A0A5K4F6S5_SCHMA Loading...

Protein strawberry notch homolog 1

AlphaFold DB , UniProt , Accession A0A5K4F6S5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,236 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M65.2Low75.8Confident112 Ų11278.8 Ų78.855%0.55238%0.383SS*.  0-39.50-68.8-162-67.100113.3Y3 M4 M41M1-Y3 VanDerWaalsContact C-N 3.29Å; M1-Y3 PolarHBondContact O-N 3.39Å; M1-Y3 VanDerWaalsContact O-N 3.11Å; M1-M4 HydrophobicContact CG-SD 4.28Å; M1-M4 WeakPolarHBondContact O-CA 3.24Å; M1-M4 VanDerWaalsContact O-CB 3.23Å; M1-M4 WeakPolarHBondContact O-CB 3.43Å; M1-M4 WeakPolarHBondContact O-CG 3.39Å; M1-M4 PolarHBondContact O-N 3.35Å; M1-M41 HydrophobicContact SD-SD 4.33Å
2A69.2Low75.7Confident54 Ų5484.6 Ų84.645%0.44642%0.417SS..THydrogen-bonded Turntrans-44.6-45.1-178.400000115.9M4 W10 F19A2-M4 PolarHBondContact O-N 2.71Å; A2-W10 WeakPolarHBondContact O-CZ2 3.25Å; A2-F19 HydrophobicContact CB-CE1 3.8Å; A2-F19 HydrophobicContact CB-CE2 3.81Å; A2-F19 HydrophobicContact CB-CZ 3.34Å
3Y76.4Confident75.3Confident196 Ų19683.9 Ų83.977%0.76945%0.445SS*.THydrogen-bonded Turntrans-72.4-4.817857.5-99.7000114.9M1 T5M1-Y3 VanDerWaalsContact C-N 3.29Å; M1-Y3 PolarHBondContact O-N 3.39Å; M1-Y3 VanDerWaalsContact O-N 3.11Å; Y3-T5 PolarHBondContact O-N 3.15Å
4M74.2Confident75.4Confident73 Ų7379.4 Ų79.436%0.3642%0.422SS..  trans-98.848.2-171.9-52.3177.476.800111.2M1 A2 R6 L7M1-M4 HydrophobicContact CG-SD 4.28Å; M1-M4 WeakPolarHBondContact O-CA 3.24Å; M1-M4 VanDerWaalsContact O-CB 3.23Å; M1-M4 WeakPolarHBondContact O-CB 3.43Å; M1-M4 WeakPolarHBondContact O-CG 3.39Å; M1-M4 PolarHBondContact O-N 3.35Å; A2-M4 PolarHBondContact O-N 2.71Å; M4-R6 PolarHBondContact O-N 3.36Å; M4-R6 VanDerWaalsContact O-N 3.14Å; M4-L7 HydrophobicContact CB-CD1 3.47Å; M4-L7 VanDerWaalsContact CB-CD1 3.47Å; M4-L7 HydrophobicContact CB-CG 3.91Å; M4-L7 HydrophobicContact CE-CD1 4.14Å; M4-L7 HydrophobicContact CG-CD1 4.38Å; M4-L7 VanDerWaalsContact O-CB 3.31Å; M4-L7 WeakPolarHBondContact O-CB 3.28Å; M4-L7 VanDerWaalsContact O-CG 3.29Å; M4-L7 WeakPolarHBondContact O-CG 3.13Å; M4-L7 PolarHBondContact O-N 3.33Å; M4-L7 HydrophobicContact SD-CD1 4.14Å
5T76Confident75.2Confident87 Ų8776.6 Ų76.653%0.53441%0.41SS..G310 helixtrans-54.2-33.9-176.652.50000113.3Y3 L7 G8 W10Y3-T5 PolarHBondContact O-N 3.15Å; T5-L7 PolarHBondContact O-N 2.96Å; T5-G8 PolarHBondContact O-N 3.25Å; T5-W10 HydrophobicContact CG2-CZ2 4.08Å
6R76.4Confident75.6Confident251 Ų25172.5 Ų72.595%0.94739%0.388SS*.G310 helixtrans-60.2-5.9174.9-62.5-173.1-177.1-175.91.7115M4 G8M4-R6 PolarHBondContact O-N 3.36Å; M4-R6 VanDerWaalsContact O-N 3.14Å; R6-G8 VanDerWaalsContact C-N 3.3Å
7L76.8Confident75.9Confident25 Ų2578.2 Ų78.213%0.13141%0.408CS..G310 helixtrans-76.9-10.7170.6-65.4171.2000113.9M4 T5 L9 M41 M46M4-L7 HydrophobicContact CB-CD1 3.47Å; M4-L7 VanDerWaalsContact CB-CD1 3.47Å; M4-L7 HydrophobicContact CB-CG 3.91Å; M4-L7 HydrophobicContact CE-CD1 4.14Å; M4-L7 HydrophobicContact CG-CD1 4.38Å; M4-L7 VanDerWaalsContact O-CB 3.31Å; M4-L7 WeakPolarHBondContact O-CB 3.28Å; M4-L7 VanDerWaalsContact O-CG 3.29Å; M4-L7 WeakPolarHBondContact O-CG 3.13Å; M4-L7 PolarHBondContact O-N 3.33Å; M4-L7 HydrophobicContact SD-CD1 4.14Å; T5-L7 PolarHBondContact O-N 2.96Å; L7-L9 HydrophobicContact CB-CD1 4.16Å; L7-L9 HydrophobicContact CB-CG 4.02Å; L7-L9 HydrophobicContact CD1-CD1 4.12Å; L7-L9 PolarHBondContact O-N 3.33Å; L7-L9 VanDerWaalsContact O-N 3.12Å; L7-M41 HydrophobicContact CD1-CE 3.68Å; L7-M41 HydrophobicContact CD2-CE 3.97Å; L7-M41 HydrophobicContact CG-CE 4.35Å; L7-M46 HydrophobicContact CD2-CB 4.33Å
8G76.6Confident76.4Confident9 Ų978.2 Ų78.29%0.09341%0.412CS..  trans65.215.6177.300000115.4T5 R6 W10 T14 F777T5-G8 PolarHBondContact O-N 3.25Å; R6-G8 VanDerWaalsContact C-N 3.3Å; G8-W10 PolarHBondContact O-N 2.82Å; G8-T14 WeakPolarHBondContact O-CG2 3.48Å; G8-F777 WeakPolarHBondContact O-CE2 3.48Å; G8-F777 VanDerWaalsContact O-CZ 3.24Å; G8-F777 WeakPolarHBondContact O-CZ 3.39Å
9L80Confident76.8Confident11 Ų1177.2 Ų77.26%0.05840%0.404CS..SBendtrans-72.4-16.2-179.1-65.3173.7000113.2L7 F16 F22 M41 M46L7-L9 HydrophobicContact CB-CD1 4.16Å; L7-L9 HydrophobicContact CB-CG 4.02Å; L7-L9 HydrophobicContact CD1-CD1 4.12Å; L7-L9 PolarHBondContact O-N 3.33Å; L7-L9 VanDerWaalsContact O-N 3.12Å; L9-F16 WeakPolarHBondContact O-CD2 3.13Å; L9-F22 HydrophobicContact CB-CE1 4.35Å; L9-F22 HydrophobicContact CB-CE2 4.25Å; L9-F22 HydrophobicContact CB-CZ 4Å; L9-F22 HydrophobicContact CD1-CE1 4.38Å; L9-F22 HydrophobicContact CD1-CZ 4.02Å; L9-F22 HydrophobicContact CG-CZ 4.46Å; L9-M41 HydrophobicContact CD1-CE 4Å; L9-M41 HydrophobicContact CD1-SD 3.85Å; L9-M41 HydrophobicContact CD2-CG 4.08Å; L9-M41 HydrophobicContact CD2-SD 4.42Å; L9-M46 HydrophobicContact CD2-CE 4.25Å
10W84.6Confident77.3Confident28 Ų2878.7 Ų78.711%0.10641%0.413CS..SBendtrans-150.6163.1172.960.284000109.6A2 T5 G8 T14 F16 F19 F22A2-W10 WeakPolarHBondContact O-CZ2 3.25Å; T5-W10 HydrophobicContact CG2-CZ2 4.08Å; G8-W10 PolarHBondContact O-N 2.82Å; W10-T14 VanDerWaalsContact CA-OG1 3.32Å; W10-T14 WeakPolarHBondContact CA-OG1 3.43Å; W10-F16 CarbonylContact C-O 3.49Å; W10-F16 WeakPolarHBondContact CA-O 3.24Å; W10-F16 HydrophobicContact CB-CB 4.08Å; W10-F16 WeakPolarHBondContact CB-O 3.4Å; W10-F19 HydrophobicContact CD2-CB 4.17Å; W10-F19 AromaticContact CD2-CD2 3.82Å; W10-F19 HydrophobicContact CD2-CD2 3.82Å; W10-F19 AromaticContact CE2-CD2 3.74Å; W10-F19 AromaticContact CE3-CD2 3.81Å; W10-F19 HydrophobicContact CE3-CD2 3.81Å; W10-F19 HydrophobicContact CE3-CE2 4.48Å; W10-F19 HydrophobicContact CG-CB 4.19Å; W10-F19 AromaticContact CH2-CD2 3.75Å; W10-F19 HydrophobicContact CH2-CD2 3.75Å; W10-F19 HydrophobicContact CH2-CE2 4Å; W10-F19 AromaticContact CZ2-CD2 3.72Å; W10-F19 HydrophobicContact CZ2-CD2 3.72Å; W10-F19 HydrophobicContact CZ2-CE2 4.35Å; W10-F19 AromaticContact CZ3-CD2 3.78Å; W10-F19 HydrophobicContact CZ3-CD2 3.78Å; W10-F19 HydrophobicContact CZ3-CE2 4.06Å; W10-F22 HydrophobicContact CB-CB 4.33Å; W10-F22 HydrophobicContact CE3-CB 4.49Å; W10-F22 AromaticContact CE3-CD1 3.58Å; W10-F22 HydrophobicContact CE3-CD1 3.58Å; W10-F22 AromaticContact CE3-CE1 3.91Å; W10-F22 HydrophobicContact CE3-CE1 3.91Å; W10-F22 HydrophobicContact CE3-CG 4.11Å; W10-F22 AromaticContact CZ3-CD1 3.91Å; W10-F22 HydrophobicContact CZ3-CD1 3.91Å; W10-F22 AromaticContact CZ3-CE1 3.86Å; W10-F22 HydrophobicContact CZ3-CE1 3.86Å
11G78.7Confident77.5Confident21 Ų2177.2 Ų77.222%0.21641%0.409CS..SBendtrans114.1-173.8-174.600000112.5T14 F16G11-T14 PolarHBondContact N-OG1 3.28Å; G11-T14 WeakPolarHBondContact O-CB 3.43Å; G11-T14 WeakPolarHBondContact O-CG2 3.49Å; G11-T14 PolarHBondContact O-N 2.9Å; G11-T14 PolarHBondContact O-OG1 2.66Å; G11-F16 PolarHBondContact N-O 3.44Å
12D74.5Confident78.4Confident148 Ų14872 Ų7279%0.79138%0.383SS*.THydrogen-bonded Turntrans-67.8145.5-179.4-67.4-52.6000112.6T14D12-T14 PolarHBondContact O-N 2.9Å
13G70.5Confident79Confident76 Ų7671.8 Ų71.878%0.78437%0.374SS*.THydrogen-bonded Turntrans73.5-1.3-17100000114.8
14T76Confident79.2Confident20 Ų2068.8 Ų68.812%0.12337%0.367CS..SBendtrans-105.3163.5178.5850000111.6G8 W10 G11 D12 F16G8-T14 WeakPolarHBondContact O-CG2 3.48Å; W10-T14 VanDerWaalsContact CA-OG1 3.32Å; W10-T14 WeakPolarHBondContact CA-OG1 3.43Å; G11-T14 PolarHBondContact N-OG1 3.28Å; G11-T14 WeakPolarHBondContact O-CB 3.43Å; G11-T14 WeakPolarHBondContact O-CG2 3.49Å; G11-T14 PolarHBondContact O-N 2.9Å; G11-T14 PolarHBondContact O-OG1 2.66Å; D12-T14 PolarHBondContact O-N 2.9Å; T14-F16 PolarHBondContact O-N 2.99Å; T14-F16 PolarHBondContact OG1-N 3.38Å; T14-F16 PolarHBondContact OG1-O 3.16Å; T14-F16 VanDerWaalsContact OG1-O 3.09Å
15P73.3Confident79.2Confident38 Ų3866.6 Ų66.625%0.24736%0.357CS..SBendtrans-65-13174.3-19.832.2000114.9L933 A937P15-L933 VanDerWaalsContact CG-O 3.3Å; P15-L933 WeakPolarHBondContact CG-O 3.34Å; P15-A937 HydrophobicContact CB-CB 4.23Å
16F82Confident79.2Confident11 Ų1163.2 Ų63.25%0.04834%0.336CS..  trans-128.899-173-56.4-79.6000110.4L9 W10 G11 T14 T18 F22 T25 L933L9-F16 WeakPolarHBondContact O-CD2 3.13Å; W10-F16 CarbonylContact C-O 3.49Å; W10-F16 WeakPolarHBondContact CA-O 3.24Å; W10-F16 HydrophobicContact CB-CB 4.08Å; W10-F16 WeakPolarHBondContact CB-O 3.4Å; G11-F16 PolarHBondContact N-O 3.44Å; T14-F16 PolarHBondContact O-N 2.99Å; T14-F16 PolarHBondContact OG1-N 3.38Å; T14-F16 PolarHBondContact OG1-O 3.16Å; T14-F16 VanDerWaalsContact OG1-O 3.09Å; F16-T18 PolarHBondContact O-N 3.01Å; F16-F22 HydrophobicContact CB-CB 3.93Å; F16-F22 HydrophobicContact CD1-CB 4.27Å; F16-F22 HydrophobicContact CD1-CD2 4.35Å; F16-F22 AromaticContact CD2-CD2 3.62Å; F16-F22 HydrophobicContact CD2-CD2 3.62Å; F16-F22 HydrophobicContact CD2-CE2 4.35Å; F16-F22 AromaticContact CE2-CD2 3.82Å; F16-F22 HydrophobicContact CE2-CD2 3.82Å; F16-F22 HydrophobicContact CE2-CE2 4.26Å; F16-F22 HydrophobicContact CG-CB 4Å; F16-F22 AromaticContact CG-CD2 3.91Å; F16-F22 HydrophobicContact CG-CD2 3.91Å; F16-F22 HydrophobicContact CG-CG 4.46Å; F16-F22 HydrophobicContact CZ-CD2 4.26Å; F16-T25 HydrophobicContact CE1-CG2 3.93Å; F16-T25 HydrophobicContact CZ-CG2 4.48Å; F16-L933 HydrophobicContact CE2-CD2 3.79Å; F16-L933 HydrophobicContact CZ-CD2 4.07Å
17K80.7Confident78.8Confident170 Ų17054.5 Ų54.574%0.73931%0.306SS*.SBendtrans-58.1-27.5-175.5-63.7-171.2177.4-1720114.3
18T84.5Confident78.3Confident78 Ų7863 Ų6348%0.47934%0.337SS..SBendtrans-138.2154.2-179.266.60000112.1F16 N20 S21 F22F16-T18 PolarHBondContact O-N 3.01Å; T18-N20 VanDerWaalsContact C-N 3.27Å; T18-N20 PolarHBondContact O-N 3.04Å; T18-S21 WeakPolarHBondContact O-CB 3.32Å; T18-S21 PolarHBondContact O-N 2.82Å; T18-S21 VanDerWaalsContact O-N 3.14Å; T18-S21 PolarHBondContact OG1-N 3.43Å; T18-F22 PolarHBondContact O-N 2.96Å; T18-F22 VanDerWaalsContact O-N 3.13Å
19F84.7Confident77.7Confident59 Ų5963.8 Ų63.826%0.25934%0.337SS..Hα-helixtrans-56-40.3175.1177.2-109.4000112.6A2 W10 S21 F22 I23A2-F19 HydrophobicContact CB-CE1 3.8Å; A2-F19 HydrophobicContact CB-CE2 3.81Å; A2-F19 HydrophobicContact CB-CZ 3.34Å; W10-F19 HydrophobicContact CD2-CB 4.17Å; W10-F19 AromaticContact CD2-CD2 3.82Å; W10-F19 HydrophobicContact CD2-CD2 3.82Å; W10-F19 AromaticContact CE2-CD2 3.74Å; W10-F19 AromaticContact CE3-CD2 3.81Å; W10-F19 HydrophobicContact CE3-CD2 3.81Å; W10-F19 HydrophobicContact CE3-CE2 4.48Å; W10-F19 HydrophobicContact CG-CB 4.19Å; W10-F19 AromaticContact CH2-CD2 3.75Å; W10-F19 HydrophobicContact CH2-CD2 3.75Å; W10-F19 HydrophobicContact CH2-CE2 4Å; W10-F19 AromaticContact CZ2-CD2 3.72Å; W10-F19 HydrophobicContact CZ2-CD2 3.72Å; W10-F19 HydrophobicContact CZ2-CE2 4.35Å; W10-F19 AromaticContact CZ3-CD2 3.78Å; W10-F19 HydrophobicContact CZ3-CD2 3.78Å; W10-F19 HydrophobicContact CZ3-CE2 4.06Å; F19-S21 VanDerWaalsContact C-N 3.33Å; F19-S21 PolarHBondContact O-N 2.66Å; F19-F22 HydrophobicContact CD2-CD1 4.49Å; F19-F22 WeakPolarHBondContact O-CB 3.32Å; F19-F22 PolarHBondContact O-N 3.16Å; F19-I23 HydrophobicContact CD1-CG1 4.19Å; F19-I23 HydrophobicContact CD2-CG1 4.05Å; F19-I23 HydrophobicContact CE1-CD1 4.45Å; F19-I23 HydrophobicContact CE1-CG1 3.66Å; F19-I23 HydrophobicContact CE2-CD1 3.7Å; F19-I23 HydrophobicContact CE2-CG1 3.49Å; F19-I23 VanDerWaalsContact CE2-CG1 3.49Å; F19-I23 HydrophobicContact CG-CG1 4.37Å; F19-I23 HydrophobicContact CZ-CD1 3.61Å; F19-I23 HydrophobicContact CZ-CG1 3.27Å; F19-I23 WeakPolarHBondContact O-CG1 3.26Å; F19-I23 PolarHBondContact O-N 3.18Å
20N84.9Confident76.8Confident107 Ų10764.3 Ų64.357%0.57235%0.345SS*.Hα-helixtrans-64.1-38178.7-65.3-4.8000111.9T18 I23 Q24T18-N20 VanDerWaalsContact C-N 3.27Å; T18-N20 PolarHBondContact O-N 3.04Å; N20-I23 PolarHBondContact O-N 3.46Å; N20-Q24 WeakPolarHBondContact O-CB 3.29Å; N20-Q24 VanDerWaalsContact O-CG 3.26Å; N20-Q24 WeakPolarHBondContact O-CG 3.47Å; N20-Q24 PolarHBondContact O-N 2.81Å
21S82.2Confident75.8Confident47 Ų4767 Ų6733%0.32936%0.364SS..Hα-helixtrans-64.8-40.5174.1175.30000112T18 F19 T25T18-S21 WeakPolarHBondContact O-CB 3.32Å; T18-S21 PolarHBondContact O-N 2.82Å; T18-S21 VanDerWaalsContact O-N 3.14Å; T18-S21 PolarHBondContact OG1-N 3.43Å; F19-S21 VanDerWaalsContact C-N 3.33Å; F19-S21 PolarHBondContact O-N 2.66Å; S21-T25 WeakPolarHBondContact O-CB 3.45Å; S21-T25 PolarHBondContact O-N 2.78Å; S21-T25 VanDerWaalsContact O-N 3.15Å; S21-T25 PolarHBondContact O-OG1 3.29Å
22F83.3Confident75.1Confident2 Ų266.4 Ų66.41%0.00936%0.358CS..Hα-helixtrans-62.9-49.1174.6176.7-113.6000112.2L9 W10 F16 T18 F19 T25 L26 V37L9-F22 HydrophobicContact CB-CE1 4.35Å; L9-F22 HydrophobicContact CB-CE2 4.25Å; L9-F22 HydrophobicContact CB-CZ 4Å; L9-F22 HydrophobicContact CD1-CE1 4.38Å; L9-F22 HydrophobicContact CD1-CZ 4.02Å; L9-F22 HydrophobicContact CG-CZ 4.46Å; W10-F22 HydrophobicContact CB-CB 4.33Å; W10-F22 HydrophobicContact CE3-CB 4.49Å; W10-F22 AromaticContact CE3-CD1 3.58Å; W10-F22 HydrophobicContact CE3-CD1 3.58Å; W10-F22 AromaticContact CE3-CE1 3.91Å; W10-F22 HydrophobicContact CE3-CE1 3.91Å; W10-F22 HydrophobicContact CE3-CG 4.11Å; W10-F22 AromaticContact CZ3-CD1 3.91Å; W10-F22 HydrophobicContact CZ3-CD1 3.91Å; W10-F22 AromaticContact CZ3-CE1 3.86Å; W10-F22 HydrophobicContact CZ3-CE1 3.86Å; F16-F22 HydrophobicContact CB-CB 3.93Å; F16-F22 HydrophobicContact CD1-CB 4.27Å; F16-F22 HydrophobicContact CD1-CD2 4.35Å; F16-F22 AromaticContact CD2-CD2 3.62Å; F16-F22 HydrophobicContact CD2-CD2 3.62Å; F16-F22 HydrophobicContact CD2-CE2 4.35Å; F16-F22 AromaticContact CE2-CD2 3.82Å; F16-F22 HydrophobicContact CE2-CD2 3.82Å; F16-F22 HydrophobicContact CE2-CE2 4.26Å; F16-F22 HydrophobicContact CG-CB 4Å; F16-F22 AromaticContact CG-CD2 3.91Å; F16-F22 HydrophobicContact CG-CD2 3.91Å; F16-F22 HydrophobicContact CG-CG 4.46Å; F16-F22 HydrophobicContact CZ-CD2 4.26Å; T18-F22 PolarHBondContact O-N 2.96Å; T18-F22 VanDerWaalsContact O-N 3.13Å; F19-F22 HydrophobicContact CD2-CD1 4.49Å; F19-F22 WeakPolarHBondContact O-CB 3.32Å; F19-F22 PolarHBondContact O-N 3.16Å; F22-T25 PolarHBondContact O-N 3.11Å; F22-L26 HydrophobicContact CD1-CD1 3.96Å; F22-L26 HydrophobicContact CD2-CD1 4.3Å; F22-L26 HydrophobicContact CE1-CD1 3.53Å; F22-L26 HydrophobicContact CE2-CD1 3.91Å; F22-L26 HydrophobicContact CE2-CG 4.46Å; F22-L26 HydrophobicContact CG-CD1 4.34Å; F22-L26 HydrophobicContact CZ-CD1 3.52Å; F22-L26 PolarHBondContact O-N 3.38Å; F22-V37 HydrophobicContact CE2-CG2 4.04Å; F22-V37 HydrophobicContact CZ-CG1 4.2Å; F22-V37 HydrophobicContact CZ-CG2 4.1Å
23I82.8Confident74.8Confident51 Ų5159.5 Ų59.526%0.26232%0.322SS..Hα-helixtrans-65-50.5-179.5-69.4-60.5000112F19 N20 T25 L26 E27F19-I23 HydrophobicContact CD1-CG1 4.19Å; F19-I23 HydrophobicContact CD2-CG1 4.05Å; F19-I23 HydrophobicContact CE1-CD1 4.45Å; F19-I23 HydrophobicContact CE1-CG1 3.66Å; F19-I23 HydrophobicContact CE2-CD1 3.7Å; F19-I23 HydrophobicContact CE2-CG1 3.49Å; F19-I23 VanDerWaalsContact CE2-CG1 3.49Å; F19-I23 HydrophobicContact CG-CG1 4.37Å; F19-I23 HydrophobicContact CZ-CD1 3.61Å; F19-I23 HydrophobicContact CZ-CG1 3.27Å; F19-I23 WeakPolarHBondContact O-CG1 3.26Å; F19-I23 PolarHBondContact O-N 3.18Å; N20-I23 PolarHBondContact O-N 3.46Å; I23-T25 PolarHBondContact O-N 3.38Å; I23-L26 WeakPolarHBondContact O-CA 3.39Å; I23-L26 WeakPolarHBondContact O-CB 3.4Å; I23-L26 PolarHBondContact O-N 2.91Å; I23-E27 VanDerWaalsContact CG2-CD 3.47Å; I23-E27 HydrophobicContact CG2-CG 4.07Å; I23-E27 VanDerWaalsContact CG2-OE2 3.3Å; I23-E27 WeakPolarHBondContact CG2-OE2 3.32Å; I23-E27 WeakPolarHBondContact O-CG 3.44Å; I23-E27 PolarHBondContact O-N 3.23Å
24Q80.1Confident75Confident132 Ų13260.3 Ų60.362%0.61731%0.306SS*.Hα-helixtrans-58.1-34.2177.4-72.1174.8-5.400112.1N20 R28N20-Q24 WeakPolarHBondContact O-CB 3.29Å; N20-Q24 VanDerWaalsContact O-CG 3.26Å; N20-Q24 WeakPolarHBondContact O-CG 3.47Å; N20-Q24 PolarHBondContact O-N 2.81Å; Q24-R28 WeakPolarHBondContact O-CB 3.38Å; Q24-R28 PolarHBondContact O-N 3.29Å
25T74.9Confident74.7Confident27 Ų2761.5 Ų61.517%0.16631%0.31CS..Hα-helixtrans-70-37.5175-55.10000112.3F16 S21 F22 I23 R29F16-T25 HydrophobicContact CE1-CG2 3.93Å; F16-T25 HydrophobicContact CZ-CG2 4.48Å; S21-T25 WeakPolarHBondContact O-CB 3.45Å; S21-T25 PolarHBondContact O-N 2.78Å; S21-T25 VanDerWaalsContact O-N 3.15Å; S21-T25 PolarHBondContact O-OG1 3.29Å; F22-T25 PolarHBondContact O-N 3.11Å; I23-T25 PolarHBondContact O-N 3.38Å; T25-R29 WeakPolarHBondContact O-CB 3.37Å; T25-R29 VanDerWaalsContact O-CD 3.3Å; T25-R29 WeakPolarHBondContact O-CD 3.45Å; T25-R29 WeakPolarHBondContact O-CG 3.29Å
26L75.3Confident74.8Confident16 Ų1659.8 Ų59.88%0.08430%0.299CS..Hα-helixtrans-69.5-49.5176.4-76.6168.8000112.1F22 I23 R29 G30 A33 M34 V37F22-L26 HydrophobicContact CD1-CD1 3.96Å; F22-L26 HydrophobicContact CD2-CD1 4.3Å; F22-L26 HydrophobicContact CE1-CD1 3.53Å; F22-L26 HydrophobicContact CE2-CD1 3.91Å; F22-L26 HydrophobicContact CE2-CG 4.46Å; F22-L26 HydrophobicContact CG-CD1 4.34Å; F22-L26 HydrophobicContact CZ-CD1 3.52Å; F22-L26 PolarHBondContact O-N 3.38Å; I23-L26 WeakPolarHBondContact O-CA 3.39Å; I23-L26 WeakPolarHBondContact O-CB 3.4Å; I23-L26 PolarHBondContact O-N 2.91Å; L26-R29 CarbonylContact O-C 3.5Å; L26-R29 PolarHBondContact O-N 3.11Å; L26-R29 VanDerWaalsContact O-N 3.14Å; L26-G30 PolarHBondContact O-N 3.39Å; L26-A33 HydrophobicContact CD2-CB 3.82Å; L26-M34 HydrophobicContact CD2-CG 4.26Å; L26-V37 HydrophobicContact CD2-CG2 3.71Å
27E69.3Low74.7Confident69 Ų6959.5 Ų59.532%0.32230%0.298SS..Hα-helixtrans-62.7-49.3-176.5-66.917513000111.5I23 R29 G30 S311I23-E27 VanDerWaalsContact CG2-CD 3.47Å; I23-E27 HydrophobicContact CG2-CG 4.07Å; I23-E27 VanDerWaalsContact CG2-OE2 3.3Å; I23-E27 WeakPolarHBondContact CG2-OE2 3.32Å; I23-E27 WeakPolarHBondContact O-CG 3.44Å; I23-E27 PolarHBondContact O-N 3.23Å; E27-R29 PolarHBondContact O-N 2.83Å; E27-G30 PolarHBondContact O-N 3.06Å; E27-G30 VanDerWaalsContact O-N 3.11Å; E27-S311 WeakPolarHBondContact OE1-CB 3.19Å; E27-S311 PolarHBondContact OE1-OG 3.23Å
28R66.4Low74.5Confident203 Ų20352.8 Ų52.877%0.76627%0.274SS*.THydrogen-bonded Turntrans-57.7-19.9176.1-178173.5175.9136.9-0.9113.5Q24Q24-R28 WeakPolarHBondContact O-CB 3.38Å; Q24-R28 PolarHBondContact O-N 3.29Å
29R63.2Low73.9Confident25 Ų2550.6 Ų50.69%0.09426%0.259CS..THydrogen-bonded Turntrans-110.9-3.1-177.4-67.4-179.4172.5-131.19114.3T25 L26 E27 A33 E940 C952T25-R29 WeakPolarHBondContact O-CB 3.37Å; T25-R29 VanDerWaalsContact O-CD 3.3Å; T25-R29 WeakPolarHBondContact O-CD 3.45Å; T25-R29 WeakPolarHBondContact O-CG 3.29Å; L26-R29 CarbonylContact O-C 3.5Å; L26-R29 PolarHBondContact O-N 3.11Å; L26-R29 VanDerWaalsContact O-N 3.14Å; E27-R29 PolarHBondContact O-N 2.83Å; R29-A33 HydrophobicContact CB-CB 3.57Å; R29-E940 IonicContact CZ-OE1 2.71Å; R29-E940 IonicContact CZ-OE2 3.81Å; R29-E940 IonicContact NE-OE1 2.66Å; R29-E940 IonicContact NH2-OE1 3.25Å; R29-E940 PolarHBondContact NH2-OE1 3.43Å; R29-E940 IonicContact NH2-OE2 3.62Å; R29-E940 PolarHBondContact NH2-OE2 3.48Å; R29-C952 VanDerWaalsContact CB-SG 3.55Å; R29-C952 PolarHBondContact O-SG 3.28Å; R29-C952 VanDerWaalsContact O-SG 3.34Å
30G62.1Low73.5Confident22 Ų2247.9 Ų47.923%0.22725%0.247CC..Hα-helixtrans63.2-159.9174.400000115.3L26 E27 G32 A33 M34L26-G30 PolarHBondContact O-N 3.39Å; E27-G30 PolarHBondContact O-N 3.06Å; E27-G30 VanDerWaalsContact O-N 3.11Å; G30-G32 PolarHBondContact O-N 2.89Å; G30-G32 VanDerWaalsContact O-N 3.15Å; G30-A33 PolarHBondContact O-N 2.96Å; G30-A33 VanDerWaalsContact O-N 3.13Å; G30-M34 PolarHBondContact O-N 3.13Å
31V62.4Low73.2Confident86 Ų8643.1 Ų43.152%0.52122%0.222SC..Hα-helixtrans-57.6-34.3-170-175.50000112.5A33 M34 E35V31-A33 PolarHBondContact O-N 3.2Å; V31-M34 WeakPolarHBondContact O-CB 3.45Å; V31-M34 PolarHBondContact O-N 2.8Å; V31-E35 PolarHBondContact O-N 2.85Å
32G63.4Low72.8Confident8 Ų845.3 Ų45.38%0.08223%0.225CC..Hα-helixtrans-61.3-38.9179.600000113.8G30 L36 V955G30-G32 PolarHBondContact O-N 2.89Å; G30-G32 VanDerWaalsContact O-N 3.15Å; G32-L36 WeakPolarHBondContact O-CG 3.4Å; G32-L36 PolarHBondContact O-N 3.05Å; G32-L36 VanDerWaalsContact O-N 3.09Å; G32-V955 VanDerWaalsContact CA-CG2 3.42Å; G32-V955 WeakPolarHBondContact O-CG2 3.49Å
33A69.6Low72.3Confident3 Ų350.5 Ų50.53%0.02525%0.252CS..Hα-helixtrans-71.8-35.6176.100000111.9L26 R29 G30 V31 L36 V37 W936L26-A33 HydrophobicContact CD2-CB 3.82Å; R29-A33 HydrophobicContact CB-CB 3.57Å; G30-A33 PolarHBondContact O-N 2.96Å; G30-A33 VanDerWaalsContact O-N 3.13Å; V31-A33 PolarHBondContact O-N 3.2Å; A33-L36 PolarHBondContact O-N 3.34Å; A33-V37 PolarHBondContact O-N 3.24Å; A33-W936 HydrophobicContact CB-CH2 3.96Å; A33-W936 HydrophobicContact CB-CZ2 4.06Å
34M73.4Confident71.9Confident93 Ų9349.1 Ų49.146%0.45824%0.244SC..Hα-helixtrans-64.9-38.9174.6-57.7179.8-174.100112.2L26 G30 V31 V37 A38L26-M34 HydrophobicContact CD2-CG 4.26Å; G30-M34 PolarHBondContact O-N 3.13Å; V31-M34 WeakPolarHBondContact O-CB 3.45Å; V31-M34 PolarHBondContact O-N 2.8Å; M34-V37 PolarHBondContact O-N 2.92Å; M34-A38 WeakPolarHBondContact O-CB 3.22Å; M34-A38 PolarHBondContact O-N 3.21Å
35E70.1Confident71.7Confident44 Ų4445.1 Ų45.121%0.20624%0.238CC..Hα-helixtrans-68.4-39.6174.4-171.8-177.7-172.900111.8V31 V37 A38 M39 I755V31-E35 PolarHBondContact O-N 2.85Å; E35-V37 VanDerWaalsContact C-N 3.32Å; E35-V37 PolarHBondContact O-N 2.81Å; E35-A38 CarbonylContact O-C 3.39Å; E35-A38 PolarHBondContact O-N 3.37Å; E35-M39 VanDerWaalsContact O-CB 3.28Å; E35-M39 WeakPolarHBondContact O-CB 3.4Å; E35-M39 PolarHBondContact O-N 3.3Å; E35-I755 WeakPolarHBondContact OE2-CD1 3.36Å; E35-I755 WeakPolarHBondContact OE2-CG1 3.45Å
36L74.8Confident71.7Confident3 Ų346.7 Ų46.72%0.01624%0.244CC..Hα-helixtrans-62.5-39175-72.4172.2000111.6G32 A33 M39 D40 W936 V955 S969G32-L36 WeakPolarHBondContact O-CG 3.4Å; G32-L36 PolarHBondContact O-N 3.05Å; G32-L36 VanDerWaalsContact O-N 3.09Å; A33-L36 PolarHBondContact O-N 3.34Å; L36-M39 HydrophobicContact CD2-CE 3.75Å; L36-D40 WeakPolarHBondContact O-CB 3.34Å; L36-D40 PolarHBondContact O-N 3.32Å; L36-W936 HydrophobicContact CB-CH2 4.33Å; L36-W936 HydrophobicContact CB-CZ3 3.99Å; L36-W936 HydrophobicContact CD1-CH2 3.79Å; L36-W936 HydrophobicContact CD1-CZ3 3.58Å; L36-W936 HydrophobicContact CG-CZ3 4.43Å; L36-V955 HydrophobicContact CD1-CG2 3.84Å; L36-V955 HydrophobicContact CD2-CG2 4.45Å; L36-V955 HydrophobicContact CG-CG2 3.85Å; L36-S969 VanDerWaalsContact CD1-OG 3.28Å; L36-S969 WeakPolarHBondContact CD1-OG 3.2Å
37V79.9Confident71.4Confident5 Ų549.9 Ų49.93%0.0326%0.255CS..Hα-helixtrans-61.3-50.8168.71700000111.2F22 L26 A33 M34 E35 M39 D40 M41 L933F22-V37 HydrophobicContact CE2-CG2 4.04Å; F22-V37 HydrophobicContact CZ-CG1 4.2Å; F22-V37 HydrophobicContact CZ-CG2 4.1Å; L26-V37 HydrophobicContact CD2-CG2 3.71Å; A33-V37 PolarHBondContact O-N 3.24Å; M34-V37 PolarHBondContact O-N 2.92Å; E35-V37 VanDerWaalsContact C-N 3.32Å; E35-V37 PolarHBondContact O-N 2.81Å; V37-M39 VanDerWaalsContact C-N 3.26Å; V37-M39 PolarHBondContact O-N 3.23Å; V37-D40 PolarHBondContact O-N 2.86Å; V37-M41 HydrophobicContact CG1-CG 4.13Å; V37-M41 HydrophobicContact CG1-SD 3.69Å; V37-M41 WeakPolarHBondContact O-CB 3.35Å; V37-M41 VanDerWaalsContact O-CG 3.25Å; V37-M41 WeakPolarHBondContact O-CG 3.41Å; V37-M41 PolarHBondContact O-N 2.92Å; V37-L933 HydrophobicContact CB-CD1 4.16Å; V37-L933 HydrophobicContact CG2-CD1 3.6Å; V37-L933 HydrophobicContact CG2-CD2 3.96Å; V37-L933 HydrophobicContact CG2-CG 4.43Å
38A76.7Confident71.3Confident28 Ų2852.3 Ų52.323%0.23127%0.269CS..Hα-helixtrans-64.4-29-178.300000113.4M34 E35 K42 Y47M34-A38 WeakPolarHBondContact O-CB 3.22Å; M34-A38 PolarHBondContact O-N 3.21Å; E35-A38 CarbonylContact O-C 3.39Å; E35-A38 PolarHBondContact O-N 3.37Å; A38-K42 VanDerWaalsContact O-CD 3.25Å; A38-K42 WeakPolarHBondContact O-CD 3.42Å; A38-K42 WeakPolarHBondContact O-CG 3.12Å; A38-K42 PolarHBondContact O-N 3.01Å; A38-Y47 HydrophobicContact CB-CE1 4.49Å
39M72.7Confident71Confident32 Ų3244.4 Ų44.416%0.15825%0.247CC..Hα-helixtrans-73.8-47.6173.1-177.6-176.975.700111.1E35 L36 V37 K42 L43 I967E35-M39 VanDerWaalsContact O-CB 3.28Å; E35-M39 WeakPolarHBondContact O-CB 3.4Å; E35-M39 PolarHBondContact O-N 3.3Å; L36-M39 HydrophobicContact CD2-CE 3.75Å; V37-M39 VanDerWaalsContact C-N 3.26Å; V37-M39 PolarHBondContact O-N 3.23Å; M39-K42 CarbonylContact O-C 3.57Å; M39-K42 WeakPolarHBondContact O-CA 3.42Å; M39-K42 WeakPolarHBondContact O-CB 3.31Å; M39-K42 PolarHBondContact O-N 2.83Å; M39-K42 VanDerWaalsContact O-N 3.11Å; M39-L43 HydrophobicContact CE-CD1 4.46Å; M39-L43 HydrophobicContact CG-CD1 4.19Å; M39-L43 WeakPolarHBondContact O-CG 3.49Å; M39-L43 PolarHBondContact O-N 3.21Å; M39-I967 HydrophobicContact SD-CB 3.76Å; M39-I967 HydrophobicContact SD-CG2 3.73Å
40D76.9Confident70.8Confident2 Ų254 Ų541%0.01128%0.283CS..Hα-helixtrans-67.1-37.5-178.5-178.550.3000112.5L36 V37 K42 L43 R44 S931 L933L36-D40 WeakPolarHBondContact O-CB 3.34Å; L36-D40 PolarHBondContact O-N 3.32Å; V37-D40 PolarHBondContact O-N 2.86Å; D40-K42 VanDerWaalsContact C-N 3.33Å; D40-K42 PolarHBondContact O-N 3.01Å; D40-L43 PolarHBondContact O-N 3.4Å; D40-R44 PolarHBondContact O-N 3.5Å; D40-R44 PolarHBondContact O-NH1 3.14Å; D40-R44 IonicContact OD1-CZ 2.63Å; D40-R44 IonicContact OD1-NH1 3.48Å; D40-R44 PolarHBondContact OD1-NH1 3.45Å; D40-R44 IonicContact OD1-NH2 3.01Å; D40-R44 PolarHBondContact OD1-NH2 2.95Å; D40-R44 IonicContact OD2-CZ 3.14Å; D40-R44 IonicContact OD2-NH1 2.71Å; D40-R44 PolarHBondContact OD2-NH1 2.9Å; D40-R44 IonicContact OD2-NH2 2.64Å; D40-R44 PolarHBondContact OD2-NH2 3.31Å; D40-S931 VanDerWaalsContact OD1-CA 3.25Å; D40-S931 WeakPolarHBondContact OD1-CA 3.17Å; D40-S931 VanDerWaalsContact OD1-CB 3.3Å; D40-S931 WeakPolarHBondContact OD1-CB 3.49Å; D40-S931 PolarHBondContact OD1-OG 3.48Å; D40-L933 HydrophobicContact CB-CD1 3.68Å; D40-L933 WeakPolarHBondContact OD2-CB 3.49Å; D40-L933 VanDerWaalsContact OD2-CD1 3.3Å; D40-L933 WeakPolarHBondContact OD2-CD1 3.42Å
41M77.6Confident70.5Confident8 Ų857 Ų574%0.03929%0.292CS..Hα-helixtrans-66.1-32.2169.4-65.9177.777.700112.9M1 L7 L9 V37 G45 M46 Y47M1-M41 HydrophobicContact SD-SD 4.33Å; L7-M41 HydrophobicContact CD1-CE 3.68Å; L7-M41 HydrophobicContact CD2-CE 3.97Å; L7-M41 HydrophobicContact CG-CE 4.35Å; L9-M41 HydrophobicContact CD1-CE 4Å; L9-M41 HydrophobicContact CD1-SD 3.85Å; L9-M41 HydrophobicContact CD2-CG 4.08Å; L9-M41 HydrophobicContact CD2-SD 4.42Å; V37-M41 HydrophobicContact CG1-CG 4.13Å; V37-M41 HydrophobicContact CG1-SD 3.69Å; V37-M41 WeakPolarHBondContact O-CB 3.35Å; V37-M41 VanDerWaalsContact O-CG 3.25Å; V37-M41 WeakPolarHBondContact O-CG 3.41Å; V37-M41 PolarHBondContact O-N 2.92Å; M41-G45 CarbonylContact O-C 3.58Å; M41-G45 PolarHBondContact O-N 2.99Å; M41-M46 HydrophobicContact CB-CB 4.5Å; M41-M46 HydrophobicContact CG-CE 4.17Å; M41-M46 PolarHBondContact O-N 2.73Å; M41-Y47 PolarHBondContact O-N 3.3Å
42K74.7Confident70.5Confident93 Ų9355.9 Ų55.940%0.40428%0.282SS..Hα-helixtrans-70.7-38.3171.9-77.4165.1-173.9170.90111.3A38 M39 D40 G45 Y47A38-K42 VanDerWaalsContact O-CD 3.25Å; A38-K42 WeakPolarHBondContact O-CD 3.42Å; A38-K42 WeakPolarHBondContact O-CG 3.12Å; A38-K42 PolarHBondContact O-N 3.01Å; M39-K42 CarbonylContact O-C 3.57Å; M39-K42 WeakPolarHBondContact O-CA 3.42Å; M39-K42 WeakPolarHBondContact O-CB 3.31Å; M39-K42 PolarHBondContact O-N 2.83Å; M39-K42 VanDerWaalsContact O-N 3.11Å; D40-K42 VanDerWaalsContact C-N 3.33Å; D40-K42 PolarHBondContact O-N 3.01Å; K42-G45 PolarHBondContact O-N 3.41Å; K42-G45 VanDerWaalsContact O-N 3.14Å; K42-Y47 HydrophobicContact CD-CD1 4.44Å; K42-Y47 HydrophobicContact CG-CD1 4.01Å; K42-Y47 VanDerWaalsContact CG-O 3.24Å; K42-Y47 WeakPolarHBondContact CG-O 3.31Å
43L72.6Confident70.5Confident110 Ų11058 Ų5858%0.57630%0.296SS*.Hα-helixtrans-66-39.5178-72.8170.5000112.3M39 D40 G45M39-L43 HydrophobicContact CE-CD1 4.46Å; M39-L43 HydrophobicContact CG-CD1 4.19Å; M39-L43 WeakPolarHBondContact O-CG 3.49Å; M39-L43 PolarHBondContact O-N 3.21Å; D40-L43 PolarHBondContact O-N 3.4Å; L43-G45 VanDerWaalsContact C-N 3.26Å; L43-G45 PolarHBondContact O-N 2.69Å
44R74.1Confident70.4Confident23 Ų2360.4 Ų60.49%0.08731%0.306CS..THydrogen-bonded Turntrans-81.28.8170.5-62.4-163.4-149.572.8-4.7114.4D40 M46 T782 S931 N934D40-R44 PolarHBondContact O-N 3.5Å; D40-R44 PolarHBondContact O-NH1 3.14Å; D40-R44 IonicContact OD1-CZ 2.63Å; D40-R44 IonicContact OD1-NH1 3.48Å; D40-R44 PolarHBondContact OD1-NH1 3.45Å; D40-R44 IonicContact OD1-NH2 3.01Å; D40-R44 PolarHBondContact OD1-NH2 2.95Å; D40-R44 IonicContact OD2-CZ 3.14Å; D40-R44 IonicContact OD2-NH1 2.71Å; D40-R44 PolarHBondContact OD2-NH1 2.9Å; D40-R44 IonicContact OD2-NH2 2.64Å; D40-R44 PolarHBondContact OD2-NH2 3.31Å; R44-M46 HydrophobicContact CB-CE 4.27Å; R44-M46 HydrophobicContact CB-CG 3.91Å; R44-M46 HydrophobicContact CB-SD 4.42Å; R44-M46 PolarHBondContact O-N 2.85Å; R44-T782 HydrophobicContact CG-CG2 4.05Å; R44-S931 PolarHBondContact NH2-OG 2.78Å; R44-S931 VanDerWaalsContact NH2-OG 3.16Å; R44-N934 PolarHBondContact NH2-OD1 2.61Å
45G75.3Confident70Confident47 Ų4761.2 Ų61.249%0.48531%0.308SS..SBendtrans66.9-12.5-176.500000116.6M41 K42 L43 Y47M41-G45 CarbonylContact O-C 3.58Å; M41-G45 PolarHBondContact O-N 2.99Å; K42-G45 PolarHBondContact O-N 3.41Å; K42-G45 VanDerWaalsContact O-N 3.14Å; L43-G45 VanDerWaalsContact C-N 3.26Å; L43-G45 PolarHBondContact O-N 2.69Å; G45-Y47 PolarHBondContact O-N 2.74Å
46M75.3Confident70.1Confident61 Ų6160.8 Ų60.830%0.332%0.316SS..SBendtrans-57.9-18.6-179.7-55.9-167.9-5500114.6L7 L9 M41 R44 F777L7-M46 HydrophobicContact CD2-CB 4.33Å; L9-M46 HydrophobicContact CD2-CE 4.25Å; M41-M46 HydrophobicContact CB-CB 4.5Å; M41-M46 HydrophobicContact CG-CE 4.17Å; M41-M46 PolarHBondContact O-N 2.73Å; R44-M46 HydrophobicContact CB-CE 4.27Å; R44-M46 HydrophobicContact CB-CG 3.91Å; R44-M46 HydrophobicContact CB-SD 4.42Å; R44-M46 PolarHBondContact O-N 2.85Å; M46-F777 HydrophobicContact CE-CE1 4.4Å; M46-F777 HydrophobicContact SD-CE1 4.37Å
47Y69.1Low70.2Confident82 Ų8261.3 Ų61.332%0.32232%0.319SS..  trans-131.2111.8174.9179.7-136.6000112.9A38 M41 K42 G45 A49A38-Y47 HydrophobicContact CB-CE1 4.49Å; M41-Y47 PolarHBondContact O-N 3.3Å; K42-Y47 HydrophobicContact CD-CD1 4.44Å; K42-Y47 HydrophobicContact CG-CD1 4.01Å; K42-Y47 VanDerWaalsContact CG-O 3.24Å; K42-Y47 WeakPolarHBondContact CG-O 3.31Å; G45-Y47 PolarHBondContact O-N 2.74Å; Y47-A49 HydrophobicContact CE1-CB 4.02Å; Y47-A49 HydrophobicContact CE2-CB 4.34Å
48I66.4Low70.1Confident121 Ų12165.1 Ų65.162%0.62134%0.339SS*.  trans-104.6102.9170.4-54.5178.6000109.2R50I48-R50 VanDerWaalsContact C-N 3.33Å; I48-R50 HydrophobicContact CG2-CG 3.85Å; I48-R50 PolarHBondContact O-N 3.26Å
49A59.7Low70.1Confident36 Ų3667.9 Ų67.930%0.29835%0.347SS..  trans-74.279.9175.500000111.4Y47 Q51Y47-A49 HydrophobicContact CE1-CB 4.02Å; Y47-A49 HydrophobicContact CE2-CB 4.34Å; A49-Q51 PolarHBondContact O-N 2.77Å
50R59.7Low70.3Confident226 Ų22668 Ų6885%0.85335%0.35SS*.  trans-70.832.4174-61.1-174.2-179.2162.60.1113.5I48I48-R50 VanDerWaalsContact C-N 3.33Å; I48-R50 HydrophobicContact CG2-CG 3.85Å; I48-R50 PolarHBondContact O-N 3.26Å
51Q57.1Low70.3Confident87 Ų8772.5 Ų72.541%0.40737%0.374SS..PPolyproline II helixtrans-70.9147.8177.9-72.6179.2-27.800110.5A49 S53 L618 T619A49-Q51 PolarHBondContact O-N 2.77Å; Q51-S53 PolarHBondContact O-N 3.18Å; Q51-L618 PolarHBondContact OE1-O 2.92Å; Q51-T619 HydrophobicContact CB-CG2 4.35Å; Q51-T619 VanDerWaalsContact OE1-CG2 3.23Å
52L61.9Low70.7Confident62 Ų6274.5 Ų74.533%0.32538%0.384SS..PPolyproline II helixtrans-66.1125.8175.1-77.4150.5000110F54 R582L52-F54 WeakPolarHBondContact O-CD2 3.28Å; L52-F54 PolarHBondContact O-N 3.39Å; L52-R582 VanDerWaalsContact CD1-CA 3.48Å
53S64.1Low71.2Confident53 Ų5375.1 Ų75.137%0.37139%0.389SS..PPolyproline II helixtrans-61.8132.4170.2176.50000109.3Q51 H55 H581 D622Q51-S53 PolarHBondContact O-N 3.18Å; S53-H55 PolarHBondContact O-N 2.91Å; S53-H55 WeakPolarHBondContact OG-CB 3.26Å; S53-H55 PolarHBondContact OG-N 3.41Å; S53-H55 VanDerWaalsContact OG-N 3.14Å; S53-H581 PolarHBondContact O-CE1 3.29Å; S53-D622 PolarHBondContact OG-OD2 2.62Å
54F66.6Low71.9Confident52 Ų5270.2 Ų70.223%0.22836%0.363CS..  trans-79.415.1173-76.1-104000112.3L52 G56 V57 F59 H581 T619 A625L52-F54 WeakPolarHBondContact O-CD2 3.28Å; L52-F54 PolarHBondContact O-N 3.39Å; F54-G56 PolarHBondContact O-N 2.81Å; F54-V57 HydrophobicContact CB-CB 4.25Å; F54-V57 HydrophobicContact CB-CG2 4.11Å; F54-V57 HydrophobicContact CD1-CB 4.14Å; F54-V57 HydrophobicContact CD1-CG1 4.12Å; F54-V57 HydrophobicContact CD1-CG2 3.9Å; F54-V57 HydrophobicContact CG-CG2 4.34Å; F54-V57 VanDerWaalsContact O-CB 3.28Å; F54-V57 WeakPolarHBondContact O-CB 3.14Å; F54-V57 WeakPolarHBondContact O-CG2 3.44Å; F54-V57 PolarHBondContact O-N 3.45Å; F54-F59 HydrophobicContact CD1-CE2 4.29Å; F54-F59 AromaticContact CD1-CZ 3.98Å; F54-F59 HydrophobicContact CD1-CZ 3.98Å; F54-F59 HydrophobicContact CE1-CZ 4.17Å; F54-H581 AromaticContact CE1-ND1 3.91Å; F54-H581 AromaticContact CZ-ND1 3.93Å; F54-T619 HydrophobicContact CD2-CG2 4.08Å; F54-T619 HydrophobicContact CE2-CG2 3.86Å; F54-A625 HydrophobicContact CB-CB 4.02Å
55H64.2Low72.7Confident110 Ų11073.1 Ų73.151%0.50938%0.38SS..THydrogen-bonded Turntrans-57.9121.9174.8-177.262.8000111.6S53 V57S53-H55 PolarHBondContact O-N 2.91Å; S53-H55 WeakPolarHBondContact OG-CB 3.26Å; S53-H55 PolarHBondContact OG-N 3.41Å; S53-H55 VanDerWaalsContact OG-N 3.14Å; H55-V57 VanDerWaalsContact C-N 3.29Å; H55-V57 PolarHBondContact O-N 3.21Å
56G72Confident73.3Confident36 Ų3670.9 Ų70.937%0.37136%0.357SS..THydrogen-bonded Turntrans81.1-0.3-175.800000115F54 N58 R558 A588F54-G56 PolarHBondContact O-N 2.81Å; G56-N58 PolarHBondContact O-OD1 2.93Å; G56-R558 PolarHBondContact O-NH2 3.31Å; G56-A588 VanDerWaalsContact C-CB 3.46Å; G56-A588 WeakPolarHBondContact O-CB 3.03Å
57V77.3Confident73.9Confident14 Ų1473 Ų739%0.08537%0.366CS..  trans-74.7125.7167.2-179.60000108.4F54 H55 F59 A588 P589 Y591F54-V57 HydrophobicContact CB-CB 4.25Å; F54-V57 HydrophobicContact CB-CG2 4.11Å; F54-V57 HydrophobicContact CD1-CB 4.14Å; F54-V57 HydrophobicContact CD1-CG1 4.12Å; F54-V57 HydrophobicContact CD1-CG2 3.9Å; F54-V57 HydrophobicContact CG-CG2 4.34Å; F54-V57 VanDerWaalsContact O-CB 3.28Å; F54-V57 WeakPolarHBondContact O-CB 3.14Å; F54-V57 WeakPolarHBondContact O-CG2 3.44Å; F54-V57 PolarHBondContact O-N 3.45Å; H55-V57 VanDerWaalsContact C-N 3.29Å; H55-V57 PolarHBondContact O-N 3.21Å; V57-F59 HydrophobicContact CB-CE2 4.36Å; V57-F59 HydrophobicContact CG1-CD2 4.15Å; V57-F59 HydrophobicContact CG1-CE1 4.37Å; V57-F59 HydrophobicContact CG1-CE2 3.59Å; V57-F59 HydrophobicContact CG1-CZ 3.72Å; V57-A588 HydrophobicContact CG2-CB 3.92Å; V57-P589 WeakPolarHBondContact CA-O 3.45Å; V57-P589 HydrophobicContact CG2-CG 4.45Å; V57-Y591 HydrophobicContact CG1-CD2 3.46Å; V57-Y591 VanDerWaalsContact CG1-CD2 3.46Å; V57-Y591 HydrophobicContact CG1-CE2 3.51Å
58N79.3Confident74.8Confident84 Ų8475 Ų7545%0.44938%0.383SS..EExtended strand (participates in β ladder)trans-106.9134175.5-65.321.4000108.8G56 P589 K590 Y591G56-N58 PolarHBondContact O-OD1 2.93Å; N58-P589 PolarHBondContact N-O 2.7Å; N58-K590 HydrophobicContact CB-CG 4.25Å; N58-K590 CarbonylContact O-C 3.58Å; N58-K590 WeakPolarHBondContact O-CA 3.45Å; N58-Y591 PolarHBondContact O-N 3.1Å
59F75.8Confident75.8Confident87 Ų8770.3 Ų70.338%0.38236%0.359SS..EExtended strand (participates in β ladder)trans-111.9136.5170.7-61.3-91.4000109.3F54 V57 Y591 F593F54-F59 HydrophobicContact CD1-CE2 4.29Å; F54-F59 AromaticContact CD1-CZ 3.98Å; F54-F59 HydrophobicContact CD1-CZ 3.98Å; F54-F59 HydrophobicContact CE1-CZ 4.17Å; V57-F59 HydrophobicContact CB-CE2 4.36Å; V57-F59 HydrophobicContact CG1-CD2 4.15Å; V57-F59 HydrophobicContact CG1-CE1 4.37Å; V57-F59 HydrophobicContact CG1-CE2 3.59Å; V57-F59 HydrophobicContact CG1-CZ 3.72Å; F59-Y591 CarbonylContact C-O 3.55Å; F59-Y591 WeakPolarHBondContact CA-O 3.43Å; F59-Y591 AromaticContact CD1-CD2 3.81Å; F59-Y591 HydrophobicContact CD1-CD2 3.81Å; F59-Y591 AromaticContact CD1-CG 3.99Å; F59-Y591 HydrophobicContact CD1-CG 3.99Å; F59-Y591 AromaticContact CE1-CD2 3.4Å; F59-Y591 HydrophobicContact CE1-CD2 3.4Å; F59-Y591 VanDerWaalsContact CE1-CD2 3.4Å; F59-Y591 HydrophobicContact CE1-CE2 4.16Å; F59-Y591 AromaticContact CE1-CG 3.88Å; F59-Y591 HydrophobicContact CE1-CG 3.88Å; F59-Y591 AromaticContact CZ-CD2 3.91Å; F59-Y591 HydrophobicContact CZ-CD2 3.91Å; F59-Y591 HydrophobicContact CZ-CE2 4.38Å; F59-F593 HydrophobicContact CB-CE2 4.46Å; F59-F593 AromaticContact CD1-CE2 3.89Å; F59-F593 HydrophobicContact CD1-CE2 3.89Å; F59-F593 HydrophobicContact CD1-CZ 4.06Å
60S76.1Confident77.2Confident34 Ų3475.6 Ų75.624%0.23838%0.375CS..EExtended strand (participates in β ladder)trans-132.9144.5165.467.10000111.3N62 Y591 I592 F593S60-N62 PolarHBondContact OG-OD1 3.07Å; S60-Y591 PolarHBondContact N-O 3.23Å; S60-I592 WeakPolarHBondContact O-CA 3.38Å; S60-F593 PolarHBondContact O-N 2.96Å
61I78.3Confident78.3Confident97 Ų9765.9 Ų65.950%0.49734%0.34SS..EExtended strand (participates in β ladder)trans-96.4128164-70.6168000106.3F593 I595 L631I61-F593 HydrophobicContact CG1-CB 4.29Å; I61-F593 HydrophobicContact CG1-CD2 4.07Å; I61-I595 HydrophobicContact CG1-CD1 4.39Å; I61-I595 HydrophobicContact CG2-CD1 3.91Å; I61-L631 HydrophobicContact CD1-CD2 4.48Å
62N84.6Confident79.4Confident50 Ų5065 Ų6527%0.26736%0.355SS..EExtended strand (participates in β ladder)trans-116.1111.2176.2-79.960.6000106.8S60 I592 F593 L594 I595S60-N62 PolarHBondContact OG-OD1 3.07Å; N62-I592 HydrophobicContact CB-CG2 4.04Å; N62-F593 PolarHBondContact N-O 3.14Å; N62-L594 HydrophobicContact CB-CD1 3.88Å; N62-I595 PolarHBondContact O-N 3.38Å; N62-I595 VanDerWaalsContact O-N 3.11Å
63E85.2Confident80.3Confident106 Ų10671.3 Ų71.350%0.49538%0.382SS..EExtended strand (participates in β ladder)trans-89.5132.6-179.1-173.5159.5-135.800110.9I595 N597 Q602E63-I595 CarbonylContact C-O 3.55Å; E63-I595 VanDerWaalsContact CA-O 3.27Å; E63-I595 WeakPolarHBondContact CA-O 3.31Å; E63-N597 HydrophobicContact CG-CB 3.97Å; E63-N597 WeakPolarHBondContact OE1-CA 3.49Å; E63-N597 WeakPolarHBondContact OE1-CB 3.09Å; E63-Q602 PolarHBondContact OE1-NE2 3.27Å
64V88.9Confident81.3Confident7 Ų770.8 Ų70.84%0.04237%0.374CS..EExtended strand (participates in β ladder)trans-102116.7176.1-177.50000108.3I66 V69 K131 T134 L594 I595 S596 N597V64-I66 PolarHBondContact O-N 3.02Å; V64-V69 HydrophobicContact CG1-CG2 3.7Å; V64-K131 HydrophobicContact CB-CG 4.36Å; V64-K131 HydrophobicContact CG2-CB 4.48Å; V64-K131 HydrophobicContact CG2-CG 4.09Å; V64-T134 HydrophobicContact CG2-CG2 4.29Å; V64-L594 HydrophobicContact CG2-CD1 3.53Å; V64-L594 HydrophobicContact CG2-CG 3.92Å; V64-I595 PolarHBondContact N-O 2.96Å; V64-S596 CarbonylContact O-C 3.54Å; V64-S596 VanDerWaalsContact O-CA 3.3Å; V64-S596 WeakPolarHBondContact O-CA 3.25Å; V64-N597 PolarHBondContact O-N 3.36Å; V64-N597 PolarHBondContact O-OD1 3.06Å; V64-N597 VanDerWaalsContact O-OD1 3.13Å
65L90.1Very high82.5Confident83 Ų8370.6 Ų70.644%0.43538%0.379SS..  trans-79106178-63.7179000109.8E67 N68 N597L65-E67 VanDerWaalsContact C-OE2 3.28Å; L65-E67 WeakPolarHBondContact CA-OE2 3.47Å; L65-E67 WeakPolarHBondContact CB-OE2 3.29Å; L65-E67 PolarHBondContact O-N 3.34Å; L65-E67 VanDerWaalsContact O-N 3.12Å; L65-N68 PolarHBondContact O-N 3.14Å; L65-N597 HydrophobicContact CD2-CB 4.22Å
66I88.5Confident83.8Confident1 Ų165.3 Ų65.31%0.00536%0.355CS..G310 helixtrans-59.2-21.5-177.963-163.2000113.8V64 N68 V69 F76 I77 N597 L598 V724V64-I66 PolarHBondContact O-N 3.02Å; I66-N68 PolarHBondContact O-N 3.02Å; I66-V69 PolarHBondContact O-N 3.06Å; I66-F76 HydrophobicContact CB-CD1 3.91Å; I66-F76 HydrophobicContact CB-CE1 4.32Å; I66-F76 HydrophobicContact CG2-CD1 4.06Å; I66-F76 HydrophobicContact CG2-CE1 4.02Å; I66-I77 HydrophobicContact CG1-CD1 4.34Å; I66-I77 HydrophobicContact CG1-CG1 4.28Å; I66-N597 VanDerWaalsContact CG1-OD1 3.22Å; I66-N597 WeakPolarHBondContact CG1-OD1 3.43Å; I66-N597 WeakPolarHBondContact CG2-OD1 3.38Å; I66-N597 PolarHBondContact N-OD1 2.93Å; I66-L598 HydrophobicContact CD1-CB 4.21Å; I66-L598 HydrophobicContact CD1-CD1 3.74Å; I66-L598 HydrophobicContact CG2-CB 4.4Å; I66-V724 HydrophobicContact CD1-CG1 3.41Å; I66-V724 VanDerWaalsContact CD1-CG1 3.41Å; I66-V724 HydrophobicContact CG1-CG1 4.41Å
67E86.7Confident84.7Confident104 Ų10466 Ų6649%0.48635%0.349SS..G310 helixtrans-62.7-28.9173.6-56.876.3-168.100112L65 I77 N597L65-E67 VanDerWaalsContact C-OE2 3.28Å; L65-E67 WeakPolarHBondContact CA-OE2 3.47Å; L65-E67 WeakPolarHBondContact CB-OE2 3.29Å; L65-E67 PolarHBondContact O-N 3.34Å; L65-E67 VanDerWaalsContact O-N 3.12Å; E67-I77 HydrophobicContact CG-CD1 4.23Å; E67-N597 VanDerWaalsContact CD-ND2 3.34Å; E67-N597 PolarHBondContact OE1-ND2 3.04Å; E67-N597 PolarHBondContact OE2-ND2 2.79Å
68N87.7Confident85.3Confident126 Ų12667.9 Ų67.967%0.67436%0.357SS*.G310 helixtrans-95.2-6.7178.5-62.4-44000113.1L65 I66L65-N68 PolarHBondContact O-N 3.14Å; I66-N68 PolarHBondContact O-N 3.02Å
69V88.6Confident85.9Confident21 Ų2163.9 Ų63.913%0.12734%0.336CS..  trans-86.9133.5-175.3-179.10000110.6V64 I66 F76 A130V64-V69 HydrophobicContact CG1-CG2 3.7Å; I66-V69 PolarHBondContact O-N 3.06Å; V69-F76 HydrophobicContact CB-CB 3.84Å; V69-F76 HydrophobicContact CB-CG 4.37Å; V69-F76 HydrophobicContact CG1-CB 3.81Å; V69-F76 HydrophobicContact CG1-CD2 4.21Å; V69-F76 HydrophobicContact CG1-CG 4.15Å; V69-F76 VanDerWaalsContact O-CB 3.31Å; V69-F76 WeakPolarHBondContact O-CB 3.33Å; V69-F76 PolarHBondContact O-N 3.38Å; V69-A130 HydrophobicContact CG1-CB 4.23Å
70K88.4Confident86.7Confident147 Ų14759.8 Ų59.864%0.63932%0.318SS*.EExtended strand (participates in β ladder)trans-116.2150171.2-64-170.6-179.9-1720110.8E74K70-E74 CarbonylContact C-O 3.54Å; K70-E74 WeakPolarHBondContact CA-O 3.41Å; K70-E74 WeakPolarHBondContact CB-O 3.34Å
71L84Confident87.4Confident22 Ų2259.3 Ų59.312%0.11531%0.313CS..EExtended strand (participates in β ladder)trans-115.6104.7168.6-65.3-179.6000107.2H73 E74 F76 V79 A129 P469L71-H73 PolarHBondContact O-N 2.69Å; L71-H73 VanDerWaalsContact O-N 3.14Å; L71-E74 PolarHBondContact N-O 3.48Å; L71-E74 PolarHBondContact O-N 2.61Å; L71-F76 HydrophobicContact CD1-CD2 3.77Å; L71-F76 HydrophobicContact CD1-CE2 4.28Å; L71-F76 HydrophobicContact CD2-CD2 4.37Å; L71-F76 HydrophobicContact CG-CD2 4Å; L71-V79 HydrophobicContact CD1-CB 4.13Å; L71-V79 HydrophobicContact CD1-CG1 3.96Å; L71-V79 HydrophobicContact CD1-CG2 4.37Å; L71-A129 HydrophobicContact CD2-CB 4.43Å; L71-P469 HydrophobicContact CD2-CB 4.32Å
72G79.5Confident87.9Confident69 Ų6955.5 Ų55.571%0.71129%0.293SS*.THydrogen-bonded Turntrans57.8-116.5-16600000110.9
73H81.4Confident88.3Confident195 Ų19553.1 Ų53.190%0.90328%0.28SS*.THydrogen-bonded Turntrans-93-13.7178.2-58.2-64.8000114.1L71L71-H73 PolarHBondContact O-N 2.69Å; L71-H73 VanDerWaalsContact O-N 3.14Å
74E85Confident88.6Confident41 Ų4148.3 Ų48.319%0.19226%0.258CS..EExtended strand (participates in β ladder)trans-87.9156.1-174.7-72.5-78-175.200112.5K70 L71 Q78 V79 K467K70-E74 CarbonylContact C-O 3.54Å; K70-E74 WeakPolarHBondContact CA-O 3.41Å; K70-E74 WeakPolarHBondContact CB-O 3.34Å; L71-E74 PolarHBondContact N-O 3.48Å; L71-E74 PolarHBondContact O-N 2.61Å; E74-Q78 PolarHBondContact OE2-NE2 3.41Å; E74-Q78 PolarHBondContact OE2-OE1 2.97Å; E74-V79 HydrophobicContact CB-CG2 3.73Å; E74-V79 HydrophobicContact CG-CG2 4.41Å; E74-K467 HydrophobicContact CG-CB 4.49Å; E74-K467 HydrophobicContact CG-CD 4Å; E74-K467 HydrophobicContact CG-CG 4.21Å; E74-K467 WeakPolarHBondContact OE1-CD 3.18Å; E74-K467 WeakPolarHBondContact OE1-CE 3.44Å; E74-K467 IonicContact OE1-NZ 2.7Å; E74-K467 PolarHBondContact OE1-NZ 2.71Å
75S90.8Very high88.5Confident48 Ų4850 Ų5034%0.33627%0.266SS..EExtended strand (participates in β ladder)trans-78.3139.7170.973.40000110.9I77 Q78 V79S75-I77 VanDerWaalsContact C-N 3.26Å; S75-I77 PolarHBondContact O-N 3.12Å; S75-Q78 PolarHBondContact O-N 3.44Å; S75-Q78 VanDerWaalsContact O-N 3.15Å; S75-Q78 WeakPolarHBondContact OG-CB 3.42Å; S75-Q78 PolarHBondContact OG-N 3.32Å; S75-V79 PolarHBondContact O-N 2.7Å
76F91.9Very high88.6Confident0 Ų046.4 Ų46.40%025%0.248CC..Hα-helixtrans-57.3-41.5-179.5177.6-94.8000112.3I66 V69 L71 Q78 V79 Y80 L126 A130I66-F76 HydrophobicContact CB-CD1 3.91Å; I66-F76 HydrophobicContact CB-CE1 4.32Å; I66-F76 HydrophobicContact CG2-CD1 4.06Å; I66-F76 HydrophobicContact CG2-CE1 4.02Å; V69-F76 HydrophobicContact CB-CB 3.84Å; V69-F76 HydrophobicContact CB-CG 4.37Å; V69-F76 HydrophobicContact CG1-CB 3.81Å; V69-F76 HydrophobicContact CG1-CD2 4.21Å; V69-F76 HydrophobicContact CG1-CG 4.15Å; V69-F76 VanDerWaalsContact O-CB 3.31Å; V69-F76 WeakPolarHBondContact O-CB 3.33Å; V69-F76 PolarHBondContact O-N 3.38Å; L71-F76 HydrophobicContact CD1-CD2 3.77Å; L71-F76 HydrophobicContact CD1-CE2 4.28Å; L71-F76 HydrophobicContact CD2-CD2 4.37Å; L71-F76 HydrophobicContact CG-CD2 4Å; F76-Q78 VanDerWaalsContact C-N 3.3Å; F76-Q78 PolarHBondContact O-N 2.9Å; F76-V79 PolarHBondContact O-N 2.79Å; F76-Y80 AromaticContact CE1-CD2 3.74Å; F76-Y80 HydrophobicContact CE1-CD2 3.74Å; F76-Y80 HydrophobicContact CE1-CG 4.3Å; F76-Y80 AromaticContact CZ-CD2 3.59Å; F76-Y80 HydrophobicContact CZ-CD2 3.59Å; F76-Y80 HydrophobicContact CZ-CE2 4.26Å; F76-Y80 HydrophobicContact CZ-CG 4.49Å; F76-Y80 VanDerWaalsContact O-CB 3.32Å; F76-Y80 WeakPolarHBondContact O-CB 3.3Å; F76-Y80 PolarHBondContact O-N 2.96Å; F76-L126 HydrophobicContact CE2-CB 4.22Å; F76-L126 WeakPolarHBondContact CE2-O 3.44Å; F76-L126 HydrophobicContact CZ-CB 4.38Å; F76-A130 HydrophobicContact CD2-CB 3.92Å; F76-A130 HydrophobicContact CE1-CB 4.47Å; F76-A130 HydrophobicContact CE2-CB 3.55Å; F76-A130 HydrophobicContact CZ-CB 3.84Å
77I91Very high88.8Confident50 Ų5046.7 Ų46.726%0.25625%0.249SC..Hα-helixtrans-60.2-40.3179.7-62.2176.2000111.2I66 E67 S75 Y80 N81 V724I66-I77 HydrophobicContact CG1-CD1 4.34Å; I66-I77 HydrophobicContact CG1-CG1 4.28Å; E67-I77 HydrophobicContact CG-CD1 4.23Å; S75-I77 VanDerWaalsContact C-N 3.26Å; S75-I77 PolarHBondContact O-N 3.12Å; I77-Y80 PolarHBondContact O-N 2.93Å; I77-N81 WeakPolarHBondContact O-CB 3.26Å; I77-N81 PolarHBondContact O-N 2.91Å; I77-N81 PolarHBondContact O-ND2 3.21Å; I77-V724 HydrophobicContact CG1-CG1 4.43Å; I77-V724 HydrophobicContact CG2-CB 4.18Å; I77-V724 HydrophobicContact CG2-CG2 4.18Å
78Q90.3Very high88.8Confident54 Ų5443.2 Ų43.225%0.25224%0.235SC..Hα-helixtrans-66.9-47.7178.1-178.5172.3-15.800111.5E74 S75 F76 Y80 N81 Q82E74-Q78 PolarHBondContact OE2-NE2 3.41Å; E74-Q78 PolarHBondContact OE2-OE1 2.97Å; S75-Q78 PolarHBondContact O-N 3.44Å; S75-Q78 VanDerWaalsContact O-N 3.15Å; S75-Q78 WeakPolarHBondContact OG-CB 3.42Å; S75-Q78 PolarHBondContact OG-N 3.32Å; F76-Q78 VanDerWaalsContact C-N 3.3Å; F76-Q78 PolarHBondContact O-N 2.9Å; Q78-Y80 VanDerWaalsContact C-N 3.31Å; Q78-Y80 PolarHBondContact O-N 2.72Å; Q78-N81 PolarHBondContact O-N 2.74Å; Q78-Q82 VanDerWaalsContact O-CB 3.31Å; Q78-Q82 WeakPolarHBondContact O-CB 3.47Å; Q78-Q82 VanDerWaalsContact O-CG 3.24Å; Q78-Q82 WeakPolarHBondContact O-CG 3.3Å; Q78-Q82 PolarHBondContact O-N 3.35Å
79V91.6Very high88.8Confident0 Ų039.3 Ų39.30%021%0.211CC..Hα-helixtrans-62.1-38.8175.7-179.30000111.6L71 E74 S75 F76 S83 K467 L468L71-V79 HydrophobicContact CD1-CB 4.13Å; L71-V79 HydrophobicContact CD1-CG1 3.96Å; L71-V79 HydrophobicContact CD1-CG2 4.37Å; E74-V79 HydrophobicContact CB-CG2 3.73Å; E74-V79 HydrophobicContact CG-CG2 4.41Å; S75-V79 PolarHBondContact O-N 2.7Å; F76-V79 PolarHBondContact O-N 2.79Å; V79-S83 VanDerWaalsContact O-CB 3.3Å; V79-S83 WeakPolarHBondContact O-CB 3.41Å; V79-S83 PolarHBondContact O-N 3.42Å; V79-S83 PolarHBondContact O-OG 3.19Å; V79-K467 VanDerWaalsContact CG1-O 3.31Å; V79-K467 WeakPolarHBondContact CG1-O 3.46Å; V79-K467 HydrophobicContact CG2-CB 4.19Å; V79-L468 HydrophobicContact CG1-CD2 4.04Å
80Y92.4Very high88.9Confident0 Ų038.3 Ų38.30%021%0.205CC..Hα-helixtrans-67.7-43.3178-162.7-79000112.4F76 I77 Q78 S83 T84 F123 L126 L598 L720 V724 Q727F76-Y80 AromaticContact CE1-CD2 3.74Å; F76-Y80 HydrophobicContact CE1-CD2 3.74Å; F76-Y80 HydrophobicContact CE1-CG 4.3Å; F76-Y80 AromaticContact CZ-CD2 3.59Å; F76-Y80 HydrophobicContact CZ-CD2 3.59Å; F76-Y80 HydrophobicContact CZ-CE2 4.26Å; F76-Y80 HydrophobicContact CZ-CG 4.49Å; F76-Y80 VanDerWaalsContact O-CB 3.32Å; F76-Y80 WeakPolarHBondContact O-CB 3.3Å; F76-Y80 PolarHBondContact O-N 2.96Å; I77-Y80 PolarHBondContact O-N 2.93Å; Q78-Y80 VanDerWaalsContact C-N 3.31Å; Q78-Y80 PolarHBondContact O-N 2.72Å; Y80-S83 WeakPolarHBondContact O-CB 3.43Å; Y80-S83 PolarHBondContact O-N 2.63Å; Y80-T84 PolarHBondContact O-N 3.06Å; Y80-T84 PolarHBondContact O-OG1 3.11Å; Y80-T84 VanDerWaalsContact O-OG1 3.06Å; Y80-F123 HydrophobicContact CD1-CE1 4.43Å; Y80-F123 HydrophobicContact CD2-CD1 4.38Å; Y80-F123 HydrophobicContact CE1-CD1 4.06Å; Y80-F123 HydrophobicContact CE1-CE1 4.03Å; Y80-F123 AromaticContact CE2-CD1 3.74Å; Y80-F123 HydrophobicContact CE2-CD1 3.74Å; Y80-F123 HydrophobicContact CE2-CE1 4.38Å; Y80-F123 AromaticContact CZ-CD1 3.55Å; Y80-L126 HydrophobicContact CD2-CB 4.43Å; Y80-L126 HydrophobicContact CD2-CD2 3.99Å; Y80-L598 HydrophobicContact CD2-CD2 4.49Å; Y80-L598 HydrophobicContact CE2-CD2 3.62Å; Y80-L720 PolarHBondContact OH-O 3.27Å; Y80-V724 HydrophobicContact CD1-CG2 3.6Å; Y80-V724 HydrophobicContact CE1-CG2 4.29Å; Y80-V724 HydrophobicContact CG-CG2 3.92Å; Y80-Q727 PolarHBondContact OH-NE2 2.87Å
81N90.7Very high88.9Confident25 Ų2533.1 Ų33.113%0.13418%0.181CC..Hα-helixtrans-68.1-42.6176.8-70.5-14.4000111.3I77 Q78 S83 T84 D85 R723 V724I77-N81 WeakPolarHBondContact O-CB 3.26Å; I77-N81 PolarHBondContact O-N 2.91Å; I77-N81 PolarHBondContact O-ND2 3.21Å; Q78-N81 PolarHBondContact O-N 2.74Å; N81-S83 VanDerWaalsContact C-N 3.29Å; N81-S83 PolarHBondContact O-N 2.88Å; N81-T84 WeakPolarHBondContact O-CB 3.46Å; N81-T84 PolarHBondContact O-N 2.9Å; N81-T84 VanDerWaalsContact O-N 3.13Å; N81-D85 VanDerWaalsContact O-CG 3.3Å; N81-D85 PolarHBondContact O-N 2.87Å; N81-R723 HydrophobicContact CB-CG 4.22Å; N81-R723 VanDerWaalsContact OD1-CA 3.29Å; N81-R723 WeakPolarHBondContact OD1-CA 3.39Å; N81-R723 WeakPolarHBondContact OD1-CB 3.45Å; N81-V724 PolarHBondContact OD1-N 2.85Å
82Q89.8Confident88.9Confident16 Ų1636 Ų368%0.07519%0.19CC..Hα-helixtrans-60.1-38.7173.2-75.3-178.3-5.100112.2Q78 L86 I407 L464Q78-Q82 VanDerWaalsContact O-CB 3.31Å; Q78-Q82 WeakPolarHBondContact O-CB 3.47Å; Q78-Q82 VanDerWaalsContact O-CG 3.24Å; Q78-Q82 WeakPolarHBondContact O-CG 3.3Å; Q78-Q82 PolarHBondContact O-N 3.35Å; Q82-L86 PolarHBondContact O-N 3.03Å; Q82-L86 VanDerWaalsContact O-N 3.08Å; Q82-I407 HydrophobicContact CB-CD1 3.73Å; Q82-I407 HydrophobicContact CG-CD1 3.59Å; Q82-L464 HydrophobicContact CB-CD1 3.93Å
