V717 L718 Y734 L749K712-H714 PolarHBondContact O-CD2 3.27Å; K712-H714 VanDerWaalsContact O-CD2 3.28Å; K712-H714 PolarHBondContact O-N 3.25Å; H714-Q716 VanDerWaalsContact C-N 3.28Å; H714-Q716 PolarHBondContact O-N 2.78Å; H714-V717 WeakPolarHBondContact O-CB 3.41Å; H714-V717 PolarHBondContact O-N 3.39Å; H714-L718 WeakPolarHBondContact O-CG 3.44Å; H714-L718 PolarHBondContact O-N 3.35Å; H714-Y734 AromaticContact ND1-CE1 3.86Å; H714-Y734 AromaticContact ND1-CZ 3.72Å; H714-Y734 PolarHBondContact ND1-OH 3.38Å; H714-L749 HydrophobicContact CB-CD2 3.47Å; H714-L749 VanDerWaalsContact CB-CD2 3.47Å; H714-L749 VanDerWaalsContact CG-CD2 3.48Å
715D85.7Confident84.7Confident58 Ų5828.8 Ų28.831%0.3113%0.134SC..Hα-helixtrans-62.1-36.9179.7-60.5-11.6000112.1R713 A719 R752 F756 I765R713-D715 PolarHBondContact O-N 3.37Å; R713-D715 VanDerWaalsContact O-N 3.16Å; D715-A719 VanDerWaalsContact O-CB 3.24Å; D715-A719 WeakPolarHBondContact O-CB 2.96Å; D715-A719 PolarHBondContact O-N 3.19Å; D715-R752 VanDerWaalsContact OD1-CD 3.26Å; D715-R752 WeakPolarHBondContact OD1-CD 3.16Å; D715-R752 IonicContact OD1-CZ 2.76Å; D715-R752 IonicContact OD1-NE 3.11Å; D715-R752 IonicContact OD1-NH1 2.75Å; D715-R752 PolarHBondContact OD1-NH1 2.94Å; D715-R752 IonicContact OD2-NH1 3.43Å; D715-F756 HydrophobicContact CB-CZ 3.98Å; D715-F756 VanDerWaalsContact O-CE1 3.3Å; D715-F756 WeakPolarHBondContact O-CE1 3.29Å; D715-I765 HydrophobicContact CB-CG2 4.31Å
716Q86.1Confident84.4Confident34 Ų3435.1 Ų35.116%0.15916%0.159CC..Hα-helixtrans-72.6-38.9178.1-68.9172.1-19.700110.8F708 R713 H714 A719 I720 I765 L766F708-Q716 HydrophobicContact CB-CB 4.39Å; F708-Q716 HydrophobicContact CD1-CB 4.19Å; F708-Q716 HydrophobicContact CD2-CB 4.05Å; F708-Q716 HydrophobicContact CE1-CB 4.44Å; F708-Q716 HydrophobicContact CE2-CB 4.32Å; F708-Q716 HydrophobicContact CG-CB 3.99Å; F708-Q716 HydrophobicContact CZ-CB 4.49Å; R713-Q716 HydrophobicContact CB-CB 4.44Å; R713-Q716 WeakPolarHBondContact O-CB 3.48Å; R713-Q716 PolarHBondContact O-N 3.26Å; H714-Q716 VanDerWaalsContact C-N 3.28Å; H714-Q716 PolarHBondContact O-N 2.78Å; Q716-A719 PolarHBondContact O-N 2.77Å; Q716-I720 VanDerWaalsContact O-CG1 3.28Å; Q716-I720 WeakPolarHBondContact O-CG1 3.2Å; Q716-I720 PolarHBondContact O-N 3.1Å; Q716-I765 HydrophobicContact CG-CG2 3.99Å; Q716-I765 PolarHBondContact NE2-O 2.87Å; Q716-L766 HydrophobicContact CB-CD2 4.4Å
717V86.8Confident84.3Confident0 Ų037 Ų370%017%0.165CC..Hα-helixtrans-62-50.4175.2-178.70000111.1A705 F708 G709 R713 H714 A719 I720 Y721 Y734A705-V717 HydrophobicContact CB-CG1 4.28Å; A705-V717 WeakPolarHBondContact O-CG2 3.2Å; F708-V717 HydrophobicContact CB-CG2 3.48Å; F708-V717 VanDerWaalsContact CB-CG2 3.48Å; G709-V717 VanDerWaalsContact N-CG2 3.29Å; R713-V717 PolarHBondContact O-N 2.86Å; H714-V717 WeakPolarHBondContact O-CB 3.41Å; H714-V717 PolarHBondContact O-N 3.39Å; V717-A719 VanDerWaalsContact C-N 3.31Å; V717-A719 PolarHBondContact O-N 2.99Å; V717-I720 WeakPolarHBondContact O-CB 3.16Å; V717-I720 PolarHBondContact O-N 3.19Å; V717-I720 VanDerWaalsContact O-N 3.11Å; V717-Y721 HydrophobicContact CG1-CD2 3.61Å; V717-Y721 HydrophobicContact CG1-CE2 3.42Å; V717-Y721 VanDerWaalsContact CG1-CE2 3.42Å; V717-Y721 WeakPolarHBondContact O-CD2 3.22Å; V717-Y721 PolarHBondContact O-N 3.39Å; V717-Y734 HydrophobicContact CB-CD1 4.46Å; V717-Y734 HydrophobicContact CB-CE1 3.96Å; V717-Y734 HydrophobicContact CB-CE2 4.38Å; V717-Y734 HydrophobicContact CG1-CD1 3.77Å; V717-Y734 HydrophobicContact CG1-CD2 3.76Å; V717-Y734 HydrophobicContact CG1-CE1 3.69Å; V717-Y734 HydrophobicContact CG1-CE2 3.69Å; V717-Y734 HydrophobicContact CG1-CG 3.81Å; V717-Y734 HydrophobicContact CG2-CE1 4.41Å; V717-Y734 HydrophobicContact CG2-CE2 4.28Å
718L86Confident84.3Confident0 Ų037.8 Ų37.80%017%0.171CC..Hα-helixtrans-63.5-38.3178.5-67.3-177.7000111.3H714 I720 Y721 V722 A731 Y734 R752 L753 F756H714-L718 WeakPolarHBondContact O-CG 3.44Å; H714-L718 PolarHBondContact O-N 3.35Å; L718-I720 VanDerWaalsContact C-N 3.3Å; L718-I720 PolarHBondContact O-N 2.77Å; L718-Y721 PolarHBondContact O-N 2.72Å; L718-V722 WeakPolarHBondContact O-CB 3.22Å; L718-V722 VanDerWaalsContact O-CG2 3.25Å; L718-V722 WeakPolarHBondContact O-CG2 3.24Å; L718-V722 PolarHBondContact O-N 2.86Å; L718-A731 HydrophobicContact CD2-CB 4.48Å; L718-Y734 HydrophobicContact CD2-CD1 4.19Å; L718-R752 HydrophobicContact CD1-CB 4.09Å; L718-L753 HydrophobicContact CD1-CB 4.39Å; L718-L753 HydrophobicContact CD2-CD1 3.95Å; L718-F756 HydrophobicContact CB-CD1 3.65Å; L718-F756 HydrophobicContact CB-CE1 3.61Å; L718-F756 HydrophobicContact CB-CG 4.45Å; L718-F756 HydrophobicContact CB-CZ 4.38Å
719A85.5Confident84.3Confident0 Ų042.7 Ų42.70%019%0.194CC..Hα-helixtrans-62.5-38.117400000111.7D715 Q716 V717 N723 I724 F756 L766D715-A719 VanDerWaalsContact O-CB 3.24Å; D715-A719 WeakPolarHBondContact O-CB 2.96Å; D715-A719 PolarHBondContact O-N 3.19Å; Q716-A719 PolarHBondContact O-N 2.77Å; V717-A719 VanDerWaalsContact C-N 3.31Å; V717-A719 PolarHBondContact O-N 2.99Å; A719-N723 WeakPolarHBondContact O-CA 3.22Å; A719-N723 WeakPolarHBondContact O-CB 3.42Å; A719-N723 PolarHBondContact O-N 2.93Å; A719-I724 PolarHBondContact O-N 2.87Å; A719-F756 HydrophobicContact CB-CE1 4.15Å; A719-L766 HydrophobicContact CB-CD2 3.95Å; A719-L766 HydrophobicContact CB-CG 4.39Å
720I83.1Confident84.3Confident2 Ų244 Ų441%0.0120%0.201CC..Iπ-helixtrans-64.7-52.5175.2-69.1165000110.9H701 R704 A705 F708 Q716 V717 L718 I724 L725 L766H701-I720 HydrophobicContact CB-CG2 3.83Å; R704-I720 HydrophobicContact CB-CD1 4.1Å; A705-I720 HydrophobicContact CB-CB 4.38Å; A705-I720 HydrophobicContact CB-CD1 4.17Å; A705-I720 HydrophobicContact CB-CG2 4.05Å; F708-I720 HydrophobicContact CD2-CD1 3.58Å; F708-I720 HydrophobicContact CE2-CD1 3.85Å; Q716-I720 VanDerWaalsContact O-CG1 3.28Å; Q716-I720 WeakPolarHBondContact O-CG1 3.2Å; Q716-I720 PolarHBondContact O-N 3.1Å; V717-I720 WeakPolarHBondContact O-CB 3.16Å; V717-I720 PolarHBondContact O-N 3.19Å; V717-I720 VanDerWaalsContact O-N 3.11Å; L718-I720 VanDerWaalsContact C-N 3.3Å; L718-I720 PolarHBondContact O-N 2.77Å; I720-I724 HydrophobicContact CB-CD1 4.3Å; I720-I724 HydrophobicContact CG1-CD1 3.91Å; I720-I724 HydrophobicContact CG2-CD1 4.39Å; I720-I724 WeakPolarHBondContact O-CB 3.29Å; I720-I724 PolarHBondContact O-N 3.25Å; I720-L725 HydrophobicContact CG2-CD1 3.96Å; I720-L725 HydrophobicContact CG2-CG 4.23Å; I720-L725 PolarHBondContact O-N 3.18Å; I720-L766 HydrophobicContact CD1-CD2 4.33Å; I720-L766 HydrophobicContact CG1-CD2 3.72Å
721Y85.2Confident84.4Confident34 Ų3439.4 Ų39.413%0.13318%0.184CC..Iπ-helixtrans-66.8-42.3-177.4-72.3-57.1000112.9A705 V717 L718 L725 R726 D727 A731 Y734A705-Y721 HydrophobicContact CB-CE1 4.38Å; A705-Y721 HydrophobicContact CB-CE2 3.97Å; V717-Y721 HydrophobicContact CG1-CD2 3.61Å; V717-Y721 HydrophobicContact CG1-CE2 3.42Å; V717-Y721 VanDerWaalsContact CG1-CE2 3.42Å; V717-Y721 WeakPolarHBondContact O-CD2 3.22Å; V717-Y721 PolarHBondContact O-N 3.39Å; L718-Y721 PolarHBondContact O-N 2.72Å; Y721-L725 HydrophobicContact CD1-CD1 3.74Å; Y721-L725 HydrophobicContact CE1-CD1 3.96Å; Y721-R726 CarbonylContact O-C 3.57Å; Y721-R726 WeakPolarHBondContact O-CA 3.15Å; Y721-R726 PolarHBondContact O-N 3.5Å; Y721-D727 PolarHBondContact O-N 3.22Å; Y721-A731 HydrophobicContact CG-CB 4.49Å; Y721-Y734 HydrophobicContact CE2-CD2 4.47Å; Y721-Y734 HydrophobicContact CE2-CG 4.32Å
722V84.5Confident84.5Confident5 Ų538.6 Ų38.63%0.0318%0.178CC..Iπ-helixtrans-81-51.1-175.71790000111.9L718 A731 L753 Y757L718-V722 WeakPolarHBondContact O-CB 3.22Å; L718-V722 VanDerWaalsContact O-CG2 3.25Å; L718-V722 WeakPolarHBondContact O-CG2 3.24Å; L718-V722 PolarHBondContact O-N 2.86Å; V722-A731 HydrophobicContact CG2-CB 4.27Å; V722-L753 HydrophobicContact CG2-CD1 4.27Å; V722-Y757 HydrophobicContact CG1-CD1 4.02Å; V722-Y757 HydrophobicContact CG1-CE1 4.06Å; V722-Y757 HydrophobicContact CG2-CD1 4.4Å; V722-Y757 HydrophobicContact CG2-CE1 3.85Å
723N83.2Confident84.8Confident4 Ų436.8 Ų36.82%0.02117%0.174CC..Iπ-helixtrans-85.5-40.3-172.3-62.5-12.4000112.9A719 P761 N763A719-N723 WeakPolarHBondContact O-CA 3.22Å; A719-N723 WeakPolarHBondContact O-CB 3.42Å; A719-N723 PolarHBondContact O-N 2.93Å; N723-P761 PolarHBondContact ND2-O 3.45Å; N723-N763 WeakPolarHBondContact CB-OD1 3.28Å; N723-N763 PolarHBondContact ND2-OD1 2.88Å
724I78.9Confident84.8Confident26 Ų2632.9 Ų32.913%0.13316%0.16CC..Iπ-helixtrans-91.5-61.5-172.2-47.3177.8000111.1A719 I720 R726 L766 L773A719-I724 PolarHBondContact O-N 2.87Å; I720-I724 HydrophobicContact CB-CD1 4.3Å; I720-I724 HydrophobicContact CG1-CD1 3.91Å; I720-I724 HydrophobicContact CG2-CD1 4.39Å; I720-I724 WeakPolarHBondContact O-CB 3.29Å; I720-I724 PolarHBondContact O-N 3.25Å; I724-R726 VanDerWaalsContact C-N 3.35Å; I724-L766 HydrophobicContact CD1-CD1 3.51Å; I724-L766 HydrophobicContact CG1-CD1 4.17Å; I724-L773 HydrophobicContact CD1-CD2 4.26Å; I724-L773 HydrophobicContact CG1-CD2 4.13Å; I724-L773 HydrophobicContact CG2-CD2 4.35Å
725L80.5Confident84.8Confident53 Ų5332.6 Ų32.628%0.27716%0.158SC..Iπ-helixtrans-76.9-24.1-176-66.6175.5000112.4H701 E702 I720 Y721 D727H701-L725 HydrophobicContact CB-CD1 4.24Å; H701-L725 HydrophobicContact CB-CD2 3.93Å; H701-L725 HydrophobicContact CB-CG 4.11Å; E702-L725 HydrophobicContact CG-CD1 4.04Å; I720-L725 HydrophobicContact CG2-CD1 3.96Å; I720-L725 HydrophobicContact CG2-CG 4.23Å; I720-L725 PolarHBondContact O-N 3.18Å; Y721-L725 HydrophobicContact CD1-CD1 3.74Å; Y721-L725 HydrophobicContact CE1-CD1 3.96Å; L725-D727 HydrophobicContact CB-CB 4.3Å; L725-D727 PolarHBondContact O-N 2.59Å
726R80.4Confident84.8Confident134 Ų13432.8 Ų32.851%0.50616%0.164SC..  trans52.930.2-172.7-60.6-176.9173.1-170.5-4.6112.9Y721 I724Y721-R726 CarbonylContact O-C 3.57Å; Y721-R726 WeakPolarHBondContact O-CA 3.15Å; Y721-R726 PolarHBondContact O-N 3.5Å; I724-R726 VanDerWaalsContact C-N 3.35Å
727D83.9Confident84.8Confident60 Ų6038.1 Ų38.132%0.32119%0.193SC..  trans-97.793.1179-174-9.1000110.1Y721 L725 Q729 S730 A731Y721-D727 PolarHBondContact O-N 3.22Å; L725-D727 HydrophobicContact CB-CB 4.3Å; L725-D727 PolarHBondContact O-N 2.59Å; D727-Q729 VanDerWaalsContact C-N 3.26Å; D727-Q729 PolarHBondContact O-N 2.82Å; D727-Q729 PolarHBondContact OD1-N 2.82Å; D727-S730 VanDerWaalsContact CG-CB 3.49Å; D727-S730 VanDerWaalsContact CG-OG 3.23Å; D727-S730 PolarHBondContact OD1-N 2.73Å; D727-S730 VanDerWaalsContact OD2-CB 3.24Å; D727-S730 WeakPolarHBondContact OD2-CB 3.1Å; D727-S730 PolarHBondContact OD2-OG 3.01Å; D727-A731 PolarHBondContact O-N 3.29Å
728C83.7Confident84.6Confident18 Ų1840.7 Ų40.712%0.12221%0.206CC..Hα-helixtrans-67.3-28.9179.8-61.90000112.4R732 Y757 M779C728-R732 WeakPolarHBondContact O-CG 3.34Å; C728-R732 PolarHBondContact O-N 2.7Å; C728-R732 VanDerWaalsContact O-N 3.08Å; C728-Y757 WeakPolarHBondContact CA-OH 3.3Å; C728-Y757 WeakPolarHBondContact CB-OH 3.29Å; C728-Y757 PolarHBondContact O-OH 2.91Å; C728-M779 WeakPolarHBondContact SG-CE 3.4Å
729Q86.5Confident84.6Confident107 Ų10742.4 Ų42.450%0.521%0.213SC..Hα-helixtrans-73.6-45.1-177.9-171.661.137.800110.3D727 A731 R732 N733D727-Q729 VanDerWaalsContact C-N 3.26Å; D727-Q729 PolarHBondContact O-N 2.82Å; D727-Q729 PolarHBondContact OD1-N 2.82Å; Q729-A731 VanDerWaalsContact C-N 3.3Å; Q729-A731 PolarHBondContact O-N 2.9Å; Q729-R732 PolarHBondContact O-N 2.81Å; Q729-N733 PolarHBondContact NE2-OD1 3.02Å; Q729-N733 VanDerWaalsContact NE2-OD1 3.12Å; Q729-N733 WeakPolarHBondContact O-CB 3.38Å; Q729-N733 PolarHBondContact O-N 3Å; Q729-N733 PolarHBondContact O-OD1 3.47Å
730S84.8Confident84.4Confident36 Ų3647.4 Ų47.425%0.25224%0.236SC..Hα-helixtrans-63.3-36.9175.4-66.30000112.2D727 N733 Y734D727-S730 VanDerWaalsContact CG-CB 3.49Å; D727-S730 VanDerWaalsContact CG-OG 3.23Å; D727-S730 PolarHBondContact OD1-N 2.73Å; D727-S730 VanDerWaalsContact OD2-CB 3.24Å; D727-S730 WeakPolarHBondContact OD2-CB 3.1Å; D727-S730 PolarHBondContact OD2-OG 3.01Å; S730-N733 PolarHBondContact O-N 2.91Å; S730-Y734 WeakPolarHBondContact O-CB 3.37Å; S730-Y734 PolarHBondContact O-N 3.42Å
731A87.2Confident84.1Confident0 Ų054 Ų540%027%0.267CS..Hα-helixtrans-61.1-45.4172.800000112.4L718 Y721 V722 D727 Q729 Y734 C735 L753L718-A731 HydrophobicContact CD2-CB 4.48Å; Y721-A731 HydrophobicContact CG-CB 4.49Å; V722-A731 HydrophobicContact CG2-CB 4.27Å; D727-A731 PolarHBondContact O-N 3.29Å; Q729-A731 VanDerWaalsContact C-N 3.3Å; Q729-A731 PolarHBondContact O-N 2.9Å; A731-Y734 PolarHBondContact O-N 3.16Å; A731-C735 PolarHBondContact O-N 2.8Å; A731-C735 VanDerWaalsContact O-N 3.1Å; A731-C735 PolarHBondContact O-SG 3.04Å; A731-L753 HydrophobicContact CB-CD1 3.88Å