83S92.9Very high89.4Confident0 Ų032.9 Ų32.90%016%0.157CC..Hα-helixtrans-65.8-42172.4-62.70000112.6V79 Y80 N81 L86 W87V79-S83 VanDerWaalsContact O-CB 3.3Å; V79-S83 WeakPolarHBondContact O-CB 3.41Å; V79-S83 PolarHBondContact O-N 3.42Å; V79-S83 PolarHBondContact O-OG 3.19Å; Y80-S83 WeakPolarHBondContact O-CB 3.43Å; Y80-S83 PolarHBondContact O-N 2.63Å; N81-S83 VanDerWaalsContact C-N 3.29Å; N81-S83 PolarHBondContact O-N 2.88Å; S83-L86 PolarHBondContact O-N 2.87Å; S83-W87 VanDerWaalsContact O-CD1 3.23Å; S83-W87 PolarHBondContact O-N 3.3Å
84T90.5Very high89.9Confident5 Ų523.6 Ų23.63%0.03111%0.114CC..Hα-helixtrans-58.5-49.6175-68.90000111.1Y80 N81 L86 W87 V88 G721 R723Y80-T84 PolarHBondContact O-N 3.06Å; Y80-T84 PolarHBondContact O-OG1 3.11Å; Y80-T84 VanDerWaalsContact O-OG1 3.06Å; N81-T84 WeakPolarHBondContact O-CB 3.46Å; N81-T84 PolarHBondContact O-N 2.9Å; N81-T84 VanDerWaalsContact O-N 3.13Å; T84-L86 VanDerWaalsContact C-N 3.33Å; T84-L86 PolarHBondContact O-N 3.47Å; T84-W87 PolarHBondContact O-N 2.75Å; T84-W87 VanDerWaalsContact O-N 3.11Å; T84-V88 PolarHBondContact O-N 2.75Å; T84-G721 WeakPolarHBondContact CG2-O 3.4Å; T84-R723 HydrophobicContact CG2-CG 4.06Å
85D87.8Confident89.9Confident42 Ų4222.7 Ų22.723%0.22511%0.113CC..Hα-helixtrans-58.5-46.4179-66.2-5.5000110.1N81 W87 V88 Y89 R723N81-D85 VanDerWaalsContact O-CG 3.3Å; N81-D85 PolarHBondContact O-N 2.87Å; D85-W87 VanDerWaalsContact C-N 3.34Å; D85-W87 PolarHBondContact O-N 3.29Å; D85-V88 WeakPolarHBondContact O-CB 3.47Å; D85-V88 PolarHBondContact O-N 2.84Å; D85-Y89 HydrophobicContact CB-CE2 4.15Å; D85-Y89 WeakPolarHBondContact O-CD2 3.45Å; D85-Y89 PolarHBondContact O-N 2.88Å; D85-R723 IonicContact OD1-CZ 2.71Å; D85-R723 IonicContact OD1-NE 3.69Å; D85-R723 PolarHBondContact OD1-NE 2.87Å; D85-R723 IonicContact OD1-NH2 2.73Å; D85-R723 PolarHBondContact OD1-NH2 2.9Å; D85-R723 IonicContact OD2-CZ 3.54Å; D85-R723 IonicContact OD2-NE 3.44Å; D85-R723 IonicContact OD2-NH2 3.74Å; D85-R723 PolarHBondContact OD2-NH2 3.42Å
86L91.4Very high89.7Confident9 Ų922 Ų225%0.04710%0.104CC..Hα-helixtrans-55.1-43.4173.9176.258.4000113.1Q82 S83 T84 V88 Y89 A90 F183 L457 F460 I461 L464Q82-L86 PolarHBondContact O-N 3.03Å; Q82-L86 VanDerWaalsContact O-N 3.08Å; S83-L86 PolarHBondContact O-N 2.87Å; T84-L86 VanDerWaalsContact C-N 3.33Å; T84-L86 PolarHBondContact O-N 3.47Å; L86-V88 VanDerWaalsContact C-N 3.33Å; L86-V88 PolarHBondContact O-N 2.89Å; L86-Y89 PolarHBondContact O-N 2.84Å; L86-A90 WeakPolarHBondContact O-CB 3.45Å; L86-A90 PolarHBondContact O-N 3.23Å; L86-F183 HydrophobicContact CD1-CE1 4.05Å; L86-F183 HydrophobicContact CD1-CE2 4.18Å; L86-F183 HydrophobicContact CD1-CZ 3.54Å; L86-F183 HydrophobicContact CD2-CD1 4.41Å; L86-F183 HydrophobicContact CD2-CD2 4.32Å; L86-F183 HydrophobicContact CD2-CE1 4.12Å; L86-F183 HydrophobicContact CD2-CE2 4.05Å; L86-F183 HydrophobicContact CD2-CG 4.5Å; L86-F183 HydrophobicContact CD2-CZ 3.94Å; L86-F183 HydrophobicContact CG-CD2 4.45Å; L86-F183 HydrophobicContact CG-CE1 4.24Å; L86-F183 HydrophobicContact CG-CE2 3.74Å; L86-F183 HydrophobicContact CG-CZ 3.61Å; L86-L457 HydrophobicContact CD1-CD2 4.45Å; L86-F460 HydrophobicContact CD1-CB 3.55Å; L86-F460 HydrophobicContact CD1-CD2 3.79Å; L86-F460 HydrophobicContact CD1-CG 4.09Å; L86-I461 HydrophobicContact CD2-CB 4.43Å; L86-I461 HydrophobicContact CD2-CD1 3.95Å; L86-L464 HydrophobicContact CD2-CD2 3.75Å
87W92.7Very high89.5Confident7 Ų722 Ų223%0.02710%0.104CC..Hα-helixtrans-67.3-30.8176.4-82.7101.8000113.1S83 T84 D85 Y91 F115 A118 H119 F122 F123 F183 L186S83-W87 VanDerWaalsContact O-CD1 3.23Å; S83-W87 PolarHBondContact O-N 3.3Å; T84-W87 PolarHBondContact O-N 2.75Å; T84-W87 VanDerWaalsContact O-N 3.11Å; D85-W87 VanDerWaalsContact C-N 3.34Å; D85-W87 PolarHBondContact O-N 3.29Å; W87-Y91 WeakPolarHBondContact O-CB 3.45Å; W87-Y91 PolarHBondContact O-N 3.06Å; W87-F115 AromaticContact CE3-CE1 3.94Å; W87-F115 HydrophobicContact CE3-CE1 3.94Å; W87-F115 HydrophobicContact CE3-CE2 4.23Å; W87-F115 AromaticContact CE3-CZ 3.71Å; W87-F115 HydrophobicContact CE3-CZ 3.71Å; W87-F115 HydrophobicContact CZ3-CD1 4.26Å; W87-F115 HydrophobicContact CZ3-CD2 4.33Å; W87-F115 HydrophobicContact CZ3-CE1 4.01Å; W87-F115 HydrophobicContact CZ3-CE2 4.09Å; W87-F115 HydrophobicContact CZ3-CG 4.4Å; W87-F115 AromaticContact CZ3-CZ 3.92Å; W87-F115 HydrophobicContact CZ3-CZ 3.92Å; W87-A118 HydrophobicContact CH2-CB 3.87Å; W87-H119 HydrophobicContact CD2-CB 4.28Å; W87-H119 AromaticContact CD2-CD2 3.81Å; W87-H119 HydrophobicContact CE3-CB 3.92Å; W87-H119 AromaticContact CE3-CD2 3.79Å; W87-H119 VanDerWaalsContact CH2-CA 3.49Å; W87-H119 HydrophobicContact CH2-CB 3.92Å; W87-H119 HydrophobicContact CZ2-CB 4.26Å; W87-H119 HydrophobicContact CZ3-CB 3.73Å; W87-F122 AromaticContact CE2-CG 3.95Å; W87-F122 HydrophobicContact CZ2-CB 3.71Å; W87-F122 HydrophobicContact CZ2-CD2 4.13Å; W87-F122 AromaticContact CZ2-CG 3.95Å; W87-F122 HydrophobicContact CZ2-CG 3.95Å; W87-F122 AromaticContact NE1-CD1 3.3Å; W87-F122 VanDerWaalsContact NE1-CD1 3.3Å; W87-F122 AromaticContact NE1-CD2 3.81Å; W87-F122 AromaticContact NE1-CE1 3.78Å; W87-F122 AromaticContact NE1-CG 3.35Å; W87-F122 VanDerWaalsContact NE1-CG 3.35Å; W87-F123 HydrophobicContact CB-CE2 4.34Å; W87-F123 HydrophobicContact CB-CZ 4.43Å; W87-F123 AromaticContact CD1-CE2 3.34Å; W87-F123 AromaticContact CD1-CZ 3.44Å; W87-F123 VanDerWaalsContact CD1-CZ 3.44Å; W87-F123 HydrophobicContact CD2-CE2 4.45Å; W87-F123 AromaticContact CG-CE2 3.8Å; W87-F123 HydrophobicContact CG-CE2 3.8Å; W87-F123 HydrophobicContact CG-CZ 4.11Å; W87-F123 AromaticContact NE1-CE2 3.78Å; W87-F183 HydrophobicContact CD2-CD2 4.24Å; W87-F183 HydrophobicContact CD2-CE2 4.24Å; W87-F183 AromaticContact CE2-CD2 3.74Å; W87-F183 HydrophobicContact CE3-CE2 4.44Å; W87-F183 HydrophobicContact CH2-CD2 4.02Å; W87-F183 AromaticContact CZ2-CD2 3.62Å; W87-F183 HydrophobicContact CZ2-CD2 3.62Å; W87-F183 HydrophobicContact CZ2-CE2 4.37Å; W87-F183 HydrophobicContact CZ3-CD2 4.49Å; W87-L186 HydrophobicContact CH2-CD2 3.63Å; W87-L186 HydrophobicContact CZ3-CD2 3.65Å
88V87Confident89.3Confident30 Ų3020.1 Ų20.118%0.18210%0.096CC..Hα-helixtrans-70.7-40.4172.3174.80000111.5T84 D85 L86 Y91 R92T84-V88 PolarHBondContact O-N 2.75Å; D85-V88 WeakPolarHBondContact O-CB 3.47Å; D85-V88 PolarHBondContact O-N 2.84Å; L86-V88 VanDerWaalsContact C-N 3.33Å; L86-V88 PolarHBondContact O-N 2.89Å; V88-Y91 PolarHBondContact O-N 3.42Å; V88-R92 WeakPolarHBondContact O-CG 3.33Å; V88-R92 PolarHBondContact O-N 2.85Å
89Y86.7Confident89Confident44 Ų4421.7 Ų21.717%0.17310%0.1CC..Hα-helixtrans-63.2-43.8172.1-69-69000111.6D85 L86 Y91 R92 F93 W408 L421D85-Y89 HydrophobicContact CB-CE2 4.15Å; D85-Y89 WeakPolarHBondContact O-CD2 3.45Å; D85-Y89 PolarHBondContact O-N 2.88Å; L86-Y89 PolarHBondContact O-N 2.84Å; Y89-Y91 PolarHBondContact O-N 2.91Å; Y89-R92 PolarHBondContact O-N 2.76Å; Y89-F93 WeakPolarHBondContact O-CG 3.46Å; Y89-F93 PolarHBondContact O-N 3.06Å; Y89-W408 AromaticContact CD1-CH2 3.99Å; Y89-W408 HydrophobicContact CD1-CH2 3.99Å; Y89-W408 AromaticContact CD2-CH2 3.62Å; Y89-W408 HydrophobicContact CD2-CH2 3.62Å; Y89-W408 AromaticContact CD2-CZ2 3.66Å; Y89-W408 HydrophobicContact CD2-CZ2 3.66Å; Y89-W408 AromaticContact CE1-CH2 3.79Å; Y89-W408 HydrophobicContact CE1-CH2 3.79Å; Y89-W408 HydrophobicContact CE1-CZ2 4.25Å; Y89-W408 AromaticContact CE2-CH2 3.46Å; Y89-W408 HydrophobicContact CE2-CH2 3.46Å; Y89-W408 VanDerWaalsContact CE2-CH2 3.46Å; Y89-W408 AromaticContact CE2-CZ2 3.18Å; Y89-W408 HydrophobicContact CE2-CZ2 3.18Å; Y89-W408 AromaticContact CG-CH2 3.92Å; Y89-W408 HydrophobicContact CG-CH2 3.92Å; Y89-W408 HydrophobicContact CG-CZ2 4.42Å; Y89-W408 AromaticContact CZ-CH2 3.54Å; Y89-W408 AromaticContact CZ-CZ2 3.52Å; Y89-L421 HydrophobicContact CD1-CD1 3.95Å; Y89-L421 HydrophobicContact CE1-CD1 3.59Å; Y89-L421 HydrophobicContact CE1-CD2 3.78Å; Y89-L421 HydrophobicContact CE1-CG 4.33Å
90A91.1Very high88.7Confident0 Ų022.8 Ų22.80%011%0.105CC..Hα-helixtrans-58.7-46.4173.900000111.3L86 R92 F93 F94 F115 F183 L457L86-A90 WeakPolarHBondContact O-CB 3.45Å; L86-A90 PolarHBondContact O-N 3.23Å; A90-R92 VanDerWaalsContact C-N 3.32Å; A90-R92 PolarHBondContact O-N 2.9Å; A90-F93 PolarHBondContact O-N 3.34Å; A90-F94 HydrophobicContact CB-CD2 4.48Å; A90-F94 WeakPolarHBondContact O-CB 3.3Å; A90-F94 VanDerWaalsContact O-CD2 3.3Å; A90-F94 WeakPolarHBondContact O-CD2 3.49Å; A90-F94 PolarHBondContact O-N 2.82Å; A90-F115 HydrophobicContact CB-CE2 3.9Å; A90-F115 HydrophobicContact CB-CZ 4.24Å; A90-F183 HydrophobicContact CB-CE2 3.92Å; A90-F183 HydrophobicContact CB-CZ 3.96Å; A90-L457 HydrophobicContact CB-CD1 4.39Å; A90-L457 HydrophobicContact CB-CD2 4.2Å
91Y88.8Confident88.3Confident38 Ų3824.6 Ų24.615%0.14912%0.115CC..Hα-helixtrans-57.9-42.7177.3-177.3-105.3000112.4W87 V88 Y89 S95 W112 F115 W116 G696W87-Y91 WeakPolarHBondContact O-CB 3.45Å; W87-Y91 PolarHBondContact O-N 3.06Å; V88-Y91 PolarHBondContact O-N 3.42Å; Y89-Y91 PolarHBondContact O-N 2.91Å; Y91-S95 WeakPolarHBondContact O-CB 3.14Å; Y91-S95 PolarHBondContact O-N 2.66Å; Y91-S95 PolarHBondContact O-OG 2.91Å; Y91-W112 AromaticContact CD2-CH2 3.38Å; Y91-W112 HydrophobicContact CD2-CH2 3.38Å; Y91-W112 HydrophobicContact CD2-CZ2 4.46Å; Y91-W112 AromaticContact CD2-CZ3 3.46Å; Y91-W112 HydrophobicContact CD2-CZ3 3.46Å; Y91-W112 VanDerWaalsContact CD2-CZ3 3.46Å; Y91-W112 HydrophobicContact CE2-CE3 4.48Å; Y91-W112 AromaticContact CE2-CH2 3.37Å; Y91-W112 HydrophobicContact CE2-CH2 3.37Å; Y91-W112 HydrophobicContact CE2-CZ2 4.08Å; Y91-W112 AromaticContact CE2-CZ3 3.62Å; Y91-W112 HydrophobicContact CE2-CZ3 3.62Å; Y91-W112 HydrophobicContact CG-CH2 4.34Å; Y91-F115 HydrophobicContact CD2-CE1 4.28Å; Y91-F115 HydrophobicContact CD2-CZ 4.33Å; Y91-W116 HydrophobicContact CD2-CH2 4.02Å; Y91-W116 AromaticContact CD2-CZ2 3.72Å; Y91-W116 HydrophobicContact CD2-CZ2 3.72Å; Y91-W116 HydrophobicContact CE2-CH2 4.35Å; Y91-W116 AromaticContact CE2-CZ2 3.71Å; Y91-W116 HydrophobicContact CE2-CZ2 3.71Å; Y91-G696 WeakPolarHBondContact CD1-O 3.33Å
92R84.1Confident87.8Confident82 Ų8230.7 Ų30.731%0.30915%0.147SC..Hα-helixtrans-64-50.3175.8-69.4178.5-171.3-155.13.7112V88 Y89 A90 S95 E96 L421V88-R92 WeakPolarHBondContact O-CG 3.33Å; V88-R92 PolarHBondContact O-N 2.85Å; Y89-R92 PolarHBondContact O-N 2.76Å; A90-R92 VanDerWaalsContact C-N 3.32Å; A90-R92 PolarHBondContact O-N 2.9Å; R92-S95 WeakPolarHBondContact O-CB 3.22Å; R92-S95 PolarHBondContact O-N 3.03Å; R92-E96 PolarHBondContact O-N 2.79Å; R92-L421 VanDerWaalsContact NH1-CD1 3.26Å
93F90.1Very high87.3Confident4 Ų430.1 Ų30.12%0.01815%0.145CC..Hα-helixtrans-70.3-36.3-176.6-67.1-4.6000113.1Y89 A90 S95 A97 F191 M453 L456 L457 F460Y89-F93 WeakPolarHBondContact O-CG 3.46Å; Y89-F93 PolarHBondContact O-N 3.06Å; A90-F93 PolarHBondContact O-N 3.34Å; F93-S95 VanDerWaalsContact C-N 3.26Å; F93-S95 PolarHBondContact O-N 3.1Å; F93-A97 WeakPolarHBondContact O-CB 3.37Å; F93-A97 PolarHBondContact O-N 3.5Å; F93-F191 HydrophobicContact CB-CE2 3.9Å; F93-F191 HydrophobicContact CB-CZ 4.16Å; F93-M453 HydrophobicContact CB-CB 4.17Å; F93-M453 HydrophobicContact CB-CG 4.3Å; F93-M453 HydrophobicContact CB-SD 3.8Å; F93-M453 HydrophobicContact CD1-CG 4.17Å; F93-M453 HydrophobicContact CD1-SD 3.77Å; F93-M453 HydrophobicContact CD2-CB 3.92Å; F93-M453 HydrophobicContact CD2-CG 4.03Å; F93-M453 HydrophobicContact CD2-SD 4.48Å; F93-M453 HydrophobicContact CE2-CG 4.43Å; F93-M453 HydrophobicContact CG-CB 4.08Å; F93-M453 HydrophobicContact CG-CG 3.92Å; F93-M453 HydrophobicContact CG-SD 3.77Å; F93-L456 HydrophobicContact CE2-CB 4.41Å; F93-L456 HydrophobicContact CE2-CD2 3.76Å; F93-L456 HydrophobicContact CE2-CG 4.14Å; F93-L456 HydrophobicContact CZ-CD2 3.86Å; F93-L457 HydrophobicContact CB-CD1 4.37Å; F93-L457 HydrophobicContact CD2-CD1 4.27Å; F93-L457 HydrophobicContact CD2-CD2 3.71Å; F93-L457 HydrophobicContact CD2-CG 3.8Å; F93-L457 HydrophobicContact CE2-CD2 4.16Å; F93-L457 HydrophobicContact CE2-CG 4.45Å; F93-F460 HydrophobicContact CE2-CE2 4.35Å
94F90.8Very high86.8Confident0 Ų033.5 Ų33.50%017%0.168CC..Hα-helixtrans-63.1-33.7171.1-91.5-98000111.8A90 S98 M111 W112 F115 L186 F191 L457A90-F94 HydrophobicContact CB-CD2 4.48Å; A90-F94 WeakPolarHBondContact O-CB 3.3Å; A90-F94 VanDerWaalsContact O-CD2 3.3Å; A90-F94 WeakPolarHBondContact O-CD2 3.49Å; A90-F94 PolarHBondContact O-N 2.82Å; F94-S98 WeakPolarHBondContact O-CB 3.26Å; F94-S98 PolarHBondContact O-N 3.23Å; F94-S98 PolarHBondContact O-OG 3.03Å; F94-M111 HydrophobicContact CD1-CE 4.19Å; F94-M111 HydrophobicContact CD1-CG 3.71Å; F94-M111 HydrophobicContact CD1-SD 3.73Å; F94-M111 HydrophobicContact CE1-CG 3.81Å; F94-M111 HydrophobicContact CE1-SD 4.34Å; F94-W112 HydrophobicContact CB-CH2 3.92Å; F94-W112 HydrophobicContact CB-CZ2 4.45Å; F94-W112 HydrophobicContact CB-CZ3 4.39Å; F94-F115 HydrophobicContact CB-CD2 4.42Å; F94-F115 HydrophobicContact CB-CE2 4.38Å; F94-F115 HydrophobicContact CD1-CD2 4.09Å; F94-F115 AromaticContact CD2-CD2 3.76Å; F94-F115 HydrophobicContact CD2-CD2 3.76Å; F94-F115 AromaticContact CD2-CE2 3.7Å; F94-F115 HydrophobicContact CD2-CE2 3.7Å; F94-F115 HydrophobicContact CE1-CD2 4.27Å; F94-F115 AromaticContact CE2-CD2 3.93Å; F94-F115 HydrophobicContact CE2-CD2 3.93Å; F94-F115 HydrophobicContact CE2-CE2 4.1Å; F94-F115 AromaticContact CG-CD2 3.84Å; F94-F115 HydrophobicContact CG-CD2 3.84Å; F94-F115 HydrophobicContact CG-CE2 4.04Å; F94-F115 HydrophobicContact CZ-CD2 4.2Å; F94-L186 HydrophobicContact CE2-CD2 4.38Å; F94-L186 HydrophobicContact CE2-CG 4.44Å; F94-L186 HydrophobicContact CZ-CD1 4.25Å; F94-L186 HydrophobicContact CZ-CD2 4.24Å; F94-L186 HydrophobicContact CZ-CG 3.88Å; F94-F191 HydrophobicContact CD1-CD2 4.46Å; F94-F191 AromaticContact CD2-CD2 3.67Å; F94-F191 HydrophobicContact CD2-CD2 3.67Å; F94-F191 AromaticContact CD2-CE2 3.97Å; F94-F191 HydrophobicContact CD2-CE2 3.97Å; F94-F191 HydrophobicContact CE1-CB 4.36Å; F94-F191 HydrophobicContact CE1-CD2 4.34Å; F94-F191 HydrophobicContact CE2-CB 4.46Å; F94-F191 AromaticContact CE2-CD2 3.54Å; F94-F191 HydrophobicContact CE2-CD2 3.54Å; F94-F191 HydrophobicContact CE2-CE2 4.28Å; F94-F191 HydrophobicContact CE2-CG 4.47Å; F94-F191 HydrophobicContact CG-CD2 4.16Å; F94-F191 HydrophobicContact CG-CE2 4.37Å; F94-F191 HydrophobicContact CZ-CB 4Å; F94-F191 AromaticContact CZ-CD2 3.88Å; F94-F191 HydrophobicContact CZ-CD2 3.88Å; F94-F191 HydrophobicContact CZ-CG 4.4Å; F94-L457 HydrophobicContact CD2-CD1 4.46Å; F94-L457 HydrophobicContact CE2-CD1 4.33Å
95S86.2Confident86.2Confident23 Ų2337.1 Ų37.116%0.16119%0.187CC..Hα-helixtrans-71.6-50.7175.6-56.10000111.5Y91 R92 F93 A97 S98 R99Y91-S95 WeakPolarHBondContact O-CB 3.14Å; Y91-S95 PolarHBondContact O-N 2.66Å; Y91-S95 PolarHBondContact O-OG 2.91Å; R92-S95 WeakPolarHBondContact O-CB 3.22Å; R92-S95 PolarHBondContact O-N 3.03Å; F93-S95 VanDerWaalsContact C-N 3.26Å; F93-S95 PolarHBondContact O-N 3.1Å; S95-A97 PolarHBondContact O-N 3.39Å; S95-S98 WeakPolarHBondContact O-CA 3.33Å; S95-S98 VanDerWaalsContact O-CB 3.28Å; S95-S98 WeakPolarHBondContact O-CB 3.44Å; S95-S98 PolarHBondContact O-N 2.95Å; S95-R99 PolarHBondContact O-N 3.05Å; S95-R99 VanDerWaalsContact O-N 3.12Å
96E85.1Confident85.8Confident32 Ų3241.3 Ų41.315%0.1520%0.2CC..Hα-helixtrans-63.5-40.9179.4178.863.6176.700112.1R92 S98 R99 L100 F374 M453R92-E96 PolarHBondContact O-N 2.79Å; E96-S98 PolarHBondContact O-N 3.43Å; E96-R99 VanDerWaalsContact CD-NH2 3.33Å; E96-R99 PolarHBondContact O-N 3.33Å; E96-R99 IonicContact OE1-CZ 2.76Å; E96-R99 IonicContact OE1-NE 3.94Å; E96-R99 IonicContact OE1-NH2 2.93Å; E96-R99 PolarHBondContact OE1-NH2 3.03Å; E96-R99 IonicContact OE2-CZ 3.73Å; E96-R99 IonicContact OE2-NE 3.95Å; E96-R99 PolarHBondContact OE2-NE 2.96Å; E96-R99 IonicContact OE2-NH2 3.3Å; E96-R99 PolarHBondContact OE2-NH2 2.99Å; E96-L100 HydrophobicContact CG-CD1 3.9Å; E96-L100 HydrophobicContact CG-CG 4.3Å; E96-L100 WeakPolarHBondContact O-CB 3.37Å; E96-L100 WeakPolarHBondContact O-CG 3.46Å; E96-L100 PolarHBondContact O-N 2.8Å; E96-F374 HydrophobicContact CB-CZ 4.35Å; E96-F374 VanDerWaalsContact OE2-CE1 3.23Å; E96-F374 WeakPolarHBondContact OE2-CE1 3.43Å; E96-F374 WeakPolarHBondContact OE2-CZ 3.18Å; E96-M453 HydrophobicContact CB-CE 4.34Å; E96-M453 HydrophobicContact CB-SD 4.23Å; E96-M453 HydrophobicContact CG-CE 4.01Å; E96-M453 HydrophobicContact CG-SD 4.13Å
97A88.4Confident85.4Confident0 Ų041.2 Ų41.20%020%0.199CC..Hα-helixtrans-67.4-20.3173.700000113.3F93 S95 F191 P192 M453F93-A97 WeakPolarHBondContact O-CB 3.37Å; F93-A97 PolarHBondContact O-N 3.5Å; S95-A97 PolarHBondContact O-N 3.39Å; A97-F191 HydrophobicContact CB-CE1 3.66Å; A97-F191 HydrophobicContact CB-CE2 4.48Å; A97-F191 HydrophobicContact CB-CZ 3.58Å; A97-P192 HydrophobicContact CB-CB 3.9Å; A97-P192 HydrophobicContact CB-CG 3.91Å; A97-M453 HydrophobicContact CB-CE 3.94Å
98S85.8Confident85Confident12 Ų1243.1 Ų43.18%0.08421%0.206CC..Hα-helixtrans-74.6-40.5170.6-60.60000112.3F94 S95 E96 D102 L103 M111F94-S98 WeakPolarHBondContact O-CB 3.26Å; F94-S98 PolarHBondContact O-N 3.23Å; F94-S98 PolarHBondContact O-OG 3.03Å; S95-S98 WeakPolarHBondContact O-CA 3.33Å; S95-S98 VanDerWaalsContact O-CB 3.28Å; S95-S98 WeakPolarHBondContact O-CB 3.44Å; S95-S98 PolarHBondContact O-N 2.95Å; E96-S98 PolarHBondContact O-N 3.43Å; S98-D102 PolarHBondContact O-N 3.36Å; S98-L103 PolarHBondContact O-N 3.5Å; S98-M111 WeakPolarHBondContact OG-CE 3.26Å
99R84.6Confident84.5Confident87 Ų8748.4 Ų48.433%0.32823%0.227SC..Hα-helixtrans-69-42.6177.3-173.8-177.779.173.47.9112.2S95 E96 L101 D371S95-R99 PolarHBondContact O-N 3.05Å; S95-R99 VanDerWaalsContact O-N 3.12Å; E96-R99 VanDerWaalsContact CD-NH2 3.33Å; E96-R99 PolarHBondContact O-N 3.33Å; E96-R99 IonicContact OE1-CZ 2.76Å; E96-R99 IonicContact OE1-NE 3.94Å; E96-R99 IonicContact OE1-NH2 2.93Å; E96-R99 PolarHBondContact OE1-NH2 3.03Å; E96-R99 IonicContact OE2-CZ 3.73Å; E96-R99 IonicContact OE2-NE 3.95Å; E96-R99 PolarHBondContact OE2-NE 2.96Å; E96-R99 IonicContact OE2-NH2 3.3Å; E96-R99 PolarHBondContact OE2-NH2 2.99Å; R99-L101 VanDerWaalsContact C-N 3.32Å; R99-L101 PolarHBondContact O-N 2.74Å; R99-D371 HydrophobicContact CG-CB 4.47Å; R99-D371 WeakPolarHBondContact CG-OD1 3.47Å
100L86.3Confident84.3Confident22 Ų2248.8 Ų48.812%0.11523%0.234CC..Hα-helixtrans-69.2-24.2-178.8-73.7174.3000114.1E96 V441 A446 Q449 M453E96-L100 HydrophobicContact CG-CD1 3.9Å; E96-L100 HydrophobicContact CG-CG 4.3Å; E96-L100 WeakPolarHBondContact O-CB 3.37Å; E96-L100 WeakPolarHBondContact O-CG 3.46Å; E96-L100 PolarHBondContact O-N 2.8Å; L100-V441 HydrophobicContact CD2-CB 4.43Å; L100-V441 HydrophobicContact CD2-CG2 4.22Å; L100-A446 HydrophobicContact CB-CB 4.15Å; L100-A446 HydrophobicContact CD2-CB 4.34Å; L100-A446 WeakPolarHBondContact O-CB 3.35Å; L100-Q449 HydrophobicContact CD1-CB 3.96Å; L100-M453 HydrophobicContact CD1-CE 3.9Å
101L83.5Confident84.2Confident39 Ų3948.9 Ų48.920%0.20423%0.234CC..THydrogen-bonded Turntrans-112.86-175.5-62.5-178.5000114.6R99 L103 P192 K447 C450R99-L101 VanDerWaalsContact C-N 3.32Å; R99-L101 PolarHBondContact O-N 2.74Å; L101-L103 HydrophobicContact CB-CD2 3.71Å; L101-L103 HydrophobicContact CB-CG 4.23Å; L101-L103 PolarHBondContact O-N 2.78Å; L101-P192 HydrophobicContact CD1-CB 3.86Å; L101-K447 HydrophobicContact CD2-CG 4.16Å; L101-C450 HydrophobicContact CD1-CB 4.28Å
102D79.6Confident84.1Confident152 Ų15249.5 Ų49.581%0.81324%0.237SC*.THydrogen-bonded Turntrans47.458.2-179.8-166.17.1000112.9S98 S104S98-D102 PolarHBondContact O-N 3.36Å; D102-S104 PolarHBondContact O-N 2.86Å
103L79.6Confident83.8Confident5 Ų547.4 Ų47.43%0.02624%0.24CC..  trans-73.3123.7-168.2-61.9-177.4000113.2S98 L101 Y107 R108 M111 P192 V197S98-L103 PolarHBondContact O-N 3.5Å; L101-L103 HydrophobicContact CB-CD2 3.71Å; L101-L103 HydrophobicContact CB-CG 4.23Å; L101-L103 PolarHBondContact O-N 2.78Å; L103-Y107 HydrophobicContact CD1-CD1 3.77Å; L103-Y107 HydrophobicContact CD1-CE1 4.02Å; L103-Y107 HydrophobicContact CD2-CD1 4.48Å; L103-R108 PolarHBondContact O-NE 2.93Å; L103-R108 VanDerWaalsContact O-NE 3.14Å; L103-R108 PolarHBondContact O-NH2 3.17Å; L103-M111 HydrophobicContact CD1-SD 4.25Å; L103-P192 HydrophobicContact CD1-CB 3.69Å; L103-P192 HydrophobicContact CD1-CG 3.55Å; L103-P192 HydrophobicContact CD2-CB 4.42Å; L103-V197 HydrophobicContact CD2-CG1 4.49Å; L103-V197 HydrophobicContact CD2-CG2 3.62Å
104S82Confident83.7Confident70 Ų7049.5 Ų49.549%0.4925%0.25SS..  trans-48.4145.1170.871.20000113.3D102 R106 Y107 R108D102-S104 PolarHBondContact O-N 2.86Å; S104-R106 PolarHBondContact O-N 3.35Å; S104-R106 VanDerWaalsContact O-N 3.08Å; S104-Y107 PolarHBondContact O-N 3.04Å; S104-R108 PolarHBondContact O-N 3.44Å
105D77.7Confident83.7Confident81 Ų8149.5 Ų49.543%0.43325%0.25SS..Hα-helixtrans-54.1-34.7-179.9-68.3-63.4000113.3R108 K109D105-R108 IonicContact OD1-CZ 2.75Å; D105-R108 VanDerWaalsContact OD1-CZ 3.25Å; D105-R108 IonicContact OD1-NH1 3.57Å; D105-R108 PolarHBondContact OD1-NH1 3.36Å; D105-R108 IonicContact OD1-NH2 2.74Å; D105-R108 PolarHBondContact OD1-NH2 3.1Å; D105-K109 HydrophobicContact CB-CD 4.49Å; D105-K109 WeakPolarHBondContact O-CB 3.47Å; D105-K109 WeakPolarHBondContact O-CD 3.2Å; D105-K109 WeakPolarHBondContact O-CG 3.39Å; D105-K109 PolarHBondContact O-N 2.99Å
106R79.5Confident83.8Confident131 Ų13150.2 Ų50.249%0.49425%0.249SC..Hα-helixtrans-65.7-42.7-179.8-166.7-173.5177.8-174.11.1111.2S104 T110 F200S104-R106 PolarHBondContact O-N 3.35Å; S104-R106 VanDerWaalsContact O-N 3.08Å; R106-T110 PolarHBondContact O-N 2.89Å; R106-T110 PolarHBondContact O-OG1 2.94Å; R106-F200 HydrophobicContact CB-CE1 4.33Å; R106-F200 HydrophobicContact CG-CE1 4.01Å; R106-F200 HydrophobicContact CG-CZ 4.03Å
107Y84.7Confident83.7Confident7 Ų750.9 Ų50.93%0.02726%0.257CS..Hα-helixtrans-67.1-54.4173.8-169.6-75.5000109.9L103 S104 K109 T110 M111 Y190 F191 P192 V197 F200L103-Y107 HydrophobicContact CD1-CD1 3.77Å; L103-Y107 HydrophobicContact CD1-CE1 4.02Å; L103-Y107 HydrophobicContact CD2-CD1 4.48Å; S104-Y107 PolarHBondContact O-N 3.04Å; Y107-K109 PolarHBondContact O-N 3.33Å; Y107-T110 PolarHBondContact O-N 3.25Å; Y107-M111 HydrophobicContact CD1-CB 3.99Å; Y107-M111 HydrophobicContact CD1-SD 4.32Å; Y107-M111 HydrophobicContact CE1-CB 3.84Å; Y107-M111 HydrophobicContact CE1-CG 3.99Å; Y107-M111 HydrophobicContact CE1-SD 3.94Å; Y107-M111 VanDerWaalsContact O-CB 3.31Å; Y107-M111 WeakPolarHBondContact O-CB 3.39Å; Y107-M111 PolarHBondContact O-N 2.9Å; Y107-Y190 PolarHBondContact OH-O 2.83Å; Y107-F191 PolarHBondContact OH-O 3.36Å; Y107-P192 HydrophobicContact CE1-CG 4.27Å; Y107-V197 HydrophobicContact CD2-CG2 4.21Å; Y107-V197 HydrophobicContact CE2-CB 4.46Å; Y107-V197 HydrophobicContact CE2-CG2 3.91Å; Y107-F200 HydrophobicContact CD2-CB 3.66Å; Y107-F200 AromaticContact CD2-CD1 3.67Å; Y107-F200 HydrophobicContact CD2-CD1 3.67Å; Y107-F200 HydrophobicContact CD2-CD2 4.11Å; Y107-F200 HydrophobicContact CD2-CE1 4.32Å; Y107-F200 AromaticContact CD2-CG 3.54Å; Y107-F200 HydrophobicContact CD2-CG 3.54Å; Y107-F200 HydrophobicContact CE2-CB 3.76Å; Y107-F200 HydrophobicContact CE2-CD2 4.42Å; Y107-F200 HydrophobicContact CE2-CG 4.02Å; Y107-F200 HydrophobicContact CG-CD1 4.38Å
108R82.5Confident83.8Confident46 Ų4651 Ų5117%0.17426%0.258CS..Hα-helixtrans-58.2-40.2-175.2176.5158.932.973.56.4113.2L103 S104 D105 W112L103-R108 PolarHBondContact O-NE 2.93Å; L103-R108 VanDerWaalsContact O-NE 3.14Å; L103-R108 PolarHBondContact O-NH2 3.17Å; S104-R108 PolarHBondContact O-N 3.44Å; D105-R108 IonicContact OD1-CZ 2.75Å; D105-R108 VanDerWaalsContact OD1-CZ 3.25Å; D105-R108 IonicContact OD1-NH1 3.57Å; D105-R108 PolarHBondContact OD1-NH1 3.36Å; D105-R108 IonicContact OD1-NH2 2.74Å; D105-R108 PolarHBondContact OD1-NH2 3.1Å; R108-W112 VanDerWaalsContact O-CD1 3.29Å; R108-W112 PolarHBondContact O-N 2.87Å; R108-W112 VanDerWaalsContact O-N 3.09Å
109K78.2Confident84Confident141 Ų14150.5 Ų50.561%0.61325%0.254SS*.Hα-helixtrans-64.1-44.5172.3-72.6167.9-177.11730112.2D105 Y107 G113D105-K109 HydrophobicContact CB-CD 4.49Å; D105-K109 WeakPolarHBondContact O-CB 3.47Å; D105-K109 WeakPolarHBondContact O-CD 3.2Å; D105-K109 WeakPolarHBondContact O-CG 3.39Å; D105-K109 PolarHBondContact O-N 2.99Å; Y107-K109 PolarHBondContact O-N 3.33Å; K109-G113 PolarHBondContact O-N 3.42Å; K109-G113 VanDerWaalsContact O-N 3.07Å
110T81.4Confident84Confident53 Ų5348.9 Ų48.933%0.32525%0.251SS..Hα-helixtrans-66.3-46.4179.4-520000111.6R106 Y107 G113 Q114 F200R106-T110 PolarHBondContact O-N 2.89Å; R106-T110 PolarHBondContact O-OG1 2.94Å; Y107-T110 PolarHBondContact O-N 3.25Å; T110-G113 PolarHBondContact O-N 2.89Å; T110-Q114 WeakPolarHBondContact O-CG 3.39Å; T110-Q114 PolarHBondContact O-N 3.24Å; T110-F200 HydrophobicContact CG2-CE2 4.02Å
111M88.6Confident84Confident2 Ų252.5 Ų52.51%0.0126%0.263CS..Hα-helixtrans-56.6-52.3178.1-177.9-160.480.500111.6F94 S98 L103 Y107 G113 Q114 F115 P192F94-M111 HydrophobicContact CD1-CE 4.19Å; F94-M111 HydrophobicContact CD1-CG 3.71Å; F94-M111 HydrophobicContact CD1-SD 3.73Å; F94-M111 HydrophobicContact CE1-CG 3.81Å; F94-M111 HydrophobicContact CE1-SD 4.34Å; S98-M111 WeakPolarHBondContact OG-CE 3.26Å; L103-M111 HydrophobicContact CD1-SD 4.25Å; Y107-M111 HydrophobicContact CD1-CB 3.99Å; Y107-M111 HydrophobicContact CD1-SD 4.32Å; Y107-M111 HydrophobicContact CE1-CB 3.84Å; Y107-M111 HydrophobicContact CE1-CG 3.99Å; Y107-M111 HydrophobicContact CE1-SD 3.94Å; Y107-M111 VanDerWaalsContact O-CB 3.31Å; Y107-M111 WeakPolarHBondContact O-CB 3.39Å; Y107-M111 PolarHBondContact O-N 2.9Å; M111-G113 PolarHBondContact O-N 3.12Å; M111-Q114 PolarHBondContact O-N 3.35Å; M111-F115 WeakPolarHBondContact O-CB 3.39Å; M111-F115 PolarHBondContact O-N 3.39Å; M111-P192 HydrophobicContact SD-CG 3.6Å; M111-P192 VanDerWaalsContact SD-CG 3.6Å
112W87.3Confident84.4Confident51 Ų5150.6 Ų50.619%0.19325%0.253CS..Hα-helixtrans-66.8-36.1178.1-78.1123.6000113.1Y91 F94 R108 F115 W116Y91-W112 AromaticContact CD2-CH2 3.38Å; Y91-W112 HydrophobicContact CD2-CH2 3.38Å; Y91-W112 HydrophobicContact CD2-CZ2 4.46Å; Y91-W112 AromaticContact CD2-CZ3 3.46Å; Y91-W112 HydrophobicContact CD2-CZ3 3.46Å; Y91-W112 VanDerWaalsContact CD2-CZ3 3.46Å; Y91-W112 HydrophobicContact CE2-CE3 4.48Å; Y91-W112 AromaticContact CE2-CH2 3.37Å; Y91-W112 HydrophobicContact CE2-CH2 3.37Å; Y91-W112 HydrophobicContact CE2-CZ2 4.08Å; Y91-W112 AromaticContact CE2-CZ3 3.62Å; Y91-W112 HydrophobicContact CE2-CZ3 3.62Å; Y91-W112 HydrophobicContact CG-CH2 4.34Å; F94-W112 HydrophobicContact CB-CH2 3.92Å; F94-W112 HydrophobicContact CB-CZ2 4.45Å; F94-W112 HydrophobicContact CB-CZ3 4.39Å; R108-W112 VanDerWaalsContact O-CD1 3.29Å; R108-W112 PolarHBondContact O-N 2.87Å; R108-W112 VanDerWaalsContact O-N 3.09Å; W112-F115 HydrophobicContact CE3-CB 3.97Å; W112-F115 AromaticContact CE3-CD1 3.92Å; W112-F115 HydrophobicContact CE3-CD1 3.92Å; W112-F115 HydrophobicContact CE3-CD2 4.43Å; W112-F115 AromaticContact CE3-CG 3.86Å; W112-F115 HydrophobicContact CE3-CG 3.86Å; W112-F115 HydrophobicContact CZ3-CB 4.34Å; W112-F115 AromaticContact CZ3-CD1 3.73Å; W112-F115 HydrophobicContact CZ3-CD1 3.73Å; W112-F115 AromaticContact CZ3-CD2 3.96Å; W112-F115 HydrophobicContact CZ3-CD2 3.96Å; W112-F115 AromaticContact CZ3-CE1 3.96Å; W112-F115 HydrophobicContact CZ3-CE1 3.96Å; W112-F115 HydrophobicContact CZ3-CE2 4.17Å; W112-F115 AromaticContact CZ3-CG 3.75Å; W112-F115 HydrophobicContact CZ3-CG 3.75Å; W112-F115 HydrophobicContact CZ3-CZ 4.18Å; W112-F115 PolarHBondContact O-N 3.09Å; W112-W116 AromaticContact CE3-NE1 3.58Å; W112-W116 HydrophobicContact CZ3-CZ2 4.47Å; W112-W116 PolarHBondContact O-N 3.16Å
113G78.5Confident84.9Confident37 Ų3743.4 Ų43.438%0.38121%0.214SC..Hα-helixtrans-56.6-50.9171.800000111.7K109 T110 M111 W116 S117K109-G113 PolarHBondContact O-N 3.42Å; K109-G113 VanDerWaalsContact O-N 3.07Å; T110-G113 PolarHBondContact O-N 2.89Å; M111-G113 PolarHBondContact O-N 3.12Å; G113-W116 PolarHBondContact O-N 2.9Å; G113-S117 WeakPolarHBondContact O-CB 3.38Å; G113-S117 PolarHBondContact O-N 3.05Å; G113-S117 PolarHBondContact O-OG 3.39Å
114Q87.8Confident85.2Confident49 Ų4945.2 Ų45.223%0.22922%0.222CC..Hα-helixtrans-67.5-40.1179.7-67.9-66.5-25.200113T110 M111 W116 S117 A118 L186 Y190T110-Q114 WeakPolarHBondContact O-CG 3.39Å; T110-Q114 PolarHBondContact O-N 3.24Å; M111-Q114 PolarHBondContact O-N 3.35Å; Q114-W116 PolarHBondContact O-N 3.11Å; Q114-S117 PolarHBondContact O-N 3.5Å; Q114-A118 VanDerWaalsContact O-CB 3.29Å; Q114-A118 WeakPolarHBondContact O-CB 3.16Å; Q114-A118 PolarHBondContact O-N 2.83Å; Q114-L186 HydrophobicContact CB-CD1 4.32Å; Q114-Y190 HydrophobicContact CB-CD1 4.29Å; Q114-Y190 HydrophobicContact CB-CD2 3.97Å; Q114-Y190 HydrophobicContact CB-CE1 4.36Å; Q114-Y190 HydrophobicContact CB-CE2 4.03Å; Q114-Y190 HydrophobicContact CB-CG 4.09Å; Q114-Y190 HydrophobicContact CG-CD1 4.1Å; Q114-Y190 HydrophobicContact CG-CD2 4.28Å; Q114-Y190 HydrophobicContact CG-CE1 3.74Å; Q114-Y190 HydrophobicContact CG-CE2 3.91Å; Q114-Y190 HydrophobicContact CG-CG 4.36Å
115F91Very high85.5Confident0 Ų043.3 Ų43.30%020%0.204CC..Hα-helixtrans-54.5-52.4174.3-177.4-79.1000111.1W87 A90 Y91 F94 M111 W112 A118 H119 L186W87-F115 AromaticContact CE3-CE1 3.94Å; W87-F115 HydrophobicContact CE3-CE1 3.94Å; W87-F115 HydrophobicContact CE3-CE2 4.23Å; W87-F115 AromaticContact CE3-CZ 3.71Å; W87-F115 HydrophobicContact CE3-CZ 3.71Å; W87-F115 HydrophobicContact CZ3-CD1 4.26Å; W87-F115 HydrophobicContact CZ3-CD2 4.33Å; W87-F115 HydrophobicContact CZ3-CE1 4.01Å; W87-F115 HydrophobicContact CZ3-CE2 4.09Å; W87-F115 HydrophobicContact CZ3-CG 4.4Å; W87-F115 AromaticContact CZ3-CZ 3.92Å; W87-F115 HydrophobicContact CZ3-CZ 3.92Å; A90-F115 HydrophobicContact CB-CE2 3.9Å; A90-F115 HydrophobicContact CB-CZ 4.24Å; Y91-F115 HydrophobicContact CD2-CE1 4.28Å; Y91-F115 HydrophobicContact CD2-CZ 4.33Å; F94-F115 HydrophobicContact CB-CD2 4.42Å; F94-F115 HydrophobicContact CB-CE2 4.38Å; F94-F115 HydrophobicContact CD1-CD2 4.09Å; F94-F115 AromaticContact CD2-CD2 3.76Å; F94-F115 HydrophobicContact CD2-CD2 3.76Å; F94-F115 AromaticContact CD2-CE2 3.7Å; F94-F115 HydrophobicContact CD2-CE2 3.7Å; F94-F115 HydrophobicContact CE1-CD2 4.27Å; F94-F115 AromaticContact CE2-CD2 3.93Å; F94-F115 HydrophobicContact CE2-CD2 3.93Å; F94-F115 HydrophobicContact CE2-CE2 4.1Å; F94-F115 AromaticContact CG-CD2 3.84Å; F94-F115 HydrophobicContact CG-CD2 3.84Å; F94-F115 HydrophobicContact CG-CE2 4.04Å; F94-F115 HydrophobicContact CZ-CD2 4.2Å; M111-F115 WeakPolarHBondContact O-CB 3.39Å; M111-F115 PolarHBondContact O-N 3.39Å; W112-F115 HydrophobicContact CE3-CB 3.97Å; W112-F115 AromaticContact CE3-CD1 3.92Å; W112-F115 HydrophobicContact CE3-CD1 3.92Å; W112-F115 HydrophobicContact CE3-CD2 4.43Å; W112-F115 AromaticContact CE3-CG 3.86Å; W112-F115 HydrophobicContact CE3-CG 3.86Å; W112-F115 HydrophobicContact CZ3-CB 4.34Å; W112-F115 AromaticContact CZ3-CD1 3.73Å; W112-F115 HydrophobicContact CZ3-CD1 3.73Å; W112-F115 AromaticContact CZ3-CD2 3.96Å; W112-F115 HydrophobicContact CZ3-CD2 3.96Å; W112-F115 AromaticContact CZ3-CE1 3.96Å; W112-F115 HydrophobicContact CZ3-CE1 3.96Å; W112-F115 HydrophobicContact CZ3-CE2 4.17Å; W112-F115 AromaticContact CZ3-CG 3.75Å; W112-F115 HydrophobicContact CZ3-CG 3.75Å; W112-F115 HydrophobicContact CZ3-CZ 4.18Å; W112-F115 PolarHBondContact O-N 3.09Å; F115-A118 PolarHBondContact O-N 3.14Å; F115-H119 WeakPolarHBondContact O-CB 3.47Å; F115-H119 PolarHBondContact O-N 3.19Å; F115-L186 HydrophobicContact CB-CD1 4.32Å; F115-L186 HydrophobicContact CB-CD2 4.39Å; F115-L186 HydrophobicContact CD2-CD2 3.86Å; F115-L186 HydrophobicContact CE2-CD2 4.48Å; F115-L186 HydrophobicContact CG-CD2 4.27Å
116W88.1Confident86.1Confident38 Ų3839.5 Ų39.514%0.14418%0.184CC..Hα-helixtrans-73.8-31.3-177.5-65.9120.4000113.2Y91 W112 G113 Q114 A118 H119 Q120 V697 R718Y91-W116 HydrophobicContact CD2-CH2 4.02Å; Y91-W116 AromaticContact CD2-CZ2 3.72Å; Y91-W116 HydrophobicContact CD2-CZ2 3.72Å; Y91-W116 HydrophobicContact CE2-CH2 4.35Å; Y91-W116 AromaticContact CE2-CZ2 3.71Å; Y91-W116 HydrophobicContact CE2-CZ2 3.71Å; W112-W116 AromaticContact CE3-NE1 3.58Å; W112-W116 HydrophobicContact CZ3-CZ2 4.47Å; W112-W116 PolarHBondContact O-N 3.16Å; G113-W116 PolarHBondContact O-N 2.9Å; Q114-W116 PolarHBondContact O-N 3.11Å; W116-A118 VanDerWaalsContact C-N 3.35Å; W116-H119 HydrophobicContact CE3-CB 4.03Å; W116-H119 AromaticContact CE3-CD2 3.99Å; W116-H119 AromaticContact CE3-CG 3.9Å; W116-H119 AromaticContact CZ3-CD2 3.66Å; W116-H119 AromaticContact CZ3-NE2 3.88Å; W116-Q120 WeakPolarHBondContact O-CB 3.41Å; W116-Q120 PolarHBondContact O-N 2.93Å; W116-V697 WeakPolarHBondContact CH2-O 3.18Å; W116-R718 VanDerWaalsContact CE2-NH2 3.27Å
117S83.1Confident86.6Confident46 Ų4633.7 Ų33.732%0.32216%0.163SC..Hα-helixtrans-69.5-28.3170.3-62.80000113.3G113 Q114 R121G113-S117 WeakPolarHBondContact O-CB 3.38Å; G113-S117 PolarHBondContact O-N 3.05Å; G113-S117 PolarHBondContact O-OG 3.39Å; Q114-S117 PolarHBondContact O-N 3.5Å; S117-R121 WeakPolarHBondContact O-CG 3.37Å; S117-R121 PolarHBondContact O-N 3.46Å; S117-R121 PolarHBondContact O-NE 3.14Å
118A89.9Confident86.8Confident1 Ų133.8 Ų33.81%0.00816%0.164CC..Hα-helixtrans-75.5-46.3171.300000111.2W87 Q114 F115 W116 Q120 R121 F122 V182 L186W87-A118 HydrophobicContact CH2-CB 3.87Å; Q114-A118 VanDerWaalsContact O-CB 3.29Å; Q114-A118 WeakPolarHBondContact O-CB 3.16Å; Q114-A118 PolarHBondContact O-N 2.83Å; F115-A118 PolarHBondContact O-N 3.14Å; W116-A118 VanDerWaalsContact C-N 3.35Å; A118-Q120 PolarHBondContact O-N 2.99Å; A118-R121 PolarHBondContact O-N 2.92Å; A118-R121 VanDerWaalsContact O-N 3.11Å; A118-F122 WeakPolarHBondContact O-CB 3.39Å; A118-F122 PolarHBondContact O-N 2.81Å; A118-V182 HydrophobicContact CB-CG1 3.91Å; A118-V182 WeakPolarHBondContact O-CG1 3.49Å; A118-L186 HydrophobicContact CB-CB 4.15Å; A118-L186 HydrophobicContact CB-CD1 4.29Å; A118-L186 HydrophobicContact CB-CD2 3.97Å; A118-L186 HydrophobicContact CB-CG 4.35Å
119H89.9Confident87.2Confident3 Ų331.9 Ų31.91%0.01416%0.158CC..Hα-helixtrans-52.2-51.6174.3177-73.3000112.1W87 F115 W116 R121 F122 F123 G721W87-H119 HydrophobicContact CD2-CB 4.28Å; W87-H119 AromaticContact CD2-CD2 3.81Å; W87-H119 HydrophobicContact CE3-CB 3.92Å; W87-H119 AromaticContact CE3-CD2 3.79Å; W87-H119 VanDerWaalsContact CH2-CA 3.49Å; W87-H119 HydrophobicContact CH2-CB 3.92Å; W87-H119 HydrophobicContact CZ2-CB 4.26Å; W87-H119 HydrophobicContact CZ3-CB 3.73Å; F115-H119 WeakPolarHBondContact O-CB 3.47Å; F115-H119 PolarHBondContact O-N 3.19Å; W116-H119 HydrophobicContact CE3-CB 4.03Å; W116-H119 AromaticContact CE3-CD2 3.99Å; W116-H119 AromaticContact CE3-CG 3.9Å; W116-H119 AromaticContact CZ3-CD2 3.66Å; W116-H119 AromaticContact CZ3-NE2 3.88Å; H119-R121 VanDerWaalsContact C-N 3.3Å; H119-R121 PolarHBondContact O-N 2.97Å; H119-F122 PolarHBondContact O-N 3.08Å; H119-F123 AromaticContact CD2-CE2 3.81Å; H119-F123 AromaticContact CE1-CD2 3.75Å; H119-F123 AromaticContact CE1-CE2 3.83Å; H119-F123 AromaticContact ND1-CD2 3.89Å; H119-F123 AromaticContact NE2-CD2 3.99Å; H119-F123 AromaticContact NE2-CE2 3.58Å; H119-F123 WeakPolarHBondContact O-CD2 3.01Å; H119-F123 PolarHBondContact O-N 3.37Å; H119-G721 WeakPolarHBondContact NE2-CA 3.37Å
120Q84.4Confident87.8Confident53 Ų5325.3 Ų25.325%0.24813%0.13CC..Hα-helixtrans-61.3-35.9179-173.8-177.5-4.300112.5W116 A118 K124 W568W116-Q120 WeakPolarHBondContact O-CB 3.41Å; W116-Q120 PolarHBondContact O-N 2.93Å; A118-Q120 PolarHBondContact O-N 2.99Å; Q120-K124 WeakPolarHBondContact O-CB 3.3Å; Q120-K124 PolarHBondContact O-N 3.45Å; Q120-W568 HydrophobicContact CG-CH2 4.23Å; Q120-W568 HydrophobicContact CG-CZ2 4.27Å
121R86.4Confident88.3Confident97 Ų9722.9 Ų22.937%0.36612%0.115SC..Hα-helixtrans-72.3-42.6174.8-75.7178.8-67.1159.1-0.1112.1S117 A118 H119 K124 Y125 V182S117-R121 WeakPolarHBondContact O-CG 3.37Å; S117-R121 PolarHBondContact O-N 3.46Å; S117-R121 PolarHBondContact O-NE 3.14Å; A118-R121 PolarHBondContact O-N 2.92Å; A118-R121 VanDerWaalsContact O-N 3.11Å; H119-R121 VanDerWaalsContact C-N 3.3Å; H119-R121 PolarHBondContact O-N 2.97Å; R121-K124 WeakPolarHBondContact O-CB 3.47Å; R121-K124 PolarHBondContact O-N 2.91Å; R121-Y125 HydrophobicContact CB-CE2 4.21Å; R121-Y125 WeakPolarHBondContact O-CD2 3.12Å; R121-Y125 PolarHBondContact O-N 3.19Å; R121-V182 HydrophobicContact CB-CG1 4.29Å
122F91.8Very high88.6Confident0 Ų022.8 Ų22.80%012%0.115CC..Hα-helixtrans-57.4-60-178-174.7-77.2000111.4W87 A118 H119 K124 Y125 L126 A179 V182 F183 I461 L468W87-F122 AromaticContact CE2-CG 3.95Å; W87-F122 HydrophobicContact CZ2-CB 3.71Å; W87-F122 HydrophobicContact CZ2-CD2 4.13Å; W87-F122 AromaticContact CZ2-CG 3.95Å; W87-F122 HydrophobicContact CZ2-CG 3.95Å; W87-F122 AromaticContact NE1-CD1 3.3Å; W87-F122 VanDerWaalsContact NE1-CD1 3.3Å; W87-F122 AromaticContact NE1-CD2 3.81Å; W87-F122 AromaticContact NE1-CE1 3.78Å; W87-F122 AromaticContact NE1-CG 3.35Å; W87-F122 VanDerWaalsContact NE1-CG 3.35Å; A118-F122 WeakPolarHBondContact O-CB 3.39Å; A118-F122 PolarHBondContact O-N 2.81Å; H119-F122 PolarHBondContact O-N 3.08Å; F122-K124 PolarHBondContact O-N 3.34Å; F122-Y125 PolarHBondContact O-N 2.87Å; F122-Y125 VanDerWaalsContact O-N 3.08Å; F122-L126 HydrophobicContact CD1-CD1 3.81Å; F122-L126 HydrophobicContact CE1-CD1 3.49Å; F122-L126 VanDerWaalsContact CE1-CD1 3.49Å; F122-L126 HydrophobicContact CE1-CD2 4.24Å; F122-L126 HydrophobicContact CZ-CD1 4.13Å; F122-L126 VanDerWaalsContact O-CD1 3.3Å; F122-L126 WeakPolarHBondContact O-CD1 3.37Å; F122-L126 PolarHBondContact O-N 2.79Å; F122-A179 HydrophobicContact CD2-CB 4.12Å; F122-A179 VanDerWaalsContact CD2-O 3.31Å; F122-A179 WeakPolarHBondContact CD2-O 3.37Å; F122-A179 HydrophobicContact CE2-CB 3.97Å; F122-A179 WeakPolarHBondContact CE2-O 3.22Å; F122-A179 HydrophobicContact CZ-CB 4.32Å; F122-V182 HydrophobicContact CB-CG1 4.41Å; F122-F183 HydrophobicContact CD2-CB 4.04Å; F122-F183 HydrophobicContact CE2-CB 4.05Å; F122-I461 HydrophobicContact CE2-CD1 4.29Å; F122-L468 HydrophobicContact CE1-CD2 4.48Å; F122-L468 HydrophobicContact CE2-CD1 4.06Å; F122-L468 HydrophobicContact CZ-CD1 3.98Å; F122-L468 HydrophobicContact CZ-CD2 3.8Å
123F90.4Very high88.8Confident0 Ų025 Ų250%013%0.127CC..Hα-helixtrans-64.8-30.1-178.8-73-73.5000112.8Y80 W87 H119 L126 C127 L720Y80-F123 HydrophobicContact CD1-CE1 4.43Å; Y80-F123 HydrophobicContact CD2-CD1 4.38Å; Y80-F123 HydrophobicContact CE1-CD1 4.06Å; Y80-F123 HydrophobicContact CE1-CE1 4.03Å; Y80-F123 AromaticContact CE2-CD1 3.74Å; Y80-F123 HydrophobicContact CE2-CD1 3.74Å; Y80-F123 HydrophobicContact CE2-CE1 4.38Å; Y80-F123 AromaticContact CZ-CD1 3.55Å; W87-F123 HydrophobicContact CB-CE2 4.34Å; W87-F123 HydrophobicContact CB-CZ 4.43Å; W87-F123 AromaticContact CD1-CE2 3.34Å; W87-F123 AromaticContact CD1-CZ 3.44Å; W87-F123 VanDerWaalsContact CD1-CZ 3.44Å; W87-F123 HydrophobicContact CD2-CE2 4.45Å; W87-F123 AromaticContact CG-CE2 3.8Å; W87-F123 HydrophobicContact CG-CE2 3.8Å; W87-F123 HydrophobicContact CG-CZ 4.11Å; W87-F123 AromaticContact NE1-CE2 3.78Å; H119-F123 AromaticContact CD2-CE2 3.81Å; H119-F123 AromaticContact CE1-CD2 3.75Å; H119-F123 AromaticContact CE1-CE2 3.83Å; H119-F123 AromaticContact ND1-CD2 3.89Å; H119-F123 AromaticContact NE2-CD2 3.99Å; H119-F123 AromaticContact NE2-CE2 3.58Å; H119-F123 WeakPolarHBondContact O-CD2 3.01Å; H119-F123 PolarHBondContact O-N 3.37Å; F123-L126 PolarHBondContact O-N 3.43Å; F123-C127 PolarHBondContact O-N 3.19Å; F123-C127 PolarHBondContact O-SG 3.37Å; F123-L720 HydrophobicContact CB-CB 4.05Å; F123-L720 WeakPolarHBondContact CD1-O 3.22Å; F123-L720 HydrophobicContact CD2-CB 4.38Å; F123-L720 WeakPolarHBondContact CE1-O 3.34Å; F123-L720 HydrophobicContact CG-CB 4.26Å
124K85.8Confident89.5Confident44 Ų4425.1 Ų25.119%0.19112%0.12CC..Hα-helixtrans-63.3-39.8173.4-177.3-169.4-175.9-1530112.2Q120 R121 F122 C127 I128 S155 E565Q120-K124 WeakPolarHBondContact O-CB 3.3Å; Q120-K124 PolarHBondContact O-N 3.45Å; R121-K124 WeakPolarHBondContact O-CB 3.47Å; R121-K124 PolarHBondContact O-N 2.91Å; F122-K124 PolarHBondContact O-N 3.34Å; K124-C127 PolarHBondContact O-N 3.19Å; K124-I128 HydrophobicContact CG-CD1 4.21Å; K124-I128 VanDerWaalsContact O-CG1 3.31Å; K124-I128 WeakPolarHBondContact O-CG1 3.07Å; K124-I128 PolarHBondContact O-N 2.69Å; K124-S155 PolarHBondContact NZ-OG 2.6Å; K124-E565 WeakPolarHBondContact CE-OE1 3.35Å; K124-E565 IonicContact NZ-OE1 2.71Å; K124-E565 PolarHBondContact NZ-OE1 2.93Å
125Y89.2Confident89.9Confident30 Ų3022.8 Ų22.812%0.11811%0.11CC..Hα-helixtrans-64.8-40.3173.4-70.3-57.6000112R121 F122 C127 I128 A129 V182R121-Y125 HydrophobicContact CB-CE2 4.21Å; R121-Y125 WeakPolarHBondContact O-CD2 3.12Å; R121-Y125 PolarHBondContact O-N 3.19Å; F122-Y125 PolarHBondContact O-N 2.87Å; F122-Y125 VanDerWaalsContact O-N 3.08Å; Y125-C127 PolarHBondContact O-N 3Å; Y125-I128 PolarHBondContact O-N 3.45Å; Y125-A129 WeakPolarHBondContact O-CB 3.36Å; Y125-A129 PolarHBondContact O-N 3.41Å; Y125-V182 HydrophobicContact CE2-CG2 4.03Å
126L90.5Very high90.2Very high0 Ų023.1 Ų23.10%011%0.112CC..Hα-helixtrans-60.2-44.7172.7-8372.6000111.7F76 Y80 F122 F123 I128 A129 A130 A179 L468 P469F76-L126 HydrophobicContact CE2-CB 4.22Å; F76-L126 WeakPolarHBondContact CE2-O 3.44Å; F76-L126 HydrophobicContact CZ-CB 4.38Å; Y80-L126 HydrophobicContact CD2-CB 4.43Å; Y80-L126 HydrophobicContact CD2-CD2 3.99Å; F122-L126 HydrophobicContact CD1-CD1 3.81Å; F122-L126 HydrophobicContact CE1-CD1 3.49Å; F122-L126 VanDerWaalsContact CE1-CD1 3.49Å; F122-L126 HydrophobicContact CE1-CD2 4.24Å; F122-L126 HydrophobicContact CZ-CD1 4.13Å; F122-L126 VanDerWaalsContact O-CD1 3.3Å; F122-L126 WeakPolarHBondContact O-CD1 3.37Å; F122-L126 PolarHBondContact O-N 2.79Å; F123-L126 PolarHBondContact O-N 3.43Å; L126-I128 VanDerWaalsContact C-N 3.32Å; L126-I128 PolarHBondContact O-N 2.97Å; L126-A129 PolarHBondContact O-N 2.8Å; L126-A130 WeakPolarHBondContact O-CB 3.31Å; L126-A130 PolarHBondContact O-N 2.86Å; L126-A179 HydrophobicContact CD1-CB 4.01Å; L126-L468 HydrophobicContact CD1-CD2 4.49Å; L126-P469 HydrophobicContact CG-CG 4.44Å
127C89Confident90.5Very high9 Ų926.8 Ų26.86%0.06113%0.131CC..Hα-helixtrans-64.6-33.1178.2-610000112.9F123 K124 Y125 K131 E601F123-C127 PolarHBondContact O-N 3.19Å; F123-C127 PolarHBondContact O-SG 3.37Å; K124-C127 PolarHBondContact O-N 3.19Å; Y125-C127 PolarHBondContact O-N 3Å; C127-K131 WeakPolarHBondContact O-CE 3.48Å; C127-E601 HydrophobicContact CB-CG 4.5Å
128I89.4Confident91.1Very high9 Ų926 Ų265%0.04612%0.122CC..Hα-helixtrans-70.6-49.2174.5-66.7163.2000110K124 Y125 L126 A130 K131 L153 L564 E565K124-I128 HydrophobicContact CG-CD1 4.21Å; K124-I128 VanDerWaalsContact O-CG1 3.31Å; K124-I128 WeakPolarHBondContact O-CG1 3.07Å; K124-I128 PolarHBondContact O-N 2.69Å; Y125-I128 PolarHBondContact O-N 3.45Å; L126-I128 VanDerWaalsContact C-N 3.32Å; L126-I128 PolarHBondContact O-N 2.97Å; I128-A130 VanDerWaalsContact C-N 3.3Å; I128-A130 PolarHBondContact O-N 3.33Å; I128-K131 PolarHBondContact O-N 2.83Å; I128-K131 VanDerWaalsContact O-N 3.11Å; I128-L153 HydrophobicContact CG2-CD2 4.19Å; I128-L564 HydrophobicContact CG2-CG 4.4Å; I128-E565 HydrophobicContact CD1-CB 4.31Å; I128-E565 HydrophobicContact CD1-CG 3.86Å; I128-E565 HydrophobicContact CG1-CB 4.41Å; I128-E565 HydrophobicContact CG1-CG 4.26Å
129A90.6Very high91.4Very high6 Ų625.9 Ų25.95%0.0512%0.122CC..Hα-helixtrans-56.9-41.4179.900000112.7L71 Y125 L126 K131 V132 P469L71-A129 HydrophobicContact CD2-CB 4.43Å; Y125-A129 WeakPolarHBondContact O-CB 3.36Å; Y125-A129 PolarHBondContact O-N 3.41Å; L126-A129 PolarHBondContact O-N 2.8Å; A129-K131 PolarHBondContact O-N 2.79Å; A129-V132 PolarHBondContact O-N 2.62Å; A129-V132 VanDerWaalsContact O-N 3.09Å; A129-P469 HydrophobicContact CB-CB 3.32Å; A129-P469 HydrophobicContact CB-CG 3.62Å
130A91.2Very high91.7Very high4 Ų430.4 Ų30.43%0.03314%0.141CC..THydrogen-bonded Turntrans-54-17.5177.600000115V69 F76 L126 I128V69-A130 HydrophobicContact CG1-CB 4.23Å; F76-A130 HydrophobicContact CD2-CB 3.92Å; F76-A130 HydrophobicContact CE1-CB 4.47Å; F76-A130 HydrophobicContact CE2-CB 3.55Å; F76-A130 HydrophobicContact CZ-CB 3.84Å; L126-A130 WeakPolarHBondContact O-CB 3.31Å; L126-A130 PolarHBondContact O-N 2.86Å; I128-A130 VanDerWaalsContact C-N 3.3Å; I128-A130 PolarHBondContact O-N 3.33Å
131K92.2Very high92.3Very high2 Ų231.5 Ų31.51%0.00915%0.152CC..THydrogen-bonded Turntrans-117.50.1-173.1-55.9-178.1-60.51720113.1V64 C127 I128 A129 C135 L564 L594 E601V64-K131 HydrophobicContact CB-CG 4.36Å; V64-K131 HydrophobicContact CG2-CB 4.48Å; V64-K131 HydrophobicContact CG2-CG 4.09Å; C127-K131 WeakPolarHBondContact O-CE 3.48Å; I128-K131 PolarHBondContact O-N 2.83Å; I128-K131 VanDerWaalsContact O-N 3.11Å; A129-K131 PolarHBondContact O-N 2.79Å; K131-C135 VanDerWaalsContact O-CB 3.27Å; K131-C135 WeakPolarHBondContact O-CB 3.35Å; K131-C135 PolarHBondContact O-N 3.1Å; K131-L564 HydrophobicContact CB-CD1 3.66Å; K131-L564 WeakPolarHBondContact CE-O 3.47Å; K131-L564 PolarHBondContact NZ-O 3.01Å; K131-L594 HydrophobicContact CB-CD2 3.96Å; K131-L594 HydrophobicContact CB-CG 4.21Å; K131-L594 HydrophobicContact CD-CG 4.41Å; K131-L594 WeakPolarHBondContact CD-O 3.37Å; K131-L594 PolarHBondContact NZ-O 2.98Å; K131-L594 WeakPolarHBondContact O-CD2 3.44Å; K131-E601 IonicContact NZ-OE1 3.12Å; K131-E601 PolarHBondContact NZ-OE1 2.74Å; K131-E601 IonicContact NZ-OE2 2.75Å
132V93.2Very high92.8Very high0 Ų027 Ų270%014%0.135CC..Hα-helixtrans-60.9-49.1-178.4171.40000110.6A129 T134 C135 V136 E475 L476 K479A129-V132 PolarHBondContact O-N 2.62Å; A129-V132 VanDerWaalsContact O-N 3.09Å; V132-T134 PolarHBondContact O-N 2.8Å; V132-C135 WeakPolarHBondContact O-CA 3.31Å; V132-C135 WeakPolarHBondContact O-CB 3.42Å; V132-C135 PolarHBondContact O-N 3.2Å; V132-C135 VanDerWaalsContact O-N 3.12Å; V132-V136 HydrophobicContact CG1-CG2 4.37Å; V132-V136 WeakPolarHBondContact O-CG2 3.27Å; V132-V136 PolarHBondContact O-N 3.3Å; V132-E475 HydrophobicContact CG1-CG 4.28Å; V132-L476 HydrophobicContact CG1-CB 4.32Å; V132-L476 HydrophobicContact CG1-CD1 4.37Å; V132-K479 HydrophobicContact CG1-CD 4.42Å
133E92.7Very high93Very high97 Ų9728.7 Ų28.745%0.45315%0.145SC..Hα-helixtrans-59.1-52.5-179-56.6-66.4-148.800112.1C135 V136 E137 K479E133-C135 PolarHBondContact O-N 3.1Å; E133-V136 CarbonylContact O-C 3.46Å; E133-V136 WeakPolarHBondContact O-CA 3.24Å; E133-V136 WeakPolarHBondContact O-CB 3.24Å; E133-V136 PolarHBondContact O-N 2.92Å; E133-E137 WeakPolarHBondContact O-CG 3.48Å; E133-E137 PolarHBondContact O-N 2.77Å; E133-K479 IonicContact OE1-NZ 3.57Å; E133-K479 PolarHBondContact OE1-NZ 2.87Å; E133-K479 VanDerWaalsContact OE2-CD 3.31Å; E133-K479 WeakPolarHBondContact OE2-CD 3.44Å; E133-K479 IonicContact OE2-NZ 3.26Å; E133-K479 PolarHBondContact OE2-NZ 3.36Å
134T93.8Very high93.2Very high39 Ų3935.1 Ų35.124%0.23918%0.18CC..Hα-helixtrans-64.4-28.2178.5-46.10000112.2V64 V132 E137 I138 L594V64-T134 HydrophobicContact CG2-CG2 4.29Å; V132-T134 PolarHBondContact O-N 2.8Å; T134-E137 WeakPolarHBondContact CA-OE2 3.47Å; T134-I138 HydrophobicContact CG2-CD1 3.99Å; T134-I138 HydrophobicContact CG2-CG1 4.48Å; T134-I138 WeakPolarHBondContact O-CB 3.34Å; T134-I138 WeakPolarHBondContact O-CD1 3.44Å; T134-I138 WeakPolarHBondContact O-CG1 3.38Å; T134-I138 PolarHBondContact O-N 3Å; T134-L594 HydrophobicContact CG2-CD1 3.92Å
135C95.6Very high93.7Very high0 Ų038.5 Ų38.50%020%0.196CC..Hα-helixtrans-68-40.1171-166.90000111.9K131 V132 E133 A139 L564 L594K131-C135 VanDerWaalsContact O-CB 3.27Å; K131-C135 WeakPolarHBondContact O-CB 3.35Å; K131-C135 PolarHBondContact O-N 3.1Å; V132-C135 WeakPolarHBondContact O-CA 3.31Å; V132-C135 WeakPolarHBondContact O-CB 3.42Å; V132-C135 PolarHBondContact O-N 3.2Å; V132-C135 VanDerWaalsContact O-N 3.12Å; E133-C135 PolarHBondContact O-N 3.1Å; C135-A139 WeakPolarHBondContact O-CB 3.44Å; C135-A139 PolarHBondContact O-N 3.34Å; C135-L564 HydrophobicContact CB-CD1 4.14Å; C135-L564 HydrophobicContact CB-CD2 4.34Å; C135-L594 HydrophobicContact CB-CD2 3.65Å
136V96Very high93.9Very high7 Ų739 Ų394%0.04221%0.211CC..Hα-helixtrans-66.2-44.2175.8170.10000111.1V132 E133 A139 K140 L476 K479 L480V132-V136 HydrophobicContact CG1-CG2 4.37Å; V132-V136 WeakPolarHBondContact O-CG2 3.27Å; V132-V136 PolarHBondContact O-N 3.3Å; E133-V136 CarbonylContact O-C 3.46Å; E133-V136 WeakPolarHBondContact O-CA 3.24Å; E133-V136 WeakPolarHBondContact O-CB 3.24Å; E133-V136 PolarHBondContact O-N 2.92Å; V136-A139 PolarHBondContact O-N 2.93Å; V136-K140 HydrophobicContact CG1-CD 3.81Å; V136-K140 VanDerWaalsContact CG1-CE 3.47Å; V136-K140 HydrophobicContact CG1-CG 4.45Å; V136-K140 VanDerWaalsContact CG1-NZ 3.29Å; V136-K140 WeakPolarHBondContact O-CB 3.49Å; V136-K140 WeakPolarHBondContact O-CG 3.26Å; V136-K140 PolarHBondContact O-N 2.81Å; V136-L476 HydrophobicContact CG2-CD1 3.75Å; V136-K479 HydrophobicContact CG1-CB 4.22Å; V136-K479 HydrophobicContact CG2-CB 3.79Å; V136-L480 HydrophobicContact CB-CD2 4.4Å; V136-L480 HydrophobicContact CG1-CD2 4.3Å; V136-L480 HydrophobicContact CG2-CD2 4.14Å; V136-L480 HydrophobicContact CG2-CG 4.28Å
137E95.2Very high94.2Very high116 Ų11641.4 Ų41.454%0.54222%0.221SC..Hα-helixtrans-58.3-51.4174.9-69.4173157.600111.6E133 T134 A139 K140 T141E133-E137 WeakPolarHBondContact O-CG 3.48Å; E133-E137 PolarHBondContact O-N 2.77Å; T134-E137 WeakPolarHBondContact CA-OE2 3.47Å; E137-A139 VanDerWaalsContact C-N 3.31Å; E137-A139 PolarHBondContact O-N 2.82Å; E137-K140 PolarHBondContact O-N 3.23Å; E137-T141 VanDerWaalsContact O-CB 3.31Å; E137-T141 WeakPolarHBondContact O-CB 3.43Å; E137-T141 PolarHBondContact O-N 3.02Å; E137-T141 PolarHBondContact O-OG1 3.02Å
138I95.9Very high94.5Very high28 Ų2841 Ų4114%0.14422%0.218CC..Hα-helixtrans-64.4-37.5179.1-67.3168.5000110.8T134 A142 I562 I592 L594T134-I138 HydrophobicContact CG2-CD1 3.99Å; T134-I138 HydrophobicContact CG2-CG1 4.48Å; T134-I138 WeakPolarHBondContact O-CB 3.34Å; T134-I138 WeakPolarHBondContact O-CD1 3.44Å; T134-I138 WeakPolarHBondContact O-CG1 3.38Å; T134-I138 PolarHBondContact O-N 3Å; I138-A142 VanDerWaalsContact O-CB 3.25Å; I138-A142 WeakPolarHBondContact O-CB 3.35Å; I138-A142 PolarHBondContact O-N 3.01Å; I138-I562 HydrophobicContact CB-CD1 4.18Å; I138-I562 HydrophobicContact CG2-CD1 3.67Å; I138-I562 HydrophobicContact CG2-CG1 4.23Å; I138-I592 HydrophobicContact CG2-CD1 3.59Å; I138-L594 HydrophobicContact CD1-CD1 3.96Å
139A96.9Very high94.9Very high0 Ų040.5 Ų40.50%022%0.216CC..Hα-helixtrans-67.9-48178.400000112.3C135 V136 E137 A142 V143 V149 L480 I562C135-A139 WeakPolarHBondContact O-CB 3.44Å; C135-A139 PolarHBondContact O-N 3.34Å; V136-A139 PolarHBondContact O-N 2.93Å; E137-A139 VanDerWaalsContact C-N 3.31Å; E137-A139 PolarHBondContact O-N 2.82Å; A139-A142 PolarHBondContact O-N 3.34Å; A139-V143 WeakPolarHBondContact O-CG2 3.47Å; A139-V143 PolarHBondContact O-N 3.06Å; A139-V149 HydrophobicContact CB-CG1 4.03Å; A139-V149 HydrophobicContact CB-CG2 4.35Å; A139-L480 HydrophobicContact CB-CD2 3.71Å; A139-I562 HydrophobicContact CB-CD1 4.24Å
140K96.5Very high95.1Very high97 Ų9740.2 Ų40.242%0.42221%0.213SC..Hα-helixtrans-59.4-53.9176-73.4171.5179.5167.20110.6V136 E137 A142 V143 D144 K479V136-K140 HydrophobicContact CG1-CD 3.81Å; V136-K140 VanDerWaalsContact CG1-CE 3.47Å; V136-K140 HydrophobicContact CG1-CG 4.45Å; V136-K140 VanDerWaalsContact CG1-NZ 3.29Å; V136-K140 WeakPolarHBondContact O-CB 3.49Å; V136-K140 WeakPolarHBondContact O-CG 3.26Å; V136-K140 PolarHBondContact O-N 2.81Å; E137-K140 PolarHBondContact O-N 3.23Å; K140-A142 VanDerWaalsContact C-N 3.26Å; K140-A142 PolarHBondContact O-N 2.99Å; K140-A142 VanDerWaalsContact O-N 3.16Å; K140-V143 PolarHBondContact O-N 3.02Å; K140-D144 VanDerWaalsContact O-CG 3.28Å; K140-D144 PolarHBondContact O-N 3.35Å; K140-K479 WeakPolarHBondContact CE-O 3.42Å; K140-K479 PolarHBondContact NZ-O 2.88Å
141T96.7Very high95.3Very high76 Ų7640 Ų4047%0.46621%0.212SC..Hα-helixtrans-50-45.4175.1-53.40000112.2E137 D144 E145E137-T141 VanDerWaalsContact O-CB 3.31Å; E137-T141 WeakPolarHBondContact O-CB 3.43Å; E137-T141 PolarHBondContact O-N 3.02Å; E137-T141 PolarHBondContact O-OG1 3.02Å; T141-D144 PolarHBondContact O-N 3.43Å; T141-E145 WeakPolarHBondContact O-CB 3.45Å; T141-E145 VanDerWaalsContact O-CG 3.29Å; T141-E145 WeakPolarHBondContact O-CG 3.5Å; T141-E145 PolarHBondContact O-N 3.24Å
142A95.7Very high95.2Very high3 Ų340 Ų403%0.02521%0.211CC..Hα-helixtrans-67.6-36.1179.800000113.3I138 A139 K140 K147 V149 V560I138-A142 VanDerWaalsContact O-CB 3.25Å; I138-A142 WeakPolarHBondContact O-CB 3.35Å; I138-A142 PolarHBondContact O-N 3.01Å; A139-A142 PolarHBondContact O-N 3.34Å; K140-A142 VanDerWaalsContact C-N 3.26Å; K140-A142 PolarHBondContact O-N 2.99Å; K140-A142 VanDerWaalsContact O-N 3.16Å; A142-K147 WeakPolarHBondContact O-CA 3.25Å; A142-K147 WeakPolarHBondContact O-CB 3.21Å; A142-K147 PolarHBondContact O-N 3.08Å; A142-V149 HydrophobicContact CB-CG2 3.72Å; A142-V560 HydrophobicContact CB-CB 4.32Å; A142-V560 HydrophobicContact CB-CG1 4.42Å; A142-V560 HydrophobicContact CB-CG2 4.1Å
143V95.6Very high95Very high35 Ų3540.1 Ų40.121%0.21221%0.212CC..Hα-helixtrans-67.5-41.6174.3171.50000110.8A139 K140 E145 G146 V149 L533 I534A139-V143 WeakPolarHBondContact O-CG2 3.47Å; A139-V143 PolarHBondContact O-N 3.06Å; K140-V143 PolarHBondContact O-N 3.02Å; V143-E145 VanDerWaalsContact C-N 3.33Å; V143-E145 PolarHBondContact O-N 3.35Å; V143-G146 WeakPolarHBondContact O-CA 3.38Å; V143-G146 PolarHBondContact O-N 2.96Å; V143-V149 HydrophobicContact CG2-CG2 4.01Å; V143-L533 HydrophobicContact CG1-CB 4.47Å; V143-L533 HydrophobicContact CG1-CD1 3.91Å; V143-L533 HydrophobicContact CG2-CB 4.34Å; V143-I534 HydrophobicContact CG2-CD1 4.2Å; V143-I534 HydrophobicContact CG2-CG1 3.8Å
144D95.4Very high94.5Very high136 Ų13636.8 Ų36.873%0.72720%0.197SC*.Hα-helixtrans-65.2-35.6177-59.3-34.3000111.8K140 T141 G146K140-D144 VanDerWaalsContact O-CG 3.28Å; K140-D144 PolarHBondContact O-N 3.35Å; T141-D144 PolarHBondContact O-N 3.43Å; D144-G146 PolarHBondContact O-N 3.42Å; D144-G146 VanDerWaalsContact O-N 3.09Å
145E95.5Very high93.8Very high115 Ų11536.2 Ų36.254%0.53719%0.194SC..THydrogen-bonded Turntrans-70.28.8167.9-68.3-177.897.400114T141 V143 K147T141-E145 WeakPolarHBondContact O-CB 3.45Å; T141-E145 VanDerWaalsContact O-CG 3.29Å; T141-E145 WeakPolarHBondContact O-CG 3.5Å; T141-E145 PolarHBondContact O-N 3.24Å; V143-E145 VanDerWaalsContact C-N 3.33Å; V143-E145 PolarHBondContact O-N 3.35Å; E145-K147 HydrophobicContact CB-CD 4.06Å; E145-K147 HydrophobicContact CB-CG 4.43Å; E145-K147 PolarHBondContact O-N 2.88Å; E145-K147 IonicContact OE1-NZ 2.74Å; E145-K147 PolarHBondContact OE1-NZ 2.71Å; E145-K147 IonicContact OE2-NZ 3.71Å; E145-K147 PolarHBondContact OE2-NZ 2.93Å
146G94.4Very high93Very high40 Ų4037.8 Ų37.841%0.41220%0.204SC..THydrogen-bonded Turntrans74.918.1176.300000115.3V143 D144 R557V143-G146 WeakPolarHBondContact O-CA 3.38Å; V143-G146 PolarHBondContact O-N 2.96Å; D144-G146 PolarHBondContact O-N 3.42Å; D144-G146 VanDerWaalsContact O-N 3.09Å; G146-R557 VanDerWaalsContact O-CD 3.25Å; G146-R557 WeakPolarHBondContact O-CD 3.17Å; G146-R557 VanDerWaalsContact O-CG 3.29Å; G146-R557 WeakPolarHBondContact O-CG 3.41Å
147K95.8Very high92Very high50 Ų5037.9 Ų37.922%0.21721%0.206CC..  trans-97.3176.1-178.8-54.9160.4-166.71680110.1A142 E145 R558 V560A142-K147 WeakPolarHBondContact O-CA 3.25Å; A142-K147 WeakPolarHBondContact O-CB 3.21Å; A142-K147 PolarHBondContact O-N 3.08Å; E145-K147 HydrophobicContact CB-CD 4.06Å; E145-K147 HydrophobicContact CB-CG 4.43Å; E145-K147 PolarHBondContact O-N 2.88Å; E145-K147 IonicContact OE1-NZ 2.74Å; E145-K147 PolarHBondContact OE1-NZ 2.71Å; E145-K147 IonicContact OE2-NZ 3.71Å; E145-K147 PolarHBondContact OE2-NZ 2.93Å; K147-R558 WeakPolarHBondContact CB-O 3.42Å; K147-V560 HydrophobicContact CB-CG2 4Å; K147-V560 HydrophobicContact CD-CG2 3.8Å; K147-V560 HydrophobicContact CG-CG2 4.41Å
148C96Very high91.2Very high0 Ų033.4 Ų33.40%019%0.185CC..EExtended strand (participates in β ladder)trans-120.8142.4170-81.50000110.9F527 L533 N555 R557 R558 R559 V560C148-F527 HydrophobicContact CB-CE2 4.13Å; C148-F527 HydrophobicContact CB-CZ 4.04Å; C148-L533 WeakPolarHBondContact CA-O 3.38Å; C148-L533 WeakPolarHBondContact CB-O 3.24Å; C148-N555 PolarHBondContact SG-ND2 2.87Å; C148-N555 PolarHBondContact SG-OD1 3.08Å; C148-R557 HydrophobicContact CB-CB 4.25Å; C148-R557 WeakPolarHBondContact SG-CD 3.3Å; C148-R558 PolarHBondContact N-O 2.96Å; C148-R559 CarbonylContact O-C 3.55Å; C148-R559 WeakPolarHBondContact O-CA 3.48Å; C148-V560 PolarHBondContact O-N 3.44Å
149V97.3Very high90Very high0 Ų034.2 Ų34.20%020%0.197CC..EExtended strand (participates in β ladder)trans-107139.5-169.8-176.20000110.5A139 A142 V143 I151 F527 L533 I534 A535 V560 I562A139-V149 HydrophobicContact CB-CG1 4.03Å; A139-V149 HydrophobicContact CB-CG2 4.35Å; A142-V149 HydrophobicContact CB-CG2 3.72Å; V143-V149 HydrophobicContact CG2-CG2 4.01Å; V149-I151 HydrophobicContact CG1-CD1 4.45Å; V149-I151 HydrophobicContact CG1-CG1 3.86Å; V149-F527 WeakPolarHBondContact O-CE2 3.41Å; V149-L533 PolarHBondContact N-O 3.17Å; V149-I534 HydrophobicContact CB-CB 4.49Å; V149-I534 HydrophobicContact CB-CG1 4.24Å; V149-I534 HydrophobicContact CB-CG2 4.15Å; V149-I534 HydrophobicContact CG1-CG2 4.35Å; V149-I534 CarbonylContact O-C 3.58Å; V149-I534 WeakPolarHBondContact O-CA 3.47Å; V149-A535 PolarHBondContact O-N 3.38Å; V149-V560 CarbonylContact C-O 3.49Å; V149-V560 WeakPolarHBondContact CA-O 3.25Å; V149-I562 HydrophobicContact CG1-CD1 3.77Å; V149-I562 HydrophobicContact CG1-CG1 4.2Å
150V95.6Very high89Confident0 Ų035.2 Ų35.20%020%0.201CC..EExtended strand (participates in β ladder)trans-126.5120.3169.9-179.40000107.4F527 A535 I537 L547 V560 H561 I562 T580V150-F527 HydrophobicContact CG2-CE1 4.14Å; V150-F527 HydrophobicContact CG2-CE2 4.41Å; V150-F527 HydrophobicContact CG2-CZ 3.64Å; V150-A535 CarbonylContact C-O 3.59Å; V150-A535 WeakPolarHBondContact CA-O 3.46Å; V150-A535 HydrophobicContact CG2-CB 4.42Å; V150-I537 HydrophobicContact CG1-CD1 3.61Å; V150-I537 HydrophobicContact CG1-CG1 3.87Å; V150-L547 HydrophobicContact CG1-CD1 4.15Å; V150-L547 HydrophobicContact CG2-CD1 4.48Å; V150-V560 PolarHBondContact N-O 2.86Å; V150-H561 CarbonylContact O-C 3.56Å; V150-H561 VanDerWaalsContact O-CA 3.24Å; V150-H561 WeakPolarHBondContact O-CA 3.31Å; V150-I562 PolarHBondContact O-N 3.23Å; V150-T580 HydrophobicContact CB-CG2 4.03Å; V150-T580 HydrophobicContact CG1-CG2 4.11Å; V150-T580 HydrophobicContact CG2-CG2 3.74Å
151I95.2Very high87.9Confident0 Ų030.8 Ų30.80%018%0.182CC..EExtended strand (participates in β ladder)trans-105.1120.2-179.6-49177000108.8V149 L476 L480 I534 A535 I536 I537 I562 L564V149-I151 HydrophobicContact CG1-CD1 4.45Å; V149-I151 HydrophobicContact CG1-CG1 3.86Å; I151-L476 HydrophobicContact CD1-CD1 4.19Å; I151-L476 HydrophobicContact CD1-CD2 4.15Å; I151-L476 HydrophobicContact CD1-CG 4.46Å; I151-L476 HydrophobicContact CG2-CD2 4.19Å; I151-L480 HydrophobicContact CD1-CD1 3.77Å; I151-I534 HydrophobicContact CD1-CG2 4.23Å; I151-A535 PolarHBondContact N-O 2.97Å; I151-I536 HydrophobicContact CB-CG1 4.29Å; I151-I536 HydrophobicContact CD1-CG1 4.44Å; I151-I536 WeakPolarHBondContact O-CA 3.45Å; I151-I537 PolarHBondContact O-N 3.41Å; I151-I562 CarbonylContact C-O 3.58Å; I151-I562 WeakPolarHBondContact CA-O 3.12Å; I151-L564 HydrophobicContact CG2-CB 3.82Å; I151-L564 HydrophobicContact CG2-CD2 4.19Å
152G91.1Very high87Confident0 Ų029.9 Ų29.90%017%0.174CC..EExtended strand (participates in β ladder)trans-89116.1176.200000111.7I562 L564 E565G152-I562 PolarHBondContact N-O 2.76Å; G152-L564 PolarHBondContact O-N 3.14Å; G152-E565 PolarHBondContact O-N 3.42Å
153L88.6Confident86Confident4 Ų432.7 Ų32.72%0.02119%0.186CC..  trans-116.4172.3165.3-74.5172.4000109.5I128 L473 L476 I536 I537 S538 L564 E565 Q576I128-L153 HydrophobicContact CG2-CD2 4.19Å; L153-L473 HydrophobicContact CD1-CD1 3.94Å; L153-L476 HydrophobicContact CD1-CD2 4.26Å; L153-I536 HydrophobicContact CD1-CG2 4.11Å; L153-I537 PolarHBondContact N-O 2.99Å; L153-I537 VanDerWaalsContact O-O 3.13Å; L153-S538 WeakPolarHBondContact O-CA 3.46Å; L153-L564 HydrophobicContact CD2-CB 3.98Å; L153-L564 HydrophobicContact CD2-CD2 3.81Å; L153-L564 HydrophobicContact CD2-CG 3.8Å; L153-L564 HydrophobicContact CG-CD2 4.4Å; L153-E565 HydrophobicContact CD2-CB 3.71Å; L153-Q576 PolarHBondContact O-NE2 3.16Å; L153-Q576 VanDerWaalsContact O-NE2 3.12Å
154Q81.8Confident84.8Confident26 Ų2632 Ų3212%0.12118%0.181CC..SBendtrans-124.2-38.9166.1-35.9-62.9-43.600111E565 P567Q154-E565 WeakPolarHBondContact CB-OE1 3.16Å; Q154-E565 HydrophobicContact CG-CB 4.45Å; Q154-E565 HydrophobicContact CG-CG 4.05Å; Q154-E565 PolarHBondContact N-OE2 2.97Å; Q154-E565 PolarHBondContact NE2-O 3.16Å; Q154-P567 HydrophobicContact CG-CB 3.95Å
155S78.4Confident83.9Confident27 Ų2726.3 Ų26.319%0.18915%0.151CC..  trans-91.7125.3-176.4-490000111K124 E565K124-S155 PolarHBondContact NZ-OG 2.6Å; S155-E565 WeakPolarHBondContact CB-OE2 3.49Å; S155-E565 PolarHBondContact N-OE1 3.16Å; S155-E565 PolarHBondContact N-OE2 2.7Å; S155-E565 PolarHBondContact OG-OE1 3.43Å; S155-E565 PolarHBondContact OG-OE2 3.46Å
156T79.4Confident83Confident33 Ų3327.7 Ų27.720%0.20216%0.158CC..  trans-96.6-11.1-179.853.30000114.8E158 L473 T490T156-E158 PolarHBondContact O-N 3.39Å; T156-L473 HydrophobicContact CG2-CD2 4.34Å; T156-T490 HydrophobicContact CG2-CG2 4.24Å
157G74.2Confident82Confident9 Ų931 Ų319%0.09316%0.162CC..  trans71.8-31.1-176.300000115.6A159 K160G157-A159 VanDerWaalsContact C-N 3.35Å; G157-A159 PolarHBondContact O-N 2.89Å; G157-K160 WeakPolarHBondContact O-CB 3.47Å; G157-K160 PolarHBondContact O-N 3.19Å
158E79.1Confident80.9Confident22 Ų2235 Ų3510%0.10318%0.177CC..Hα-helixtrans-34.5-52.7-167.1-177.9-167.6-153.500116T156 K160 T161 L162 R492 K493T156-E158 PolarHBondContact O-N 3.39Å; E158-K160 PolarHBondContact O-N 2.97Å; E158-T161 CarbonylContact O-C 3.59Å; E158-T161 WeakPolarHBondContact O-CA 3.31Å; E158-T161 WeakPolarHBondContact O-CB 3.45Å; E158-T161 PolarHBondContact O-N 3.05Å; E158-L162 PolarHBondContact O-N 2.93Å; E158-R492 HydrophobicContact CB-CB 3.9Å; E158-R492 HydrophobicContact CG-CB 3.92Å; E158-R492 VanDerWaalsContact OE2-CA 3.29Å; E158-R492 WeakPolarHBondContact OE2-CA 3.49Å; E158-R492 WeakPolarHBondContact OE2-CB 3.27Å; E158-K493 WeakPolarHBondContact OE1-CB 3.2Å; E158-K493 PolarHBondContact OE1-N 3.45Å
159A71.6Confident80Confident46 Ų4636.4 Ų36.438%0.3819%0.191SC..Hα-helixtrans-57.5-24.4-174.300000113.3G157 E163G157-A159 VanDerWaalsContact C-N 3.35Å; G157-A159 PolarHBondContact O-N 2.89Å; A159-E163 WeakPolarHBondContact O-CG 3.49Å; A159-E163 PolarHBondContact O-N 3.02Å
160K75.3Confident79Confident20 Ų2041.7 Ų41.79%0.08722%0.219CC..Hα-helixtrans-87.2-32.7175.4-71.9-77.1151-163.20113.1G157 E158 E163 Q164 G181 V182 C185G157-K160 WeakPolarHBondContact O-CB 3.47Å; G157-K160 PolarHBondContact O-N 3.19Å; E158-K160 PolarHBondContact O-N 2.97Å; K160-E163 WeakPolarHBondContact CE-OE2 3.35Å; K160-E163 IonicContact NZ-OE1 3.32Å; K160-E163 IonicContact NZ-OE2 3.62Å; K160-E163 PolarHBondContact NZ-OE2 3.31Å; K160-Q164 PolarHBondContact O-N 3.09Å; K160-G181 VanDerWaalsContact CD-O 3.31Å; K160-G181 WeakPolarHBondContact CD-O 3.31Å; K160-G181 WeakPolarHBondContact CE-O 3.29Å; K160-G181 PolarHBondContact NZ-O 3.43Å; K160-V182 HydrophobicContact CD-CG2 4.22Å; K160-V182 HydrophobicContact CG-CG2 4.22Å; K160-C185 PolarHBondContact NZ-SG 3.47Å
161T73.9Confident77.7Confident4 Ų447.8 Ų47.83%0.02525%0.247CC..Hα-helixtrans-63.7-43.5168.7-45.10000110.6E158 Q164 V165 V176 M496E158-T161 CarbonylContact O-C 3.59Å; E158-T161 WeakPolarHBondContact O-CA 3.31Å; E158-T161 WeakPolarHBondContact O-CB 3.45Å; E158-T161 PolarHBondContact O-N 3.05Å; T161-Q164 PolarHBondContact O-N 2.82Å; T161-V165 WeakPolarHBondContact O-CG2 3.25Å; T161-V165 PolarHBondContact O-N 2.76Å; T161-V176 HydrophobicContact CG2-CB 4.46Å; T161-V176 HydrophobicContact CG2-CG2 4.3Å; T161-M496 HydrophobicContact CG2-CG 3.55Å; T161-M496 HydrophobicContact CG2-SD 3.52Å; T161-M496 VanDerWaalsContact CG2-SD 3.52Å
162L78.3Confident76.2Confident57 Ų5749 Ų4930%0.29825%0.253SS..Hα-helixtrans-64.7-48.6-179.3-159.285.9000111.8E158 Q164 V165 E166 Y506E158-L162 PolarHBondContact O-N 2.93Å; L162-Q164 PolarHBondContact O-N 2.97Å; L162-V165 PolarHBondContact O-N 3.07Å; L162-V165 VanDerWaalsContact O-N 3.12Å; L162-E166 WeakPolarHBondContact CD2-OE1 3.4Å; L162-E166 WeakPolarHBondContact O-CB 3.43Å; L162-E166 WeakPolarHBondContact O-CG 3.15Å; L162-E166 PolarHBondContact O-N 3.18Å; L162-Y506 HydrophobicContact CD1-CE2 4.37Å; L162-Y506 WeakPolarHBondContact CD1-OH 3.23Å
163E73.9Confident75Confident62 Ų6252.2 Ų52.229%0.2929%0.287SS..Hα-helixtrans-55-36.3176-80.2177.1131.100112.2A159 K160 E167 K189A159-E163 WeakPolarHBondContact O-CG 3.49Å; A159-E163 PolarHBondContact O-N 3.02Å; K160-E163 WeakPolarHBondContact CE-OE2 3.35Å; K160-E163 IonicContact NZ-OE1 3.32Å; K160-E163 IonicContact NZ-OE2 3.62Å; K160-E163 PolarHBondContact NZ-OE2 3.31Å; E163-E167 PolarHBondContact O-N 3Å; E163-K189 IonicContact OE1-NZ 2.69Å; E163-K189 PolarHBondContact OE1-NZ 3.2Å
164Q70.2Confident74.4Confident22 Ų2259.3 Ų59.310%0.10332%0.32CS..Hα-helixtrans-81.8-28.3178-70.7-169.2-14.700113.9K160 T161 L162 E166 E167 Y168 V176K160-Q164 PolarHBondContact O-N 3.09Å; T161-Q164 PolarHBondContact O-N 2.82Å; L162-Q164 PolarHBondContact O-N 2.97Å; Q164-E166 VanDerWaalsContact C-N 3.34Å; Q164-E167 PolarHBondContact O-N 3.5Å; Q164-Y168 HydrophobicContact CB-CD2 4.38Å; Q164-Y168 WeakPolarHBondContact O-CD2 3.29Å; Q164-Y168 PolarHBondContact O-N 3.41Å; Q164-V176 HydrophobicContact CB-CG2 4.23Å
165V76.3Confident74.2Confident15 Ų1559.9 Ų59.99%0.09132%0.322CS..Hα-helixtrans-72.2-30.3171.2167.60000111.2T161 L162 E167 G169 L170 L172 M496 Y506T161-V165 WeakPolarHBondContact O-CG2 3.25Å; T161-V165 PolarHBondContact O-N 2.76Å; L162-V165 PolarHBondContact O-N 3.07Å; L162-V165 VanDerWaalsContact O-N 3.12Å; V165-E167 VanDerWaalsContact C-N 3.35Å; V165-G169 CarbonylContact O-C 3.5Å; V165-G169 VanDerWaalsContact O-CA 3.22Å; V165-G169 WeakPolarHBondContact O-CA 3.49Å; V165-G169 PolarHBondContact O-N 3.12Å; V165-L170 HydrophobicContact CG1-CD2 3.86Å; V165-L172 HydrophobicContact CG2-CD1 4.23Å; V165-M496 HydrophobicContact CG2-SD 4.1Å; V165-Y506 HydrophobicContact CG1-CD1 4.35Å; V165-Y506 HydrophobicContact CG1-CD2 4.33Å; V165-Y506 HydrophobicContact CG1-CG 4.01Å; V165-Y506 HydrophobicContact CG2-CD2 3.9Å; V165-Y506 HydrophobicContact CG2-CG 4.15Å
166E77.5Confident74.3Confident145 Ų14558.9 Ų58.968%0.67832%0.315SS*.Hα-helixtrans-69.9-29.4169.5-72.2172.1-176.300112.5L162 Q164L162-E166 WeakPolarHBondContact CD2-OE1 3.4Å; L162-E166 WeakPolarHBondContact O-CB 3.43Å; L162-E166 WeakPolarHBondContact O-CG 3.15Å; L162-E166 PolarHBondContact O-N 3.18Å; Q164-E166 VanDerWaalsContact C-N 3.34Å
167E72.9Confident74.7Confident108 Ų10858 Ų5851%0.50531%0.31SS..Hα-helixtrans-84.4-46179.6-174.2178.1-17100113.5E163 Q164 V165E163-E167 PolarHBondContact O-N 3Å; Q164-E167 PolarHBondContact O-N 3.5Å; V165-E167 VanDerWaalsContact C-N 3.35Å
168Y72.8Confident75.4Confident136 Ų13657.7 Ų57.753%0.53331%0.307SS..Hα-helixtrans-110.3-10.8-171.8-60.6-70000114.7Q164Q164-Y168 HydrophobicContact CB-CD2 4.38Å; Q164-Y168 WeakPolarHBondContact O-CD2 3.29Å; Q164-Y168 PolarHBondContact O-N 3.41Å
169G77.2Confident75.9Confident29 Ų2956.6 Ų56.630%0.29930%0.302SS..  trans97.1-171.7-179.400000115V165V165-G169 CarbonylContact O-C 3.5Å; V165-G169 VanDerWaalsContact O-CA 3.22Å; V165-G169 WeakPolarHBondContact O-CA 3.49Å; V165-G169 PolarHBondContact O-N 3.12Å
170L75.2Confident76.9Confident111 Ų11156.7 Ų56.758%0.58129%0.293SS*.SBendtrans-82.6-24.7-170.1-64.3173000114.8V165 S505 Y506V165-L170 HydrophobicContact CG1-CD2 3.86Å; L170-S505 WeakPolarHBondContact O-CA 3.37Å; L170-Y506 HydrophobicContact CD2-CD1 3.89Å; L170-Y506 HydrophobicContact CD2-CG 4.35Å; L170-Y506 PolarHBondContact O-N 3.38Å
171E68.5Low77.5Confident127 Ų12756 Ų5659%0.59329%0.292SS*.EExtended strand (participates in β ladder)trans-99.6115.8174.7-78.1-174.3-125.800109.4R503E171-R503 IonicContact OE2-CZ 3.18Å; E171-R503 IonicContact OE2-NH1 2.66Å; E171-R503 PolarHBondContact OE2-NH1 3.36Å
172L65.1Low78.3Confident25 Ų2556 Ų5613%0.13129%0.291CS..EExtended strand (participates in β ladder)trans-114.6144.5173-58.3-179.7000109.3V165 E174 V176 M496 V504V165-L172 HydrophobicContact CG2-CD1 4.23Å; L172-E174 VanDerWaalsContact C-N 3.26Å; L172-E174 PolarHBondContact O-N 2.93Å; L172-V176 HydrophobicContact CD1-CG2 3.54Å; L172-M496 HydrophobicContact CB-CE 4.35Å; L172-M496 HydrophobicContact CD1-CE 3.83Å; L172-M496 HydrophobicContact CG-CE 4.2Å; L172-V504 CarbonylContact C-O 3.56Å; L172-V504 PolarHBondContact N-O 3.11Å; L172-V504 CarbonylContact O-C 3.55Å; L172-V504 WeakPolarHBondContact O-CA 3.48Å; L172-V504 PolarHBondContact O-N 3.44Å
173G65.6Low79Confident69 Ų6953.2 Ų53.271%0.71128%0.277SS*.SBendtrans-68.4-27178.100000113.3
174E74.8Confident79.9Confident152 Ų15251.3 Ų51.371%0.7127%0.268SS*.SBendtrans-146.1166.4-173.2-62.8-177.5166.100110.9L172L172-E174 VanDerWaalsContact C-N 3.26Å; L172-E174 PolarHBondContact O-N 2.93Å
175F78.7Confident80.8Confident38 Ų3851.2 Ų51.217%0.16727%0.27CS..  trans-70.3128.4175.6-73.7-75.9000112.5S177 P470 D474 D478 M496 M498 V504F175-S177 PolarHBondContact O-N 3.01Å; F175-P470 HydrophobicContact CB-CB 3.55Å; F175-D474 HydrophobicContact CD1-CB 3.87Å; F175-D474 HydrophobicContact CE1-CB 3.79Å; F175-D478 HydrophobicContact CZ-CB 4.18Å; F175-M496 HydrophobicContact CD1-CB 3.67Å; F175-M496 HydrophobicContact CD1-CG 4.49Å; F175-M496 HydrophobicContact CE1-CB 3.79Å; F175-M498 HydrophobicContact CE2-CB 4.18Å; F175-M498 HydrophobicContact CZ-CB 3.92Å; F175-V504 HydrophobicContact CD1-CG1 3.55Å; F175-V504 HydrophobicContact CD2-CG1 4.5Å; F175-V504 HydrophobicContact CD2-CG2 4.25Å; F175-V504 HydrophobicContact CE1-CG1 3.67Å; F175-V504 HydrophobicContact CE2-CG2 4.34Å; F175-V504 HydrophobicContact CG-CG1 3.99Å; F175-V504 HydrophobicContact CG-CG2 4.43Å; F175-V504 HydrophobicContact CZ-CG1 4.22Å
176V80.8Confident81.6Confident7 Ų750.7 Ų50.74%0.04227%0.267CS..  trans-49.5121.8175.6165.80000112.9T161 Q164 L172 T178 P470 S471T161-V176 HydrophobicContact CG2-CB 4.46Å; T161-V176 HydrophobicContact CG2-CG2 4.3Å; Q164-V176 HydrophobicContact CB-CG2 4.23Å; L172-V176 HydrophobicContact CD1-CG2 3.54Å; V176-T178 PolarHBondContact O-N 3.32Å; V176-P470 CarbonylContact O-C 3.54Å; V176-S471 PolarHBondContact O-N 2.63Å
177S87.7Confident82.4Confident14 Ų1443.8 Ų43.810%0.09823%0.234CC..  trans-75.9103.6167-177.20000111.1F175 A179 K180 G181 L468 P469F175-S177 PolarHBondContact O-N 3.01Å; S177-A179 PolarHBondContact O-N 2.96Å; S177-K180 WeakPolarHBondContact O-CB 3.37Å; S177-K180 PolarHBondContact O-N 3.3Å; S177-K180 VanDerWaalsContact O-N 3.16Å; S177-K180 PolarHBondContact OG-N 2.86Å; S177-G181 PolarHBondContact O-N 3.38Å; S177-G181 VanDerWaalsContact O-N 3.17Å; S177-L468 WeakPolarHBondContact OG-CB 3.46Å; S177-P469 WeakPolarHBondContact CA-O 3.34Å; S177-P469 VanDerWaalsContact CB-O 3.26Å; S177-P469 WeakPolarHBondContact CB-O 3.36Å; S177-P469 PolarHBondContact OG-O 2.64Å
178T87.2Confident83.2Confident2 Ų241.9 Ų41.91%0.01223%0.225CC..Hα-helixtrans-60.6-29.9175.857.60000112.8V176 V182V176-T178 PolarHBondContact O-N 3.32Å; T178-V182 WeakPolarHBondContact O-CG2 3.23Å; T178-V182 PolarHBondContact O-N 3.48Å
179A90.9Very high84Confident0 Ų040.4 Ų40.40%022%0.222CC..Hα-helixtrans-67.1-46.5173.900000111.7F122 L126 S177 G181 V182 F183 L468F122-A179 HydrophobicContact CD2-CB 4.12Å; F122-A179 VanDerWaalsContact CD2-O 3.31Å; F122-A179 WeakPolarHBondContact CD2-O 3.37Å; F122-A179 HydrophobicContact CE2-CB 3.97Å; F122-A179 WeakPolarHBondContact CE2-O 3.22Å; F122-A179 HydrophobicContact CZ-CB 4.32Å; L126-A179 HydrophobicContact CD1-CB 4.01Å; S177-A179 PolarHBondContact O-N 2.96Å; A179-G181 PolarHBondContact O-N 3.49Å; A179-V182 PolarHBondContact O-N 3.19Å; A179-F183 PolarHBondContact O-N 3.49Å; A179-L468 HydrophobicContact CB-CD1 4.31Å
180K92Very high84.6Confident48 Ų4842.2 Ų42.221%0.20922%0.22CC..Hα-helixtrans-54.1-54.1175.1-167.8-161.3174.8-170.70110.9S177 V182 F183 Q184 I461 L468S177-K180 WeakPolarHBondContact O-CB 3.37Å; S177-K180 PolarHBondContact O-N 3.3Å; S177-K180 VanDerWaalsContact O-N 3.16Å; S177-K180 PolarHBondContact OG-N 2.86Å; K180-V182 PolarHBondContact O-N 3.17Å; K180-F183 PolarHBondContact O-N 3.07Å; K180-F183 VanDerWaalsContact O-N 3.17Å; K180-Q184 WeakPolarHBondContact O-CB 3.45Å; K180-Q184 PolarHBondContact O-N 3.49Å; K180-I461 HydrophobicContact CG-CD1 4.37Å; K180-I461 HydrophobicContact CG-CG1 3.85Å; K180-L468 HydrophobicContact CB-CD1 4.19Å
181G88.5Confident85.4Confident5 Ų536.9 Ų36.95%0.05219%0.192CC..Hα-helixtrans-65-20.1-178.300000115.1K160 S177 A179 C185K160-G181 VanDerWaalsContact CD-O 3.31Å; K160-G181 WeakPolarHBondContact CD-O 3.31Å; K160-G181 WeakPolarHBondContact CE-O 3.29Å; K160-G181 PolarHBondContact NZ-O 3.43Å; S177-G181 PolarHBondContact O-N 3.38Å; S177-G181 VanDerWaalsContact O-N 3.17Å; A179-G181 PolarHBondContact O-N 3.49Å; G181-C185 WeakPolarHBondContact O-CB 3.06Å; G181-C185 PolarHBondContact O-N 2.93Å
182V90.2Very high86.4Confident3 Ų330.9 Ų30.92%0.01816%0.164CC..Hα-helixtrans-76.4-43172.9163.30000111.5A118 R121 F122 Y125 K160 T178 A179 K180 L186A118-V182 HydrophobicContact CB-CG1 3.91Å; A118-V182 WeakPolarHBondContact O-CG1 3.49Å; R121-V182 HydrophobicContact CB-CG1 4.29Å; F122-V182 HydrophobicContact CB-CG1 4.41Å; Y125-V182 HydrophobicContact CE2-CG2 4.03Å; K160-V182 HydrophobicContact CD-CG2 4.22Å; K160-V182 HydrophobicContact CG-CG2 4.22Å; T178-V182 WeakPolarHBondContact O-CG2 3.23Å; T178-V182 PolarHBondContact O-N 3.48Å; A179-V182 PolarHBondContact O-N 3.19Å; K180-V182 PolarHBondContact O-N 3.17Å; V182-L186 PolarHBondContact O-N 2.99Å
183F93.8Very high87.5Confident0 Ų029.9 Ų29.90%016%0.159CC..Hα-helixtrans-74-47.5179.6-175.8-81.2000111.6L86 W87 A90 F122 A179 K180 C185 L186 V187 L457 I461L86-F183 HydrophobicContact CD1-CE1 4.05Å; L86-F183 HydrophobicContact CD1-CE2 4.18Å; L86-F183 HydrophobicContact CD1-CZ 3.54Å; L86-F183 HydrophobicContact CD2-CD1 4.41Å; L86-F183 HydrophobicContact CD2-CD2 4.32Å; L86-F183 HydrophobicContact CD2-CE1 4.12Å; L86-F183 HydrophobicContact CD2-CE2 4.05Å; L86-F183 HydrophobicContact CD2-CG 4.5Å; L86-F183 HydrophobicContact CD2-CZ 3.94Å; L86-F183 HydrophobicContact CG-CD2 4.45Å; L86-F183 HydrophobicContact CG-CE1 4.24Å; L86-F183 HydrophobicContact CG-CE2 3.74Å; L86-F183 HydrophobicContact CG-CZ 3.61Å; W87-F183 HydrophobicContact CD2-CD2 4.24Å; W87-F183 HydrophobicContact CD2-CE2 4.24Å; W87-F183 AromaticContact CE2-CD2 3.74Å; W87-F183 HydrophobicContact CE3-CE2 4.44Å; W87-F183 HydrophobicContact CH2-CD2 4.02Å; W87-F183 AromaticContact CZ2-CD2 3.62Å; W87-F183 HydrophobicContact CZ2-CD2 3.62Å; W87-F183 HydrophobicContact CZ2-CE2 4.37Å; W87-F183 HydrophobicContact CZ3-CD2 4.49Å; A90-F183 HydrophobicContact CB-CE2 3.92Å; A90-F183 HydrophobicContact CB-CZ 3.96Å; F122-F183 HydrophobicContact CD2-CB 4.04Å; F122-F183 HydrophobicContact CE2-CB 4.05Å; A179-F183 PolarHBondContact O-N 3.49Å; K180-F183 PolarHBondContact O-N 3.07Å; K180-F183 VanDerWaalsContact O-N 3.17Å; F183-C185 PolarHBondContact O-N 3.26Å; F183-L186 WeakPolarHBondContact O-CB 3.35Å; F183-L186 PolarHBondContact O-N 3.46Å; F183-V187 HydrophobicContact CD1-CG2 3.99Å; F183-V187 HydrophobicContact CE1-CG2 3.6Å; F183-V187 HydrophobicContact CZ-CG2 4.1Å; F183-V187 PolarHBondContact O-N 3.32Å; F183-V187 VanDerWaalsContact O-N 3.12Å; F183-L457 HydrophobicContact CE1-CB 4.34Å; F183-L457 HydrophobicContact CZ-CD2 4.41Å; F183-I461 HydrophobicContact CB-CD1 3.9Å; F183-I461 HydrophobicContact CB-CG1 4.01Å; F183-I461 HydrophobicContact CD1-CB 3.55Å; F183-I461 HydrophobicContact CD1-CD1 4.01Å; F183-I461 HydrophobicContact CD1-CG1 3.66Å; F183-I461 HydrophobicContact CD1-CG2 3.85Å; F183-I461 HydrophobicContact CE1-CB 3.96Å; F183-I461 HydrophobicContact CE1-CG2 4.23Å; F183-I461 HydrophobicContact CG-CB 4.45Å; F183-I461 HydrophobicContact CG-CD1 4.07Å; F183-I461 HydrophobicContact CG-CG1 4.13Å
184Q91.9Very high88.3Confident22 Ų2227.8 Ų27.810%0.10313%0.133CC..Hα-helixtrans-52.9-52.9177.4174.6177.3-11.700111.3K180 L186 V187 E188 L458 I461K180-Q184 WeakPolarHBondContact O-CB 3.45Å; K180-Q184 PolarHBondContact O-N 3.49Å; Q184-L186 VanDerWaalsContact C-N 3.28Å; Q184-L186 PolarHBondContact O-N 3.01Å; Q184-V187 PolarHBondContact O-N 2.84Å; Q184-E188 HydrophobicContact CG-CG 4.38Å; Q184-E188 WeakPolarHBondContact CG-OE1 3.4Å; Q184-E188 PolarHBondContact NE2-OE1 3.36Å; Q184-E188 WeakPolarHBondContact O-CG 3.42Å; Q184-E188 PolarHBondContact O-N 3.08Å; Q184-L458 HydrophobicContact CG-CD2 4.29Å; Q184-I461 HydrophobicContact CB-CG2 4.35Å
185C90Very high88.8Confident20 Ų2024.9 Ų24.914%0.13513%0.125CC..Hα-helixtrans-63.2-26.8178.1175.40000114.5K160 G181 F183 E188 K189K160-C185 PolarHBondContact NZ-SG 3.47Å; G181-C185 WeakPolarHBondContact O-CB 3.06Å; G181-C185 PolarHBondContact O-N 2.93Å; F183-C185 PolarHBondContact O-N 3.26Å; C185-E188 WeakPolarHBondContact CA-OE2 3.45Å; C185-K189 WeakPolarHBondContact O-CB 3.19Å; C185-K189 WeakPolarHBondContact O-CG 3.43Å; C185-K189 PolarHBondContact O-N 3.38Å; C185-K189 VanDerWaalsContact O-N 3.12Å; C185-K189 VanDerWaalsContact SG-CD 3.55Å; C185-K189 VanDerWaalsContact SG-CE 3.57Å
186L92.5Very high89.1Confident4 Ų424.2 Ų24.22%0.02112%0.124CC..Hα-helixtrans-67.5-47.1171.817270.2000110.2W87 F94 Q114 F115 A118 V182 F183 Q184 Y190 F191W87-L186 HydrophobicContact CH2-CD2 3.63Å; W87-L186 HydrophobicContact CZ3-CD2 3.65Å; F94-L186 HydrophobicContact CE2-CD2 4.38Å; F94-L186 HydrophobicContact CE2-CG 4.44Å; F94-L186 HydrophobicContact CZ-CD1 4.25Å; F94-L186 HydrophobicContact CZ-CD2 4.24Å; F94-L186 HydrophobicContact CZ-CG 3.88Å; Q114-L186 HydrophobicContact CB-CD1 4.32Å; F115-L186 HydrophobicContact CB-CD1 4.32Å; F115-L186 HydrophobicContact CB-CD2 4.39Å; F115-L186 HydrophobicContact CD2-CD2 3.86Å; F115-L186 HydrophobicContact CE2-CD2 4.48Å; F115-L186 HydrophobicContact CG-CD2 4.27Å; A118-L186 HydrophobicContact CB-CB 4.15Å; A118-L186 HydrophobicContact CB-CD1 4.29Å; A118-L186 HydrophobicContact CB-CD2 3.97Å; A118-L186 HydrophobicContact CB-CG 4.35Å; V182-L186 PolarHBondContact O-N 2.99Å; F183-L186 WeakPolarHBondContact O-CB 3.35Å; F183-L186 PolarHBondContact O-N 3.46Å; Q184-L186 VanDerWaalsContact C-N 3.28Å; Q184-L186 PolarHBondContact O-N 3.01Å; L186-Y190 HydrophobicContact CD1-CD2 4.16Å; L186-Y190 WeakPolarHBondContact O-CB 3.36Å; L186-Y190 PolarHBondContact O-N 3.32Å; L186-F191 PolarHBondContact O-N 3Å
187V93.6Very high89.3Confident0 Ų025.5 Ų25.50%013%0.131CC..Hα-helixtrans-66.9-42.6-178.81770000110.9F183 Q184 F191 Q454 L457 L458F183-V187 HydrophobicContact CD1-CG2 3.99Å; F183-V187 HydrophobicContact CE1-CG2 3.6Å; F183-V187 HydrophobicContact CZ-CG2 4.1Å; F183-V187 PolarHBondContact O-N 3.32Å; F183-V187 VanDerWaalsContact O-N 3.12Å; Q184-V187 PolarHBondContact O-N 2.84Å; V187-F191 HydrophobicContact CG1-CB 4.39Å; V187-F191 WeakPolarHBondContact O-CB 3.31Å; V187-F191 PolarHBondContact O-N 3.07Å; V187-Q454 HydrophobicContact CG1-CG 3.55Å; V187-Q454 PolarHBondContact O-NE2 3.12Å; V187-L457 HydrophobicContact CG1-CB 3.98Å; V187-L457 HydrophobicContact CG1-CD1 4.4Å; V187-L457 HydrophobicContact CG2-CB 4Å; V187-L457 HydrophobicContact CG2-CD1 4.04Å; V187-L458 HydrophobicContact CB-CD2 4.03Å; V187-L458 HydrophobicContact CG1-CD2 3.78Å; V187-L458 HydrophobicContact CG1-CG 3.85Å
188E91.1Very high89Confident68 Ų6829.2 Ų29.232%0.31815%0.15SC..Hα-helixtrans-64.1-53.8177.2-68.8161.2167.500112.3Q184 C185 N196 L458Q184-E188 HydrophobicContact CG-CG 4.38Å; Q184-E188 WeakPolarHBondContact CG-OE1 3.4Å; Q184-E188 PolarHBondContact NE2-OE1 3.36Å; Q184-E188 WeakPolarHBondContact O-CG 3.42Å; Q184-E188 PolarHBondContact O-N 3.08Å; C185-E188 WeakPolarHBondContact CA-OE2 3.45Å; E188-N196 PolarHBondContact O-ND2 3.29Å; E188-N196 PolarHBondContact O-OD1 2.94Å; E188-L458 HydrophobicContact CG-CD2 4.23Å
189K88Confident88.8Confident105 Ų10533.4 Ų33.446%0.45717%0.173SC..Hα-helixtrans-92.3-12.8-165.4-53.4-173.7-169.8179.10114.2E163 C185E163-K189 IonicContact OE1-NZ 2.69Å; E163-K189 PolarHBondContact OE1-NZ 3.2Å; C185-K189 WeakPolarHBondContact O-CB 3.19Å; C185-K189 WeakPolarHBondContact O-CG 3.43Å; C185-K189 PolarHBondContact O-N 3.38Å; C185-K189 VanDerWaalsContact O-N 3.12Å; C185-K189 VanDerWaalsContact SG-CD 3.55Å; C185-K189 VanDerWaalsContact SG-CE 3.57Å
190Y90.4Very high88.3Confident66 Ų6635.6 Ų35.626%0.25918%0.182SC..Hα-helixtrans-138.1-11-175.5-58.5-74.3000116.3Y107 Q114 L186Y107-Y190 PolarHBondContact OH-O 2.83Å; Q114-Y190 HydrophobicContact CB-CD1 4.29Å; Q114-Y190 HydrophobicContact CB-CD2 3.97Å; Q114-Y190 HydrophobicContact CB-CE1 4.36Å; Q114-Y190 HydrophobicContact CB-CE2 4.03Å; Q114-Y190 HydrophobicContact CB-CG 4.09Å; Q114-Y190 HydrophobicContact CG-CD1 4.1Å; Q114-Y190 HydrophobicContact CG-CD2 4.28Å; Q114-Y190 HydrophobicContact CG-CE1 3.74Å; Q114-Y190 HydrophobicContact CG-CE2 3.91Å; Q114-Y190 HydrophobicContact CG-CG 4.36Å; L186-Y190 HydrophobicContact CD1-CD2 4.16Å; L186-Y190 WeakPolarHBondContact O-CB 3.36Å; L186-Y190 PolarHBondContact O-N 3.32Å
191F92.5Very high87.5Confident0 Ų035.8 Ų35.80%019%0.19CC..SBendtrans-60.4136.8172.5-168.8-84.9000109.8F93 F94 A97 Y107 L186 V187 T193 N196 C450 M453 Q454 L457F93-F191 HydrophobicContact CB-CE2 3.9Å; F93-F191 HydrophobicContact CB-CZ 4.16Å; F94-F191 HydrophobicContact CD1-CD2 4.46Å; F94-F191 AromaticContact CD2-CD2 3.67Å; F94-F191 HydrophobicContact CD2-CD2 3.67Å; F94-F191 AromaticContact CD2-CE2 3.97Å; F94-F191 HydrophobicContact CD2-CE2 3.97Å; F94-F191 HydrophobicContact CE1-CB 4.36Å; F94-F191 HydrophobicContact CE1-CD2 4.34Å; F94-F191 HydrophobicContact CE2-CB 4.46Å; F94-F191 AromaticContact CE2-CD2 3.54Å; F94-F191 HydrophobicContact CE2-CD2 3.54Å; F94-F191 HydrophobicContact CE2-CE2 4.28Å; F94-F191 HydrophobicContact CE2-CG 4.47Å; F94-F191 HydrophobicContact CG-CD2 4.16Å; F94-F191 HydrophobicContact CG-CE2 4.37Å; F94-F191 HydrophobicContact CZ-CB 4Å; F94-F191 AromaticContact CZ-CD2 3.88Å; F94-F191 HydrophobicContact CZ-CD2 3.88Å; F94-F191 HydrophobicContact CZ-CG 4.4Å; A97-F191 HydrophobicContact CB-CE1 3.66Å; A97-F191 HydrophobicContact CB-CE2 4.48Å; A97-F191 HydrophobicContact CB-CZ 3.58Å; Y107-F191 PolarHBondContact OH-O 3.36Å; L186-F191 PolarHBondContact O-N 3Å; V187-F191 HydrophobicContact CG1-CB 4.39Å; V187-F191 WeakPolarHBondContact O-CB 3.31Å; V187-F191 PolarHBondContact O-N 3.07Å; F191-T193 HydrophobicContact CD1-CG2 4.02Å; F191-T193 PolarHBondContact O-N 3.48Å; F191-N196 PolarHBondContact O-ND2 3.17Å; F191-C450 HydrophobicContact CE1-CB 4.49Å; F191-C450 VanDerWaalsContact CE1-O 3.25Å; F191-C450 WeakPolarHBondContact CE1-O 3.47Å; F191-M453 HydrophobicContact CE1-CB 4.28Å; F191-M453 HydrophobicContact CZ-CB 3.69Å; F191-Q454 HydrophobicContact CB-CG 4.09Å; F191-Q454 HydrophobicContact CD1-CB 3.76Å; F191-Q454 HydrophobicContact CD1-CG 4.05Å; F191-Q454 HydrophobicContact CE1-CB 4.11Å; F191-Q454 HydrophobicContact CG-CB 4.2Å; F191-Q454 HydrophobicContact CG-CG 4.09Å; F191-L457 HydrophobicContact CD2-CD1 3.77Å; F191-L457 HydrophobicContact CE2-CD1 3.68Å
192P89.2Confident86.9Confident0 Ų040.1 Ų40.10%021%0.211CC..  trans-64.2106.1178.6-20.432.8000112A97 L101 L103 Y107 M111 C450A97-P192 HydrophobicContact CB-CB 3.9Å; A97-P192 HydrophobicContact CB-CG 3.91Å; L101-P192 HydrophobicContact CD1-CB 3.86Å; L103-P192 HydrophobicContact CD1-CB 3.69Å; L103-P192 HydrophobicContact CD1-CG 3.55Å; L103-P192 HydrophobicContact CD2-CB 4.42Å; Y107-P192 HydrophobicContact CE1-CG 4.27Å; M111-P192 HydrophobicContact SD-CG 3.6Å; M111-P192 VanDerWaalsContact SD-CG 3.6Å; P192-C450 WeakPolarHBondContact O-CB 3.44Å
193T88.2Confident85.9Confident5 Ų548.8 Ų48.83%0.03124%0.243CC..  trans-131.1159.8167.265.50000108.2F191 T195 N196 V197 Q454F191-T193 HydrophobicContact CD1-CG2 4.02Å; F191-T193 PolarHBondContact O-N 3.48Å; T193-T195 VanDerWaalsContact C-N 3.31Å; T193-T195 PolarHBondContact O-N 3.25Å; T193-N196 PolarHBondContact O-N 3.13Å; T193-N196 VanDerWaalsContact O-N 3.07Å; T193-N196 WeakPolarHBondContact OG1-CB 3.26Å; T193-N196 PolarHBondContact OG1-N 2.88Å; T193-N196 PolarHBondContact OG1-ND2 3.06Å; T193-V197 WeakPolarHBondContact O-CG2 3.41Å; T193-V197 PolarHBondContact O-N 2.92Å; T193-Q454 HydrophobicContact CG2-CB 4.28Å; T193-Q454 HydrophobicContact CG2-CG 4.38Å
194P81.3Confident84.3Confident25 Ų2548.9 Ų48.916%0.16225%0.245CC..Hα-helixtrans-51.3-52.7177-29.238.5000111.5N196 V197 D198 K447P194-N196 VanDerWaalsContact C-N 3.29Å; P194-N196 PolarHBondContact O-N 3.47Å; P194-V197 PolarHBondContact O-N 2.97Å; P194-V197 VanDerWaalsContact O-N 3.14Å; P194-D198 VanDerWaalsContact O-CB 3.31Å; P194-D198 WeakPolarHBondContact O-CB 3.28Å; P194-D198 PolarHBondContact O-N 3.3Å; P194-K447 HydrophobicContact CG-CB 4Å; P194-K447 HydrophobicContact CG-CD 3.82Å; P194-K447 HydrophobicContact CG-CG 3.63Å
195T85.3Confident82.2Confident90 Ų9052.6 Ų52.655%0.55227%0.265SS*.Hα-helixtrans-53.2-41.7177.3-41.40000113T193 N199T193-T195 VanDerWaalsContact C-N 3.31Å; T193-T195 PolarHBondContact O-N 3.25Å; T195-N199 WeakPolarHBondContact O-CB 3.1Å; T195-N199 PolarHBondContact O-N 2.7Å; T195-N199 PolarHBondContact O-ND2 3.09Å
196N86.5Confident80.1Confident25 Ų2559.1 Ų59.113%0.13429%0.292CS..Hα-helixtrans-75.3-37.8-179.8-75.3-12.6000113E188 F191 T193 P194 F200E188-N196 PolarHBondContact O-ND2 3.29Å; E188-N196 PolarHBondContact O-OD1 2.94Å; F191-N196 PolarHBondContact O-ND2 3.17Å; T193-N196 PolarHBondContact O-N 3.13Å; T193-N196 VanDerWaalsContact O-N 3.07Å; T193-N196 WeakPolarHBondContact OG1-CB 3.26Å; T193-N196 PolarHBondContact OG1-N 2.88Å; T193-N196 PolarHBondContact OG1-ND2 3.06Å; P194-N196 VanDerWaalsContact C-N 3.29Å; P194-N196 PolarHBondContact O-N 3.47Å; N196-F200 VanDerWaalsContact O-CB 3.26Å; N196-F200 WeakPolarHBondContact O-CB 3.36Å; N196-F200 PolarHBondContact O-N 3.22Å
197V83.9Confident77.5Confident33 Ų3364.3 Ų64.320%0.232%0.318CS..Hα-helixtrans-69.7-41.1176.3176.20000110.9L103 Y107 T193 P194 F200 S201L103-V197 HydrophobicContact CD2-CG1 4.49Å; L103-V197 HydrophobicContact CD2-CG2 3.62Å; Y107-V197 HydrophobicContact CD2-CG2 4.21Å; Y107-V197 HydrophobicContact CE2-CB 4.46Å; Y107-V197 HydrophobicContact CE2-CG2 3.91Å; T193-V197 WeakPolarHBondContact O-CG2 3.41Å; T193-V197 PolarHBondContact O-N 2.92Å; P194-V197 PolarHBondContact O-N 2.97Å; P194-V197 VanDerWaalsContact O-N 3.14Å; V197-F200 PolarHBondContact O-N 3.16Å; V197-S201 WeakPolarHBondContact O-CB 3.25Å; V197-S201 PolarHBondContact O-N 3.22Å; V197-S201 PolarHBondContact O-OG 3.17Å
198D82.7Confident74.9Confident93 Ų9367.1 Ų67.150%0.49734%0.342SS..Hα-helixtrans-64.8-48174.7-65.3-27.4000110.6P194 F200 S201 L202P194-D198 VanDerWaalsContact O-CB 3.31Å; P194-D198 WeakPolarHBondContact O-CB 3.28Å; P194-D198 PolarHBondContact O-N 3.3Å; D198-F200 VanDerWaalsContact C-N 3.33Å; D198-F200 PolarHBondContact O-N 2.99Å; D198-S201 PolarHBondContact O-N 3.2Å; D198-L202 WeakPolarHBondContact O-CB 3.46Å; D198-L202 VanDerWaalsContact O-CG 3.29Å; D198-L202 WeakPolarHBondContact O-CG 3.49Å; D198-L202 PolarHBondContact O-N 3.37Å
199N82.4Confident72.3Confident90 Ų9068.9 Ų68.948%0.48136%0.362SS..Hα-helixtrans-60.2-39.7175.1-81.1-32.2000112.7T195 R203T195-N199 WeakPolarHBondContact O-CB 3.1Å; T195-N199 PolarHBondContact O-N 2.7Å; T195-N199 PolarHBondContact O-ND2 3.09Å; N199-R203 VanDerWaalsContact O-CB 3.29Å; N199-R203 WeakPolarHBondContact O-CB 3.38Å; N199-R203 PolarHBondContact O-N 3.16Å
200F80.3Confident69.9Low45 Ų4568.1 Ų68.120%0.19738%0.375CS..Hα-helixtrans-65.6-41.5175.5-176.5-90.8000111.7R106 Y107 T110 N196 V197 D198 R203 G204R106-F200 HydrophobicContact CB-CE1 4.33Å; R106-F200 HydrophobicContact CG-CE1 4.01Å; R106-F200 HydrophobicContact CG-CZ 4.03Å; Y107-F200 HydrophobicContact CD2-CB 3.66Å; Y107-F200 AromaticContact CD2-CD1 3.67Å; Y107-F200 HydrophobicContact CD2-CD1 3.67Å; Y107-F200 HydrophobicContact CD2-CD2 4.11Å; Y107-F200 HydrophobicContact CD2-CE1 4.32Å; Y107-F200 AromaticContact CD2-CG 3.54Å; Y107-F200 HydrophobicContact CD2-CG 3.54Å; Y107-F200 HydrophobicContact CE2-CB 3.76Å; Y107-F200 HydrophobicContact CE2-CD2 4.42Å; Y107-F200 HydrophobicContact CE2-CG 4.02Å; Y107-F200 HydrophobicContact CG-CD1 4.38Å; T110-F200 HydrophobicContact CG2-CE2 4.02Å; N196-F200 VanDerWaalsContact O-CB 3.26Å; N196-F200 WeakPolarHBondContact O-CB 3.36Å; N196-F200 PolarHBondContact O-N 3.22Å; V197-F200 PolarHBondContact O-N 3.16Å; D198-F200 VanDerWaalsContact C-N 3.33Å; D198-F200 PolarHBondContact O-N 2.99Å; F200-R203 PolarHBondContact O-N 3.37Å; F200-G204 PolarHBondContact O-N 3.06Å
201S75.8Confident67Low52 Ų5266.5 Ų66.536%0.36438%0.379SS..Hα-helixtrans-65.5-50.2177.8-56.20000110.9V197 D198 R203 G204 D205V197-S201 WeakPolarHBondContact O-CB 3.25Å; V197-S201 PolarHBondContact O-N 3.22Å; V197-S201 PolarHBondContact O-OG 3.17Å; D198-S201 PolarHBondContact O-N 3.2Å; S201-R203 VanDerWaalsContact C-N 3.25Å; S201-R203 PolarHBondContact O-N 3.47Å; S201-G204 CarbonylContact O-C 3.56Å; S201-G204 WeakPolarHBondContact O-CA 3.16Å; S201-G204 PolarHBondContact O-N 3.27Å; S201-D205 PolarHBondContact O-N 2.78Å
202L74.4Confident64Low97 Ų9773.6 Ų73.651%0.50842%0.416SS..Hα-helixtrans-56.2-36.3173.9-71.2167.9000113D198 K206D198-L202 WeakPolarHBondContact O-CB 3.46Å; D198-L202 VanDerWaalsContact O-CG 3.29Å; D198-L202 WeakPolarHBondContact O-CG 3.49Å; D198-L202 PolarHBondContact O-N 3.37Å; L202-K206 WeakPolarHBondContact O-CB 3.32Å; L202-K206 VanDerWaalsContact O-CG 3.24Å; L202-K206 WeakPolarHBondContact O-CG 3.35Å; L202-K206 PolarHBondContact O-N 2.7Å; L202-K206 VanDerWaalsContact O-N 3.13Å
203R69.6Low61.1Low184 Ų18483.8 Ų83.869%0.69446%0.455SS*.Hα-helixtrans-74.1-35173.8-168.6175.2-172.2170.13.5112N199 F200 S201 L207N199-R203 VanDerWaalsContact O-CB 3.29Å; N199-R203 WeakPolarHBondContact O-CB 3.38Å; N199-R203 PolarHBondContact O-N 3.16Å; F200-R203 PolarHBondContact O-N 3.37Å; S201-R203 VanDerWaalsContact C-N 3.25Å; S201-R203 PolarHBondContact O-N 3.47Å; R203-L207 WeakPolarHBondContact O-CD1 3.33Å; R203-L207 WeakPolarHBondContact O-CG 3.39Å; R203-L207 PolarHBondContact O-N 3.43Å
204G60.7Low58.3Low3 Ų388.6 Ų88.63%0.03149%0.489CS..Hα-helixtrans-64.9-41.3174.300000112.9F200 S201 L207 A208F200-G204 PolarHBondContact O-N 3.06Å; S201-G204 CarbonylContact O-C 3.56Å; S201-G204 WeakPolarHBondContact O-CA 3.16Å; S201-G204 PolarHBondContact O-N 3.27Å; G204-L207 PolarHBondContact O-N 3.32Å; G204-A208 PolarHBondContact O-N 3.2Å
205D48.1Very low55.9Low99 Ų9991 Ų9153%0.52951%0.506SS..Hα-helixtrans-74.7-41179.9-65.9-25.8000111.5S201 L207 A208 S209S201-D205 PolarHBondContact O-N 2.78Å; D205-L207 PolarHBondContact O-N 2.81Å; D205-A208 PolarHBondContact O-N 2.7Å; D205-S209 WeakPolarHBondContact O-CB 3.37Å; D205-S209 PolarHBondContact O-N 3.27Å; D205-S209 PolarHBondContact O-OG 2.83Å
206K46.4Very low53.3Low158 Ų15893.5 Ų93.569%0.68752%0.516SS*.Hα-helixtrans-58.7-27.3169.8-76.5173.2-179.3178.80113.2L202 A210L202-K206 WeakPolarHBondContact O-CB 3.32Å; L202-K206 VanDerWaalsContact O-CG 3.24Å; L202-K206 WeakPolarHBondContact O-CG 3.35Å; L202-K206 PolarHBondContact O-N 2.7Å; L202-K206 VanDerWaalsContact O-N 3.13Å; K206-A210 WeakPolarHBondContact O-CB 3.41Å
207L37.5Very low50.9Low112 Ų11297 Ų9759%0.58654%0.538SS*.Hα-helixtrans-84.1-32.2173.2-75.6166.2000112.8R203 G204 D205R203-L207 WeakPolarHBondContact O-CD1 3.33Å; R203-L207 WeakPolarHBondContact O-CG 3.39Å; R203-L207 PolarHBondContact O-N 3.43Å; G204-L207 PolarHBondContact O-N 3.32Å; D205-L207 PolarHBondContact O-N 2.81Å
208A39.1Very low48.5Very low59 Ų5999.8 Ų99.849%0.48856%0.556SS.*Hα-helixtrans-74-46.5177.200000112G204 D205 A210 G211G204-A208 PolarHBondContact O-N 3.2Å; D205-A208 PolarHBondContact O-N 2.7Å; A208-A210 PolarHBondContact O-N 3.47Å; A208-G211 PolarHBondContact O-N 3.18Å; A208-G211 VanDerWaalsContact O-N 3.16Å
209S35.4Very low46.2Very low106 Ų106101.3 Ų101.374%0.74156%0.563SS**THydrogen-bonded Turntrans-65.1-18.2178.465.30000113.6D205D205-S209 WeakPolarHBondContact O-CB 3.37Å; D205-S209 PolarHBondContact O-N 3.27Å; D205-S209 PolarHBondContact O-OG 2.83Å
210A38.1Very low43.7Very low88 Ų88100.2 Ų100.273%0.72756%0.557SS**THydrogen-bonded Turntrans-100.52.4178.900000114K206 A208K206-A210 WeakPolarHBondContact O-CB 3.41Å; A208-A210 PolarHBondContact O-N 3.47Å
211G29.1Very low41.5Very low33 Ų33107.6 Ų107.634%0.3458%0.584SS.*  trans-140.114.1-160.600000117.4A208A208-G211 PolarHBondContact O-N 3.18Å; A208-G211 VanDerWaalsContact O-N 3.16Å
212D30.1Very low39.3Very low148 Ų148107.4 Ų107.479%0.79159%0.585SS**  trans-64.9136.3172.5-171.417.4000110.7
213R29.2Very low37.2Very low214 Ų214104 Ų10481%0.80857%0.574SS**SBendtrans78118.6-166.6-50.6174.2-178.5-166.1-1115.8
214S28Very low35.4Very low107 Ų107101.1 Ų101.175%0.74856%0.563SS**  trans93.24.4166.1-41.70000118.6N216S214-N216 VanDerWaalsContact C-N 3.33Å; S214-N216 PolarHBondContact O-N 2.97Å
215S31Very low34.1Very low74 Ų74103.8 Ų103.852%0.51759%0.585SS.*THydrogen-bonded Turntrans-77.659.4-173.161.50000116.2
216N30.3Very low33.3Very low144 Ų144104.6 Ų104.677%0.7759%0.588SS**THydrogen-bonded Turntrans-124.7-3.9166.8-11411.4000113.9S214S214-N216 VanDerWaalsContact C-N 3.33Å; S214-N216 PolarHBondContact O-N 2.97Å
217T36.9Very low32.6Very low98 Ų9898.2 Ų98.260%0.60157%0.565SS**SBendtrans-117.5-19.1-177.755.10000113.6R221T217-R221 VanDerWaalsContact O-CB 3.28Å; T217-R221 WeakPolarHBondContact O-CB 3.4Å; T217-R221 PolarHBondContact O-N 2.87Å
218T33.9Very low32.3Very low92 Ų9294.3 Ų94.356%0.56455%0.549SS*.Hα-helixtrans-80.8-34.1179.943.80000113.2A222T218-A222 WeakPolarHBondContact O-CB 3.25Å; T218-A222 PolarHBondContact O-N 2.97Å
219L33.3Very low31.8Very low125 Ų12594.5 Ų94.565%0.65456%0.557SS**Hα-helixtrans-69.6-50.1178.1-98.7163.3000112.4R221 A222 G223L219-R221 VanDerWaalsContact C-N 3.27Å; L219-R221 PolarHBondContact O-N 3.12Å; L219-A222 WeakPolarHBondContact O-CA 3.08Å; L219-A222 WeakPolarHBondContact O-CB 3.38Å; L219-A222 PolarHBondContact O-N 3.01Å; L219-G223 PolarHBondContact O-N 3.43Å
220N31.2Very low31.7Very low66 Ų6696 Ų9635%0.35355%0.552SS.*Hα-helixtrans-66.1-31.6178.6-56.247.2000111.5G223 R224 E319N220-G223 PolarHBondContact O-N 3.27Å; N220-R224 PolarHBondContact O-N 3.28Å; N220-R224 VanDerWaalsContact O-N 3.1Å; N220-E319 VanDerWaalsContact ND2-CD 3.31Å; N220-E319 PolarHBondContact ND2-OE1 3.45Å
221R34.2Very low31.3Very low200 Ų20095.3 Ų95.376%0.75555%0.554SS**Hα-helixtrans-69.4-32.1171.7-173.3171-74.1174.3-3.3112.8T217 L219 A225T217-R221 VanDerWaalsContact O-CB 3.28Å; T217-R221 WeakPolarHBondContact O-CB 3.4Å; T217-R221 PolarHBondContact O-N 2.87Å; L219-R221 VanDerWaalsContact C-N 3.27Å; L219-R221 PolarHBondContact O-N 3.12Å; R221-A225 PolarHBondContact O-N 2.95Å
222A28.8Very low31.4Very low48 Ų4898 Ų9840%0.39757%0.567SS.*Hα-helixtrans-72-35.2170.900000112.3T218 L219 A225 I226T218-A222 WeakPolarHBondContact O-CB 3.25Å; T218-A222 PolarHBondContact O-N 2.97Å; L219-A222 WeakPolarHBondContact O-CA 3.08Å; L219-A222 WeakPolarHBondContact O-CB 3.38Å; L219-A222 PolarHBondContact O-N 3.01Å; A222-A225 PolarHBondContact O-N 3.4Å; A222-I226 WeakPolarHBondContact O-CG1 3.35Å; A222-I226 PolarHBondContact O-N 2.93Å; A222-I226 VanDerWaalsContact O-N 3.16Å
223G30.3Very low31.3Very low27 Ų2794.5 Ų94.528%0.27857%0.566SS.*Hα-helixtrans-55.1-57170.800000111.7L219 N220 A225 I226 A227L219-G223 PolarHBondContact O-N 3.43Å; N220-G223 PolarHBondContact O-N 3.27Å; G223-A225 VanDerWaalsContact C-N 3.33Å; G223-A225 PolarHBondContact O-N 3.42Å; G223-I226 PolarHBondContact O-N 2.79Å; G223-I226 VanDerWaalsContact O-N 3.09Å; G223-A227 VanDerWaalsContact O-CB 3.3Å; G223-A227 WeakPolarHBondContact O-CB 3.4Å; G223-A227 PolarHBondContact O-N 2.96Å
224R32.5Very low31.6Very low123 Ų12390.1 Ų90.146%0.46456%0.558SS.*Hα-helixtrans-59.3-38.8178.4-65.3174.9-160.4-149.9-3.9113.1N220 I226 A227 A228 D317 E319N220-R224 PolarHBondContact O-N 3.28Å; N220-R224 VanDerWaalsContact O-N 3.1Å; R224-I226 VanDerWaalsContact C-N 3.33Å; R224-I226 PolarHBondContact O-N 2.97Å; R224-A227 PolarHBondContact O-N 2.93Å; R224-A228 WeakPolarHBondContact O-CB 3.28Å; R224-A228 PolarHBondContact O-N 3.12Å; R224-D317 WeakPolarHBondContact CG-OD1 3.43Å; R224-D317 VanDerWaalsContact CG-OD2 3.23Å; R224-D317 WeakPolarHBondContact CG-OD2 3.48Å; R224-D317 IonicContact CZ-OD2 3.37Å; R224-D317 IonicContact NE-OD2 3.89Å; R224-D317 PolarHBondContact NE-OD2 3.05Å; R224-D317 IonicContact NH2-OD2 3.37Å; R224-D317 PolarHBondContact NH2-OD2 3.19Å; R224-E319 IonicContact NH2-OE1 3.5Å; R224-E319 PolarHBondContact NH2-OE1 2.71Å
225A32.1Very low31.8Very low59 Ų5986.5 Ų86.549%0.48854%0.538SS..Hα-helixtrans-61.6-38.6175.500000113.3R221 A222 G223R221-A225 PolarHBondContact O-N 2.95Å; A222-A225 PolarHBondContact O-N 3.4Å; G223-A225 VanDerWaalsContact C-N 3.33Å; G223-A225 PolarHBondContact O-N 3.42Å
226I32.4Very low32Very low115 Ų11588.8 Ų88.859%0.5954%0.543SS*.Hα-helixtrans-73.3-39.3175.9-66.7165.5000110.6A222 G223 R224 G229A222-I226 WeakPolarHBondContact O-CG1 3.35Å; A222-I226 PolarHBondContact O-N 2.93Å; A222-I226 VanDerWaalsContact O-N 3.16Å; G223-I226 PolarHBondContact O-N 2.79Å; G223-I226 VanDerWaalsContact O-N 3.09Å; R224-I226 VanDerWaalsContact C-N 3.33Å; R224-I226 PolarHBondContact O-N 2.97Å; I226-G229 PolarHBondContact O-N 3.05Å
227A32.1Very low32.5Very low24 Ų2486.7 Ų86.720%0.19853%0.527CS..Hα-helixtrans-66.2-35.7-178.700000113.9G223 R224 G229 D315G223-A227 VanDerWaalsContact O-CB 3.3Å; G223-A227 WeakPolarHBondContact O-CB 3.4Å; G223-A227 PolarHBondContact O-N 2.96Å; R224-A227 PolarHBondContact O-N 2.93Å; A227-G229 PolarHBondContact O-N 3.35Å; A227-G229 VanDerWaalsContact O-N 3.13Å; A227-D315 WeakPolarHBondContact CB-OD1 3.35Å
228A31.3Very low32.7Very low31 Ų3187.3 Ų87.326%0.25653%0.527SS..THydrogen-bonded Turntrans-68.8-8.2-178.700000114.7R224 Q230 D315 R572R224-A228 WeakPolarHBondContact O-CB 3.28Å; R224-A228 PolarHBondContact O-N 3.12Å; A228-Q230 PolarHBondContact O-N 2.97Å; A228-D315 WeakPolarHBondContact CA-OD1 3.3Å; A228-D315 PolarHBondContact N-OD1 2.74Å; A228-D315 VanDerWaalsContact N-OD1 3.07Å; A228-R572 PolarHBondContact O-NH2 3.16Å; A228-R572 VanDerWaalsContact O-NH2 3.09Å
229G27.6Very low32.9Very low63 Ų6388.7 Ų88.765%0.64953%0.53SS*.THydrogen-bonded Turntrans72.922.4176.400000114.7I226 A227I226-G229 PolarHBondContact O-N 3.05Å; A227-G229 PolarHBondContact O-N 3.35Å; A227-G229 VanDerWaalsContact O-N 3.13Å
230Q33.1Very low33.4Very low136 Ų13685.6 Ų85.664%0.63651%0.514SS*.  trans-106.5140.2177.2-65.8-168.6-2400111A228A228-Q230 PolarHBondContact O-N 2.97Å
231G29.3Very low33.8Very low75 Ų7584 Ų8477%0.77351%0.513SS*.  trans116.188.6173.600000114.4
232S31.1Very low34.3Very low89 Ų8980.9 Ų80.962%0.62251%0.507SS*.  trans-58.8147.813440.60000108.5L234S232-L234 PolarHBondContact O-N 2.89Å
233G28.3Very low35.3Very low74 Ų7487.3 Ų87.376%0.76353%0.526SS*.SBendtrans-68122.5-175.900000112.5
234L35.1Very low36.2Very low123 Ų12390.7 Ų90.764%0.64454%0.535SS*.  trans172.4124.4148.1-94.8161.1000107.2S232 D238S232-L234 PolarHBondContact O-N 2.89Å; L234-D238 HydrophobicContact CD2-CB 4.21Å
235G33.8Very low37Very low31 Ų3187.5 Ų87.532%0.3253%0.528SS..  trans-84.5154.4-175.200000113K237 D238 I239G235-K237 PolarHBondContact O-N 3.35Å; G235-D238 VanDerWaalsContact CA-OD2 3.32Å; G235-D238 WeakPolarHBondContact CA-OD2 3.5Å; G235-D238 PolarHBondContact N-OD2 2.86Å; G235-D238 WeakPolarHBondContact O-CA 3.44Å; G235-D238 VanDerWaalsContact O-CB 3.32Å; G235-D238 WeakPolarHBondContact O-CB 3.37Å; G235-D238 PolarHBondContact O-N 3.33Å; G235-I239 PolarHBondContact O-N 2.86Å
236L34.3Very low37.9Very low121 Ų12187.5 Ų87.563%0.63453%0.527SS*.Hα-helixtrans-65-23.5175.7-157.374.2000112.6D238 I239 L240L236-D238 VanDerWaalsContact C-N 3.26Å; L236-D238 PolarHBondContact O-N 2.82Å; L236-I239 HydrophobicContact CD1-CD1 4.4Å; L236-I239 PolarHBondContact O-N 3.37Å; L236-L240 HydrophobicContact CD2-CD1 3.88Å; L236-L240 HydrophobicContact CG-CD1 3.83Å; L236-L240 HydrophobicContact CG-CG 4.24Å; L236-L240 WeakPolarHBondContact O-CB 3.29Å; L236-L240 PolarHBondContact O-N 3.23Å
237K41.9Very low38.8Very low100 Ų10085.5 Ų85.544%0.43551%0.514SS..Hα-helixtrans-60.8-37.3168.5179.6171.3-176.2-174.60111.7G235 I239 G241 E242 L245G235-K237 PolarHBondContact O-N 3.35Å; K237-I239 PolarHBondContact O-N 3.12Å; K237-G241 WeakPolarHBondContact O-CA 3.39Å; K237-G241 PolarHBondContact O-N 3.06Å; K237-E242 WeakPolarHBondContact CE-OE1 3.25Å; K237-E242 IonicContact NZ-OE1 2.93Å; K237-E242 PolarHBondContact NZ-OE1 3.33Å; K237-L245 HydrophobicContact CB-CD2 3.91Å; K237-L245 HydrophobicContact CD-CD2 3.88Å; K237-L245 HydrophobicContact CG-CD2 3.68Å
238D40.6Very low39.7Very low112 Ų11290.6 Ų90.660%0.59954%0.538SS*.Hα-helixtrans-78.2-13.4-177.2-41.4-35.6000111.6L234 G235 L236L234-D238 HydrophobicContact CD2-CB 4.21Å; G235-D238 VanDerWaalsContact CA-OD2 3.32Å; G235-D238 WeakPolarHBondContact CA-OD2 3.5Å; G235-D238 PolarHBondContact N-OD2 2.86Å; G235-D238 WeakPolarHBondContact O-CA 3.44Å; G235-D238 VanDerWaalsContact O-CB 3.32Å; G235-D238 WeakPolarHBondContact O-CB 3.37Å; G235-D238 PolarHBondContact O-N 3.33Å; L236-D238 VanDerWaalsContact C-N 3.26Å; L236-D238 PolarHBondContact O-N 2.82Å
239I37.2Very low40.7Very low120 Ų12094.9 Ų94.962%0.61556%0.56SS**Hα-helixtrans-97.9-42.3176.7-63.8172.6000111.6G235 L236 K237G235-I239 PolarHBondContact O-N 2.86Å; L236-I239 HydrophobicContact CD1-CD1 4.4Å; L236-I239 PolarHBondContact O-N 3.37Å; K237-I239 PolarHBondContact O-N 3.12Å