732R87.7Confident83.7Confident20 Ų2060.3 Ų60.38%0.07530%0.303CS..Hα-helixtrans-62.4-48.5175.6-73.6176.7-166.6-166.35.3111.6C728 Q729 Y734 C735 C736 L753 E785 E789C728-R732 WeakPolarHBondContact O-CG 3.34Å; C728-R732 PolarHBondContact O-N 2.7Å; C728-R732 VanDerWaalsContact O-N 3.08Å; Q729-R732 PolarHBondContact O-N 2.81Å; R732-Y734 VanDerWaalsContact C-N 3.27Å; R732-Y734 PolarHBondContact O-N 3.33Å; R732-C735 WeakPolarHBondContact O-CB 3.37Å; R732-C735 PolarHBondContact O-N 3.37Å; R732-C735 VanDerWaalsContact O-N 3.12Å; R732-C736 PolarHBondContact O-N 2.62Å; R732-C736 PolarHBondContact O-SG 2.71Å; R732-C736 VanDerWaalsContact O-SG 3.35Å; R732-L753 HydrophobicContact CG-CD2 4.24Å; R732-E785 IonicContact CZ-OE2 3.72Å; R732-E785 IonicContact NH1-OE2 3.89Å; R732-E785 PolarHBondContact NH1-OE2 3.02Å; R732-E785 IonicContact NH2-OE2 3.57Å; R732-E785 PolarHBondContact NH2-OE2 3.34Å; R732-E789 IonicContact NH1-OE2 2.8Å
733N88.1Confident83.5Confident75 Ų7561.3 Ų61.340%0.40131%0.308SS..Hα-helixtrans-58.4-41.7178.8-68.3-8.6000111Q729 S730 C736 L737Q729-N733 PolarHBondContact NE2-OD1 3.02Å; Q729-N733 VanDerWaalsContact NE2-OD1 3.12Å; Q729-N733 WeakPolarHBondContact O-CB 3.38Å; Q729-N733 PolarHBondContact O-N 3Å; Q729-N733 PolarHBondContact O-OD1 3.47Å; S730-N733 PolarHBondContact O-N 2.91Å; N733-C736 PolarHBondContact O-N 2.91Å; N733-L737 WeakPolarHBondContact O-CB 3.27Å; N733-L737 VanDerWaalsContact O-CG 3.29Å; N733-L737 WeakPolarHBondContact O-CG 3.02Å; N733-L737 PolarHBondContact O-N 3.41Å
734Y86.5Confident83.3Confident18 Ų1865.4 Ų65.47%0.07134%0.335CS..Hα-helixtrans-60-45.4175177.5-97.2000112.4G709 H714 V717 L718 Y721 S730 A731 R732 L737 N738 L749G709-Y734 WeakPolarHBondContact CA-OH 3.34Å; H714-Y734 AromaticContact ND1-CE1 3.86Å; H714-Y734 AromaticContact ND1-CZ 3.72Å; H714-Y734 PolarHBondContact ND1-OH 3.38Å; V717-Y734 HydrophobicContact CB-CD1 4.46Å; V717-Y734 HydrophobicContact CB-CE1 3.96Å; V717-Y734 HydrophobicContact CB-CE2 4.38Å; V717-Y734 HydrophobicContact CG1-CD1 3.77Å; V717-Y734 HydrophobicContact CG1-CD2 3.76Å; V717-Y734 HydrophobicContact CG1-CE1 3.69Å; V717-Y734 HydrophobicContact CG1-CE2 3.69Å; V717-Y734 HydrophobicContact CG1-CG 3.81Å; V717-Y734 HydrophobicContact CG2-CE1 4.41Å; V717-Y734 HydrophobicContact CG2-CE2 4.28Å; L718-Y734 HydrophobicContact CD2-CD1 4.19Å; Y721-Y734 HydrophobicContact CE2-CD2 4.47Å; Y721-Y734 HydrophobicContact CE2-CG 4.32Å; S730-Y734 WeakPolarHBondContact O-CB 3.37Å; S730-Y734 PolarHBondContact O-N 3.42Å; A731-Y734 PolarHBondContact O-N 3.16Å; R732-Y734 VanDerWaalsContact C-N 3.27Å; R732-Y734 PolarHBondContact O-N 3.33Å; Y734-L737 PolarHBondContact O-N 3.33Å; Y734-N738 WeakPolarHBondContact CD2-ND2 3.32Å; Y734-N738 WeakPolarHBondContact CE2-ND2 3.43Å; Y734-N738 PolarHBondContact O-N 2.66Å; Y734-N738 VanDerWaalsContact O-N 3.08Å; Y734-N738 PolarHBondContact O-ND2 2.81Å; Y734-L749 HydrophobicContact CE1-CD2 4.32Å
735C87Confident83.2Confident0 Ų066.3 Ų66.30%034%0.344CS..Hα-helixtrans-63.3-42.4175.2-70.10000112A731 R732 L737 N738 Y739 L749 F750 L753A731-C735 PolarHBondContact O-N 2.8Å; A731-C735 VanDerWaalsContact O-N 3.1Å; A731-C735 PolarHBondContact O-SG 3.04Å; R732-C735 WeakPolarHBondContact O-CB 3.37Å; R732-C735 PolarHBondContact O-N 3.37Å; R732-C735 VanDerWaalsContact O-N 3.12Å; C735-L737 VanDerWaalsContact C-N 3.32Å; C735-L737 PolarHBondContact O-N 3.4Å; C735-N738 PolarHBondContact O-N 2.9Å; C735-Y739 VanDerWaalsContact O-CB 3.24Å; C735-Y739 WeakPolarHBondContact O-CB 3.25Å; C735-Y739 PolarHBondContact O-N 3.01Å; C735-Y739 VanDerWaalsContact O-N 3.08Å; C735-L749 HydrophobicContact CB-CB 4.49Å; C735-F750 HydrophobicContact CB-CD1 3.97Å; C735-F750 HydrophobicContact CB-CE1 3.64Å; C735-F750 HydrophobicContact CB-CZ 4.08Å; C735-L753 HydrophobicContact CB-CD2 4.45Å
736C86.5Confident83.1Confident63 Ų6363.9 Ų63.943%0.42633%0.331SS..Hα-helixtrans-61.6-38.8176.9-69.50000112.9R732 N733R732-C736 PolarHBondContact O-N 2.62Å; R732-C736 PolarHBondContact O-SG 2.71Å; R732-C736 VanDerWaalsContact O-SG 3.35Å; N733-C736 PolarHBondContact O-N 2.91Å
737L84.8Confident83.1Confident146 Ų14659.1 Ų59.176%0.76432%0.318SS*.Hα-helixtrans-76.5-33.3-178.5-71.1170.7000113.4N733 Y734 C735N733-L737 WeakPolarHBondContact O-CB 3.27Å; N733-L737 VanDerWaalsContact O-CG 3.29Å; N733-L737 WeakPolarHBondContact O-CG 3.02Å; N733-L737 PolarHBondContact O-N 3.41Å; Y734-L737 PolarHBondContact O-N 3.33Å; C735-L737 VanDerWaalsContact C-N 3.32Å; C735-L737 PolarHBondContact O-N 3.4Å
738N83.8Confident83.1Confident54 Ų5459.9 Ų59.929%0.28932%0.32SS..Hα-helixtrans-105.85.5-173.5-63.5-78.4000114.2Y734 C735 E740 A746 L749Y734-N738 WeakPolarHBondContact CD2-ND2 3.32Å; Y734-N738 WeakPolarHBondContact CE2-ND2 3.43Å; Y734-N738 PolarHBondContact O-N 2.66Å; Y734-N738 VanDerWaalsContact O-N 3.08Å; Y734-N738 PolarHBondContact O-ND2 2.81Å; C735-N738 PolarHBondContact O-N 2.9Å; N738-E740 PolarHBondContact O-N 2.8Å; N738-A746 WeakPolarHBondContact O-CB 3.12Å; N738-L749 VanDerWaalsContact C-CD1 3.49Å; N738-L749 HydrophobicContact CB-CD1 3.81Å; N738-L749 VanDerWaalsContact O-CD1 3.22Å; N738-L749 WeakPolarHBondContact O-CD1 3.11Å
739Y85.3Confident83.2Confident35 Ų3559 Ų5914%0.13731%0.314CS..  trans-74.2115.4178.2177.9-92.8000111.3C735 E741 F750 R793C735-Y739 VanDerWaalsContact O-CB 3.24Å; C735-Y739 WeakPolarHBondContact O-CB 3.25Å; C735-Y739 PolarHBondContact O-N 3.01Å; C735-Y739 VanDerWaalsContact O-N 3.08Å; Y739-E741 HydrophobicContact CE1-CG 3.65Å; Y739-F750 HydrophobicContact CD1-CE2 4.33Å; Y739-F750 AromaticContact CD2-CD2 3.42Å; Y739-F750 HydrophobicContact CD2-CD2 3.42Å; Y739-F750 VanDerWaalsContact CD2-CD2 3.42Å; Y739-F750 AromaticContact CD2-CE2 3.46Å; Y739-F750 HydrophobicContact CD2-CE2 3.46Å; Y739-F750 VanDerWaalsContact CD2-CE2 3.46Å; Y739-F750 AromaticContact CE2-CD2 3.79Å; Y739-F750 HydrophobicContact CE2-CD2 3.79Å; Y739-F750 HydrophobicContact CE2-CE2 4.12Å; Y739-F750 HydrophobicContact CG-CD2 4.04Å; Y739-F750 AromaticContact CG-CE2 3.57Å; Y739-F750 HydrophobicContact CG-CE2 3.57Å; Y739-R793 HydrophobicContact CD1-CG 4.49Å; Y739-R793 VanDerWaalsContact CD1-NH1 3.29Å; Y739-R793 HydrophobicContact CE1-CB 4.1Å; Y739-R793 HydrophobicContact CE1-CG 3.81Å; Y739-R793 HydrophobicContact CE2-CB 3.85Å; Y739-R793 HydrophobicContact CE2-CG 4.47Å; Y739-R793 VanDerWaalsContact CE2-O 3.24Å; Y739-R793 WeakPolarHBondContact CE2-O 3.36Å; Y739-R793 WeakPolarHBondContact OH-CA 3.32Å; Y739-R793 PolarHBondContact OH-O 3.14Å
740E81.3Confident83.2Confident105 Ų10554 Ų5449%0.49129%0.291SS..  trans-123.4129.4173.3-66.2178.3175.900109.2N738 D742 D743 A746 S747N738-E740 PolarHBondContact O-N 2.8Å; E740-D742 VanDerWaalsContact C-N 3.31Å; E740-D742 PolarHBondContact O-N 2.96Å; E740-D743 HydrophobicContact CB-CB 4.24Å; E740-A746 HydrophobicContact CB-CB 3.95Å; E740-S747 WeakPolarHBondContact O-CA 3.37Å; E740-S747 PolarHBondContact O-N 3.32Å; E740-S747 VanDerWaalsContact O-N 3.11Å
741E76.1Confident83.2Confident142 Ų14252.5 Ų52.566%0.66428%0.28SS*.SBendtrans-69.7-30.2-179.5-67.6-177.3179.400112.3Y739Y739-E741 HydrophobicContact CE1-CG 3.65Å
742D77.4Confident83.1Confident165 Ų16554.5 Ų54.588%0.88229%0.288SS*.SBendtrans-83.2-24.1-175.6-64.9-42.1000113.6E740E740-D742 VanDerWaalsContact C-N 3.31Å; E740-D742 PolarHBondContact O-N 2.96Å
743D79.4Confident83Confident26 Ų2653.6 Ų53.614%0.13928%0.284CS..SBendtrans-87.6121.1179.4-176.6-21.7000110.2K712 E740 S745 A746 S747K712-D743 IonicContact NZ-OD2 3.24Å; K712-D743 PolarHBondContact NZ-OD2 2.84Å; E740-D743 HydrophobicContact CB-CB 4.24Å; D743-S745 PolarHBondContact O-N 2.57Å; D743-S745 VanDerWaalsContact O-N 3.13Å; D743-S745 PolarHBondContact OD1-N 3.19Å; D743-A746 HydrophobicContact CB-CB 3.78Å; D743-A746 PolarHBondContact O-N 3.46Å; D743-S747 VanDerWaalsContact O-CB 3.27Å; D743-S747 WeakPolarHBondContact O-CB 3.32Å; D743-S747 PolarHBondContact O-N 2.86Å; D743-S747 PolarHBondContact O-OG 2.81Å
744P79.5Confident82.9Confident91 Ų9150 Ų5059%0.59127%0.265SS*.THydrogen-bonded Turntrans-60.7-24.8-178.124.6-35.4000114S747 Q748P744-S747 PolarHBondContact O-OG 3.02Å; P744-Q748 PolarHBondContact O-NE2 3.44Å
745S76.7Confident82.9Confident45 Ų4551.3 Ų51.332%0.31527%0.272SS..THydrogen-bonded Turntrans-85.9-40.6176.8-62.90000112D743D743-S745 PolarHBondContact O-N 2.57Å; D743-S745 VanDerWaalsContact O-N 3.13Å; D743-S745 PolarHBondContact OD1-N 3.19Å
746A78.9Confident82.8Confident2 Ų252.1 Ų52.12%0.01728%0.275CS..G310 helixtrans-74.1-35.7-177.800000112.8N738 E740 D743 Q748 L749N738-A746 WeakPolarHBondContact O-CB 3.12Å; E740-A746 HydrophobicContact CB-CB 3.95Å; D743-A746 HydrophobicContact CB-CB 3.78Å; D743-A746 PolarHBondContact O-N 3.46Å; A746-Q748 PolarHBondContact O-N 3.02Å; A746-Q748 VanDerWaalsContact O-N 3.12Å; A746-L749 HydrophobicContact CB-CD1 4.28Å; A746-L749 VanDerWaalsContact O-CB 3.29Å; A746-L749 WeakPolarHBondContact O-CB 3.35Å; A746-L749 WeakPolarHBondContact O-CD1 3.37Å; A746-L749 WeakPolarHBondContact O-CG 3.45Å; A746-L749 PolarHBondContact O-N 2.76Å
747S80.4Confident82.7Confident33 Ų3349.1 Ų49.123%0.23126%0.255CS..G310 helixtrans-60.5-21.2176.354.70000113.2E740 D743 P744E740-S747 WeakPolarHBondContact O-CA 3.37Å; E740-S747 PolarHBondContact O-N 3.32Å; E740-S747 VanDerWaalsContact O-N 3.11Å; D743-S747 VanDerWaalsContact O-CB 3.27Å; D743-S747 WeakPolarHBondContact O-CB 3.32Å; D743-S747 PolarHBondContact O-N 2.86Å; D743-S747 PolarHBondContact O-OG 2.81Å; P744-S747 PolarHBondContact O-OG 3.02Å
748Q83.2Confident82.6Confident77 Ų7742.5 Ų42.536%0.3622%0.22SC..G310 helixtrans-97.73.5178.9-61.1-178.41700113.3P744 A746 F750 L751 R752P744-Q748 PolarHBondContact O-NE2 3.44Å; A746-Q748 PolarHBondContact O-N 3.02Å; A746-Q748 VanDerWaalsContact O-N 3.12Å; Q748-F750 PolarHBondContact O-N 3.29Å; Q748-L751 WeakPolarHBondContact O-CB 3.48Å; Q748-L751 PolarHBondContact O-N 3.34Å; Q748-L751 VanDerWaalsContact O-N 3.15Å; Q748-R752 HydrophobicContact CB-CG 4.49Å; Q748-R752 WeakPolarHBondContact O-CG 3.47Å; Q748-R752 PolarHBondContact O-N 3.37Å
749L86Confident82.6Confident0 Ų043.4 Ų43.40%023%0.225CC..Hα-helixtrans-57-45.4-174.6-81.2171.6000113.9H714 Y734 C735 N738 A746 R752 L753H714-L749 HydrophobicContact CB-CD2 3.47Å; H714-L749 VanDerWaalsContact CB-CD2 3.47Å; H714-L749 VanDerWaalsContact CG-CD2 3.48Å; Y734-L749 HydrophobicContact CE1-CD2 4.32Å; C735-L749 HydrophobicContact CB-CB 4.49Å; N738-L749 VanDerWaalsContact C-CD1 3.49Å; N738-L749 HydrophobicContact CB-CD1 3.81Å; N738-L749 VanDerWaalsContact O-CD1 3.22Å; N738-L749 WeakPolarHBondContact O-CD1 3.11Å; A746-L749 HydrophobicContact CB-CD1 4.28Å; A746-L749 VanDerWaalsContact O-CB 3.29Å; A746-L749 WeakPolarHBondContact O-CB 3.35Å; A746-L749 WeakPolarHBondContact O-CD1 3.37Å; A746-L749 WeakPolarHBondContact O-CG 3.45Å; A746-L749 PolarHBondContact O-N 2.76Å; L749-R752 PolarHBondContact O-N 3.02Å; L749-L753 WeakPolarHBondContact O-CB 3.46Å; L749-L753 PolarHBondContact O-N 2.64Å
750F86.1Confident82.2Confident1 Ų142.9 Ų42.90%0.00423%0.226CC..Hα-helixtrans-69.4-36.2178.9-69.9-69.5000112.1C735 Y739 Q748 L753 F754 V786 F790 R793 M794C735-F750 HydrophobicContact CB-CD1 3.97Å; C735-F750 HydrophobicContact CB-CE1 3.64Å; C735-F750 HydrophobicContact CB-CZ 4.08Å; Y739-F750 HydrophobicContact CD1-CE2 4.33Å; Y739-F750 AromaticContact CD2-CD2 3.42Å; Y739-F750 HydrophobicContact CD2-CD2 3.42Å; Y739-F750 VanDerWaalsContact CD2-CD2 3.42Å; Y739-F750 AromaticContact CD2-CE2 3.46Å; Y739-F750 HydrophobicContact CD2-CE2 3.46Å; Y739-F750 VanDerWaalsContact CD2-CE2 3.46Å; Y739-F750 AromaticContact CE2-CD2 3.79Å; Y739-F750 HydrophobicContact CE2-CD2 3.79Å; Y739-F750 HydrophobicContact CE2-CE2 4.12Å; Y739-F750 HydrophobicContact CG-CD2 4.04Å; Y739-F750 AromaticContact CG-CE2 3.57Å; Y739-F750 HydrophobicContact CG-CE2 3.57Å; Q748-F750 PolarHBondContact O-N 3.29Å; F750-L753 PolarHBondContact O-N 3.16Å; F750-F754 WeakPolarHBondContact O-CB 3.42Å; F750-F754 PolarHBondContact O-N 3.33Å; F750-V786 HydrophobicContact CD1-CG1 4.43Å; F750-F790 HydrophobicContact CB-CB 4.42Å; F750-F790 HydrophobicContact CD1-CB 3.82Å; F750-F790 HydrophobicContact CD1-CD1 4.1Å; F750-F790 AromaticContact CD1-CD2 3.81Å; F750-F790 HydrophobicContact CD1-CD2 3.81Å; F750-F790 HydrophobicContact CD1-CE2 4.43Å; F750-F790 AromaticContact CD1-CG 3.62Å; F750-F790 HydrophobicContact CD1-CG 3.62Å; F750-F790 HydrophobicContact CD2-CB 4.44Å; F750-F790 HydrophobicContact CE1-CB 4.15Å; F750-F790 AromaticContact CE1-CD1 3.52Å; F750-F790 HydrophobicContact CE1-CD1 3.52Å; F750-F790 AromaticContact CE1-CD2 3.72Å; F750-F790 HydrophobicContact CE1-CD2 3.72Å; F750-F790 AromaticContact CE1-CE1 3.76Å; F750-F790 HydrophobicContact CE1-CE1 3.76Å; F750-F790 AromaticContact CE1-CE2 3.95Å; F750-F790 HydrophobicContact CE1-CE2 3.95Å; F750-F790 AromaticContact CE1-CG 3.5Å; F750-F790 HydrophobicContact CE1-CG 3.5Å; F750-F790 VanDerWaalsContact CE1-CG 3.5Å; F750-F790 AromaticContact CE1-CZ 3.96Å; F750-F790 HydrophobicContact CE1-CZ 3.96Å; F750-F790 HydrophobicContact CE2-CD1 4.25Å; F750-F790 HydrophobicContact CG-CB 3.99Å; F750-F790 HydrophobicContact CG-CG 4.25Å; F750-F790 AromaticContact CZ-CD1 3.61Å; F750-F790 HydrophobicContact CZ-CD1 3.61Å; F750-F790 AromaticContact CZ-CE1 3.86Å; F750-F790 HydrophobicContact CZ-CE1 3.86Å; F750-F790 HydrophobicContact CZ-CG 4.03Å; F750-F790 HydrophobicContact CZ-CZ 4.46Å; F750-R793 HydrophobicContact CD2-CB 3.76Å; F750-R793 HydrophobicContact CE2-CB 4.03Å; F750-M794 HydrophobicContact CB-CB 4.18Å; F750-M794 HydrophobicContact CB-CE 4.14Å
751L85.6Confident82Confident4 Ų438.9 Ų38.92%0.02121%0.209CC..Hα-helixtrans-62.5-47.5172-177.967.4000110.2Q748 L753 F754 Q755 M794 D795 K798 A799Q748-L751 WeakPolarHBondContact O-CB 3.48Å; Q748-L751 PolarHBondContact O-N 3.34Å; Q748-L751 VanDerWaalsContact O-N 3.15Å; L751-L753 PolarHBondContact O-N 2.72Å; L751-F754 WeakPolarHBondContact O-CB 3.48Å; L751-F754 PolarHBondContact O-N 2.83Å; L751-Q755 HydrophobicContact CG-CG 4.44Å; L751-Q755 WeakPolarHBondContact O-CG 3.48Å; L751-Q755 PolarHBondContact O-N 3.37Å; L751-M794 HydrophobicContact CB-CB 4.46Å; L751-D795 HydrophobicContact CD2-CB 4.38Å; L751-K798 HydrophobicContact CD1-CB 4.05Å; L751-K798 HydrophobicContact CD2-CB 4.11Å; L751-K798 HydrophobicContact CD2-CD 3.94Å; L751-A799 HydrophobicContact CD1-CB 3.87Å
752R84.4Confident81.9Confident43 Ų4335.5 Ų35.516%0.16220%0.201CC..Hα-helixtrans-63-41.9177.9-70-178-172.2-173.911.2112.4D715 L718 Q748 L749 F754 Q755 F756D715-R752 VanDerWaalsContact OD1-CD 3.26Å; D715-R752 WeakPolarHBondContact OD1-CD 3.16Å; D715-R752 IonicContact OD1-CZ 2.76Å; D715-R752 IonicContact OD1-NE 3.11Å; D715-R752 IonicContact OD1-NH1 2.75Å; D715-R752 PolarHBondContact OD1-NH1 2.94Å; D715-R752 IonicContact OD2-NH1 3.43Å; L718-R752 HydrophobicContact CD1-CB 4.09Å; Q748-R752 HydrophobicContact CB-CG 4.49Å; Q748-R752 WeakPolarHBondContact O-CG 3.47Å; Q748-R752 PolarHBondContact O-N 3.37Å; L749-R752 PolarHBondContact O-N 3.02Å; R752-F754 VanDerWaalsContact C-N 3.32Å; R752-F754 PolarHBondContact O-N 3.18Å; R752-Q755 WeakPolarHBondContact O-CB 3.26Å; R752-Q755 PolarHBondContact O-N 3.35Å; R752-F756 WeakPolarHBondContact O-CB 3.34Å; R752-F756 WeakPolarHBondContact O-CD2 3.28Å; R752-F756 PolarHBondContact O-N 3.06Å
753L86.6Confident81.8Confident0 Ų028.6 Ų28.60%016%0.164CC..Hα-helixtrans-58.6-45.8174.2-179.466000111.1L718 V722 A731 R732 C735 L749 F750 L751 F756 Y757 V786L718-L753 HydrophobicContact CD1-CB 4.39Å; L718-L753 HydrophobicContact CD2-CD1 3.95Å; V722-L753 HydrophobicContact CG2-CD1 4.27Å; A731-L753 HydrophobicContact CB-CD1 3.88Å; R732-L753 HydrophobicContact CG-CD2 4.24Å; C735-L753 HydrophobicContact CB-CD2 4.45Å; L749-L753 WeakPolarHBondContact O-CB 3.46Å; L749-L753 PolarHBondContact O-N 2.64Å; F750-L753 PolarHBondContact O-N 3.16Å; L751-L753 PolarHBondContact O-N 2.72Å; L753-F756 PolarHBondContact O-N 3.12Å; L753-Y757 HydrophobicContact CD1-CD2 4.29Å; L753-Y757 HydrophobicContact CD1-CE1 4.44Å; L753-Y757 HydrophobicContact CD1-CE2 3.59Å; L753-Y757 HydrophobicContact CD2-CE2 4.04Å; L753-Y757 HydrophobicContact CG-CD2 4.07Å; L753-Y757 HydrophobicContact CG-CE2 3.54Å; L753-Y757 VanDerWaalsContact O-CD2 3.31Å; L753-Y757 WeakPolarHBondContact O-CD2 2.98Å; L753-Y757 PolarHBondContact O-N 2.88Å; L753-V786 HydrophobicContact CD2-CG1 4.23Å; L753-V786 HydrophobicContact CD2-CG2 3.8Å; L753-V786 HydrophobicContact CG-CG2 4.34Å
754F86.2Confident81.5Confident0 Ų031.2 Ų31.20%019%0.185CC..Hα-helixtrans-59.4-47.6174.7178.5-89000111.8F750 L751 R752 F756 Y757 I758 A783 L787 A799 L803F750-F754 WeakPolarHBondContact O-CB 3.42Å; F750-F754 PolarHBondContact O-N 3.33Å; L751-F754 WeakPolarHBondContact O-CB 3.48Å; L751-F754 PolarHBondContact O-N 2.83Å; R752-F754 VanDerWaalsContact C-N 3.32Å; R752-F754 PolarHBondContact O-N 3.18Å; F754-F756 VanDerWaalsContact C-N 3.32Å; F754-F756 PolarHBondContact O-N 2.84Å; F754-Y757 PolarHBondContact O-N 3.28Å; F754-I758 HydrophobicContact CD1-CD1 3.85Å; F754-I758 HydrophobicContact CE1-CD1 3.18Å; F754-I758 HydrophobicContact CE1-CG1 4.31Å; F754-I758 HydrophobicContact CE2-CD1 4.1Å; F754-I758 HydrophobicContact CZ-CD1 3.34Å; F754-I758 HydrophobicContact CZ-CG1 4.48Å; F754-I758 PolarHBondContact O-N 3.37Å; F754-I758 VanDerWaalsContact O-N 3.15Å; F754-A783 HydrophobicContact CD2-CB 3.85Å; F754-A783 WeakPolarHBondContact CD2-O 3.34Å; F754-A783 HydrophobicContact CE2-CB 3.9Å; F754-A783 WeakPolarHBondContact CE2-O 3.36Å; F754-L787 HydrophobicContact CD2-CB 4.22Å; F754-L787 HydrophobicContact CE2-CB 3.9Å; F754-L787 HydrophobicContact CE2-CD2 4.31Å; F754-A799 HydrophobicContact CD1-CB 3.88Å; F754-A799 HydrophobicContact CE1-CB 3.69Å; F754-A799 WeakPolarHBondContact CE1-O 3.25Å; F754-A799 HydrophobicContact CG-CB 4.44Å; F754-A799 HydrophobicContact CZ-CB 4.11Å; F754-L803 HydrophobicContact CZ-CD1 4.32Å; F754-L803 HydrophobicContact CZ-CD2 4.01Å; F754-L803 HydrophobicContact CZ-CG 4.01Å
755Q86.4Confident81.2Confident46 Ų4629.8 Ų29.822%0.21517%0.171CC..Hα-helixtrans-59.2-42.1176-67.1173.6-24.700111.7L751 R752 Y757 I758 N759 E802L751-Q755 HydrophobicContact CG-CG 4.44Å; L751-Q755 WeakPolarHBondContact O-CG 3.48Å; L751-Q755 PolarHBondContact O-N 3.37Å; R752-Q755 WeakPolarHBondContact O-CB 3.26Å; R752-Q755 PolarHBondContact O-N 3.35Å; Q755-Y757 VanDerWaalsContact C-N 3.34Å; Q755-Y757 PolarHBondContact O-N 3.32Å; Q755-I758 PolarHBondContact O-N 2.66Å; Q755-N759 CarbonylContact O-C 3.53Å; Q755-N759 WeakPolarHBondContact O-CA 3.21Å; Q755-N759 PolarHBondContact O-N 2.89Å; Q755-E802 VanDerWaalsContact CG-OE2 3.3Å; Q755-E802 WeakPolarHBondContact CG-OE2 3.22Å; Q755-E802 PolarHBondContact NE2-OE1 3.11Å
756F84.1Confident80.8Confident16 Ų1628.4 Ų28.47%0.0716%0.16CC..Hα-helixtrans-67.2-33.6179.3-84.8-136.5000112.1D715 L718 A719 R752 L753 F754 P760 P761D715-F756 HydrophobicContact CB-CZ 3.98Å; D715-F756 VanDerWaalsContact O-CE1 3.3Å; D715-F756 WeakPolarHBondContact O-CE1 3.29Å; L718-F756 HydrophobicContact CB-CD1 3.65Å; L718-F756 HydrophobicContact CB-CE1 3.61Å; L718-F756 HydrophobicContact CB-CG 4.45Å; L718-F756 HydrophobicContact CB-CZ 4.38Å; A719-F756 HydrophobicContact CB-CE1 4.15Å; R752-F756 WeakPolarHBondContact O-CB 3.34Å; R752-F756 WeakPolarHBondContact O-CD2 3.28Å; R752-F756 PolarHBondContact O-N 3.06Å; L753-F756 PolarHBondContact O-N 3.12Å; F754-F756 VanDerWaalsContact C-N 3.32Å; F754-F756 PolarHBondContact O-N 2.84Å; F756-P760 WeakPolarHBondContact O-CA 3.15Å; F756-P760 VanDerWaalsContact O-CB 3.28Å; F756-P760 WeakPolarHBondContact O-CB 3.32Å; F756-P761 HydrophobicContact CD1-CG 3.71Å; F756-P761 HydrophobicContact CD2-CG 4.24Å; F756-P761 HydrophobicContact CE1-CG 3.43Å; F756-P761 VanDerWaalsContact CE1-CG 3.43Å; F756-P761 HydrophobicContact CE2-CG 4Å; F756-P761 HydrophobicContact CG-CG 4.12Å; F756-P761 HydrophobicContact CZ-CG 3.6Å
757Y85.3Confident80.2Confident0 Ų031.7 Ų31.70%019%0.194CC..Hα-helixtrans-71.3-34.1174.1-71.8-42.1000113V722 C728 L753 F754 Q755 M779 Q782 V786V722-Y757 HydrophobicContact CG1-CD1 4.02Å; V722-Y757 HydrophobicContact CG1-CE1 4.06Å; V722-Y757 HydrophobicContact CG2-CD1 4.4Å; V722-Y757 HydrophobicContact CG2-CE1 3.85Å; C728-Y757 WeakPolarHBondContact CA-OH 3.3Å; C728-Y757 WeakPolarHBondContact CB-OH 3.29Å; C728-Y757 PolarHBondContact O-OH 2.91Å; L753-Y757 HydrophobicContact CD1-CD2 4.29Å; L753-Y757 HydrophobicContact CD1-CE1 4.44Å; L753-Y757 HydrophobicContact CD1-CE2 3.59Å; L753-Y757 HydrophobicContact CD2-CE2 4.04Å; L753-Y757 HydrophobicContact CG-CD2 4.07Å; L753-Y757 HydrophobicContact CG-CE2 3.54Å; L753-Y757 VanDerWaalsContact O-CD2 3.31Å; L753-Y757 WeakPolarHBondContact O-CD2 2.98Å; L753-Y757 PolarHBondContact O-N 2.88Å; F754-Y757 PolarHBondContact O-N 3.28Å; Q755-Y757 VanDerWaalsContact C-N 3.34Å; Q755-Y757 PolarHBondContact O-N 3.32Å; Y757-M779 HydrophobicContact CD1-CB 3.93Å; Y757-M779 HydrophobicContact CD1-CG 4.47Å; Y757-M779 HydrophobicContact CD1-SD 4.16Å; Y757-M779 HydrophobicContact CE1-SD 4.23Å; Y757-M779 HydrophobicContact CG-CB 4.45Å; Y757-M779 PolarHBondContact O-N 3.01Å; Y757-Q782 HydrophobicContact CD1-CB 4.22Å; Y757-Q782 HydrophobicContact CD2-CB 4.06Å; Y757-Q782 HydrophobicContact CE1-CB 4.23Å; Y757-Q782 HydrophobicContact CE2-CB 4.07Å; Y757-Q782 HydrophobicContact CG-CB 4.15Å; Y757-V786 HydrophobicContact CD2-CG2 4.24Å; Y757-V786 HydrophobicContact CE2-CG2 3.82Å
758I83.2Confident79.2Confident7 Ų731.4 Ų31.44%0.03619%0.191CC..Hα-helixtrans-81.2-51.1179.5-64.6-177.1000111.6F754 Q755 P760 R778 A783 L803F754-I758 HydrophobicContact CD1-CD1 3.85Å; F754-I758 HydrophobicContact CE1-CD1 3.18Å; F754-I758 HydrophobicContact CE1-CG1 4.31Å; F754-I758 HydrophobicContact CE2-CD1 4.1Å; F754-I758 HydrophobicContact CZ-CD1 3.34Å; F754-I758 HydrophobicContact CZ-CG1 4.48Å; F754-I758 PolarHBondContact O-N 3.37Å; F754-I758 VanDerWaalsContact O-N 3.15Å; Q755-I758 PolarHBondContact O-N 2.66Å; I758-P760 WeakPolarHBondContact O-CD 3.42Å; I758-R778 WeakPolarHBondContact O-CD 3.47Å; I758-R778 VanDerWaalsContact O-CG 3.31Å; I758-R778 WeakPolarHBondContact O-CG 3.42Å; I758-A783 HydrophobicContact CD1-CB 4.31Å; I758-A783 HydrophobicContact CG1-CB 3.77Å; I758-L803 HydrophobicContact CD1-CD2 3.82Å; I758-L803 HydrophobicContact CD1-CG 4.27Å
759N81.9Confident77.7Confident74 Ų7433.6 Ų33.640%0.39622%0.215SC..SBendtrans-125.475.1-176.1-67.8-42.4000108.5Q755Q755-N759 CarbonylContact O-C 3.53Å; Q755-N759 WeakPolarHBondContact O-CA 3.21Å; Q755-N759 PolarHBondContact O-N 2.89Å
760P78.5Confident76.4Confident23 Ų2336.4 Ų36.415%0.14923%0.226CC..PPolyproline II helixtrans-61.1126.7-17726.5-36.1000109.7F756 I758 P776F756-P760 WeakPolarHBondContact O-CA 3.15Å; F756-P760 VanDerWaalsContact O-CB 3.28Å; F756-P760 WeakPolarHBondContact O-CB 3.32Å; I758-P760 WeakPolarHBondContact O-CD 3.42Å; P760-P776 HydrophobicContact CB-CB 3.63Å; P760-P776 HydrophobicContact CG-CB 3.76Å
761P75.9Confident74.8Confident21 Ų2141.8 Ų41.814%0.13627%0.271CS..PPolyproline II helixtrans-66.9156.7-176.826.2-33.8000111.4N723 F756 I765N723-P761 PolarHBondContact ND2-O 3.45Å; F756-P761 HydrophobicContact CD1-CG 3.71Å; F756-P761 HydrophobicContact CD2-CG 4.24Å; F756-P761 HydrophobicContact CE1-CG 3.43Å; F756-P761 VanDerWaalsContact CE1-CG 3.43Å; F756-P761 HydrophobicContact CE2-CG 4Å; F756-P761 HydrophobicContact CG-CG 4.12Å; F756-P761 HydrophobicContact CZ-CG 3.6Å; P761-I765 HydrophobicContact CB-CD1 3.28Å; P761-I765 HydrophobicContact CB-CG1 4.18Å; P761-I765 HydrophobicContact CG-CD1 3.86Å
762S75.4Confident73.5Confident71 Ų7146.5 Ų46.550%0.49730%0.3SS..PPolyproline II helixtrans-57.8140170.3170.20000110.6S764 I765S762-S764 VanDerWaalsContact CB-OG 3.27Å; S762-S764 WeakPolarHBondContact CB-OG 3.48Å; S762-S764 PolarHBondContact O-N 2.83Å; S762-S764 WeakPolarHBondContact OG-CB 3.47Å; S762-S764 PolarHBondContact OG-N 2.89Å; S762-S764 PolarHBondContact OG-OG 2.98Å; S762-I765 PolarHBondContact O-N 3.01Å; S762-I765 VanDerWaalsContact O-N 3.12Å
763N74.5Confident72.6Confident21 Ų2146.1 Ų46.111%0.11230%0.301CS..G310 helixtrans-58.8-10.4175.3-67.8-24.8000113.3N723 I765 L766 L773 P774N723-N763 WeakPolarHBondContact CB-OD1 3.28Å; N723-N763 PolarHBondContact ND2-OD1 2.88Å; N763-I765 PolarHBondContact O-N 3.4Å; N763-L766 WeakPolarHBondContact O-CB 3.42Å; N763-L766 PolarHBondContact O-N 3Å; N763-L766 VanDerWaalsContact O-N 3.14Å; N763-L773 HydrophobicContact CB-CD1 3.93Å; N763-L773 WeakPolarHBondContact ND2-CB 3.31Å; N763-P774 PolarHBondContact ND2-O 2.8Å
764S73.2Confident71.7Confident81 Ų8148.3 Ų48.357%0.56632%0.315SS*.G310 helixtrans-56.5-23.2170.154.60000114.3S762 L766 G767S762-S764 VanDerWaalsContact CB-OG 3.27Å; S762-S764 WeakPolarHBondContact CB-OG 3.48Å; S762-S764 PolarHBondContact O-N 2.83Å; S762-S764 WeakPolarHBondContact OG-CB 3.47Å; S762-S764 PolarHBondContact OG-N 2.89Å; S762-S764 PolarHBondContact OG-OG 2.98Å; S764-L766 PolarHBondContact O-N 2.97Å; S764-G767 PolarHBondContact O-N 2.81Å; S764-G767 VanDerWaalsContact O-N 3.07Å
765I72.3Confident70.8Confident60 Ų6052.5 Ų52.531%0.30834%0.344SS..G310 helixtrans-60.7-26.1176.2-66.4-169.1000112.4D715 Q716 P761 S762 N763 G767D715-I765 HydrophobicContact CB-CG2 4.31Å; Q716-I765 HydrophobicContact CG-CG2 3.99Å; Q716-I765 PolarHBondContact NE2-O 2.87Å; P761-I765 HydrophobicContact CB-CD1 3.28Å; P761-I765 HydrophobicContact CB-CG1 4.18Å; P761-I765 HydrophobicContact CG-CD1 3.86Å; S762-I765 PolarHBondContact O-N 3.01Å; S762-I765 VanDerWaalsContact O-N 3.12Å; N763-I765 PolarHBondContact O-N 3.4Å; I765-G767 PolarHBondContact O-N 2.93Å