240L44.1Very low41.6Very low61 Ų6196 Ų9632%0.31956%0.564SS.*Hα-helixtrans-90.2-21.4-175.6-67.3174.8000114L236 M244L236-L240 HydrophobicContact CD2-CD1 3.88Å; L236-L240 HydrophobicContact CG-CD1 3.83Å; L236-L240 HydrophobicContact CG-CG 4.24Å; L236-L240 WeakPolarHBondContact O-CB 3.29Å; L236-L240 PolarHBondContact O-N 3.23Å; L240-M244 HydrophobicContact CB-CB 4.25Å; L240-M244 HydrophobicContact CD2-SD 4.26Å; L240-M244 WeakPolarHBondContact O-CB 3.33Å
241G39.5Very low41.8Very low33 Ų3393.2 Ų93.234%0.3457%0.571SS.*Hα-helixtrans68.5164.4-175.100000113.8K237 K243 L245K237-G241 WeakPolarHBondContact O-CA 3.39Å; K237-G241 PolarHBondContact O-N 3.06Å; G241-K243 VanDerWaalsContact C-N 3.33Å; G241-K243 PolarHBondContact O-N 2.94Å; G241-L245 WeakPolarHBondContact O-CB 3.5Å; G241-L245 PolarHBondContact O-N 2.91Å; G241-L245 VanDerWaalsContact O-N 3.16Å
242E44.5Very low42.2Very low133 Ų13391.3 Ų91.362%0.62155%0.551SS**Hα-helixtrans-67.9-28.7-168.2-58.4-160122.800113.9K237 A246K237-E242 WeakPolarHBondContact CE-OE1 3.25Å; K237-E242 IonicContact NZ-OE1 2.93Å; K237-E242 PolarHBondContact NZ-OE1 3.33Å; E242-A246 WeakPolarHBondContact O-CB 3.28Å; E242-A246 PolarHBondContact O-N 2.79Å
243K49.6Very low42.5Very low184 Ų18491.9 Ų91.980%0.856%0.555SS**Hα-helixtrans-73.8-37.7-178.6-71.3-176177.6178.60113.6G241 K247G241-K243 VanDerWaalsContact C-N 3.33Å; G241-K243 PolarHBondContact O-N 2.94Å; K243-K247 PolarHBondContact O-N 2.85Å
244M50Low43Very low97 Ų9793.2 Ų93.248%0.47854%0.544SS..Hα-helixtrans-72.1-42.3171.5-68.5-162.6167.100111L240 A246 K247 L248 L254L240-M244 HydrophobicContact CB-CB 4.25Å; L240-M244 HydrophobicContact CD2-SD 4.26Å; L240-M244 WeakPolarHBondContact O-CB 3.33Å; M244-A246 VanDerWaalsContact C-N 3.35Å; M244-A246 PolarHBondContact O-N 2.77Å; M244-K247 PolarHBondContact O-N 2.77Å; M244-L248 PolarHBondContact O-N 2.99Å; M244-L254 HydrophobicContact CB-CD1 4.32Å; M244-L254 HydrophobicContact CE-CD1 4.47Å; M244-L254 HydrophobicContact CG-CD1 3.73Å
245L49.2Very low43.2Very low57 Ų5792 Ų9230%0.29855%0.546SS..Hα-helixtrans-62.2-41.1178.2-170.364.2000112K237 G241 L248 V249K237-L245 HydrophobicContact CB-CD2 3.91Å; K237-L245 HydrophobicContact CD-CD2 3.88Å; K237-L245 HydrophobicContact CG-CD2 3.68Å; G241-L245 WeakPolarHBondContact O-CB 3.5Å; G241-L245 PolarHBondContact O-N 2.91Å; G241-L245 VanDerWaalsContact O-N 3.16Å; L245-L248 PolarHBondContact O-N 3.19Å; L245-V249 HydrophobicContact CD1-CG2 4.45Å; L245-V249 HydrophobicContact CG-CG2 4.46Å; L245-V249 WeakPolarHBondContact O-CB 3.32Å; L245-V249 VanDerWaalsContact O-CG2 3.25Å; L245-V249 WeakPolarHBondContact O-CG2 3.42Å; L245-V249 PolarHBondContact O-N 3.49Å
246A51.7Low43Very low58 Ų5893.7 Ų93.748%0.47956%0.564SS.*Hα-helixtrans-64.8-42.2177.500000112.7E242 M244 V249 A250E242-A246 WeakPolarHBondContact O-CB 3.28Å; E242-A246 PolarHBondContact O-N 2.79Å; M244-A246 VanDerWaalsContact C-N 3.35Å; M244-A246 PolarHBondContact O-N 2.77Å; A246-V249 PolarHBondContact O-N 2.99Å; A246-A250 VanDerWaalsContact O-CB 3.24Å; A246-A250 WeakPolarHBondContact O-CB 3.43Å; A246-A250 PolarHBondContact O-N 3.31Å
247K51.3Low42.9Very low73 Ų7393.3 Ų93.332%0.31757%0.571SS.*Hα-helixtrans-68.1-35.7175.7-81.4-116.5-167.7172.60112.3K243 M244 G251 G252 S253 L254 S255K243-K247 PolarHBondContact O-N 2.85Å; M244-K247 PolarHBondContact O-N 2.77Å; K247-G251 PolarHBondContact O-N 3.14Å; K247-G252 WeakPolarHBondContact CB-O 3.15Å; K247-G252 WeakPolarHBondContact CD-O 3.38Å; K247-G252 PolarHBondContact O-N 3.41Å; K247-S253 VanDerWaalsContact CD-O 3.28Å; K247-S253 WeakPolarHBondContact CD-O 3.47Å; K247-S253 PolarHBondContact NZ-O 2.86Å; K247-L254 HydrophobicContact CB-CD1 4.41Å; K247-L254 HydrophobicContact CB-CD2 4.33Å; K247-L254 HydrophobicContact CB-CG 3.92Å; K247-L254 HydrophobicContact CD-CD2 3.79Å; K247-L254 HydrophobicContact CD-CG 3.84Å; K247-L254 HydrophobicContact CG-CD2 3.76Å; K247-L254 HydrophobicContact CG-CG 3.86Å; K247-S255 PolarHBondContact NZ-O 3.33Å
248L49.5Very low42.5Very low132 Ų13298 Ų9869%0.69159%0.592SS**Hα-helixtrans-62.9-43.3169.5-105.878.6000112.8M244 L245M244-L248 PolarHBondContact O-N 2.99Å; L245-L248 PolarHBondContact O-N 3.19Å
249V52.1Low42Very low121 Ų12199.8 Ų99.873%0.73360%0.6SS**Hα-helixtrans-74.7-28.3-177.4169.20000112.5L245 A246L245-V249 HydrophobicContact CD1-CG2 4.45Å; L245-V249 HydrophobicContact CG-CG2 4.46Å; L245-V249 WeakPolarHBondContact O-CB 3.32Å; L245-V249 VanDerWaalsContact O-CG2 3.25Å; L245-V249 WeakPolarHBondContact O-CG2 3.42Å; L245-V249 PolarHBondContact O-N 3.49Å; A246-V249 PolarHBondContact O-N 2.99Å
250A47.2Very low41.7Very low87 Ų8799.9 Ų99.972%0.71960%0.602SS**THydrogen-bonded Turntrans-95.87.817900000114.4A246 G252A246-A250 VanDerWaalsContact O-CB 3.24Å; A246-A250 WeakPolarHBondContact O-CB 3.43Å; A246-A250 PolarHBondContact O-N 3.31Å; A250-G252 VanDerWaalsContact C-N 3.32Å; A250-G252 PolarHBondContact O-N 3.16Å
251G38Very low41.1Very low76 Ų76104.8 Ų104.878%0.78463%0.629SS**THydrogen-bonded Turntrans66.824.4177.700000115.3K247K247-G251 PolarHBondContact O-N 3.14Å
252G38.1Very low40.8Very low35 Ų35109.6 Ų109.636%0.36165%0.647SS.*  trans-112.5138.9-17200000114.4K247 A250K247-G252 WeakPolarHBondContact CB-O 3.15Å; K247-G252 WeakPolarHBondContact CD-O 3.38Å; K247-G252 PolarHBondContact O-N 3.41Å; A250-G252 VanDerWaalsContact C-N 3.32Å; A250-G252 PolarHBondContact O-N 3.16Å
253S35.6Very low40.3Very low102 Ų102114.4 Ų114.471%0.71366%0.661SS**  trans-76.3146.3175.4-174.90000113.1K247 S255K247-S253 VanDerWaalsContact CD-O 3.28Å; K247-S253 WeakPolarHBondContact CD-O 3.47Å; K247-S253 PolarHBondContact NZ-O 2.86Å; S253-S255 PolarHBondContact O-N 2.95Å; S253-S255 VanDerWaalsContact O-N 3.15Å
254L40.5Very low39.5Very low101 Ų101114.2 Ų114.253%0.52966%0.663SS.*SBendtrans-87.964.6-174.6-96.7174.3000114.3M244 K247M244-L254 HydrophobicContact CB-CD1 4.32Å; M244-L254 HydrophobicContact CE-CD1 4.47Å; M244-L254 HydrophobicContact CG-CD1 3.73Å; K247-L254 HydrophobicContact CB-CD1 4.41Å; K247-L254 HydrophobicContact CB-CD2 4.33Å; K247-L254 HydrophobicContact CB-CG 3.92Å; K247-L254 HydrophobicContact CD-CD2 3.79Å; K247-L254 HydrophobicContact CD-CG 3.84Å; K247-L254 HydrophobicContact CG-CD2 3.76Å; K247-L254 HydrophobicContact CG-CG 3.86Å
255S37.6Very low38.6Very low97 Ų97115 Ų11568%0.67867%0.673SS**  trans-108.1163.1164580000112.1K247 S253K247-S255 PolarHBondContact NZ-O 3.33Å; S253-S255 PolarHBondContact O-N 2.95Å; S253-S255 VanDerWaalsContact O-N 3.15Å
256G29.5Very low37.9Very low68 Ų68117.2 Ų117.270%0.70169%0.694SS**  trans121.182.4158.100000119.5
257S32.9Very low37.1Very low112 Ų112118.9 Ų118.978%0.78370%0.702SS**  trans39.1128.4137.2610000124.5
258K32.9Very low36.3Very low198 Ų198124.6 Ų124.686%0.86173%0.726SS**  trans52125136.2-63.6-174.8175.5-174.70120.9
259L32Very low35.7Very low150 Ų150124.5 Ų124.579%0.78573%0.731SS**  -168.9135.196.5-95170.8000111.4
260N29.8Very low34.9Very low123 Ų123126 Ų12666%0.65874%0.735SS**  trans25.1127.1153.9-53.813.8000121.3
261D32.3Very low34.3Very low163 Ų163125.6 Ų125.687%0.87274%0.739SS**  -145.6155.7100.9-94.7-28.7000108.5
262D32.1Very low34.2Very low134 Ų134128.9 Ų128.972%0.71774%0.744SS**  trans-82155.3-168-58.5-61000113.8
263Y34.5Very low34Very low235 Ų235131 Ų13192%0.92277%0.766SS**  179.5115.5127.2-89.1-58.3000110.5
264E31.7Very low33.8Very low180 Ų180132.1 Ų132.184%0.84177%0.773SS**  trans-68.8170.2164.9-46-171.8159.400110.8
265T31.4Very low33.5Very low114 Ų114130.8 Ų130.870%0.69979%0.785SS**  cis-160.117713.4-146.80000111.1
266S34.4Very low33.4Very low103 Ų103130.7 Ų130.772%0.7278%0.784SS**  trans71.4147.8167.375.90000118.8
267S34.8Very low33.7Very low93 Ų93134 Ų13465%0.6579%0.785SS**  cis-170139.8-19.352.10000113.5
268K35.5Very low34Very low192 Ų192135.3 Ų135.384%0.83578%0.783SS**  trans64162.4156-61.6172.3-179.1179.30115.9
269V37.2Very low34.2Very low130 Ų130133 Ų13379%0.78878%0.781SS**  cis-135.2167.59.9-141.20000111.4
270D34.4Very low34.3Very low152 Ų152133.3 Ų133.381%0.81378%0.778SS**  trans-72.9162.3-167.1-45.6-89.1000116.7
271G35.5Very low34.7Very low79 Ų79135.2 Ų135.281%0.81478%0.783SS**  trans-175.661.7177.600000114.3
272V34.6Very low34.8Very low146 Ų146131.6 Ų131.689%0.88577%0.77SS**  trans-81.5137.9-173.71790000112.7
273G35.1Very low34.7Very low80 Ų80132.7 Ų132.783%0.82578%0.776SS**  trans-164.686.7170.300000111.8
274S32Very low34.6Very low124 Ų124130 Ų13087%0.86777%0.772SS**  trans-97.6152.6-179.1-164.80000112.1
275G34.2Very low34.5Very low74 Ų74125.9 Ų125.976%0.76376%0.763SS**  trans-172.2106.9175.600000109.8
276S34.2Very low34.6Very low94 Ų94127 Ų12766%0.65777%0.765SS**  trans-79.9174.9175.346.60000111.8
277D36.5Very low34.5Very low138 Ų138129.2 Ų129.274%0.73877%0.769SS**  159.799.9122.9-74.2-1.8000108.4
278D38.7Very low34.4Very low139 Ų139132.6 Ų132.674%0.74378%0.78SS**  22.6140.8122.5-40.9-24.2000116.9
279D36.5Very low34.2Very low150 Ų150129.1 Ų129.180%0.80277%0.77SS**  cis-142-160.725.6-99.5-49.1000110.5
280E35.5Very low33.9Very low157 Ų157130.6 Ų130.673%0.73477%0.773SS**  cis-156.8-159.114.9-146.4-129.585.600112.4
281H36.7Very low33.6Very low162 Ų162127.7 Ų127.775%0.7577%0.765SS**  trans-94.7-171.4-177.9-58.6-87.4000113.3
282S34.4Very low33.5Very low88 Ų88131.6 Ų131.662%0.61577%0.767SS**  cis-159.9147.35.250.80000111.3
283D31.4Very low33.3Very low156 Ų156131.1 Ų131.183%0.83476%0.759SS**  trans44.1163.8139.5-42-34000121
284E32.4Very low33Very low178 Ų178134.6 Ų134.683%0.83276%0.759SS**  cis-135144.27.8-64.2166.8145.800106.4
285S30.1Very low32.9Very low95 Ų95135.6 Ų135.666%0.66475%0.754SS**  82.1158.656.392.20000116.2
286D32.7Very low32.8Very low137 Ų137137.5 Ų137.573%0.73375%0.753SS**  trans73133.2169.6-47.78.6000116.8
287D33.2Very low32.7Very low149 Ų149141.1 Ų141.180%0.79776%0.76SS**  cis-155.3162.8-2.3-98.7-25.1000110.8
288D31.4Very low32.4Very low165 Ų165143.3 Ų143.388%0.88276%0.763SS**  trans-121.3171.1176.4-77-57.5000110.7
289D30.7Very low32.1Very low118 Ų118140.5 Ų140.563%0.63176%0.759SS**  cis-122.5-91.16.7174.119.5000111.5S291D289-S291 VanDerWaalsContact OD2-CB 3.26Å; D289-S291 WeakPolarHBondContact OD2-CB 3.46Å; D289-S291 PolarHBondContact OD2-N 3.18Å; D289-S291 PolarHBondContact OD2-OG 2.88Å
290D32.1Very low31.7Very low161 Ų161141.3 Ų141.386%0.86176%0.763SS**  cis-106.5131-10.3-96.6-47.2000110.2
291S28.1Very low31.4Very low92 Ų92137.7 Ų137.764%0.64377%0.768SS**  trans-102.2115.1167.752.80000110.8D289D289-S291 VanDerWaalsContact OD2-CB 3.26Å; D289-S291 WeakPolarHBondContact OD2-CB 3.46Å; D289-S291 PolarHBondContact OD2-N 3.18Å; D289-S291 PolarHBondContact OD2-OG 2.88Å
292D33.1Very low30.8Very low160 Ų160135.5 Ų135.586%0.85677%0.77SS**  trans-126.9146.5175.4-153.3-2.4000112.9
293L30.9Very low30.5Very low137 Ų137139.3 Ų139.372%0.71778%0.783SS**  trans-128.5147.2-161-72.2167.4000112
294N29.2Very low30.2Very low153 Ų153139.7 Ų139.782%0.81878%0.784SS**  trans71.2158.2174.8-38.2-75000112.7
295N28.6Very low30Very low144 Ų144136.6 Ų136.677%0.7778%0.782SS**  cis-154.9134.621.6-167.69.3000109.4
296P33.1Very low29.8Very low114 Ų114140.3 Ų140.374%0.7480%0.795SS**  trans-89.8135-170.633-34.5000114.1
297Q31.7Very low29.6Very low170 Ų170137 Ų13779%0.79479%0.793SS**  trans-151120163.8-113.4177.148.700116.3
298K30.3Very low29.3Very low185 Ų185137.5 Ų137.580%0.80480%0.795SS**  trans57.9107.9138.3-74178.3178177.50121.8
299A31Very low29.1Very low80 Ų80132.9 Ų132.966%0.66178%0.776SS**  108.8121.8100.800000120.7
300N28.6Very low29Very low167 Ų167130.6 Ų130.689%0.89377%0.769SS**  trans60.5114.2135.3-57.73.5000120.4
301G29.7Very low28.8Very low80 Ų80125.9 Ų125.983%0.82575%0.749SS**  trans-17653.8170.600000113.7
302C23.6Very low28.9Very low117 Ų117127.2 Ų127.279%0.79175%0.749SS**  trans-72141.1-176.4-60.90000113.3
303N28.7Very low28.7Very low168 Ų168130.1 Ų130.190%0.89875%0.75SS**  trans-154.9140.3140-102-37.4000109.8
304L25.4Very low28.7Very low164 Ų164132.5 Ų132.586%0.85975%0.75SS**  trans-96.5142.5-172.6-65.285000111.7
305S28.6Very low28.5Very low113 Ų113128.1 Ų128.179%0.7973%0.727SS**  trans-153.2126.615369.50000109.9G307S305-G307 PolarHBondContact O-N 3.12Å
306D26.2Very low28.4Very low173 Ų173125.5 Ų125.593%0.92572%0.72SS**  trans-62.6129.3-174.4-65.2-77.8000113.6
307G27Very low28.2Very low67 Ų67122 Ų12269%0.69170%0.695SS**  trans-153.940.4-175.200000113.1S305 S309S305-G307 PolarHBondContact O-N 3.12Å; G307-S309 PolarHBondContact O-N 3.29Å
308N27.7Very low28Very low159 Ų159121.4 Ų121.485%0.8570%0.696SS**  trans-68.393.5-170.2-162.80.8000112.6
309S26.9Very low28Very low69 Ų69117.4 Ų117.448%0.48368%0.681SS.*  trans-11278.6177.7178.90000109G307 S311G307-S309 PolarHBondContact O-N 3.29Å; S309-S311 PolarHBondContact O-N 3.02Å
310S28.9Very low27.8Very low69 Ų69118.3 Ų118.348%0.48368%0.678SS.*  trans-74.784.8-176.8175.80000112.2D312S310-D312 PolarHBondContact O-N 3.46Å
311S27Very low27.7Very low62 Ų62117.6 Ų117.643%0.43467%0.674SS.*  trans-88.930.9165.233.80000112.5E27 S309E27-S311 WeakPolarHBondContact OE1-CB 3.19Å; E27-S311 PolarHBondContact OE1-OG 3.23Å; S309-S311 PolarHBondContact O-N 3.02Å
312D30.4Very low27.6Very low121 Ų121118.3 Ų118.365%0.64767%0.666SS**  trans-99157.5-172.7-88.7-60.6000115.6S310 Y314S310-D312 PolarHBondContact O-N 3.46Å; D312-Y314 PolarHBondContact O-N 2.78Å
313Y28.7Very low27.6Very low221 Ų221117.7 Ų117.787%0.86766%0.663SS**  trans-66.4115.8-178.7-74.7-115.5000111.5
314Y30.5Very low27.6Very low186 Ų186116.2 Ų116.273%0.72966%0.655SS**  trans-10983.3162.8-80.9-77.3000111.6D312D312-Y314 PolarHBondContact O-N 2.78Å
315D26.7Very low27.6Very low61 Ų61116.6 Ų116.633%0.32666%0.658SS.*  trans-65.4153.9133.9-159.5-0000108.7A227 A228 D317A227-D315 WeakPolarHBondContact CB-OD1 3.35Å; A228-D315 WeakPolarHBondContact CA-OD1 3.3Å; A228-D315 PolarHBondContact N-OD1 2.74Å; A228-D315 VanDerWaalsContact N-OD1 3.07Å; D315-D317 VanDerWaalsContact C-N 3.31Å; D315-D317 PolarHBondContact O-N 3.15Å
316S26.3Very low27.7Very low90 Ų90116 Ų11663%0.62965%0.654SS**SBendtrans-79.955.7-161.8-460000115.7
317D28.8Very low27.7Very low39 Ų39112.9 Ų112.921%0.20965%0.646CS.*  trans-85.4114.1178.4-92.4-2.5000113.7R224 D315 E319R224-D317 WeakPolarHBondContact CG-OD1 3.43Å; R224-D317 VanDerWaalsContact CG-OD2 3.23Å; R224-D317 WeakPolarHBondContact CG-OD2 3.48Å; R224-D317 IonicContact CZ-OD2 3.37Å; R224-D317 IonicContact NE-OD2 3.89Å; R224-D317 PolarHBondContact NE-OD2 3.05Å; R224-D317 IonicContact NH2-OD2 3.37Å; R224-D317 PolarHBondContact NH2-OD2 3.19Å; D315-D317 VanDerWaalsContact C-N 3.31Å; D315-D317 PolarHBondContact O-N 3.15Å; D317-E319 VanDerWaalsContact C-N 3.25Å; D317-E319 HydrophobicContact CB-CG 4.33Å; D317-E319 PolarHBondContact O-N 3.19Å
318L27.9Very low27.8Very low158 Ų158121.7 Ų121.783%0.82766%0.658SS**  trans-8363163.4-75.7169.3000110.7V320L318-V320 PolarHBondContact O-N 2.88Å; L318-V320 VanDerWaalsContact O-N 3.15Å
319E28.6Very low27.8Very low102 Ų102121.3 Ų121.348%0.47766%0.656SS.*  trans-76.998.6172.1-76.7-169.6-162.500110.7N220 R224 D317N220-E319 VanDerWaalsContact ND2-CD 3.31Å; N220-E319 PolarHBondContact ND2-OE1 3.45Å; R224-E319 IonicContact NH2-OE1 3.5Å; R224-E319 PolarHBondContact NH2-OE1 2.71Å; D317-E319 VanDerWaalsContact C-N 3.25Å; D317-E319 HydrophobicContact CB-CG 4.33Å; D317-E319 PolarHBondContact O-N 3.19Å
320V28.5Very low27.9Very low99 Ų99129.7 Ų129.760%0.668%0.677SS**  trans-74.6122165.8177.60000108.4L318 S322L318-V320 PolarHBondContact O-N 2.88Å; L318-V320 VanDerWaalsContact O-N 3.15Å; V320-S322 PolarHBondContact O-N 3.43Å
321N25.1Very low27.9Very low152 Ų152131.4 Ų131.481%0.81369%0.689SS**  trans-58104.5171.3-83.5-4.3000110.6
322S27.6Very low28.1Very low94 Ų94138.4 Ų138.466%0.65771%0.712SS**  trans-97.690.9165.7-67.80000109.7V320 N324V320-S322 PolarHBondContact O-N 3.43Å; S322-N324 PolarHBondContact O-N 3.19Å
323S24.8Very low28.1Very low105 Ų105142.1 Ų142.173%0.73472%0.722SS**  trans-61.799.8166.9-62.40000109.3
324N28.8Very low28.3Very low137 Ų137135.4 Ų135.473%0.73371%0.708SS**  trans-12670.7-176.4-139.6-30.1000111.8S322 S326S322-N324 PolarHBondContact O-N 3.19Å; N324-S326 VanDerWaalsContact C-N 3.25Å; N324-S326 PolarHBondContact O-N 3.17Å
325N24.4Very low28.4Very low172 Ų172135 Ų13592%0.9271%0.712SS**  trans-80.566.9-175.2-161.712.9000111.2
326S30.8Very low28.7Very low101 Ų101136.7 Ų136.771%0.70673%0.729SS**  trans-83.5129.8-17657.80000112.8N324N324-S326 VanDerWaalsContact C-N 3.25Å; N324-S326 PolarHBondContact O-N 3.17Å
327S25.7Very low29.1Very low107 Ų107137.5 Ų137.575%0.74873%0.734SS**  trans-68.3139.7-171.159.50000114.4
328R30.5Very low29.3Very low251 Ų251144.4 Ų144.495%0.94776%0.763SS**  trans-137.4122.9152.4-106.8175.9179.9172.41.3112.5
329N26.1Very low29.4Very low151 Ų151145.9 Ų145.981%0.80776%0.762SS**  trans-68.1142.9-174.9-68.5-51.6000113.6
330R30.5Very low29.6Very low245 Ų245149.7 Ų149.793%0.92578%0.78SS**  trans-162.589.8137.6-110.4163.8-173.5-169.81114.1
331S28Very low29.8Very low105 Ų105150.2 Ų150.273%0.73479%0.788SS**  trans-8.9133.8155.556.70000120.1
332K31.9Very low30.3Very low209 Ų209151.6 Ų151.691%0.90979%0.79SS**  -165.9158.9123-106.2164.5-175.6179.70113.5
333K30.2Very low30.5Very low200 Ų200152.6 Ų152.687%0.8780%0.797SS**  trans-47.3164.7177.7-79-179.4173.2-173.90116.5
334S33.4Very low30.9Very low80 Ų80150.7 Ų150.756%0.55979%0.793SS**  cis-167.8164-8.947.50000112.8
335E32.4Very low31Very low177 Ų177154.6 Ų154.683%0.82780%0.804SS**  trans62.3151152.9-70.5155130.800121
336S33.4Very low31.3Very low97 Ų97158.5 Ų158.568%0.67881%0.806SS**  cis-165161.9-2666.40000112.6
337S33.8Very low31.1Very low106 Ų106163.2 Ų163.274%0.74181%0.813SS**  trans68.4150152.2-77.60000122.2
338K32.5Very low31.4Very low185 Ų185167.8 Ų167.880%0.80482%0.823SS**  cis-172.7159.4-27-140168.5-175.3172.70112.6
339K31.2Very low31.3Very low188 Ų188163.8 Ų163.882%0.81781%0.813SS**  trans77.8140169.8-52.7174.1-179.5178.60117.2
340Q31.6Very low31.5Very low183 Ų183165.4 Ų165.486%0.85581%0.809SS**  cis102.1114.61.5-65.7-171.2-35.700121.1
341S33.7Very low31.4Very low110 Ų110159.3 Ų159.377%0.76979%0.794SS**  trans174.3124.9140.953.30000110.1
342H35Very low31.4Very low181 Ų181162.6 Ų162.684%0.83880%0.798SS**  57.1142.969.6-71-53.9000115.6
343S31.8Very low31.2Very low115 Ų115159.3 Ų159.380%0.80480%0.795SS**  cis-173.7175.1-14.964.40000108.7
344G32.5Very low31.1Very low65 Ų65153.6 Ų153.667%0.6779%0.793SS**  cis155.3158.2-400000113.3
345K31.8Very low30.8Very low218 Ų218153.6 Ų153.695%0.94881%0.806SS**  trans79.5129.1170-53.9169.8178.4171.80121
346R29.7Very low30.4Very low254 Ų254150.9 Ų150.996%0.95881%0.806SS**  -169.1158.9109.1-162.4160.5-179.7161.5-1.5111.4
347K28.3Very low30.4Very low200 Ų200151.6 Ų151.687%0.8781%0.809SS**  trans-114.7150.2-178.1-70.7-179.3174.7179.90112.9
348Q31.4Very low30Very low203 Ų203151 Ų15195%0.94981%0.805SS**  trans-151.5171.7144-123.9170.2-5.800110.5
349K28.7Very low29.6Very low168 Ų168147.4 Ų147.473%0.7380%0.802SS**  trans-153.4125.3-157.5173.8-165177.6-172.20111.5
350Y29.1Very low29.4Very low185 Ų185145.9 Ų145.973%0.72580%0.802SS**  -177.9138.3127.4-118.1-97.4000114.1
351N28Very low29.1Very low117 Ų117142.6 Ų142.663%0.62680%0.799SS**  trans21.8130.2157.8-66.311.8000125
352Q29.7Very low28.9Very low174 Ų174145 Ų14581%0.81380%0.803SS**  114.5129.1118.2-99-177.520.200121.1
353V26.9Very low28.5Very low139 Ų139144.1 Ų144.184%0.84280%0.804SS**  trans63.6110.7160.9-171.70000118.7
354G28.4Very low28.5Very low80 Ų80143.3 Ų143.383%0.82580%0.799SS**  trans111.4116.7143.300000117.3
355G26.9Very low28.3Very low81 Ų81147.9 Ų147.984%0.83581%0.808SS**  trans109.8132.4155.100000117.5
356S25Very low28.3Very low119 Ų119145.9 Ų145.983%0.83280%0.802SS**  trans-60171.2162-41.30000111.7
357P32.1Very low28.6Very low113 Ų113141.5 Ų141.573%0.73480%0.798SS**  cis-149.8-167.525.342.3-19.5000118.1
358S26.3Very low29Very low94 Ų94140.2 Ų140.266%0.65779%0.787SS**  trans72.3106.3145.763.60000121.3
359C23.6Very low29.7Very low109 Ų109134.6 Ų134.674%0.73676%0.764SS**  90.3146.4115.380.30000122.6
360L26.9Very low30.4Very low156 Ų156129.1 Ų129.182%0.81775%0.745SS**  trans88.1122163.9-53.3-176.8000119.4
361S25.9Very low31Very low113 Ų113123.2 Ų123.279%0.7973%0.726SS**  trans46.2115.4152.159.30000120.1
362D29.1Very low31.9Very low160 Ų160119.3 Ų119.386%0.85671%0.711SS**  -148.2157.698.1-132.2-26000111.1
363D26.5Very low32.8Very low163 Ų163113.2 Ų113.287%0.87268%0.683SS**  trans-103.4116.4177.3-81.7-51.6000110.3
364S31.9Very low33.4Very low99 Ų99108.5 Ų108.569%0.69265%0.651SS**  trans-151.2119164.948.90000110.5
365D27.9Very low34.1Very low160 Ų160109.1 Ų109.186%0.85664%0.636SS**  trans-75.9118.6168.7-69.2-68.1000108.6
366E32Very low35Very low177 Ų177107 Ų10783%0.82761%0.608SS**  trans-119150.2170.9-73.1-164.7154.200111.1
367D35.9Very low35.6Very low162 Ų162103.2 Ų103.287%0.86658%0.577SS**  trans-74159-154.8-82.5-60.9000117.3D369D367-D369 PolarHBondContact O-N 2.93Å
368W37.3Very low36Very low173 Ų173101.4 Ų101.466%0.65556%0.56SS**  trans-77.898.7165.6-75.681.4000110.1P370W368-P370 WeakPolarHBondContact O-CD 3.19Å
369D46.6Very low36.8Very low85 Ų8599.7 Ų99.746%0.45555%0.552SS.*  trans-95.2107.3171.21800.1000111D367 D371 A372D367-D369 PolarHBondContact O-N 2.93Å; D369-D371 VanDerWaalsContact C-N 3.31Å; D369-D371 WeakPolarHBondContact OD1-CA 3.4Å; D369-D371 WeakPolarHBondContact OD1-CB 3.38Å; D369-D371 PolarHBondContact OD1-N 3.07Å; D369-A372 HydrophobicContact CB-CB 4.29Å; D369-A372 PolarHBondContact OD1-N 2.63Å; D369-A372 WeakPolarHBondContact OD2-CB 3.34Å; D369-A372 PolarHBondContact OD2-N 3.33Å
370P41.7Very low37.5Very low52 Ų52100.9 Ų100.934%0.33854%0.541SS..SBendtrans-73.6-22.2173.1-1331.3000113.2W368 L373 F374W368-P370 WeakPolarHBondContact O-CD 3.19Å; P370-L373 WeakPolarHBondContact O-CB 3.43Å; P370-L373 PolarHBondContact O-N 3.33Å; P370-F374 PolarHBondContact O-N 2.89Å
371D43.5Very low37.9Very low61 Ų6196.8 Ų96.833%0.32652%0.52SS..Hα-helixtrans-80.4-40.3-171.5-60.3-14.6000109.5R99 D369 L373 F374 D375R99-D371 HydrophobicContact CG-CB 4.47Å; R99-D371 WeakPolarHBondContact CG-OD1 3.47Å; D369-D371 VanDerWaalsContact C-N 3.31Å; D369-D371 WeakPolarHBondContact OD1-CA 3.4Å; D369-D371 WeakPolarHBondContact OD1-CB 3.38Å; D369-D371 PolarHBondContact OD1-N 3.07Å; D371-L373 PolarHBondContact O-N 3.48Å; D371-L373 VanDerWaalsContact O-N 3.15Å; D371-F374 CarbonylContact O-C 3.47Å; D371-F374 WeakPolarHBondContact O-CA 3.21Å; D371-F374 WeakPolarHBondContact O-CB 3.11Å; D371-F374 PolarHBondContact O-N 2.86Å; D371-D375 WeakPolarHBondContact O-CB 3.43Å; D371-D375 PolarHBondContact O-N 3.3Å
372A46.2Very low38.3Very low36 Ų3695.9 Ų95.930%0.29851%0.505SS..Hα-helixtrans-59.3-22.9165.300000113.7D369 S376D369-A372 HydrophobicContact CB-CB 4.29Å; D369-A372 PolarHBondContact OD1-N 2.63Å; D369-A372 WeakPolarHBondContact OD2-CB 3.34Å; D369-A372 PolarHBondContact OD2-N 3.33Å; A372-S376 WeakPolarHBondContact O-CB 3.3Å; A372-S376 PolarHBondContact O-N 3.36Å
373L47.8Very low38.5Very low46 Ų4692.6 Ų92.624%0.24149%0.49CS..Hα-helixtrans-78.8-36.3171.8-57.6176.3000111.7P370 D371 F377P370-L373 WeakPolarHBondContact O-CB 3.43Å; P370-L373 PolarHBondContact O-N 3.33Å; D371-L373 PolarHBondContact O-N 3.48Å; D371-L373 VanDerWaalsContact O-N 3.15Å; L373-F377 PolarHBondContact O-N 3.1Å
374F40.4Very low38.7Very low39 Ų3990.8 Ų90.817%0.17148%0.48CS..Hα-helixtrans-70.6-46.9176-173.8-109.4000112E96 P370 D371 S376 F377 L378E96-F374 HydrophobicContact CB-CZ 4.35Å; E96-F374 VanDerWaalsContact OE2-CE1 3.23Å; E96-F374 WeakPolarHBondContact OE2-CE1 3.43Å; E96-F374 WeakPolarHBondContact OE2-CZ 3.18Å; P370-F374 PolarHBondContact O-N 2.89Å; D371-F374 CarbonylContact O-C 3.47Å; D371-F374 WeakPolarHBondContact O-CA 3.21Å; D371-F374 WeakPolarHBondContact O-CB 3.11Å; D371-F374 PolarHBondContact O-N 2.86Å; F374-S376 VanDerWaalsContact C-N 3.3Å; F374-S376 PolarHBondContact O-N 3.45Å; F374-F377 WeakPolarHBondContact O-CA 3.42Å; F374-F377 WeakPolarHBondContact O-CB 3.4Å; F374-F377 PolarHBondContact O-N 2.93Å; F374-L378 HydrophobicContact CD1-CD1 3.91Å; F374-L378 HydrophobicContact CD1-CG 4.41Å; F374-L378 HydrophobicContact CE1-CD1 3.57Å; F374-L378 HydrophobicContact CE1-CG 4.23Å; F374-L378 HydrophobicContact CZ-CD1 4.16Å; F374-L378 HydrophobicContact CZ-CG 4.46Å; F374-L378 PolarHBondContact O-N 2.67Å
375D42Very low38.7Very low93 Ų9389.9 Ų89.950%0.49747%0.474SS..Hα-helixtrans-61.6-38174.3-77.6-9.7000111.6D371 F377 L378 A379D371-D375 WeakPolarHBondContact O-CB 3.43Å; D371-D375 PolarHBondContact O-N 3.3Å; D375-F377 VanDerWaalsContact C-N 3.25Å; D375-F377 PolarHBondContact O-N 3.07Å; D375-L378 PolarHBondContact O-N 3.09Å; D375-A379 WeakPolarHBondContact O-CB 3.44Å; D375-A379 PolarHBondContact O-N 3.32Å
376S46.2Very low38.7Very low36 Ų3688.5 Ų88.525%0.25247%0.467SS..Hα-helixtrans-66.4-26.3174.1-163.70000113.2A372 F374 R380A372-S376 WeakPolarHBondContact O-CB 3.3Å; A372-S376 PolarHBondContact O-N 3.36Å; F374-S376 VanDerWaalsContact C-N 3.3Å; F374-S376 PolarHBondContact O-N 3.45Å; S376-R380 WeakPolarHBondContact O-CB 3.3Å; S376-R380 WeakPolarHBondContact O-CD 3.25Å; S376-R380 VanDerWaalsContact O-CG 3.24Å; S376-R380 WeakPolarHBondContact O-CG 3.45Å; S376-R380 PolarHBondContact O-N 3.27Å; S376-R380 PolarHBondContact OG-NH1 3.13Å
377F38.8Very low38.6Very low41 Ų4184.5 Ų84.518%0.1846%0.458CS..Hα-helixtrans-78.5-45.3172.7171.3-97.1000111.6L373 F374 D375 R380 N381 Q695L373-F377 PolarHBondContact O-N 3.1Å; F374-F377 WeakPolarHBondContact O-CA 3.42Å; F374-F377 WeakPolarHBondContact O-CB 3.4Å; F374-F377 PolarHBondContact O-N 2.93Å; D375-F377 VanDerWaalsContact C-N 3.25Å; D375-F377 PolarHBondContact O-N 3.07Å; F377-R380 PolarHBondContact O-N 3.2Å; F377-N381 WeakPolarHBondContact CE2-ND2 3.48Å; F377-N381 WeakPolarHBondContact CZ-ND2 3.19Å; F377-N381 PolarHBondContact O-N 2.85Å; F377-N381 VanDerWaalsContact O-N 3.12Å; F377-N381 PolarHBondContact O-ND2 3.01Å; F377-Q695 HydrophobicContact CD2-CB 4.35Å; F377-Q695 HydrophobicContact CE2-CB 4.11Å
378L40Very low38.3Very low74 Ų7481.6 Ų81.639%0.38745%0.446SS..Hα-helixtrans-61.6-49.4176-70-179.1000111.8F374 D375 R380 N381 M382F374-L378 HydrophobicContact CD1-CD1 3.91Å; F374-L378 HydrophobicContact CD1-CG 4.41Å; F374-L378 HydrophobicContact CE1-CD1 3.57Å; F374-L378 HydrophobicContact CE1-CG 4.23Å; F374-L378 HydrophobicContact CZ-CD1 4.16Å; F374-L378 HydrophobicContact CZ-CG 4.46Å; F374-L378 PolarHBondContact O-N 2.67Å; D375-L378 PolarHBondContact O-N 3.09Å; L378-R380 VanDerWaalsContact C-N 3.31Å; L378-R380 PolarHBondContact O-N 3.2Å; L378-N381 PolarHBondContact O-N 3.42Å; L378-M382 WeakPolarHBondContact O-CB 3.32Å; L378-M382 WeakPolarHBondContact O-CG 3.12Å; L378-M382 PolarHBondContact O-N 3.14Å
379A41.8Very low38Very low59 Ų5978.9 Ų78.949%0.48845%0.449SS..Hα-helixtrans-58.8-41.5179.600000112.2D375 M382 T383D375-A379 WeakPolarHBondContact O-CB 3.44Å; D375-A379 PolarHBondContact O-N 3.32Å; A379-M382 PolarHBondContact O-N 2.91Å; A379-T383 WeakPolarHBondContact O-CG2 3.45Å; A379-T383 PolarHBondContact O-N 3.18Å; A379-T383 VanDerWaalsContact O-N 3.08Å; A379-T383 PolarHBondContact O-OG1 2.69Å
380R39.5Very low37.1Very low133 Ų13382.8 Ų82.850%0.50247%0.47SS..Hα-helixtrans-69.8-37.8179.7-76.8176.3167.5136-8.4113S376 F377 L378 T383 L384S376-R380 WeakPolarHBondContact O-CB 3.3Å; S376-R380 WeakPolarHBondContact O-CD 3.25Å; S376-R380 VanDerWaalsContact O-CG 3.24Å; S376-R380 WeakPolarHBondContact O-CG 3.45Å; S376-R380 PolarHBondContact O-N 3.27Å; S376-R380 PolarHBondContact OG-NH1 3.13Å; F377-R380 PolarHBondContact O-N 3.2Å; L378-R380 VanDerWaalsContact C-N 3.31Å; L378-R380 PolarHBondContact O-N 3.2Å; R380-T383 WeakPolarHBondContact CA-OG1 3.43Å; R380-T383 PolarHBondContact O-N 3.34Å; R380-T383 PolarHBondContact O-OG1 2.9Å; R380-L384 WeakPolarHBondContact O-CD1 3.24Å
381N34.9Very low36.6Very low71 Ų7184 Ų8438%0.3848%0.479SS..Hα-helixtrans-71.5-38.1174.8-72.1-39.2000112F377 L378 T383 L384F377-N381 WeakPolarHBondContact CE2-ND2 3.48Å; F377-N381 WeakPolarHBondContact CZ-ND2 3.19Å; F377-N381 PolarHBondContact O-N 2.85Å; F377-N381 VanDerWaalsContact O-N 3.12Å; F377-N381 PolarHBondContact O-ND2 3.01Å; L378-N381 PolarHBondContact O-N 3.42Å; N381-T383 PolarHBondContact O-N 3.16Å; N381-L384 PolarHBondContact O-N 3.35Å
382M33.5Very low36.1Very low93 Ų9385.7 Ų85.746%0.45849%0.488SS..Hα-helixtrans-64.1-23.3172.7-75-72.4-177.400113.5L378 A379 S385 N386L378-M382 WeakPolarHBondContact O-CB 3.32Å; L378-M382 WeakPolarHBondContact O-CG 3.12Å; L378-M382 PolarHBondContact O-N 3.14Å; A379-M382 PolarHBondContact O-N 2.91Å; M382-S385 PolarHBondContact O-OG 2.89Å; M382-S385 VanDerWaalsContact O-OG 3.1Å; M382-N386 PolarHBondContact O-ND2 2.95Å
383T34.4Very low35.4Very low91 Ų9187.7 Ų87.756%0.55849%0.494SS*.Hα-helixtrans-77-21.5174.944.60000114.7A379 R380 N381A379-T383 WeakPolarHBondContact O-CG2 3.45Å; A379-T383 PolarHBondContact O-N 3.18Å; A379-T383 VanDerWaalsContact O-N 3.08Å; A379-T383 PolarHBondContact O-OG1 2.69Å; R380-T383 WeakPolarHBondContact CA-OG1 3.43Å; R380-T383 PolarHBondContact O-N 3.34Å; R380-T383 PolarHBondContact O-OG1 2.9Å; N381-T383 PolarHBondContact O-N 3.16Å
384L31.4Very low34.6Very low125 Ų12591.7 Ų91.765%0.65452%0.52SS*.Hα-helixtrans-80.4-23.9178-93.171.2000113.2R380 N381 N386R380-L384 WeakPolarHBondContact O-CD1 3.24Å; N381-L384 PolarHBondContact O-N 3.35Å; L384-N386 VanDerWaalsContact C-N 3.34Å
385S30.4Very low34Very low81 Ų8198.4 Ų98.457%0.56655%0.549SS*.THydrogen-bonded Turntrans-82.4-6.918050.60000114.6M382M382-S385 PolarHBondContact O-OG 2.89Å; M382-S385 VanDerWaalsContact O-OG 3.1Å
386N29.6Very low33.5Very low131 Ų131101 Ų10170%0.70155%0.552SS**THydrogen-bonded Turntrans-106.89.8-172.6-78.3-59.6000114.3M382 L384M382-N386 PolarHBondContact O-ND2 2.95Å; L384-N386 VanDerWaalsContact C-N 3.34Å
387S29.1Very low32.7Very low93 Ų93106.6 Ų106.665%0.6557%0.572SS**SBendtrans-119.934.2-173.265.20000115.1
388T29.2Very low32.2Very low101 Ų101109 Ų10962%0.6259%0.587SS**SBendtrans-147.3150.1167.1-2.40000110.9
389T32.3Very low31.7Very low115 Ų115113 Ų11371%0.70661%0.609SS**  trans-74.5138.7-169.743.20000114.1S391T389-S391 PolarHBondContact O-N 2.88Å
390N26.6Very low31.3Very low167 Ų167114 Ų11489%0.89361%0.611SS**THydrogen-bonded Turntrans-70.887.6-179.7-78.6-45.5000113.2
391S32.1Very low30.9Very low77 Ų77112.3 Ų112.354%0.53861%0.608SS.*THydrogen-bonded Turntrans-155-47.9164.747.70000113.5T389T389-S391 PolarHBondContact O-N 2.88Å
392D31.1Very low31Very low97 Ų97117.7 Ų117.752%0.51963%0.63SS.*SBendtrans-104.7-6-161.1-68.4-84.8000116R396D392-R396 WeakPolarHBondContact O-CG 3.27Å
393I32.9Very low31.2Very low79 Ų79121.4 Ų121.441%0.40564%0.644SS.*G310 helixtrans-76-33.3-174.3-62.2176.2000111.7K395 R396 F397I393-K395 PolarHBondContact O-N 3.11Å; I393-K395 VanDerWaalsContact O-N 3.15Å; I393-R396 PolarHBondContact O-N 3.28Å; I393-R396 VanDerWaalsContact O-N 3.14Å; I393-F397 HydrophobicContact CG2-CD2 4.15Å; I393-F397 HydrophobicContact CG2-CE2 3.94Å
394T29.7Very low31.4Very low129 Ų129118.8 Ų118.879%0.79164%0.636SS**G310 helixtrans-70.5-8.3-174.949.50000115.1
395K29.4Very low31.9Very low180 Ų180116.4 Ų116.478%0.78362%0.624SS**G310 helixtrans-103-14.3171.5-78.5-174.5173.4-179.20114.4I393I393-K395 PolarHBondContact O-N 3.11Å; I393-K395 VanDerWaalsContact O-N 3.15Å
396R31Very low33.1Very low149 Ų149116.4 Ų116.456%0.56262%0.617SS**THydrogen-bonded Turntrans-94.8-6.8-170.3-66.2178.1-175.9-115.23114.4D392 I393 D673D392-R396 WeakPolarHBondContact O-CG 3.27Å; I393-R396 PolarHBondContact O-N 3.28Å; I393-R396 VanDerWaalsContact O-N 3.14Å; R396-D673 IonicContact CZ-OD2 3.4Å; R396-D673 IonicContact NH1-OD2 3.14Å; R396-D673 PolarHBondContact NH1-OD2 3.37Å; R396-D673 IonicContact NH2-OD2 3.44Å
397F29.9Very low34.3Very low153 Ų153111.4 Ų111.467%0.67159%0.59SS**THydrogen-bonded Turntrans-85.6-6.2174.2-92.3-85.6000114.2I393 S400I393-F397 HydrophobicContact CG2-CD2 4.15Å; I393-F397 HydrophobicContact CG2-CE2 3.94Å; F397-S400 PolarHBondContact O-OG 3.12Å
398D27.2Very low35.7Very low92 Ų92108.7 Ų108.749%0.49257%0.566SS.*SBendtrans-81.5-27-167.1-125.150.8000113.8K401D398-K401 VanDerWaalsContact O-CD 3.25Å; D398-K401 WeakPolarHBondContact O-CD 3.43Å; D398-K401 WeakPolarHBondContact O-CE 3.42Å; D398-K401 VanDerWaalsContact O-CG 3.31Å; D398-K401 WeakPolarHBondContact O-CG 3.46Å; D398-K401 WeakPolarHBondContact OD1-CE 2.92Å; D398-K401 IonicContact OD1-NZ 3.74Å; D398-K401 PolarHBondContact OD1-NZ 3.35Å; D398-K401 IonicContact OD2-NZ 3.41Å; D398-K401 PolarHBondContact OD2-NZ 3.2Å
399D29.4Very low36.6Very low158 Ų158106.3 Ų106.385%0.84556%0.561SS**THydrogen-bonded Turntrans-86.9-8.5-175.8-64.6-46.2000114.5
400S33.6Very low38.1Very low78 Ų78102.8 Ų102.855%0.54554%0.538SS..THydrogen-bonded Turntrans-935.5179.455.10000114.6F397 H402F397-S400 PolarHBondContact O-OG 3.12Å; S400-H402 VanDerWaalsContact C-N 3.29Å; S400-H402 PolarHBondContact O-N 3.11Å; S400-H402 VanDerWaalsContact O-N 3.17Å
401K31.3Very low39.8Very low99 Ų9998.9 Ų98.943%0.4352%0.515SS..G310 helixtrans-57.9-31.5-169.7-75172.5-178.8166.80115.4D398 F403 G404 D405D398-K401 VanDerWaalsContact O-CD 3.25Å; D398-K401 WeakPolarHBondContact O-CD 3.43Å; D398-K401 WeakPolarHBondContact O-CE 3.42Å; D398-K401 VanDerWaalsContact O-CG 3.31Å; D398-K401 WeakPolarHBondContact O-CG 3.46Å; D398-K401 WeakPolarHBondContact OD1-CE 2.92Å; D398-K401 IonicContact OD1-NZ 3.74Å; D398-K401 PolarHBondContact OD1-NZ 3.35Å; D398-K401 IonicContact OD2-NZ 3.41Å; D398-K401 PolarHBondContact OD2-NZ 3.2Å; K401-F403 VanDerWaalsContact C-N 3.29Å; K401-F403 PolarHBondContact O-N 3.41Å; K401-F403 VanDerWaalsContact O-N 3.12Å; K401-G404 PolarHBondContact O-N 3.24Å; K401-G404 VanDerWaalsContact O-N 3.09Å; K401-D405 PolarHBondContact O-N 2.84Å
402H37.2Very low41.1Very low183 Ų183100.1 Ų100.185%0.84751%0.514SS*.G310 helixtrans-63.8-21.6-168.4-96-57.8000116.7S400S400-H402 VanDerWaalsContact C-N 3.29Å; S400-H402 PolarHBondContact O-N 3.11Å; S400-H402 VanDerWaalsContact O-N 3.17Å
403F37.2Very low42.6Very low171 Ų17195.6 Ų95.675%0.7549%0.49SS*.G310 helixtrans-96.9-14.3175.6-90-90.4000114K401K401-F403 VanDerWaalsContact C-N 3.29Å; K401-F403 PolarHBondContact O-N 3.41Å; K401-F403 VanDerWaalsContact O-N 3.12Å
404G39.8Very low44.1Very low37 Ų3796.5 Ų96.538%0.38149%0.489SS..THydrogen-bonded Turntrans-89.3-34.9-175.600000114.3K401K401-G404 PolarHBondContact O-N 3.24Å; K401-G404 VanDerWaalsContact O-N 3.09Å
405D41.2Very low45.6Very low75 Ų7595.7 Ų95.740%0.40147%0.474SS..Hα-helixtrans-80.6-19.7-173-72.4-40.6000113.8K401 I407 W408 G409K401-D405 PolarHBondContact O-N 2.84Å; D405-I407 PolarHBondContact O-N 2.85Å; D405-W408 PolarHBondContact O-N 3.05Å; D405-G409 WeakPolarHBondContact O-CA 3.35Å; D405-G409 PolarHBondContact O-N 3.14Å
406D54.5Low47Very low81 Ų8188.9 Ų88.943%0.43345%0.446SS..Hα-helixtrans-65.7-43.6-169.7-156.658.6000113.4K463 K467D406-K463 WeakPolarHBondContact O-CE 3.1Å; D406-K463 PolarHBondContact O-NZ 3.32Å; D406-K467 IonicContact OD2-NZ 2.75Å; D406-K467 PolarHBondContact OD2-NZ 3.08Å
407I55.7Low48.3Very low26 Ų2682.3 Ų82.313%0.13342%0.423CS..Hα-helixtrans-81.8-37.1172.2-72179.5000111.7Q82 D405 F460 K463Q82-I407 HydrophobicContact CB-CD1 3.73Å; Q82-I407 HydrophobicContact CG-CD1 3.59Å; D405-I407 PolarHBondContact O-N 2.85Å; I407-F460 HydrophobicContact CG2-CD1 4.34Å; I407-K463 VanDerWaalsContact C-NZ 3.29Å; I407-K463 WeakPolarHBondContact O-CD 3.12Å; I407-K463 WeakPolarHBondContact O-CE 3.3Å; I407-K463 PolarHBondContact O-NZ 2.73Å
408W58.1Low49.9Very low35 Ų3580 Ų8013%0.13341%0.414CS..Hα-helixtrans-99.6-1.4-165.1-52.781.7000114.1Y89 D405 D410 T413 F460Y89-W408 AromaticContact CD1-CH2 3.99Å; Y89-W408 HydrophobicContact CD1-CH2 3.99Å; Y89-W408 AromaticContact CD2-CH2 3.62Å; Y89-W408 HydrophobicContact CD2-CH2 3.62Å; Y89-W408 AromaticContact CD2-CZ2 3.66Å; Y89-W408 HydrophobicContact CD2-CZ2 3.66Å; Y89-W408 AromaticContact CE1-CH2 3.79Å; Y89-W408 HydrophobicContact CE1-CH2 3.79Å; Y89-W408 HydrophobicContact CE1-CZ2 4.25Å; Y89-W408 AromaticContact CE2-CH2 3.46Å; Y89-W408 HydrophobicContact CE2-CH2 3.46Å; Y89-W408 VanDerWaalsContact CE2-CH2 3.46Å; Y89-W408 AromaticContact CE2-CZ2 3.18Å; Y89-W408 HydrophobicContact CE2-CZ2 3.18Å; Y89-W408 AromaticContact CG-CH2 3.92Å; Y89-W408 HydrophobicContact CG-CH2 3.92Å; Y89-W408 HydrophobicContact CG-CZ2 4.42Å; Y89-W408 AromaticContact CZ-CH2 3.54Å; Y89-W408 AromaticContact CZ-CZ2 3.52Å; D405-W408 PolarHBondContact O-N 3.05Å; W408-D410 PolarHBondContact O-N 3.45Å; W408-D410 VanDerWaalsContact O-O 3.09Å; W408-T413 HydrophobicContact CE3-CG2 4.22Å; W408-F460 HydrophobicContact CD2-CE1 4.47Å; W408-F460 AromaticContact CE3-CE1 3.78Å; W408-F460 HydrophobicContact CE3-CE1 3.78Å; W408-F460 HydrophobicContact CE3-CZ 4.03Å; W408-F460 HydrophobicContact CH2-CD1 4.33Å; W408-F460 AromaticContact CH2-CE1 3.56Å; W408-F460 HydrophobicContact CH2-CE1 3.56Å; W408-F460 AromaticContact CH2-CE2 3.84Å; W408-F460 HydrophobicContact CH2-CE2 3.84Å; W408-F460 AromaticContact CH2-CZ 3.32Å; W408-F460 HydrophobicContact CH2-CZ 3.32Å; W408-F460 HydrophobicContact CZ2-CE1 4.25Å; W408-F460 HydrophobicContact CZ2-CZ 4.37Å; W408-F460 HydrophobicContact CZ3-CD1 4.42Å; W408-F460 AromaticContact CZ3-CE1 3.32Å; W408-F460 HydrophobicContact CZ3-CE1 3.32Å; W408-F460 HydrophobicContact CZ3-CE2 4.07Å; W408-F460 AromaticContact CZ3-CZ 3.13Å; W408-F460 HydrophobicContact CZ3-CZ 3.13Å
409G49.1Very low51.7Low51 Ų5180.2 Ų80.253%0.52641%0.413SS..  trans-70.124.2-16800000118D405D405-G409 WeakPolarHBondContact O-CA 3.35Å; D405-G409 PolarHBondContact O-N 3.14Å
410D63.7Low53.3Low42 Ų4274.8 Ų74.823%0.22538%0.38CS..SBendtrans-111.1135.1155.177.171000110W408 L412 T413 R414 R459W408-D410 PolarHBondContact O-N 3.45Å; W408-D410 VanDerWaalsContact O-O 3.09Å; D410-L412 PolarHBondContact O-N 2.9Å; D410-L412 VanDerWaalsContact O-N 3.13Å; D410-T413 PolarHBondContact O-N 3.12Å; D410-T413 VanDerWaalsContact O-N 3.1Å; D410-T413 WeakPolarHBondContact OD1-CB 3.48Å; D410-T413 PolarHBondContact OD1-N 3.1Å; D410-T413 PolarHBondContact OD1-OG1 2.79Å; D410-T413 PolarHBondContact OD2-OG1 3.36Å; D410-R414 PolarHBondContact O-N 3.26Å; D410-R459 IonicContact OD1-CZ 2.93Å; D410-R459 IonicContact OD1-NE 3.19Å; D410-R459 IonicContact OD1-NH2 3.72Å; D410-R459 PolarHBondContact OD1-NH2 2.8Å; D410-R459 VanDerWaalsContact OD1-NH2 3.11Å; D410-R459 IonicContact OD2-CZ 2.77Å; D410-R459 VanDerWaalsContact OD2-CZ 3.29Å; D410-R459 IonicContact OD2-NE 3.25Å; D410-R459 PolarHBondContact OD2-NE 2.96Å; D410-R459 IonicContact OD2-NH2 3.57Å; D410-R459 PolarHBondContact OD2-NH2 2.91Å
411E61.4Low54.5Low85 Ų8573.6 Ų73.640%0.39737%0.368SS..Hα-helixtrans-64-25.5-166.117862.6175.700113.3R414 K415E411-R414 IonicContact OE1-NH2 3.81Å; E411-R414 IonicContact OE2-CZ 3.29Å; E411-R414 VanDerWaalsContact OE2-CZ 3.23Å; E411-R414 IonicContact OE2-NE 2.73Å; E411-R414 PolarHBondContact OE2-NE 3.27Å; E411-R414 IonicContact OE2-NH2 3.11Å; E411-R414 PolarHBondContact OE2-NH2 3.08Å; E411-K415 HydrophobicContact CG-CD 4.16Å; E411-K415 VanDerWaalsContact O-CB 3.29Å; E411-K415 WeakPolarHBondContact O-CB 3.47Å; E411-K415 VanDerWaalsContact O-CG 3.3Å; E411-K415 WeakPolarHBondContact O-CG 3.28Å; E411-K415 PolarHBondContact O-N 2.96Å; E411-K415 WeakPolarHBondContact OE1-CE 3.25Å; E411-K415 IonicContact OE1-NZ 2.97Å; E411-K415 PolarHBondContact OE1-NZ 3.28Å
412L60.7Low55.2Low102 Ų10275.8 Ų75.853%0.53438%0.381SS..Hα-helixtrans-71.7-48.3175.1-178.363.5000110.9D410 R414 K415 L416D410-L412 PolarHBondContact O-N 2.9Å; D410-L412 VanDerWaalsContact O-N 3.13Å; L412-R414 VanDerWaalsContact C-N 3.31Å; L412-R414 PolarHBondContact O-N 3.26Å; L412-K415 PolarHBondContact O-N 3.24Å; L412-L416 HydrophobicContact CD1-CD1 4.01Å; L412-L416 HydrophobicContact CD1-CG 4.24Å; L412-L416 HydrophobicContact CG-CD1 3.93Å; L412-L416 WeakPolarHBondContact O-CB 3.42Å; L412-L416 WeakPolarHBondContact O-CG 3.06Å; L412-L416 PolarHBondContact O-N 3.48Å
413T61.5Low55.4Low2 Ų269 Ų691%0.01236%0.361CS..Hα-helixtrans-60.4-41.8176.1-61.30000111.4W408 D410 S417 L456 R459 F460W408-T413 HydrophobicContact CE3-CG2 4.22Å; D410-T413 PolarHBondContact O-N 3.12Å; D410-T413 VanDerWaalsContact O-N 3.1Å; D410-T413 WeakPolarHBondContact OD1-CB 3.48Å; D410-T413 PolarHBondContact OD1-N 3.1Å; D410-T413 PolarHBondContact OD1-OG1 2.79Å; D410-T413 PolarHBondContact OD2-OG1 3.36Å; T413-S417 VanDerWaalsContact O-CB 3.27Å; T413-S417 WeakPolarHBondContact O-CB 3.32Å; T413-S417 PolarHBondContact O-N 3.03Å; T413-S417 PolarHBondContact O-OG 2.61Å; T413-L456 HydrophobicContact CG2-CD1 3.98Å; T413-R459 VanDerWaalsContact OG1-CD 3.25Å; T413-R459 WeakPolarHBondContact OG1-CD 3.15Å; T413-R459 PolarHBondContact OG1-NE 3.45Å; T413-F460 HydrophobicContact CG2-CD1 4.37Å; T413-F460 HydrophobicContact CG2-CE1 3.54Å; T413-F460 HydrophobicContact CG2-CZ 4.37Å
414R65.5Low55.1Low98 Ų9873.1 Ų73.137%0.3737%0.372SS..Hα-helixtrans-65.7-40176.1-166.1170.770.2156.15.8112.9D410 E411 L412 S417 Q418D410-R414 PolarHBondContact O-N 3.26Å; E411-R414 IonicContact OE1-NH2 3.81Å; E411-R414 IonicContact OE2-CZ 3.29Å; E411-R414 VanDerWaalsContact OE2-CZ 3.23Å; E411-R414 IonicContact OE2-NE 2.73Å; E411-R414 PolarHBondContact OE2-NE 3.27Å; E411-R414 IonicContact OE2-NH2 3.11Å; E411-R414 PolarHBondContact OE2-NH2 3.08Å; L412-R414 VanDerWaalsContact C-N 3.31Å; L412-R414 PolarHBondContact O-N 3.26Å; R414-S417 PolarHBondContact O-OG 3.03Å; R414-S417 VanDerWaalsContact O-OG 3.06Å; R414-Q418 WeakPolarHBondContact O-CB 3.36Å; R414-Q418 WeakPolarHBondContact O-CG 3.49Å; R414-Q418 PolarHBondContact O-N 3.2Å
415K60.2Low54.6Low113 Ų11374.1 Ų74.149%0.49138%0.382SS..Hα-helixtrans-69.7-45.4176.1-83.4171.4163.5135.80112.7E411 L412 Q418 Q419E411-K415 HydrophobicContact CG-CD 4.16Å; E411-K415 VanDerWaalsContact O-CB 3.29Å; E411-K415 WeakPolarHBondContact O-CB 3.47Å; E411-K415 VanDerWaalsContact O-CG 3.3Å; E411-K415 WeakPolarHBondContact O-CG 3.28Å; E411-K415 PolarHBondContact O-N 2.96Å; E411-K415 WeakPolarHBondContact OE1-CE 3.25Å; E411-K415 IonicContact OE1-NZ 2.97Å; E411-K415 PolarHBondContact OE1-NZ 3.28Å; L412-K415 PolarHBondContact O-N 3.24Å; K415-Q418 PolarHBondContact O-N 2.91Å; K415-Q419 WeakPolarHBondContact O-CB 3.31Å; K415-Q419 PolarHBondContact O-N 2.78Å
416L58.8Low54Low37 Ų3777.1 Ų77.119%0.19441%0.409CS..Hα-helixtrans-65.3-40177.2-69.1171.1000111.1L412 Q419 Y420 L456L412-L416 HydrophobicContact CD1-CD1 4.01Å; L412-L416 HydrophobicContact CD1-CG 4.24Å; L412-L416 HydrophobicContact CG-CD1 3.93Å; L412-L416 WeakPolarHBondContact O-CB 3.42Å; L412-L416 WeakPolarHBondContact O-CG 3.06Å; L412-L416 PolarHBondContact O-N 3.48Å; L416-Q419 PolarHBondContact O-N 3.12Å; L416-Y420 HydrophobicContact CD2-CE2 4.3Å; L416-Y420 WeakPolarHBondContact O-CD2 3.41Å; L416-Y420 PolarHBondContact O-N 3.28Å; L416-L456 HydrophobicContact CB-CD1 4.48Å; L416-L456 HydrophobicContact CB-CD2 4.05Å
417S59Low52.6Low11 Ų1177.3 Ų77.38%0.07743%0.43CS..Hα-helixtrans-63.3-47.1173.977.50000111.3T413 R414 Q419 Y420 L421T413-S417 VanDerWaalsContact O-CB 3.27Å; T413-S417 WeakPolarHBondContact O-CB 3.32Å; T413-S417 PolarHBondContact O-N 3.03Å; T413-S417 PolarHBondContact O-OG 2.61Å; R414-S417 PolarHBondContact O-OG 3.03Å; R414-S417 VanDerWaalsContact O-OG 3.06Å; S417-Q419 VanDerWaalsContact C-N 3.34Å; S417-Q419 PolarHBondContact O-N 3.24Å; S417-Y420 PolarHBondContact O-N 3.48Å; S417-L421 WeakPolarHBondContact O-CA 3.47Å; S417-L421 WeakPolarHBondContact O-CB 3.24Å; S417-L421 PolarHBondContact O-N 3.34Å
418Q63.5Low51.3Low103 Ų10380.8 Ų80.848%0.48146%0.463SS..Hα-helixtrans-56.8-44.9174.2-75170.50.300112.2R414 K415 Y420 L421 M422R414-Q418 WeakPolarHBondContact O-CB 3.36Å; R414-Q418 WeakPolarHBondContact O-CG 3.49Å; R414-Q418 PolarHBondContact O-N 3.2Å; K415-Q418 PolarHBondContact O-N 2.91Å; Q418-Y420 PolarHBondContact O-N 2.94Å; Q418-L421 PolarHBondContact O-N 3.04Å; Q418-M422 WeakPolarHBondContact O-CA 3.12Å; Q418-M422 WeakPolarHBondContact O-CB 3.42Å; Q418-M422 PolarHBondContact O-N 3.18Å
419Q64.4Low50Low98 Ų9883.9 Ų83.946%0.45850%0.496SS..Hα-helixtrans-57.4-43.7177.7177.4-178.5-44.800113K415 L416 S417K415-Q419 WeakPolarHBondContact O-CB 3.31Å; K415-Q419 PolarHBondContact O-N 2.78Å; L416-Q419 PolarHBondContact O-N 3.12Å; S417-Q419 VanDerWaalsContact C-N 3.34Å; S417-Q419 PolarHBondContact O-N 3.24Å
420Y62.3Low48.9Very low43 Ų4387 Ų8717%0.16951%0.51CS..Hα-helixtrans-93.6-5.6-177.1-65.5-64.1000114.2L416 S417 Q418 Q449 E452 M453L416-Y420 HydrophobicContact CD2-CE2 4.3Å; L416-Y420 WeakPolarHBondContact O-CD2 3.41Å; L416-Y420 PolarHBondContact O-N 3.28Å; S417-Y420 PolarHBondContact O-N 3.48Å; Q418-Y420 PolarHBondContact O-N 2.94Å; Y420-Q449 HydrophobicContact CE1-CB 4.04Å; Y420-Q449 HydrophobicContact CE1-CG 3.93Å; Y420-E452 HydrophobicContact CE2-CB 4.22Å; Y420-E452 PolarHBondContact OH-OE2 3.01Å; Y420-M453 HydrophobicContact CD1-CG 4.43Å; Y420-M453 HydrophobicContact CD2-CG 4.49Å; Y420-M453 HydrophobicContact CG-CG 4.37Å
421L59Low47.3Very low54 Ų5494.1 Ų94.128%0.28354%0.541SS..Hα-helixtrans-113.7-30.9-177.4-161.374.9000113.7Y89 R92 S417 Q418Y89-L421 HydrophobicContact CD1-CD1 3.95Å; Y89-L421 HydrophobicContact CE1-CD1 3.59Å; Y89-L421 HydrophobicContact CE1-CD2 3.78Å; Y89-L421 HydrophobicContact CE1-CG 4.33Å; R92-L421 VanDerWaalsContact NH1-CD1 3.26Å; S417-L421 WeakPolarHBondContact O-CA 3.47Å; S417-L421 WeakPolarHBondContact O-CB 3.24Å; S417-L421 PolarHBondContact O-N 3.34Å; Q418-L421 PolarHBondContact O-N 3.04Å
422M46.1Very low45.7Very low144 Ų14495.5 Ų95.571%0.70956%0.56SS**SBendtrans-11262.4-178-59.5-73.5-76.500109.3Q418Q418-M422 WeakPolarHBondContact O-CA 3.12Å; Q418-M422 WeakPolarHBondContact O-CB 3.42Å; Q418-M422 PolarHBondContact O-N 3.18Å
423G41.8Very low44.2Very low42 Ų4298.9 Ų98.943%0.43358%0.575SS.*  trans-51.2136.1-168.100000114.6G425G423-G425 PolarHBondContact O-N 2.85Å
424R31.9Very low42.6Very low257 Ų257104.6 Ų104.697%0.9761%0.61SS**SBendtrans-2091.3-173.6-71.4-174.7174.5-169.80.1115.2
425G28.4Very low40.8Very low58 Ų58105.5 Ų105.560%0.59863%0.626SS**  trans-149.6126.6176.600000112.8G423G423-G425 PolarHBondContact O-N 2.85Å
426S27.7Very low39.3Very low138 Ų138107.1 Ų107.197%0.96564%0.64SS**SBendtrans63.7113.2173.3-139.30000116.6
427G26.3Very low38Very low84 Ų84112.9 Ų112.987%0.86667%0.671SS**  trans168.4-18.7168.500000120.6
428A28.2Very low36.9Very low100 Ų100119.5 Ų119.583%0.82670%0.701SS**SBendtrans-157.7159.6-17800000114.8
429A30.2Very low36.1Very low100 Ų100122.5 Ų122.583%0.82672%0.719SS**  trans62.377.9164.200000118.3Q431A429-Q431 PolarHBondContact O-N 2.97Å
430S25.9Very low35.7Very low117 Ų117126 Ų12682%0.81873%0.733SS**  trans-77.6102.1162.2-55.30000112.1
431Q30Very low36Very low191 Ų191126.9 Ų126.989%0.89374%0.743SS**  trans-179.9150.9151.8-104.8157.773.100112.5A429A429-Q431 PolarHBondContact O-N 2.97Å
432S29.4Very low37Very low113 Ų113127.1 Ų127.179%0.7975%0.749SS**  trans60.198.9176.4-117.30000116.2
433M27.9Very low38.6Very low173 Ų173124.8 Ų124.885%0.85274%0.744SS**  79.211577.4-77.4-164.3-179.400116.4
434V28.8Very low40.6Very low122 Ų122130.2 Ų130.274%0.73976%0.759SS**  trans74.598.4137-177.60000119.2
435V28.1Very low43.2Very low118 Ų118120.7 Ų120.772%0.71573%0.725SS**  trans76.8130135.9176.20000120.2
436N27.4Very low45.9Very low146 Ų146118.1 Ų118.178%0.78170%0.698SS**  trans44108.3159.1-58.8-4000120.3
437N31Very low48.7Very low158 Ų158116.3 Ų116.385%0.84567%0.673SS**  -168.2155.6119.8-116.2-20.2000113.9L439N437-L439 PolarHBondContact O-N 3.05Å
438E36Very low51.7Low151 Ų151117.2 Ų117.271%0.70665%0.65SS**  trans-68.4111.2162-68174.318000109.6K440E438-K440 HydrophobicContact CB-CG 4.49Å; E438-K440 PolarHBondContact O-N 3.33Å; E438-K440 VanDerWaalsContact OE2-CE 3.25Å; E438-K440 WeakPolarHBondContact OE2-CE 3.35Å
439L46.4Very low54.6Low165 Ų165113.8 Ų113.886%0.86462%0.617SS**  trans-77.175.6170.3-84.5162.7000110.1N437 V441N437-L439 PolarHBondContact O-N 3.05Å; L439-V441 PolarHBondContact O-N 3.14Å; L439-V441 VanDerWaalsContact O-N 3.16Å
440K56.6Low57.4Low173 Ų173109 Ų10975%0.75258%0.578SS**PPolyproline II helixtrans-55.5119.4169.4-67.9-168.1176.5-170.40109E438E438-K440 HydrophobicContact CB-CG 4.49Å; E438-K440 PolarHBondContact O-N 3.33Å; E438-K440 VanDerWaalsContact OE2-CE 3.25Å; E438-K440 WeakPolarHBondContact OE2-CE 3.35Å
441V69Low60.5Low60 Ų60107.5 Ų107.536%0.36456%0.559SS.*PPolyproline II helixtrans-60.3136.6176.7-177.90000108.2L100 L439 E445 A446L100-V441 HydrophobicContact CD2-CB 4.43Å; L100-V441 HydrophobicContact CD2-CG2 4.22Å; L439-V441 PolarHBondContact O-N 3.14Å; L439-V441 VanDerWaalsContact O-N 3.16Å; V441-E445 HydrophobicContact CG1-CB 3.79Å; V441-E445 HydrophobicContact CG1-CG 3.52Å; V441-A446 HydrophobicContact CG1-CB 4.21Å
442S80.7Confident63.3Low59 Ų59100.6 Ų100.641%0.41353%0.527SS..PPolyproline II helixtrans-54.7137.5175171.70000109.4E444 E445 A446S442-E444 PolarHBondContact O-N 2.91Å; S442-E444 VanDerWaalsContact O-N 3.08Å; S442-E444 PolarHBondContact OG-N 3.46Å; S442-E445 PolarHBondContact O-N 3.44Å; S442-A446 PolarHBondContact O-N 3.43Å
443P80Confident66.2Low95 Ų9595.2 Ų95.262%0.61749%0.49SS*.Hα-helixtrans-58.9-24.5179.124.1-34.5000112.6K447P443-K447 WeakPolarHBondContact O-CD 3.33Å; P443-K447 WeakPolarHBondContact O-CG 3.16Å; P443-K447 PolarHBondContact O-N 2.96Å
444E83.6Confident69.3Low156 Ų15688.5 Ų88.573%0.72946%0.456SS*.Hα-helixtrans-73.6-40.8173.5-60.4-177.4144.300112.2S442 K447 R448S442-E444 PolarHBondContact O-N 2.91Å; S442-E444 VanDerWaalsContact O-N 3.08Å; S442-E444 PolarHBondContact OG-N 3.46Å; E444-K447 PolarHBondContact O-N 3.02Å; E444-R448 PolarHBondContact O-N 3.38Å
445E85.9Confident72.2Confident57 Ų5785.9 Ų85.927%0.26644%0.443SS..Hα-helixtrans-69.1-40.4177.1173.563.2-176.900111.2V441 S442 K447 R448 Q449V441-E445 HydrophobicContact CG1-CB 3.79Å; V441-E445 HydrophobicContact CG1-CG 3.52Å; S442-E445 PolarHBondContact O-N 3.44Å; E445-K447 VanDerWaalsContact C-N 3.32Å; E445-K447 PolarHBondContact O-N 2.87Å; E445-R448 WeakPolarHBondContact O-CB 3.41Å; E445-R448 PolarHBondContact O-N 3.39Å; E445-R448 IonicContact OE1-CZ 2.91Å; E445-R448 IonicContact OE1-NE 3.08Å; E445-R448 IonicContact OE1-NH2 3.56Å; E445-R448 PolarHBondContact OE1-NH2 2.84Å; E445-R448 IonicContact OE2-CZ 3.68Å; E445-R448 VanDerWaalsContact OE2-CZ 3.26Å; E445-R448 IonicContact OE2-NE 3.19Å; E445-R448 PolarHBondContact OE2-NE 2.85Å; E445-R448 IonicContact OE2-NH2 3.49Å; E445-R448 PolarHBondContact OE2-NH2 2.8Å; E445-Q449 HydrophobicContact CG-CG 4.48Å; E445-Q449 VanDerWaalsContact O-CG 3.27Å; E445-Q449 WeakPolarHBondContact O-CG 3.47Å; E445-Q449 PolarHBondContact O-N 3.1Å; E445-Q449 PolarHBondContact OE1-NE2 3.16Å
446A84.7Confident75.2Confident4 Ų480.5 Ų80.53%0.03341%0.411CS..Hα-helixtrans-57.9-44.5172.800000111.7L100 V441 S442 Q449 C450L100-A446 HydrophobicContact CB-CB 4.15Å; L100-A446 HydrophobicContact CD2-CB 4.34Å; L100-A446 WeakPolarHBondContact O-CB 3.35Å; V441-A446 HydrophobicContact CG1-CB 4.21Å; S442-A446 PolarHBondContact O-N 3.43Å; A446-Q449 PolarHBondContact O-N 2.99Å; A446-C450 PolarHBondContact O-N 3.04Å; A446-C450 PolarHBondContact O-SG 3.12Å