766L69.9Low70.2Confident17 Ų1752.8 Ų52.89%0.08935%0.35CS..G310 helixtrans-73.8-3.9178.9-59.2169.3000112.9Q716 A719 I720 I724 N763 S764 V768Q716-L766 HydrophobicContact CB-CD2 4.4Å; A719-L766 HydrophobicContact CB-CD2 3.95Å; A719-L766 HydrophobicContact CB-CG 4.39Å; I720-L766 HydrophobicContact CD1-CD2 4.33Å; I720-L766 HydrophobicContact CG1-CD2 3.72Å; I724-L766 HydrophobicContact CD1-CD1 3.51Å; I724-L766 HydrophobicContact CG1-CD1 4.17Å; N763-L766 WeakPolarHBondContact O-CB 3.42Å; N763-L766 PolarHBondContact O-N 3Å; N763-L766 VanDerWaalsContact O-N 3.14Å; S764-L766 PolarHBondContact O-N 2.97Å; L766-V768 HydrophobicContact CB-CG2 4.3Å; L766-V768 WeakPolarHBondContact O-CG2 3.21Å; L766-V768 PolarHBondContact O-N 2.97Å
767G64.4Low69.8Low70 Ų7054.7 Ų54.772%0.72237%0.365SS*.THydrogen-bonded Turntrans72.312.7-178.300000113.4S764 I765S764-G767 PolarHBondContact O-N 2.81Å; S764-G767 VanDerWaalsContact O-N 3.07Å; I765-G767 PolarHBondContact O-N 2.93Å
768V60.9Low69.5Low27 Ų2762 Ų6216%0.16439%0.393CS..  trans-136.6129.2-177.5-124.70000111.2L766 Y770L766-V768 HydrophobicContact CB-CG2 4.3Å; L766-V768 WeakPolarHBondContact O-CG2 3.21Å; L766-V768 PolarHBondContact O-N 2.97Å; V768-Y770 HydrophobicContact CB-CD2 4.04Å; V768-Y770 HydrophobicContact CB-CE1 4.44Å; V768-Y770 HydrophobicContact CB-CE2 3.45Å; V768-Y770 VanDerWaalsContact CB-CE2 3.45Å; V768-Y770 HydrophobicContact CG1-CD2 4.37Å; V768-Y770 HydrophobicContact CG1-CE1 3.79Å; V768-Y770 HydrophobicContact CG1-CE2 3.49Å; V768-Y770 VanDerWaalsContact CG1-CE2 3.49Å; V768-Y770 WeakPolarHBondContact CG1-OH 3.41Å; V768-Y770 HydrophobicContact CG2-CE2 4.03Å
769S51.9Low69.5Low123 Ų12364 Ų6486%0.8640%0.403SS*.  trans-99.2107.3178-171.90000108.7
770Y57Low69.5Low59 Ų5963 Ų6323%0.23140%0.399CS..  trans-122.9130175.2-58.9-49.3000110.6H697 F698 V768 T772 L773H697-Y770 HydrophobicContact CB-CE2 3.89Å; H697-Y770 WeakPolarHBondContact CB-OH 3.12Å; H697-Y770 VanDerWaalsContact CG-OH 3.31Å; F698-Y770 HydrophobicContact CD1-CD1 4.29Å; F698-Y770 HydrophobicContact CD1-CD2 4.33Å; F698-Y770 HydrophobicContact CD1-CE1 4.16Å; F698-Y770 HydrophobicContact CD1-CE2 4.15Å; F698-Y770 HydrophobicContact CD1-CG 4.37Å; F698-Y770 AromaticContact CE1-CD1 3.26Å; F698-Y770 HydrophobicContact CE1-CD1 3.26Å; F698-Y770 HydrophobicContact CE1-CD2 4.03Å; F698-Y770 AromaticContact CE1-CE1 3.15Å; F698-Y770 HydrophobicContact CE1-CE1 3.15Å; F698-Y770 AromaticContact CE1-CE2 3.91Å; F698-Y770 HydrophobicContact CE1-CE2 3.91Å; F698-Y770 AromaticContact CE1-CG 3.71Å; F698-Y770 HydrophobicContact CE1-CG 3.71Å; F698-Y770 AromaticContact CE1-CZ 3.46Å; F698-Y770 VanDerWaalsContact CE1-CZ 3.46Å; F698-Y770 HydrophobicContact CE2-CE1 4Å; F698-Y770 AromaticContact CZ-CD1 3.61Å; F698-Y770 HydrophobicContact CZ-CD1 3.61Å; F698-Y770 AromaticContact CZ-CE1 3.06Å; F698-Y770 HydrophobicContact CZ-CE1 3.06Å; F698-Y770 HydrophobicContact CZ-CE2 4.36Å; F698-Y770 HydrophobicContact CZ-CG 4.45Å; F698-Y770 AromaticContact CZ-CZ 3.47Å; F698-Y770 VanDerWaalsContact CZ-CZ 3.47Å; V768-Y770 HydrophobicContact CB-CD2 4.04Å; V768-Y770 HydrophobicContact CB-CE1 4.44Å; V768-Y770 HydrophobicContact CB-CE2 3.45Å; V768-Y770 VanDerWaalsContact CB-CE2 3.45Å; V768-Y770 HydrophobicContact CG1-CD2 4.37Å; V768-Y770 HydrophobicContact CG1-CE1 3.79Å; V768-Y770 HydrophobicContact CG1-CE2 3.49Å; V768-Y770 VanDerWaalsContact CG1-CE2 3.49Å; V768-Y770 WeakPolarHBondContact CG1-OH 3.41Å; V768-Y770 HydrophobicContact CG2-CE2 4.03Å; Y770-T772 PolarHBondContact O-N 2.79Å; Y770-L773 HydrophobicContact CD2-CD1 3.92Å; Y770-L773 HydrophobicContact CD2-CG 4.37Å; Y770-L773 HydrophobicContact CG-CD1 4.36Å
771A52.4Low69.8Low115 Ų11567.4 Ų67.495%0.9542%0.421SS*.THydrogen-bonded Turntrans-68.3-16.6177.700000113.2
772T60Low70.2Confident102 Ų10268.5 Ų68.563%0.62642%0.424SS*.THydrogen-bonded Turntrans-101.1-1.4-171.713.20000114.9Y770Y770-T772 PolarHBondContact O-N 2.79Å
773L64.9Low70.7Confident36 Ų3665.1 Ų65.119%0.18840%0.401CS..SBendtrans-71.4141.9179.9-78.8162.3000111.3I724 N763 Y770 S775I724-L773 HydrophobicContact CD1-CD2 4.26Å; I724-L773 HydrophobicContact CG1-CD2 4.13Å; I724-L773 HydrophobicContact CG2-CD2 4.35Å; N763-L773 HydrophobicContact CB-CD1 3.93Å; N763-L773 WeakPolarHBondContact ND2-CB 3.31Å; Y770-L773 HydrophobicContact CD2-CD1 3.92Å; Y770-L773 HydrophobicContact CD2-CG 4.37Å; Y770-L773 HydrophobicContact CG-CD1 4.36Å; L773-S775 PolarHBondContact O-N 2.8Å
774P67.8Low71.1Confident45 Ų4564.9 Ų64.929%0.29240%0.4SS..PPolyproline II helixtrans-53133.6172.4-23.131.9000111N763N763-P774 PolarHBondContact ND2-O 2.8Å
775S67.5Low71.8Confident89 Ų8964.8 Ų64.862%0.62239%0.39SS*.PPolyproline II helixtrans-64.5130.4173.253.60000109.4L773 S777L773-S775 PolarHBondContact O-N 2.8Å; S775-S777 PolarHBondContact O-N 3.1Å
776P72.8Confident72.4Confident51 Ų5162 Ų6233%0.33138%0.376SS..PPolyproline II helixtrans-58.3131.4178.419.8-29.4000110.9P760P760-P776 HydrophobicContact CB-CB 3.63Å; P760-P776 HydrophobicContact CG-CB 3.76Å
777S76.1Confident73.2Confident56 Ų5661.1 Ų61.139%0.39237%0.372SS..  trans-118.9138.1-178.256.60000111S775S775-S777 PolarHBondContact O-N 3.1Å
778R79.9Confident74.3Confident155 Ų15562.1 Ų62.159%0.58536%0.356SS*.  trans-68.2135.5178.2-59.3-171.6177.5-170.1-5.2111.2I758I758-R778 WeakPolarHBondContact O-CD 3.47Å; I758-R778 VanDerWaalsContact O-CG 3.31Å; I758-R778 WeakPolarHBondContact O-CG 3.42Å
779M82.2Confident75.4Confident49 Ų4965.5 Ų65.524%0.24137%0.37CS..  trans-125.563.9-176.6-56.8-174.678.100110.9C728 Y757 N781 Q782 A783C728-M779 WeakPolarHBondContact SG-CE 3.4Å; Y757-M779 HydrophobicContact CD1-CB 3.93Å; Y757-M779 HydrophobicContact CD1-CG 4.47Å; Y757-M779 HydrophobicContact CD1-SD 4.16Å; Y757-M779 HydrophobicContact CE1-SD 4.23Å; Y757-M779 HydrophobicContact CG-CB 4.45Å; Y757-M779 PolarHBondContact O-N 3.01Å; M779-N781 VanDerWaalsContact C-N 3.33Å; M779-N781 PolarHBondContact O-N 3.08Å; M779-Q782 HydrophobicContact CB-CB 4.19Å; M779-Q782 HydrophobicContact CB-CG 4.28Å; M779-Q782 HydrophobicContact CE-CG 4.11Å; M779-Q782 PolarHBondContact O-N 2.89Å; M779-Q782 VanDerWaalsContact O-N 3.11Å; M779-A783 PolarHBondContact O-N 2.85Å
780V82.2Confident76.9Confident53 Ų5361.1 Ų61.132%0.32134%0.336SS..Hα-helixtrans-56.8-42.1-171.6-177.50000112.9Q782 A783 L784 V807V780-Q782 VanDerWaalsContact C-N 3.3Å; V780-Q782 PolarHBondContact O-N 3.46Å; V780-A783 WeakPolarHBondContact O-CB 3.32Å; V780-A783 PolarHBondContact O-N 2.92Å; V780-A783 VanDerWaalsContact O-N 3.16Å; V780-L784 HydrophobicContact CG1-CD1 4.46Å; V780-L784 WeakPolarHBondContact O-CG 3.26Å; V780-L784 PolarHBondContact O-N 2.64Å; V780-V807 HydrophobicContact CG1-CG2 4.06Å
781N84.2Confident78.2Confident115 Ų11558.5 Ų58.562%0.61533%0.326SS*.Hα-helixtrans-60.9-39.4179.7-64.5-16.6000112.4M779 L784 E785M779-N781 VanDerWaalsContact C-N 3.33Å; M779-N781 PolarHBondContact O-N 3.08Å; N781-L784 PolarHBondContact O-N 2.82Å; N781-E785 WeakPolarHBondContact O-CG 3.37Å; N781-E785 PolarHBondContact O-N 3.02Å
782Q84.8Confident79.5Confident43 Ų4357.3 Ų57.320%0.20130%0.304CS..Hα-helixtrans-70-34.6178.5-63.1-65.9-54.600111.4Y757 M779 V780 E785 V786Y757-Q782 HydrophobicContact CD1-CB 4.22Å; Y757-Q782 HydrophobicContact CD2-CB 4.06Å; Y757-Q782 HydrophobicContact CE1-CB 4.23Å; Y757-Q782 HydrophobicContact CE2-CB 4.07Å; Y757-Q782 HydrophobicContact CG-CB 4.15Å; M779-Q782 HydrophobicContact CB-CB 4.19Å; M779-Q782 HydrophobicContact CB-CG 4.28Å; M779-Q782 HydrophobicContact CE-CG 4.11Å; M779-Q782 PolarHBondContact O-N 2.89Å; M779-Q782 VanDerWaalsContact O-N 3.11Å; V780-Q782 VanDerWaalsContact C-N 3.3Å; V780-Q782 PolarHBondContact O-N 3.46Å; Q782-E785 PolarHBondContact NE2-OE1 3.45Å; Q782-E785 PolarHBondContact O-N 3.1Å; Q782-V786 WeakPolarHBondContact O-CG2 3.34Å; Q782-V786 PolarHBondContact O-N 2.94Å; Q782-V786 VanDerWaalsContact O-N 3.08Å
783A85.2Confident80.6Confident1 Ų157.3 Ų57.31%0.00829%0.292CS..Hα-helixtrans-62.2-43.3171.600000111.6F754 I758 M779 V780 E785 V786 L787F754-A783 HydrophobicContact CD2-CB 3.85Å; F754-A783 WeakPolarHBondContact CD2-O 3.34Å; F754-A783 HydrophobicContact CE2-CB 3.9Å; F754-A783 WeakPolarHBondContact CE2-O 3.36Å; I758-A783 HydrophobicContact CD1-CB 4.31Å; I758-A783 HydrophobicContact CG1-CB 3.77Å; M779-A783 PolarHBondContact O-N 2.85Å; V780-A783 WeakPolarHBondContact O-CB 3.32Å; V780-A783 PolarHBondContact O-N 2.92Å; V780-A783 VanDerWaalsContact O-N 3.16Å; A783-E785 PolarHBondContact O-N 2.83Å; A783-V786 PolarHBondContact O-N 3.23Å; A783-L787 PolarHBondContact O-N 3.33Å
784L84.7Confident81.4Confident16 Ų1656.5 Ų56.58%0.08429%0.288CS..Hα-helixtrans-65.4-37.4178.2-65.8178.4000112.6V780 N781 L787 F788 D811 L812V780-L784 HydrophobicContact CG1-CD1 4.46Å; V780-L784 WeakPolarHBondContact O-CG 3.26Å; V780-L784 PolarHBondContact O-N 2.64Å; N781-L784 PolarHBondContact O-N 2.82Å; L784-L787 PolarHBondContact O-N 3.01Å; L784-F788 WeakPolarHBondContact O-CB 3.33Å; L784-F788 PolarHBondContact O-N 3.22Å; L784-D811 HydrophobicContact CD1-CB 3.89Å; L784-L812 HydrophobicContact CD2-CD2 3.61Å
785E86.4Confident82.1Confident79 Ų7957.1 Ų57.137%0.36929%0.288SS..Hα-helixtrans-63.1-44.1173.2-73.6174.6-146.900111.7R732 N781 Q782 A783 L787 F788 E789R732-E785 IonicContact CZ-OE2 3.72Å; R732-E785 IonicContact NH1-OE2 3.89Å; R732-E785 PolarHBondContact NH1-OE2 3.02Å; R732-E785 IonicContact NH2-OE2 3.57Å; R732-E785 PolarHBondContact NH2-OE2 3.34Å; N781-E785 WeakPolarHBondContact O-CG 3.37Å; N781-E785 PolarHBondContact O-N 3.02Å; Q782-E785 PolarHBondContact NE2-OE1 3.45Å; Q782-E785 PolarHBondContact O-N 3.1Å; A783-E785 PolarHBondContact O-N 2.83Å; E785-L787 VanDerWaalsContact C-N 3.32Å; E785-L787 PolarHBondContact O-N 2.81Å; E785-F788 PolarHBondContact O-N 2.93Å; E785-E789 PolarHBondContact O-N 2.95Å
786V86.1Confident82.8Confident0 Ų054 Ų540%027%0.266CS..Hα-helixtrans-63-38.6175.81750000111.6F750 L753 Y757 Q782 A783 F790 M794F750-V786 HydrophobicContact CD1-CG1 4.43Å; L753-V786 HydrophobicContact CD2-CG1 4.23Å; L753-V786 HydrophobicContact CD2-CG2 3.8Å; L753-V786 HydrophobicContact CG-CG2 4.34Å; Y757-V786 HydrophobicContact CD2-CG2 4.24Å; Y757-V786 HydrophobicContact CE2-CG2 3.82Å; Q782-V786 WeakPolarHBondContact O-CG2 3.34Å; Q782-V786 PolarHBondContact O-N 2.94Å; Q782-V786 VanDerWaalsContact O-N 3.08Å; A783-V786 PolarHBondContact O-N 3.23Å; V786-F790 HydrophobicContact CG1-CD2 4.17Å; V786-F790 WeakPolarHBondContact O-CB 3.33Å; V786-F790 PolarHBondContact O-N 2.93Å; V786-M794 HydrophobicContact CG1-CE 3.82Å; V786-M794 VanDerWaalsContact O-CE 3.29Å; V786-M794 WeakPolarHBondContact O-CE 3.39Å
787L85.9Confident83.3Confident0 Ų055.2 Ų55.20%028%0.276CS..Hα-helixtrans-65.4-38.5175.4-177.765000112.3F754 A783 L784 E785 S791 M794 A799 L800 P815 V819F754-L787 HydrophobicContact CD2-CB 4.22Å; F754-L787 HydrophobicContact CE2-CB 3.9Å; F754-L787 HydrophobicContact CE2-CD2 4.31Å; A783-L787 PolarHBondContact O-N 3.33Å; L784-L787 PolarHBondContact O-N 3.01Å; E785-L787 VanDerWaalsContact C-N 3.32Å; E785-L787 PolarHBondContact O-N 2.81Å; L787-S791 VanDerWaalsContact O-CB 3.3Å; L787-S791 WeakPolarHBondContact O-CB 3.4Å; L787-S791 PolarHBondContact O-N 2.81Å; L787-M794 HydrophobicContact CD1-SD 3.75Å; L787-A799 HydrophobicContact CD1-CB 4.38Å; L787-L800 HydrophobicContact CD2-CD2 4.4Å; L787-P815 HydrophobicContact CD2-CB 3.87Å; L787-P815 HydrophobicContact CG-CB 4.11Å; L787-V819 HydrophobicContact CD1-CG2 4Å; L787-V819 HydrophobicContact CG-CG2 4.29Å
788F86.5Confident83.7Confident91 Ų9157.3 Ų57.340%0.39928%0.277SS..Hα-helixtrans-70.3-41.8178.6176.3-103000112.6L784 E785 I814 P815 K818L784-F788 WeakPolarHBondContact O-CB 3.33Å; L784-F788 PolarHBondContact O-N 3.22Å; E785-F788 PolarHBondContact O-N 2.93Å; F788-I814 HydrophobicContact CD2-CG2 3.73Å; F788-I814 HydrophobicContact CE2-CG2 3.46Å; F788-I814 VanDerWaalsContact CE2-CG2 3.46Å; F788-I814 HydrophobicContact CZ-CG2 4.34Å; F788-P815 HydrophobicContact CB-CB 4.49Å; F788-P815 HydrophobicContact CB-CG 4.43Å; F788-K818 HydrophobicContact CD2-CB 3.98Å; F788-K818 HydrophobicContact CD2-CG 4.2Å; F788-K818 HydrophobicContact CE2-CB 4.14Å; F788-K818 HydrophobicContact CE2-CG 4.34Å; F788-K818 WeakPolarHBondContact O-CG 3.35Å
789E85.1Confident83.9Confident98 Ų9849.9 Ų49.946%0.45825%0.25SC..Hα-helixtrans-82.2-34.8-175.7-70.8-178171.800113.4R732 E785R732-E789 IonicContact NH1-OE2 2.8Å; E785-E789 PolarHBondContact O-N 2.95Å
790F84.3Confident83.9Confident30 Ų3050.6 Ų50.613%0.13225%0.254CS..SBendtrans-120.924.7-168.4-55.1-74.7000113.6F750 V786 N792 R793 M794F750-F790 HydrophobicContact CB-CB 4.42Å; F750-F790 HydrophobicContact CD1-CB 3.82Å; F750-F790 HydrophobicContact CD1-CD1 4.1Å; F750-F790 AromaticContact CD1-CD2 3.81Å; F750-F790 HydrophobicContact CD1-CD2 3.81Å; F750-F790 HydrophobicContact CD1-CE2 4.43Å; F750-F790 AromaticContact CD1-CG 3.62Å; F750-F790 HydrophobicContact CD1-CG 3.62Å; F750-F790 HydrophobicContact CD2-CB 4.44Å; F750-F790 HydrophobicContact CE1-CB 4.15Å; F750-F790 AromaticContact CE1-CD1 3.52Å; F750-F790 HydrophobicContact CE1-CD1 3.52Å; F750-F790 AromaticContact CE1-CD2 3.72Å; F750-F790 HydrophobicContact CE1-CD2 3.72Å; F750-F790 AromaticContact CE1-CE1 3.76Å; F750-F790 HydrophobicContact CE1-CE1 3.76Å; F750-F790 AromaticContact CE1-CE2 3.95Å; F750-F790 HydrophobicContact CE1-CE2 3.95Å; F750-F790 AromaticContact CE1-CG 3.5Å; F750-F790 HydrophobicContact CE1-CG 3.5Å; F750-F790 VanDerWaalsContact CE1-CG 3.5Å; F750-F790 AromaticContact CE1-CZ 3.96Å; F750-F790 HydrophobicContact CE1-CZ 3.96Å; F750-F790 HydrophobicContact CE2-CD1 4.25Å; F750-F790 HydrophobicContact CG-CB 3.99Å; F750-F790 HydrophobicContact CG-CG 4.25Å; F750-F790 AromaticContact CZ-CD1 3.61Å; F750-F790 HydrophobicContact CZ-CD1 3.61Å; F750-F790 AromaticContact CZ-CE1 3.86Å; F750-F790 HydrophobicContact CZ-CE1 3.86Å; F750-F790 HydrophobicContact CZ-CG 4.03Å; F750-F790 HydrophobicContact CZ-CZ 4.46Å; V786-F790 HydrophobicContact CG1-CD2 4.17Å; V786-F790 WeakPolarHBondContact O-CB 3.33Å; V786-F790 PolarHBondContact O-N 2.93Å; F790-N792 PolarHBondContact O-N 2.79Å; F790-R793 PolarHBondContact O-N 2.97Å; F790-M794 HydrophobicContact CB-CE 4.05Å; F790-M794 PolarHBondContact O-N 3.44Å
791S82.3Confident84.1Confident5 Ų552.1 Ų52.14%0.03527%0.272CS..G310 helixtrans-56.2-33.4178.636.80000113.9L787 R793 T796 D822L787-S791 VanDerWaalsContact O-CB 3.3Å; L787-S791 WeakPolarHBondContact O-CB 3.4Å; L787-S791 PolarHBondContact O-N 2.81Å; S791-R793 VanDerWaalsContact C-N 3.27Å; S791-R793 PolarHBondContact O-N 3.48Å; S791-T796 VanDerWaalsContact O-CG2 3.27Å; S791-T796 WeakPolarHBondContact O-CG2 3.14Å; S791-D822 PolarHBondContact OG-OD2 2.88Å
792N81.4Confident83.9Confident89 Ų8949.8 Ų49.848%0.47626%0.257SS..G310 helixtrans-73.3-13176.163-11.7000114.5F790 D822F790-N792 PolarHBondContact O-N 2.79Å; N792-D822 HydrophobicContact CB-CB 4.21Å; N792-D822 PolarHBondContact N-OD2 3.46Å
793R81.6Confident83.6Confident103 Ų10349.2 Ų49.239%0.38926%0.255SS..G310 helixtrans-115.915.4-176.1-69.2-176.2-170.1-122.13.4113.2Y739 F750 F790 S791Y739-R793 HydrophobicContact CD1-CG 4.49Å; Y739-R793 VanDerWaalsContact CD1-NH1 3.29Å; Y739-R793 HydrophobicContact CE1-CB 4.1Å; Y739-R793 HydrophobicContact CE1-CG 3.81Å; Y739-R793 HydrophobicContact CE2-CB 3.85Å; Y739-R793 HydrophobicContact CE2-CG 4.47Å; Y739-R793 VanDerWaalsContact CE2-O 3.24Å; Y739-R793 WeakPolarHBondContact CE2-O 3.36Å; Y739-R793 WeakPolarHBondContact OH-CA 3.32Å; Y739-R793 PolarHBondContact OH-O 3.14Å; F750-R793 HydrophobicContact CD2-CB 3.76Å; F750-R793 HydrophobicContact CE2-CB 4.03Å; F790-R793 PolarHBondContact O-N 2.97Å; S791-R793 VanDerWaalsContact C-N 3.27Å; S791-R793 PolarHBondContact O-N 3.48Å
794M82.2Confident82.9Confident18 Ų1851.2 Ų51.29%0.08927%0.27CS..SBendtrans-140.8157.7177.870.9172.776.300111.7F750 L751 V786 L787 F790 T796 A799F750-M794 HydrophobicContact CB-CB 4.18Å; F750-M794 HydrophobicContact CB-CE 4.14Å; L751-M794 HydrophobicContact CB-CB 4.46Å; V786-M794 HydrophobicContact CG1-CE 3.82Å; V786-M794 VanDerWaalsContact O-CE 3.29Å; V786-M794 WeakPolarHBondContact O-CE 3.39Å; L787-M794 HydrophobicContact CD1-SD 3.75Å; F790-M794 HydrophobicContact CB-CE 4.05Å; F790-M794 PolarHBondContact O-N 3.44Å; M794-T796 VanDerWaalsContact C-N 3.34Å; M794-T796 HydrophobicContact CG-CG2 4.16Å; M794-T796 PolarHBondContact O-N 2.8Å; M794-A799 HydrophobicContact SD-CB 4.11Å
795D83.6Confident82.2Confident58 Ų5856.3 Ų56.331%0.3131%0.307SS..  trans-74.490.6170-170.5-19.3000109.5L751 S797 K798 A799L751-D795 HydrophobicContact CD2-CB 4.38Å; D795-S797 PolarHBondContact O-N 3.28Å; D795-S797 WeakPolarHBondContact OD1-CB 3.45Å; D795-S797 PolarHBondContact OD1-N 2.83Å; D795-S797 PolarHBondContact OD1-OG 3.42Å; D795-K798 HydrophobicContact CB-CB 4.33Å; D795-K798 HydrophobicContact CB-CD 4.16Å; D795-K798 HydrophobicContact CB-CG 4.37Å; D795-K798 PolarHBondContact O-N 3.31Å; D795-K798 VanDerWaalsContact O-N 3.17Å; D795-K798 PolarHBondContact OD1-N 2.83Å; D795-K798 WeakPolarHBondContact OD2-CD 3.42Å; D795-K798 WeakPolarHBondContact OD2-CE 3.33Å; D795-K798 WeakPolarHBondContact OD2-CG 3.42Å; D795-K798 IonicContact OD2-NZ 3.6Å; D795-K798 PolarHBondContact OD2-NZ 3.5Å; D795-A799 PolarHBondContact O-N 2.86Å; D795-A799 VanDerWaalsContact O-N 3.08Å
796T82.4Confident81.5Confident25 Ų2559.1 Ų59.115%0.15332%0.324CS..Hα-helixtrans-59.5-28.7-177.655.70000112.1S791 M794 L800 V819S791-T796 VanDerWaalsContact O-CG2 3.27Å; S791-T796 WeakPolarHBondContact O-CG2 3.14Å; M794-T796 VanDerWaalsContact C-N 3.34Å; M794-T796 HydrophobicContact CG-CG2 4.16Å; M794-T796 PolarHBondContact O-N 2.8Å; T796-L800 WeakPolarHBondContact O-CB 3.45Å; T796-L800 WeakPolarHBondContact O-CD1 3.41Å; T796-L800 WeakPolarHBondContact O-CG 3.38Å; T796-L800 PolarHBondContact O-N 2.88Å; T796-V819 HydrophobicContact CG2-CG1 3.84Å; T796-V819 HydrophobicContact CG2-CG2 3.99Å
797S83.2Confident81Confident76 Ų7660.4 Ų60.453%0.53133%0.332SS..Hα-helixtrans-66.4-42.2177.876.60000112.3D795 A801D795-S797 PolarHBondContact O-N 3.28Å; D795-S797 WeakPolarHBondContact OD1-CB 3.45Å; D795-S797 PolarHBondContact OD1-N 2.83Å; D795-S797 PolarHBondContact OD1-OG 3.42Å; S797-A801 WeakPolarHBondContact O-CB 3.1Å; S797-A801 PolarHBondContact O-N 3.46Å; S797-A801 VanDerWaalsContact O-N 3.12Å
798K84.2Confident80.7Confident99 Ų9962.9 Ų62.943%0.4335%0.352SS..Hα-helixtrans-71.2-43.1176.6-69.9178.1-172.6140.60111.7L751 D795 L800 A801 E802L751-K798 HydrophobicContact CD1-CB 4.05Å; L751-K798 HydrophobicContact CD2-CB 4.11Å; L751-K798 HydrophobicContact CD2-CD 3.94Å; D795-K798 HydrophobicContact CB-CB 4.33Å; D795-K798 HydrophobicContact CB-CD 4.16Å; D795-K798 HydrophobicContact CB-CG 4.37Å; D795-K798 PolarHBondContact O-N 3.31Å; D795-K798 VanDerWaalsContact O-N 3.17Å; D795-K798 PolarHBondContact OD1-N 2.83Å; D795-K798 WeakPolarHBondContact OD2-CD 3.42Å; D795-K798 WeakPolarHBondContact OD2-CE 3.33Å; D795-K798 WeakPolarHBondContact OD2-CG 3.42Å; D795-K798 IonicContact OD2-NZ 3.6Å; D795-K798 PolarHBondContact OD2-NZ 3.5Å; K798-L800 VanDerWaalsContact C-N 3.28Å; K798-L800 PolarHBondContact O-N 2.83Å; K798-A801 PolarHBondContact O-N 3.34Å; K798-E802 PolarHBondContact O-N 2.75Å
799A83.9Confident80.4Confident0 Ų065.5 Ų65.50%037%0.37CS..Hα-helixtrans-57.2-44.417600000111L751 F754 L787 M794 D795 A801 E802L751-A799 HydrophobicContact CD1-CB 3.87Å; F754-A799 HydrophobicContact CD1-CB 3.88Å; F754-A799 HydrophobicContact CE1-CB 3.69Å; F754-A799 WeakPolarHBondContact CE1-O 3.25Å; F754-A799 HydrophobicContact CG-CB 4.44Å; F754-A799 HydrophobicContact CZ-CB 4.11Å; L787-A799 HydrophobicContact CD1-CB 4.38Å; M794-A799 HydrophobicContact SD-CB 4.11Å; D795-A799 PolarHBondContact O-N 2.86Å; D795-A799 VanDerWaalsContact O-N 3.08Å; A799-A801 PolarHBondContact O-N 2.97Å; A799-E802 PolarHBondContact O-N 2.8Å
800L82.7Confident80.3Confident64 Ų6464.3 Ų64.334%0.33538%0.376SS..Hα-helixtrans-68.6-32.4178.9-69.2172.4000113.3L787 T796 K798 E802 L803 L816L787-L800 HydrophobicContact CD2-CD2 4.4Å; T796-L800 WeakPolarHBondContact O-CB 3.45Å; T796-L800 WeakPolarHBondContact O-CD1 3.41Å; T796-L800 WeakPolarHBondContact O-CG 3.38Å; T796-L800 PolarHBondContact O-N 2.88Å; K798-L800 VanDerWaalsContact C-N 3.28Å; K798-L800 PolarHBondContact O-N 2.83Å; L800-E802 VanDerWaalsContact C-N 3.29Å; L800-E802 PolarHBondContact O-N 3.3Å; L800-L803 HydrophobicContact CD2-CD1 3.7Å; L800-L816 HydrophobicContact CD1-CD2 4.07Å; L800-L816 HydrophobicContact CD2-CD2 3.65Å
801A84.6Confident80.1Confident84 Ų8467.2 Ų67.269%0.69439%0.394SS*.Hα-helixtrans-69.2-25.3177.600000113.5S797 K798 A799S797-A801 WeakPolarHBondContact O-CB 3.1Å; S797-A801 PolarHBondContact O-N 3.46Å; S797-A801 VanDerWaalsContact O-N 3.12Å; K798-A801 PolarHBondContact O-N 3.34Å; A799-A801 PolarHBondContact O-N 2.97Å
802E80.8Confident80.1Confident67 Ų6767.9 Ų67.931%0.31340%0.397SS..Hα-helixtrans-89.6-10.5-178.9-72.2-167-145.500114.7Q755 K798 A799 L800 S804Q755-E802 VanDerWaalsContact CG-OE2 3.3Å; Q755-E802 WeakPolarHBondContact CG-OE2 3.22Å; Q755-E802 PolarHBondContact NE2-OE1 3.11Å; K798-E802 PolarHBondContact O-N 2.75Å; A799-E802 PolarHBondContact O-N 2.8Å; L800-E802 VanDerWaalsContact C-N 3.29Å; L800-E802 PolarHBondContact O-N 3.3Å; E802-S804 PolarHBondContact O-N 3.1Å; E802-S804 VanDerWaalsContact O-N 3.13Å
803L79.4Confident80.2Confident30 Ų3066.2 Ų66.216%0.15739%0.392CS..SBendtrans-63.5115.9174.5-76.3158.7000109.6F754 I758 L800 V807 L812F754-L803 HydrophobicContact CZ-CD1 4.32Å; F754-L803 HydrophobicContact CZ-CD2 4.01Å; F754-L803 HydrophobicContact CZ-CG 4.01Å; I758-L803 HydrophobicContact CD1-CD2 3.82Å; I758-L803 HydrophobicContact CD1-CG 4.27Å; L800-L803 HydrophobicContact CD2-CD1 3.7Å; L803-V807 HydrophobicContact CD2-CG2 4.06Å; L803-L812 HydrophobicContact CD1-CD2 4.01Å; L803-L812 HydrophobicContact CD2-CD2 4.49Å
804S69.6Low80.5Confident44 Ų4466.2 Ų66.231%0.30840%0.398SS..  trans-60.5148.4173.168.40000110.6E802 N806 V807E802-S804 PolarHBondContact O-N 3.1Å; E802-S804 VanDerWaalsContact O-N 3.13Å; S804-N806 PolarHBondContact O-N 3.21Å; S804-V807 PolarHBondContact O-N 3.08Å
805S69.5Low80.6Confident123 Ų12365.8 Ų65.886%0.8640%0.397SS*.THydrogen-bonded Turntrans-61.53.8177.856.10000115.4
806N71.2Confident80.7Confident138 Ų13865.6 Ų65.674%0.73840%0.395SS*.THydrogen-bonded Turntrans-94.5-4.8-178.7-68.3-9000113.8S804S804-N806 PolarHBondContact O-N 3.21Å
807V76.8Confident81Confident27 Ų2770.4 Ų70.416%0.16442%0.416CS..SBendtrans-80.1129.2177.5-176.20000109.5V780 L803 S804 L809 L812V780-V807 HydrophobicContact CG1-CG2 4.06Å; L803-V807 HydrophobicContact CD2-CG2 4.06Å; S804-V807 PolarHBondContact O-N 3.08Å; V807-L809 PolarHBondContact O-N 2.99Å; V807-L812 HydrophobicContact CG1-CD1 4.23Å; V807-L812 HydrophobicContact CG1-CD2 4.13Å; V807-L812 HydrophobicContact CG1-CG 3.98Å
808A80.3Confident81.2Confident52 Ų5270.1 Ų70.143%0.4341%0.406SS..  trans-66.5132.1178.400000110.4A810 D811A808-A810 PolarHBondContact O-N 3.39Å; A808-A810 VanDerWaalsContact O-N 3.1Å; A808-D811 PolarHBondContact O-N 2.84Å
809L78.7Confident81.3Confident146 Ų14665.9 Ų65.976%0.76439%0.388SS*.Hα-helixtrans-58.2-28.2179.8-161.382000112.5V807 D811 L812 S813V807-L809 PolarHBondContact O-N 2.99Å; L809-D811 VanDerWaalsContact C-N 3.31Å; L809-D811 PolarHBondContact O-N 3.01Å; L809-L812 PolarHBondContact O-N 2.94Å; L809-S813 PolarHBondContact O-N 2.9Å
810A82.8Confident81.5Confident72 Ų7270.6 Ų70.660%0.59541%0.412SS*.Hα-helixtrans-59.1-41.3176.200000112.1A808 L812 S813A808-A810 PolarHBondContact O-N 3.39Å; A808-A810 VanDerWaalsContact O-N 3.1Å; A810-L812 VanDerWaalsContact C-N 3.26Å; A810-L812 PolarHBondContact O-N 2.86Å; A810-S813 WeakPolarHBondContact O-CB 3.13Å; A810-S813 PolarHBondContact O-N 2.95Å; A810-S813 PolarHBondContact O-OG 3.03Å
811D81Confident81.8Confident92 Ų9272.2 Ų72.249%0.49242%0.421SS..Hα-helixtrans-73.7-20.2-178.2-56.1-29.3000112.1L784 A808 L809 P815L784-D811 HydrophobicContact CD1-CB 3.89Å; A808-D811 PolarHBondContact O-N 2.84Å; L809-D811 VanDerWaalsContact C-N 3.31Å; L809-D811 PolarHBondContact O-N 3.01Å; D811-P815 WeakPolarHBondContact O-CD 3.45Å
812L82.3Confident81.9Confident19 Ų1968.8 Ų68.810%0.09939%0.391CS..Hα-helixtrans-86.4-15.2177.3-66.3172000113.5L784 L803 V807 L809 A810 I814 P815 L816L784-L812 HydrophobicContact CD2-CD2 3.61Å; L803-L812 HydrophobicContact CD1-CD2 4.01Å; L803-L812 HydrophobicContact CD2-CD2 4.49Å; V807-L812 HydrophobicContact CG1-CD1 4.23Å; V807-L812 HydrophobicContact CG1-CD2 4.13Å; V807-L812 HydrophobicContact CG1-CG 3.98Å; L809-L812 PolarHBondContact O-N 2.94Å; A810-L812 VanDerWaalsContact C-N 3.26Å; A810-L812 PolarHBondContact O-N 2.86Å; L812-I814 PolarHBondContact O-N 3.16Å; L812-P815 WeakPolarHBondContact O-CD 3.43Å; L812-L816 HydrophobicContact CB-CD1 3.84Å; L812-L816 HydrophobicContact CB-CG 4.26Å; L812-L816 WeakPolarHBondContact O-CB 3.4Å; L812-L816 WeakPolarHBondContact O-CD1 3.09Å; L812-L816 WeakPolarHBondContact O-CG 3.32Å; L812-L816 PolarHBondContact O-N 2.85Å
813S84.4Confident82.2Confident53 Ų5368.4 Ų68.437%0.37139%0.393SS..Hα-helixtrans-58.2-46.8-173.1620000113.3L809 A810 Q817L809-S813 PolarHBondContact O-N 2.9Å; A810-S813 WeakPolarHBondContact O-CB 3.13Å; A810-S813 PolarHBondContact O-N 2.95Å; A810-S813 PolarHBondContact O-OG 3.03Å; S813-Q817 VanDerWaalsContact O-CG 3.28Å; S813-Q817 WeakPolarHBondContact O-CG 3.23Å; S813-Q817 PolarHBondContact O-N 2.94Å
814I87Confident82.7Confident104 Ų10470.5 Ų70.553%0.53340%0.404SS..Hα-helixtrans-72.2-50.3-178.6-62.9167.2000111.4F788 L812 L816 Q817 K818F788-I814 HydrophobicContact CD2-CG2 3.73Å; F788-I814 HydrophobicContact CE2-CG2 3.46Å; F788-I814 VanDerWaalsContact CE2-CG2 3.46Å; F788-I814 HydrophobicContact CZ-CG2 4.34Å; L812-I814 PolarHBondContact O-N 3.16Å; I814-L816 VanDerWaalsContact C-N 3.34Å; I814-L816 PolarHBondContact O-N 2.74Å; I814-Q817 PolarHBondContact O-N 3.01Å; I814-K818 PolarHBondContact O-N 2.76Å