447K87.4Confident78.2Confident100 Ų10073.6 Ų73.644%0.43537%0.373SS..Hα-helixtrans-62.9-42.4174.6-70.1176.2-178.6-175.60112.2L101 P194 P443 E444 E445 C450 I451L101-K447 HydrophobicContact CD2-CG 4.16Å; P194-K447 HydrophobicContact CG-CB 4Å; P194-K447 HydrophobicContact CG-CD 3.82Å; P194-K447 HydrophobicContact CG-CG 3.63Å; P443-K447 WeakPolarHBondContact O-CD 3.33Å; P443-K447 WeakPolarHBondContact O-CG 3.16Å; P443-K447 PolarHBondContact O-N 2.96Å; E444-K447 PolarHBondContact O-N 3.02Å; E445-K447 VanDerWaalsContact C-N 3.32Å; E445-K447 PolarHBondContact O-N 2.87Å; K447-C450 PolarHBondContact O-N 2.93Å; K447-I451 WeakPolarHBondContact O-CG1 3.33Å; K447-I451 PolarHBondContact O-N 3.49Å; K447-I451 VanDerWaalsContact O-N 3.12Å
448R89Confident81.2Confident104 Ų10467.9 Ų67.939%0.39234%0.343SS..Hα-helixtrans-60.5-49.1175.7-172.7-177.669.893.1-0.5111.6E444 E445 C450 I451 E452E444-R448 PolarHBondContact O-N 3.38Å; E445-R448 WeakPolarHBondContact O-CB 3.41Å; E445-R448 PolarHBondContact O-N 3.39Å; E445-R448 IonicContact OE1-CZ 2.91Å; E445-R448 IonicContact OE1-NE 3.08Å; E445-R448 IonicContact OE1-NH2 3.56Å; E445-R448 PolarHBondContact OE1-NH2 2.84Å; E445-R448 IonicContact OE2-CZ 3.68Å; E445-R448 VanDerWaalsContact OE2-CZ 3.26Å; E445-R448 IonicContact OE2-NE 3.19Å; E445-R448 PolarHBondContact OE2-NE 2.85Å; E445-R448 IonicContact OE2-NH2 3.49Å; E445-R448 PolarHBondContact OE2-NH2 2.8Å; R448-C450 VanDerWaalsContact C-N 3.31Å; R448-C450 PolarHBondContact O-N 2.78Å; R448-I451 PolarHBondContact O-N 2.9Å; R448-E452 WeakPolarHBondContact CG-OE1 3.33Å; R448-E452 IonicContact CZ-OE1 3.63Å; R448-E452 IonicContact NE-OE1 3.9Å; R448-E452 VanDerWaalsContact NH1-CD 3.34Å; R448-E452 IonicContact NH1-OE1 2.74Å; R448-E452 PolarHBondContact NH1-OE1 3.09Å; R448-E452 IonicContact NH1-OE2 2.68Å; R448-E452 PolarHBondContact NH1-OE2 3.35Å; R448-E452 PolarHBondContact O-N 2.92Å
449Q87.9Confident83.7Confident28 Ų2865.4 Ų65.413%0.13133%0.327CS..Hα-helixtrans-60.5-39.2179-68.8176.24.600112L100 Y420 E445 A446 E452 M453L100-Q449 HydrophobicContact CD1-CB 3.96Å; Y420-Q449 HydrophobicContact CE1-CB 4.04Å; Y420-Q449 HydrophobicContact CE1-CG 3.93Å; E445-Q449 HydrophobicContact CG-CG 4.48Å; E445-Q449 VanDerWaalsContact O-CG 3.27Å; E445-Q449 WeakPolarHBondContact O-CG 3.47Å; E445-Q449 PolarHBondContact O-N 3.1Å; E445-Q449 PolarHBondContact OE1-NE2 3.16Å; A446-Q449 PolarHBondContact O-N 2.99Å; Q449-E452 PolarHBondContact O-N 2.74Å; Q449-M453 WeakPolarHBondContact O-CB 3.44Å; Q449-M453 WeakPolarHBondContact O-CG 3.49Å; Q449-M453 PolarHBondContact O-N 3.02Å
450C89.6Confident85.8Confident0 Ų058 Ų580%029%0.288CS..Hα-helixtrans-64.1-42.3174.7-67.50000113L101 F191 P192 A446 K447 R448 M453 Q454L101-C450 HydrophobicContact CD1-CB 4.28Å; F191-C450 HydrophobicContact CE1-CB 4.49Å; F191-C450 VanDerWaalsContact CE1-O 3.25Å; F191-C450 WeakPolarHBondContact CE1-O 3.47Å; P192-C450 WeakPolarHBondContact O-CB 3.44Å; A446-C450 PolarHBondContact O-N 3.04Å; A446-C450 PolarHBondContact O-SG 3.12Å; K447-C450 PolarHBondContact O-N 2.93Å; R448-C450 VanDerWaalsContact C-N 3.31Å; R448-C450 PolarHBondContact O-N 2.78Å; C450-M453 PolarHBondContact O-N 2.81Å; C450-Q454 PolarHBondContact O-N 2.81Å
451I90.3Very high87.5Confident84 Ų8449.8 Ų49.843%0.43125%0.252SS..Hα-helixtrans-65.3-44.2176.5-66.8165000110.4K447 R448 M453 Q454 S455K447-I451 WeakPolarHBondContact O-CG1 3.33Å; K447-I451 PolarHBondContact O-N 3.49Å; K447-I451 VanDerWaalsContact O-N 3.12Å; R448-I451 PolarHBondContact O-N 2.9Å; I451-M453 PolarHBondContact O-N 2.7Å; I451-Q454 WeakPolarHBondContact O-CB 3.35Å; I451-Q454 PolarHBondContact O-N 2.92Å; I451-S455 PolarHBondContact O-N 2.75Å; I451-S455 PolarHBondContact O-OG 3.04Å
452E89.5Confident88.4Confident46 Ų4652.5 Ų52.522%0.21526%0.261CS..Hα-helixtrans-62-43.3177-75.7175.4-164.800112.5Y420 R448 Q449 Q454 S455 L456Y420-E452 HydrophobicContact CE2-CB 4.22Å; Y420-E452 PolarHBondContact OH-OE2 3.01Å; R448-E452 WeakPolarHBondContact CG-OE1 3.33Å; R448-E452 IonicContact CZ-OE1 3.63Å; R448-E452 IonicContact NE-OE1 3.9Å; R448-E452 VanDerWaalsContact NH1-CD 3.34Å; R448-E452 IonicContact NH1-OE1 2.74Å; R448-E452 PolarHBondContact NH1-OE1 3.09Å; R448-E452 IonicContact NH1-OE2 2.68Å; R448-E452 PolarHBondContact NH1-OE2 3.35Å; R448-E452 PolarHBondContact O-N 2.92Å; Q449-E452 PolarHBondContact O-N 2.74Å; E452-Q454 VanDerWaalsContact C-N 3.34Å; E452-Q454 PolarHBondContact O-N 2.89Å; E452-S455 PolarHBondContact O-N 2.81Å; E452-L456 WeakPolarHBondContact O-CB 3.42Å; E452-L456 PolarHBondContact O-N 3.19Å
453M90Very high88.8Confident1 Ų153.9 Ų53.91%0.00526%0.259CS..Hα-helixtrans-61.6-40173.4-76-171.6-71.200112.2F93 E96 A97 L100 F191 Y420 Q449 C450 I451 L456 L457F93-M453 HydrophobicContact CB-CB 4.17Å; F93-M453 HydrophobicContact CB-CG 4.3Å; F93-M453 HydrophobicContact CB-SD 3.8Å; F93-M453 HydrophobicContact CD1-CG 4.17Å; F93-M453 HydrophobicContact CD1-SD 3.77Å; F93-M453 HydrophobicContact CD2-CB 3.92Å; F93-M453 HydrophobicContact CD2-CG 4.03Å; F93-M453 HydrophobicContact CD2-SD 4.48Å; F93-M453 HydrophobicContact CE2-CG 4.43Å; F93-M453 HydrophobicContact CG-CB 4.08Å; F93-M453 HydrophobicContact CG-CG 3.92Å; F93-M453 HydrophobicContact CG-SD 3.77Å; E96-M453 HydrophobicContact CB-CE 4.34Å; E96-M453 HydrophobicContact CB-SD 4.23Å; E96-M453 HydrophobicContact CG-CE 4.01Å; E96-M453 HydrophobicContact CG-SD 4.13Å; A97-M453 HydrophobicContact CB-CE 3.94Å; L100-M453 HydrophobicContact CD1-CE 3.9Å; F191-M453 HydrophobicContact CE1-CB 4.28Å; F191-M453 HydrophobicContact CZ-CB 3.69Å; Y420-M453 HydrophobicContact CD1-CG 4.43Å; Y420-M453 HydrophobicContact CD2-CG 4.49Å; Y420-M453 HydrophobicContact CG-CG 4.37Å; Q449-M453 WeakPolarHBondContact O-CB 3.44Å; Q449-M453 WeakPolarHBondContact O-CG 3.49Å; Q449-M453 PolarHBondContact O-N 3.02Å; C450-M453 PolarHBondContact O-N 2.81Å; I451-M453 PolarHBondContact O-N 2.7Å; M453-L456 PolarHBondContact O-N 3.15Å; M453-L457 WeakPolarHBondContact O-CG 3.27Å; M453-L457 PolarHBondContact O-N 2.8Å; M453-L457 VanDerWaalsContact O-N 3.1Å
454Q93Very high89.2Confident32 Ų3249.6 Ų49.615%0.1523%0.231CC..Hα-helixtrans-63.2-50.8175.9-165.8-168.735.600111.3V187 F191 T193 C450 I451 E452 L456 L457 L458V187-Q454 HydrophobicContact CG1-CG 3.55Å; V187-Q454 PolarHBondContact O-NE2 3.12Å; F191-Q454 HydrophobicContact CB-CG 4.09Å; F191-Q454 HydrophobicContact CD1-CB 3.76Å; F191-Q454 HydrophobicContact CD1-CG 4.05Å; F191-Q454 HydrophobicContact CE1-CB 4.11Å; F191-Q454 HydrophobicContact CG-CB 4.2Å; F191-Q454 HydrophobicContact CG-CG 4.09Å; T193-Q454 HydrophobicContact CG2-CB 4.28Å; T193-Q454 HydrophobicContact CG2-CG 4.38Å; C450-Q454 PolarHBondContact O-N 2.81Å; I451-Q454 WeakPolarHBondContact O-CB 3.35Å; I451-Q454 PolarHBondContact O-N 2.92Å; E452-Q454 VanDerWaalsContact C-N 3.34Å; E452-Q454 PolarHBondContact O-N 2.89Å; Q454-L456 VanDerWaalsContact C-N 3.26Å; Q454-L456 PolarHBondContact O-N 3.34Å; Q454-L457 PolarHBondContact O-N 2.98Å; Q454-L458 WeakPolarHBondContact O-CG 3.34Å; Q454-L458 PolarHBondContact O-N 2.94Å; Q454-L458 VanDerWaalsContact O-N 3.08Å
455S91.1Very high89.4Confident67 Ų6742.5 Ų42.547%0.46920%0.2SC..Hα-helixtrans-59.7-36.7178.1-58.30000112.3I451 E452 L458 R459I451-S455 PolarHBondContact O-N 2.75Å; I451-S455 PolarHBondContact O-OG 3.04Å; E452-S455 PolarHBondContact O-N 2.81Å; S455-L458 PolarHBondContact O-N 3.46Å; S455-R459 PolarHBondContact O-N 2.93Å
456L89.8Confident89.4Confident5 Ų545 Ų453%0.02622%0.222CC..Hα-helixtrans-67.1-39.5178.2-172.557.1000111.8F93 T413 L416 E452 M453 Q454 R459 F460F93-L456 HydrophobicContact CE2-CB 4.41Å; F93-L456 HydrophobicContact CE2-CD2 3.76Å; F93-L456 HydrophobicContact CE2-CG 4.14Å; F93-L456 HydrophobicContact CZ-CD2 3.86Å; T413-L456 HydrophobicContact CG2-CD1 3.98Å; L416-L456 HydrophobicContact CB-CD1 4.48Å; L416-L456 HydrophobicContact CB-CD2 4.05Å; E452-L456 WeakPolarHBondContact O-CB 3.42Å; E452-L456 PolarHBondContact O-N 3.19Å; M453-L456 PolarHBondContact O-N 3.15Å; Q454-L456 VanDerWaalsContact C-N 3.26Å; Q454-L456 PolarHBondContact O-N 3.34Å; L456-R459 PolarHBondContact O-N 3.38Å; L456-F460 HydrophobicContact CD1-CE1 3.9Å; L456-F460 HydrophobicContact CD1-CE2 4.25Å; L456-F460 HydrophobicContact CD1-CZ 3.51Å; L456-F460 HydrophobicContact CD2-CZ 4.17Å; L456-F460 HydrophobicContact CG-CE1 4.31Å; L456-F460 HydrophobicContact CG-CE2 3.75Å; L456-F460 HydrophobicContact CG-CZ 3.46Å; L456-F460 VanDerWaalsContact CG-CZ 3.46Å; L456-F460 WeakPolarHBondContact O-CD2 3.37Å; L456-F460 WeakPolarHBondContact O-CE2 3.26Å; L456-F460 VanDerWaalsContact O-CG 3.3Å; L456-F460 WeakPolarHBondContact O-CG 3.43Å; L456-F460 PolarHBondContact O-N 3.31Å; L456-F460 VanDerWaalsContact O-N 3.16Å
457L91.4Very high89.6Confident0 Ų046.9 Ų46.90%023%0.229CC..Hα-helixtrans-65.9-38.8172.3-66.8177.8000113L86 A90 F93 F94 F183 V187 F191 M453 Q454 F460 I461L86-L457 HydrophobicContact CD1-CD2 4.45Å; A90-L457 HydrophobicContact CB-CD1 4.39Å; A90-L457 HydrophobicContact CB-CD2 4.2Å; F93-L457 HydrophobicContact CB-CD1 4.37Å; F93-L457 HydrophobicContact CD2-CD1 4.27Å; F93-L457 HydrophobicContact CD2-CD2 3.71Å; F93-L457 HydrophobicContact CD2-CG 3.8Å; F93-L457 HydrophobicContact CE2-CD2 4.16Å; F93-L457 HydrophobicContact CE2-CG 4.45Å; F94-L457 HydrophobicContact CD2-CD1 4.46Å; F94-L457 HydrophobicContact CE2-CD1 4.33Å; F183-L457 HydrophobicContact CE1-CB 4.34Å; F183-L457 HydrophobicContact CZ-CD2 4.41Å; V187-L457 HydrophobicContact CG1-CB 3.98Å; V187-L457 HydrophobicContact CG1-CD1 4.4Å; V187-L457 HydrophobicContact CG2-CB 4Å; V187-L457 HydrophobicContact CG2-CD1 4.04Å; F191-L457 HydrophobicContact CD2-CD1 3.77Å; F191-L457 HydrophobicContact CE2-CD1 3.68Å; M453-L457 WeakPolarHBondContact O-CG 3.27Å; M453-L457 PolarHBondContact O-N 2.8Å; M453-L457 VanDerWaalsContact O-N 3.1Å; Q454-L457 PolarHBondContact O-N 2.98Å; L457-F460 HydrophobicContact CD2-CD2 4.1Å; L457-F460 HydrophobicContact CD2-CE2 4.33Å; L457-F460 PolarHBondContact O-N 3.06Å; L457-I461 PolarHBondContact O-N 3.48Å
458L92.6Very high89.8Confident39 Ų3942.7 Ų42.720%0.20421%0.211CC..Hα-helixtrans-62.7-45.9176.1-67.4174.5000110.9Q184 V187 E188 Q454 S455 F460 I461 E462Q184-L458 HydrophobicContact CG-CD2 4.29Å; V187-L458 HydrophobicContact CB-CD2 4.03Å; V187-L458 HydrophobicContact CG1-CD2 3.78Å; V187-L458 HydrophobicContact CG1-CG 3.85Å; E188-L458 HydrophobicContact CG-CD2 4.23Å; Q454-L458 WeakPolarHBondContact O-CG 3.34Å; Q454-L458 PolarHBondContact O-N 2.94Å; Q454-L458 VanDerWaalsContact O-N 3.08Å; S455-L458 PolarHBondContact O-N 3.46Å; L458-F460 VanDerWaalsContact C-N 3.3Å; L458-F460 PolarHBondContact O-N 3.09Å; L458-I461 WeakPolarHBondContact O-CG2 3.43Å; L458-I461 PolarHBondContact O-N 2.89Å; L458-I461 VanDerWaalsContact O-N 3.16Å; L458-E462 WeakPolarHBondContact O-CG 3.24Å; L458-E462 PolarHBondContact O-N 2.77Å
459R90.1Very high89.7Confident99 Ų9938 Ų3837%0.37419%0.194SC..Hα-helixtrans-58.3-37.5175.2-167.8-177.6-173.3117.7-0.6113.2D410 T413 S455 L456 K463D410-R459 IonicContact OD1-CZ 2.93Å; D410-R459 IonicContact OD1-NE 3.19Å; D410-R459 IonicContact OD1-NH2 3.72Å; D410-R459 PolarHBondContact OD1-NH2 2.8Å; D410-R459 VanDerWaalsContact OD1-NH2 3.11Å; D410-R459 IonicContact OD2-CZ 2.77Å; D410-R459 VanDerWaalsContact OD2-CZ 3.29Å; D410-R459 IonicContact OD2-NE 3.25Å; D410-R459 PolarHBondContact OD2-NE 2.96Å; D410-R459 IonicContact OD2-NH2 3.57Å; D410-R459 PolarHBondContact OD2-NH2 2.91Å; T413-R459 VanDerWaalsContact OG1-CD 3.25Å; T413-R459 WeakPolarHBondContact OG1-CD 3.15Å; T413-R459 PolarHBondContact OG1-NE 3.45Å; S455-R459 PolarHBondContact O-N 2.93Å; L456-R459 PolarHBondContact O-N 3.38Å; R459-K463 WeakPolarHBondContact O-CB 3.41Å; R459-K463 PolarHBondContact O-N 3.47Å; R459-K463 VanDerWaalsContact O-N 3.08Å
460F89.7Confident89.7Confident8 Ų838.4 Ų38.44%0.03520%0.199CC..Hα-helixtrans-67.1-43.2175.5-59.1-40.8000112.8L86 F93 I407 W408 T413 L456 L457 L458 K463 L464L86-F460 HydrophobicContact CD1-CB 3.55Å; L86-F460 HydrophobicContact CD1-CD2 3.79Å; L86-F460 HydrophobicContact CD1-CG 4.09Å; F93-F460 HydrophobicContact CE2-CE2 4.35Å; I407-F460 HydrophobicContact CG2-CD1 4.34Å; W408-F460 HydrophobicContact CD2-CE1 4.47Å; W408-F460 AromaticContact CE3-CE1 3.78Å; W408-F460 HydrophobicContact CE3-CE1 3.78Å; W408-F460 HydrophobicContact CE3-CZ 4.03Å; W408-F460 HydrophobicContact CH2-CD1 4.33Å; W408-F460 AromaticContact CH2-CE1 3.56Å; W408-F460 HydrophobicContact CH2-CE1 3.56Å; W408-F460 AromaticContact CH2-CE2 3.84Å; W408-F460 HydrophobicContact CH2-CE2 3.84Å; W408-F460 AromaticContact CH2-CZ 3.32Å; W408-F460 HydrophobicContact CH2-CZ 3.32Å; W408-F460 HydrophobicContact CZ2-CE1 4.25Å; W408-F460 HydrophobicContact CZ2-CZ 4.37Å; W408-F460 HydrophobicContact CZ3-CD1 4.42Å; W408-F460 AromaticContact CZ3-CE1 3.32Å; W408-F460 HydrophobicContact CZ3-CE1 3.32Å; W408-F460 HydrophobicContact CZ3-CE2 4.07Å; W408-F460 AromaticContact CZ3-CZ 3.13Å; W408-F460 HydrophobicContact CZ3-CZ 3.13Å; T413-F460 HydrophobicContact CG2-CD1 4.37Å; T413-F460 HydrophobicContact CG2-CE1 3.54Å; T413-F460 HydrophobicContact CG2-CZ 4.37Å; L456-F460 HydrophobicContact CD1-CE1 3.9Å; L456-F460 HydrophobicContact CD1-CE2 4.25Å; L456-F460 HydrophobicContact CD1-CZ 3.51Å; L456-F460 HydrophobicContact CD2-CZ 4.17Å; L456-F460 HydrophobicContact CG-CE1 4.31Å; L456-F460 HydrophobicContact CG-CE2 3.75Å; L456-F460 HydrophobicContact CG-CZ 3.46Å; L456-F460 VanDerWaalsContact CG-CZ 3.46Å; L456-F460 WeakPolarHBondContact O-CD2 3.37Å; L456-F460 WeakPolarHBondContact O-CE2 3.26Å; L456-F460 VanDerWaalsContact O-CG 3.3Å; L456-F460 WeakPolarHBondContact O-CG 3.43Å; L456-F460 PolarHBondContact O-N 3.31Å; L456-F460 VanDerWaalsContact O-N 3.16Å; L457-F460 HydrophobicContact CD2-CD2 4.1Å; L457-F460 HydrophobicContact CD2-CE2 4.33Å; L457-F460 PolarHBondContact O-N 3.06Å; L458-F460 VanDerWaalsContact C-N 3.3Å; L458-F460 PolarHBondContact O-N 3.09Å; F460-K463 PolarHBondContact O-N 3.26Å; F460-L464 VanDerWaalsContact O-CB 3.27Å; F460-L464 WeakPolarHBondContact O-CB 3.37Å; F460-L464 PolarHBondContact O-N 3.42Å
461I91.7Very high89.7Confident1 Ų138.5 Ų38.51%0.00520%0.2CC..Hα-helixtrans-75.6-25.4-179-167.663.1000112.5L86 F122 K180 F183 Q184 L457 L458 G465 L468L86-I461 HydrophobicContact CD2-CB 4.43Å; L86-I461 HydrophobicContact CD2-CD1 3.95Å; F122-I461 HydrophobicContact CE2-CD1 4.29Å; K180-I461 HydrophobicContact CG-CD1 4.37Å; K180-I461 HydrophobicContact CG-CG1 3.85Å; F183-I461 HydrophobicContact CB-CD1 3.9Å; F183-I461 HydrophobicContact CB-CG1 4.01Å; F183-I461 HydrophobicContact CD1-CB 3.55Å; F183-I461 HydrophobicContact CD1-CD1 4.01Å; F183-I461 HydrophobicContact CD1-CG1 3.66Å; F183-I461 HydrophobicContact CD1-CG2 3.85Å; F183-I461 HydrophobicContact CE1-CB 3.96Å; F183-I461 HydrophobicContact CE1-CG2 4.23Å; F183-I461 HydrophobicContact CG-CB 4.45Å; F183-I461 HydrophobicContact CG-CD1 4.07Å; F183-I461 HydrophobicContact CG-CG1 4.13Å; Q184-I461 HydrophobicContact CB-CG2 4.35Å; L457-I461 PolarHBondContact O-N 3.48Å; L458-I461 WeakPolarHBondContact O-CG2 3.43Å; L458-I461 PolarHBondContact O-N 2.89Å; L458-I461 VanDerWaalsContact O-N 3.16Å; I461-G465 WeakPolarHBondContact O-CA 3.4Å; I461-G465 PolarHBondContact O-N 3.19Å; I461-L468 HydrophobicContact CD1-CD1 3.65Å
462E89.3Confident89.6Confident118 Ų11834.9 Ų34.955%0.55118%0.182SC*.Hα-helixtrans-61.9-51.6164.8-74.4170.7174.400111.2L458 G465 P466L458-E462 WeakPolarHBondContact O-CG 3.24Å; L458-E462 PolarHBondContact O-N 2.77Å; E462-G465 PolarHBondContact O-N 2.76Å; E462-P466 VanDerWaalsContact O-CD 3.28Å; E462-P466 WeakPolarHBondContact O-CD 3.31Å
463K87.8Confident89.6Confident87 Ų8733 Ų3338%0.37817%0.173SC..Hα-helixtrans-70.8-33.5-177.3-170.5171.3177.4-176.70113.9D406 I407 R459 F460D406-K463 WeakPolarHBondContact O-CE 3.1Å; D406-K463 PolarHBondContact O-NZ 3.32Å; I407-K463 VanDerWaalsContact C-NZ 3.29Å; I407-K463 WeakPolarHBondContact O-CD 3.12Å; I407-K463 WeakPolarHBondContact O-CE 3.3Å; I407-K463 PolarHBondContact O-NZ 2.73Å; R459-K463 WeakPolarHBondContact O-CB 3.41Å; R459-K463 PolarHBondContact O-N 3.47Å; R459-K463 VanDerWaalsContact O-N 3.08Å; F460-K463 PolarHBondContact O-N 3.26Å
464L88.6Confident89.7Confident5 Ų533 Ų333%0.02617%0.173CC..Hα-helixtrans-77.2-24.5173.2-172.462.5000111.9Q82 L86 F460 K467 L468Q82-L464 HydrophobicContact CB-CD1 3.93Å; L86-L464 HydrophobicContact CD2-CD2 3.75Å; F460-L464 VanDerWaalsContact O-CB 3.27Å; F460-L464 WeakPolarHBondContact O-CB 3.37Å; F460-L464 PolarHBondContact O-N 3.42Å; L464-K467 HydrophobicContact CD1-CB 4.41Å; L464-K467 WeakPolarHBondContact O-CA 3.37Å; L464-K467 WeakPolarHBondContact O-CB 3.37Å; L464-K467 PolarHBondContact O-N 3.01Å; L464-L468 HydrophobicContact CD2-CD2 4.19Å; L464-L468 HydrophobicContact CG-CD1 4.42Å; L464-L468 HydrophobicContact CG-CD2 4.1Å; L464-L468 HydrophobicContact CG-CG 4.07Å; L464-L468 PolarHBondContact O-N 3.05Å
465G87.2Confident89.6Confident8 Ų832.7 Ų32.78%0.08217%0.172CC..G310 helixtrans-46.3-52.5-174.700000115.3I461 E462 K467 L468I461-G465 WeakPolarHBondContact O-CA 3.4Å; I461-G465 PolarHBondContact O-N 3.19Å; E462-G465 PolarHBondContact O-N 2.76Å; G465-K467 PolarHBondContact O-N 3.21Å; G465-L468 WeakPolarHBondContact O-CB 3.37Å; G465-L468 PolarHBondContact O-N 3.5Å
466P86.9Confident89.7Confident110 Ų11029.5 Ų29.571%0.71415%0.15SC*.G310 helixtrans-64.3-15.6178.1-24.635.1000115.3E462E462-P466 VanDerWaalsContact O-CD 3.28Å; E462-P466 WeakPolarHBondContact O-CD 3.31Å
467K88.7Confident89.8Confident43 Ų4329.5 Ų29.519%0.18715%0.15CC..G310 helixtrans-94.5-11.8175-53-170.1-178.5-160.10112.4E74 V79 D406 L464 G465E74-K467 HydrophobicContact CG-CB 4.49Å; E74-K467 HydrophobicContact CG-CD 4Å; E74-K467 HydrophobicContact CG-CG 4.21Å; E74-K467 WeakPolarHBondContact OE1-CD 3.18Å; E74-K467 WeakPolarHBondContact OE1-CE 3.44Å; E74-K467 IonicContact OE1-NZ 2.7Å; E74-K467 PolarHBondContact OE1-NZ 2.71Å; V79-K467 VanDerWaalsContact CG1-O 3.31Å; V79-K467 WeakPolarHBondContact CG1-O 3.46Å; V79-K467 HydrophobicContact CG2-CB 4.19Å; D406-K467 IonicContact OD2-NZ 2.75Å; D406-K467 PolarHBondContact OD2-NZ 3.08Å; L464-K467 HydrophobicContact CD1-CB 4.41Å; L464-K467 WeakPolarHBondContact O-CA 3.37Å; L464-K467 WeakPolarHBondContact O-CB 3.37Å; L464-K467 PolarHBondContact O-N 3.01Å; G465-K467 PolarHBondContact O-N 3.21Å
468L90.8Very high89.9Confident12 Ų1231.9 Ų31.96%0.06316%0.162CC..SBendtrans-82149.4178.2-66.9179000111.4V79 F122 L126 S177 A179 K180 I461 L464 G465V79-L468 HydrophobicContact CG1-CD2 4.04Å; F122-L468 HydrophobicContact CE1-CD2 4.48Å; F122-L468 HydrophobicContact CE2-CD1 4.06Å; F122-L468 HydrophobicContact CZ-CD1 3.98Å; F122-L468 HydrophobicContact CZ-CD2 3.8Å; L126-L468 HydrophobicContact CD1-CD2 4.49Å; S177-L468 WeakPolarHBondContact OG-CB 3.46Å; A179-L468 HydrophobicContact CB-CD1 4.31Å; K180-L468 HydrophobicContact CB-CD1 4.19Å; I461-L468 HydrophobicContact CD1-CD1 3.65Å; L464-L468 HydrophobicContact CD2-CD2 4.19Å; L464-L468 HydrophobicContact CG-CD1 4.42Å; L464-L468 HydrophobicContact CG-CD2 4.1Å; L464-L468 HydrophobicContact CG-CG 4.07Å; L464-L468 PolarHBondContact O-N 3.05Å; G465-L468 WeakPolarHBondContact O-CB 3.37Å; G465-L468 PolarHBondContact O-N 3.5Å
469P88.6Confident89.9Confident4 Ų432.6 Ų32.63%0.02616%0.164CC..  trans-67.7151-17828.3-34.9000112.3L71 L126 A129 S177L71-P469 HydrophobicContact CD2-CB 4.32Å; L126-P469 HydrophobicContact CG-CG 4.44Å; A129-P469 HydrophobicContact CB-CB 3.32Å; A129-P469 HydrophobicContact CB-CG 3.62Å; S177-P469 WeakPolarHBondContact CA-O 3.34Å; S177-P469 VanDerWaalsContact CB-O 3.26Å; S177-P469 WeakPolarHBondContact CB-O 3.36Å; S177-P469 PolarHBondContact OG-O 2.64Å
470P87.2Confident90.2Very high37 Ų3728.3 Ų28.324%0.2415%0.148CC..  trans-69.9-176.5171.931.9-36.5000111.9F175 V176 S472 E475F175-P470 HydrophobicContact CB-CB 3.55Å; V176-P470 CarbonylContact O-C 3.54Å; P470-S472 PolarHBondContact O-N 2.92Å; P470-E475 HydrophobicContact CG-CB 4.13Å; P470-E475 HydrophobicContact CG-CG 4.12Å
471S88.8Confident90.2Very high2 Ų229.6 Ų29.61%0.01416%0.164CC..  trans-59102.7170.2179.90000110.6V176 L473 D474 E475V176-S471 PolarHBondContact O-N 2.63Å; S471-L473 PolarHBondContact O-N 3.26Å; S471-D474 VanDerWaalsContact CB-OD2 3.24Å; S471-D474 WeakPolarHBondContact CB-OD2 3.35Å; S471-D474 PolarHBondContact O-N 3.07Å; S471-D474 PolarHBondContact OG-OD2 3.35Å; S471-E475 PolarHBondContact O-N 2.72Å
472S88.9Confident90.2Very high8 Ų830.1 Ų30.16%0.05617%0.17CC..Hα-helixtrans-63.8-12.9-173.7-40.60000114.4P470 L476P470-S472 PolarHBondContact O-N 2.92Å; S472-L476 WeakPolarHBondContact O-CB 3.25Å; S472-L476 PolarHBondContact O-N 3.39Å
473L90.6Very high90.3Very high6 Ų625.8 Ų25.83%0.03115%0.152CC..Hα-helixtrans-81.6-42.6170.8175.758.4000111.3L153 T156 S471 I477 T490 I536L153-L473 HydrophobicContact CD1-CD1 3.94Å; T156-L473 HydrophobicContact CG2-CD2 4.34Å; S471-L473 PolarHBondContact O-N 3.26Å; L473-I477 HydrophobicContact CD1-CD1 4.01Å; L473-I477 HydrophobicContact CD1-CG1 4.41Å; L473-I477 HydrophobicContact CG-CD1 4.22Å; L473-I477 VanDerWaalsContact O-CG1 3.26Å; L473-I477 WeakPolarHBondContact O-CG1 3.34Å; L473-I477 PolarHBondContact O-N 3.06Å; L473-T490 HydrophobicContact CD2-CG2 4.2Å; L473-I536 HydrophobicContact CD1-CD1 4.08Å; L473-I536 HydrophobicContact CD1-CG2 3.86Å
474D91Very high90.5Very high2 Ų226 Ų261%0.01116%0.164CC..Hα-helixtrans-73.7-43.9-179.9-60.1-69.1000110.7F175 S471 L476 I477 D478 R492 M496F175-D474 HydrophobicContact CD1-CB 3.87Å; F175-D474 HydrophobicContact CE1-CB 3.79Å; S471-D474 VanDerWaalsContact CB-OD2 3.24Å; S471-D474 WeakPolarHBondContact CB-OD2 3.35Å; S471-D474 PolarHBondContact O-N 3.07Å; S471-D474 PolarHBondContact OG-OD2 3.35Å; D474-L476 VanDerWaalsContact C-N 3.29Å; D474-L476 PolarHBondContact O-N 2.94Å; D474-I477 PolarHBondContact O-N 3.47Å; D474-I477 VanDerWaalsContact O-N 3.16Å; D474-D478 WeakPolarHBondContact O-CB 3.09Å; D474-D478 PolarHBondContact O-N 2.88Å; D474-R492 VanDerWaalsContact CG-NH1 3.3Å; D474-R492 IonicContact OD1-CZ 2.85Å; D474-R492 VanDerWaalsContact OD1-CZ 3.25Å; D474-R492 IonicContact OD1-NH1 3.83Å; D474-R492 PolarHBondContact OD1-NH1 2.62Å; D474-R492 IonicContact OD1-NH2 3.59Å; D474-R492 PolarHBondContact OD1-NH2 3.37Å; D474-R492 IonicContact OD2-NH1 2.76Å; D474-R492 PolarHBondContact OD2-NH1 2.98Å; D474-M496 HydrophobicContact CB-CB 4.23Å; D474-M496 PolarHBondContact OD1-N 3.41Å; D474-M496 VanDerWaalsContact OD1-N 3.11Å
475E90.6Very high90.7Very high25 Ų2533.4 Ų33.412%0.11719%0.192CC..Hα-helixtrans-55.8-42.5171.6-171.7-161.916900112V132 P470 S471 K479V132-E475 HydrophobicContact CG1-CG 4.28Å; P470-E475 HydrophobicContact CG-CB 4.13Å; P470-E475 HydrophobicContact CG-CG 4.12Å; S471-E475 PolarHBondContact O-N 2.72Å; E475-K479 HydrophobicContact CG-CD 4.05Å; E475-K479 WeakPolarHBondContact O-CB 3.37Å; E475-K479 WeakPolarHBondContact O-CG 3.42Å; E475-K479 PolarHBondContact O-N 3.23Å; E475-K479 WeakPolarHBondContact OE1-CE 3.39Å; E475-K479 IonicContact OE1-NZ 2.93Å; E475-K479 PolarHBondContact OE1-NZ 3.27Å
476L93.1Very high91.1Very high0 Ų033 Ų330%019%0.188CC..Hα-helixtrans-67.6-41.1177.3177.264.7000111.9V132 V136 I151 L153 S472 D474 L480 I536 L564V132-L476 HydrophobicContact CG1-CB 4.32Å; V132-L476 HydrophobicContact CG1-CD1 4.37Å; V136-L476 HydrophobicContact CG2-CD1 3.75Å; I151-L476 HydrophobicContact CD1-CD1 4.19Å; I151-L476 HydrophobicContact CD1-CD2 4.15Å; I151-L476 HydrophobicContact CD1-CG 4.46Å; I151-L476 HydrophobicContact CG2-CD2 4.19Å; L153-L476 HydrophobicContact CD1-CD2 4.26Å; S472-L476 WeakPolarHBondContact O-CB 3.25Å; S472-L476 PolarHBondContact O-N 3.39Å; D474-L476 VanDerWaalsContact C-N 3.29Å; D474-L476 PolarHBondContact O-N 2.94Å; L476-L480 HydrophobicContact CD1-CD1 3.73Å; L476-L480 HydrophobicContact CD1-CG 4.17Å; L476-L480 HydrophobicContact CG-CD1 3.89Å; L476-L480 WeakPolarHBondContact O-CB 3.44Å; L476-L480 VanDerWaalsContact O-CD1 3.25Å; L476-L480 WeakPolarHBondContact O-CD1 3.33Å; L476-L480 WeakPolarHBondContact O-CG 3.26Å; L476-L480 PolarHBondContact O-N 3.26Å; L476-I536 HydrophobicContact CD2-CD1 3.86Å; L476-I536 HydrophobicContact CG-CD1 4.08Å; L476-L564 HydrophobicContact CD2-CD2 3.73Å
477I93.4Very high91.4Very high6 Ų627.8 Ų27.83%0.03115%0.154CC..Hα-helixtrans-64.7-45.9177-71.4168.5000110.4L473 D474 L480 G482 P483 V486 E488 R492 I536L473-I477 HydrophobicContact CD1-CD1 4.01Å; L473-I477 HydrophobicContact CD1-CG1 4.41Å; L473-I477 HydrophobicContact CG-CD1 4.22Å; L473-I477 VanDerWaalsContact O-CG1 3.26Å; L473-I477 WeakPolarHBondContact O-CG1 3.34Å; L473-I477 PolarHBondContact O-N 3.06Å; D474-I477 PolarHBondContact O-N 3.47Å; D474-I477 VanDerWaalsContact O-N 3.16Å; I477-L480 PolarHBondContact O-N 3.36Å; I477-G482 WeakPolarHBondContact O-CA 3.48Å; I477-G482 PolarHBondContact O-N 3.44Å; I477-P483 HydrophobicContact CG2-CG 4.03Å; I477-V486 HydrophobicContact CG1-CG1 4.21Å; I477-V486 HydrophobicContact CG2-CB 4.46Å; I477-E488 HydrophobicContact CD1-CG 4Å; I477-E488 WeakPolarHBondContact CD1-OE2 3.29Å; I477-R492 VanDerWaalsContact CD1-NH2 3.31Å; I477-I536 HydrophobicContact CD1-CD1 4.43Å; I477-I536 HydrophobicContact CG1-CD1 3.65Å
478D92.7Very high91.6Very high49 Ų4926 Ų2626%0.26215%0.147SC..Hα-helixtrans-57-57.4177.2-179.871.4000111.8F175 D474 L480 G481 G482 M498F175-D478 HydrophobicContact CZ-CB 4.18Å; D474-D478 WeakPolarHBondContact O-CB 3.09Å; D474-D478 PolarHBondContact O-N 2.88Å; D478-L480 PolarHBondContact O-N 3.02Å; D478-G481 WeakPolarHBondContact O-CA 3.37Å; D478-G481 PolarHBondContact O-N 2.9Å; D478-G482 PolarHBondContact O-N 2.66Å; D478-M498 WeakPolarHBondContact OD1-CE 3.23Å
479K93Very high91.6Very high55 Ų5525.5 Ų25.524%0.23914%0.144CC..Hα-helixtrans-64.2-17-178.1-70.5-179.6174.7-178.60114.5V132 E133 V136 K140 E475 G481V132-K479 HydrophobicContact CG1-CD 4.42Å; E133-K479 IonicContact OE1-NZ 3.57Å; E133-K479 PolarHBondContact OE1-NZ 2.87Å; E133-K479 VanDerWaalsContact OE2-CD 3.31Å; E133-K479 WeakPolarHBondContact OE2-CD 3.44Å; E133-K479 IonicContact OE2-NZ 3.26Å; E133-K479 PolarHBondContact OE2-NZ 3.36Å; V136-K479 HydrophobicContact CG1-CB 4.22Å; V136-K479 HydrophobicContact CG2-CB 3.79Å; K140-K479 WeakPolarHBondContact CE-O 3.42Å; K140-K479 PolarHBondContact NZ-O 2.88Å; E475-K479 HydrophobicContact CG-CD 4.05Å; E475-K479 WeakPolarHBondContact O-CB 3.37Å; E475-K479 WeakPolarHBondContact O-CG 3.42Å; E475-K479 PolarHBondContact O-N 3.23Å; E475-K479 WeakPolarHBondContact OE1-CE 3.39Å; E475-K479 IonicContact OE1-NZ 2.93Å; E475-K479 PolarHBondContact OE1-NZ 3.27Å; K479-G481 VanDerWaalsContact C-N 3.32Å
480L94.9Very high91.6Very high8 Ų825.4 Ų25.44%0.04214%0.143CC..THydrogen-bonded Turntrans-87.32.3171.2-66.8170.9000113.5V136 A139 I151 L476 I477 D478 V486 I534V136-L480 HydrophobicContact CB-CD2 4.4Å; V136-L480 HydrophobicContact CG1-CD2 4.3Å; V136-L480 HydrophobicContact CG2-CD2 4.14Å; V136-L480 HydrophobicContact CG2-CG 4.28Å; A139-L480 HydrophobicContact CB-CD2 3.71Å; I151-L480 HydrophobicContact CD1-CD1 3.77Å; L476-L480 HydrophobicContact CD1-CD1 3.73Å; L476-L480 HydrophobicContact CD1-CG 4.17Å; L476-L480 HydrophobicContact CG-CD1 3.89Å; L476-L480 WeakPolarHBondContact O-CB 3.44Å; L476-L480 VanDerWaalsContact O-CD1 3.25Å; L476-L480 WeakPolarHBondContact O-CD1 3.33Å; L476-L480 WeakPolarHBondContact O-CG 3.26Å; L476-L480 PolarHBondContact O-N 3.26Å; I477-L480 PolarHBondContact O-N 3.36Å; D478-L480 PolarHBondContact O-N 3.02Å; L480-V486 HydrophobicContact CB-CG2 3.64Å; L480-V486 HydrophobicContact CD1-CG2 4.14Å; L480-I534 HydrophobicContact CB-CD1 4.3Å; L480-I534 HydrophobicContact CD1-CG2 4.06Å; L480-I534 HydrophobicContact CD2-CD1 4.15Å
481G91.1Very high91.3Very high36 Ų3626 Ų2637%0.37116%0.155SC..THydrogen-bonded Turntrans93.732.4178.900000114D478 K479 R485D478-G481 WeakPolarHBondContact O-CA 3.37Å; D478-G481 PolarHBondContact O-N 2.9Å; K479-G481 VanDerWaalsContact C-N 3.32Å; G481-R485 WeakPolarHBondContact O-CD 3.42Å; G481-R485 WeakPolarHBondContact O-CG 3.43Å
482G91.7Very high91.2Very high12 Ų1226 Ų2612%0.12416%0.155CC..  trans79.4176.2167.300000116.6I477 D478 S484 R485 V486I477-G482 WeakPolarHBondContact O-CA 3.48Å; I477-G482 PolarHBondContact O-N 3.44Å; D478-G482 PolarHBondContact O-N 2.66Å; G482-S484 PolarHBondContact O-N 3.45Å; G482-S484 VanDerWaalsContact O-N 3.1Å; G482-R485 PolarHBondContact O-N 3.17Å; G482-R485 VanDerWaalsContact O-N 3.1Å; G482-V486 PolarHBondContact O-N 3.22Å
483P91.8Very high90.9Very high26 Ų2630.9 Ų30.917%0.16918%0.175CC..THydrogen-bonded Turntrans-61.4-21.1-175.4-23.333.3000115I477 V497 K532I477-P483 HydrophobicContact CG2-CG 4.03Å; P483-V497 HydrophobicContact CG-CG1 4.44Å; P483-V497 HydrophobicContact CG-CG2 3.81Å; P483-K532 WeakPolarHBondContact O-CE 3.48Å; P483-K532 PolarHBondContact O-NZ 2.98Å
484S91.4Very high90.6Very high92 Ų9230.7 Ų30.764%0.64318%0.175SC*.THydrogen-bonded Turntrans-69-30.9176.658.40000112.8G482 K532G482-S484 PolarHBondContact O-N 3.45Å; G482-S484 VanDerWaalsContact O-N 3.1Å; S484-K532 VanDerWaalsContact O-CE 3.26Å; S484-K532 WeakPolarHBondContact O-CE 3.37Å
485R93Very high90.4Very high160 Ų16032.7 Ų32.760%0.60418%0.182SC*.THydrogen-bonded Turntrans-95.8-25.7180-60.2-171-170.4-145.5-2113.8G481 G482G481-R485 WeakPolarHBondContact O-CD 3.42Å; G481-R485 WeakPolarHBondContact O-CG 3.43Å; G482-R485 PolarHBondContact O-N 3.17Å; G482-R485 VanDerWaalsContact O-N 3.1Å
486V95Very high90.2Very high1 Ų131.7 Ų31.71%0.00618%0.178CC..EExtended strand (participates in β ladder)trans-100.9124.1-174.1-176.90000111.5I477 L480 G482 E488 K532 I536I477-V486 HydrophobicContact CG1-CG1 4.21Å; I477-V486 HydrophobicContact CG2-CB 4.46Å; L480-V486 HydrophobicContact CB-CG2 3.64Å; L480-V486 HydrophobicContact CD1-CG2 4.14Å; G482-V486 PolarHBondContact O-N 3.22Å; V486-E488 PolarHBondContact O-N 3.35Å; V486-K532 PolarHBondContact O-NZ 3.02Å; V486-I536 HydrophobicContact CG1-CB 4.49Å; V486-I536 HydrophobicContact CG1-CD1 3.65Å; V486-I536 HydrophobicContact CG1-CG1 3.69Å
487A94Very high90Very high0 Ų032.7 Ų32.70%018%0.184CC..EExtended strand (participates in β ladder)trans-82.889.2174.100000110.1M489 E523 F527 K532 I534 A535 I536A487-M489 HydrophobicContact CB-CE 4.39Å; A487-M489 PolarHBondContact O-N 3.17Å; A487-E523 VanDerWaalsContact CA-OE2 3.26Å; A487-E523 WeakPolarHBondContact CA-OE2 3.11Å; A487-F527 HydrophobicContact CB-CB 3.95Å; A487-K532 HydrophobicContact CB-CB 4.03Å; A487-K532 HydrophobicContact CB-CD 3.93Å; A487-I534 PolarHBondContact N-O 3.35Å; A487-A535 HydrophobicContact CB-CB 4.13Å; A487-A535 WeakPolarHBondContact O-CA 3.31Å; A487-I536 PolarHBondContact O-N 3.18Å
488E92.7Very high89.6Confident6 Ų636 Ų363%0.02820%0.2CC..EExtended strand (participates in β ladder)trans-78.3110.5-178.4-158.4-152.7121.800110.7I477 V486 T490 R492 R509I477-E488 HydrophobicContact CD1-CG 4Å; I477-E488 WeakPolarHBondContact CD1-OE2 3.29Å; V486-E488 PolarHBondContact O-N 3.35Å; E488-T490 HydrophobicContact CG-CG2 3.81Å; E488-T490 PolarHBondContact OE1-OG1 3.03Å; E488-R492 VanDerWaalsContact CD-NE 3.28Å; E488-R492 WeakPolarHBondContact OE1-CG 3.36Å; E488-R492 IonicContact OE1-CZ 3.23Å; E488-R492 IonicContact OE1-NE 2.73Å; E488-R492 PolarHBondContact OE1-NE 2.88Å; E488-R492 IonicContact OE2-CZ 2.84Å; E488-R492 IonicContact OE2-NE 3.52Å; E488-R492 PolarHBondContact OE2-NE 2.96Å; E488-R492 IonicContact OE2-NH2 3.76Å; E488-R492 PolarHBondContact OE2-NH2 3.15Å; E488-R509 PolarHBondContact O-NH2 3.36Å; E488-R509 WeakPolarHBondContact OE1-CD 3.27Å; E488-R509 IonicContact OE1-CZ 3.44Å; E488-R509 IonicContact OE1-NE 2.69Å; E488-R509 PolarHBondContact OE1-NE 3.29Å; E488-R509 IonicContact OE1-NH1 2.74Å; E488-R509 IonicContact OE1-NH2 3.26Å; E488-R509 IonicContact OE2-NE 2.61Å
489M90.5Very high89.1Confident0 Ų035.1 Ų35.10%020%0.203CC..EExtended strand (participates in β ladder)trans-113.473.4173.9-73.4169.6-81.100109.6A487 N520 E523 K524 A535 I536 I537 S538 A541 I545 L547A487-M489 HydrophobicContact CB-CE 4.39Å; A487-M489 PolarHBondContact O-N 3.17Å; M489-N520 WeakPolarHBondContact CA-OD1 3.11Å; M489-E523 HydrophobicContact CG-CB 4.05Å; M489-K524 HydrophobicContact SD-CB 3.69Å; M489-A535 HydrophobicContact CE-CB 3.49Å; M489-A535 VanDerWaalsContact CE-CB 3.49Å; M489-I536 WeakPolarHBondContact CA-O 3.45Å; M489-I536 PolarHBondContact N-O 2.67Å; M489-I537 HydrophobicContact CB-CG2 4.05Å; M489-I537 HydrophobicContact CE-CG2 4.04Å; M489-I537 HydrophobicContact SD-CG2 4.45Å; M489-S538 PolarHBondContact O-N 3.34Å; M489-A541 HydrophobicContact CB-CB 3.98Å; M489-A541 VanDerWaalsContact O-CB 3.27Å; M489-A541 WeakPolarHBondContact O-CB 3.37Å; M489-I545 HydrophobicContact SD-CD1 4.25Å; M489-I545 HydrophobicContact SD-CG2 4.07Å; M489-L547 HydrophobicContact CE-CD1 3.91Å; M489-L547 HydrophobicContact CE-CD2 3.82Å; M489-L547 HydrophobicContact SD-CD1 4.43Å; M489-L547 HydrophobicContact SD-CD2 3.97Å
490T88.4Confident88.6Confident2 Ų241.4 Ų41.41%0.01224%0.239CC..SBendtrans-123.4169.6176.587.10000112.2T156 L473 E488 R492 R509 N520 S538T156-T490 HydrophobicContact CG2-CG2 4.24Å; L473-T490 HydrophobicContact CD2-CG2 4.2Å; E488-T490 HydrophobicContact CG-CG2 3.81Å; E488-T490 PolarHBondContact OE1-OG1 3.03Å; T490-R492 VanDerWaalsContact C-N 3.27Å; T490-R492 PolarHBondContact O-N 2.7Å; T490-R492 VanDerWaalsContact OG1-CG 3.3Å; T490-R492 WeakPolarHBondContact OG1-CG 3.15Å; T490-R492 PolarHBondContact OG1-N 2.95Å; T490-R509 PolarHBondContact O-NH1 3.1Å; T490-N520 PolarHBondContact N-OD1 3.12Å; T490-N520 PolarHBondContact O-ND2 2.91Å; T490-N520 PolarHBondContact O-OD1 3.49Å; T490-S538 WeakPolarHBondContact CA-OG 3.17Å; T490-S538 WeakPolarHBondContact CB-OG 3.44Å
491G81.6Confident87.9Confident49 Ų4946.1 Ų46.151%0.50526%0.264SS..SBendtrans-77.1-1.9178.400000115.6
492R85.2Confident87.3Confident2 Ų246.3 Ų46.31%0.00827%0.266CS..  trans-79.4147.9-170.476.6-167.8-179.1149.40.2114.3E158 D474 I477 E488 T490 G494 R495 R509E158-R492 HydrophobicContact CB-CB 3.9Å; E158-R492 HydrophobicContact CG-CB 3.92Å; E158-R492 VanDerWaalsContact OE2-CA 3.29Å; E158-R492 WeakPolarHBondContact OE2-CA 3.49Å; E158-R492 WeakPolarHBondContact OE2-CB 3.27Å; D474-R492 VanDerWaalsContact CG-NH1 3.3Å; D474-R492 IonicContact OD1-CZ 2.85Å; D474-R492 VanDerWaalsContact OD1-CZ 3.25Å; D474-R492 IonicContact OD1-NH1 3.83Å; D474-R492 PolarHBondContact OD1-NH1 2.62Å; D474-R492 IonicContact OD1-NH2 3.59Å; D474-R492 PolarHBondContact OD1-NH2 3.37Å; D474-R492 IonicContact OD2-NH1 2.76Å; D474-R492 PolarHBondContact OD2-NH1 2.98Å; I477-R492 VanDerWaalsContact CD1-NH2 3.31Å; E488-R492 VanDerWaalsContact CD-NE 3.28Å; E488-R492 WeakPolarHBondContact OE1-CG 3.36Å; E488-R492 IonicContact OE1-CZ 3.23Å; E488-R492 IonicContact OE1-NE 2.73Å; E488-R492 PolarHBondContact OE1-NE 2.88Å; E488-R492 IonicContact OE2-CZ 2.84Å; E488-R492 IonicContact OE2-NE 3.52Å; E488-R492 PolarHBondContact OE2-NE 2.96Å; E488-R492 IonicContact OE2-NH2 3.76Å; E488-R492 PolarHBondContact OE2-NH2 3.15Å; T490-R492 VanDerWaalsContact C-N 3.27Å; T490-R492 PolarHBondContact O-N 2.7Å; T490-R492 VanDerWaalsContact OG1-CG 3.3Å; T490-R492 WeakPolarHBondContact OG1-CG 3.15Å; T490-R492 PolarHBondContact OG1-N 2.95Å; R492-G494 VanDerWaalsContact CD-O 3.3Å; R492-G494 WeakPolarHBondContact CD-O 3.36Å; R492-G494 VanDerWaalsContact CG-O 3.26Å; R492-G494 WeakPolarHBondContact CG-O 3.4Å; R492-R495 VanDerWaalsContact CZ-CB 3.46Å; R492-R509 WeakPolarHBondContact O-CD 3.3Å; R492-R509 PolarHBondContact O-NH1 3.13Å
493K83.1Confident86.9Confident111 Ų11152.5 Ų52.548%0.48329%0.286SS..SBendtrans-84.6-25.8179.7-55.9178.2-177.3171.90112.9E158 R509 L516E158-K493 WeakPolarHBondContact OE1-CB 3.2Å; E158-K493 PolarHBondContact OE1-N 3.45Å; K493-R509 PolarHBondContact O-N 3.49Å; K493-L516 HydrophobicContact CB-CD2 4.45Å; K493-L516 HydrophobicContact CG-CD2 4.09Å
494G84Confident86.5Confident2 Ų251.5 Ų51.52%0.02128%0.279CS..EExtended strand (participates in β ladder)trans-153.1176.2178.200000113.1R492 Y506 E507R492-G494 VanDerWaalsContact CD-O 3.3Å; R492-G494 WeakPolarHBondContact CD-O 3.36Å; R492-G494 VanDerWaalsContact CG-O 3.26Å; R492-G494 WeakPolarHBondContact CG-O 3.4Å; G494-Y506 WeakPolarHBondContact CA-OH 3.49Å; G494-E507 CarbonylContact C-O 3.53Å; G494-E507 WeakPolarHBondContact CA-O 3.5Å
495R87.7Confident86.2Confident44 Ų4449.2 Ų49.217%0.16626%0.263CS..EExtended strand (participates in β ladder)trans-145.9159.1-170.557.5173177.4-122-3.3110.8R492 V497 Y506 E507 R509R492-R495 VanDerWaalsContact CZ-CB 3.46Å; R495-V497 HydrophobicContact CG-CG2 3.85Å; R495-Y506 WeakPolarHBondContact O-CA 3.43Å; R495-E507 HydrophobicContact CG-CB 4Å; R495-E507 IonicContact CZ-OE2 3.91Å; R495-E507 PolarHBondContact N-O 3.26Å; R495-E507 IonicContact NE-OE2 3.75Å; R495-E507 PolarHBondContact NE-OE2 3.47Å; R495-E507 IonicContact NH2-OE2 3.92Å; R495-E507 PolarHBondContact NH2-OE2 2.95Å; R495-E507 PolarHBondContact O-N 3.12Å; R495-R509 HydrophobicContact CG-CG 4.34Å
496M86.7Confident85.9Confident5 Ų543.7 Ų43.73%0.02524%0.242CC..EExtended strand (participates in β ladder)trans-90.2137.5164.5-59.9-49.3-59.600108.9T161 V165 L172 F175 D474 V504 S505 Y506T161-M496 HydrophobicContact CG2-CG 3.55Å; T161-M496 HydrophobicContact CG2-SD 3.52Å; T161-M496 VanDerWaalsContact CG2-SD 3.52Å; V165-M496 HydrophobicContact CG2-SD 4.1Å; L172-M496 HydrophobicContact CB-CE 4.35Å; L172-M496 HydrophobicContact CD1-CE 3.83Å; L172-M496 HydrophobicContact CG-CE 4.2Å; F175-M496 HydrophobicContact CD1-CB 3.67Å; F175-M496 HydrophobicContact CD1-CG 4.49Å; F175-M496 HydrophobicContact CE1-CB 3.79Å; D474-M496 HydrophobicContact CB-CB 4.23Å; D474-M496 PolarHBondContact OD1-N 3.41Å; D474-M496 VanDerWaalsContact OD1-N 3.11Å; M496-V504 HydrophobicContact CB-CG1 3.84Å; M496-V504 HydrophobicContact CE-CG1 3.8Å; M496-S505 WeakPolarHBondContact CA-O 3.37Å; M496-Y506 HydrophobicContact SD-CD2 3.86Å; M496-Y506 HydrophobicContact SD-CG 4.43Å
497V87.8Confident85.5Confident21 Ų2146.9 Ų46.913%0.12726%0.257CS..EExtended strand (participates in β ladder)trans-133.1131175.4-179.60000109.5P483 R495 V504 S505 E507P483-V497 HydrophobicContact CG-CG1 4.44Å; P483-V497 HydrophobicContact CG-CG2 3.81Å; R495-V497 HydrophobicContact CG-CG2 3.85Å; V497-V504 WeakPolarHBondContact O-CA 3.42Å; V497-S505 PolarHBondContact N-O 2.89Å; V497-S505 PolarHBondContact O-N 3.02Å; V497-E507 HydrophobicContact CB-CG 4.17Å; V497-E507 HydrophobicContact CG2-CB 4.35Å; V497-E507 HydrophobicContact CG2-CG 3.97Å; V497-E507 WeakPolarHBondContact CG2-OE2 3.48Å
498M85.7Confident85Confident76 Ų7649.9 Ų49.937%0.37428%0.278SS..EExtended strand (participates in β ladder)trans-79.8124.5170.3-172.4166.461.300109F175 D478 R503 V504F175-M498 HydrophobicContact CE2-CB 4.18Å; F175-M498 HydrophobicContact CZ-CB 3.92Å; D478-M498 WeakPolarHBondContact OD1-CE 3.23Å; M498-R503 CarbonylContact C-O 3.48Å; M498-R503 VanDerWaalsContact CA-O 3.3Å; M498-R503 WeakPolarHBondContact CA-O 3.3Å; M498-V504 HydrophobicContact CB-CG2 4.45Å
499G82.8Confident84.6Confident30 Ų3050.1 Ų50.131%0.30928%0.279SS..  trans-76.9168.6174.800000112.5D501 G502 R503G499-D501 PolarHBondContact O-N 3.34Å; G499-D501 VanDerWaalsContact O-N 3.1Å; G499-G502 PolarHBondContact O-N 3.48Å; G499-R503 PolarHBondContact N-O 3.06Å
500D81.8Confident83.9Confident187 Ų18758.4 Ų58.4100%131%0.31SS*.THydrogen-bonded Turntrans-62.7-14.3174.3-64.7-44000113
501D79.9Confident83.3Confident107 Ų10761.5 Ų61.557%0.57232%0.324SS*.THydrogen-bonded Turntrans-89.4-3.1173.376.2-26.8000113.9G499 R503G499-D501 PolarHBondContact O-N 3.34Å; G499-D501 VanDerWaalsContact O-N 3.1Å; D501-R503 WeakPolarHBondContact OD1-CB 2.96Å; D501-R503 PolarHBondContact OD1-N 2.94Å; D501-R503 WeakPolarHBondContact OD2-CD 3.4Å; D501-R503 VanDerWaalsContact OD2-CG 3.22Å; D501-R503 WeakPolarHBondContact OD2-CG 3.43Å; D501-R503 IonicContact OD2-NE 3.06Å; D501-R503 PolarHBondContact OD2-NE 3.01Å
502G79.5Confident82.5Confident40 Ų4065 Ų6541%0.41234%0.341SS..SBendtrans83.51-178.300000115.6G499G499-G502 PolarHBondContact O-N 3.48Å
503R82.4Confident81.8Confident142 Ų14271.9 Ų71.954%0.53638%0.378SS..  trans-80149.8175-65.8-177-167.7-149.5-1111.5E171 M498 G499 D501E171-R503 IonicContact OE2-CZ 3.18Å; E171-R503 IonicContact OE2-NH1 2.66Å; E171-R503 PolarHBondContact OE2-NH1 3.36Å; M498-R503 CarbonylContact C-O 3.48Å; M498-R503 VanDerWaalsContact CA-O 3.3Å; M498-R503 WeakPolarHBondContact CA-O 3.3Å; G499-R503 PolarHBondContact N-O 3.06Å; D501-R503 WeakPolarHBondContact OD1-CB 2.96Å; D501-R503 PolarHBondContact OD1-N 2.94Å; D501-R503 WeakPolarHBondContact OD2-CD 3.4Å; D501-R503 VanDerWaalsContact OD2-CG 3.22Å; D501-R503 WeakPolarHBondContact OD2-CG 3.43Å; D501-R503 IonicContact OD2-NE 3.06Å; D501-R503 PolarHBondContact OD2-NE 3.01Å
504V83.3Confident81.3Confident4 Ų467.6 Ų67.62%0.02436%0.362CS..EExtended strand (participates in β ladder)trans-107.5104.3-178.9-169.60000110.4L172 F175 M496 V497 M498L172-V504 CarbonylContact C-O 3.56Å; L172-V504 PolarHBondContact N-O 3.11Å; L172-V504 CarbonylContact O-C 3.55Å; L172-V504 WeakPolarHBondContact O-CA 3.48Å; L172-V504 PolarHBondContact O-N 3.44Å; F175-V504 HydrophobicContact CD1-CG1 3.55Å; F175-V504 HydrophobicContact CD2-CG1 4.5Å; F175-V504 HydrophobicContact CD2-CG2 4.25Å; F175-V504 HydrophobicContact CE1-CG1 3.67Å; F175-V504 HydrophobicContact CE2-CG2 4.34Å; F175-V504 HydrophobicContact CG-CG1 3.99Å; F175-V504 HydrophobicContact CG-CG2 4.43Å; F175-V504 HydrophobicContact CZ-CG1 4.22Å; M496-V504 HydrophobicContact CB-CG1 3.84Å; M496-V504 HydrophobicContact CE-CG1 3.8Å; V497-V504 WeakPolarHBondContact O-CA 3.42Å; M498-V504 HydrophobicContact CB-CG2 4.45Å
505S85.9Confident80.7Confident44 Ų4472.6 Ų72.631%0.30839%0.388SS..EExtended strand (participates in β ladder)trans-102.5150.1-177.567.90000112.6L170 M496 V497L170-S505 WeakPolarHBondContact O-CA 3.37Å; M496-S505 WeakPolarHBondContact CA-O 3.37Å; V497-S505 PolarHBondContact N-O 2.89Å; V497-S505 PolarHBondContact O-N 3.02Å
506Y86Confident79.7Confident44 Ų4472.6 Ų72.617%0.17339%0.391CS..EExtended strand (participates in β ladder)trans-83.4109.9171.2-178.9-91.9000110.8L162 V165 L170 G494 R495 M496L162-Y506 HydrophobicContact CD1-CE2 4.37Å; L162-Y506 WeakPolarHBondContact CD1-OH 3.23Å; V165-Y506 HydrophobicContact CG1-CD1 4.35Å; V165-Y506 HydrophobicContact CG1-CD2 4.33Å; V165-Y506 HydrophobicContact CG1-CG 4.01Å; V165-Y506 HydrophobicContact CG2-CD2 3.9Å; V165-Y506 HydrophobicContact CG2-CG 4.15Å; L170-Y506 HydrophobicContact CD2-CD1 3.89Å; L170-Y506 HydrophobicContact CD2-CG 4.35Å; L170-Y506 PolarHBondContact O-N 3.38Å; G494-Y506 WeakPolarHBondContact CA-OH 3.49Å; R495-Y506 WeakPolarHBondContact O-CA 3.43Å; M496-Y506 HydrophobicContact SD-CD2 3.86Å; M496-Y506 HydrophobicContact SD-CG 4.43Å
507E85.7Confident78.9Confident68 Ų6880.2 Ų80.232%0.31843%0.426SS..EExtended strand (participates in β ladder)trans-94.2136.6172.3-69-172.5165.800111.6G494 R495 V497G494-E507 CarbonylContact C-O 3.53Å; G494-E507 WeakPolarHBondContact CA-O 3.5Å; R495-E507 HydrophobicContact CG-CB 4Å; R495-E507 IonicContact CZ-OE2 3.91Å; R495-E507 PolarHBondContact N-O 3.26Å; R495-E507 IonicContact NE-OE2 3.75Å; R495-E507 PolarHBondContact NE-OE2 3.47Å; R495-E507 IonicContact NH2-OE2 3.92Å; R495-E507 PolarHBondContact NH2-OE2 2.95Å; R495-E507 PolarHBondContact O-N 3.12Å; V497-E507 HydrophobicContact CB-CG 4.17Å; V497-E507 HydrophobicContact CG2-CB 4.35Å; V497-E507 HydrophobicContact CG2-CG 3.97Å; V497-E507 WeakPolarHBondContact CG2-OE2 3.48Å
508S84.2Confident78.5Confident64 Ų6483.5 Ų83.545%0.44844%0.443SS..EExtended strand (participates in β ladder)trans-69.1138.5161.9-168.20000110.1R510S508-R510 PolarHBondContact O-N 3.08Å; S508-R510 PolarHBondContact OG-N 2.97Å
509R85.5Confident78.5Confident10 Ų1080 Ų804%0.03843%0.426CS..SBendtrans-75.1-2.2171.1-79.3-176.967.5-137.88.6112.9E488 T490 R492 K493 R495 E511 L519 N520E488-R509 PolarHBondContact O-NH2 3.36Å; E488-R509 WeakPolarHBondContact OE1-CD 3.27Å; E488-R509 IonicContact OE1-CZ 3.44Å; E488-R509 IonicContact OE1-NE 2.69Å; E488-R509 PolarHBondContact OE1-NE 3.29Å; E488-R509 IonicContact OE1-NH1 2.74Å; E488-R509 IonicContact OE1-NH2 3.26Å; E488-R509 IonicContact OE2-NE 2.61Å; T490-R509 PolarHBondContact O-NH1 3.1Å; R492-R509 WeakPolarHBondContact O-CD 3.3Å; R492-R509 PolarHBondContact O-NH1 3.13Å; K493-R509 PolarHBondContact O-N 3.49Å; R495-R509 HydrophobicContact CG-CG 4.34Å; R509-E511 PolarHBondContact O-N 3.4Å; R509-L519 HydrophobicContact CB-CD2 3.77Å; R509-L519 WeakPolarHBondContact O-CD2 3.43Å; R509-N520 PolarHBondContact NH2-OD1 2.95Å
510R75.5Confident78.6Confident175 Ų17580 Ų8066%0.6642%0.418SS*.  trans-73.8116.4177.5-67.9-179.8176.6-175.8-1.8110.8S508 L516S508-R510 PolarHBondContact O-N 3.08Å; S508-R510 PolarHBondContact OG-N 2.97Å; R510-L516 HydrophobicContact CG-CD1 4.32Å
511E75.8Confident78.8Confident66 Ų6674.5 Ų74.531%0.30839%0.389SS..BIsolated β-bridgetrans-85147.2164.2-61.4178.5175.500108.7R509 D513 V514 L519 R526R509-E511 PolarHBondContact O-N 3.4Å; E511-D513 PolarHBondContact O-N 3.35Å; E511-D513 VanDerWaalsContact O-N 3.11Å; E511-V514 HydrophobicContact CB-CB 4.34Å; E511-V514 HydrophobicContact CB-CG2 4.45Å; E511-V514 PolarHBondContact O-N 2.8Å; E511-L519 HydrophobicContact CG-CD1 4.35Å; E511-R526 IonicContact OE1-CZ 3.82Å; E511-R526 IonicContact OE1-NH1 3.88Å; E511-R526 PolarHBondContact OE1-NH1 3.27Å; E511-R526 IonicContact OE1-NH2 2.72Å; E511-R526 PolarHBondContact OE1-NH2 2.86Å; E511-R526 IonicContact OE2-CZ 2.74Å; E511-R526 IonicContact OE2-NH1 2.78Å; E511-R526 PolarHBondContact OE2-NH1 2.77Å; E511-R526 IonicContact OE2-NH2 3.69Å; E511-R526 PolarHBondContact OE2-NH2 2.75Å
512S63.8Low79.2Confident122 Ų12270.5 Ų70.585%0.85337%0.368SS*.THydrogen-bonded Turntrans-55.4-32.3-177.147.40000113.3
513D70.4Confident79.8Confident147 Ų14768.9 Ų68.979%0.78635%0.35SS*.THydrogen-bonded Turntrans-100-2.5-167.5-52.8-0.2000112.1E511E511-D513 PolarHBondContact O-N 3.35Å; E511-D513 VanDerWaalsContact O-N 3.11Å
514V73.2Confident80.3Confident22 Ų2265 Ų6513%0.13334%0.336CS..BIsolated β-bridgetrans-136.3113.1-168-174.10000111.5E511 L518 L519 T522E511-V514 HydrophobicContact CB-CB 4.34Å; E511-V514 HydrophobicContact CB-CG2 4.45Å; E511-V514 PolarHBondContact O-N 2.8Å; V514-L518 HydrophobicContact CG1-CB 4.13Å; V514-L518 HydrophobicContact CG1-CD2 4.5Å; V514-L518 HydrophobicContact CG1-CG 4.48Å; V514-L519 HydrophobicContact CG1-CB 4.32Å; V514-L519 HydrophobicContact CG1-CD1 4.37Å; V514-T522 WeakPolarHBondContact CG1-OG1 3.35Å; V514-T522 HydrophobicContact CG2-CG2 4.47Å
515N71.8Confident80.7Confident107 Ų10770 Ų7057%0.57236%0.36SS*.  trans-57.4139.6170.8-175.41.9000110.5E517 L518 L519N515-E517 PolarHBondContact O-N 3.17Å; N515-E517 VanDerWaalsContact O-N 3.11Å; N515-L518 WeakPolarHBondContact O-CA 3.1Å; N515-L518 WeakPolarHBondContact O-CB 3.44Å; N515-L518 PolarHBondContact O-N 2.92Å; N515-L519 PolarHBondContact O-N 2.96Å
516L67.1Low81.1Confident43 Ų4370.5 Ų70.523%0.22536%0.355CS..Hα-helixtrans-55.6-32.6-174.8-172.168.1000113.3K493 R510 L518 L519K493-L516 HydrophobicContact CB-CD2 4.45Å; K493-L516 HydrophobicContact CG-CD2 4.09Å; R510-L516 HydrophobicContact CG-CD1 4.32Å; L516-L518 VanDerWaalsContact C-N 3.32Å; L516-L518 PolarHBondContact O-N 2.78Å; L516-L519 HydrophobicContact CD1-CD2 4.05Å; L516-L519 WeakPolarHBondContact O-CB 3.46Å; L516-L519 PolarHBondContact O-N 3.42Å
517E68.1Low81.6Confident165 Ų16568.4 Ų68.477%0.77135%0.347SS*.Hα-helixtrans-65.4-34174.5-61.7-178.8165.200112.7N515N515-E517 PolarHBondContact O-N 3.17Å; N515-E517 VanDerWaalsContact O-N 3.11Å
518L80.4Confident82Confident90 Ų9066.1 Ų66.147%0.47134%0.336SS..Hα-helixtrans-84.7-21.2178.8-164.769.5000112.2V514 N515 L516 N520 L521 T522V514-L518 HydrophobicContact CG1-CB 4.13Å; V514-L518 HydrophobicContact CG1-CD2 4.5Å; V514-L518 HydrophobicContact CG1-CG 4.48Å; N515-L518 WeakPolarHBondContact O-CA 3.1Å; N515-L518 WeakPolarHBondContact O-CB 3.44Å; N515-L518 PolarHBondContact O-N 2.92Å; L516-L518 VanDerWaalsContact C-N 3.32Å; L516-L518 PolarHBondContact O-N 2.78Å; L518-N520 VanDerWaalsContact C-N 3.31Å; L518-N520 PolarHBondContact O-N 2.69Å; L518-L521 HydrophobicContact CD1-CB 4.26Å; L518-L521 HydrophobicContact CD1-CD1 3.97Å; L518-L521 CarbonylContact O-C 3.51Å; L518-L521 WeakPolarHBondContact O-CA 3.3Å; L518-L521 VanDerWaalsContact O-CB 3.31Å; L518-L521 WeakPolarHBondContact O-CB 3.22Å; L518-L521 PolarHBondContact O-N 3.3Å; L518-T522 PolarHBondContact O-N 2.85Å; L518-T522 PolarHBondContact O-OG1 3.16Å
519L84.5Confident82.5Confident4 Ų467.2 Ų67.22%0.02134%0.337CS..Hα-helixtrans-52.5-44.1-175.9-175.974.3000113.5R509 E511 V514 N515 L516 L521 T522 E523R509-L519 HydrophobicContact CB-CD2 3.77Å; R509-L519 WeakPolarHBondContact O-CD2 3.43Å; E511-L519 HydrophobicContact CG-CD1 4.35Å; V514-L519 HydrophobicContact CG1-CB 4.32Å; V514-L519 HydrophobicContact CG1-CD1 4.37Å; N515-L519 PolarHBondContact O-N 2.96Å; L516-L519 HydrophobicContact CD1-CD2 4.05Å; L516-L519 WeakPolarHBondContact O-CB 3.46Å; L516-L519 PolarHBondContact O-N 3.42Å; L519-L521 PolarHBondContact O-N 2.75Å; L519-T522 WeakPolarHBondContact O-CB 3.46Å; L519-T522 PolarHBondContact O-N 3.4Å; L519-T522 VanDerWaalsContact O-N 3.14Å; L519-E523 PolarHBondContact O-N 2.77Å
520N86Confident82.8Confident28 Ų2867.7 Ų67.715%0.1535%0.345CS..Hα-helixtrans-68.3-21178.1-72.4-24.3000112.7M489 T490 R509 L518 K524 I545M489-N520 WeakPolarHBondContact CA-OD1 3.11Å; T490-N520 PolarHBondContact N-OD1 3.12Å; T490-N520 PolarHBondContact O-ND2 2.91Å; T490-N520 PolarHBondContact O-OD1 3.49Å; R509-N520 PolarHBondContact NH2-OD1 2.95Å; L518-N520 VanDerWaalsContact C-N 3.31Å; L518-N520 PolarHBondContact O-N 2.69Å; N520-K524 WeakPolarHBondContact O-CB 3.5Å; N520-K524 PolarHBondContact O-N 3.45Å; N520-I545 HydrophobicContact CB-CD1 4.26Å
521L85.8Confident83.7Confident73 Ų7365.1 Ų65.138%0.38234%0.341SS..Hα-helixtrans-82.1-34.7170.4-69.9166.3000111.7L518 L519 K524 Q525L518-L521 HydrophobicContact CD1-CB 4.26Å; L518-L521 HydrophobicContact CD1-CD1 3.97Å; L518-L521 CarbonylContact O-C 3.51Å; L518-L521 WeakPolarHBondContact O-CA 3.3Å; L518-L521 VanDerWaalsContact O-CB 3.31Å; L518-L521 WeakPolarHBondContact O-CB 3.22Å; L518-L521 PolarHBondContact O-N 3.3Å; L519-L521 PolarHBondContact O-N 2.75Å; L521-K524 HydrophobicContact CD2-CD 4.33Å; L521-K524 WeakPolarHBondContact O-CB 3.3Å; L521-Q525 WeakPolarHBondContact O-CG 3.45Å; L521-Q525 PolarHBondContact O-N 2.92Å
522T89.2Confident84.7Confident22 Ų2262.7 Ų62.714%0.13533%0.329CS..Hα-helixtrans-64.5-49.7171.1-55.90000111.3V514 L518 L519 K524 Q525 R526V514-T522 WeakPolarHBondContact CG1-OG1 3.35Å; V514-T522 HydrophobicContact CG2-CG2 4.47Å; L518-T522 PolarHBondContact O-N 2.85Å; L518-T522 PolarHBondContact O-OG1 3.16Å; L519-T522 WeakPolarHBondContact O-CB 3.46Å; L519-T522 PolarHBondContact O-N 3.4Å; L519-T522 VanDerWaalsContact O-N 3.14Å; T522-K524 VanDerWaalsContact C-N 3.3Å; T522-K524 PolarHBondContact O-N 2.79Å; T522-Q525 CarbonylContact O-C 3.59Å; T522-Q525 WeakPolarHBondContact O-CA 3.04Å; T522-Q525 WeakPolarHBondContact O-CB 3.3Å; T522-Q525 PolarHBondContact O-N 3.48Å; T522-R526 WeakPolarHBondContact O-CG 3.25Å; T522-R526 PolarHBondContact O-N 3.38Å