815P84.9Confident83.5Confident8 Ų872.2 Ų72.25%0.05241%0.409CS..Hα-helixtrans-57.6-41.2174.8-25.433.3000113.7L787 F788 D811 L812 K818 V819L787-P815 HydrophobicContact CD2-CB 3.87Å; L787-P815 HydrophobicContact CG-CB 4.11Å; F788-P815 HydrophobicContact CB-CB 4.49Å; F788-P815 HydrophobicContact CB-CG 4.43Å; D811-P815 WeakPolarHBondContact O-CD 3.45Å; L812-P815 WeakPolarHBondContact O-CD 3.43Å; P815-K818 PolarHBondContact O-N 2.88Å; P815-V819 WeakPolarHBondContact O-CG2 3.4Å; P815-V819 PolarHBondContact O-N 3.32Å
816L85.7Confident84.3Confident54 Ų5469.6 Ų69.628%0.28339%0.388SS..Hα-helixtrans-67-39.4-179.7-73.6172.9000112.7L800 L812 I814 K818 V819 I820L800-L816 HydrophobicContact CD1-CD2 4.07Å; L800-L816 HydrophobicContact CD2-CD2 3.65Å; L812-L816 HydrophobicContact CB-CD1 3.84Å; L812-L816 HydrophobicContact CB-CG 4.26Å; L812-L816 WeakPolarHBondContact O-CB 3.4Å; L812-L816 WeakPolarHBondContact O-CD1 3.09Å; L812-L816 WeakPolarHBondContact O-CG 3.32Å; L812-L816 PolarHBondContact O-N 2.85Å; I814-L816 VanDerWaalsContact C-N 3.34Å; I814-L816 PolarHBondContact O-N 2.74Å; L816-K818 VanDerWaalsContact C-N 3.27Å; L816-K818 PolarHBondContact O-N 3.33Å; L816-V819 PolarHBondContact O-N 2.85Å; L816-I820 VanDerWaalsContact O-CG1 3.29Å; L816-I820 WeakPolarHBondContact O-CG1 3.47Å; L816-I820 PolarHBondContact O-N 2.97Å
817Q87.6Confident85.1Confident126 Ų12667.1 Ų67.159%0.58938%0.378SS*.Hα-helixtrans-58.3-43.7173.5-76.91731000111S813 I814 I820 L821S813-Q817 VanDerWaalsContact O-CG 3.28Å; S813-Q817 WeakPolarHBondContact O-CG 3.23Å; S813-Q817 PolarHBondContact O-N 2.94Å; I814-Q817 PolarHBondContact O-N 3.01Å; Q817-I820 PolarHBondContact O-N 3.11Å; Q817-L821 WeakPolarHBondContact O-CG 3.34Å; Q817-L821 PolarHBondContact O-N 3.05Å; Q817-L821 VanDerWaalsContact O-N 3.1Å
818K87.2Confident85.8Confident71 Ų7174.2 Ų74.231%0.30940%0.402SS..Hα-helixtrans-65.7-44.2178.6-178.250.8177.5160.70112.2F788 I814 P815 L816 I820 L821 D822F788-K818 HydrophobicContact CD2-CB 3.98Å; F788-K818 HydrophobicContact CD2-CG 4.2Å; F788-K818 HydrophobicContact CE2-CB 4.14Å; F788-K818 HydrophobicContact CE2-CG 4.34Å; F788-K818 WeakPolarHBondContact O-CG 3.35Å; I814-K818 PolarHBondContact O-N 2.76Å; P815-K818 PolarHBondContact O-N 2.88Å; L816-K818 VanDerWaalsContact C-N 3.27Å; L816-K818 PolarHBondContact O-N 3.33Å; K818-I820 VanDerWaalsContact C-N 3.32Å; K818-I820 PolarHBondContact O-N 2.96Å; K818-L821 PolarHBondContact O-N 2.74Å; K818-D822 WeakPolarHBondContact CE-OD1 3.27Å; K818-D822 IonicContact NZ-OD1 3.91Å; K818-D822 PolarHBondContact NZ-OD1 2.86Å; K818-D822 IonicContact NZ-OD2 2.65Å; K818-D822 PolarHBondContact O-N 3.39Å
819V87.9Confident86.2Confident10 Ų1077.3 Ų77.36%0.06141%0.408CS..Hα-helixtrans-55.6-46.1173.5167.70000111.4L787 T796 P815 L816 L821 D822 T823L787-V819 HydrophobicContact CD1-CG2 4Å; L787-V819 HydrophobicContact CG-CG2 4.29Å; T796-V819 HydrophobicContact CG2-CG1 3.84Å; T796-V819 HydrophobicContact CG2-CG2 3.99Å; P815-V819 WeakPolarHBondContact O-CG2 3.4Å; P815-V819 PolarHBondContact O-N 3.32Å; L816-V819 PolarHBondContact O-N 2.85Å; V819-L821 PolarHBondContact O-N 3.08Å; V819-D822 PolarHBondContact O-N 3.38Å; V819-T823 HydrophobicContact CG1-CG2 4.48Å; V819-T823 VanDerWaalsContact O-CG2 3.32Å; V819-T823 WeakPolarHBondContact O-CG2 3.32Å; V819-T823 PolarHBondContact O-N 3.08Å; V819-T823 PolarHBondContact O-OG1 2.85Å
820I87.4Confident86.7Confident98 Ų9873.2 Ų73.250%0.50340%0.395SS..Hα-helixtrans-61.3-46.7179.3-68.6164.3000110.9L816 Q817 K818 D822 T823 L824L816-I820 VanDerWaalsContact O-CG1 3.29Å; L816-I820 WeakPolarHBondContact O-CG1 3.47Å; L816-I820 PolarHBondContact O-N 2.97Å; Q817-I820 PolarHBondContact O-N 3.11Å; K818-I820 VanDerWaalsContact C-N 3.32Å; K818-I820 PolarHBondContact O-N 2.96Å; I820-D822 PolarHBondContact O-N 2.77Å; I820-T823 WeakPolarHBondContact CA-OG1 3.1Å; I820-T823 PolarHBondContact O-N 2.76Å; I820-T823 PolarHBondContact O-OG1 2.97Å; I820-L824 HydrophobicContact CG2-CD1 4.2Å; I820-L824 WeakPolarHBondContact O-CG 3.43Å; I820-L824 PolarHBondContact O-N 2.79Å; I820-L824 VanDerWaalsContact O-N 3.08Å
821L89.7Confident87.1Confident99 Ų9971 Ų7152%0.51838%0.38SS..Hα-helixtrans-60.2-46.9179-69.5171000111.5Q817 K818 V819 T823 L824 D825Q817-L821 WeakPolarHBondContact O-CG 3.34Å; Q817-L821 PolarHBondContact O-N 3.05Å; Q817-L821 VanDerWaalsContact O-N 3.1Å; K818-L821 PolarHBondContact O-N 2.74Å; V819-L821 PolarHBondContact O-N 3.08Å; L821-T823 VanDerWaalsContact C-N 3.32Å; L821-T823 PolarHBondContact O-N 3.13Å; L821-L824 PolarHBondContact O-N 2.85Å; L821-L824 VanDerWaalsContact O-N 3.14Å; L821-D825 PolarHBondContact O-N 2.81Å
822D86.8Confident87.7Confident12 Ų1272.4 Ų72.46%0.06439%0.386CS..Hα-helixtrans-64.2-35.8179.4-71.9-3.2000112.4S791 N792 K818 V819 I820 T826S791-D822 PolarHBondContact OG-OD2 2.88Å; N792-D822 HydrophobicContact CB-CB 4.21Å; N792-D822 PolarHBondContact N-OD2 3.46Å; K818-D822 WeakPolarHBondContact CE-OD1 3.27Å; K818-D822 IonicContact NZ-OD1 3.91Å; K818-D822 PolarHBondContact NZ-OD1 2.86Å; K818-D822 IonicContact NZ-OD2 2.65Å; K818-D822 PolarHBondContact O-N 3.39Å; V819-D822 PolarHBondContact O-N 3.38Å; I820-D822 PolarHBondContact O-N 2.77Å; D822-T826 WeakPolarHBondContact O-CB 3.24Å; D822-T826 WeakPolarHBondContact O-CG2 3.28Å; D822-T826 PolarHBondContact O-N 3.44Å; D822-T826 PolarHBondContact O-OG1 3.19Å
823T85.9Confident88.2Confident58 Ų5878.2 Ų78.236%0.35641%0.411SS..Hα-helixtrans-67.2-34.6174.857.40000112.8V819 I820 L821 T826 T827V819-T823 HydrophobicContact CG1-CG2 4.48Å; V819-T823 VanDerWaalsContact O-CG2 3.32Å; V819-T823 WeakPolarHBondContact O-CG2 3.32Å; V819-T823 PolarHBondContact O-N 3.08Å; V819-T823 PolarHBondContact O-OG1 2.85Å; I820-T823 WeakPolarHBondContact CA-OG1 3.1Å; I820-T823 PolarHBondContact O-N 2.76Å; I820-T823 PolarHBondContact O-OG1 2.97Å; L821-T823 VanDerWaalsContact C-N 3.32Å; L821-T823 PolarHBondContact O-N 3.13Å; T823-T826 WeakPolarHBondContact CA-OG1 3.42Å; T823-T826 PolarHBondContact O-OG1 2.94Å; T823-T827 WeakPolarHBondContact O-CG2 3.41Å; T823-T827 PolarHBondContact O-N 2.86Å; T823-T827 PolarHBondContact O-OG1 2.76Å
824L89.2Confident88.7Confident75 Ų7583.1 Ų83.139%0.39342%0.421SS..Hα-helixtrans-68.5-47.1175.8-72169.9000110.8I820 L821 T826 T827 W828I820-L824 HydrophobicContact CG2-CD1 4.2Å; I820-L824 WeakPolarHBondContact O-CG 3.43Å; I820-L824 PolarHBondContact O-N 2.79Å; I820-L824 VanDerWaalsContact O-N 3.08Å; L821-L824 PolarHBondContact O-N 2.85Å; L821-L824 VanDerWaalsContact O-N 3.14Å; L824-T826 PolarHBondContact O-N 2.8Å; L824-T827 PolarHBondContact O-N 3.09Å; L824-T827 PolarHBondContact O-OG1 2.98Å; L824-W828 PolarHBondContact O-N 2.59Å; L824-W828 VanDerWaalsContact O-N 3.09Å
825D88.2Confident89Confident79 Ų7982.3 Ų82.342%0.42242%0.418SS..Hα-helixtrans-60-47.3-179.6-72-18.8000111.7L821 T827 W828 E829L821-D825 PolarHBondContact O-N 2.81Å; D825-T827 VanDerWaalsContact C-N 3.35Å; D825-T827 PolarHBondContact O-N 2.87Å; D825-W828 PolarHBondContact O-N 2.88Å; D825-E829 PolarHBondContact O-N 2.81Å
826T86Confident89.5Confident68 Ų6885.1 Ų85.142%0.41744%0.435SS..Hα-helixtrans-61.3-39.4177.648.40000113D822 T823 L824 A830D822-T826 WeakPolarHBondContact O-CB 3.24Å; D822-T826 WeakPolarHBondContact O-CG2 3.28Å; D822-T826 PolarHBondContact O-N 3.44Å; D822-T826 PolarHBondContact O-OG1 3.19Å; T823-T826 WeakPolarHBondContact CA-OG1 3.42Å; T823-T826 PolarHBondContact O-OG1 2.94Å; L824-T826 PolarHBondContact O-N 2.8Å; T826-A830 WeakPolarHBondContact O-CB 3.42Å; T826-A830 PolarHBondContact O-N 3.12Å; T826-A830 VanDerWaalsContact O-N 3.08Å
827T88.1Confident89.9Confident87 Ų8787 Ų8753%0.53445%0.448SS..Hα-helixtrans-66.4-38.417761.60000112.7T823 L824 D825 G831T823-T827 WeakPolarHBondContact O-CG2 3.41Å; T823-T827 PolarHBondContact O-N 2.86Å; T823-T827 PolarHBondContact O-OG1 2.76Å; L824-T827 PolarHBondContact O-N 3.09Å; L824-T827 PolarHBondContact O-OG1 2.98Å; D825-T827 VanDerWaalsContact C-N 3.35Å; D825-T827 PolarHBondContact O-N 2.87Å; T827-G831 PolarHBondContact O-N 3.46Å; T827-G831 VanDerWaalsContact O-N 3.12Å
828W90.1Very high90.2Very high175 Ų17586.3 Ų86.366%0.66345%0.445SS*.Hα-helixtrans-67-45.2176.5-74.1-19.2000112.2L824 D825 A830 G831 L832L824-W828 PolarHBondContact O-N 2.59Å; L824-W828 VanDerWaalsContact O-N 3.09Å; D825-W828 PolarHBondContact O-N 2.88Å; W828-A830 PolarHBondContact O-N 2.93Å; W828-G831 PolarHBondContact O-N 3.36Å; W828-L832 PolarHBondContact O-N 3.15Å
829E88.8Confident90.6Very high117 Ų11787.7 Ų87.755%0.54745%0.454SS..Hα-helixtrans-62-44.3177.9-72.6-172.8175.300112.7D825 G831 L832 K833D825-E829 PolarHBondContact O-N 2.81Å; E829-G831 VanDerWaalsContact C-N 3.32Å; E829-G831 PolarHBondContact O-N 2.88Å; E829-L832 PolarHBondContact O-N 2.84Å; E829-K833 WeakPolarHBondContact O-CG 3.42Å; E829-K833 PolarHBondContact O-N 2.93Å
830A89Confident90.9Very high61 Ų6191.3 Ų91.350%0.50447%0.473SS..Hα-helixtrans-62.5-40.3177.300000111.9T826 W828 K833 R834T826-A830 WeakPolarHBondContact O-CB 3.42Å; T826-A830 PolarHBondContact O-N 3.12Å; T826-A830 VanDerWaalsContact O-N 3.08Å; W828-A830 PolarHBondContact O-N 2.93Å; A830-K833 PolarHBondContact O-N 2.82Å; A830-R834 PolarHBondContact O-N 3.39Å; A830-R834 VanDerWaalsContact O-N 3.08Å
831G92.9Very high91.2Very high26 Ų2692 Ų9227%0.26847%0.473SS..Hα-helixtrans-61.1-42.8175.200000112.7T827 W828 E829 N835T827-G831 PolarHBondContact O-N 3.46Å; T827-G831 VanDerWaalsContact O-N 3.12Å; W828-G831 PolarHBondContact O-N 3.36Å; E829-G831 VanDerWaalsContact C-N 3.32Å; E829-G831 PolarHBondContact O-N 2.88Å; G831-N835 VanDerWaalsContact O-CG 3.22Å; G831-N835 PolarHBondContact O-N 2.81Å; G831-N835 PolarHBondContact O-ND2 3.48Å
832L93.8Very high91.5Very high120 Ų12090 Ų9063%0.62847%0.472SS*.Hα-helixtrans-65.1-48.8177.6-174.867.8000111.8W828 E829 R834 N835 V836W828-L832 PolarHBondContact O-N 3.15Å; E829-L832 PolarHBondContact O-N 2.84Å; L832-R834 PolarHBondContact O-N 3.15Å; L832-N835 PolarHBondContact O-N 3.18Å; L832-V836 WeakPolarHBondContact O-CG2 3.17Å; L832-V836 PolarHBondContact O-N 2.79Å; L832-V836 VanDerWaalsContact O-N 3.15Å
833K92.6Very high91.8Very high142 Ų14294.7 Ų94.762%0.61749%0.493SS*.Hα-helixtrans-56.5-48.1178.7-75.1177.7-176.9171.30111.4E829 A830 N835 V836 T837E829-K833 WeakPolarHBondContact O-CG 3.42Å; E829-K833 PolarHBondContact O-N 2.93Å; A830-K833 PolarHBondContact O-N 2.82Å; K833-N835 PolarHBondContact O-N 2.86Å; K833-V836 PolarHBondContact O-N 2.84Å; K833-T837 PolarHBondContact O-N 2.98Å; K833-T837 PolarHBondContact O-OG1 3.19Å; K833-T837 VanDerWaalsContact O-OG1 3.13Å
834R93.5Very high92.1Very high156 Ų15696.6 Ų96.659%0.58951%0.505SS*.Hα-helixtrans-56.2-50.6179-175.5-174.967.81593.1112A830 L832 V836 T837 E838A830-R834 PolarHBondContact O-N 3.39Å; A830-R834 VanDerWaalsContact O-N 3.08Å; L832-R834 PolarHBondContact O-N 3.15Å; R834-V836 VanDerWaalsContact C-N 3.3Å; R834-V836 PolarHBondContact O-N 2.49Å; R834-T837 PolarHBondContact O-N 3.09Å; R834-E838 WeakPolarHBondContact O-CG 3.44Å; R834-E838 PolarHBondContact O-N 2.79Å
835N93.6Very high92.3Very high86 Ų8697.4 Ų97.446%0.4651%0.506SS..Hα-helixtrans-63.4-36.6-176.5-66-15.8000111.9G831 L832 K833 M839G831-N835 VanDerWaalsContact O-CG 3.22Å; G831-N835 PolarHBondContact O-N 2.81Å; G831-N835 PolarHBondContact O-ND2 3.48Å; L832-N835 PolarHBondContact O-N 3.18Å; K833-N835 PolarHBondContact O-N 2.86Å; N835-M839 PolarHBondContact O-N 2.8Å
836V95.4Very high92.5Very high68 Ų6896.5 Ų96.541%0.41251%0.51SS..Hα-helixtrans-69-43.7176174.10000111.5L832 K833 R834 M839 L840L832-V836 WeakPolarHBondContact O-CG2 3.17Å; L832-V836 PolarHBondContact O-N 2.79Å; L832-V836 VanDerWaalsContact O-N 3.15Å; K833-V836 PolarHBondContact O-N 2.84Å; R834-V836 VanDerWaalsContact C-N 3.3Å; R834-V836 PolarHBondContact O-N 2.49Å; V836-M839 WeakPolarHBondContact O-CB 3.43Å; V836-M839 PolarHBondContact O-N 3.16Å; V836-L840 HydrophobicContact CG1-CD1 4.22Å; V836-L840 PolarHBondContact O-N 2.63Å; V836-L840 VanDerWaalsContact O-N 3.07Å
837T93.8Very high92.6Very high92 Ų9296 Ų9656%0.56451%0.509SS*.Hα-helixtrans-64-41.8178.5-58.90000112.2K833 R834 M839 L840 H841K833-T837 PolarHBondContact O-N 2.98Å; K833-T837 PolarHBondContact O-OG1 3.19Å; K833-T837 VanDerWaalsContact O-OG1 3.13Å; R834-T837 PolarHBondContact O-N 3.09Å; T837-M839 VanDerWaalsContact C-N 3.32Å; T837-M839 PolarHBondContact O-N 2.89Å; T837-L840 PolarHBondContact O-N 2.8Å; T837-H841 WeakPolarHBondContact O-CB 3.49Å; T837-H841 PolarHBondContact O-N 2.9Å
838E94.8Very high92.7Very high112 Ų11299.4 Ų99.452%0.52351%0.512SS..Hα-helixtrans-58.9-43.2175.5-75.5175.7-17800111.7R834 H841 A842R834-E838 WeakPolarHBondContact O-CG 3.44Å; R834-E838 PolarHBondContact O-N 2.79Å; E838-H841 PolarHBondContact O-N 2.95Å; E838-A842 PolarHBondContact O-N 2.84Å; E838-A842 VanDerWaalsContact O-N 3.12Å