523E91.7Very high86.2Confident7 Ų759 Ų593%0.03330%0.299CS..Hα-helixtrans-62.6-35.8177.2-76-63.7163.300112.7A487 M489 L519 R526 F527 K532A487-E523 VanDerWaalsContact CA-OE2 3.26Å; A487-E523 WeakPolarHBondContact CA-OE2 3.11Å; M489-E523 HydrophobicContact CG-CB 4.05Å; L519-E523 PolarHBondContact O-N 2.77Å; E523-R526 PolarHBondContact O-N 2.77Å; E523-R526 IonicContact OE1-CZ 2.74Å; E523-R526 IonicContact OE1-NH1 3.41Å; E523-R526 PolarHBondContact OE1-NH1 3.36Å; E523-F527 PolarHBondContact O-N 3.34Å; E523-K532 IonicContact OE1-NZ 3.41Å; E523-K532 PolarHBondContact OE1-NZ 3.48Å; E523-K532 WeakPolarHBondContact OE2-CD 3.25Å; E523-K532 WeakPolarHBondContact OE2-CE 3.2Å; E523-K532 IonicContact OE2-NZ 2.9Å; E523-K532 PolarHBondContact OE2-NZ 3.3Å
524K92.2Very high87.5Confident59 Ų5952.6 Ų52.626%0.25727%0.265SS..Hα-helixtrans-59.4-43.3167.2174.9-136.2168.1-168.30111.6M489 N520 L521 T522 F527 M528 I545 S546 L547M489-K524 HydrophobicContact SD-CB 3.69Å; N520-K524 WeakPolarHBondContact O-CB 3.5Å; N520-K524 PolarHBondContact O-N 3.45Å; L521-K524 HydrophobicContact CD2-CD 4.33Å; L521-K524 WeakPolarHBondContact O-CB 3.3Å; T522-K524 VanDerWaalsContact C-N 3.3Å; T522-K524 PolarHBondContact O-N 2.79Å; K524-F527 PolarHBondContact O-N 2.58Å; K524-M528 HydrophobicContact CG-CG 4.34Å; K524-M528 WeakPolarHBondContact O-CB 3.43Å; K524-M528 WeakPolarHBondContact O-CG 3.31Å; K524-M528 PolarHBondContact O-N 3.31Å; K524-I545 HydrophobicContact CB-CG2 4.46Å; K524-I545 HydrophobicContact CD-CG2 4.49Å; K524-I545 HydrophobicContact CG-CG2 4.08Å; K524-S546 WeakPolarHBondContact CE-O 3.42Å; K524-L547 HydrophobicContact CB-CD2 4.45Å; K524-L547 HydrophobicContact CG-CD2 3.89Å
525Q92.3Very high88.6Confident111 Ų11151.5 Ų51.552%0.51926%0.259SS..Hα-helixtrans-62.6-48.3176.7-72.5173.320.300111.1L521 T522 F527 M528 N529L521-Q525 WeakPolarHBondContact O-CG 3.45Å; L521-Q525 PolarHBondContact O-N 2.92Å; T522-Q525 CarbonylContact O-C 3.59Å; T522-Q525 WeakPolarHBondContact O-CA 3.04Å; T522-Q525 WeakPolarHBondContact O-CB 3.3Å; T522-Q525 PolarHBondContact O-N 3.48Å; Q525-F527 VanDerWaalsContact C-N 3.26Å; Q525-F527 PolarHBondContact O-N 2.85Å; Q525-M528 CarbonylContact O-C 3.52Å; Q525-M528 PolarHBondContact O-N 2.99Å; Q525-N529 WeakPolarHBondContact O-CB 3.49Å; Q525-N529 PolarHBondContact O-N 2.88Å; Q525-N529 PolarHBondContact O-OD1 3.28Å
526R94.1Very high89.7Confident54 Ų5446.4 Ų46.420%0.20423%0.231CC..Hα-helixtrans-52.2-43.8175.6-61.9-174.3172143.20.8112.2E511 T522 E523 G530 E531 K532E511-R526 IonicContact OE1-CZ 3.82Å; E511-R526 IonicContact OE1-NH1 3.88Å; E511-R526 PolarHBondContact OE1-NH1 3.27Å; E511-R526 IonicContact OE1-NH2 2.72Å; E511-R526 PolarHBondContact OE1-NH2 2.86Å; E511-R526 IonicContact OE2-CZ 2.74Å; E511-R526 IonicContact OE2-NH1 2.78Å; E511-R526 PolarHBondContact OE2-NH1 2.77Å; E511-R526 IonicContact OE2-NH2 3.69Å; E511-R526 PolarHBondContact OE2-NH2 2.75Å; T522-R526 WeakPolarHBondContact O-CG 3.25Å; T522-R526 PolarHBondContact O-N 3.38Å; E523-R526 PolarHBondContact O-N 2.77Å; E523-R526 IonicContact OE1-CZ 2.74Å; E523-R526 IonicContact OE1-NH1 3.41Å; E523-R526 PolarHBondContact OE1-NH1 3.36Å; R526-G530 PolarHBondContact O-N 3.49Å; R526-E531 HydrophobicContact CB-CB 4.35Å; R526-E531 WeakPolarHBondContact CG-OE2 3.37Å; R526-E531 PolarHBondContact O-N 2.93Å; R526-K532 HydrophobicContact CB-CD 4.25Å; R526-K532 HydrophobicContact CB-CG 4.23Å; R526-K532 PolarHBondContact O-N 3.23Å
527F95.5Very high90.8Very high0 Ų044.4 Ų44.40%022%0.221CC..Hα-helixtrans-67-41.3174.9-178.2-100.1000113.8C148 V149 V150 A487 E523 K524 Q525 G530 K532 A535 L547 N555C148-F527 HydrophobicContact CB-CE2 4.13Å; C148-F527 HydrophobicContact CB-CZ 4.04Å; V149-F527 WeakPolarHBondContact O-CE2 3.41Å; V150-F527 HydrophobicContact CG2-CE1 4.14Å; V150-F527 HydrophobicContact CG2-CE2 4.41Å; V150-F527 HydrophobicContact CG2-CZ 3.64Å; A487-F527 HydrophobicContact CB-CB 3.95Å; E523-F527 PolarHBondContact O-N 3.34Å; K524-F527 PolarHBondContact O-N 2.58Å; Q525-F527 VanDerWaalsContact C-N 3.26Å; Q525-F527 PolarHBondContact O-N 2.85Å; F527-G530 PolarHBondContact O-N 3.18Å; F527-K532 WeakPolarHBondContact CA-O 3.19Å; F527-K532 WeakPolarHBondContact CD2-O 3.49Å; F527-A535 HydrophobicContact CD2-CB 3.61Å; F527-A535 HydrophobicContact CE2-CB 3.71Å; F527-A535 HydrophobicContact CG-CB 4.03Å; F527-A535 HydrophobicContact CZ-CB 4.22Å; F527-L547 HydrophobicContact CD1-CD2 3.83Å; F527-L547 HydrophobicContact CE1-CB 4.14Å; F527-L547 HydrophobicContact CE1-CD2 4.27Å; F527-N555 PolarHBondContact O-ND2 3.09Å
528M94.4Very high91.8Very high19 Ų1936.7 Ų36.79%0.09419%0.185CC..Hα-helixtrans-77.5-24.5-178.2-68.6-65.3-62.500113.5K524 Q525 Q548 D550 A553 N555K524-M528 HydrophobicContact CG-CG 4.34Å; K524-M528 WeakPolarHBondContact O-CB 3.43Å; K524-M528 WeakPolarHBondContact O-CG 3.31Å; K524-M528 PolarHBondContact O-N 3.31Å; Q525-M528 CarbonylContact O-C 3.52Å; Q525-M528 PolarHBondContact O-N 2.99Å; M528-Q548 WeakPolarHBondContact CE-O 3.46Å; M528-D550 HydrophobicContact CE-CB 3.99Å; M528-A553 HydrophobicContact CE-CB 3.62Å; M528-N555 WeakPolarHBondContact O-CB 3.49Å; M528-N555 PolarHBondContact O-N 2.8Å
529N94.4Very high91.6Very high88 Ų8835.1 Ų35.147%0.47118%0.175SC..Hα-helixtrans-74.7-36168.2-66.9-9000110.6Q525 E531Q525-N529 WeakPolarHBondContact O-CB 3.49Å; Q525-N529 PolarHBondContact O-N 2.88Å; Q525-N529 PolarHBondContact O-OD1 3.28Å; N529-E531 HydrophobicContact CB-CG 4.23Å; N529-E531 WeakPolarHBondContact CB-OE1 3.44Å; N529-E531 PolarHBondContact ND2-OE1 3.48Å
530G93.2Very high91Very high20 Ų2037.6 Ų37.621%0.20620%0.197CC..THydrogen-bonded Turntrans100.111.9-179.500000114.1R526 F527 K532 L533R526-G530 PolarHBondContact O-N 3.49Å; F527-G530 PolarHBondContact O-N 3.18Å; G530-K532 VanDerWaalsContact C-N 3.25Å; G530-L533 VanDerWaalsContact O-CD2 3.3Å; G530-L533 WeakPolarHBondContact O-CD2 3.31Å
531E94.5Very high90.4Very high120 Ų12036.3 Ų36.356%0.56119%0.19SC*.SBendtrans-60.6-39.1169-61.9155.7-128.800110.5R526 N529R526-E531 HydrophobicContact CB-CB 4.35Å; R526-E531 WeakPolarHBondContact CG-OE2 3.37Å; R526-E531 PolarHBondContact O-N 2.93Å; N529-E531 HydrophobicContact CB-CG 4.23Å; N529-E531 WeakPolarHBondContact CB-OE1 3.44Å; N529-E531 PolarHBondContact ND2-OE1 3.48Å
532K95.7Very high89.2Confident16 Ų1633.1 Ų33.17%0.0717%0.173CC..  trans-117.3128.8174.1-63.8-172178.8-174.30109.9P483 S484 V486 A487 E523 R526 F527 G530P483-K532 WeakPolarHBondContact O-CE 3.48Å; P483-K532 PolarHBondContact O-NZ 2.98Å; S484-K532 VanDerWaalsContact O-CE 3.26Å; S484-K532 WeakPolarHBondContact O-CE 3.37Å; V486-K532 PolarHBondContact O-NZ 3.02Å; A487-K532 HydrophobicContact CB-CB 4.03Å; A487-K532 HydrophobicContact CB-CD 3.93Å; E523-K532 IonicContact OE1-NZ 3.41Å; E523-K532 PolarHBondContact OE1-NZ 3.48Å; E523-K532 WeakPolarHBondContact OE2-CD 3.25Å; E523-K532 WeakPolarHBondContact OE2-CE 3.2Å; E523-K532 IonicContact OE2-NZ 2.9Å; E523-K532 PolarHBondContact OE2-NZ 3.3Å; R526-K532 HydrophobicContact CB-CD 4.25Å; R526-K532 HydrophobicContact CB-CG 4.23Å; R526-K532 PolarHBondContact O-N 3.23Å; F527-K532 WeakPolarHBondContact CA-O 3.19Å; F527-K532 WeakPolarHBondContact CD2-O 3.49Å; G530-K532 VanDerWaalsContact C-N 3.25Å
533L96.5Very high88.2Confident43 Ų4336 Ų3623%0.22520%0.195CC..SBendtrans-97.1-11.3-173.2-56.5-172.9000114V143 C148 V149 G530 R557V143-L533 HydrophobicContact CG1-CB 4.47Å; V143-L533 HydrophobicContact CG1-CD1 3.91Å; V143-L533 HydrophobicContact CG2-CB 4.34Å; C148-L533 WeakPolarHBondContact CA-O 3.38Å; C148-L533 WeakPolarHBondContact CB-O 3.24Å; V149-L533 PolarHBondContact N-O 3.17Å; G530-L533 VanDerWaalsContact O-CD2 3.3Å; G530-L533 WeakPolarHBondContact O-CD2 3.31Å; L533-R557 VanDerWaalsContact CD2-NH1 3.26Å
534I97.2Very high87.2Confident13 Ų1339.5 Ų39.57%0.06723%0.232CC..EExtended strand (participates in β ladder)trans-124.2134.2-179.1-55.3156.8000107.7V143 V149 I151 L480 A487V143-I534 HydrophobicContact CG2-CD1 4.2Å; V143-I534 HydrophobicContact CG2-CG1 3.8Å; V149-I534 HydrophobicContact CB-CB 4.49Å; V149-I534 HydrophobicContact CB-CG1 4.24Å; V149-I534 HydrophobicContact CB-CG2 4.15Å; V149-I534 HydrophobicContact CG1-CG2 4.35Å; V149-I534 CarbonylContact O-C 3.58Å; V149-I534 WeakPolarHBondContact O-CA 3.47Å; I151-I534 HydrophobicContact CD1-CG2 4.23Å; L480-I534 HydrophobicContact CB-CD1 4.3Å; L480-I534 HydrophobicContact CD1-CG2 4.06Å; L480-I534 HydrophobicContact CD2-CD1 4.15Å; A487-I534 PolarHBondContact N-O 3.35Å
535A95.5Very high86.8Confident0 Ų037.2 Ų37.20%022%0.223CC..EExtended strand (participates in β ladder)trans-121.7143.9173.900000110.9V149 V150 I151 A487 M489 F527V149-A535 PolarHBondContact O-N 3.38Å; V150-A535 CarbonylContact C-O 3.59Å; V150-A535 WeakPolarHBondContact CA-O 3.46Å; V150-A535 HydrophobicContact CG2-CB 4.42Å; I151-A535 PolarHBondContact N-O 2.97Å; A487-A535 HydrophobicContact CB-CB 4.13Å; A487-A535 WeakPolarHBondContact O-CA 3.31Å; M489-A535 HydrophobicContact CE-CB 3.49Å; M489-A535 VanDerWaalsContact CE-CB 3.49Å; F527-A535 HydrophobicContact CD2-CB 3.61Å; F527-A535 HydrophobicContact CE2-CB 3.71Å; F527-A535 HydrophobicContact CG-CB 4.03Å; F527-A535 HydrophobicContact CZ-CB 4.22Å
536I94.8Very high86.6Confident0 Ų033.1 Ų33.10%021%0.207CC..EExtended strand (participates in β ladder)trans-115129169.3-59.3177.5000108.2I151 L153 L473 L476 I477 V486 A487 M489I151-I536 HydrophobicContact CB-CG1 4.29Å; I151-I536 HydrophobicContact CD1-CG1 4.44Å; I151-I536 WeakPolarHBondContact O-CA 3.45Å; L153-I536 HydrophobicContact CD1-CG2 4.11Å; L473-I536 HydrophobicContact CD1-CD1 4.08Å; L473-I536 HydrophobicContact CD1-CG2 3.86Å; L476-I536 HydrophobicContact CD2-CD1 3.86Å; L476-I536 HydrophobicContact CG-CD1 4.08Å; I477-I536 HydrophobicContact CD1-CD1 4.43Å; I477-I536 HydrophobicContact CG1-CD1 3.65Å; V486-I536 HydrophobicContact CG1-CB 4.49Å; V486-I536 HydrophobicContact CG1-CD1 3.65Å; V486-I536 HydrophobicContact CG1-CG1 3.69Å; A487-I536 PolarHBondContact O-N 3.18Å; M489-I536 WeakPolarHBondContact CA-O 3.45Å; M489-I536 PolarHBondContact N-O 2.67Å
537I91.6Very high86.6Confident0 Ų030.6 Ų30.60%020%0.197CC..EExtended strand (participates in β ladder)trans-121.8133.517951.9173.8000111.2V150 I151 L153 M489 A541 L547 Q576 R579V150-I537 HydrophobicContact CG1-CD1 3.61Å; V150-I537 HydrophobicContact CG1-CG1 3.87Å; I151-I537 PolarHBondContact O-N 3.41Å; L153-I537 PolarHBondContact N-O 2.99Å; L153-I537 VanDerWaalsContact O-O 3.13Å; M489-I537 HydrophobicContact CB-CG2 4.05Å; M489-I537 HydrophobicContact CE-CG2 4.04Å; M489-I537 HydrophobicContact SD-CG2 4.45Å; I537-A541 HydrophobicContact CB-CB 4.02Å; I537-A541 HydrophobicContact CG2-CB 3.89Å; I537-L547 HydrophobicContact CG2-CD1 3.73Å; I537-Q576 HydrophobicContact CD1-CG 3.64Å; I537-Q576 HydrophobicContact CG1-CG 4.36Å; I537-Q576 PolarHBondContact O-NE2 3.21Å; I537-R579 HydrophobicContact CD1-CG 4.44Å
538S87.6Confident86.5Confident4 Ų431 Ų313%0.02820%0.199CC..  trans-106-178.7168.469.50000111.5L153 M489 T490 A540 A541 S542L153-S538 WeakPolarHBondContact O-CA 3.46Å; M489-S538 PolarHBondContact O-N 3.34Å; T490-S538 WeakPolarHBondContact CA-OG 3.17Å; T490-S538 WeakPolarHBondContact CB-OG 3.44Å; S538-A540 PolarHBondContact O-N 2.89Å; S538-A540 VanDerWaalsContact O-N 3.14Å; S538-A541 PolarHBondContact O-N 3.38Å; S538-S542 PolarHBondContact O-N 2.7Å
539E76.5Confident86.5Confident56 Ų5630.2 Ų30.226%0.26220%0.195SC..G310 helixtrans-54.9-32.9177-171.4166.8151.500112.9A541 S542 R572E539-A541 PolarHBondContact O-N 2.68Å; E539-S542 VanDerWaalsContact O-CB 3.31Å; E539-S542 WeakPolarHBondContact O-CB 3.42Å; E539-S542 PolarHBondContact O-N 2.87Å; E539-R572 VanDerWaalsContact CD-NH1 3.28Å; E539-R572 IonicContact OE1-CZ 3.73Å; E539-R572 IonicContact OE1-NE 3.56Å; E539-R572 PolarHBondContact OE1-NE 3.11Å; E539-R572 IonicContact OE1-NH1 3.01Å; E539-R572 PolarHBondContact OE1-NH1 3.37Å; E539-R572 VanDerWaalsContact OE1-NH1 3.08Å; E539-R572 IonicContact OE1-NH2 3.93Å; E539-R572 WeakPolarHBondContact OE2-CD 3.49Å; E539-R572 IonicContact OE2-CZ 3.25Å; E539-R572 IonicContact OE2-NE 2.69Å; E539-R572 IonicContact OE2-NH1 3.19Å; E539-R572 PolarHBondContact OE2-NH1 3.21Å
540A72.9Confident86.4Confident57 Ų5726.3 Ų26.347%0.47117%0.174SC..G310 helixtrans-58.1-29.9174.500000113.6S538S538-A540 PolarHBondContact O-N 2.89Å; S538-A540 VanDerWaalsContact O-N 3.14Å
541A72.5Confident86.4Confident0 Ų032.7 Ų32.70%019%0.192CC..G310 helixtrans-93.9-0.2176.900000113.6M489 I537 S538 E539 S543 I545M489-A541 HydrophobicContact CB-CB 3.98Å; M489-A541 VanDerWaalsContact O-CB 3.27Å; M489-A541 WeakPolarHBondContact O-CB 3.37Å; I537-A541 HydrophobicContact CB-CB 4.02Å; I537-A541 HydrophobicContact CG2-CB 3.89Å; S538-A541 PolarHBondContact O-N 3.38Å; E539-A541 PolarHBondContact O-N 2.68Å; A541-S543 PolarHBondContact O-N 3.16Å; A541-I545 HydrophobicContact CB-CD1 3.91Å
542S61.1Low86.3Confident6 Ų636.6 Ų36.64%0.04220%0.202CC..SBendtrans-78.8-3.3-179.6-68.20000113.8S538 E539 R579S538-S542 PolarHBondContact O-N 2.7Å; E539-S542 VanDerWaalsContact O-CB 3.31Å; E539-S542 WeakPolarHBondContact O-CB 3.42Å; E539-S542 PolarHBondContact O-N 2.87Å; S542-R579 PolarHBondContact O-NE 3.47Å; S542-R579 PolarHBondContact O-NH2 3.25Å
543S68.4Low86Confident84 Ų8436.8 Ų36.859%0.58721%0.206SC*.SBendtrans-118.3163.3166.284.10000110.9A541 I545A541-S543 PolarHBondContact O-N 3.16Å; S543-I545 PolarHBondContact O-N 3.19Å
544G71.3Confident85.9Confident79 Ų7938.5 Ų38.581%0.81423%0.227SC*.SBendtrans67.2-42.4176.500000118
545I82.8Confident85.8Confident12 Ų1238.1 Ų38.16%0.06223%0.225CC..  trans-83.3157.9-167.3-66.2-180000112.1M489 N520 K524 A541 S543 L547 R579M489-I545 HydrophobicContact SD-CD1 4.25Å; M489-I545 HydrophobicContact SD-CG2 4.07Å; N520-I545 HydrophobicContact CB-CD1 4.26Å; K524-I545 HydrophobicContact CB-CG2 4.46Å; K524-I545 HydrophobicContact CD-CG2 4.49Å; K524-I545 HydrophobicContact CG-CG2 4.08Å; A541-I545 HydrophobicContact CB-CD1 3.91Å; S543-I545 PolarHBondContact O-N 3.19Å; I545-L547 HydrophobicContact CG2-CD1 4.34Å; I545-L547 HydrophobicContact CG2-CD2 3.94Å; I545-L547 HydrophobicContact CG2-CG 3.91Å; I545-R579 VanDerWaalsContact O-CD 3.24Å; I545-R579 WeakPolarHBondContact O-CD 3.34Å; I545-R579 PolarHBondContact O-NH1 3.13Å
546S89.2Confident85.7Confident25 Ų2542.1 Ų42.118%0.17524%0.244CC..  trans-148.5127.4179.8-139.10000109.6K524 Q548 R582K524-S546 WeakPolarHBondContact CE-O 3.42Å; S546-Q548 PolarHBondContact OG-OE1 3.34Å; S546-R582 PolarHBondContact OG-NE 3.11Å
547L93.4Very high85.8Confident0 Ų047.2 Ų47.20%026%0.263CS..  trans-132.910.4-166.5-59.7176.8000113.4V150 M489 K524 F527 I537 I545 R559 R579 T580V150-L547 HydrophobicContact CG1-CD1 4.15Å; V150-L547 HydrophobicContact CG2-CD1 4.48Å; M489-L547 HydrophobicContact CE-CD1 3.91Å; M489-L547 HydrophobicContact CE-CD2 3.82Å; M489-L547 HydrophobicContact SD-CD1 4.43Å; M489-L547 HydrophobicContact SD-CD2 3.97Å; K524-L547 HydrophobicContact CB-CD2 4.45Å; K524-L547 HydrophobicContact CG-CD2 3.89Å; F527-L547 HydrophobicContact CD1-CD2 3.83Å; F527-L547 HydrophobicContact CE1-CB 4.14Å; F527-L547 HydrophobicContact CE1-CD2 4.27Å; I537-L547 HydrophobicContact CG2-CD1 3.73Å; I545-L547 HydrophobicContact CG2-CD1 4.34Å; I545-L547 HydrophobicContact CG2-CD2 3.94Å; I545-L547 HydrophobicContact CG2-CG 3.91Å; L547-R559 PolarHBondContact O-NE 2.78Å; L547-R579 WeakPolarHBondContact CA-O 3.33Å; L547-R579 PolarHBondContact N-O 2.77Å; L547-T580 HydrophobicContact CB-CG2 4.27Å
548Q93.1Very high85.9Confident10 Ų1051.1 Ų51.15%0.04728%0.278CS..SBendtrans-57.3163.6174.871.3-79.82.100112.3M528 S546 D550 R559 R579 R582 Q585M528-Q548 WeakPolarHBondContact CE-O 3.46Å; S546-Q548 PolarHBondContact OG-OE1 3.34Å; Q548-D550 HydrophobicContact CG-CB 3.95Å; Q548-D550 PolarHBondContact NE2-OD2 2.88Å; Q548-D550 PolarHBondContact O-N 2.93Å; Q548-R559 PolarHBondContact O-NH2 3.11Å; Q548-R579 PolarHBondContact N-O 2.9Å; Q548-R582 HydrophobicContact CB-CB 3.99Å; Q548-R582 HydrophobicContact CB-CG 4.35Å; Q548-R582 HydrophobicContact CG-CB 3.77Å; Q548-R582 HydrophobicContact CG-CG 4.3Å; Q548-Q585 HydrophobicContact CB-CB 4.28Å; Q548-Q585 HydrophobicContact CG-CB 4.43Å
549A94.3Very high86.4Confident1 Ų151 Ų511%0.00828%0.277CS..  trans-74.469.7166.100000110.2R559 Q585 V586A549-R559 HydrophobicContact CB-CG 4.47Å; A549-Q585 CarbonylContact O-C 3.59Å; A549-Q585 VanDerWaalsContact O-CA 3.28Å; A549-Q585 WeakPolarHBondContact O-CA 3.29Å; A549-V586 PolarHBondContact O-N 3.09Å
550D92.9Very high87.3Confident7 Ų748.5 Ų48.54%0.03727%0.265CS..BIsolated β-bridgetrans-66.9133.6-174.7-159.4-57.7000111.5M528 Q548 R552 A553 N584M528-D550 HydrophobicContact CE-CB 3.99Å; Q548-D550 HydrophobicContact CG-CB 3.95Å; Q548-D550 PolarHBondContact NE2-OD2 2.88Å; Q548-D550 PolarHBondContact O-N 2.93Å; D550-R552 PolarHBondContact O-N 3.49Å; D550-R552 WeakPolarHBondContact OD1-CB 3.48Å; D550-R552 IonicContact OD1-CZ 3.81Å; D550-R552 PolarHBondContact OD1-N 3.05Å; D550-R552 IonicContact OD1-NE 2.75Å; D550-R552 PolarHBondContact OD1-NE 2.76Å; D550-R552 IonicContact OD1-NH2 3.63Å; D550-R552 IonicContact OD2-CZ 3.29Å; D550-R552 IonicContact OD2-NE 3.11Å; D550-R552 IonicContact OD2-NH2 2.66Å; D550-R552 PolarHBondContact OD2-NH2 2.88Å; D550-A553 HydrophobicContact CB-CB 4.26Å; D550-A553 PolarHBondContact O-N 2.98Å; D550-N584 PolarHBondContact OD1-ND2 2.87Å
551R92.1Very high88.3Confident154 Ų15445.8 Ų45.858%0.58124%0.243SC*.THydrogen-bonded Turntrans-58.7-19.1176.7-71.6160.8175.6-99.8-2.8113.9Q556 N584 Q585 V586R551-Q556 PolarHBondContact O-NE2 3.14Å; R551-N584 WeakPolarHBondContact CD-OD1 3.08Å; R551-N584 WeakPolarHBondContact CG-O 3.32Å; R551-N584 PolarHBondContact N-O 3.31Å; R551-Q585 PolarHBondContact NE-O 3.12Å; R551-V586 HydrophobicContact CB-CG2 4.25Å; R551-V586 HydrophobicContact CG-CG2 3.47Å; R551-V586 VanDerWaalsContact CG-CG2 3.47Å
552R92Very high89.3Confident201 Ų20145.8 Ų45.876%0.75824%0.243SC*.THydrogen-bonded Turntrans-91.2-7.3178.5-61.1166.9-63.41723.1113.9D550 N584D550-R552 PolarHBondContact O-N 3.49Å; D550-R552 WeakPolarHBondContact OD1-CB 3.48Å; D550-R552 IonicContact OD1-CZ 3.81Å; D550-R552 PolarHBondContact OD1-N 3.05Å; D550-R552 IonicContact OD1-NE 2.75Å; D550-R552 PolarHBondContact OD1-NE 2.76Å; D550-R552 IonicContact OD1-NH2 3.63Å; D550-R552 IonicContact OD2-CZ 3.29Å; D550-R552 IonicContact OD2-NE 3.11Å; D550-R552 IonicContact OD2-NH2 2.66Å; D550-R552 PolarHBondContact OD2-NH2 2.88Å; R552-N584 PolarHBondContact NE-ND2 2.89Å
553A91.4Very high90.6Very high20 Ų2045.5 Ų45.517%0.16524%0.241CC..SBendtrans-101156.4-179.600000111.2M528 D550 Q556M528-A553 HydrophobicContact CE-CB 3.62Å; D550-A553 HydrophobicContact CB-CB 4.26Å; D550-A553 PolarHBondContact O-N 2.98Å; A553-Q556 VanDerWaalsContact O-CG 3.25Å; A553-Q556 WeakPolarHBondContact O-CG 3.28Å; A553-Q556 PolarHBondContact O-NE2 3.14Å
554A93.6Very high91.7Very high80 Ų8041.5 Ų41.566%0.66121%0.213SC*.SBendtrans-69.5-43.2175.400000111.6Q556A554-Q556 PolarHBondContact O-N 3.24Å
555N94.5Very high92.4Very high4 Ų438 Ų382%0.02118%0.175CC..  trans-79.587178.7-174.90.1000112.2C148 F527 M528 R557 R559C148-N555 PolarHBondContact SG-ND2 2.87Å; C148-N555 PolarHBondContact SG-OD1 3.08Å; F527-N555 PolarHBondContact O-ND2 3.09Å; M528-N555 WeakPolarHBondContact O-CB 3.49Å; M528-N555 PolarHBondContact O-N 2.8Å; N555-R557 WeakPolarHBondContact OD1-CB 3.4Å; N555-R557 PolarHBondContact OD1-N 3.24Å; N555-R559 VanDerWaalsContact O-CZ 3.3Å; N555-R559 PolarHBondContact O-NH1 3.37Å; N555-R559 PolarHBondContact O-NH2 2.9Å; N555-R559 PolarHBondContact OD1-NH1 3.5Å; N555-R559 VanDerWaalsContact OD1-NH1 3.14Å
556Q94.8Very high91.9Very high85 Ų8538.4 Ų38.440%0.39718%0.177SC..  trans-92.45.7178.3-58.8-172.68.300114.3R551 A553 A554 V586R551-Q556 PolarHBondContact O-NE2 3.14Å; A553-Q556 VanDerWaalsContact O-CG 3.25Å; A553-Q556 WeakPolarHBondContact O-CG 3.28Å; A553-Q556 PolarHBondContact O-NE2 3.14Å; A554-Q556 PolarHBondContact O-N 3.24Å; Q556-V586 HydrophobicContact CB-CG2 4.11Å; Q556-V586 HydrophobicContact CG-CG2 4.11Å
557R95.6Very high90.8Very high107 Ų10737.4 Ų37.440%0.40417%0.17SC..PPolyproline II helixtrans-56.4139.7179.6-67.9178.9166112.7-7.7111.8G146 C148 L533 N555 R559G146-R557 VanDerWaalsContact O-CD 3.25Å; G146-R557 WeakPolarHBondContact O-CD 3.17Å; G146-R557 VanDerWaalsContact O-CG 3.29Å; G146-R557 WeakPolarHBondContact O-CG 3.41Å; C148-R557 HydrophobicContact CB-CB 4.25Å; C148-R557 WeakPolarHBondContact SG-CD 3.3Å; L533-R557 VanDerWaalsContact CD2-NH1 3.26Å; N555-R557 WeakPolarHBondContact OD1-CB 3.4Å; N555-R557 PolarHBondContact OD1-N 3.24Å; R557-R559 PolarHBondContact O-N 3.23Å; R557-R559 PolarHBondContact O-NH1 2.78Å
558R95.1Very high89.3Confident82 Ų8243.3 Ų43.331%0.30919%0.193SC..PPolyproline II helixtrans-55.8132.5178.4-171177.8-173.5-174.82110G56 K147 C148 S587 A588 P589G56-R558 PolarHBondContact O-NH2 3.31Å; K147-R558 WeakPolarHBondContact CB-O 3.42Å; C148-R558 PolarHBondContact N-O 2.96Å; R558-S587 WeakPolarHBondContact CA-OG 3.38Å; R558-A588 PolarHBondContact NE-O 3.18Å; R558-A588 PolarHBondContact NH2-O 3.07Å; R558-P589 PolarHBondContact NH2-O 2.99Å
559R96.4Very high87.8Confident2 Ų244.5 Ų44.51%0.00820%0.202CC..EExtended strand (participates in β ladder)trans-82.1129.2-179.8-53.9-54.4-168-126.56111C148 L547 Q548 A549 N555 R557 P589 K590C148-R559 CarbonylContact O-C 3.55Å; C148-R559 WeakPolarHBondContact O-CA 3.48Å; L547-R559 PolarHBondContact O-NE 2.78Å; Q548-R559 PolarHBondContact O-NH2 3.11Å; A549-R559 HydrophobicContact CB-CG 4.47Å; N555-R559 VanDerWaalsContact O-CZ 3.3Å; N555-R559 PolarHBondContact O-NH1 3.37Å; N555-R559 PolarHBondContact O-NH2 2.9Å; N555-R559 PolarHBondContact OD1-NH1 3.5Å; N555-R559 VanDerWaalsContact OD1-NH1 3.14Å; R557-R559 PolarHBondContact O-N 3.23Å; R557-R559 PolarHBondContact O-NH1 2.78Å; R559-P589 HydrophobicContact CB-CB 4.34Å; R559-P589 CarbonylContact O-C 3.53Å; R559-P589 VanDerWaalsContact O-CA 3.26Å; R559-P589 WeakPolarHBondContact O-CA 3.21Å; R559-K590 PolarHBondContact O-N 3.32Å
560V96.1Very high86.2Confident3 Ų344.6 Ų44.62%0.01820%0.203CC..EExtended strand (participates in β ladder)trans-107109.2168.1179.80000107.2A142 K147 C148 V149 V150 I562 K590 I592A142-V560 HydrophobicContact CB-CB 4.32Å; A142-V560 HydrophobicContact CB-CG1 4.42Å; A142-V560 HydrophobicContact CB-CG2 4.1Å; K147-V560 HydrophobicContact CB-CG2 4Å; K147-V560 HydrophobicContact CD-CG2 3.8Å; K147-V560 HydrophobicContact CG-CG2 4.41Å; C148-V560 PolarHBondContact O-N 3.44Å; V149-V560 CarbonylContact C-O 3.49Å; V149-V560 WeakPolarHBondContact CA-O 3.25Å; V150-V560 PolarHBondContact N-O 2.86Å; V560-I562 HydrophobicContact CG1-CG1 4.25Å; V560-K590 CarbonylContact C-O 3.49Å; V560-K590 WeakPolarHBondContact CA-O 3.44Å; V560-K590 HydrophobicContact CG2-CB 4.48Å; V560-I592 HydrophobicContact CG1-CD1 3.59Å; V560-I592 HydrophobicContact CG1-CG1 4.24Å
561H93.6Very high84.9Confident0 Ų048.3 Ų48.30%022%0.222CC..EExtended strand (participates in β ladder)trans-100.3105.3-178.1-165.7144.9000108.9V150 Q576 F577 T580 K590 Y591 I592V150-H561 CarbonylContact O-C 3.56Å; V150-H561 VanDerWaalsContact O-CA 3.24Å; V150-H561 WeakPolarHBondContact O-CA 3.31Å; H561-Q576 PolarHBondContact CE1-O 2.87Å; H561-F577 AromaticContact CE1-CD1 3.89Å; H561-F577 AromaticContact NE2-CD1 4Å; H561-T580 HydrophobicContact CB-CG2 4.41Å; H561-T580 VanDerWaalsContact ND1-CG2 3.33Å; H561-T580 WeakPolarHBondContact ND1-CG2 3.48Å; H561-T580 PolarHBondContact ND1-OG1 2.85Å; H561-K590 PolarHBondContact N-O 3.05Å; H561-Y591 HydrophobicContact CB-CD1 3.62Å; H561-Y591 HydrophobicContact CB-CE1 3.69Å; H561-Y591 AromaticContact CG-CD1 3.93Å; H561-Y591 AromaticContact CG-CE1 3.77Å; H561-Y591 AromaticContact ND1-CE1 3.69Å; H561-Y591 WeakPolarHBondContact O-CA 3.29Å; H561-I592 PolarHBondContact O-N 3.41Å
562I93.5Very high83.8Confident0 Ų044.3 Ų44.30%021%0.208CC..EExtended strand (participates in β ladder)trans-91.2122.6177.5-49.4173.7000108I138 A139 V149 V150 I151 G152 V560 I592 L594I138-I562 HydrophobicContact CB-CD1 4.18Å; I138-I562 HydrophobicContact CG2-CD1 3.67Å; I138-I562 HydrophobicContact CG2-CG1 4.23Å; A139-I562 HydrophobicContact CB-CD1 4.24Å; V149-I562 HydrophobicContact CG1-CD1 3.77Å; V149-I562 HydrophobicContact CG1-CG1 4.2Å; V150-I562 PolarHBondContact O-N 3.23Å; I151-I562 CarbonylContact C-O 3.58Å; I151-I562 WeakPolarHBondContact CA-O 3.12Å; G152-I562 PolarHBondContact N-O 2.76Å; V560-I562 HydrophobicContact CG1-CG1 4.25Å; I562-I592 CarbonylContact C-O 3.47Å; I562-I592 WeakPolarHBondContact CA-O 3.18Å; I562-I592 HydrophobicContact CG1-CD1 4.49Å; I562-L594 HydrophobicContact CG2-CB 4.29Å
563T89.5Confident83Confident0 Ų034.8 Ų34.80%017%0.171CC..EExtended strand (participates in β ladder)trans-93.299.5172.3-44.70000107.6L566 F577 I592 F593 L594T563-L566 HydrophobicContact CG2-CD2 3.86Å; T563-L566 HydrophobicContact CG2-CG 4.04Å; T563-F577 HydrophobicContact CG2-CZ 4.48Å; T563-F577 WeakPolarHBondContact OG1-CE1 3.21Å; T563-I592 PolarHBondContact N-O 2.87Å; T563-F593 HydrophobicContact CG2-CD1 4.49Å; T563-L594 PolarHBondContact O-N 3.32Å
564L90.1Very high82.1Confident0 Ų035.8 Ų35.80%018%0.176CC..SBendtrans-85.1-34.4178.517858.2000110.9I128 K131 C135 I151 G152 L153 L476 L594I128-L564 HydrophobicContact CG2-CG 4.4Å; K131-L564 HydrophobicContact CB-CD1 3.66Å; K131-L564 WeakPolarHBondContact CE-O 3.47Å; K131-L564 PolarHBondContact NZ-O 3.01Å; C135-L564 HydrophobicContact CB-CD1 4.14Å; C135-L564 HydrophobicContact CB-CD2 4.34Å; I151-L564 HydrophobicContact CG2-CB 3.82Å; I151-L564 HydrophobicContact CG2-CD2 4.19Å; G152-L564 PolarHBondContact O-N 3.14Å; L153-L564 HydrophobicContact CD2-CB 3.98Å; L153-L564 HydrophobicContact CD2-CD2 3.81Å; L153-L564 HydrophobicContact CD2-CG 3.8Å; L153-L564 HydrophobicContact CG-CD2 4.4Å; L476-L564 HydrophobicContact CD2-CD2 3.73Å; L564-L594 HydrophobicContact CD1-CD2 4.21Å
565E85.6Confident81.4Confident6 Ų636.8 Ų36.83%0.02817%0.166CC..SBendtrans-125.5111171.6-170.5-169.116100110.9K124 I128 G152 L153 Q154 S155K124-E565 WeakPolarHBondContact CE-OE1 3.35Å; K124-E565 IonicContact NZ-OE1 2.71Å; K124-E565 PolarHBondContact NZ-OE1 2.93Å; I128-E565 HydrophobicContact CD1-CB 4.31Å; I128-E565 HydrophobicContact CD1-CG 3.86Å; I128-E565 HydrophobicContact CG1-CB 4.41Å; I128-E565 HydrophobicContact CG1-CG 4.26Å; G152-E565 PolarHBondContact O-N 3.42Å; L153-E565 HydrophobicContact CD2-CB 3.71Å; Q154-E565 WeakPolarHBondContact CB-OE1 3.16Å; Q154-E565 HydrophobicContact CG-CB 4.45Å; Q154-E565 HydrophobicContact CG-CG 4.05Å; Q154-E565 PolarHBondContact N-OE2 2.97Å; Q154-E565 PolarHBondContact NE2-O 3.16Å; S155-E565 WeakPolarHBondContact CB-OE2 3.49Å; S155-E565 PolarHBondContact N-OE1 3.16Å; S155-E565 PolarHBondContact N-OE2 2.7Å; S155-E565 PolarHBondContact OG-OE1 3.43Å; S155-E565 PolarHBondContact OG-OE2 3.46Å
566L74.3Confident80.8Confident20 Ų2036.6 Ų36.611%0.10517%0.165CC..  trans-72124.6175.7-74.5154.3000110.4T563 F593 I595 A605 V608T563-L566 HydrophobicContact CG2-CD2 3.86Å; T563-L566 HydrophobicContact CG2-CG 4.04Å; L566-F593 HydrophobicContact CD2-CD1 3.97Å; L566-F593 HydrophobicContact CD2-CE1 4.47Å; L566-I595 HydrophobicContact CD1-CD1 4.46Å; L566-I595 HydrophobicContact CD1-CG1 3.92Å; L566-A605 HydrophobicContact CD1-CB 3.84Å; L566-V608 HydrophobicContact CB-CG2 4.34Å; L566-V608 HydrophobicContact CD2-CB 3.87Å; L566-V608 HydrophobicContact CD2-CG1 3.87Å; L566-V608 HydrophobicContact CD2-CG2 3.97Å
567P66.2Low80.2Confident4 Ų432.9 Ų32.93%0.02615%0.148CC..  trans-75.4145.4175.427.9-28.7000111.5Q154 S569 R572 A573Q154-P567 HydrophobicContact CG-CB 3.95Å; P567-S569 PolarHBondContact O-N 3.24Å; P567-S569 VanDerWaalsContact O-N 3.12Å; P567-R572 HydrophobicContact CB-CB 3.95Å; P567-R572 HydrophobicContact CG-CB 4.11Å; P567-A573 HydrophobicContact CG-CB 3.62Å; P567-A573 VanDerWaalsContact CG-N 3.35Å
568W61.4Low79.6Confident124 Ų12428.5 Ų28.547%0.4714%0.136SC..SBendtrans-53.1-32.6179.9-61.390.5000114.2Q120 F604 N717Q120-W568 HydrophobicContact CG-CH2 4.23Å; Q120-W568 HydrophobicContact CG-CZ2 4.27Å; W568-F604 HydrophobicContact CE3-CD1 4.42Å; W568-F604 HydrophobicContact CE3-CE1 4.16Å; W568-F604 HydrophobicContact CH2-CD1 4.45Å; W568-F604 AromaticContact CH2-CE1 3.75Å; W568-F604 HydrophobicContact CH2-CE1 3.75Å; W568-F604 HydrophobicContact CH2-CE2 4.16Å; W568-F604 AromaticContact CH2-CZ 3.58Å; W568-F604 HydrophobicContact CH2-CZ 3.58Å; W568-F604 AromaticContact CZ3-CD1 3.94Å; W568-F604 HydrophobicContact CZ3-CD1 3.94Å; W568-F604 AromaticContact CZ3-CE1 3.31Å; W568-F604 HydrophobicContact CZ3-CE1 3.31Å; W568-F604 AromaticContact CZ3-CZ 3.66Å; W568-F604 HydrophobicContact CZ3-CZ 3.66Å; W568-N717 WeakPolarHBondContact CZ3-OD1 3.12Å
569S60.3Low79.2Confident35 Ų3525.7 Ų25.725%0.24513%0.125CC..SBendtrans-106.4124.2170.6178.80000110.1P567 D571 R572 A573P567-S569 PolarHBondContact O-N 3.24Å; P567-S569 VanDerWaalsContact O-N 3.12Å; S569-D571 PolarHBondContact O-N 3.31Å; S569-D571 WeakPolarHBondContact OG-CB 3.5Å; S569-D571 PolarHBondContact OG-N 2.66Å; S569-D571 PolarHBondContact OG-OD2 2.79Å; S569-D571 VanDerWaalsContact OG-OD2 3.1Å; S569-R572 WeakPolarHBondContact O-CB 3.34Å; S569-R572 PolarHBondContact O-N 3.15Å; S569-A573 PolarHBondContact O-N 2.88Å
570A62Low79Confident3 Ų325.7 Ų25.73%0.02513%0.125CC..Hα-helixtrans-65.1-18.8173.300000112.4R572 A573 V574 V608 R611A570-R572 VanDerWaalsContact C-N 3.28Å; A570-R572 PolarHBondContact O-N 2.89Å; A570-A573 CarbonylContact O-C 3.57Å; A570-A573 WeakPolarHBondContact O-CA 3.45Å; A570-A573 WeakPolarHBondContact O-CB 3.35Å; A570-A573 PolarHBondContact O-N 2.67Å; A570-A573 VanDerWaalsContact O-N 3.12Å; A570-V574 VanDerWaalsContact O-CB 3.32Å; A570-V574 WeakPolarHBondContact O-CB 3.22Å; A570-V574 WeakPolarHBondContact O-CG2 3.5Å; A570-V574 PolarHBondContact O-N 2.93Å; A570-V608 HydrophobicContact CB-CB 4.47Å; A570-V608 HydrophobicContact CB-CG1 4.05Å; A570-R611 HydrophobicContact CB-CB 3.31Å; A570-R611 HydrophobicContact CB-CG 3.98Å
571D64.5Low78.6Confident84 Ų8425.9 Ų25.945%0.44913%0.126SC..Hα-helixtrans-64.1-36.8172.4-55.3-95.1000110.5S569 Q575 R611S569-D571 PolarHBondContact O-N 3.31Å; S569-D571 WeakPolarHBondContact OG-CB 3.5Å; S569-D571 PolarHBondContact OG-N 2.66Å; S569-D571 PolarHBondContact OG-OD2 2.79Å; S569-D571 VanDerWaalsContact OG-OD2 3.1Å; D571-Q575 WeakPolarHBondContact O-CG 3.47Å; D571-Q575 PolarHBondContact O-N 3.26Å; D571-Q575 PolarHBondContact O-NE2 2.81Å; D571-R611 IonicContact OD2-CZ 2.74Å; D571-R611 IonicContact OD2-NH1 2.76Å; D571-R611 PolarHBondContact OD2-NH1 2.99Å
572R69.5Low78.2Confident71 Ų7129.3 Ų29.327%0.26814%0.139SC..Hα-helixtrans-66.6-44.3167.6-64.5-170.6-172.1173.86.5110.8A228 E539 P567 S569 A570 V574 Q575 Q576A228-R572 PolarHBondContact O-NH2 3.16Å; A228-R572 VanDerWaalsContact O-NH2 3.09Å; E539-R572 VanDerWaalsContact CD-NH1 3.28Å; E539-R572 IonicContact OE1-CZ 3.73Å; E539-R572 IonicContact OE1-NE 3.56Å; E539-R572 PolarHBondContact OE1-NE 3.11Å; E539-R572 IonicContact OE1-NH1 3.01Å; E539-R572 PolarHBondContact OE1-NH1 3.37Å; E539-R572 VanDerWaalsContact OE1-NH1 3.08Å; E539-R572 IonicContact OE1-NH2 3.93Å; E539-R572 WeakPolarHBondContact OE2-CD 3.49Å; E539-R572 IonicContact OE2-CZ 3.25Å; E539-R572 IonicContact OE2-NE 2.69Å; E539-R572 IonicContact OE2-NH1 3.19Å; E539-R572 PolarHBondContact OE2-NH1 3.21Å; P567-R572 HydrophobicContact CB-CB 3.95Å; P567-R572 HydrophobicContact CG-CB 4.11Å; S569-R572 WeakPolarHBondContact O-CB 3.34Å; S569-R572 PolarHBondContact O-N 3.15Å; A570-R572 VanDerWaalsContact C-N 3.28Å; A570-R572 PolarHBondContact O-N 2.89Å; R572-V574 VanDerWaalsContact C-N 3.27Å; R572-V574 PolarHBondContact O-N 3.06Å; R572-Q575 PolarHBondContact O-N 3.42Å; R572-Q576 PolarHBondContact O-N 2.87Å
573A74.3Confident77.6Confident0 Ų033.3 Ų33.30%017%0.167CC..Hα-helixtrans-56.9-40.6176.600000112.3P567 S569 A570 Q576 F577 V608P567-A573 HydrophobicContact CG-CB 3.62Å; P567-A573 VanDerWaalsContact CG-N 3.35Å; S569-A573 PolarHBondContact O-N 2.88Å; A570-A573 CarbonylContact O-C 3.57Å; A570-A573 WeakPolarHBondContact O-CA 3.45Å; A570-A573 WeakPolarHBondContact O-CB 3.35Å; A570-A573 PolarHBondContact O-N 2.67Å; A570-A573 VanDerWaalsContact O-N 3.12Å; A573-Q576 CarbonylContact O-C 3.53Å; A573-Q576 WeakPolarHBondContact O-CA 3.21Å; A573-Q576 VanDerWaalsContact O-CB 3.28Å; A573-Q576 WeakPolarHBondContact O-CB 3.2Å; A573-Q576 PolarHBondContact O-N 3.37Å; A573-F577 HydrophobicContact CB-CD2 4.46Å; A573-F577 HydrophobicContact CB-CE2 3.7Å; A573-F577 HydrophobicContact CB-CZ 3.97Å; A573-F577 WeakPolarHBondContact O-CD2 2.95Å; A573-F577 WeakPolarHBondContact O-CE2 3.39Å; A573-F577 WeakPolarHBondContact O-CG 3.48Å; A573-F577 PolarHBondContact O-N 3.01Å; A573-V608 HydrophobicContact CB-CG1 3.87Å
574V73.5Confident77.4Confident42 Ų4236.7 Ų36.726%0.25519%0.185SC..Hα-helixtrans-76.8-33.9-176.5170.20000111.4A570 R572 Q576 F577 G578 L612 L615A570-V574 VanDerWaalsContact O-CB 3.32Å; A570-V574 WeakPolarHBondContact O-CB 3.22Å; A570-V574 WeakPolarHBondContact O-CG2 3.5Å; A570-V574 PolarHBondContact O-N 2.93Å; R572-V574 VanDerWaalsContact C-N 3.27Å; R572-V574 PolarHBondContact O-N 3.06Å; V574-Q576 VanDerWaalsContact C-N 3.26Å; V574-Q576 PolarHBondContact O-N 2.84Å; V574-F577 PolarHBondContact O-N 3.38Å; V574-G578 PolarHBondContact O-N 2.97Å; V574-L612 HydrophobicContact CG2-CD2 3.58Å; V574-L615 HydrophobicContact CB-CD1 3.94Å; V574-L615 HydrophobicContact CG1-CD1 3.64Å; V574-L615 HydrophobicContact CG2-CD1 3.17Å
575Q78.3Confident77.4Confident100 Ų10038.3 Ų38.347%0.46719%0.193SC..Hα-helixtrans-62.7-34.5166.7-70.6168.738.500111.7D571 R572 R579D571-Q575 WeakPolarHBondContact O-CG 3.47Å; D571-Q575 PolarHBondContact O-N 3.26Å; D571-Q575 PolarHBondContact O-NE2 2.81Å; R572-Q575 PolarHBondContact O-N 3.42Å; Q575-R579 PolarHBondContact O-NE 2.92Å; Q575-R579 PolarHBondContact O-NH2 3.02Å
576Q81.6Confident77.7Confident0 Ų041 Ų410%021%0.209CC..Hα-helixtrans-71.3-44.9174.4-155.8169.120.800111.5L153 I537 H561 R572 A573 V574 G578 R579L153-Q576 PolarHBondContact O-NE2 3.16Å; L153-Q576 VanDerWaalsContact O-NE2 3.12Å; I537-Q576 HydrophobicContact CD1-CG 3.64Å; I537-Q576 HydrophobicContact CG1-CG 4.36Å; I537-Q576 PolarHBondContact O-NE2 3.21Å; H561-Q576 PolarHBondContact CE1-O 2.87Å; R572-Q576 PolarHBondContact O-N 2.87Å; A573-Q576 CarbonylContact O-C 3.53Å; A573-Q576 WeakPolarHBondContact O-CA 3.21Å; A573-Q576 VanDerWaalsContact O-CB 3.28Å; A573-Q576 WeakPolarHBondContact O-CB 3.2Å; A573-Q576 PolarHBondContact O-N 3.37Å; V574-Q576 VanDerWaalsContact C-N 3.26Å; V574-Q576 PolarHBondContact O-N 2.84Å; Q576-G578 VanDerWaalsContact C-N 3.3Å; Q576-G578 PolarHBondContact O-N 2.87Å; Q576-R579 WeakPolarHBondContact O-CB 3.12Å; Q576-R579 VanDerWaalsContact O-CG 3.25Å; Q576-R579 WeakPolarHBondContact O-CG 3.2Å; Q576-R579 PolarHBondContact O-N 2.93Å
577F82.4Confident78.5Confident8 Ų841.6 Ų41.64%0.03522%0.215CC..Hα-helixtrans-65.7-33.1174.6-57.9-30.2000112.7H561 T563 A573 V574 R579 T580 H581 Y591 F593 L612H561-F577 AromaticContact CE1-CD1 3.89Å; H561-F577 AromaticContact NE2-CD1 4Å; T563-F577 HydrophobicContact CG2-CZ 4.48Å; T563-F577 WeakPolarHBondContact OG1-CE1 3.21Å; A573-F577 HydrophobicContact CB-CD2 4.46Å; A573-F577 HydrophobicContact CB-CE2 3.7Å; A573-F577 HydrophobicContact CB-CZ 3.97Å; A573-F577 WeakPolarHBondContact O-CD2 2.95Å; A573-F577 WeakPolarHBondContact O-CE2 3.39Å; A573-F577 WeakPolarHBondContact O-CG 3.48Å; A573-F577 PolarHBondContact O-N 3.01Å; V574-F577 PolarHBondContact O-N 3.38Å; F577-R579 PolarHBondContact O-N 3.36Å; F577-T580 PolarHBondContact O-N 3.06Å; F577-T580 PolarHBondContact O-OG1 3.02Å; F577-H581 PolarHBondContact O-N 3.34Å; F577-Y591 HydrophobicContact CB-CD1 4.46Å; F577-Y591 HydrophobicContact CB-CE1 3.6Å; F577-Y591 AromaticContact CD1-CD1 3.55Å; F577-Y591 HydrophobicContact CD1-CD1 3.55Å; F577-Y591 AromaticContact CD1-CE1 3.33Å; F577-Y591 HydrophobicContact CD1-CE1 3.33Å; F577-Y591 HydrophobicContact CE1-CD1 4.05Å; F577-Y591 HydrophobicContact CE1-CE1 4.26Å; F577-Y591 AromaticContact CG-CD1 4Å; F577-Y591 HydrophobicContact CG-CD1 4Å; F577-Y591 AromaticContact CG-CE1 3.59Å; F577-Y591 HydrophobicContact CG-CE1 3.59Å; F577-Y591 PolarHBondContact O-OH 3.16Å; F577-F593 HydrophobicContact CE1-CE1 4.46Å; F577-F593 HydrophobicContact CE2-CE1 4.07Å; F577-F593 HydrophobicContact CE2-CZ 4.36Å; F577-F593 AromaticContact CZ-CE1 3.64Å; F577-F593 HydrophobicContact CZ-CE1 3.64Å; F577-F593 HydrophobicContact CZ-CZ 4.29Å; F577-L612 HydrophobicContact CD2-CD2 3.77Å; F577-L612 HydrophobicContact CE2-CD1 3.96Å; F577-L612 HydrophobicContact CE2-CD2 3.77Å; F577-L612 HydrophobicContact CE2-CG 4.44Å
578G82.8Confident79.6Confident14 Ų1442 Ų4214%0.14422%0.219CC..Hα-helixtrans-59.4-19.6168.700000113.9V574 Q576 T580 R582V574-G578 PolarHBondContact O-N 2.97Å; Q576-G578 VanDerWaalsContact C-N 3.3Å; Q576-G578 PolarHBondContact O-N 2.87Å; G578-T580 VanDerWaalsContact C-N 3.33Å; G578-R582 WeakPolarHBondContact O-CD 3.45Å; G578-R582 PolarHBondContact O-NE 3.01Å; G578-R582 PolarHBondContact O-NH1 2.7Å; G578-R582 VanDerWaalsContact O-NH1 3.12Å; G578-R582 PolarHBondContact O-NH2 3.06Å
579R87.8Confident81Confident24 Ų2436.2 Ų36.29%0.09120%0.197CC..Hα-helixtrans-65.2-37.6171.6-54.8-56.5112.8-178.212.8111.6I537 S542 I545 L547 Q548 Q575 Q576 F577 R582I537-R579 HydrophobicContact CD1-CG 4.44Å; S542-R579 PolarHBondContact O-NE 3.47Å; S542-R579 PolarHBondContact O-NH2 3.25Å; I545-R579 VanDerWaalsContact O-CD 3.24Å; I545-R579 WeakPolarHBondContact O-CD 3.34Å; I545-R579 PolarHBondContact O-NH1 3.13Å; L547-R579 WeakPolarHBondContact CA-O 3.33Å; L547-R579 PolarHBondContact N-O 2.77Å; Q548-R579 PolarHBondContact N-O 2.9Å; Q575-R579 PolarHBondContact O-NE 2.92Å; Q575-R579 PolarHBondContact O-NH2 3.02Å; Q576-R579 WeakPolarHBondContact O-CB 3.12Å; Q576-R579 VanDerWaalsContact O-CG 3.25Å; Q576-R579 WeakPolarHBondContact O-CG 3.2Å; Q576-R579 PolarHBondContact O-N 2.93Å; F577-R579 PolarHBondContact O-N 3.36Å; R579-R582 VanDerWaalsContact CZ-NH2 3.34Å
580T90.9Very high82.4Confident1 Ų137.7 Ų37.71%0.00620%0.199CC..Hα-helixtrans-98.9-13.6-17853.20000114.6V150 L547 H561 F577 G578 Y591V150-T580 HydrophobicContact CB-CG2 4.03Å; V150-T580 HydrophobicContact CG1-CG2 4.11Å; V150-T580 HydrophobicContact CG2-CG2 3.74Å; L547-T580 HydrophobicContact CB-CG2 4.27Å; H561-T580 HydrophobicContact CB-CG2 4.41Å; H561-T580 VanDerWaalsContact ND1-CG2 3.33Å; H561-T580 WeakPolarHBondContact ND1-CG2 3.48Å; H561-T580 PolarHBondContact ND1-OG1 2.85Å; F577-T580 PolarHBondContact O-N 3.06Å; F577-T580 PolarHBondContact O-OG1 3.02Å; G578-T580 VanDerWaalsContact C-N 3.33Å; T580-Y591 PolarHBondContact OG1-OH 3.14Å; T580-Y591 VanDerWaalsContact OG1-OH 3.1Å
581H87.5Confident83.7Confident8 Ų837.5 Ų37.54%0.03720%0.198CC..  trans-114.7108.3178.5-163.5-135.9000111.3S53 F54 F577 Q585 P589 Y591S53-H581 PolarHBondContact O-CE1 3.29Å; F54-H581 AromaticContact CE1-ND1 3.91Å; F54-H581 AromaticContact CZ-ND1 3.93Å; F577-H581 PolarHBondContact O-N 3.34Å; H581-Q585 PolarHBondContact CD2-NE2 3.23Å; H581-Q585 PolarHBondContact CD2-OE1 3.46Å; H581-Q585 PolarHBondContact NE2-NE2 2.86Å; H581-P589 HydrophobicContact CB-CG 4.16Å; H581-Y591 WeakPolarHBondContact CB-OH 3.37Å
582R87Confident84.8Confident71 Ų7133.6 Ų33.627%0.26818%0.177SC..  trans-145.5161.8-173.5-68.9-64.4-162.4-140.8-3.9112.3L52 S546 Q548 G578 R579 Q585L52-R582 VanDerWaalsContact CD1-CA 3.48Å; S546-R582 PolarHBondContact OG-NE 3.11Å; Q548-R582 HydrophobicContact CB-CB 3.99Å; Q548-R582 HydrophobicContact CB-CG 4.35Å; Q548-R582 HydrophobicContact CG-CB 3.77Å; Q548-R582 HydrophobicContact CG-CG 4.3Å; G578-R582 WeakPolarHBondContact O-CD 3.45Å; G578-R582 PolarHBondContact O-NE 3.01Å; G578-R582 PolarHBondContact O-NH1 2.7Å; G578-R582 VanDerWaalsContact O-NH1 3.12Å; G578-R582 PolarHBondContact O-NH2 3.06Å; R579-R582 VanDerWaalsContact CZ-NH2 3.34Å; R582-Q585 VanDerWaalsContact N-OE1 3.11Å; R582-Q585 VanDerWaalsContact O-CD 3.22Å; R582-Q585 WeakPolarHBondContact O-CG 3.3Å; R582-Q585 PolarHBondContact O-OE1 3.18Å; R582-Q585 VanDerWaalsContact O-OE1 3.12Å
583S79.7Confident85.5Confident85 Ų8530.9 Ų30.959%0.59417%0.167SC*.THydrogen-bonded Turntrans-59.5154.1165.847.20000110.9Q585S583-Q585 PolarHBondContact O-N 3.2Å
584N86.6Confident86.1Confident71 Ų7130.9 Ų30.938%0.3817%0.167SC..THydrogen-bonded Turntrans65.414.8-175.8-154.753.6000116D550 R551 R552D550-N584 PolarHBondContact OD1-ND2 2.87Å; R551-N584 WeakPolarHBondContact CD-OD1 3.08Å; R551-N584 WeakPolarHBondContact CG-O 3.32Å; R551-N584 PolarHBondContact N-O 3.31Å; R552-N584 PolarHBondContact NE-ND2 2.89Å
585Q89.2Confident86.6Confident34 Ų3429.3 Ų29.316%0.15916%0.157CC..BIsolated β-bridgetrans-70.5148.6170.871.7-165.110.100112.2Q548 A549 R551 H581 R582 S583Q548-Q585 HydrophobicContact CB-CB 4.28Å; Q548-Q585 HydrophobicContact CG-CB 4.43Å; A549-Q585 CarbonylContact O-C 3.59Å; A549-Q585 VanDerWaalsContact O-CA 3.28Å; A549-Q585 WeakPolarHBondContact O-CA 3.29Å; R551-Q585 PolarHBondContact NE-O 3.12Å; H581-Q585 PolarHBondContact CD2-NE2 3.23Å; H581-Q585 PolarHBondContact CD2-OE1 3.46Å; H581-Q585 PolarHBondContact NE2-NE2 2.86Å; R582-Q585 VanDerWaalsContact N-OE1 3.11Å; R582-Q585 VanDerWaalsContact O-CD 3.22Å; R582-Q585 WeakPolarHBondContact O-CG 3.3Å; R582-Q585 PolarHBondContact O-OE1 3.18Å; R582-Q585 VanDerWaalsContact O-OE1 3.12Å; S583-Q585 PolarHBondContact O-N 3.2Å
586V91.8Very high87Confident62 Ų6224.5 Ų24.538%0.37614%0.135SC..SBendtrans-78.5-43.6172.5177.30000110.5A549 R551 Q556A549-V586 PolarHBondContact O-N 3.09Å; R551-V586 HydrophobicContact CB-CG2 4.25Å; R551-V586 HydrophobicContact CG-CG2 3.47Å; R551-V586 VanDerWaalsContact CG-CG2 3.47Å; Q556-V586 HydrophobicContact CB-CG2 4.11Å; Q556-V586 HydrophobicContact CG-CG2 4.11Å
587S91.9Very high87.2Confident33 Ų3325.5 Ų25.523%0.23114%0.14CC..SBendtrans-137.4147.4-178.958.20000111.2R558R558-S587 WeakPolarHBondContact CA-OG 3.38Å
588A87.9Confident87.3Confident13 Ų1325.1 Ų25.111%0.10714%0.138CC..PPolyproline II helixtrans-78.2142.917600000111.1G56 V57 R558G56-A588 VanDerWaalsContact C-CB 3.46Å; G56-A588 WeakPolarHBondContact O-CB 3.03Å; V57-A588 HydrophobicContact CG2-CB 3.92Å; R558-A588 PolarHBondContact NE-O 3.18Å; R558-A588 PolarHBondContact NH2-O 3.07Å
589P91Very high87.1Confident1 Ų124.4 Ų24.41%0.00613%0.132CC..PPolyproline II helixtrans-65.4163.2-176.525.1-34.3000114.1V57 N58 R558 R559 H581 Y591V57-P589 WeakPolarHBondContact CA-O 3.45Å; V57-P589 HydrophobicContact CG2-CG 4.45Å; N58-P589 PolarHBondContact N-O 2.7Å; R558-P589 PolarHBondContact NH2-O 2.99Å; R559-P589 HydrophobicContact CB-CB 4.34Å; R559-P589 CarbonylContact O-C 3.53Å; R559-P589 VanDerWaalsContact O-CA 3.26Å; R559-P589 WeakPolarHBondContact O-CA 3.21Å; H581-P589 HydrophobicContact CB-CG 4.16Å; P589-Y591 HydrophobicContact CB-CE2 4.19Å; P589-Y591 HydrophobicContact CG-CD2 4.46Å; P589-Y591 HydrophobicContact CG-CE2 3.58Å; P589-Y591 WeakPolarHBondContact CG-OH 3.44Å
590K90.7Very high86.2Confident66 Ų6623.3 Ų23.329%0.28713%0.127SC..EExtended strand (participates in β ladder)trans-103.3123157.7-178.4-168.3178.5-165.30107.7N58 R559 V560 H561 I592N58-K590 HydrophobicContact CB-CG 4.25Å; N58-K590 CarbonylContact O-C 3.58Å; N58-K590 WeakPolarHBondContact O-CA 3.45Å; R559-K590 PolarHBondContact O-N 3.32Å; V560-K590 CarbonylContact C-O 3.49Å; V560-K590 WeakPolarHBondContact CA-O 3.44Å; V560-K590 HydrophobicContact CG2-CB 4.48Å; H561-K590 PolarHBondContact N-O 3.05Å; K590-I592 HydrophobicContact CD-CD1 4.09Å; K590-I592 HydrophobicContact CD-CG1 4.06Å; K590-I592 HydrophobicContact CG-CG1 4.25Å
591Y87.8Confident85.5Confident0 Ų024 Ų240%013%0.13CC..EExtended strand (participates in β ladder)trans-92.6134.7169.2-66.5-73.5000110.1V57 N58 F59 S60 H561 F577 T580 H581 P589V57-Y591 HydrophobicContact CG1-CD2 3.46Å; V57-Y591 VanDerWaalsContact CG1-CD2 3.46Å; V57-Y591 HydrophobicContact CG1-CE2 3.51Å; N58-Y591 PolarHBondContact O-N 3.1Å; F59-Y591 CarbonylContact C-O 3.55Å; F59-Y591 WeakPolarHBondContact CA-O 3.43Å; F59-Y591 AromaticContact CD1-CD2 3.81Å; F59-Y591 HydrophobicContact CD1-CD2 3.81Å; F59-Y591 AromaticContact CD1-CG 3.99Å; F59-Y591 HydrophobicContact CD1-CG 3.99Å; F59-Y591 AromaticContact CE1-CD2 3.4Å; F59-Y591 HydrophobicContact CE1-CD2 3.4Å; F59-Y591 VanDerWaalsContact CE1-CD2 3.4Å; F59-Y591 HydrophobicContact CE1-CE2 4.16Å; F59-Y591 AromaticContact CE1-CG 3.88Å; F59-Y591 HydrophobicContact CE1-CG 3.88Å; F59-Y591 AromaticContact CZ-CD2 3.91Å; F59-Y591 HydrophobicContact CZ-CD2 3.91Å; F59-Y591 HydrophobicContact CZ-CE2 4.38Å; S60-Y591 PolarHBondContact N-O 3.23Å; H561-Y591 HydrophobicContact CB-CD1 3.62Å; H561-Y591 HydrophobicContact CB-CE1 3.69Å; H561-Y591 AromaticContact CG-CD1 3.93Å; H561-Y591 AromaticContact CG-CE1 3.77Å; H561-Y591 AromaticContact ND1-CE1 3.69Å; H561-Y591 WeakPolarHBondContact O-CA 3.29Å; F577-Y591 HydrophobicContact CB-CD1 4.46Å; F577-Y591 HydrophobicContact CB-CE1 3.6Å; F577-Y591 AromaticContact CD1-CD1 3.55Å; F577-Y591 HydrophobicContact CD1-CD1 3.55Å; F577-Y591 AromaticContact CD1-CE1 3.33Å; F577-Y591 HydrophobicContact CD1-CE1 3.33Å; F577-Y591 HydrophobicContact CE1-CD1 4.05Å; F577-Y591 HydrophobicContact CE1-CE1 4.26Å; F577-Y591 AromaticContact CG-CD1 4Å; F577-Y591 HydrophobicContact CG-CD1 4Å; F577-Y591 AromaticContact CG-CE1 3.59Å; F577-Y591 HydrophobicContact CG-CE1 3.59Å; F577-Y591 PolarHBondContact O-OH 3.16Å; T580-Y591 PolarHBondContact OG1-OH 3.14Å; T580-Y591 VanDerWaalsContact OG1-OH 3.1Å; H581-Y591 WeakPolarHBondContact CB-OH 3.37Å; P589-Y591 HydrophobicContact CB-CE2 4.19Å; P589-Y591 HydrophobicContact CG-CD2 4.46Å; P589-Y591 HydrophobicContact CG-CE2 3.58Å; P589-Y591 WeakPolarHBondContact CG-OH 3.44Å
592I88.1Confident84.6Confident1 Ų126.3 Ų26.31%0.00514%0.141CC..EExtended strand (participates in β ladder)trans-124.5122.6174.5-58.4179.2000107.1S60 N62 I138 V560 H561 I562 T563 K590S60-I592 WeakPolarHBondContact O-CA 3.38Å; N62-I592 HydrophobicContact CB-CG2 4.04Å; I138-I592 HydrophobicContact CG2-CD1 3.59Å; V560-I592 HydrophobicContact CG1-CD1 3.59Å; V560-I592 HydrophobicContact CG1-CG1 4.24Å; H561-I592 PolarHBondContact O-N 3.41Å; I562-I592 CarbonylContact C-O 3.47Å; I562-I592 WeakPolarHBondContact CA-O 3.18Å; I562-I592 HydrophobicContact CG1-CD1 4.49Å; T563-I592 PolarHBondContact N-O 2.87Å; K590-I592 HydrophobicContact CD-CD1 4.09Å; K590-I592 HydrophobicContact CD-CG1 4.06Å; K590-I592 HydrophobicContact CG-CG1 4.25Å
593F84.1Confident83.5Confident14 Ų1423 Ų236%0.06113%0.129CC..EExtended strand (participates in β ladder)trans-95.8117.8168.5-55.3-72.8000108F59 S60 I61 N62 T563 L566 F577 I595 L612F59-F593 HydrophobicContact CB-CE2 4.46Å; F59-F593 AromaticContact CD1-CE2 3.89Å; F59-F593 HydrophobicContact CD1-CE2 3.89Å; F59-F593 HydrophobicContact CD1-CZ 4.06Å; S60-F593 PolarHBondContact O-N 2.96Å; I61-F593 HydrophobicContact CG1-CB 4.29Å; I61-F593 HydrophobicContact CG1-CD2 4.07Å; N62-F593 PolarHBondContact N-O 3.14Å; T563-F593 HydrophobicContact CG2-CD1 4.49Å; L566-F593 HydrophobicContact CD2-CD1 3.97Å; L566-F593 HydrophobicContact CD2-CE1 4.47Å; F577-F593 HydrophobicContact CE1-CE1 4.46Å; F577-F593 HydrophobicContact CE2-CE1 4.07Å; F577-F593 HydrophobicContact CE2-CZ 4.36Å; F577-F593 AromaticContact CZ-CE1 3.64Å; F577-F593 HydrophobicContact CZ-CE1 3.64Å; F577-F593 HydrophobicContact CZ-CZ 4.29Å; F593-I595 HydrophobicContact CB-CD1 3.54Å; F593-I595 HydrophobicContact CB-CG1 4.26Å; F593-L612 HydrophobicContact CE1-CD1 3.89Å; F593-L612 HydrophobicContact CE2-CD1 4.22Å; F593-L612 HydrophobicContact CZ-CD1 3.38Å
594L87.4Confident82.6Confident0 Ų021 Ų210%011%0.11CC..EExtended strand (participates in β ladder)trans-102.6114.7178.3-168.265.9000108.3N62 V64 K131 T134 C135 I138 I562 T563 L564N62-L594 HydrophobicContact CB-CD1 3.88Å; V64-L594 HydrophobicContact CG2-CD1 3.53Å; V64-L594 HydrophobicContact CG2-CG 3.92Å; K131-L594 HydrophobicContact CB-CD2 3.96Å; K131-L594 HydrophobicContact CB-CG 4.21Å; K131-L594 HydrophobicContact CD-CG 4.41Å; K131-L594 WeakPolarHBondContact CD-O 3.37Å; K131-L594 PolarHBondContact NZ-O 2.98Å; K131-L594 WeakPolarHBondContact O-CD2 3.44Å; T134-L594 HydrophobicContact CG2-CD1 3.92Å; C135-L594 HydrophobicContact CB-CD2 3.65Å; I138-L594 HydrophobicContact CD1-CD1 3.96Å; I562-L594 HydrophobicContact CG2-CB 4.29Å; T563-L594 PolarHBondContact O-N 3.32Å; L564-L594 HydrophobicContact CD1-CD2 4.21Å
595I84.6Confident81.5Confident9 Ų918.1 Ų18.15%0.04610%0.096CC..EExtended strand (participates in β ladder)trans-139.5136.6-164.3-62.5147.1000107.7I61 N62 E63 V64 L566 F593 A605I61-I595 HydrophobicContact CG1-CD1 4.39Å; I61-I595 HydrophobicContact CG2-CD1 3.91Å; N62-I595 PolarHBondContact O-N 3.38Å; N62-I595 VanDerWaalsContact O-N 3.11Å; E63-I595 CarbonylContact C-O 3.55Å; E63-I595 VanDerWaalsContact CA-O 3.27Å; E63-I595 WeakPolarHBondContact CA-O 3.31Å; V64-I595 PolarHBondContact N-O 2.96Å; L566-I595 HydrophobicContact CD1-CD1 4.46Å; L566-I595 HydrophobicContact CD1-CG1 3.92Å; F593-I595 HydrophobicContact CB-CD1 3.54Å; F593-I595 HydrophobicContact CB-CG1 4.26Å; I595-A605 HydrophobicContact CB-CB 4.31Å; I595-A605 HydrophobicContact CD1-CB 3.43Å; I595-A605 VanDerWaalsContact CD1-CB 3.43Å; I595-A605 HydrophobicContact CG1-CB 3.64Å; I595-A605 HydrophobicContact CG2-CB 3.66Å
596S86.6Confident79.9Confident0 Ų017 Ų170%09%0.092CC..EExtended strand (participates in β ladder)trans-79.7154.2173.860.80000112.4V64 L598 E601 Q602V64-S596 CarbonylContact O-C 3.54Å; V64-S596 VanDerWaalsContact O-CA 3.3Å; V64-S596 WeakPolarHBondContact O-CA 3.25Å; S596-L598 PolarHBondContact O-N 2.92Å; S596-L598 VanDerWaalsContact O-N 3.13Å; S596-L598 WeakPolarHBondContact OG-CB 3.2Å; S596-E601 WeakPolarHBondContact CB-OE2 3.17Å; S596-E601 PolarHBondContact N-OE2 3.42Å; S596-E601 PolarHBondContact OG-OE2 3.45Å; S596-Q602 WeakPolarHBondContact O-CG 3.42Å
597N84.8Confident78.1Confident20 Ų2016.2 Ų16.211%0.1079%0.087CC..SBendtrans-70.54.4169.869.3-30.3000113.4E63 V64 L65 I66 E67 A599E63-N597 HydrophobicContact CG-CB 3.97Å; E63-N597 WeakPolarHBondContact OE1-CA 3.49Å; E63-N597 WeakPolarHBondContact OE1-CB 3.09Å; V64-N597 PolarHBondContact O-N 3.36Å; V64-N597 PolarHBondContact O-OD1 3.06Å; V64-N597 VanDerWaalsContact O-OD1 3.13Å; L65-N597 HydrophobicContact CD2-CB 4.22Å; I66-N597 VanDerWaalsContact CG1-OD1 3.22Å; I66-N597 WeakPolarHBondContact CG1-OD1 3.43Å; I66-N597 WeakPolarHBondContact CG2-OD1 3.38Å; I66-N597 PolarHBondContact N-OD1 2.93Å; E67-N597 VanDerWaalsContact CD-ND2 3.34Å; E67-N597 PolarHBondContact OE1-ND2 3.04Å; E67-N597 PolarHBondContact OE2-ND2 2.79Å; N597-A599 PolarHBondContact O-N 3.18Å