839M95.6Very high92.7Very high100 Ų10097.2 Ų97.249%0.49351%0.511SS..Hα-helixtrans-61.7-47.6176.3-177.3-163.47200112.2N835 V836 T837 A842 Q843N835-M839 PolarHBondContact O-N 2.8Å; V836-M839 WeakPolarHBondContact O-CB 3.43Å; V836-M839 PolarHBondContact O-N 3.16Å; T837-M839 VanDerWaalsContact C-N 3.32Å; T837-M839 PolarHBondContact O-N 2.89Å; M839-A842 PolarHBondContact O-N 2.87Å; M839-Q843 PolarHBondContact O-N 2.75Å
840L94.3Very high92.7Very high87 Ų8797.9 Ų97.946%0.45551%0.514SS..Hα-helixtrans-65.4-40179.5-71.5172.9000112V836 T837 A842 Q843 V844V836-L840 HydrophobicContact CG1-CD1 4.22Å; V836-L840 PolarHBondContact O-N 2.63Å; V836-L840 VanDerWaalsContact O-N 3.07Å; T837-L840 PolarHBondContact O-N 2.8Å; L840-A842 VanDerWaalsContact C-N 3.32Å; L840-A842 PolarHBondContact O-N 3.27Å; L840-Q843 PolarHBondContact O-N 3.47Å; L840-V844 WeakPolarHBondContact O-CG2 3.05Å; L840-V844 PolarHBondContact O-N 2.86Å
841H94Very high92.4Very high111 Ų111101.9 Ų101.951%0.51452%0.516SS..Hα-helixtrans-59.7-43.7176.4-175.672.1000111.7T837 E838 Q843 V844 Q845T837-H841 WeakPolarHBondContact O-CB 3.49Å; T837-H841 PolarHBondContact O-N 2.9Å; E838-H841 PolarHBondContact O-N 2.95Å; H841-Q843 PolarHBondContact O-N 3.34Å; H841-V844 PolarHBondContact O-N 3.49Å; H841-Q845 PolarHBondContact NE2-NE2 3.3Å; H841-Q845 PolarHBondContact O-N 2.8Å
842A94.5Very high91.9Very high58 Ų58106.8 Ų106.848%0.47953%0.532SS..Hα-helixtrans-61.6-41.6177.200000112.2E838 M839 L840 A846E838-A842 PolarHBondContact O-N 2.84Å; E838-A842 VanDerWaalsContact O-N 3.12Å; M839-A842 PolarHBondContact O-N 2.87Å; L840-A842 VanDerWaalsContact C-N 3.32Å; L840-A842 PolarHBondContact O-N 3.27Å; A842-A846 PolarHBondContact O-N 3.29Å; A842-A846 VanDerWaalsContact O-N 3.12Å
843Q94.5Very high91.4Very high111 Ų111104.1 Ų104.152%0.51953%0.533SS..Hα-helixtrans-63.2-47.3176.1-72.3-179.3-9.700112.3M839 L840 H841 Q845 A846 S847M839-Q843 PolarHBondContact O-N 2.75Å; L840-Q843 PolarHBondContact O-N 3.47Å; H841-Q843 PolarHBondContact O-N 3.34Å; Q843-Q845 PolarHBondContact O-N 3.12Å; Q843-A846 WeakPolarHBondContact O-CB 3.28Å; Q843-A846 PolarHBondContact O-N 3.26Å; Q843-S847 PolarHBondContact O-N 2.91Å; Q843-S847 VanDerWaalsContact O-N 3.12Å; Q843-S847 PolarHBondContact O-OG 2.82Å
844V91.5Very high90.9Very high98 Ų98101.7 Ų101.759%0.59452%0.524SS*.Hα-helixtrans-65-39.1180173.70000111.5L840 H841 A846 S847 R848L840-V844 WeakPolarHBondContact O-CG2 3.05Å; L840-V844 PolarHBondContact O-N 2.86Å; H841-V844 PolarHBondContact O-N 3.49Å; V844-A846 VanDerWaalsContact C-N 3.33Å; V844-A846 PolarHBondContact O-N 3.4Å; V844-S847 PolarHBondContact O-N 3.39Å; V844-R848 WeakPolarHBondContact O-CB 2.93Å; V844-R848 PolarHBondContact O-N 2.85Å
845Q93Very high90.2Very high91 Ų91105.6 Ų105.643%0.42554%0.539SS..Hα-helixtrans-59.7-43.6173.7-83.9-162.1-3.700111.9H841 Q843 S847 R848 M849H841-Q845 PolarHBondContact NE2-NE2 3.3Å; H841-Q845 PolarHBondContact O-N 2.8Å; Q843-Q845 PolarHBondContact O-N 3.12Å; Q845-S847 PolarHBondContact O-N 2.81Å; Q845-R848 PolarHBondContact O-N 2.93Å; Q845-M849 WeakPolarHBondContact O-CG 3.45Å; Q845-M849 PolarHBondContact O-N 2.8Å
846A92.7Very high89.4Confident60 Ų60105.1 Ų105.150%0.49654%0.536SS..Hα-helixtrans-60.2-45.717800000111.7A842 Q843 V844 M849 Q850A842-A846 PolarHBondContact O-N 3.29Å; A842-A846 VanDerWaalsContact O-N 3.12Å; Q843-A846 WeakPolarHBondContact O-CB 3.28Å; Q843-A846 PolarHBondContact O-N 3.26Å; V844-A846 VanDerWaalsContact C-N 3.33Å; V844-A846 PolarHBondContact O-N 3.4Å; A846-M849 PolarHBondContact O-N 3.4Å; A846-Q850 PolarHBondContact O-N 3.05Å
847S89.4Confident88.8Confident57 Ų57108.2 Ų108.240%0.39955%0.554SS.*Hα-helixtrans-63.9-40.9175.4-590000112.6Q843 V844 Q845 M849 Q850 W851Q843-S847 PolarHBondContact O-N 2.91Å; Q843-S847 VanDerWaalsContact O-N 3.12Å; Q843-S847 PolarHBondContact O-OG 2.82Å; V844-S847 PolarHBondContact O-N 3.39Å; Q845-S847 PolarHBondContact O-N 2.81Å; S847-M849 PolarHBondContact O-N 3.2Å; S847-Q850 WeakPolarHBondContact O-CB 3.47Å; S847-Q850 PolarHBondContact O-N 2.98Å; S847-W851 PolarHBondContact O-N 2.91Å; S847-W851 VanDerWaalsContact O-N 3.14Å
848R88.8Confident88.1Confident160 Ų160106.5 Ų106.560%0.60454%0.541SS*.Hα-helixtrans-60.6-44.5177.1178.3-178.4171.9-179.11.7111.9V844 Q845 Q850 W851 Q852V844-R848 WeakPolarHBondContact O-CB 2.93Å; V844-R848 PolarHBondContact O-N 2.85Å; Q845-R848 PolarHBondContact O-N 2.93Å; R848-Q850 VanDerWaalsContact C-N 3.28Å; R848-Q850 PolarHBondContact O-N 2.89Å; R848-W851 PolarHBondContact O-N 3.47Å; R848-Q852 HydrophobicContact CG-CG 4.35Å; R848-Q852 WeakPolarHBondContact O-CG 3.35Å; R848-Q852 PolarHBondContact O-N 3.01Å
849M89.9Confident87.5Confident129 Ų129105 Ų10564%0.63554%0.536SS*.Hα-helixtrans-61.1-39.2177.8-71.6-178.7-174.800111.6Q845 A846 S847 G853Q845-M849 WeakPolarHBondContact O-CG 3.45Å; Q845-M849 PolarHBondContact O-N 2.8Å; A846-M849 PolarHBondContact O-N 3.4Å; S847-M849 PolarHBondContact O-N 3.2Å; M849-G853 PolarHBondContact O-N 2.86Å
850Q88.9Confident86.5Confident131 Ų131106.7 Ų106.761%0.61254%0.543SS*.Hα-helixtrans-59.9-49.1175.4-176.7-178.2-6.700111.8A846 S847 R848 G853A846-Q850 PolarHBondContact O-N 3.05Å; S847-Q850 WeakPolarHBondContact O-CB 3.47Å; S847-Q850 PolarHBondContact O-N 2.98Å; R848-Q850 VanDerWaalsContact C-N 3.28Å; R848-Q850 PolarHBondContact O-N 2.89Å; Q850-G853 PolarHBondContact O-N 2.77Å
851W82.2Confident85.8Confident145 Ų145110 Ų11055%0.54956%0.556SS.*Hα-helixtrans-70.2-34.1-178.7-67.8115.5000113.8S847 R848 G853 E854S847-W851 PolarHBondContact O-N 2.91Å; S847-W851 VanDerWaalsContact O-N 3.14Å; R848-W851 PolarHBondContact O-N 3.47Å; W851-G853 PolarHBondContact O-N 3.31Å; W851-E854 PolarHBondContact O-N 3.33Å
852Q83.1Confident85.3Confident129 Ų129105.4 Ų105.460%0.60354%0.537SS*.Hα-helixtrans-70.3-19176.6-73.7-175.1-40.300113.5R848 E854R848-Q852 HydrophobicContact CG-CG 4.35Å; R848-Q852 WeakPolarHBondContact O-CG 3.35Å; R848-Q852 PolarHBondContact O-N 3.01Å; Q852-E854 VanDerWaalsContact C-N 3.32Å
853G83.8Confident84.8Confident64 Ų64107.2 Ų107.266%0.6654%0.535SS*.THydrogen-bonded Turntrans-77.6-11.5176.600000114.7M849 Q850 W851M849-G853 PolarHBondContact O-N 2.86Å; Q850-G853 PolarHBondContact O-N 2.77Å; W851-G853 PolarHBondContact O-N 3.31Å
854E81Confident84.4Confident90 Ų90102 Ų10242%0.42151%0.511SS..  trans-79.5133.2-179.2-65-168.6157.200112.3W851 Q852 R878W851-E854 PolarHBondContact O-N 3.33Å; Q852-E854 VanDerWaalsContact C-N 3.32Å; E854-R878 IonicContact OE2-CZ 3.19Å; E854-R878 IonicContact OE2-NH1 2.7Å; E854-R878 PolarHBondContact OE2-NH1 2.78Å; E854-R878 IonicContact OE2-NH2 3.01Å; E854-R878 PolarHBondContact OE2-NH2 3.44Å
855R79.7Confident84.1Confident238 Ų23899.6 Ų99.690%0.89850%0.501SS*.  trans-118141.9-179.161.6-177.2178.2-159.5-2.2111.5
856I77.3Confident83.6Confident77 Ų7798.4 Ų98.440%0.39550%0.498SS..  trans-124.6139.2179.4-58.3173.2000109.2R878 L884I856-R878 HydrophobicContact CD1-CB 4.26Å; I856-R878 HydrophobicContact CD1-CG 3.55Å; I856-L884 HydrophobicContact CD1-CD2 4.49Å
857V81.7Confident83.2Confident132 Ų13297.7 Ų97.780%0.849%0.489SS*.  trans-102.9120177.5-1780000109
858I80.2Confident82.9Confident56 Ų56100.8 Ų100.829%0.28750%0.497SS..  trans-93.4114.4176.4-63.3-178000108.4S862 I871 F876I858-S862 WeakPolarHBondContact CG2-OG 3.49Å; I858-I871 HydrophobicContact CD1-CG2 4.35Å; I858-I871 HydrophobicContact CG2-CG2 4.48Å; I858-F876 HydrophobicContact CD1-CD1 3.5Å; I858-F876 HydrophobicContact CD1-CD2 4.37Å; I858-F876 HydrophobicContact CD1-CE1 3.12Å; I858-F876 HydrophobicContact CD1-CE2 4.03Å; I858-F876 HydrophobicContact CD1-CG 4.14Å; I858-F876 HydrophobicContact CD1-CZ 3.42Å; I858-F876 VanDerWaalsContact CD1-CZ 3.42Å
859N80.8Confident82.6Confident80 Ų80100.3 Ų100.343%0.42850%0.499SS..  trans-107.3172.3176.564.11.5000111E861 S862N859-E861 PolarHBondContact O-N 2.89Å; N859-E861 PolarHBondContact OD1-N 3.29Å; N859-S862 WeakPolarHBondContact O-CB 3.43Å; N859-S862 PolarHBondContact O-N 3.01Å; N859-S862 PolarHBondContact O-OG 3.01Å; N859-S862 PolarHBondContact OD1-N 3.33Å
860H75.7Confident82.3Confident136 Ų136100.5 Ų100.563%0.6350%0.496SS*.THydrogen-bonded Turntrans-64.8-9.3179.5-63.3-58.3000114.9K870 D872H860-K870 WeakPolarHBondContact O-CD 3.24Å; H860-K870 VanDerWaalsContact O-CE 3.32Å; H860-K870 WeakPolarHBondContact O-CE 3.37Å; H860-D872 IonicContact ND1-OD1 3.64Å
861E79.2Confident82.1Confident157 Ų15794.4 Ų94.473%0.73447%0.468SS*.THydrogen-bonded Turntrans-94.4-10.8176-62.9-178.4163.400112.7N859 Q863N859-E861 PolarHBondContact O-N 2.89Å; N859-E861 PolarHBondContact OD1-N 3.29Å; E861-Q863 PolarHBondContact O-N 2.79Å
862S82.7Confident81.9Confident15 Ų1591.4 Ų91.411%0.10546%0.463CS..  trans-67.4117.517962.60000111.3I858 N859 K870 I871I858-S862 WeakPolarHBondContact CG2-OG 3.49Å; N859-S862 WeakPolarHBondContact O-CB 3.43Å; N859-S862 PolarHBondContact O-N 3.01Å; N859-S862 PolarHBondContact O-OG 3.01Å; N859-S862 PolarHBondContact OD1-N 3.33Å; S862-K870 WeakPolarHBondContact O-CA 3.47Å; S862-I871 PolarHBondContact O-N 3.24Å
863Q85.6Confident81.9Confident96 Ų9693 Ų9345%0.44948%0.476SS..BIsolated β-bridgetrans-116.6146.8-178.1-68.4173.417.400110.4E861 K869E861-Q863 PolarHBondContact O-N 2.79Å; Q863-K869 WeakPolarHBondContact CA-O 3.43Å
864C85.7Confident81.7Confident0 Ų092.1 Ų92.10%046%0.459CS..  trans-71.1129.9172.8166.50000110.6N866 C867 Q868 K869 I871 L884 H886C864-N866 VanDerWaalsContact C-N 3.27Å; C864-N866 PolarHBondContact O-N 2.86Å; C864-N866 PolarHBondContact SG-N 2.73Å; C864-N866 VanDerWaalsContact SG-N 3.45Å; C864-C867 VanDerWaalsContact SG-SG 3.69Å; C864-Q868 WeakPolarHBondContact O-CA 3.29Å; C864-Q868 PolarHBondContact O-N 3.18Å; C864-K869 PolarHBondContact N-O 3.44Å; C864-I871 HydrophobicContact CB-CG1 4.36Å; C864-L884 WeakPolarHBondContact CA-O 3.26Å; C864-H886 WeakPolarHBondContact CB-CE1 2.98Å; C864-H886 WeakPolarHBondContact CB-ND1 3.4Å; C864-H886 PolarHBondContact SG-N 2.9Å
865A84.5Confident81.9Confident48 Ų4891.1 Ų91.140%0.39747%0.466SS..THydrogen-bonded Turntrans-58.7-35.5179.800000113.5Q868 L884 V885A865-Q868 PolarHBondContact O-NE2 3.29Å; A865-Q868 VanDerWaalsContact O-NE2 3.16Å; A865-L884 PolarHBondContact N-O 2.86Å; A865-V885 HydrophobicContact CB-CG2 3.95Å
866N84Confident82.2Confident66 Ų6684 Ų8435%0.35344%0.442SS..THydrogen-bonded Turntrans-80.5-41.6-176.5-63.138.9000113.7C864 V885 C889 E893C864-N866 VanDerWaalsContact C-N 3.27Å; C864-N866 PolarHBondContact O-N 2.86Å; C864-N866 PolarHBondContact SG-N 2.73Å; C864-N866 VanDerWaalsContact SG-N 3.45Å; N866-V885 HydrophobicContact CB-CG1 4.3Å; N866-V885 WeakPolarHBondContact OD1-CG1 3.26Å; N866-V885 VanDerWaalsContact OD1-CG2 3.25Å; N866-V885 WeakPolarHBondContact OD1-CG2 3.35Å; N866-C889 HydrophobicContact CB-CB 3.74Å; N866-E893 PolarHBondContact ND2-OE1 3.08Å; N866-E893 PolarHBondContact ND2-OE2 2.97Å
867C84.1Confident82.6Confident46 Ų4681.9 Ų81.931%0.31143%0.433SS..THydrogen-bonded Turntrans-112.9-4.5-174.176.60000114.8C864 K869 H886C864-C867 VanDerWaalsContact SG-SG 3.69Å; C867-K869 PolarHBondContact O-N 3.24Å; C867-H886 VanDerWaalsContact SG-CE1 3.53Å; C867-H886 PolarHBondContact SG-ND1 3.03Å
868Q82.6Confident82.6Confident122 Ų12279.9 Ų79.957%0.5741%0.411SS*.  trans57.612.9-179.7-57.1-68.1-24.800114.4C864 A865C864-Q868 WeakPolarHBondContact O-CA 3.29Å; C864-Q868 PolarHBondContact O-N 3.18Å; A865-Q868 PolarHBondContact O-NE2 3.29Å; A865-Q868 VanDerWaalsContact O-NE2 3.16Å
869K82.1Confident82.8Confident149 Ų14980.6 Ų80.665%0.64841%0.412SS*.  trans-85.8151.4173.9-62.9179.6-177.8-179.30110.4Q863 C864 C867 H886Q863-K869 WeakPolarHBondContact CA-O 3.43Å; C864-K869 PolarHBondContact N-O 3.44Å; C867-K869 PolarHBondContact O-N 3.24Å; K869-H886 PolarHBondContact O-CE1 2.65Å
870K84.6Confident82.5Confident133 Ų13381.4 Ų81.458%0.57843%0.43SS*.BIsolated β-bridgetrans-58.7139.9176.8-65-176.8176-172.30111.5H860 S862 H886H860-K870 WeakPolarHBondContact O-CD 3.24Å; H860-K870 VanDerWaalsContact O-CE 3.32Å; H860-K870 WeakPolarHBondContact O-CE 3.37Å; S862-K870 WeakPolarHBondContact O-CA 3.47Å; K870-H886 PolarHBondContact O-NE2 3.4Å
871I83.2Confident82.7Confident3 Ų380.6 Ų80.62%0.01543%0.43CS..  trans-81.9-54.7178.6-61.2176.5000110.3I858 S862 C864 N873 S874 F876 L884I858-I871 HydrophobicContact CD1-CG2 4.35Å; I858-I871 HydrophobicContact CG2-CG2 4.48Å; S862-I871 PolarHBondContact O-N 3.24Å; C864-I871 HydrophobicContact CB-CG1 4.36Å; I871-N873 PolarHBondContact O-N 3.39Å; I871-N873 VanDerWaalsContact O-N 3.09Å; I871-S874 WeakPolarHBondContact CA-OG 3.13Å; I871-S874 WeakPolarHBondContact O-CB 3.48Å; I871-S874 PolarHBondContact O-N 3.47Å; I871-S874 PolarHBondContact O-OG 3.46Å; I871-F876 HydrophobicContact CD1-CB 4.48Å; I871-F876 HydrophobicContact CG2-CB 3.84Å; I871-F876 HydrophobicContact CG2-CD1 4.08Å; I871-F876 HydrophobicContact CG2-CG 4.18Å; I871-L884 HydrophobicContact CD1-CB 3.44Å; I871-L884 VanDerWaalsContact CD1-CB 3.44Å; I871-L884 HydrophobicContact CD1-CD1 4.09Å; I871-L884 HydrophobicContact CD1-CG 4.38Å