598L85.9Confident76.4Confident0 Ų015 Ų150%08%0.078CC..  trans-66.1119.2170.3-166.975.7000109.4I66 Y80 S596 G600 E601 Q602 V724I66-L598 HydrophobicContact CD1-CB 4.21Å; I66-L598 HydrophobicContact CD1-CD1 3.74Å; I66-L598 HydrophobicContact CG2-CB 4.4Å; Y80-L598 HydrophobicContact CD2-CD2 4.49Å; Y80-L598 HydrophobicContact CE2-CD2 3.62Å; S596-L598 PolarHBondContact O-N 2.92Å; S596-L598 VanDerWaalsContact O-N 3.13Å; S596-L598 WeakPolarHBondContact OG-CB 3.2Å; L598-G600 PolarHBondContact O-N 3.13Å; L598-G600 VanDerWaalsContact O-N 3.09Å; L598-E601 PolarHBondContact O-N 2.87Å; L598-Q602 PolarHBondContact O-N 2.74Å; L598-V724 HydrophobicContact CD1-CB 4.43Å; L598-V724 HydrophobicContact CD1-CG1 3.99Å; L598-V724 HydrophobicContact CD1-CG2 4.02Å
599A78Confident75Confident0 Ų014.8 Ų14.80%08%0.077CC..Hα-helixtrans-54.9-34.8-175.900000114.2N597 E601 R603 Q727 N728 F731N597-A599 PolarHBondContact O-N 3.18Å; A599-E601 PolarHBondContact O-N 3.39Å; A599-R603 VanDerWaalsContact O-CD 3.24Å; A599-R603 WeakPolarHBondContact O-CD 3.33Å; A599-R603 WeakPolarHBondContact O-CG 3.32Å; A599-R603 PolarHBondContact O-N 3.22Å; A599-Q727 HydrophobicContact CB-CG 4.19Å; A599-N728 VanDerWaalsContact CB-OD1 3.25Å; A599-N728 WeakPolarHBondContact CB-OD1 3.49Å; A599-N728 PolarHBondContact N-OD1 2.9Å; A599-F731 HydrophobicContact CB-CB 3.29Å; A599-F731 HydrophobicContact CB-CD1 3.33Å; A599-F731 HydrophobicContact CB-CE1 4.33Å; A599-F731 HydrophobicContact CB-CG 3.54Å
600G69Low73.1Confident0 Ų015.5 Ų15.50%08%0.079CC..Hα-helixtrans-57.3-36.317400000113.1L598 F604L598-G600 PolarHBondContact O-N 3.13Å; L598-G600 VanDerWaalsContact O-N 3.09Å; G600-F604 VanDerWaalsContact O-CD2 3.22Å; G600-F604 WeakPolarHBondContact O-CD2 3.24Å; G600-F604 WeakPolarHBondContact O-CE2 3.31Å
601E75.3Confident71.3Confident15 Ų1518 Ų187%0.079%0.087CC..Hα-helixtrans-87.3-42178.7-150.7-152.5147.400112.9C127 K131 S596 L598 A599 R603 F604 A605C127-E601 HydrophobicContact CB-CG 4.5Å; K131-E601 IonicContact NZ-OE1 3.12Å; K131-E601 PolarHBondContact NZ-OE1 2.74Å; K131-E601 IonicContact NZ-OE2 2.75Å; S596-E601 WeakPolarHBondContact CB-OE2 3.17Å; S596-E601 PolarHBondContact N-OE2 3.42Å; S596-E601 PolarHBondContact OG-OE2 3.45Å; L598-E601 PolarHBondContact O-N 2.87Å; A599-E601 PolarHBondContact O-N 3.39Å; E601-R603 PolarHBondContact O-N 3.09Å; E601-R603 VanDerWaalsContact O-N 3.12Å; E601-F604 PolarHBondContact O-N 2.91Å; E601-A605 PolarHBondContact O-N 3.45Å
602Q69.2Low69.9Low58 Ų5819.2 Ų19.227%0.2719%0.093SC..Hα-helixtrans-50.8-38.9176-72.8-175.6-20.700111.7E63 S596 L598 F604 A605 S606 F731E63-Q602 PolarHBondContact OE1-NE2 3.27Å; S596-Q602 WeakPolarHBondContact O-CG 3.42Å; L598-Q602 PolarHBondContact O-N 2.74Å; Q602-F604 VanDerWaalsContact C-N 3.31Å; Q602-F604 PolarHBondContact O-N 3.03Å; Q602-A605 PolarHBondContact O-N 3.35Å; Q602-S606 WeakPolarHBondContact O-CB 2.78Å; Q602-S606 PolarHBondContact O-N 2.9Å; Q602-F731 HydrophobicContact CB-CE1 4.13Å; Q602-F731 VanDerWaalsContact OE1-CE1 3.29Å
603R63.6Low68.2Low0 Ų021.2 Ų21.20%010%0.103CC..Hα-helixtrans-54.5-38.8174.9-77.5163175.5-71.111.2113.8A599 E601 S606 T607 L636 L716 F731A599-R603 VanDerWaalsContact O-CD 3.24Å; A599-R603 WeakPolarHBondContact O-CD 3.33Å; A599-R603 WeakPolarHBondContact O-CG 3.32Å; A599-R603 PolarHBondContact O-N 3.22Å; E601-R603 PolarHBondContact O-N 3.09Å; E601-R603 VanDerWaalsContact O-N 3.12Å; R603-S606 PolarHBondContact O-OG 3.48Å; R603-T607 PolarHBondContact O-OG1 3.15Å; R603-L636 HydrophobicContact CB-CD1 4.3Å; R603-L636 HydrophobicContact CG-CD1 3.92Å; R603-L716 HydrophobicContact CB-CD2 4.05Å; R603-L716 HydrophobicContact CG-CD2 3.85Å; R603-F731 HydrophobicContact CG-CD2 4.04Å; R603-F731 HydrophobicContact CG-CE2 3.58Å; R603-F731 HydrophobicContact CG-CZ 3.89Å; R603-F731 VanDerWaalsContact NE-CD2 3.32Å; R603-F731 VanDerWaalsContact NH2-CD2 3.29Å
604F61.3Low66.5Low44 Ų4423.2 Ų23.219%0.19312%0.119CC..Hα-helixtrans-79.1-43.2178.7-57.8-53.6000112W568 G600 E601 Q602 S606 T607 V608 L716 L720W568-F604 HydrophobicContact CE3-CD1 4.42Å; W568-F604 HydrophobicContact CE3-CE1 4.16Å; W568-F604 HydrophobicContact CH2-CD1 4.45Å; W568-F604 AromaticContact CH2-CE1 3.75Å; W568-F604 HydrophobicContact CH2-CE1 3.75Å; W568-F604 HydrophobicContact CH2-CE2 4.16Å; W568-F604 AromaticContact CH2-CZ 3.58Å; W568-F604 HydrophobicContact CH2-CZ 3.58Å; W568-F604 AromaticContact CZ3-CD1 3.94Å; W568-F604 HydrophobicContact CZ3-CD1 3.94Å; W568-F604 AromaticContact CZ3-CE1 3.31Å; W568-F604 HydrophobicContact CZ3-CE1 3.31Å; W568-F604 AromaticContact CZ3-CZ 3.66Å; W568-F604 HydrophobicContact CZ3-CZ 3.66Å; G600-F604 VanDerWaalsContact O-CD2 3.22Å; G600-F604 WeakPolarHBondContact O-CD2 3.24Å; G600-F604 WeakPolarHBondContact O-CE2 3.31Å; E601-F604 PolarHBondContact O-N 2.91Å; Q602-F604 VanDerWaalsContact C-N 3.31Å; Q602-F604 PolarHBondContact O-N 3.03Å; F604-S606 VanDerWaalsContact C-N 3.32Å; F604-S606 PolarHBondContact O-N 3.19Å; F604-T607 PolarHBondContact O-N 3.13Å; F604-V608 PolarHBondContact O-N 3.35Å; F604-L716 HydrophobicContact CE1-CB 4.33Å; F604-L720 HydrophobicContact CE2-CD1 4.4Å
605A63.8Low64.8Low11 Ų1125.2 Ų25.29%0.09113%0.129CC..Hα-helixtrans-53.7-48.217500000112.7L566 I595 E601 Q602 T607 V608 A609L566-A605 HydrophobicContact CD1-CB 3.84Å; I595-A605 HydrophobicContact CB-CB 4.31Å; I595-A605 HydrophobicContact CD1-CB 3.43Å; I595-A605 VanDerWaalsContact CD1-CB 3.43Å; I595-A605 HydrophobicContact CG1-CB 3.64Å; I595-A605 HydrophobicContact CG2-CB 3.66Å; E601-A605 PolarHBondContact O-N 3.45Å; Q602-A605 PolarHBondContact O-N 3.35Å; A605-T607 PolarHBondContact O-N 3.09Å; A605-V608 PolarHBondContact O-N 3.22Å; A605-A609 WeakPolarHBondContact O-CB 3.35Å; A605-A609 PolarHBondContact O-N 3.23Å
606S56.1Low63.1Low11 Ų1125.2 Ų25.28%0.07713%0.131CC..Hα-helixtrans-44.6-50.1171.1120.90000111.4Q602 R603 F604 A609 K610 F634Q602-S606 WeakPolarHBondContact O-CB 2.78Å; Q602-S606 PolarHBondContact O-N 2.9Å; R603-S606 PolarHBondContact O-OG 3.48Å; F604-S606 VanDerWaalsContact C-N 3.32Å; F604-S606 PolarHBondContact O-N 3.19Å; S606-A609 PolarHBondContact O-N 3.17Å; S606-K610 WeakPolarHBondContact O-CE 3.43Å; S606-K610 PolarHBondContact O-N 3.26Å; S606-K610 VanDerWaalsContact O-N 3.13Å; S606-K610 WeakPolarHBondContact OG-CE 3.45Å; S606-K610 PolarHBondContact OG-NZ 2.92Å; S606-F634 PolarHBondContact OG-O 3.4Å
607T52.4Low61.1Low45 Ų4527.4 Ų27.428%0.27615%0.149SC..Hα-helixtrans-73.6-37.7-169.7-61.40000113.4R603 F604 A605 K610 R611R603-T607 PolarHBondContact O-OG1 3.15Å; F604-T607 PolarHBondContact O-N 3.13Å; A605-T607 PolarHBondContact O-N 3.09Å; T607-K610 PolarHBondContact OG1-NZ 3.22Å; T607-R611 PolarHBondContact O-N 3.35Å
608V57.6Low59Low7 Ų731.2 Ų31.24%0.04217%0.169CC..Hα-helixtrans-68.5-41.8171.4-178.90000110.7L566 A570 A573 F604 A605 K610 R611 L612L566-V608 HydrophobicContact CB-CG2 4.34Å; L566-V608 HydrophobicContact CD2-CB 3.87Å; L566-V608 HydrophobicContact CD2-CG1 3.87Å; L566-V608 HydrophobicContact CD2-CG2 3.97Å; A570-V608 HydrophobicContact CB-CB 4.47Å; A570-V608 HydrophobicContact CB-CG1 4.05Å; A573-V608 HydrophobicContact CB-CG1 3.87Å; F604-V608 PolarHBondContact O-N 3.35Å; A605-V608 PolarHBondContact O-N 3.22Å; V608-K610 PolarHBondContact O-N 3.18Å; V608-R611 PolarHBondContact O-N 2.73Å; V608-L612 HydrophobicContact CG1-CD1 4.01Å; V608-L612 HydrophobicContact CG1-CG 4.39Å; V608-L612 WeakPolarHBondContact O-CG 3.32Å; V608-L612 PolarHBondContact O-N 3.45Å
609A57.3Low56.8Low9 Ų932.5 Ų32.57%0.07418%0.177CC..Hα-helixtrans-58.5-41.7179.700000113.2A605 S606 L612 E613 L631A605-A609 WeakPolarHBondContact O-CB 3.35Å; A605-A609 PolarHBondContact O-N 3.23Å; S606-A609 PolarHBondContact O-N 3.17Å; A609-L612 WeakPolarHBondContact O-CB 3.34Å; A609-L612 PolarHBondContact O-N 2.89Å; A609-E613 PolarHBondContact O-N 2.91Å; A609-L631 HydrophobicContact CB-CD1 4.24Å; A609-L631 HydrophobicContact CB-CD2 4.14Å
610K51.3Low55.2Low15 Ų1535.1 Ų35.17%0.06519%0.189CC..Hα-helixtrans-65.6-38.8174.7-75161.3-75.1160.60114.1S606 T607 V608 L612 E613 S614 L631 F634 N635S606-K610 WeakPolarHBondContact O-CE 3.43Å; S606-K610 PolarHBondContact O-N 3.26Å; S606-K610 VanDerWaalsContact O-N 3.13Å; S606-K610 WeakPolarHBondContact OG-CE 3.45Å; S606-K610 PolarHBondContact OG-NZ 2.92Å; T607-K610 PolarHBondContact OG1-NZ 3.22Å; V608-K610 PolarHBondContact O-N 3.18Å; K610-L612 VanDerWaalsContact C-N 3.27Å; K610-L612 PolarHBondContact O-N 3.36Å; K610-E613 WeakPolarHBondContact O-CB 3.28Å; K610-E613 PolarHBondContact O-N 3.32Å; K610-S614 WeakPolarHBondContact O-CB 3.39Å; K610-S614 PolarHBondContact O-N 3.41Å; K610-L631 WeakPolarHBondContact CG-O 3.41Å; K610-F634 HydrophobicContact CD-CB 4.09Å; K610-F634 WeakPolarHBondContact CE-O 3.37Å; K610-F634 PolarHBondContact NZ-O 3.12Å; K610-N635 VanDerWaalsContact CD-CA 3.47Å; K610-N635 HydrophobicContact CD-CB 3.56Å; K610-N635 PolarHBondContact NZ-OD1 2.97Å
611R53.4Low54Low118 Ų11838.4 Ų38.445%0.44522%0.223SC..Hα-helixtrans-70.7-27.3176.6-74.5-169.9-176-170.511.2111.4A570 D571 T607 V608 S614 L615A570-R611 HydrophobicContact CB-CB 3.31Å; A570-R611 HydrophobicContact CB-CG 3.98Å; D571-R611 IonicContact OD2-CZ 2.74Å; D571-R611 IonicContact OD2-NH1 2.76Å; D571-R611 PolarHBondContact OD2-NH1 2.99Å; T607-R611 PolarHBondContact O-N 3.35Å; V608-R611 PolarHBondContact O-N 2.73Å; R611-S614 WeakPolarHBondContact O-CB 3.37Å; R611-S614 PolarHBondContact O-N 2.85Å; R611-L615 PolarHBondContact O-N 3.09Å
612L58Low52.4Low26 Ų2639.5 Ų39.514%0.13623%0.229CC..Hα-helixtrans-70.8-40168.6-65.6167.5000112.6V574 F577 F593 V608 A609 K610 S614 L615 G616V574-L612 HydrophobicContact CG2-CD2 3.58Å; F577-L612 HydrophobicContact CD2-CD2 3.77Å; F577-L612 HydrophobicContact CE2-CD1 3.96Å; F577-L612 HydrophobicContact CE2-CD2 3.77Å; F577-L612 HydrophobicContact CE2-CG 4.44Å; F593-L612 HydrophobicContact CE1-CD1 3.89Å; F593-L612 HydrophobicContact CE2-CD1 4.22Å; F593-L612 HydrophobicContact CZ-CD1 3.38Å; V608-L612 HydrophobicContact CG1-CD1 4.01Å; V608-L612 HydrophobicContact CG1-CG 4.39Å; V608-L612 WeakPolarHBondContact O-CG 3.32Å; V608-L612 PolarHBondContact O-N 3.45Å; A609-L612 WeakPolarHBondContact O-CB 3.34Å; A609-L612 PolarHBondContact O-N 2.89Å; K610-L612 VanDerWaalsContact C-N 3.27Å; K610-L612 PolarHBondContact O-N 3.36Å; L612-S614 VanDerWaalsContact C-N 3.31Å; L612-S614 PolarHBondContact O-N 3.47Å; L612-L615 CarbonylContact O-C 3.57Å; L612-L615 PolarHBondContact O-N 2.72Å; L612-L615 VanDerWaalsContact O-N 3.16Å; L612-G616 PolarHBondContact O-N 2.83Å
613E51.9Low51.3Low44 Ų4442.5 Ų42.521%0.20624%0.238CC..Hα-helixtrans-60.2-40.4169.9-171.3-171.1-129.700111.3A609 K610 L615 G616 A617 L631 S632A609-E613 PolarHBondContact O-N 2.91Å; K610-E613 WeakPolarHBondContact O-CB 3.28Å; K610-E613 PolarHBondContact O-N 3.32Å; E613-L615 VanDerWaalsContact C-N 3.34Å; E613-L615 PolarHBondContact O-N 2.74Å; E613-G616 CarbonylContact O-C 3.56Å; E613-G616 WeakPolarHBondContact O-CA 3.35Å; E613-G616 PolarHBondContact O-N 2.92Å; E613-A617 PolarHBondContact O-N 2.85Å; E613-L631 HydrophobicContact CB-CB 4.14Å; E613-L631 HydrophobicContact CB-CD1 4.25Å; E613-L631 HydrophobicContact CG-CB 4.3Å; E613-L631 PolarHBondContact OE1-N 3.38Å; E613-S632 VanDerWaalsContact CD-N 3.29Å; E613-S632 PolarHBondContact OE1-N 3.28Å; E613-S632 WeakPolarHBondContact OE2-CA 3.21Å; E613-S632 WeakPolarHBondContact OE2-CB 3.34Å; E613-S632 PolarHBondContact OE2-N 3.41Å
614S48.8Very low50.4Low56 Ų5651.1 Ų51.139%0.39227%0.271SS..Hα-helixtrans-64.7-32.6172.8-172.50000113.1K610 R611 L612 G616 A617 L618K610-S614 WeakPolarHBondContact O-CB 3.39Å; K610-S614 PolarHBondContact O-N 3.41Å; R611-S614 WeakPolarHBondContact O-CB 3.37Å; R611-S614 PolarHBondContact O-N 2.85Å; L612-S614 VanDerWaalsContact C-N 3.31Å; L612-S614 PolarHBondContact O-N 3.47Å; S614-G616 VanDerWaalsContact C-N 3.35Å; S614-A617 CarbonylContact O-C 3.56Å; S614-A617 WeakPolarHBondContact O-CA 3.35Å; S614-A617 VanDerWaalsContact O-CB 3.31Å; S614-A617 WeakPolarHBondContact O-CB 3.13Å; S614-A617 PolarHBondContact O-N 2.87Å; S614-A617 VanDerWaalsContact O-N 3.09Å; S614-L618 PolarHBondContact O-N 3.41Å
615L51.1Low49.5Very low42 Ų4250.4 Ų50.422%0.2227%0.273CS..Hα-helixtrans-73.4-27.8168.3-80.3156.7000112.8V574 R611 L612 E613 A617 L618 T619V574-L615 HydrophobicContact CB-CD1 3.94Å; V574-L615 HydrophobicContact CG1-CD1 3.64Å; V574-L615 HydrophobicContact CG2-CD1 3.17Å; R611-L615 PolarHBondContact O-N 3.09Å; L612-L615 CarbonylContact O-C 3.57Å; L612-L615 PolarHBondContact O-N 2.72Å; L612-L615 VanDerWaalsContact O-N 3.16Å; E613-L615 VanDerWaalsContact C-N 3.34Å; E613-L615 PolarHBondContact O-N 2.74Å; L615-A617 VanDerWaalsContact C-N 3.3Å; L615-L618 HydrophobicContact CD2-CB 4.44Å; L615-L618 HydrophobicContact CD2-CD1 3.77Å; L615-L618 HydrophobicContact CG-CD1 4.27Å; L615-L618 PolarHBondContact O-N 3.44Å; L615-T619 VanDerWaalsContact O-CB 3.31Å; L615-T619 WeakPolarHBondContact O-CB 3.44Å; L615-T619 VanDerWaalsContact O-CG2 3.24Å; L615-T619 WeakPolarHBondContact O-CG2 3.11Å; L615-T619 PolarHBondContact O-N 3.3Å; L615-T619 PolarHBondContact O-OG1 2.9Å
616G49.3Very low48.5Very low9 Ų951.7 Ų51.79%0.09328%0.28CS..Hα-helixtrans-53.6-47.515900000111.4L612 E613 S614 T619 H620L612-G616 PolarHBondContact O-N 2.83Å; E613-G616 CarbonylContact O-C 3.56Å; E613-G616 WeakPolarHBondContact O-CA 3.35Å; E613-G616 PolarHBondContact O-N 2.92Å; S614-G616 VanDerWaalsContact C-N 3.35Å; G616-T619 CarbonylContact O-C 3.45Å; G616-T619 PolarHBondContact O-N 3.13Å; G616-T619 PolarHBondContact O-OG1 3.48Å; G616-H620 WeakPolarHBondContact O-CA 3.18Å; G616-H620 WeakPolarHBondContact O-CB 3.27Å; G616-H620 PolarHBondContact O-CD2 3.39Å; G616-H620 VanDerWaalsContact O-CG 3.3Å; G616-H620 PolarHBondContact O-N 3.22Å
617A44.4Very low48Very low46 Ų4660.4 Ų60.438%0.3832%0.319SS..Hα-helixtrans-64.2-40.3175.800000113.8E613 S614 L615 H620E613-A617 PolarHBondContact O-N 2.85Å; S614-A617 CarbonylContact O-C 3.56Å; S614-A617 WeakPolarHBondContact O-CA 3.35Å; S614-A617 VanDerWaalsContact O-CB 3.31Å; S614-A617 WeakPolarHBondContact O-CB 3.13Å; S614-A617 PolarHBondContact O-N 2.87Å; S614-A617 VanDerWaalsContact O-N 3.09Å; L615-A617 VanDerWaalsContact C-N 3.3Å; A617-H620 WeakPolarHBondContact O-CB 3.3Å; A617-H620 PolarHBondContact O-N 2.98Å
618L40.6Very low47.5Very low99 Ų9961.6 Ų61.652%0.51833%0.327SS..Hα-helixtrans-67.7-35.5175.8-72.4161.1000112.7Q51 S614 L615Q51-L618 PolarHBondContact OE1-O 2.92Å; S614-L618 PolarHBondContact O-N 3.41Å; L615-L618 HydrophobicContact CD2-CB 4.44Å; L615-L618 HydrophobicContact CD2-CD1 3.77Å; L615-L618 HydrophobicContact CG-CD1 4.27Å; L615-L618 PolarHBondContact O-N 3.44Å
619T40.7Very low46.9Very low27 Ų2770 Ų7017%0.16636%0.358CS..Hα-helixtrans-88.5-0.9179.259.60000113.8Q51 F54 L615 G616 G621 D622Q51-T619 HydrophobicContact CB-CG2 4.35Å; Q51-T619 VanDerWaalsContact OE1-CG2 3.23Å; F54-T619 HydrophobicContact CD2-CG2 4.08Å; F54-T619 HydrophobicContact CE2-CG2 3.86Å; L615-T619 VanDerWaalsContact O-CB 3.31Å; L615-T619 WeakPolarHBondContact O-CB 3.44Å; L615-T619 VanDerWaalsContact O-CG2 3.24Å; L615-T619 WeakPolarHBondContact O-CG2 3.11Å; L615-T619 PolarHBondContact O-N 3.3Å; L615-T619 PolarHBondContact O-OG1 2.9Å; G616-T619 CarbonylContact O-C 3.45Å; G616-T619 PolarHBondContact O-N 3.13Å; G616-T619 PolarHBondContact O-OG1 3.48Å; T619-G621 PolarHBondContact O-N 3.32Å; T619-D622 PolarHBondContact O-N 3.01Å
620H44Very low46.4Very low56 Ų5674.2 Ų74.226%0.25938%0.379SS..THydrogen-bonded Turntrans-70.317.2-162.9-128-38000117G616 A617 D622 T626G616-H620 WeakPolarHBondContact O-CA 3.18Å; G616-H620 WeakPolarHBondContact O-CB 3.27Å; G616-H620 PolarHBondContact O-CD2 3.39Å; G616-H620 VanDerWaalsContact O-CG 3.3Å; G616-H620 PolarHBondContact O-N 3.22Å; A617-H620 WeakPolarHBondContact O-CB 3.3Å; A617-H620 PolarHBondContact O-N 2.98Å; H620-D622 CarbonylContact C-O 3.58Å; H620-D622 PolarHBondContact ND1-O 3.03Å; H620-D622 VanDerWaalsContact ND1-O 3.09Å; H620-D622 PolarHBondContact O-N 3.18Å; H620-T626 PolarHBondContact CE1-OG1 2.98Å; H620-T626 PolarHBondContact NE2-OG1 3.34Å
621G43.6Very low46Very low69 Ų6975 Ų7571%0.71138%0.384SS*.THydrogen-bonded Turntrans-61.2-31.2162.900000112.5T619T619-G621 PolarHBondContact O-N 3.32Å
622D42.1Very low45.5Very low38 Ų3872.7 Ų72.720%0.20339%0.386CS..SBendtrans-87.3144.6165.2-153.7-29.7000110.4S53 T619 H620 R624S53-D622 PolarHBondContact OG-OD2 2.62Å; T619-D622 PolarHBondContact O-N 3.01Å; H620-D622 CarbonylContact C-O 3.58Å; H620-D622 PolarHBondContact ND1-O 3.03Å; H620-D622 VanDerWaalsContact ND1-O 3.09Å; H620-D622 PolarHBondContact O-N 3.18Å; D622-R624 PolarHBondContact OD1-N 3.13Å; D622-R624 IonicContact OD1-NE 3.66Å; D622-R624 PolarHBondContact OD1-NE 2.86Å; D622-R624 IonicContact OD1-NH2 2.88Å
623R45.6Very low45Very low121 Ų12176.6 Ų76.646%0.45740%0.403SS..SBendtrans-101.82-175.6-88.9-166.5175.681.74114.4
624R45.1Very low44.9Very low180 Ų18079.3 Ų79.368%0.67942%0.415SS*.SBendtrans-114.512.8-165.3-69174.4-73.4-163.4-0.6114.9D622D622-R624 PolarHBondContact OD1-N 3.13Å; D622-R624 IonicContact OD1-NE 3.66Å; D622-R624 PolarHBondContact OD1-NE 2.86Å; D622-R624 IonicContact OD1-NH2 2.88Å
625A43Very low45.3Very low29 Ų2980.1 Ų80.124%0.2441%0.414CS..SBendtrans-104.7-11.6-173.100000115.2F54F54-A625 HydrophobicContact CB-CB 4.02Å
626T41.7Very low45.9Very low39 Ų3978.4 Ų78.424%0.23941%0.405CS..  trans-145.572.1-161.239.70000112.8H620H620-T626 PolarHBondContact CE1-OG1 2.98Å; H620-T626 PolarHBondContact NE2-OG1 3.34Å
627E44.9Very low46.6Very low194 Ų19482.3 Ų82.391%0.90742%0.424SS*.  trans-77.7-8.8160.9-65-166.9149.400112.3R629E627-R629 VanDerWaalsContact C-N 3.29Å; E627-R629 PolarHBondContact O-N 3.19Å
628T43.5Very low47.8Very low70 Ų7082 Ų8243%0.42942%0.418SS..  trans-66.276.2170.7330000112.2D630T628-D630 PolarHBondContact O-N 3.33Å
629R44.1Very low49.4Very low183 Ų18385.2 Ų85.269%0.69143%0.428SS*.THydrogen-bonded Turntrans-78.416.4172.4-59.7178.469.9-179.42.9113.7E627E627-R629 VanDerWaalsContact C-N 3.29Å; E627-R629 PolarHBondContact O-N 3.19Å
630D46.9Very low51.3Low97 Ų9785.1 Ų85.152%0.51943%0.426SS..THydrogen-bonded Turntrans-128.9-8-152.3-140.515.4000114.1T628 Q633T628-D630 PolarHBondContact O-N 3.33Å; D630-Q633 PolarHBondContact OD1-NE2 3.35Å
631L43.4Very low53Low32 Ų3282.4 Ų82.417%0.16841%0.413CS..SBendtrans-84-28.2-178.2-56.5176.6000111.4I61 A609 K610 E613 Q633 F634I61-L631 HydrophobicContact CD1-CD2 4.48Å; A609-L631 HydrophobicContact CB-CD1 4.24Å; A609-L631 HydrophobicContact CB-CD2 4.14Å; K610-L631 WeakPolarHBondContact CG-O 3.41Å; E613-L631 HydrophobicContact CB-CB 4.14Å; E613-L631 HydrophobicContact CB-CD1 4.25Å; E613-L631 HydrophobicContact CG-CB 4.3Å; E613-L631 PolarHBondContact OE1-N 3.38Å; L631-Q633 PolarHBondContact O-N 3.15Å; L631-Q633 VanDerWaalsContact O-N 3.09Å; L631-F634 WeakPolarHBondContact O-CD2 3.31Å; L631-F634 PolarHBondContact O-N 3.39Å
632S42.5Very low54.9Low70 Ų7083.7 Ų83.749%0.4940%0.397SS..G310 helixtrans-56.2-25.2176.962.30000114.8E613 F634E613-S632 VanDerWaalsContact CD-N 3.29Å; E613-S632 PolarHBondContact OE1-N 3.28Å; E613-S632 WeakPolarHBondContact OE2-CA 3.21Å; E613-S632 WeakPolarHBondContact OE2-CB 3.34Å; E613-S632 PolarHBondContact OE2-N 3.41Å; S632-F634 PolarHBondContact O-N 3.06Å
633Q47.4Very low56.9Low108 Ų10886.1 Ų86.151%0.50541%0.407SS..G310 helixtrans-57.4-36.7179.8-57.7-147.460.500112.2D630 L631 N635D630-Q633 PolarHBondContact OD1-NE2 3.35Å; L631-Q633 PolarHBondContact O-N 3.15Å; L631-Q633 VanDerWaalsContact O-N 3.09Å; Q633-N635 PolarHBondContact O-N 3.34Å
634F50.1Low58.9Low101 Ų10180.3 Ų80.344%0.44339%0.385SS..G310 helixtrans-79.616.4-166.5-66.4-80.9000114.8S606 K610 L631 S632 L636S606-F634 PolarHBondContact OG-O 3.4Å; K610-F634 HydrophobicContact CD-CB 4.09Å; K610-F634 WeakPolarHBondContact CE-O 3.37Å; K610-F634 PolarHBondContact NZ-O 3.12Å; L631-F634 WeakPolarHBondContact O-CD2 3.31Å; L631-F634 PolarHBondContact O-N 3.39Å; S632-F634 PolarHBondContact O-N 3.06Å; F634-L636 VanDerWaalsContact C-N 3.31Å; F634-L636 WeakPolarHBondContact O-CD2 3.2Å; F634-L636 WeakPolarHBondContact O-CG 3.47Å; F634-L636 PolarHBondContact O-N 2.93Å
635N56.6Low60.9Low72 Ų7271.8 Ų71.839%0.38535%0.353SS..  trans-80.172.2-165.2-149.113.3000115.1K610 Q633 D637 T638K610-N635 VanDerWaalsContact CD-CA 3.47Å; K610-N635 HydrophobicContact CD-CB 3.56Å; K610-N635 PolarHBondContact NZ-OD1 2.97Å; Q633-N635 PolarHBondContact O-N 3.34Å; N635-D637 PolarHBondContact O-N 3.44Å; N635-T638 HydrophobicContact CB-CG2 3.73Å; N635-T638 VanDerWaalsContact ND2-CG2 3.32Å; N635-T638 WeakPolarHBondContact ND2-CG2 3.4Å; N635-T638 WeakPolarHBondContact O-CB 3.35Å; N635-T638 WeakPolarHBondContact O-CG2 3.24Å; N635-T638 PolarHBondContact O-N 3.21Å; N635-T638 PolarHBondContact O-OG1 3.11Å
636L64.2Low62.9Low6 Ų673.8 Ų73.83%0.03136%0.357CS..  trans-61.8-41.6-173.1-45.3-170.4000113.5R603 F634 T638 G641 M712 L716 F731 F734 L738R603-L636 HydrophobicContact CB-CD1 4.3Å; R603-L636 HydrophobicContact CG-CD1 3.92Å; F634-L636 VanDerWaalsContact C-N 3.31Å; F634-L636 WeakPolarHBondContact O-CD2 3.2Å; F634-L636 WeakPolarHBondContact O-CG 3.47Å; F634-L636 PolarHBondContact O-N 2.93Å; L636-T638 PolarHBondContact O-N 3.01Å; L636-G641 VanDerWaalsContact O-CA 3.24Å; L636-G641 WeakPolarHBondContact O-CA 3.37Å; L636-M712 HydrophobicContact CB-SD 4.31Å; L636-M712 WeakPolarHBondContact O-CE 3.43Å; L636-L716 HydrophobicContact CD1-CD2 4.39Å; L636-F731 HydrophobicContact CD1-CE2 4.17Å; L636-F734 HydrophobicContact CB-CZ 4.43Å; L636-F734 HydrophobicContact CD1-CE1 4.09Å; L636-F734 HydrophobicContact CD2-CE1 3.95Å; L636-F734 HydrophobicContact CD2-CZ 4.47Å; L636-F734 HydrophobicContact CG-CE1 4.39Å; L636-L738 HydrophobicContact CD2-CD2 3.51Å
637D64.6Low65.1Low92 Ų9274.3 Ų74.349%0.49236%0.358SS..SBendtrans-88.855.4176-16117.7000112.3N635 R642 M712N635-D637 PolarHBondContact O-N 3.44Å; D637-R642 IonicContact OD1-CZ 3.33Å; D637-R642 IonicContact OD1-NH1 3.62Å; D637-R642 PolarHBondContact OD1-NH1 2.83Å; D637-M712 HydrophobicContact CB-CB 4.38Å; D637-M712 HydrophobicContact CB-CG 4.1Å
638T69.1Low67.2Low40 Ų4065.1 Ų65.125%0.24532%0.315CS..SBendtrans-105.9168.4165.852.50000109.9N635 L636 L640 G641 R642N635-T638 HydrophobicContact CB-CG2 3.73Å; N635-T638 VanDerWaalsContact ND2-CG2 3.32Å; N635-T638 WeakPolarHBondContact ND2-CG2 3.4Å; N635-T638 WeakPolarHBondContact O-CB 3.35Å; N635-T638 WeakPolarHBondContact O-CG2 3.24Å; N635-T638 PolarHBondContact O-N 3.21Å; N635-T638 PolarHBondContact O-OG1 3.11Å; L636-T638 PolarHBondContact O-N 3.01Å; T638-L640 PolarHBondContact O-N 2.88Å; T638-G641 PolarHBondContact O-N 2.92Å; T638-G641 VanDerWaalsContact O-N 3.09Å; T638-G641 PolarHBondContact OG1-N 3.22Å; T638-G641 VanDerWaalsContact OG1-N 3.17Å; T638-R642 PolarHBondContact O-N 2.8Å
639K75Confident69.2Low166 Ų16662.1 Ų62.172%0.72230%0.296SS*.Hα-helixtrans-50.8-41.3168.1-176.5173.3179.4173.40111.8R642 E643K639-R642 PolarHBondContact O-N 2.98Å; K639-E643 WeakPolarHBondContact O-CB 3.41Å; K639-E643 PolarHBondContact O-N 3.5Å
640L79.1Confident71.2Confident24 Ų2457.7 Ų57.713%0.12628%0.28CS..Hα-helixtrans-70.1-33.8179.2-59-176.5000113.2T638 A644 L738 V741 A745 L751T638-L640 PolarHBondContact O-N 2.88Å; L640-A644 VanDerWaalsContact O-CB 3.32Å; L640-A644 WeakPolarHBondContact O-CB 3.38Å; L640-A644 PolarHBondContact O-N 3.38Å; L640-L738 HydrophobicContact CB-CD1 4.21Å; L640-V741 HydrophobicContact CB-CG1 4.09Å; L640-V741 HydrophobicContact CD2-CG1 4.11Å; L640-A745 HydrophobicContact CD1-CB 3.66Å; L640-A745 HydrophobicContact CD2-CB 3.9Å; L640-A745 HydrophobicContact CG-CB 4.47Å; L640-L751 HydrophobicContact CD1-CD1 3.92Å
641G80.4Confident73.1Confident0 Ų053.3 Ų53.30%026%0.257CS..Hα-helixtrans-76.5-27.9175.200000114.2L636 T638 L645 M712L636-G641 VanDerWaalsContact O-CA 3.24Å; L636-G641 WeakPolarHBondContact O-CA 3.37Å; T638-G641 PolarHBondContact O-N 2.92Å; T638-G641 VanDerWaalsContact O-N 3.09Å; T638-G641 PolarHBondContact OG1-N 3.22Å; T638-G641 VanDerWaalsContact OG1-N 3.17Å; G641-L645 VanDerWaalsContact O-CB 3.32Å; G641-L645 WeakPolarHBondContact O-CB 3.25Å; G641-L645 PolarHBondContact O-N 3.09Å; G641-M712 WeakPolarHBondContact O-CE 3.44Å
642R82.6Confident75.1Confident95 Ų9552 Ų5236%0.35825%0.25SS..Hα-helixtrans-72.7-37.8167.7-64.9-168.6-64.6-95.19.4112D637 T638 K639 L645 E646 M712D637-R642 IonicContact OD1-CZ 3.33Å; D637-R642 IonicContact OD1-NH1 3.62Å; D637-R642 PolarHBondContact OD1-NH1 2.83Å; T638-R642 PolarHBondContact O-N 2.8Å; K639-R642 PolarHBondContact O-N 2.98Å; R642-L645 PolarHBondContact O-N 2.93Å; R642-E646 PolarHBondContact O-N 3Å; R642-M712 HydrophobicContact CG-CB 4.48Å
643E84.5Confident76.9Confident89 Ų8949.6 Ų49.642%0.41623%0.232SC..Hα-helixtrans-60.2-48169.9-176.6178.6159.300111.3K639 L645 E646 L647 V741K639-E643 WeakPolarHBondContact O-CB 3.41Å; K639-E643 PolarHBondContact O-N 3.5Å; E643-L645 PolarHBondContact O-N 3.32Å; E643-E646 PolarHBondContact O-N 3.03Å; E643-L647 HydrophobicContact CG-CD1 4.38Å; E643-L647 WeakPolarHBondContact O-CD1 3.39Å; E643-L647 WeakPolarHBondContact O-CG 3.49Å; E643-L647 PolarHBondContact O-N 3.46Å; E643-L647 VanDerWaalsContact O-N 3.13Å; E643-V741 HydrophobicContact CG-CG1 4.3Å
644A87.6Confident78.4Confident0 Ų051.2 Ų51.20%023%0.233CC..Hα-helixtrans-63.9-36.3174.800000113.2L640 L647 V648 F734 T737 L738 V741L640-A644 VanDerWaalsContact O-CB 3.32Å; L640-A644 WeakPolarHBondContact O-CB 3.38Å; L640-A644 PolarHBondContact O-N 3.38Å; A644-L647 PolarHBondContact O-N 2.86Å; A644-V648 VanDerWaalsContact O-CG2 3.23Å; A644-V648 WeakPolarHBondContact O-CG2 3.22Å; A644-V648 PolarHBondContact O-N 2.84Å; A644-F734 HydrophobicContact CB-CE2 4.43Å; A644-T737 HydrophobicContact CB-CG2 4.13Å; A644-L738 HydrophobicContact CB-CB 3.98Å; A644-L738 HydrophobicContact CB-CD1 4.18Å; A644-V741 HydrophobicContact CB-CG2 4.3Å
645L87.6Confident79.7Confident0 Ų049.3 Ų49.30%024%0.243CC..Hα-helixtrans-64.5-45.2174.9177.556.7000111.9G641 R642 E643 L647 V648 L649 M712 F715 F734G641-L645 VanDerWaalsContact O-CB 3.32Å; G641-L645 WeakPolarHBondContact O-CB 3.25Å; G641-L645 PolarHBondContact O-N 3.09Å; R642-L645 PolarHBondContact O-N 2.93Å; E643-L645 PolarHBondContact O-N 3.32Å; L645-L647 VanDerWaalsContact C-N 3.34Å; L645-L647 PolarHBondContact O-N 3.36Å; L645-V648 PolarHBondContact O-N 3.35Å; L645-L649 HydrophobicContact CD1-CD1 3.84Å; L645-L649 HydrophobicContact CD1-CD2 4.47Å; L645-L649 HydrophobicContact CD1-CG 3.85Å; L645-L649 HydrophobicContact CG-CD1 3.96Å; L645-L649 HydrophobicContact CG-CG 4.37Å; L645-L649 WeakPolarHBondContact O-CG 3.24Å; L645-L649 PolarHBondContact O-N 3.29Å; L645-M712 HydrophobicContact CB-CE 3.83Å; L645-M712 HydrophobicContact CD2-CE 3.83Å; L645-M712 HydrophobicContact CD2-SD 4.35Å; L645-M712 HydrophobicContact CG-CE 4.4Å; L645-F715 HydrophobicContact CD1-CB 4.14Å; L645-F715 HydrophobicContact CD1-CD1 3.29Å; L645-F715 HydrophobicContact CD1-CD2 4Å; L645-F715 HydrophobicContact CD1-CE1 3.43Å; L645-F715 VanDerWaalsContact CD1-CE1 3.43Å; L645-F715 HydrophobicContact CD1-CE2 4.14Å; L645-F715 HydrophobicContact CD1-CG 3.57Å; L645-F715 HydrophobicContact CD1-CZ 3.87Å; L645-F715 HydrophobicContact CD2-CB 3.89Å; L645-F715 HydrophobicContact CD2-CD1 4.03Å; L645-F715 HydrophobicContact CD2-CG 4.19Å; L645-F715 HydrophobicContact CG-CD1 4.3Å; L645-F734 HydrophobicContact CB-CE2 4.03Å
646E85.8Confident80.9Confident72 Ų7249 Ų4934%0.33624%0.241SC..Hα-helixtrans-57.9-49.5176.7-169.6-172.3129.800110.3R642 E643 V648 L649 R650 N710R642-E646 PolarHBondContact O-N 3Å; E643-E646 PolarHBondContact O-N 3.03Å; E646-V648 VanDerWaalsContact C-N 3.34Å; E646-V648 PolarHBondContact O-N 3.37Å; E646-L649 PolarHBondContact O-N 2.92Å; E646-R650 HydrophobicContact CG-CG 4.36Å; E646-R650 WeakPolarHBondContact O-CB 3.33Å; E646-R650 WeakPolarHBondContact O-CG 3.49Å; E646-R650 PolarHBondContact O-N 2.71Å; E646-R650 IonicContact OE1-NH1 3.88Å; E646-N710 PolarHBondContact OE2-ND2 3.25Å
647L87.5Confident81.6Confident50 Ų5058.1 Ų58.126%0.26228%0.283SS..Hα-helixtrans-57.2-43.1178-71.1159.2000113.1E643 A644 L645 R650 A651 I659 T737 V741E643-L647 HydrophobicContact CG-CD1 4.38Å; E643-L647 WeakPolarHBondContact O-CD1 3.39Å; E643-L647 WeakPolarHBondContact O-CG 3.49Å; E643-L647 PolarHBondContact O-N 3.46Å; E643-L647 VanDerWaalsContact O-N 3.13Å; A644-L647 PolarHBondContact O-N 2.86Å; L645-L647 VanDerWaalsContact C-N 3.34Å; L645-L647 PolarHBondContact O-N 3.36Å; L647-R650 PolarHBondContact O-N 3.37Å; L647-A651 PolarHBondContact O-N 3.48Å; L647-I659 HydrophobicContact CD1-CD1 3.6Å; L647-I659 HydrophobicContact CD2-CD1 4.02Å; L647-I659 HydrophobicContact CD2-CG1 4.48Å; L647-I659 HydrophobicContact CG-CD1 4.4Å; L647-T737 HydrophobicContact CB-CG2 4.36Å; L647-V741 HydrophobicContact CD1-CG2 3.82Å
648V88.9Confident82.3Confident1 Ų155.5 Ų55.51%0.00628%0.278CS..Hα-helixtrans-66.3-47177.21680000111.5A644 L645 E646 R650 A651 C652 L730 Y733 F734 T737A644-V648 VanDerWaalsContact O-CG2 3.23Å; A644-V648 WeakPolarHBondContact O-CG2 3.22Å; A644-V648 PolarHBondContact O-N 2.84Å; L645-V648 PolarHBondContact O-N 3.35Å; E646-V648 VanDerWaalsContact C-N 3.34Å; E646-V648 PolarHBondContact O-N 3.37Å; V648-R650 VanDerWaalsContact C-N 3.25Å; V648-R650 PolarHBondContact O-N 3.07Å; V648-A651 PolarHBondContact O-N 3.21Å; V648-C652 WeakPolarHBondContact O-CB 3.36Å; V648-C652 PolarHBondContact O-N 3.12Å; V648-C652 PolarHBondContact O-SG 2.8Å; V648-L730 HydrophobicContact CG1-CD1 4.03Å; V648-Y733 HydrophobicContact CG1-CD1 4.03Å; V648-Y733 HydrophobicContact CG1-CE1 4.35Å; V648-Y733 HydrophobicContact CG2-CD1 4.12Å; V648-Y733 HydrophobicContact CG2-CE1 4.18Å; V648-F734 HydrophobicContact CG1-CB 4.5Å; V648-F734 HydrophobicContact CG2-CB 4.16Å; V648-F734 HydrophobicContact CG2-CD2 4.26Å; V648-T737 HydrophobicContact CG2-CG2 4.07Å
649L86.5Confident83.1Confident6 Ų655.9 Ų55.93%0.03128%0.278CS..Hα-helixtrans-64-33.8177.6-68.5176.4000111.4L645 E646 I653 L694 S709L645-L649 HydrophobicContact CD1-CD1 3.84Å; L645-L649 HydrophobicContact CD1-CD2 4.47Å; L645-L649 HydrophobicContact CD1-CG 3.85Å; L645-L649 HydrophobicContact CG-CD1 3.96Å; L645-L649 HydrophobicContact CG-CG 4.37Å; L645-L649 WeakPolarHBondContact O-CG 3.24Å; L645-L649 PolarHBondContact O-N 3.29Å; E646-L649 PolarHBondContact O-N 2.92Å; L649-I653 HydrophobicContact CB-CD1 4.36Å; L649-I653 HydrophobicContact CD2-CD1 4.22Å; L649-I653 WeakPolarHBondContact O-CB 3.15Å; L649-I653 WeakPolarHBondContact O-CG1 3.32Å; L649-I653 PolarHBondContact O-N 2.78Å; L649-L694 HydrophobicContact CD2-CD1 4.14Å; L649-S709 WeakPolarHBondContact CD1-O 3.42Å
650R85Confident83.6Confident91 Ų9149.4 Ų49.434%0.34325%0.253SS..Iπ-helixtrans-63.9-48.7174.7-71.1170.573.1110.518.7112.5E646 L647 V648 W654 G655 D656E646-R650 HydrophobicContact CG-CG 4.36Å; E646-R650 WeakPolarHBondContact O-CB 3.33Å; E646-R650 WeakPolarHBondContact O-CG 3.49Å; E646-R650 PolarHBondContact O-N 2.71Å; E646-R650 IonicContact OE1-NH1 3.88Å; L647-R650 PolarHBondContact O-N 3.37Å; V648-R650 VanDerWaalsContact C-N 3.25Å; V648-R650 PolarHBondContact O-N 3.07Å; R650-W654 HydrophobicContact CB-CE3 4.04Å; R650-W654 HydrophobicContact CB-CZ3 4.37Å; R650-W654 HydrophobicContact CG-CE3 3.68Å; R650-W654 HydrophobicContact CG-CZ3 3.64Å; R650-W654 PolarHBondContact O-N 3.12Å; R650-G655 PolarHBondContact O-N 3.32Å; R650-G655 VanDerWaalsContact O-N 3.11Å; R650-D656 HydrophobicContact CB-CB 4.06Å; R650-D656 IonicContact CZ-OD2 3.93Å; R650-D656 IonicContact NE-OD2 3.33Å; R650-D656 PolarHBondContact NE-OD2 3.42Å; R650-D656 IonicContact NH2-OD2 3.49Å; R650-D656 PolarHBondContact NH2-OD2 3.27Å; R650-D656 PolarHBondContact O-N 3.37Å
651A86.7Confident83.9Confident5 Ų554.3 Ų54.34%0.04128%0.279CS..Iπ-helixtrans-60-50.717500000111.5L647 V648 G655 D656 F687 Y733L647-A651 PolarHBondContact O-N 3.48Å; V648-A651 PolarHBondContact O-N 3.21Å; A651-G655 WeakPolarHBondContact O-CA 3.24Å; A651-G655 PolarHBondContact O-N 2.98Å; A651-D656 WeakPolarHBondContact CA-O 3.37Å; A651-F687 HydrophobicContact CB-CE1 4.16Å; A651-Y733 HydrophobicContact CB-CE1 4.45Å
652C85.1Confident84Confident3 Ų355.2 Ų55.22%0.0229%0.285CS..Iπ-helixtrans-73-31.8-174.7-60.70000114.8V648 F687 V690 L694V648-C652 WeakPolarHBondContact O-CB 3.36Å; V648-C652 PolarHBondContact O-N 3.12Å; V648-C652 PolarHBondContact O-SG 2.8Å; C652-F687 HydrophobicContact CB-CD1 4.48Å; C652-V690 HydrophobicContact CB-CG1 3.75Å; C652-L694 HydrophobicContact CB-CD1 4.19Å
653I80.1Confident84Confident20 Ų2051.1 Ų51.110%0.10327%0.27CS..Iπ-helixtrans-96.2-49.6-176.1-61.3175.6000111.6L649 K691 L694L649-I653 HydrophobicContact CB-CD1 4.36Å; L649-I653 HydrophobicContact CD2-CD1 4.22Å; L649-I653 WeakPolarHBondContact O-CB 3.15Å; L649-I653 WeakPolarHBondContact O-CG1 3.32Å; L649-I653 PolarHBondContact O-N 2.78Å; I653-K691 WeakPolarHBondContact O-CE 3.41Å; I653-K691 PolarHBondContact O-NZ 2.96Å; I653-L694 HydrophobicContact CG1-CD1 4.24Å
654W79.1Confident83.4Confident142 Ų14250.5 Ų50.554%0.53827%0.27SS..Iπ-helixtrans-99.5-19.2-172.5-59.7-59.5000113.9R650R650-W654 HydrophobicContact CB-CE3 4.04Å; R650-W654 HydrophobicContact CB-CZ3 4.37Å; R650-W654 HydrophobicContact CG-CE3 3.68Å; R650-W654 HydrophobicContact CG-CZ3 3.64Å; R650-W654 PolarHBondContact O-N 3.12Å
655G78.3Confident82.8Confident62 Ų6255.5 Ų55.564%0.63930%0.297SS*.  trans88.722.4179.300000114.1R650 A651R650-G655 PolarHBondContact O-N 3.32Å; R650-G655 VanDerWaalsContact O-N 3.11Å; A651-G655 WeakPolarHBondContact O-CA 3.24Å; A651-G655 PolarHBondContact O-N 2.98Å
656D82.2Confident82.3Confident64 Ų6456 Ų5634%0.34230%0.298SS..PPolyproline II helixtrans-62.1149.1172.1-77.712.3000111.2R650 A651 G658R650-D656 HydrophobicContact CB-CB 4.06Å; R650-D656 IonicContact CZ-OD2 3.93Å; R650-D656 IonicContact NE-OD2 3.33Å; R650-D656 PolarHBondContact NE-OD2 3.42Å; R650-D656 IonicContact NH2-OD2 3.49Å; R650-D656 PolarHBondContact NH2-OD2 3.27Å; R650-D656 PolarHBondContact O-N 3.37Å; A651-D656 WeakPolarHBondContact CA-O 3.37Å; D656-G658 PolarHBondContact O-N 2.87Å
657E78.4Confident81.5Confident198 Ų19859 Ų5993%0.92532%0.316SS*.PPolyproline II helixtrans-61.7118.2174.6-70.8-174.3165.300111.4
658G79.6Confident80.4Confident37 Ų3758.1 Ų58.138%0.38131%0.313SS..PPolyproline II helixtrans-65.5151.8176.700000113.1D656 V660D656-G658 PolarHBondContact O-N 2.87Å; G658-V660 VanDerWaalsContact C-N 3.27Å
659I84.9Confident78.9Confident48 Ų4863.5 Ų63.525%0.24634%0.341CS..SBendtrans-75.1-20.8172.8-78.4-175.7000112.3L647 E740 V741L647-I659 HydrophobicContact CD1-CD1 3.6Å; L647-I659 HydrophobicContact CD2-CD1 4.02Å; L647-I659 HydrophobicContact CD2-CG1 4.48Å; L647-I659 HydrophobicContact CG-CD1 4.4Å; I659-E740 HydrophobicContact CG2-CB 4Å; I659-E740 HydrophobicContact CG2-CG 3.28Å; I659-V741 HydrophobicContact CD1-CG2 4.4Å
660V86Confident77.3Confident31 Ų3167.5 Ų67.519%0.18837%0.366CS..SBendtrans-132.8152.2178.7-169.40000107.9G658 Y733 E736 E740G658-V660 VanDerWaalsContact C-N 3.27Å; V660-Y733 HydrophobicContact CB-CE2 4.43Å; V660-Y733 WeakPolarHBondContact O-CE2 3.26Å; V660-Y733 PolarHBondContact O-OH 3.01Å; V660-E736 HydrophobicContact CG1-CB 4.07Å; V660-E740 HydrophobicContact CG2-CB 4.13Å
661D84.3Confident75.2Confident126 Ų12668.9 Ų68.967%0.67439%0.389SS*.PPolyproline II helixtrans-72.4152.1173.1-53.8-55000111.2Y733D661-Y733 WeakPolarHBondContact O-CE2 3.16Å
662P83.5Confident73.1Confident19 Ų1974.4 Ų74.412%0.12342%0.418CS..PPolyproline II helixtrans-69.9160.4176.428.5-34.1000112.7N664 A683 F686 F687P662-N664 PolarHBondContact O-N 2.74Å; P662-N664 VanDerWaalsContact O-N 3.11Å; P662-N664 PolarHBondContact O-ND2 2.97Å; P662-A683 HydrophobicContact CG-CB 3.58Å; P662-F686 HydrophobicContact CB-CD1 3.44Å; P662-F686 VanDerWaalsContact CB-CD1 3.44Å; P662-F686 HydrophobicContact CB-CE1 3.83Å; P662-F686 HydrophobicContact CB-CG 4.09Å; P662-F687 HydrophobicContact CB-CE2 4.46Å; P662-F687 HydrophobicContact CB-CZ 4.3Å; P662-F687 HydrophobicContact CG-CE2 4.13Å; P662-F687 HydrophobicContact CG-CZ 4.34Å
663P82.3Confident71.1Confident9 Ų979.1 Ų79.16%0.05844%0.443CS..PPolyproline II helixtrans-55.5117.6176.6-25.535.7000111.6D665 Y666 F686 A729P663-D665 VanDerWaalsContact C-N 3.26Å; P663-D665 PolarHBondContact O-N 3.46Å; P663-Y666 VanDerWaalsContact O-CB 3.27Å; P663-Y666 WeakPolarHBondContact O-CB 3.31Å; P663-Y666 PolarHBondContact O-N 3.23Å; P663-F686 HydrophobicContact CG-CE2 4.47Å; P663-A729 HydrophobicContact CG-CB 4.26Å
664N71.9Confident69.2Low77 Ų7783.2 Ų83.241%0.41247%0.468SS..THydrogen-bonded Turntrans-74-24.1-171.6-75.8-133.7000112P662 Y666 N682 T1091P662-N664 PolarHBondContact O-N 2.74Å; P662-N664 VanDerWaalsContact O-N 3.11Å; P662-N664 PolarHBondContact O-ND2 2.97Å; N664-Y666 VanDerWaalsContact C-N 3.28Å; N664-N682 PolarHBondContact O-ND2 3.04Å; N664-N682 VanDerWaalsContact O-ND2 3.11Å; N664-T1091 HydrophobicContact CB-CG2 3.47Å; N664-T1091 VanDerWaalsContact CB-CG2 3.47Å; N664-T1091 WeakPolarHBondContact OD1-CG2 3.4Å
665D74.3Confident67.8Low105 Ų10582.5 Ų82.556%0.56148%0.48SS*.THydrogen-bonded Turntrans-82.12.7174.755.7-42.7000113.6P663 I667P663-D665 VanDerWaalsContact C-N 3.26Å; P663-D665 PolarHBondContact O-N 3.46Å; D665-I667 PolarHBondContact O-N 2.98Å
666Y78.3Confident66.4Low9 Ų984.1 Ų84.14%0.03548%0.477CS..  trans-63.7117.8172.6-171.7-100.8000111.4P663 N664 T668 N682 F686 D689 A729P663-Y666 VanDerWaalsContact O-CB 3.27Å; P663-Y666 WeakPolarHBondContact O-CB 3.31Å; P663-Y666 PolarHBondContact O-N 3.23Å; N664-Y666 VanDerWaalsContact C-N 3.28Å; Y666-T668 HydrophobicContact CD1-CG2 4.47Å; Y666-T668 HydrophobicContact CE1-CG2 4Å; Y666-N682 PolarHBondContact O-ND2 3.34Å; Y666-F686 HydrophobicContact CD1-CB 3.69Å; Y666-F686 HydrophobicContact CD1-CD2 4.37Å; Y666-F686 AromaticContact CD2-CD2 3.89Å; Y666-F686 HydrophobicContact CD2-CD2 3.89Å; Y666-F686 HydrophobicContact CE1-CB 4.06Å; Y666-F686 HydrophobicContact CE2-CD2 4.14Å; Y666-F686 HydrophobicContact CG-CB 4.05Å; Y666-F686 HydrophobicContact CG-CD2 4.02Å; Y666-D689 VanDerWaalsContact CE1-OD2 3.31Å; Y666-D689 WeakPolarHBondContact CE1-OD2 3.32Å; Y666-D689 WeakPolarHBondContact OH-CB 3.32Å; Y666-D689 PolarHBondContact OH-OD2 3.09Å; Y666-A729 HydrophobicContact CD2-CB 3.71Å; Y666-A729 HydrophobicContact CE2-CB 4.12Å
667I68.6Low65Low136 Ų13684.4 Ų84.470%0.69748%0.479SS*.  trans-109.7129.5175.9-62170.6000108.1D665D665-I667 PolarHBondContact O-N 2.98Å
668T64.8Low63.7Low32 Ų3282 Ų8220%0.19646%0.461CS..  trans-82.4146.1175.656.20000111.9Y666 T670 S685Y666-T668 HydrophobicContact CD1-CG2 4.47Å; Y666-T668 HydrophobicContact CE1-CG2 4Å; T668-T670 WeakPolarHBondContact CB-OG1 3.41Å; T668-T670 PolarHBondContact O-N 3.35Å; T668-T670 VanDerWaalsContact O-N 3.16Å; T668-T670 PolarHBondContact OG1-O 2.92Å; T668-T670 VanDerWaalsContact OG1-O 3.07Å; T668-T670 PolarHBondContact OG1-OG1 2.76Å; T668-S685 WeakPolarHBondContact CG2-OG 3.45Å
669D57.6Low62.4Low114 Ų11484.6 Ų84.661%0.6147%0.466SS*.SBendtrans-60.2-20.1166.9-72.4-20.6000112.5R723 H725D669-R723 IonicContact OD2-NH1 3.05Å; D669-R723 PolarHBondContact OD2-NH1 3.36Å; D669-H725 IonicContact OD1-CE1 3.66Å; D669-H725 IonicContact OD2-CE1 2.74Å
670T51.8Low61.1Low89 Ų8988.3 Ų88.355%0.54649%0.486SS..SBendtrans-79.8119.9177.447.10000113.9T668 L672T668-T670 WeakPolarHBondContact CB-OG1 3.41Å; T668-T670 PolarHBondContact O-N 3.35Å; T668-T670 VanDerWaalsContact O-N 3.16Å; T668-T670 PolarHBondContact OG1-O 2.92Å; T668-T670 VanDerWaalsContact OG1-O 3.07Å; T668-T670 PolarHBondContact OG1-OG1 2.76Å; T670-L672 PolarHBondContact O-N 2.81Å
671S41.1Very low59.7Low120 Ų12090 Ų9084%0.83949%0.494SS*.  trans-75.973.4173.3440000113.1
672L44Very low58.9Low121 Ų12185.7 Ų85.763%0.63447%0.471SS*.  trans-78.3140.1176.6-133.376.6000113.1T670 L681T670-L672 PolarHBondContact O-N 2.81Å; L672-L681 HydrophobicContact CD2-CD2 4.17Å
673D41.7Very low58.4Low103 Ų10386 Ų8655%0.55148%0.475SS*.  trans-63.7128.5-171.4-131.2-35.5000112.7R396 T675R396-D673 IonicContact CZ-OD2 3.4Å; R396-D673 IonicContact NH1-OD2 3.14Å; R396-D673 PolarHBondContact NH1-OD2 3.37Å; R396-D673 IonicContact NH2-OD2 3.44Å; D673-T675 PolarHBondContact O-N 2.93Å
674V39.9Very low58.1Low105 Ų10590.9 Ų90.964%0.63650%0.497SS*.SBendtrans-86.976.6-161.2-170.40000112.6
675T49.9Very low58.5Low128 Ų12888.2 Ų88.279%0.78549%0.485SS*.  trans-135.9-2176.752.70000115.6D673D673-T675 PolarHBondContact O-N 2.93Å
676V49.3Very low59Low95 Ų9583.2 Ų83.258%0.57646%0.458SS*.SBendtrans-116.4155.5-174.3-171.60000111.4R678 L681V676-R678 PolarHBondContact O-N 3.4Å; V676-R678 VanDerWaalsContact O-N 3.11Å; V676-L681 HydrophobicContact CG1-CD1 4.33Å
677D52.4Low59.4Low71 Ų7184.8 Ų84.838%0.3847%0.465SS..  trans-61.4108-171.5-140.8-15.6000112.3D679 R1088D677-D679 PolarHBondContact O-N 3.24Å; D677-R1088 IonicContact OD1-CZ 3.67Å; D677-R1088 IonicContact OD1-NE 3.55Å; D677-R1088 PolarHBondContact OD1-NE 3.22Å; D677-R1088 IonicContact OD1-NH1 2.67Å; D677-R1088 IonicContact OD1-NH2 3.93Å; D677-R1088 PolarHBondContact OD1-NH2 3.38Å; D677-R1088 IonicContact OD2-CZ 3.21Å; D677-R1088 IonicContact OD2-NE 3.42Å; D677-R1088 PolarHBondContact OD2-NE 3.44Å; D677-R1088 IonicContact OD2-NH2 2.61Å; D677-R1088 PolarHBondContact OD2-NH2 2.94Å
678R52Low60.2Low148 Ų14882 Ų8256%0.55845%0.452SS*.Hα-helixtrans-61.2-40.4-163.8-95-168.5163.6-136.4-7.6114.5V676 N680 L681 N682V676-R678 PolarHBondContact O-N 3.4Å; V676-R678 VanDerWaalsContact O-N 3.11Å; R678-N680 VanDerWaalsContact C-N 3.29Å; R678-N680 PolarHBondContact O-N 2.78Å; R678-L681 PolarHBondContact O-N 3.41Å; R678-N682 PolarHBondContact O-N 3Å; R678-N682 PolarHBondContact O-OD1 2.78Å
679D52.8Low61.1Low90 Ų9082.7 Ų82.748%0.48145%0.454SS..Hα-helixtrans-59-40.5-171.8-56.2-9.7000111.6D677D677-D679 PolarHBondContact O-N 3.24Å
680N55.8Low62.5Low126 Ų12677.3 Ų77.367%0.67443%0.425SS*.Hα-helixtrans-76.4-30.3176.3-73.7-15.8000113R678 Q684R678-N680 VanDerWaalsContact C-N 3.29Å; R678-N680 PolarHBondContact O-N 2.78Å; N680-Q684 PolarHBondContact O-N 3.06Å
681L58.6Low64.1Low68 Ų6876.7 Ų76.736%0.35642%0.415SS..Hα-helixtrans-71-43.7-176.3-144.573.5000111.2L672 V676 R678 A683 Q684 S685L672-L681 HydrophobicContact CD2-CD2 4.17Å; V676-L681 HydrophobicContact CG1-CD1 4.33Å; R678-L681 PolarHBondContact O-N 3.41Å; L681-A683 VanDerWaalsContact C-N 3.31Å; L681-A683 PolarHBondContact O-N 3.17Å; L681-Q684 PolarHBondContact O-N 3.48Å; L681-S685 PolarHBondContact O-N 3.5Å; L681-S685 VanDerWaalsContact O-N 3.1Å; L681-S685 PolarHBondContact O-OG 2.89Å
682N67.3Low66.1Low34 Ų3473.7 Ų73.718%0.18240%0.397CS..Hα-helixtrans-61.8-37.6175.8-71.615.4000112.2N664 Y666 R678 S685 F686N664-N682 PolarHBondContact O-ND2 3.04Å; N664-N682 VanDerWaalsContact O-ND2 3.11Å; Y666-N682 PolarHBondContact O-ND2 3.34Å; R678-N682 PolarHBondContact O-N 3Å; R678-N682 PolarHBondContact O-OD1 2.78Å; N682-S685 PolarHBondContact O-OG 3.04Å; N682-S685 VanDerWaalsContact O-OG 3.08Å; N682-F686 WeakPolarHBondContact O-CB 3.38Å; N682-F686 PolarHBondContact O-N 3.13Å
683A71.6Confident68.1Low25 Ų2569 Ų6921%0.20738%0.375CS..Hα-helixtrans-65.6-48.5178.300000111.9P662 L681 S685 F686 F687P662-A683 HydrophobicContact CG-CB 3.58Å; L681-A683 VanDerWaalsContact C-N 3.31Å; L681-A683 PolarHBondContact O-N 3.17Å; A683-S685 PolarHBondContact O-N 3.41Å; A683-F686 PolarHBondContact O-N 3.01Å; A683-F687 WeakPolarHBondContact O-CD2 3.19Å; A683-F687 PolarHBondContact O-N 3.09Å
684Q76.1Confident70.1Confident112 Ų11264.1 Ų64.152%0.52335%0.349SS..Hα-helixtrans-66.6-37.3-179.3-175.559.868.500112.3N680 L681 N688N680-Q684 PolarHBondContact O-N 3.06Å; L681-Q684 PolarHBondContact O-N 3.48Å; Q684-N688 PolarHBondContact NE2-OD1 2.99Å; Q684-N688 PolarHBondContact O-N 3.03Å; Q684-N688 PolarHBondContact O-ND2 3.46Å; Q684-N688 PolarHBondContact O-OD1 2.99Å
685S80Confident72Confident21 Ų2160.3 Ų60.315%0.14732%0.324CS..Hα-helixtrans-70.4-42.2177.560.70000112.5T668 L681 N682 A683 F687 N688 D689T668-S685 WeakPolarHBondContact CG2-OG 3.45Å; L681-S685 PolarHBondContact O-N 3.5Å; L681-S685 VanDerWaalsContact O-N 3.1Å; L681-S685 PolarHBondContact O-OG 2.89Å; N682-S685 PolarHBondContact O-OG 3.04Å; N682-S685 VanDerWaalsContact O-OG 3.08Å; A683-S685 PolarHBondContact O-N 3.41Å; S685-F687 VanDerWaalsContact C-N 3.31Å; S685-F687 PolarHBondContact O-N 3.12Å; S685-N688 PolarHBondContact O-N 2.8Å; S685-D689 WeakPolarHBondContact O-CB 3.44Å; S685-D689 VanDerWaalsContact O-CG 3.27Å; S685-D689 PolarHBondContact O-N 2.83Å
686F86Confident73.3Confident0 Ų054.7 Ų54.70%029%0.292CS..Hα-helixtrans-51.1-49.7171.4168.9-102.4000111.7P662 P663 Y666 N682 A683 N688 D689 V690 A729 Y733P662-F686 HydrophobicContact CB-CD1 3.44Å; P662-F686 VanDerWaalsContact CB-CD1 3.44Å; P662-F686 HydrophobicContact CB-CE1 3.83Å; P662-F686 HydrophobicContact CB-CG 4.09Å; P663-F686 HydrophobicContact CG-CE2 4.47Å; Y666-F686 HydrophobicContact CD1-CB 3.69Å; Y666-F686 HydrophobicContact CD1-CD2 4.37Å; Y666-F686 AromaticContact CD2-CD2 3.89Å; Y666-F686 HydrophobicContact CD2-CD2 3.89Å; Y666-F686 HydrophobicContact CE1-CB 4.06Å; Y666-F686 HydrophobicContact CE2-CD2 4.14Å; Y666-F686 HydrophobicContact CG-CB 4.05Å; Y666-F686 HydrophobicContact CG-CD2 4.02Å; N682-F686 WeakPolarHBondContact O-CB 3.38Å; N682-F686 PolarHBondContact O-N 3.13Å; A683-F686 PolarHBondContact O-N 3.01Å; F686-N688 PolarHBondContact O-N 3.32Å; F686-D689 PolarHBondContact O-N 2.87Å; F686-V690 HydrophobicContact CD2-CG2 3.95Å; F686-V690 HydrophobicContact CE1-CG2 4.4Å; F686-V690 HydrophobicContact CE2-CG2 3.61Å; F686-V690 HydrophobicContact CG-CG2 4.48Å; F686-V690 HydrophobicContact CZ-CG2 3.87Å; F686-V690 VanDerWaalsContact O-CB 3.25Å; F686-V690 WeakPolarHBondContact O-CB 3.48Å; F686-V690 WeakPolarHBondContact O-CG2 3.24Å; F686-V690 PolarHBondContact O-N 2.79Å; F686-A729 HydrophobicContact CD2-CB 4.19Å; F686-A729 HydrophobicContact CE2-CB 3.75Å; F686-Y733 HydrophobicContact CE1-CD1 4.24Å; F686-Y733 HydrophobicContact CE1-CD2 4.45Å; F686-Y733 HydrophobicContact CE1-CG 4.11Å; F686-Y733 HydrophobicContact CZ-CD1 4.33Å; F686-Y733 HydrophobicContact CZ-CG 4.05Å
687F86.8Confident74.8Confident43 Ų4350.3 Ų50.319%0.18927%0.265CS..Hα-helixtrans-65.4-36.9178.3-69.1-57.1000112.9A651 C652 P662 A683 S685 K691 Y733A651-F687 HydrophobicContact CB-CE1 4.16Å; C652-F687 HydrophobicContact CB-CD1 4.48Å; P662-F687 HydrophobicContact CB-CE2 4.46Å; P662-F687 HydrophobicContact CB-CZ 4.3Å; P662-F687 HydrophobicContact CG-CE2 4.13Å; P662-F687 HydrophobicContact CG-CZ 4.34Å; A683-F687 WeakPolarHBondContact O-CD2 3.19Å; A683-F687 PolarHBondContact O-N 3.09Å; S685-F687 VanDerWaalsContact C-N 3.31Å; S685-F687 PolarHBondContact O-N 3.12Å; F687-K691 WeakPolarHBondContact O-CB 3.37Å; F687-K691 PolarHBondContact O-N 3.37Å; F687-Y733 HydrophobicContact CE1-CE1 4.28Å
688N84.5Confident75.8Confident78 Ų7847.7 Ų47.742%0.41726%0.255SS..Hα-helixtrans-65.3-48.2176.1-69.5-11.8000112.3Q684 S685 F686 K691 A692Q684-N688 PolarHBondContact NE2-OD1 2.99Å; Q684-N688 PolarHBondContact O-N 3.03Å; Q684-N688 PolarHBondContact O-ND2 3.46Å; Q684-N688 PolarHBondContact O-OD1 2.99Å; S685-N688 PolarHBondContact O-N 2.8Å; F686-N688 PolarHBondContact O-N 3.32Å; N688-K691 PolarHBondContact O-N 2.89Å; N688-A692 WeakPolarHBondContact O-CB 3.29Å; N688-A692 PolarHBondContact O-N 3.4Å
689D84.8Confident76.9Confident46 Ų4641.3 Ų41.325%0.24623%0.231CC..Hα-helixtrans-68.3-41.2-177-65.1-15000111.6Y666 S685 F686 S693 I726Y666-D689 VanDerWaalsContact CE1-OD2 3.31Å; Y666-D689 WeakPolarHBondContact CE1-OD2 3.32Å; Y666-D689 WeakPolarHBondContact OH-CB 3.32Å; Y666-D689 PolarHBondContact OH-OD2 3.09Å; S685-D689 WeakPolarHBondContact O-CB 3.44Å; S685-D689 VanDerWaalsContact O-CG 3.27Å; S685-D689 PolarHBondContact O-N 2.83Å; F686-D689 PolarHBondContact O-N 2.87Å; D689-S693 VanDerWaalsContact O-CB 3.31Å; D689-S693 WeakPolarHBondContact O-CB 3.13Å; D689-S693 PolarHBondContact O-N 3.26Å; D689-S693 PolarHBondContact O-OG 2.95Å; D689-I726 HydrophobicContact CB-CD1 4.31Å
690V86.6Confident77.3Confident0 Ų037.7 Ų37.70%021%0.213CC..Hα-helixtrans-60.7-45.6170.9166.70000110.5C652 F686 S693 L694 I726 L730C652-V690 HydrophobicContact CB-CG1 3.75Å; F686-V690 HydrophobicContact CD2-CG2 3.95Å; F686-V690 HydrophobicContact CE1-CG2 4.4Å; F686-V690 HydrophobicContact CE2-CG2 3.61Å; F686-V690 HydrophobicContact CG-CG2 4.48Å; F686-V690 HydrophobicContact CZ-CG2 3.87Å; F686-V690 VanDerWaalsContact O-CB 3.25Å; F686-V690 WeakPolarHBondContact O-CB 3.48Å; F686-V690 WeakPolarHBondContact O-CG2 3.24Å; F686-V690 PolarHBondContact O-N 2.79Å; V690-S693 PolarHBondContact O-N 2.9Å; V690-L694 HydrophobicContact CG1-CD1 3.67Å; V690-L694 HydrophobicContact CG1-CG 4.12Å; V690-L694 WeakPolarHBondContact O-CB 3.28Å; V690-L694 VanDerWaalsContact O-CG 3.24Å; V690-L694 WeakPolarHBondContact O-CG 3.37Å; V690-L694 PolarHBondContact O-N 3.09Å; V690-I726 HydrophobicContact CB-CG2 4.47Å; V690-I726 HydrophobicContact CG2-CG2 3.72Å; V690-L730 HydrophobicContact CG1-CD1 3.82Å; V690-L730 HydrophobicContact CG1-CD2 4.12Å; V690-L730 HydrophobicContact CG1-CG 4.48Å; V690-L730 HydrophobicContact CG2-CB 4.28Å; V690-L730 HydrophobicContact CG2-CD1 4.41Å
691K85.9Confident77.2Confident76 Ų7633.7 Ų33.733%0.3319%0.193SC..Hα-helixtrans-63.8-43.6-179.8-176.4168.5-179.9160.10112.2I653 F687 N688 S693 L694 Q695I653-K691 WeakPolarHBondContact O-CE 3.41Å; I653-K691 PolarHBondContact O-NZ 2.96Å; F687-K691 WeakPolarHBondContact O-CB 3.37Å; F687-K691 PolarHBondContact O-N 3.37Å; N688-K691 PolarHBondContact O-N 2.89Å; K691-S693 VanDerWaalsContact C-N 3.34Å; K691-L694 PolarHBondContact O-N 2.82Å; K691-Q695 WeakPolarHBondContact O-CG 3.23Å; K691-Q695 PolarHBondContact O-N 3.23Å
692A82Confident76.6Confident57 Ų5732.1 Ų32.147%0.47119%0.194SC..Hα-helixtrans-61.8-41.8173.400000111.7N688 Q695 G696N688-A692 WeakPolarHBondContact O-CB 3.29Å; N688-A692 PolarHBondContact O-N 3.4Å; A692-Q695 WeakPolarHBondContact O-CB 3.32Å; A692-Q695 PolarHBondContact O-N 2.74Å; A692-G696 PolarHBondContact O-N 2.75Å
693S85.4Confident75.4Confident23 Ų2340.6 Ų40.616%0.16122%0.223CC..Hα-helixtrans-65.2-44.7176.4-59.70000112.5D689 V690 K691 Q695 G696 V697 I726D689-S693 VanDerWaalsContact O-CB 3.31Å; D689-S693 WeakPolarHBondContact O-CB 3.13Å; D689-S693 PolarHBondContact O-N 3.26Å; D689-S693 PolarHBondContact O-OG 2.95Å; V690-S693 PolarHBondContact O-N 2.9Å; K691-S693 VanDerWaalsContact C-N 3.34Å; S693-Q695 VanDerWaalsContact C-N 3.26Å; S693-Q695 PolarHBondContact O-N 2.9Å; S693-G696 PolarHBondContact O-N 2.74Å; S693-G696 VanDerWaalsContact O-N 3.13Å; S693-V697 PolarHBondContact O-N 3.49Å; S693-I726 VanDerWaalsContact OG-CD1 3.26Å; S693-I726 WeakPolarHBondContact OG-CD1 3.36Å