872D78.7Confident82.7Confident83 Ų8374.9 Ų74.944%0.44441%0.413SS..THydrogen-bonded Turntrans49.1-115.2177.3-150.216.5000111.3H860H860-D872 IonicContact ND1-OD1 3.64Å
873N82Confident82.8Confident162 Ų16276.6 Ų76.687%0.86642%0.423SS*.THydrogen-bonded Turntrans-92.47.9178.6-70.7-22.6000115.2I871I871-N873 PolarHBondContact O-N 3.39Å; I871-N873 VanDerWaalsContact O-N 3.09Å
874S80.3Confident82.9Confident46 Ų4673.4 Ų73.432%0.32241%0.409SS..SBendtrans-81.3146.1-179.661.90000112.2I871 F876 H886I871-S874 WeakPolarHBondContact CA-OG 3.13Å; I871-S874 WeakPolarHBondContact O-CB 3.48Å; I871-S874 PolarHBondContact O-N 3.47Å; I871-S874 PolarHBondContact O-OG 3.46Å; S874-F876 PolarHBondContact O-N 3.45Å; S874-H886 PolarHBondContact OG-CD2 3.08Å; S874-H886 PolarHBondContact OG-NE2 2.9Å; S874-H886 VanDerWaalsContact OG-NE2 3.13Å
875A85.7Confident82.9Confident68 Ų6873.5 Ų73.556%0.56241%0.41SS*.  trans-60129.8174.700000110.3Y887A875-Y887 WeakPolarHBondContact O-CB 3.39Å; A875-Y887 PolarHBondContact O-N 2.99Å
876F86.1Confident83.1Confident88 Ų8872.3 Ų72.339%0.38640%0.396SS..EExtended strand (participates in β ladder)trans-128157.9-176.665.3-83.4000111.1I858 I871 S874 L884 V885I858-F876 HydrophobicContact CD1-CD1 3.5Å; I858-F876 HydrophobicContact CD1-CD2 4.37Å; I858-F876 HydrophobicContact CD1-CE1 3.12Å; I858-F876 HydrophobicContact CD1-CE2 4.03Å; I858-F876 HydrophobicContact CD1-CG 4.14Å; I858-F876 HydrophobicContact CD1-CZ 3.42Å; I858-F876 VanDerWaalsContact CD1-CZ 3.42Å; I871-F876 HydrophobicContact CD1-CB 4.48Å; I871-F876 HydrophobicContact CG2-CB 3.84Å; I871-F876 HydrophobicContact CG2-CD1 4.08Å; I871-F876 HydrophobicContact CG2-CG 4.18Å; S874-F876 PolarHBondContact O-N 3.45Å; F876-L884 HydrophobicContact CD2-CD2 3.87Å; F876-L884 HydrophobicContact CE2-CD2 4.2Å; F876-V885 CarbonylContact C-O 3.36Å; F876-V885 VanDerWaalsContact CA-O 3.23Å; F876-V885 WeakPolarHBondContact CA-O 3.3Å
877V86.2Confident83.1Confident34 Ų3474.6 Ų74.621%0.20640%0.4CS..EExtended strand (participates in β ladder)trans-116136.3172.4179.80000107.1V885 Y887 F890V877-V885 PolarHBondContact N-O 3.38Å; V877-V885 PolarHBondContact O-N 3.09Å; V877-Y887 HydrophobicContact CG2-CD2 3.96Å; V877-F890 HydrophobicContact CG2-CB 4.19Å; V877-F890 HydrophobicContact CG2-CD1 4.25Å; V877-F890 HydrophobicContact CG2-CG 4.18Å
878R81.4Confident83.2Confident89 Ų8979.8 Ų79.834%0.33642%0.415SS..EExtended strand (participates in β ladder)trans-106122.3173-177.3-135.2176.1170.4-5.6108.5E854 I856 T883 L884E854-R878 IonicContact OE2-CZ 3.19Å; E854-R878 IonicContact OE2-NH1 2.7Å; E854-R878 PolarHBondContact OE2-NH1 2.78Å; E854-R878 IonicContact OE2-NH2 3.01Å; E854-R878 PolarHBondContact OE2-NH2 3.44Å; I856-R878 HydrophobicContact CD1-CB 4.26Å; I856-R878 HydrophobicContact CD1-CG 3.55Å; R878-T883 WeakPolarHBondContact CA-O 3.49Å; R878-L884 HydrophobicContact CB-CD2 4.1Å; R878-L884 HydrophobicContact CG-CD2 4.23Å
879F83Confident83.2Confident72 Ų7274.9 Ų74.932%0.31639%0.393SS..  trans-80.1165.4171.4-71.2-84.7000111.4D881 G882 T883 V885 F890F879-D881 WeakPolarHBondContact CB-OD1 3.37Å; F879-D881 PolarHBondContact O-N 2.84Å; F879-G882 PolarHBondContact O-N 2.76Å; F879-T883 WeakPolarHBondContact CB-OG1 3.2Å; F879-T883 VanDerWaalsContact CD2-OG1 3.25Å; F879-T883 WeakPolarHBondContact CD2-OG1 3.36Å; F879-T883 PolarHBondContact N-O 3.41Å; F879-V885 HydrophobicContact CD2-CG2 4.14Å; F879-V885 HydrophobicContact CE2-CB 3.97Å; F879-V885 HydrophobicContact CE2-CG2 3.59Å; F879-F890 HydrophobicContact CE1-CD2 4.36Å; F879-F890 HydrophobicContact CE1-CE2 4.19Å; F879-F890 AromaticContact CZ-CD2 3.8Å; F879-F890 HydrophobicContact CZ-CD2 3.8Å; F879-F890 HydrophobicContact CZ-CE2 4.09Å
880A76.1Confident83.3Confident96 Ų9671.2 Ų71.279%0.79338%0.377SS*.THydrogen-bonded Turntrans-61.3-25.7179.800000113G882A880-G882 VanDerWaalsContact C-N 3.26Å; A880-G882 PolarHBondContact O-N 2.84Å
881D79.8Confident83.1Confident119 Ų11970 Ų7064%0.63637%0.372SS*.THydrogen-bonded Turntrans-78.8-4.9174.965.2-3.7000113.7F879 T883F879-D881 WeakPolarHBondContact CB-OD1 3.37Å; F879-D881 PolarHBondContact O-N 2.84Å; D881-T883 WeakPolarHBondContact OD1-CB 3.22Å; D881-T883 WeakPolarHBondContact OD1-CG2 3.23Å; D881-T883 PolarHBondContact OD1-N 2.82Å; D881-T883 PolarHBondContact OD1-OG1 3.23Å; D881-T883 VanDerWaalsContact OD2-CG2 3.29Å; D881-T883 WeakPolarHBondContact OD2-CG2 3.29Å; D881-T883 PolarHBondContact OD2-OG1 2.83Å
882G79.1Confident82.8Confident37 Ų3775.6 Ų75.638%0.38140%0.396SS..  trans87.91.7-177.400000114.9F879 A880F879-G882 PolarHBondContact O-N 2.76Å; A880-G882 VanDerWaalsContact C-N 3.26Å; A880-G882 PolarHBondContact O-N 2.84Å
883T84.1Confident82.2Confident52 Ų5276.3 Ų76.332%0.31940%0.397SS..  trans-69.3141.4176.858.60000111.6R878 F879 D881R878-T883 WeakPolarHBondContact CA-O 3.49Å; F879-T883 WeakPolarHBondContact CB-OG1 3.2Å; F879-T883 VanDerWaalsContact CD2-OG1 3.25Å; F879-T883 WeakPolarHBondContact CD2-OG1 3.36Å; F879-T883 PolarHBondContact N-O 3.41Å; D881-T883 WeakPolarHBondContact OD1-CB 3.22Å; D881-T883 WeakPolarHBondContact OD1-CG2 3.23Å; D881-T883 PolarHBondContact OD1-N 2.82Å; D881-T883 PolarHBondContact OD1-OG1 3.23Å; D881-T883 VanDerWaalsContact OD2-CG2 3.29Å; D881-T883 WeakPolarHBondContact OD2-CG2 3.29Å; D881-T883 PolarHBondContact OD2-OG1 2.83Å
884L86.9Confident81.3Confident29 Ų2971.3 Ų71.315%0.15238%0.375CS..EExtended strand (participates in β ladder)trans-109.4125.7-178.7-61174.3000110I856 C864 A865 I871 F876 R878I856-L884 HydrophobicContact CD1-CD2 4.49Å; C864-L884 WeakPolarHBondContact CA-O 3.26Å; A865-L884 PolarHBondContact N-O 2.86Å; I871-L884 HydrophobicContact CD1-CB 3.44Å; I871-L884 VanDerWaalsContact CD1-CB 3.44Å; I871-L884 HydrophobicContact CD1-CD1 4.09Å; I871-L884 HydrophobicContact CD1-CG 4.38Å; F876-L884 HydrophobicContact CD2-CD2 3.87Å; F876-L884 HydrophobicContact CE2-CD2 4.2Å; R878-L884 HydrophobicContact CB-CD2 4.1Å; R878-L884 HydrophobicContact CG-CD2 4.23Å
885V87.1Confident80.3Confident2 Ų274.6 Ų74.61%0.01239%0.393CS..EExtended strand (participates in β ladder)trans-130.8140.2-179.31780000109.6A865 N866 F876 V877 F879 Y887 C889 F890A865-V885 HydrophobicContact CB-CG2 3.95Å; N866-V885 HydrophobicContact CB-CG1 4.3Å; N866-V885 WeakPolarHBondContact OD1-CG1 3.26Å; N866-V885 VanDerWaalsContact OD1-CG2 3.25Å; N866-V885 WeakPolarHBondContact OD1-CG2 3.35Å; F876-V885 CarbonylContact C-O 3.36Å; F876-V885 VanDerWaalsContact CA-O 3.23Å; F876-V885 WeakPolarHBondContact CA-O 3.3Å; V877-V885 PolarHBondContact N-O 3.38Å; V877-V885 PolarHBondContact O-N 3.09Å; F879-V885 HydrophobicContact CD2-CG2 4.14Å; F879-V885 HydrophobicContact CE2-CB 3.97Å; F879-V885 HydrophobicContact CE2-CG2 3.59Å; V885-Y887 PolarHBondContact O-N 3.35Å; V885-C889 HydrophobicContact CG1-CB 3.54Å; V885-F890 HydrophobicContact CG1-CB 4.41Å
886H87.3Confident78.7Confident23 Ų2376.1 Ų76.111%0.10640%0.399CS..EExtended strand (participates in β ladder)trans-59.3140.2171.8-67.6129.8000109.9C864 C867 K869 K870 S874 Y888 C889 F890C864-H886 WeakPolarHBondContact CB-CE1 2.98Å; C864-H886 WeakPolarHBondContact CB-ND1 3.4Å; C864-H886 PolarHBondContact SG-N 2.9Å; C867-H886 VanDerWaalsContact SG-CE1 3.53Å; C867-H886 PolarHBondContact SG-ND1 3.03Å; K869-H886 PolarHBondContact O-CE1 2.65Å; K870-H886 PolarHBondContact O-NE2 3.4Å; S874-H886 PolarHBondContact OG-CD2 3.08Å; S874-H886 PolarHBondContact OG-NE2 2.9Å; S874-H886 VanDerWaalsContact OG-NE2 3.13Å; H886-Y888 PolarHBondContact O-N 2.91Å; H886-C889 HydrophobicContact CB-CB 4.3Å; H886-C889 WeakPolarHBondContact O-CA 3.35Å; H886-C889 WeakPolarHBondContact O-CB 3.43Å; H886-C889 PolarHBondContact O-N 3.47Å; H886-F890 PolarHBondContact O-N 2.7Å
887Y85.7Confident76.6Confident114 Ų11479 Ų7945%0.44743%0.431SS..Hα-helixtrans-53.1-34.2176.5-177-102.5000112.6A875 V877 V885 K891A875-Y887 WeakPolarHBondContact O-CB 3.39Å; A875-Y887 PolarHBondContact O-N 2.99Å; V877-Y887 HydrophobicContact CG2-CD2 3.96Å; V885-Y887 PolarHBondContact O-N 3.35Å; Y887-K891 HydrophobicContact CE1-CD 3.96Å; Y887-K891 HydrophobicContact CE1-CG 4.41Å; Y887-K891 PolarHBondContact O-N 3.26Å; Y887-K891 VanDerWaalsContact O-N 3.12Å; Y887-K891 VanDerWaalsContact OH-CE 3.26Å; Y887-K891 WeakPolarHBondContact OH-CE 3.4Å
888Y85Confident76.1Confident155 Ų15581.3 Ų81.361%0.60844%0.442SS*.Hα-helixtrans-70-35.8175.8-172.8-99.8000113.7H886 K892H886-Y888 PolarHBondContact O-N 2.91Å; Y888-K892 HydrophobicContact CE1-CD 3.97Å; Y888-K892 PolarHBondContact O-N 3.14Å; Y888-K892 VanDerWaalsContact OH-CE 3.27Å; Y888-K892 WeakPolarHBondContact OH-CE 3.44Å
889C83.2Confident75.8Confident18 Ų1880.8 Ų80.812%0.12245%0.448CS..Hα-helixtrans-70.1-39.2176-69.10000111N866 V885 H886 K892 E893N866-C889 HydrophobicContact CB-CB 3.74Å; V885-C889 HydrophobicContact CG1-CB 3.54Å; H886-C889 HydrophobicContact CB-CB 4.3Å; H886-C889 WeakPolarHBondContact O-CA 3.35Å; H886-C889 WeakPolarHBondContact O-CB 3.43Å; H886-C889 PolarHBondContact O-N 3.47Å; C889-K892 PolarHBondContact O-N 2.71Å; C889-E893 PolarHBondContact O-N 3.47Å
890F83.8Confident75.4Confident72 Ų7281.3 Ų81.332%0.31646%0.455SS..Hα-helixtrans-60.4-45.6174.7177.5-104.5000112.4V877 F879 V885 H886 K892 E893 S894V877-F890 HydrophobicContact CG2-CB 4.19Å; V877-F890 HydrophobicContact CG2-CD1 4.25Å; V877-F890 HydrophobicContact CG2-CG 4.18Å; F879-F890 HydrophobicContact CE1-CD2 4.36Å; F879-F890 HydrophobicContact CE1-CE2 4.19Å; F879-F890 AromaticContact CZ-CD2 3.8Å; F879-F890 HydrophobicContact CZ-CD2 3.8Å; F879-F890 HydrophobicContact CZ-CE2 4.09Å; V885-F890 HydrophobicContact CG1-CB 4.41Å; H886-F890 PolarHBondContact O-N 2.7Å; F890-K892 PolarHBondContact O-N 2.97Å; F890-E893 PolarHBondContact O-N 3.42Å; F890-S894 PolarHBondContact O-N 3Å
891K81.4Confident75.4Confident107 Ų10780.5 Ų80.547%0.46544%0.435SS..Hα-helixtrans-60.8-29176.4-91-168171.7-176.90114Y887 S894 T895Y887-K891 HydrophobicContact CE1-CD 3.96Å; Y887-K891 HydrophobicContact CE1-CG 4.41Å; Y887-K891 PolarHBondContact O-N 3.26Å; Y887-K891 VanDerWaalsContact O-N 3.12Å; Y887-K891 VanDerWaalsContact OH-CE 3.26Å; Y887-K891 WeakPolarHBondContact OH-CE 3.4Å; K891-S894 PolarHBondContact O-OG 2.78Å; K891-T895 PolarHBondContact O-N 2.85Å; K891-T895 PolarHBondContact O-OG1 2.8Å
892K75.9Confident75.1Confident121 Ų12178.1 Ų78.153%0.52642%0.422SS..Hα-helixtrans-74.3-36.8177.3-80.2-173168.7-1760112.4Y888 C889 F890 T895 S896Y888-K892 HydrophobicContact CE1-CD 3.97Å; Y888-K892 PolarHBondContact O-N 3.14Å; Y888-K892 VanDerWaalsContact OH-CE 3.27Å; Y888-K892 WeakPolarHBondContact OH-CE 3.44Å; C889-K892 PolarHBondContact O-N 2.71Å; F890-K892 PolarHBondContact O-N 2.97Å; K892-T895 PolarHBondContact O-OG1 3.47Å; K892-S896 PolarHBondContact O-OG 3.32Å
893E66.6Low74.8Confident98 Ų9880.8 Ų80.846%0.45843%0.425SS..Hα-helixtrans-70.3-40.6173-87.7175159.100112N866 C889 F890 T895 S896 S897N866-E893 PolarHBondContact ND2-OE1 3.08Å; N866-E893 PolarHBondContact ND2-OE2 2.97Å; C889-E893 PolarHBondContact O-N 3.47Å; F890-E893 PolarHBondContact O-N 3.42Å; E893-T895 PolarHBondContact O-N 3.2Å; E893-T895 VanDerWaalsContact O-N 3.15Å; E893-S896 WeakPolarHBondContact CA-OG 3.47Å; E893-S896 PolarHBondContact O-N 3.03Å; E893-S896 VanDerWaalsContact O-N 3.13Å; E893-S896 PolarHBondContact O-OG 3.18Å; E893-S896 VanDerWaalsContact O-OG 3.04Å; E893-S897 PolarHBondContact O-N 3.44Å; E893-S897 PolarHBondContact O-OG 2.56Å; E893-S897 VanDerWaalsContact O-OG 3.04Å
894S62.5Low74.1Confident57 Ų5782.9 Ų82.940%0.39943%0.433SS..THydrogen-bonded Turntrans-71.5-8.5-178.973.40000114.9F890 K891F890-S894 PolarHBondContact O-N 3Å; K891-S894 PolarHBondContact O-OG 2.78Å
895T59.3Low73.2Confident116 Ų11687 Ų8771%0.71245%0.454SS*.THydrogen-bonded Turntrans-103-5.517541.70000112.6K891 K892 E893K891-T895 PolarHBondContact O-N 2.85Å; K891-T895 PolarHBondContact O-OG1 2.8Å; K892-T895 PolarHBondContact O-OG1 3.47Å; E893-T895 PolarHBondContact O-N 3.2Å; E893-T895 VanDerWaalsContact O-N 3.15Å
896S52.1Low72Confident99 Ų9994.1 Ų94.169%0.69249%0.491SS*.  trans-107.75.1176.340.60000113K892 E893K892-S896 PolarHBondContact O-OG 3.32Å; E893-S896 WeakPolarHBondContact CA-OG 3.47Å; E893-S896 PolarHBondContact O-N 3.03Å; E893-S896 VanDerWaalsContact O-N 3.13Å; E893-S896 PolarHBondContact O-OG 3.18Å; E893-S896 VanDerWaalsContact O-OG 3.04Å
897S41.4Very low70.6Confident149 Ų149100.5 Ų100.5100%1.04253%0.526SS*.  trans-119.9016933.50000109E893E893-S897 PolarHBondContact O-N 3.44Å; E893-S897 PolarHBondContact O-OG 2.56Å; E893-S897 VanDerWaalsContact O-OG 3.04Å

Retrieved 897 of 897 residues in 1001.8 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).