694L84.6Confident73.9Confident0 Ų041.1 Ų41.10%023%0.225CC..Hα-helixtrans-64.6-28.5175.7-70.7174.8000112.5L649 C652 I653 V690 K691 L699 S700 I722 L730L649-L694 HydrophobicContact CD2-CD1 4.14Å; C652-L694 HydrophobicContact CB-CD1 4.19Å; I653-L694 HydrophobicContact CG1-CD1 4.24Å; V690-L694 HydrophobicContact CG1-CD1 3.67Å; V690-L694 HydrophobicContact CG1-CG 4.12Å; V690-L694 WeakPolarHBondContact O-CB 3.28Å; V690-L694 VanDerWaalsContact O-CG 3.24Å; V690-L694 WeakPolarHBondContact O-CG 3.37Å; V690-L694 PolarHBondContact O-N 3.09Å; K691-L694 PolarHBondContact O-N 2.82Å; L694-L699 HydrophobicContact CB-CB 4.45Å; L694-L699 HydrophobicContact CD2-CB 4.22Å; L694-L699 HydrophobicContact CD2-CD1 3.55Å; L694-L699 WeakPolarHBondContact O-CA 3.24Å; L694-L699 WeakPolarHBondContact O-CB 3.25Å; L694-L699 PolarHBondContact O-N 3.13Å; L694-S700 PolarHBondContact O-N 2.92Å; L694-S700 VanDerWaalsContact O-N 3.12Å; L694-I722 HydrophobicContact CD2-CD1 4.38Å; L694-L730 HydrophobicContact CD2-CD2 4.29Å
695Q79.9Confident72.2Confident26 Ų2644 Ų4412%0.12123%0.232CC..Hα-helixtrans-72.5-44.8168.5-72.9175.3-6.100111.7F377 K691 A692 S693 V697 G698F377-Q695 HydrophobicContact CD2-CB 4.35Å; F377-Q695 HydrophobicContact CE2-CB 4.11Å; K691-Q695 WeakPolarHBondContact O-CG 3.23Å; K691-Q695 PolarHBondContact O-N 3.23Å; A692-Q695 WeakPolarHBondContact O-CB 3.32Å; A692-Q695 PolarHBondContact O-N 2.74Å; S693-Q695 VanDerWaalsContact C-N 3.26Å; S693-Q695 PolarHBondContact O-N 2.9Å; Q695-V697 PolarHBondContact O-N 2.76Å; Q695-G698 PolarHBondContact O-N 3.2Å
696G76.7Confident70.6Confident10 Ų1050.6 Ų50.610%0.10326%0.26CS..Hα-helixtrans-58.2-31.6178.100000114.2Y91 A692 S693Y91-G696 WeakPolarHBondContact CD1-O 3.33Å; A692-G696 PolarHBondContact O-N 2.75Å; S693-G696 PolarHBondContact O-N 2.74Å; S693-G696 VanDerWaalsContact O-N 3.13Å
697V81.4Confident68.8Low3 Ų359.4 Ų59.42%0.01830%0.298CS..THydrogen-bonded Turntrans-94.49173.6-550000114.3W116 S693 Q695 L699 R718 G721 I722W116-V697 WeakPolarHBondContact CH2-O 3.18Å; S693-V697 PolarHBondContact O-N 3.49Å; Q695-V697 PolarHBondContact O-N 2.76Å; V697-L699 VanDerWaalsContact C-N 3.33Å; V697-L699 HydrophobicContact CG2-CB 4.35Å; V697-L699 HydrophobicContact CG2-CD1 4.06Å; V697-L699 HydrophobicContact CG2-CG 4.07Å; V697-L699 PolarHBondContact O-N 2.89Å; V697-R718 HydrophobicContact CB-CB 4.4Å; V697-R718 HydrophobicContact CG2-CB 4.03Å; V697-R718 WeakPolarHBondContact O-CD 3.46Å; V697-R718 PolarHBondContact O-NE 3.23Å; V697-G721 WeakPolarHBondContact CG1-O 3.48Å; V697-I722 HydrophobicContact CG1-CG1 3.86Å; V697-I722 HydrophobicContact CG2-CD1 4.37Å
698G73.6Confident67.1Low16 Ų1659.7 Ų59.717%0.16530%0.302CS..THydrogen-bonded Turntrans65.129.5176.600000115.1Q695Q695-G698 PolarHBondContact O-N 3.2Å
699L74.5Confident65.6Low13 Ų1356.6 Ų56.67%0.06829%0.286CS..SBendtrans-88.3-24.2168.5-78.8176.2000112.8L694 V697 K714 F715 R718L694-L699 HydrophobicContact CB-CB 4.45Å; L694-L699 HydrophobicContact CD2-CB 4.22Å; L694-L699 HydrophobicContact CD2-CD1 3.55Å; L694-L699 WeakPolarHBondContact O-CA 3.24Å; L694-L699 WeakPolarHBondContact O-CB 3.25Å; L694-L699 PolarHBondContact O-N 3.13Å; V697-L699 VanDerWaalsContact C-N 3.33Å; V697-L699 HydrophobicContact CG2-CB 4.35Å; V697-L699 HydrophobicContact CG2-CD1 4.06Å; V697-L699 HydrophobicContact CG2-CG 4.07Å; V697-L699 PolarHBondContact O-N 2.89Å; L699-K714 HydrophobicContact CD2-CG 4.18Å; L699-F715 HydrophobicContact CD1-CD2 4.08Å; L699-R718 HydrophobicContact CD1-CB 3.63Å; L699-R718 HydrophobicContact CD1-CG 4.24Å; L699-R718 HydrophobicContact CD2-CB 4.32Å; L699-R718 HydrophobicContact CD2-CG 4.04Å; L699-R718 HydrophobicContact CG-CB 3.9Å; L699-R718 HydrophobicContact CG-CG 3.97Å
700S61.6Low64.3Low15 Ų1556.1 Ų56.111%0.10528%0.283CS..SBendtrans-119.540.2-171.9-176.80000113.8L694 G702L694-S700 PolarHBondContact O-N 2.92Å; L694-S700 VanDerWaalsContact O-N 3.12Å; S700-G702 PolarHBondContact O-N 2.96Å
701T54Low63.6Low41 Ų4159.3 Ų59.325%0.25230%0.299SS..  trans-85.7104.3176.440.90000112.3R703T701-R703 VanDerWaalsContact C-N 3.33Å; T701-R703 PolarHBondContact O-N 2.93Å
702G45.6Very low63.1Low36 Ų3655.9 Ų55.937%0.37128%0.284SS..SBendtrans58.6-65.9159.600000119.1S700S700-G702 PolarHBondContact O-N 2.96Å
703R41.2Very low62.6Low211 Ų21156.3 Ų56.380%0.79628%0.283SS*.  trans-140.754.6-175.5-54.7-173.3-157.4167.88.9111.8T701 R705T701-R703 VanDerWaalsContact C-N 3.33Å; T701-R703 PolarHBondContact O-N 2.93Å; R703-R705 PolarHBondContact O-N 3.35Å
704C40.8Very low62.3Low37 Ų3757.8 Ų57.825%0.2529%0.287CS..  trans-59.1114.8172.3-165.20000109.1
705R39.8Very low62.1Low173 Ų17357.9 Ų57.965%0.65329%0.287SS*.  trans-63.1137.7180-60.617888.21472.3108.3R703 K707 D708R703-R705 PolarHBondContact O-N 3.35Å; R705-K707 PolarHBondContact O-N 2.96Å; R705-D708 PolarHBondContact O-N 3.12Å
706E46.2Very low62Low158 Ų15857.5 Ų57.574%0.73829%0.286SS*.Hα-helixtrans-53.6-24.4-175.8-58.8173.2143.100113.8S709E706-S709 PolarHBondContact O-OG 3.37Å; E706-S709 VanDerWaalsContact O-OG 3.07Å
707K49.1Very low62.1Low185 Ų18558.4 Ų58.480%0.80429%0.288SS*.Hα-helixtrans-74.9-22.5176.3-63.5-175177.5-178.50114.1R705R705-K707 PolarHBondContact O-N 2.96Å
708D51Low62.2Low49 Ų4959.8 Ų59.826%0.26229%0.293SS..Hα-helixtrans-103.6-14.1-172.5-64.6-30.6000114R705 Q711 K714R705-D708 PolarHBondContact O-N 3.12Å; D708-Q711 PolarHBondContact OD1-NE2 2.93Å; D708-K714 WeakPolarHBondContact O-CD 3.17Å; D708-K714 PolarHBondContact O-NZ 2.93Å
709S53.5Low62.9Low13 Ų1359 Ų599%0.09129%0.286CS..Hα-helixtrans-74.2-36169.647.30000112.1L649 E706 Q711L649-S709 WeakPolarHBondContact CD1-O 3.42Å; E706-S709 PolarHBondContact O-OG 3.37Å; E706-S709 VanDerWaalsContact O-OG 3.07Å; S709-Q711 PolarHBondContact O-N 3.29Å
710N57.6Low63.4Low36 Ų3658.7 Ų58.719%0.19328%0.284CS..SBendtrans-82.45-170.3-66.813.4000113.4E646 M712E646-N710 PolarHBondContact OE2-ND2 3.25Å; N710-M712 PolarHBondContact O-N 3.27Å; N710-M712 VanDerWaalsContact O-N 3.16Å
711Q71.7Confident64.5Low68 Ų6858.1 Ų58.132%0.31828%0.28SS..  trans-75.698.7174.3-65.5-176.713.800110.3D708 S709 S713 K714 F715D708-Q711 PolarHBondContact OD1-NE2 2.93Å; S709-Q711 PolarHBondContact O-N 3.29Å; Q711-S713 VanDerWaalsContact C-N 3.34Å; Q711-S713 PolarHBondContact O-N 3.08Å; Q711-K714 HydrophobicContact CB-CB 3.84Å; Q711-K714 HydrophobicContact CB-CD 4.47Å; Q711-K714 WeakPolarHBondContact O-CB 3.1Å; Q711-K714 PolarHBondContact O-N 3.48Å; Q711-K714 VanDerWaalsContact O-N 3.12Å; Q711-F715 PolarHBondContact O-N 3.1Å
712M75.1Confident66.2Low3 Ų356.2 Ų56.22%0.01527%0.269CS..Hα-helixtrans-50-52.2179.6-176.15658.500111.6L636 D637 G641 R642 L645 N710 K714 F715 L716 F734L636-M712 HydrophobicContact CB-SD 4.31Å; L636-M712 WeakPolarHBondContact O-CE 3.43Å; D637-M712 HydrophobicContact CB-CB 4.38Å; D637-M712 HydrophobicContact CB-CG 4.1Å; G641-M712 WeakPolarHBondContact O-CE 3.44Å; R642-M712 HydrophobicContact CG-CB 4.48Å; L645-M712 HydrophobicContact CB-CE 3.83Å; L645-M712 HydrophobicContact CD2-CE 3.83Å; L645-M712 HydrophobicContact CD2-SD 4.35Å; L645-M712 HydrophobicContact CG-CE 4.4Å; N710-M712 PolarHBondContact O-N 3.27Å; N710-M712 VanDerWaalsContact O-N 3.16Å; M712-K714 VanDerWaalsContact C-N 3.32Å; M712-K714 PolarHBondContact O-N 2.83Å; M712-F715 WeakPolarHBondContact O-CB 3Å; M712-F715 PolarHBondContact O-N 3.02Å; M712-F715 HydrophobicContact SD-CD1 4.26Å; M712-L716 HydrophobicContact CG-CD1 4.15Å; M712-L716 HydrophobicContact CG-CD2 4.34Å; M712-L716 HydrophobicContact CG-CG 4.11Å; M712-L716 VanDerWaalsContact O-CG 3.32Å; M712-L716 WeakPolarHBondContact O-CG 3.45Å; M712-L716 PolarHBondContact O-N 2.74Å; M712-L716 HydrophobicContact SD-CD2 3.72Å; M712-L716 HydrophobicContact SD-CG 4.1Å; M712-F734 HydrophobicContact CE-CE2 3.88Å; M712-F734 HydrophobicContact CE-CZ 3.71Å; M712-F734 HydrophobicContact SD-CZ 4.11Å
713S71.6Confident68.3Low67 Ų6758 Ų5847%0.46926%0.264SS..Hα-helixtrans-51.8-44.1178.352.80000114Q711 L716 N717Q711-S713 VanDerWaalsContact C-N 3.34Å; Q711-S713 PolarHBondContact O-N 3.08Å; S713-L716 PolarHBondContact O-N 3.39Å; S713-N717 WeakPolarHBondContact O-CB 3.34Å; S713-N717 VanDerWaalsContact O-CG 3.28Å; S713-N717 PolarHBondContact O-N 3.3Å; S713-N717 PolarHBondContact O-ND2 3.46Å
714K78.1Confident70.6Confident53 Ų5348.2 Ų48.223%0.2323%0.228CC..Hα-helixtrans-62.4-45.2177.1-173.8-178.7171.6-170.70110.9L699 D708 Q711 M712 R718L699-K714 HydrophobicContact CD2-CG 4.18Å; D708-K714 WeakPolarHBondContact O-CD 3.17Å; D708-K714 PolarHBondContact O-NZ 2.93Å; Q711-K714 HydrophobicContact CB-CB 3.84Å; Q711-K714 HydrophobicContact CB-CD 4.47Å; Q711-K714 WeakPolarHBondContact O-CB 3.1Å; Q711-K714 PolarHBondContact O-N 3.48Å; Q711-K714 VanDerWaalsContact O-N 3.12Å; M712-K714 VanDerWaalsContact C-N 3.32Å; M712-K714 PolarHBondContact O-N 2.83Å; K714-R718 VanDerWaalsContact O-CB 3.29Å; K714-R718 WeakPolarHBondContact O-CB 3.4Å; K714-R718 WeakPolarHBondContact O-CG 3.21Å; K714-R718 PolarHBondContact O-N 3.23Å; K714-R718 VanDerWaalsContact O-N 3.12Å
715F81.9Confident72.8Confident2 Ų249.3 Ų49.31%0.00923%0.229CC..Hα-helixtrans-63.5-47.1174.7172.1-121000112.6L645 L699 Q711 M712 N717 R718 I719 L730 F734L645-F715 HydrophobicContact CD1-CB 4.14Å; L645-F715 HydrophobicContact CD1-CD1 3.29Å; L645-F715 HydrophobicContact CD1-CD2 4Å; L645-F715 HydrophobicContact CD1-CE1 3.43Å; L645-F715 VanDerWaalsContact CD1-CE1 3.43Å; L645-F715 HydrophobicContact CD1-CE2 4.14Å; L645-F715 HydrophobicContact CD1-CG 3.57Å; L645-F715 HydrophobicContact CD1-CZ 3.87Å; L645-F715 HydrophobicContact CD2-CB 3.89Å; L645-F715 HydrophobicContact CD2-CD1 4.03Å; L645-F715 HydrophobicContact CD2-CG 4.19Å; L645-F715 HydrophobicContact CG-CD1 4.3Å; L699-F715 HydrophobicContact CD1-CD2 4.08Å; Q711-F715 PolarHBondContact O-N 3.1Å; M712-F715 WeakPolarHBondContact O-CB 3Å; M712-F715 PolarHBondContact O-N 3.02Å; M712-F715 HydrophobicContact SD-CD1 4.26Å; F715-N717 VanDerWaalsContact C-N 3.33Å; F715-N717 PolarHBondContact O-N 2.74Å; F715-R718 PolarHBondContact O-N 2.93Å; F715-I719 HydrophobicContact CZ-CD1 4.35Å; F715-I719 PolarHBondContact O-N 3.42Å; F715-L730 HydrophobicContact CE2-CD2 4.24Å; F715-L730 HydrophobicContact CZ-CG 4.48Å; F715-F734 HydrophobicContact CE1-CD2 4.11Å; F715-F734 HydrophobicContact CE1-CE2 4.43Å; F715-F734 HydrophobicContact CE1-CG 4.23Å
716L77.8Confident75.1Confident18 Ų1841.6 Ų41.69%0.09420%0.201CC..Hα-helixtrans-58.7-42.6177.3-56.5-175.6000111.9R603 F604 L636 M712 S713 R718 I719R603-L716 HydrophobicContact CB-CD2 4.05Å; R603-L716 HydrophobicContact CG-CD2 3.85Å; F604-L716 HydrophobicContact CE1-CB 4.33Å; L636-L716 HydrophobicContact CD1-CD2 4.39Å; M712-L716 HydrophobicContact CG-CD1 4.15Å; M712-L716 HydrophobicContact CG-CD2 4.34Å; M712-L716 HydrophobicContact CG-CG 4.11Å; M712-L716 VanDerWaalsContact O-CG 3.32Å; M712-L716 WeakPolarHBondContact O-CG 3.45Å; M712-L716 PolarHBondContact O-N 2.74Å; M712-L716 HydrophobicContact SD-CD2 3.72Å; M712-L716 HydrophobicContact SD-CG 4.1Å; S713-L716 PolarHBondContact O-N 3.39Å; L716-R718 VanDerWaalsContact C-N 3.31Å; L716-R718 PolarHBondContact O-N 3.33Å; L716-I719 WeakPolarHBondContact O-CG2 3.46Å
717N78.7Confident77.1Confident29 Ų2934 Ų3416%0.15517%0.165CC..Hα-helixtrans-75.5-18.7-179-70.7-15.1000113.5W568 S713 F715W568-N717 WeakPolarHBondContact CZ3-OD1 3.12Å; S713-N717 WeakPolarHBondContact O-CB 3.34Å; S713-N717 VanDerWaalsContact O-CG 3.28Å; S713-N717 PolarHBondContact O-N 3.3Å; S713-N717 PolarHBondContact O-ND2 3.46Å; F715-N717 VanDerWaalsContact C-N 3.33Å; F715-N717 PolarHBondContact O-N 2.74Å
718R83.4Confident79Confident33 Ų3327.1 Ų27.113%0.12514%0.137CC..Hα-helixtrans-92.5-32.3179.5-73.6-69.7-174.6-77.2-8113.4W116 V697 L699 K714 F715 L716 L720 G721W116-R718 VanDerWaalsContact CE2-NH2 3.27Å; V697-R718 HydrophobicContact CB-CB 4.4Å; V697-R718 HydrophobicContact CG2-CB 4.03Å; V697-R718 WeakPolarHBondContact O-CD 3.46Å; V697-R718 PolarHBondContact O-NE 3.23Å; L699-R718 HydrophobicContact CD1-CB 3.63Å; L699-R718 HydrophobicContact CD1-CG 4.24Å; L699-R718 HydrophobicContact CD2-CB 4.32Å; L699-R718 HydrophobicContact CD2-CG 4.04Å; L699-R718 HydrophobicContact CG-CB 3.9Å; L699-R718 HydrophobicContact CG-CG 3.97Å; K714-R718 VanDerWaalsContact O-CB 3.29Å; K714-R718 WeakPolarHBondContact O-CB 3.4Å; K714-R718 WeakPolarHBondContact O-CG 3.21Å; K714-R718 PolarHBondContact O-N 3.23Å; K714-R718 VanDerWaalsContact O-N 3.12Å; F715-R718 PolarHBondContact O-N 2.93Å; L716-R718 VanDerWaalsContact C-N 3.31Å; L716-R718 PolarHBondContact O-N 3.33Å; R718-L720 PolarHBondContact O-N 3.01Å; R718-G721 PolarHBondContact O-N 3.47Å
719I86.8Confident80.8Confident0 Ų025.3 Ų25.30%013%0.129CC..G310 helixtrans-63.4-12.4176.8-148.1-178.5000113F715 L716 G721 I722 Q727 L730F715-I719 HydrophobicContact CZ-CD1 4.35Å; F715-I719 PolarHBondContact O-N 3.42Å; L716-I719 WeakPolarHBondContact O-CG2 3.46Å; I719-G721 VanDerWaalsContact C-N 3.32Å; I719-I722 HydrophobicContact CG1-CD1 4.18Å; I719-Q727 HydrophobicContact CG1-CG 4.19Å; I719-Q727 VanDerWaalsContact O-CD 3.26Å; I719-Q727 WeakPolarHBondContact O-CG 3.12Å; I719-Q727 PolarHBondContact O-NE2 3.38Å; I719-L730 HydrophobicContact CD1-CB 4.41Å; I719-L730 HydrophobicContact CD1-CD2 3.97Å; I719-L730 HydrophobicContact CD1-CG 4.11Å; I719-L730 HydrophobicContact CG1-CD2 4.15Å
720L85.1Confident82.4Confident5 Ų524.7 Ų24.73%0.02613%0.125CC..G310 helixtrans-67.6-26.9169.8-67.1170.1000113.3Y80 F123 F604 R718 I722Y80-L720 PolarHBondContact OH-O 3.27Å; F123-L720 HydrophobicContact CB-CB 4.05Å; F123-L720 WeakPolarHBondContact CD1-O 3.22Å; F123-L720 HydrophobicContact CD2-CB 4.38Å; F123-L720 WeakPolarHBondContact CE1-O 3.34Å; F123-L720 HydrophobicContact CG-CB 4.26Å; F604-L720 HydrophobicContact CE2-CD1 4.4Å; R718-L720 PolarHBondContact O-N 3.01Å; L720-I722 VanDerWaalsContact C-N 3.26Å; L720-I722 PolarHBondContact O-N 2.92Å
721G85.5Confident83.8Confident3 Ų324 Ų243%0.03112%0.12CC..G310 helixtrans-91.432.2178.900000113.4T84 H119 V697 R718 I719T84-G721 WeakPolarHBondContact CG2-O 3.4Å; H119-G721 WeakPolarHBondContact NE2-CA 3.37Å; V697-G721 WeakPolarHBondContact CG1-O 3.48Å; R718-G721 PolarHBondContact O-N 3.47Å; I719-G721 VanDerWaalsContact C-N 3.32Å
722I89.8Confident84.5Confident2 Ų224.2 Ų24.21%0.0112%0.121CC..SBendtrans-128.6142.5-175.1-63.1-174.2000108.5L694 V697 I719 L720 I726 Q727 L730L694-I722 HydrophobicContact CD2-CD1 4.38Å; V697-I722 HydrophobicContact CG1-CG1 3.86Å; V697-I722 HydrophobicContact CG2-CD1 4.37Å; I719-I722 HydrophobicContact CG1-CD1 4.18Å; L720-I722 VanDerWaalsContact C-N 3.26Å; L720-I722 PolarHBondContact O-N 2.92Å; I722-I726 HydrophobicContact CG2-CB 3.75Å; I722-I726 HydrophobicContact CG2-CG2 3.99Å; I722-Q727 HydrophobicContact CB-CB 4.21Å; I722-Q727 HydrophobicContact CG2-CB 4.03Å; I722-L730 HydrophobicContact CD1-CD2 4.41Å
723R90.1Very high85.1Confident73 Ų7324.2 Ų24.228%0.27512%0.121SC..  trans-57.6141.5-179.7-71.7-179.7169.1-161.8-3110.8N81 T84 D85 D669 H725 I726 Q727N81-R723 HydrophobicContact CB-CG 4.22Å; N81-R723 VanDerWaalsContact OD1-CA 3.29Å; N81-R723 WeakPolarHBondContact OD1-CA 3.39Å; N81-R723 WeakPolarHBondContact OD1-CB 3.45Å; T84-R723 HydrophobicContact CG2-CG 4.06Å; D85-R723 IonicContact OD1-CZ 2.71Å; D85-R723 IonicContact OD1-NE 3.69Å; D85-R723 PolarHBondContact OD1-NE 2.87Å; D85-R723 IonicContact OD1-NH2 2.73Å; D85-R723 PolarHBondContact OD1-NH2 2.9Å; D85-R723 IonicContact OD2-CZ 3.54Å; D85-R723 IonicContact OD2-NE 3.44Å; D85-R723 IonicContact OD2-NH2 3.74Å; D85-R723 PolarHBondContact OD2-NH2 3.42Å; D669-R723 IonicContact OD2-NH1 3.05Å; D669-R723 PolarHBondContact OD2-NH1 3.36Å; R723-H725 VanDerWaalsContact C-N 3.32Å; R723-H725 PolarHBondContact O-N 3.5Å; R723-H725 VanDerWaalsContact O-N 3.13Å; R723-I726 HydrophobicContact CB-CD1 4.18Å; R723-I726 HydrophobicContact CB-CG1 4.32Å; R723-I726 PolarHBondContact O-N 3.13Å; R723-Q727 WeakPolarHBondContact O-CB 3.4Å; R723-Q727 PolarHBondContact O-N 3.36Å
724V89.1Confident85.9Confident6 Ų621 Ų214%0.03610%0.098CC..Hα-helixtrans-50.5-45.7-166.8175.30000113.3I66 I77 Y80 N81 L598 Q727 N728I66-V724 HydrophobicContact CD1-CG1 3.41Å; I66-V724 VanDerWaalsContact CD1-CG1 3.41Å; I66-V724 HydrophobicContact CG1-CG1 4.41Å; I77-V724 HydrophobicContact CG1-CG1 4.43Å; I77-V724 HydrophobicContact CG2-CB 4.18Å; I77-V724 HydrophobicContact CG2-CG2 4.18Å; Y80-V724 HydrophobicContact CD1-CG2 3.6Å; Y80-V724 HydrophobicContact CE1-CG2 4.29Å; Y80-V724 HydrophobicContact CG-CG2 3.92Å; N81-V724 PolarHBondContact OD1-N 2.85Å; L598-V724 HydrophobicContact CD1-CB 4.43Å; L598-V724 HydrophobicContact CD1-CG1 3.99Å; L598-V724 HydrophobicContact CD1-CG2 4.02Å; V724-Q727 PolarHBondContact O-N 2.99Å; V724-N728 WeakPolarHBondContact O-CB 3.43Å; V724-N728 PolarHBondContact O-N 3.38Å
725H87.3Confident86.2Confident60 Ų6020 Ų2028%0.27810%0.098SC..Hα-helixtrans-66.8-44.4-178.759.6-107.6000112.3D669 R723 N728 A729D669-H725 IonicContact OD1-CE1 3.66Å; D669-H725 IonicContact OD2-CE1 2.74Å; R723-H725 VanDerWaalsContact C-N 3.32Å; R723-H725 PolarHBondContact O-N 3.5Å; R723-H725 VanDerWaalsContact O-N 3.13Å; H725-N728 PolarHBondContact O-N 3.41Å; H725-A729 WeakPolarHBondContact O-CB 3.5Å; H725-A729 PolarHBondContact O-N 2.88Å
726I88Confident86.4Confident10 Ų1023.4 Ų23.45%0.05111%0.114CC..Hα-helixtrans-67.1-41.5178.2-42.6176.1000110.2D689 V690 S693 I722 R723 L730D689-I726 HydrophobicContact CB-CD1 4.31Å; V690-I726 HydrophobicContact CB-CG2 4.47Å; V690-I726 HydrophobicContact CG2-CG2 3.72Å; S693-I726 VanDerWaalsContact OG-CD1 3.26Å; S693-I726 WeakPolarHBondContact OG-CD1 3.36Å; I722-I726 HydrophobicContact CG2-CB 3.75Å; I722-I726 HydrophobicContact CG2-CG2 3.99Å; R723-I726 HydrophobicContact CB-CD1 4.18Å; R723-I726 HydrophobicContact CB-CG1 4.32Å; R723-I726 PolarHBondContact O-N 3.13Å; I726-L730 WeakPolarHBondContact O-CB 3.49Å; I726-L730 PolarHBondContact O-N 3.19Å
727Q88.7Confident86.9Confident0 Ų022.7 Ų22.70%011%0.11CC..Hα-helixtrans-59.6-45.1177.3170.2178.440.700112Y80 A599 I719 I722 R723 V724 F731Y80-Q727 PolarHBondContact OH-NE2 2.87Å; A599-Q727 HydrophobicContact CB-CG 4.19Å; I719-Q727 HydrophobicContact CG1-CG 4.19Å; I719-Q727 VanDerWaalsContact O-CD 3.26Å; I719-Q727 WeakPolarHBondContact O-CG 3.12Å; I719-Q727 PolarHBondContact O-NE2 3.38Å; I722-Q727 HydrophobicContact CB-CB 4.21Å; I722-Q727 HydrophobicContact CG2-CB 4.03Å; R723-Q727 WeakPolarHBondContact O-CB 3.4Å; R723-Q727 PolarHBondContact O-N 3.36Å; V724-Q727 PolarHBondContact O-N 2.99Å; Q727-F731 WeakPolarHBondContact O-CB 3.35Å; Q727-F731 PolarHBondContact O-N 3.08Å; Q727-F731 VanDerWaalsContact O-N 3.16Å
728N88.3Confident87.2Confident40 Ų4021.7 Ų21.721%0.21411%0.105CC..Hα-helixtrans-71.5-46.1178.8-74.9-0.1000111.8A599 V724 H725 L730 F731 Q732A599-N728 VanDerWaalsContact CB-OD1 3.25Å; A599-N728 WeakPolarHBondContact CB-OD1 3.49Å; A599-N728 PolarHBondContact N-OD1 2.9Å; V724-N728 WeakPolarHBondContact O-CB 3.43Å; V724-N728 PolarHBondContact O-N 3.38Å; H725-N728 PolarHBondContact O-N 3.41Å; N728-L730 PolarHBondContact O-N 2.99Å; N728-F731 PolarHBondContact O-N 3.4Å; N728-F731 VanDerWaalsContact O-N 3.11Å; N728-Q732 PolarHBondContact O-N 2.71Å
729A88Confident87.1Confident10 Ų1026.1 Ų26.18%0.08313%0.127CC..Hα-helixtrans-61.5-42.8177.600000112.5P663 Y666 F686 H725 F731 Q732 Y733P663-A729 HydrophobicContact CG-CB 4.26Å; Y666-A729 HydrophobicContact CD2-CB 3.71Å; Y666-A729 HydrophobicContact CE2-CB 4.12Å; F686-A729 HydrophobicContact CD2-CB 4.19Å; F686-A729 HydrophobicContact CE2-CB 3.75Å; H725-A729 WeakPolarHBondContact O-CB 3.5Å; H725-A729 PolarHBondContact O-N 2.88Å; A729-F731 VanDerWaalsContact C-N 3.29Å; A729-F731 PolarHBondContact O-N 3.38Å; A729-Q732 PolarHBondContact O-N 3.23Å; A729-Y733 WeakPolarHBondContact O-CB 3.33Å; A729-Y733 PolarHBondContact O-N 3.27Å
730L88.7Confident87Confident1 Ų127.8 Ų27.81%0.00514%0.135CC..Hα-helixtrans-62.8-34.2174.117856.9000112.4V648 V690 L694 F715 I719 I722 I726 N728 F734V648-L730 HydrophobicContact CG1-CD1 4.03Å; V690-L730 HydrophobicContact CG1-CD1 3.82Å; V690-L730 HydrophobicContact CG1-CD2 4.12Å; V690-L730 HydrophobicContact CG1-CG 4.48Å; V690-L730 HydrophobicContact CG2-CB 4.28Å; V690-L730 HydrophobicContact CG2-CD1 4.41Å; L694-L730 HydrophobicContact CD2-CD2 4.29Å; F715-L730 HydrophobicContact CE2-CD2 4.24Å; F715-L730 HydrophobicContact CZ-CG 4.48Å; I719-L730 HydrophobicContact CD1-CB 4.41Å; I719-L730 HydrophobicContact CD1-CD2 3.97Å; I719-L730 HydrophobicContact CD1-CG 4.11Å; I719-L730 HydrophobicContact CG1-CD2 4.15Å; I722-L730 HydrophobicContact CD1-CD2 4.41Å; I726-L730 WeakPolarHBondContact O-CB 3.49Å; I726-L730 PolarHBondContact O-N 3.19Å; N728-L730 PolarHBondContact O-N 2.99Å; L730-F734 WeakPolarHBondContact O-CB 3.41Å; L730-F734 PolarHBondContact O-N 3.47Å; L730-F734 VanDerWaalsContact O-N 3.1Å
731F85.9Confident87Confident20 Ų2027.7 Ų27.79%0.08813%0.134CC..Hα-helixtrans-75-38.7176.3179.4-130.2000113.3A599 Q602 R603 L636 Q727 N728 A729 F734 S735A599-F731 HydrophobicContact CB-CB 3.29Å; A599-F731 HydrophobicContact CB-CD1 3.33Å; A599-F731 HydrophobicContact CB-CE1 4.33Å; A599-F731 HydrophobicContact CB-CG 3.54Å; Q602-F731 HydrophobicContact CB-CE1 4.13Å; Q602-F731 VanDerWaalsContact OE1-CE1 3.29Å; R603-F731 HydrophobicContact CG-CD2 4.04Å; R603-F731 HydrophobicContact CG-CE2 3.58Å; R603-F731 HydrophobicContact CG-CZ 3.89Å; R603-F731 VanDerWaalsContact NE-CD2 3.32Å; R603-F731 VanDerWaalsContact NH2-CD2 3.29Å; L636-F731 HydrophobicContact CD1-CE2 4.17Å; Q727-F731 WeakPolarHBondContact O-CB 3.35Å; Q727-F731 PolarHBondContact O-N 3.08Å; Q727-F731 VanDerWaalsContact O-N 3.16Å; N728-F731 PolarHBondContact O-N 3.4Å; N728-F731 VanDerWaalsContact O-N 3.11Å; A729-F731 VanDerWaalsContact C-N 3.29Å; A729-F731 PolarHBondContact O-N 3.38Å; F731-F734 AromaticContact CD2-CD1 3.88Å; F731-F734 HydrophobicContact CD2-CD1 3.88Å; F731-F734 HydrophobicContact CE2-CD1 4.02Å; F731-F734 HydrophobicContact CE2-CE1 4.3Å; F731-F734 PolarHBondContact O-N 2.86Å; F731-S735 WeakPolarHBondContact CD2-OG 3.44Å; F731-S735 VanDerWaalsContact CE2-OG 3.23Å; F731-S735 WeakPolarHBondContact CE2-OG 3.5Å; F731-S735 WeakPolarHBondContact O-CB 3.37Å; F731-S735 PolarHBondContact O-N 3.27Å; F731-S735 PolarHBondContact O-OG 3.49Å
732Q86Confident86.5Confident74 Ų7428.8 Ų28.835%0.34614%0.14SC..Hα-helixtrans-58.1-52.2171.8178.8177.9-13.900110N728 A729 F734 S735 E736N728-Q732 PolarHBondContact O-N 2.71Å; A729-Q732 PolarHBondContact O-N 3.23Å; Q732-F734 VanDerWaalsContact C-N 3.29Å; Q732-F734 PolarHBondContact O-N 3.31Å; Q732-S735 PolarHBondContact O-N 2.97Å; Q732-E736 HydrophobicContact CG-CG 4.37Å; Q732-E736 WeakPolarHBondContact CG-OE1 3.45Å; Q732-E736 PolarHBondContact NE2-OE1 2.74Å; Q732-E736 WeakPolarHBondContact O-CG 3.21Å; Q732-E736 PolarHBondContact O-N 2.85Å
733Y89.2Confident86Confident3 Ų333.1 Ų33.11%0.01216%0.156CC..Hα-helixtrans-54.7-43.4177.8-171.4-113.4000113.1V648 A651 V660 D661 F686 F687 A729 T737V648-Y733 HydrophobicContact CG1-CD1 4.03Å; V648-Y733 HydrophobicContact CG1-CE1 4.35Å; V648-Y733 HydrophobicContact CG2-CD1 4.12Å; V648-Y733 HydrophobicContact CG2-CE1 4.18Å; A651-Y733 HydrophobicContact CB-CE1 4.45Å; V660-Y733 HydrophobicContact CB-CE2 4.43Å; V660-Y733 WeakPolarHBondContact O-CE2 3.26Å; V660-Y733 PolarHBondContact O-OH 3.01Å; D661-Y733 WeakPolarHBondContact O-CE2 3.16Å; F686-Y733 HydrophobicContact CE1-CD1 4.24Å; F686-Y733 HydrophobicContact CE1-CD2 4.45Å; F686-Y733 HydrophobicContact CE1-CG 4.11Å; F686-Y733 HydrophobicContact CZ-CD1 4.33Å; F686-Y733 HydrophobicContact CZ-CG 4.05Å; F687-Y733 HydrophobicContact CE1-CE1 4.28Å; A729-Y733 WeakPolarHBondContact O-CB 3.33Å; A729-Y733 PolarHBondContact O-N 3.27Å; Y733-T737 WeakPolarHBondContact O-CB 3.08Å; Y733-T737 PolarHBondContact O-N 2.73Å; Y733-T737 VanDerWaalsContact O-N 3.09Å; Y733-T737 PolarHBondContact O-OG1 3.05Å
734F88.2Confident85.6Confident0 Ų034.4 Ų34.40%016%0.161CC..Hα-helixtrans-66.2-38.6174.3164.4-93.3000113.5L636 A644 L645 V648 M712 F715 L730 F731 Q732 L738L636-F734 HydrophobicContact CB-CZ 4.43Å; L636-F734 HydrophobicContact CD1-CE1 4.09Å; L636-F734 HydrophobicContact CD2-CE1 3.95Å; L636-F734 HydrophobicContact CD2-CZ 4.47Å; L636-F734 HydrophobicContact CG-CE1 4.39Å; A644-F734 HydrophobicContact CB-CE2 4.43Å; L645-F734 HydrophobicContact CB-CE2 4.03Å; V648-F734 HydrophobicContact CG1-CB 4.5Å; V648-F734 HydrophobicContact CG2-CB 4.16Å; V648-F734 HydrophobicContact CG2-CD2 4.26Å; M712-F734 HydrophobicContact CE-CE2 3.88Å; M712-F734 HydrophobicContact CE-CZ 3.71Å; M712-F734 HydrophobicContact SD-CZ 4.11Å; F715-F734 HydrophobicContact CE1-CD2 4.11Å; F715-F734 HydrophobicContact CE1-CE2 4.43Å; F715-F734 HydrophobicContact CE1-CG 4.23Å; L730-F734 WeakPolarHBondContact O-CB 3.41Å; L730-F734 PolarHBondContact O-N 3.47Å; L730-F734 VanDerWaalsContact O-N 3.1Å; F731-F734 AromaticContact CD2-CD1 3.88Å; F731-F734 HydrophobicContact CD2-CD1 3.88Å; F731-F734 HydrophobicContact CE2-CD1 4.02Å; F731-F734 HydrophobicContact CE2-CE1 4.3Å; F731-F734 PolarHBondContact O-N 2.86Å; Q732-F734 VanDerWaalsContact C-N 3.29Å; Q732-F734 PolarHBondContact O-N 3.31Å; F734-L738 HydrophobicContact CZ-CD2 4.39Å; F734-L738 WeakPolarHBondContact O-CB 3.48Å; F734-L738 PolarHBondContact O-N 3.03Å
735S83.6Confident84.7Confident30 Ų3034.5 Ų34.521%0.2116%0.162CC..Hα-helixtrans-71.3-44-178.3-58.80000111.6F731 Q732 T737 L738 E739F731-S735 WeakPolarHBondContact CD2-OG 3.44Å; F731-S735 VanDerWaalsContact CE2-OG 3.23Å; F731-S735 WeakPolarHBondContact CE2-OG 3.5Å; F731-S735 WeakPolarHBondContact O-CB 3.37Å; F731-S735 PolarHBondContact O-N 3.27Å; F731-S735 PolarHBondContact O-OG 3.49Å; Q732-S735 PolarHBondContact O-N 2.97Å; S735-T737 VanDerWaalsContact C-N 3.33Å; S735-T737 PolarHBondContact O-N 3.24Å; S735-L738 PolarHBondContact O-N 3.45Å; S735-E739 PolarHBondContact O-N 2.85Å
736E86.1Confident83.7Confident75 Ų7536.8 Ų36.835%0.3517%0.172SC..Hα-helixtrans-63.6-39174.4-64.9-178.3-157.800111.4V660 Q732 E739 E740V660-E736 HydrophobicContact CG1-CB 4.07Å; Q732-E736 HydrophobicContact CG-CG 4.37Å; Q732-E736 WeakPolarHBondContact CG-OE1 3.45Å; Q732-E736 PolarHBondContact NE2-OE1 2.74Å; Q732-E736 WeakPolarHBondContact O-CG 3.21Å; Q732-E736 PolarHBondContact O-N 2.85Å; E736-E739 PolarHBondContact O-N 3.32Å; E736-E740 PolarHBondContact O-N 3.32Å
737T88Confident82.7Confident2 Ų243.8 Ų43.81%0.01220%0.197CC..Hα-helixtrans-62.2-42.8172.6-59.80000111.7A644 L647 V648 Y733 S735 E740 V741A644-T737 HydrophobicContact CB-CG2 4.13Å; L647-T737 HydrophobicContact CB-CG2 4.36Å; V648-T737 HydrophobicContact CG2-CG2 4.07Å; Y733-T737 WeakPolarHBondContact O-CB 3.08Å; Y733-T737 PolarHBondContact O-N 2.73Å; Y733-T737 VanDerWaalsContact O-N 3.09Å; Y733-T737 PolarHBondContact O-OG1 3.05Å; S735-T737 VanDerWaalsContact C-N 3.33Å; S735-T737 PolarHBondContact O-N 3.24Å; T737-E740 PolarHBondContact O-N 2.92Å; T737-V741 HydrophobicContact CG2-CG2 4.41Å; T737-V741 WeakPolarHBondContact O-CB 3.22Å; T737-V741 VanDerWaalsContact O-CG2 3.3Å; T737-V741 WeakPolarHBondContact O-CG2 3.49Å; T737-V741 PolarHBondContact O-N 2.95Å
738L84.8Confident81.8Confident9 Ų947.7 Ų47.75%0.04722%0.218CC..Hα-helixtrans-65.5-38.7175177.354.2000112.3L636 L640 A644 F734 S735 T742L636-L738 HydrophobicContact CD2-CD2 3.51Å; L640-L738 HydrophobicContact CB-CD1 4.21Å; A644-L738 HydrophobicContact CB-CB 3.98Å; A644-L738 HydrophobicContact CB-CD1 4.18Å; F734-L738 HydrophobicContact CZ-CD2 4.39Å; F734-L738 WeakPolarHBondContact O-CB 3.48Å; F734-L738 PolarHBondContact O-N 3.03Å; S735-L738 PolarHBondContact O-N 3.45Å; L738-T742 WeakPolarHBondContact O-CB 3.32Å; L738-T742 PolarHBondContact O-N 3.43Å; L738-T742 PolarHBondContact O-OG1 2.85Å
739E82.4Confident80.3Confident126 Ų12652.9 Ų52.959%0.58925%0.246SC*.Hα-helixtrans-60.4-46.8173-79.5-166.7-148.600111.5S735 E736 T742 R743S735-E739 PolarHBondContact O-N 2.85Å; E736-E739 PolarHBondContact O-N 3.32Å; E739-T742 CarbonylContact O-C 3.58Å; E739-T742 PolarHBondContact O-N 2.71Å; E739-R743 VanDerWaalsContact O-CB 3.24Å; E739-R743 WeakPolarHBondContact O-CB 3.37Å; E739-R743 PolarHBondContact O-N 2.94Å
740E84.5Confident79.1Confident35 Ų3561.9 Ų61.916%0.16428%0.278CS..Hα-helixtrans-67.2-43.3179.4174.953.7-147.800112.3I659 V660 E736 T737 T742 R743 R744I659-E740 HydrophobicContact CG2-CB 4Å; I659-E740 HydrophobicContact CG2-CG 3.28Å; V660-E740 HydrophobicContact CG2-CB 4.13Å; E736-E740 PolarHBondContact O-N 3.32Å; T737-E740 PolarHBondContact O-N 2.92Å; E740-T742 VanDerWaalsContact C-N 3.34Å; E740-T742 PolarHBondContact O-N 2.98Å; E740-R743 VanDerWaalsContact CD-CZ 3.45Å; E740-R743 CarbonylContact O-C 3.58Å; E740-R743 WeakPolarHBondContact O-CB 3.23Å; E740-R743 PolarHBondContact O-N 3.1Å; E740-R743 VanDerWaalsContact O-N 3.15Å; E740-R743 IonicContact OE1-CZ 2.69Å; E740-R743 VanDerWaalsContact OE1-CZ 3.25Å; E740-R743 IonicContact OE1-NE 3.23Å; E740-R743 IonicContact OE1-NH1 2.66Å; E740-R743 IonicContact OE1-NH2 2.67Å; E740-R743 PolarHBondContact OE1-NH2 3.38Å; E740-R743 IonicContact OE2-CZ 2.77Å; E740-R743 IonicContact OE2-NE 3.64Å; E740-R743 PolarHBondContact OE2-NE 2.99Å; E740-R743 IonicContact OE2-NH1 2.68Å; E740-R743 IonicContact OE2-NH2 3.31Å; E740-R743 PolarHBondContact OE2-NH2 3.4Å; E740-R744 WeakPolarHBondContact O-CG 3.25Å; E740-R744 PolarHBondContact O-N 3.38Å; E740-R744 WeakPolarHBondContact OE1-CG 3.46Å; E740-R744 IonicContact OE1-CZ 2.71Å; E740-R744 IonicContact OE1-NE 3.48Å; E740-R744 PolarHBondContact OE1-NE 3.11Å; E740-R744 IonicContact OE1-NH2 2.66Å; E740-R744 PolarHBondContact OE1-NH2 3.16Å
741V85.3Confident77.7Confident3 Ų364.4 Ų64.42%0.01829%0.291CS..Hα-helixtrans-59.2-45.3171.8169.40000110.5L640 E643 A644 L647 I659 T737 R743 R744 A745L640-V741 HydrophobicContact CB-CG1 4.09Å; L640-V741 HydrophobicContact CD2-CG1 4.11Å; E643-V741 HydrophobicContact CG-CG1 4.3Å; A644-V741 HydrophobicContact CB-CG2 4.3Å; L647-V741 HydrophobicContact CD1-CG2 3.82Å; I659-V741 HydrophobicContact CD1-CG2 4.4Å; T737-V741 HydrophobicContact CG2-CG2 4.41Å; T737-V741 WeakPolarHBondContact O-CB 3.22Å; T737-V741 VanDerWaalsContact O-CG2 3.3Å; T737-V741 WeakPolarHBondContact O-CG2 3.49Å; T737-V741 PolarHBondContact O-N 2.95Å; V741-R743 VanDerWaalsContact C-N 3.3Å; V741-R743 PolarHBondContact O-N 3.27Å; V741-R744 WeakPolarHBondContact O-CB 3.25Å; V741-R744 PolarHBondContact O-N 2.82Å; V741-R744 VanDerWaalsContact O-N 3.15Å; V741-A745 PolarHBondContact O-N 2.98Å
742T75.7Confident76.2Confident25 Ų2567.2 Ų67.215%0.15331%0.307CS..Hα-helixtrans-62.6-37.4175.1-61.40000111.7L738 E739 E740 A745 K746 L751L738-T742 WeakPolarHBondContact O-CB 3.32Å; L738-T742 PolarHBondContact O-N 3.43Å; L738-T742 PolarHBondContact O-OG1 2.85Å; E739-T742 CarbonylContact O-C 3.58Å; E739-T742 PolarHBondContact O-N 2.71Å; E740-T742 VanDerWaalsContact C-N 3.34Å; E740-T742 PolarHBondContact O-N 2.98Å; T742-A745 PolarHBondContact O-N 3.36Å; T742-K746 HydrophobicContact CG2-CD 4.02Å; T742-K746 WeakPolarHBondContact O-CB 3.18Å; T742-K746 VanDerWaalsContact O-CG 3.22Å; T742-K746 WeakPolarHBondContact O-CG 3.17Å; T742-K746 PolarHBondContact O-N 2.9Å; T742-L751 HydrophobicContact CG2-CD2 4.08Å
743R78.2Confident74.8Confident94 Ų9468.7 Ų68.736%0.35532%0.316SS..Hα-helixtrans-71-28.7176.4-161.1-163.360.635.7-14.6112E739 E740 V741 R747E739-R743 VanDerWaalsContact O-CB 3.24Å; E739-R743 WeakPolarHBondContact O-CB 3.37Å; E739-R743 PolarHBondContact O-N 2.94Å; E740-R743 VanDerWaalsContact CD-CZ 3.45Å; E740-R743 CarbonylContact O-C 3.58Å; E740-R743 WeakPolarHBondContact O-CB 3.23Å; E740-R743 PolarHBondContact O-N 3.1Å; E740-R743 VanDerWaalsContact O-N 3.15Å; E740-R743 IonicContact OE1-CZ 2.69Å; E740-R743 VanDerWaalsContact OE1-CZ 3.25Å; E740-R743 IonicContact OE1-NE 3.23Å; E740-R743 IonicContact OE1-NH1 2.66Å; E740-R743 IonicContact OE1-NH2 2.67Å; E740-R743 PolarHBondContact OE1-NH2 3.38Å; E740-R743 IonicContact OE2-CZ 2.77Å; E740-R743 IonicContact OE2-NE 3.64Å; E740-R743 PolarHBondContact OE2-NE 2.99Å; E740-R743 IonicContact OE2-NH1 2.68Å; E740-R743 IonicContact OE2-NH2 3.31Å; E740-R743 PolarHBondContact OE2-NH2 3.4Å; V741-R743 VanDerWaalsContact C-N 3.3Å; V741-R743 PolarHBondContact O-N 3.27Å; R743-R747 VanDerWaalsContact NH1-CZ 3.31Å; R743-R747 WeakPolarHBondContact O-CB 3.35Å; R743-R747 PolarHBondContact O-N 2.64Å
744R81.7Confident73.4Confident100 Ų10069.3 Ų69.338%0.37732%0.324SS..Hα-helixtrans-70.7-51.6169.4-69.1171.9-173.1-154.41.4110E740 V741 K746 R747 D748E740-R744 WeakPolarHBondContact O-CG 3.25Å; E740-R744 PolarHBondContact O-N 3.38Å; E740-R744 WeakPolarHBondContact OE1-CG 3.46Å; E740-R744 IonicContact OE1-CZ 2.71Å; E740-R744 IonicContact OE1-NE 3.48Å; E740-R744 PolarHBondContact OE1-NE 3.11Å; E740-R744 IonicContact OE1-NH2 2.66Å; E740-R744 PolarHBondContact OE1-NH2 3.16Å; V741-R744 WeakPolarHBondContact O-CB 3.25Å; V741-R744 PolarHBondContact O-N 2.82Å; V741-R744 VanDerWaalsContact O-N 3.15Å; R744-K746 VanDerWaalsContact C-N 3.28Å; R744-K746 PolarHBondContact O-N 3.45Å; R744-R747 WeakPolarHBondContact O-CA 3.25Å; R744-R747 WeakPolarHBondContact O-CB 3.38Å; R744-R747 PolarHBondContact O-N 3.17Å; R744-D748 PolarHBondContact O-N 2.68Å
745A71.2Confident72.1Confident7 Ų771.2 Ų71.26%0.05833%0.334CS..Hα-helixtrans-58.5-35.717700000113.7L640 V741 T742 N749 R750 L751L640-A745 HydrophobicContact CD1-CB 3.66Å; L640-A745 HydrophobicContact CD2-CB 3.9Å; L640-A745 HydrophobicContact CG-CB 4.47Å; V741-A745 PolarHBondContact O-N 2.98Å; T742-A745 PolarHBondContact O-N 3.36Å; A745-N749 PolarHBondContact O-N 3.36Å; A745-R750 HydrophobicContact CB-CB 4.47Å; A745-R750 PolarHBondContact O-N 2.87Å; A745-L751 HydrophobicContact CB-CB 4.07Å; A745-L751 PolarHBondContact O-N 3.5Å
746K64.4Low71.3Confident109 Ų10972.2 Ų72.247%0.47434%0.337SS..Hα-helixtrans-66.6-39.7171.3-76.5168.3-179.9167.40112.9T742 R744 L751T742-K746 HydrophobicContact CG2-CD 4.02Å; T742-K746 WeakPolarHBondContact O-CB 3.18Å; T742-K746 VanDerWaalsContact O-CG 3.22Å; T742-K746 WeakPolarHBondContact O-CG 3.17Å; T742-K746 PolarHBondContact O-N 2.9Å; R744-K746 VanDerWaalsContact C-N 3.28Å; R744-K746 PolarHBondContact O-N 3.45Å; K746-L751 HydrophobicContact CD-CD2 4.11Å; K746-L751 VanDerWaalsContact CE-CD2 3.45Å; K746-L751 HydrophobicContact CG-CB 4.42Å; K746-L751 HydrophobicContact CG-CD2 3.54Å
747R67.5Low70.5Confident157 Ų15771.6 Ų71.659%0.59234%0.336SS*.Hα-helixtrans-65.5-41.7176179.5-172.6-69.6150-3.6111.4R743 R744 N749R743-R747 VanDerWaalsContact NH1-CZ 3.31Å; R743-R747 WeakPolarHBondContact O-CB 3.35Å; R743-R747 PolarHBondContact O-N 2.64Å; R744-R747 WeakPolarHBondContact O-CA 3.25Å; R744-R747 WeakPolarHBondContact O-CB 3.38Å; R744-R747 PolarHBondContact O-N 3.17Å; R747-N749 VanDerWaalsContact C-N 3.27Å; R747-N749 PolarHBondContact O-N 2.83Å; R747-N749 PolarHBondContact O-ND2 2.84Å
748D70.8Confident69.6Low81 Ų8172.1 Ų72.143%0.43334%0.338SS..THydrogen-bonded Turntrans-85.40.3-173.1-60-7.1000113R744 R750R744-D748 PolarHBondContact O-N 2.68Å; D748-R750 HydrophobicContact CB-CG 4.02Å; D748-R750 PolarHBondContact O-N 3.21Å
749N57.1Low68.6Low149 Ų14972.7 Ų72.780%0.79735%0.346SS*.THydrogen-bonded Turntrans55.135.2-173.5-54.4-93.6000113A745 R747A745-N749 PolarHBondContact O-N 3.36Å; R747-N749 VanDerWaalsContact C-N 3.27Å; R747-N749 PolarHBondContact O-N 2.83Å; R747-N749 PolarHBondContact O-ND2 2.84Å
750R61.7Low67.4Low200 Ų20070.2 Ų70.276%0.75534%0.339SS*.  trans-95.6-21.2176.6-70.6178.3173.7174.5-2.1113.5A745 D748A745-R750 HydrophobicContact CB-CB 4.47Å; A745-R750 PolarHBondContact O-N 2.87Å; D748-R750 HydrophobicContact CB-CG 4.02Å; D748-R750 PolarHBondContact O-N 3.21Å
751L58.7Low65.8Low54 Ų5473 Ų7328%0.28336%0.363SS..SBendtrans-80.6123.3174.8178.164.2000110.3L640 T742 A745 K746 L753L640-L751 HydrophobicContact CD1-CD1 3.92Å; T742-L751 HydrophobicContact CG2-CD2 4.08Å; A745-L751 HydrophobicContact CB-CB 4.07Å; A745-L751 PolarHBondContact O-N 3.5Å; K746-L751 HydrophobicContact CD-CD2 4.11Å; K746-L751 VanDerWaalsContact CE-CD2 3.45Å; K746-L751 HydrophobicContact CG-CB 4.42Å; K746-L751 HydrophobicContact CG-CD2 3.54Å; L751-L753 HydrophobicContact CD2-CD2 3.75Å; L751-L753 HydrophobicContact CG-CD2 4.16Å; L751-L753 PolarHBondContact O-N 3.24Å
752D55.5Low64.4Low79 Ų7976.3 Ų76.342%0.42240%0.397SS..  trans-68.6123.7161.5-175.915.3000109.3G754D752-G754 PolarHBondContact OD1-N 2.86Å
753L56.4Low63.9Low104 Ų10477.2 Ų77.255%0.54540%0.4SS..  trans-94.62.4177.3-65.4172.8000111.9L751 I755L751-L753 HydrophobicContact CD2-CD2 3.75Å; L751-L753 HydrophobicContact CG-CD2 4.16Å; L751-L753 PolarHBondContact O-N 3.24Å; L753-I755 PolarHBondContact O-N 2.91Å
754G59.1Low63.6Low16 Ų1677.1 Ų77.117%0.16541%0.407CS..SBendtrans63.7-125.6-170.400000110.7D752 L756D752-G754 PolarHBondContact OD1-N 2.86Å; G754-L756 PolarHBondContact O-N 2.75Å
755I61.5Low63.6Low41 Ų4172.5 Ų72.521%0.2139%0.389CS..SBendtrans-72111.7-179.1-41.2175.2000110.4E35 L753 D757 V955 R957E35-I755 WeakPolarHBondContact OE2-CD1 3.36Å; E35-I755 WeakPolarHBondContact OE2-CG1 3.45Å; L753-I755 PolarHBondContact O-N 2.91Å; I755-D757 PolarHBondContact O-N 2.99Å; I755-D757 VanDerWaalsContact O-N 3.14Å; I755-V955 HydrophobicContact CG2-CG1 4.3Å; I755-R957 VanDerWaalsContact CD1-NH1 3.31Å; I755-R957 HydrophobicContact CG2-CB 3.5Å; I755-R957 VanDerWaalsContact CG2-CB 3.5Å
756L67.2Low64.2Low51 Ų5176.3 Ų76.327%0.26741%0.406SS..EExtended strand (participates in β ladder)trans-78.697.4168.4-179.561.5000110G754 L758 Q954 V955 V956 R957G754-L756 PolarHBondContact O-N 2.75Å; L756-L758 HydrophobicContact CD2-CD2 3.97Å; L756-L758 HydrophobicContact CG-CD2 4.03Å; L756-L758 HydrophobicContact CG-CG 4.48Å; L756-L758 PolarHBondContact O-N 2.85Å; L756-L758 VanDerWaalsContact O-N 3.09Å; L756-Q954 HydrophobicContact CB-CG 4.27Å; L756-V955 PolarHBondContact N-O 2.88Å; L756-V956 HydrophobicContact CB-CG2 3.98Å; L756-V956 HydrophobicContact CD2-CG2 4.12Å; L756-V956 HydrophobicContact CG-CG2 4.31Å; L756-V956 WeakPolarHBondContact O-CA 3.44Å; L756-R957 PolarHBondContact O-N 2.88Å; L756-R957 VanDerWaalsContact O-N 3.08Å
757D68.8Low65.3Low62 Ų6273 Ų7333%0.33239%0.393SS..EExtended strand (participates in β ladder)trans-70.396.9170.4-86.7-51.8000111.2I755 T760 R957I755-D757 PolarHBondContact O-N 2.99Å; I755-D757 VanDerWaalsContact O-N 3.14Å; D757-T760 WeakPolarHBondContact CB-OG1 3.44Å; D757-T760 PolarHBondContact O-OG1 2.83Å; D757-R957 CarbonylContact C-O 3.55Å; D757-R957 WeakPolarHBondContact CA-O 3.38Å; D757-R957 WeakPolarHBondContact OD1-CB 3.45Å; D757-R957 WeakPolarHBondContact OD1-CG 3.42Å; D757-R957 IonicContact OD1-CZ 3.97Å; D757-R957 IonicContact OD1-NE 2.61Å; D757-R957 PolarHBondContact OD1-NE 3.01Å; D757-R957 IonicContact OD1-NH2 2.74Å; D757-R957 PolarHBondContact OD1-NH2 3.19Å; D757-R957 IonicContact OD2-CZ 2.8Å; D757-R957 IonicContact OD2-NE 2.7Å; D757-R957 IonicContact OD2-NH2 2.92Å; D757-R957 PolarHBondContact OD2-NH2 3.39Å
758L70.2Confident66.3Low13 Ų1367.8 Ų67.87%0.06838%0.384CS..EExtended strand (participates in β ladder)trans-73.7139.2171.6-64.5-178.8000110.6L756 L765 Y925 V956 R957 L958L756-L758 HydrophobicContact CD2-CD2 3.97Å; L756-L758 HydrophobicContact CG-CD2 4.03Å; L756-L758 HydrophobicContact CG-CG 4.48Å; L756-L758 PolarHBondContact O-N 2.85Å; L756-L758 VanDerWaalsContact O-N 3.09Å; L758-L765 HydrophobicContact CB-CD1 3.73Å; L758-L765 WeakPolarHBondContact O-CD1 3.48Å; L758-Y925 HydrophobicContact CD1-CD1 4.21Å; L758-Y925 HydrophobicContact CD1-CD2 3.66Å; L758-Y925 HydrophobicContact CD1-CE2 3.99Å; L758-Y925 HydrophobicContact CD1-CG 3.75Å; L758-Y925 HydrophobicContact CD2-CD2 4.42Å; L758-Y925 HydrophobicContact CD2-CE1 4.11Å; L758-Y925 HydrophobicContact CD2-CE2 3.92Å; L758-V956 HydrophobicContact CD1-CG1 3.52Å; L758-V956 HydrophobicContact CD1-CG2 4.33Å; L758-V956 HydrophobicContact CG-CG1 3.8Å; L758-V956 HydrophobicContact CG-CG2 4.39Å; L758-R957 PolarHBondContact N-O 3.28Å; L758-L958 HydrophobicContact CB-CB 4.05Å
759G63Low67.3Low20 Ų2067.9 Ų67.921%0.20638%0.378CS..THydrogen-bonded Turntrans101.2-2617700000114.1S761 G762 Q763G759-S761 PolarHBondContact O-N 3.33Å; G759-G762 PolarHBondContact O-N 2.77Å; G759-Q763 WeakPolarHBondContact CA-O 3.14Å; G759-Q763 PolarHBondContact O-N 2.84Å; G759-Q763 VanDerWaalsContact O-N 3.15Å
760T56.1Low68.9Low74 Ų7463.9 Ų63.945%0.45436%0.359SS..THydrogen-bonded Turntrans-61.9-11.3-175.1-460000114.8D757 G762D757-T760 WeakPolarHBondContact CB-OG1 3.44Å; D757-T760 PolarHBondContact O-OG1 2.83Å; T760-G762 VanDerWaalsContact C-N 3.31Å
761S52.4Low70.3Confident94 Ų9459 Ų5966%0.65734%0.343SS*.THydrogen-bonded Turntrans-8814.1171.4-42.80000114G759 Q763G759-S761 PolarHBondContact O-N 3.33Å; S761-Q763 VanDerWaalsContact C-N 3.3Å
762G55Low71.8Confident72 Ų7259.5 Ų59.574%0.74235%0.352SS*.THydrogen-bonded Turntrans74.218.3-167.900000113.7G759 T760 N764G759-G762 PolarHBondContact O-N 2.77Å; T760-G762 VanDerWaalsContact C-N 3.31Å; G762-N764 PolarHBondContact O-N 3.09Å
763Q65.4Low73.3Confident45 Ų4557.2 Ų57.221%0.2134%0.338CS..  trans-77.7119177.6-78.8176.731.400109.9G759 S761 L765 R793G759-Q763 WeakPolarHBondContact CA-O 3.14Å; G759-Q763 PolarHBondContact O-N 2.84Å; G759-Q763 VanDerWaalsContact O-N 3.15Å; S761-Q763 VanDerWaalsContact C-N 3.3Å; Q763-L765 HydrophobicContact CB-CD2 4.43Å; Q763-L765 PolarHBondContact O-N 3.08Å; Q763-R793 HydrophobicContact CG-CG 4.34Å
764N72.3Confident74.5Confident92 Ų9257.1 Ų57.149%0.49234%0.338SS..EExtended strand (participates in β ladder)trans-69.6111.5175.9-99.1-29.1000109.8G762 A791 E792G762-N764 PolarHBondContact O-N 3.09Å; N764-A791 WeakPolarHBondContact O-CA 3.33Å; N764-E792 HydrophobicContact CB-CB 4.27Å; N764-E792 PolarHBondContact O-N 2.73Å
765L80.9Confident75.3Confident3 Ų357 Ų572%0.01633%0.334CS..EExtended strand (participates in β ladder)trans-102.8136.1-178.9-58.6-171.3000112L758 Q763 V789 A791 L958 K961L758-L765 HydrophobicContact CB-CD1 3.73Å; L758-L765 WeakPolarHBondContact O-CD1 3.48Å; Q763-L765 HydrophobicContact CB-CD2 4.43Å; Q763-L765 PolarHBondContact O-N 3.08Å; L765-V789 HydrophobicContact CB-CG1 4.12Å; L765-V789 HydrophobicContact CD2-CG1 4.45Å; L765-A791 HydrophobicContact CD2-CB 3.45Å; L765-A791 VanDerWaalsContact CD2-CB 3.45Å; L765-L958 HydrophobicContact CD1-CB 3.77Å; L765-L958 HydrophobicContact CD1-CD1 4.44Å; L765-K961 WeakPolarHBondContact O-CG 3.31Å; L765-K961 PolarHBondContact O-N 3.14Å
766E84.8Confident75.5Confident86 Ų8662.8 Ų62.840%0.40235%0.353SS..EExtended strand (participates in β ladder)trans-138.7135.8-177.2-169.9174.5130.900109.9A768 V789 T790 K961E766-A768 PolarHBondContact O-N 2.87Å; E766-V789 CarbonylContact O-C 3.56Å; E766-V789 WeakPolarHBondContact O-CA 3.48Å; E766-T790 PolarHBondContact N-O 2.97Å; E766-T790 PolarHBondContact O-N 2.71Å; E766-T790 PolarHBondContact O-OG1 3.06Å; E766-K961 HydrophobicContact CB-CD 4.36Å; E766-K961 IonicContact OE2-NZ 2.71Å; E766-K961 PolarHBondContact OE2-NZ 2.75Å
767I86.8Confident75.3Confident39 Ų3961.2 Ų61.220%0.234%0.344CS..EExtended strand (participates in β ladder)trans-8991.8-177.5-56.2163.3000108.7W769 T770 K788 V789 K964 I966I767-W769 VanDerWaalsContact C-N 3.3Å; I767-W769 PolarHBondContact O-N 2.9Å; I767-T770 WeakPolarHBondContact CG2-OG1 3.25Å; I767-K788 CarbonylContact C-O 3.56Å; I767-V789 HydrophobicContact CG1-CG2 4.38Å; I767-K964 HydrophobicContact CD1-CB 4.43Å; I767-I966 HydrophobicContact CD1-CD1 3.62Å; I767-I966 HydrophobicContact CG1-CD1 4.25Å
768A87.6Confident74.9Confident49 Ų4962.8 Ų62.841%0.40535%0.352SS..EExtended strand (participates in β ladder)trans-64.5-29.7-176.600000114E766 K788 T790E766-A768 PolarHBondContact O-N 2.87Å; A768-K788 HydrophobicContact CB-CD 4.3Å; A768-K788 HydrophobicContact CB-CG 4.33Å; A768-K788 PolarHBondContact N-O 3.15Å; A768-T790 HydrophobicContact CB-CG2 4.07Å
769W91.9Very high74.4Confident83 Ų8367.8 Ų67.831%0.31439%0.389SS..EExtended strand (participates in β ladder)trans-164.3164.7162.150.6-105.6000111.6I767 K771 L786 H787 K788 Y926 L980I767-W769 VanDerWaalsContact C-N 3.3Å; I767-W769 PolarHBondContact O-N 2.9Å; W769-K771 HydrophobicContact CE3-CB 4.48Å; W769-K771 HydrophobicContact CE3-CD 4.32Å; W769-K771 HydrophobicContact CE3-CG 3.93Å; W769-K771 HydrophobicContact CH2-CD 4.41Å; W769-K771 HydrophobicContact CZ3-CB 4.27Å; W769-K771 HydrophobicContact CZ3-CD 3.95Å; W769-K771 HydrophobicContact CZ3-CG 3.94Å; W769-L786 HydrophobicContact CH2-CD2 4.16Å; W769-L786 HydrophobicContact CH2-CG 4.4Å; W769-L786 HydrophobicContact CZ3-CB 4.49Å; W769-L786 HydrophobicContact CZ3-CD2 4.34Å; W769-L786 HydrophobicContact CZ3-CG 4.21Å; W769-L786 WeakPolarHBondContact CZ3-O 3.47Å; W769-H787 WeakPolarHBondContact O-CA 3.37Å; W769-K788 HydrophobicContact CD2-CB 3.61Å; W769-K788 VanDerWaalsContact CE2-CB 3.46Å; W769-K788 HydrophobicContact CE3-CB 4.07Å; W769-K788 HydrophobicContact CG-CB 4.01Å; W769-K788 HydrophobicContact CH2-CB 4.25Å; W769-K788 HydrophobicContact CZ2-CB 3.82Å; W769-K788 HydrophobicContact CZ2-CD 4.28Å; W769-K788 HydrophobicContact CZ3-CB 4.37Å; W769-K788 PolarHBondContact N-O 2.71Å; W769-K788 PolarHBondContact O-N 3.14Å; W769-Y926 HydrophobicContact CH2-CD1 4.46Å; W769-Y926 HydrophobicContact CZ2-CD1 4.49Å; W769-Y926 HydrophobicContact CZ2-CE1 4.2Å; W769-L980 HydrophobicContact CH2-CD1 4.46Å
770T91.3Very high74.5Confident64 Ų6472 Ų7239%0.39340%0.403SS..EExtended strand (participates in β ladder)trans-130.5138.7167.9-60.60000108.8I767 H785 L786 H787I767-T770 WeakPolarHBondContact CG2-OG1 3.25Å; T770-H785 HydrophobicContact CG2-CB 3.99Å; T770-L786 WeakPolarHBondContact CA-O 3.43Å; T770-H787 VanDerWaalsContact CG2-ND1 3.31Å; T770-H787 WeakPolarHBondContact CG2-ND1 3.31Å; T770-H787 PolarHBondContact OG1-ND1 3.41Å
771K91.1Very high75.1Confident97 Ų9772.3 Ų72.342%0.42241%0.408SS..EExtended strand (participates in β ladder)trans-119.9122.4169-73.6179.5171.3-168.20108.8W769 F773 H785 L786 L980W769-K771 HydrophobicContact CE3-CB 4.48Å; W769-K771 HydrophobicContact CE3-CD 4.32Å; W769-K771 HydrophobicContact CE3-CG 3.93Å; W769-K771 HydrophobicContact CH2-CD 4.41Å; W769-K771 HydrophobicContact CZ3-CB 4.27Å; W769-K771 HydrophobicContact CZ3-CD 3.95Å; W769-K771 HydrophobicContact CZ3-CG 3.94Å; K771-F773 HydrophobicContact CB-CE2 3.84Å; K771-F773 HydrophobicContact CB-CZ 4.05Å; K771-F773 HydrophobicContact CD-CZ 4.47Å; K771-H785 CarbonylContact O-C 3.46Å; K771-H785 WeakPolarHBondContact O-CA 3.47Å; K771-L786 PolarHBondContact N-O 2.85Å; K771-L786 PolarHBondContact O-N 2.86Å; K771-L980 HydrophobicContact CD-CD2 3.62Å
772S89.5Confident76.2Confident66 Ų6668.8 Ų68.846%0.46238%0.382SS..EExtended strand (participates in β ladder)trans-94147.2175.2-54.10000110.5V784 H785S772-V784 CarbonylContact C-O 3.49Å; S772-V784 WeakPolarHBondContact CA-O 3.36Å; S772-H785 PolarHBondContact OG-ND1 2.97Å
773F88.1Confident77.6Confident31 Ų3169.5 Ų69.514%0.13637%0.367CS..EExtended strand (participates in β ladder)trans-136.7130.7174.8-56-88.8000108K771 V784 L786 L980 L983K771-F773 HydrophobicContact CB-CE2 3.84Å; K771-F773 HydrophobicContact CB-CZ 4.05Å; K771-F773 HydrophobicContact CD-CZ 4.47Å; F773-V784 PolarHBondContact N-O 3.35Å; F773-V784 PolarHBondContact O-N 2.95Å; F773-L786 HydrophobicContact CE2-CB 4.37Å; F773-L980 HydrophobicContact CE2-CD2 4.32Å; F773-L980 HydrophobicContact CZ-CD2 3.81Å; F773-L983 HydrophobicContact CB-CB 4.45Å; F773-L983 HydrophobicContact CD1-CB 3.73Å; F773-L983 WeakPolarHBondContact CD1-O 3.39Å; F773-L983 HydrophobicContact CD2-CB 3.87Å; F773-L983 HydrophobicContact CD2-CD1 3.86Å; F773-L983 HydrophobicContact CD2-CG 4.35Å; F773-L983 HydrophobicContact CE1-CB 3.79Å; F773-L983 HydrophobicContact CE2-CB 3.94Å; F773-L983 HydrophobicContact CE2-CD1 3.81Å; F773-L983 HydrophobicContact CG-CB 3.76Å; F773-L983 HydrophobicContact CZ-CB 3.89Å; F773-L983 HydrophobicContact CZ-CD1 4.44Å
774D81.7Confident78.6Confident101 Ų10167.4 Ų67.454%0.5436%0.357SS..EExtended strand (participates in β ladder)trans-81.6136.6175.9-60.1-63.3000110.1Q783D774-Q783 WeakPolarHBondContact OD1-CG 3.36Å; D774-Q783 PolarHBondContact OD1-NE2 3.03Å
775T74.8Confident79.5Confident15 Ų1565.2 Ų65.29%0.09234%0.343CS..EExtended strand (participates in β ladder)trans-134.7146.8-179.569.10000109.5T782 V784 N934 V935T775-T782 CarbonylContact C-O 3.56Å; T775-T782 WeakPolarHBondContact CA-O 3.35Å; T775-T782 PolarHBondContact N-O 3.11Å; T775-T782 PolarHBondContact O-N 3.22Å; T775-T782 PolarHBondContact O-OG1 3.18Å; T775-T782 PolarHBondContact OG1-O 2.85Å; T775-T782 PolarHBondContact OG1-OG1 2.96Å; T775-V784 HydrophobicContact CG2-CB 4.3Å; T775-V784 HydrophobicContact CG2-CG2 3.76Å; T775-N934 PolarHBondContact OG1-ND2 3.48Å; T775-V935 HydrophobicContact CG2-CG1 3.78Å
776W66.9Low80Confident162 Ų16265 Ų6561%0.61434%0.343SS*.EExtended strand (participates in β ladder)trans-110.9140.1-177.1-48.986000109.8E780 P987W776-E780 WeakPolarHBondContact CA-O 3.32Å; W776-P987 VanDerWaalsContact CD1-CG 3.46Å
777F62.3Low80.3Confident17 Ų1761.6 Ų61.68%0.07533%0.326CS..EExtended strand (participates in β ladder)trans-144.3114.7177.8175.5-91.7000108.6G8 M46 S779 E780 N934G8-F777 WeakPolarHBondContact O-CE2 3.48Å; G8-F777 VanDerWaalsContact O-CZ 3.24Å; G8-F777 WeakPolarHBondContact O-CZ 3.39Å; M46-F777 HydrophobicContact CE-CE1 4.4Å; M46-F777 HydrophobicContact SD-CE1 4.37Å; F777-S779 VanDerWaalsContact C-N 3.26Å; F777-S779 PolarHBondContact O-N 3.43Å; F777-S779 VanDerWaalsContact O-N 3.14Å; F777-E780 PolarHBondContact N-O 3.36Å; F777-E780 PolarHBondContact O-N 2.74Å; F777-N934 WeakPolarHBondContact CD2-OD1 3.44Å
778L60.9Low80.6Confident95 Ų9561.7 Ų61.750%0.49733%0.325SS..THydrogen-bonded Turntrans44.349.4177.4-60.2176.6000113.6E780L778-E780 PolarHBondContact O-N 2.76Å
779S58.7Low80.6Confident119 Ų11959.3 Ų59.383%0.83231%0.306SS*.THydrogen-bonded Turntrans74.2-5.5-176.275.20000118.5F777F777-S779 VanDerWaalsContact C-N 3.26Å; F777-S779 PolarHBondContact O-N 3.43Å; F777-S779 VanDerWaalsContact O-N 3.14Å
780E65Low80.4Confident107 Ų10756.7 Ų56.750%0.530%0.299SS..EExtended strand (participates in β ladder)trans-91.4136.8171.5-67-169.1164.400112.8W776 F777 L778W776-E780 WeakPolarHBondContact CA-O 3.32Å; F777-E780 PolarHBondContact N-O 3.36Å; F777-E780 PolarHBondContact O-N 2.74Å; L778-E780 PolarHBondContact O-N 2.76Å
781S70.1Confident80.1Confident81 Ų8153.6 Ų53.657%0.56628%0.28SS*.EExtended strand (participates in β ladder)trans-85.1121.3171.659.80000110.8
782T74.6Confident79.6Confident20 Ų2051.6 Ų51.612%0.12327%0.272CS..EExtended strand (participates in β ladder)trans-132.6142.9-177.654.10000110.6R44 T775 N934R44-T782 HydrophobicContact CG-CG2 4.05Å; T775-T782 CarbonylContact C-O 3.56Å; T775-T782 WeakPolarHBondContact CA-O 3.35Å; T775-T782 PolarHBondContact N-O 3.11Å; T775-T782 PolarHBondContact O-N 3.22Å; T775-T782 PolarHBondContact O-OG1 3.18Å; T775-T782 PolarHBondContact OG1-O 2.85Å; T775-T782 PolarHBondContact OG1-OG1 2.96Å; T782-N934 PolarHBondContact OG1-ND2 3.17Å
783Q84.2Confident79.2Confident88 Ų8852.6 Ų52.641%0.41127%0.266SS..EExtended strand (participates in β ladder)trans-99.2147.2-173.2-67-166.1-24.600113.4D774 H785 G930 S931D774-Q783 WeakPolarHBondContact OD1-CG 3.36Å; D774-Q783 PolarHBondContact OD1-NE2 3.03Å; Q783-H785 PolarHBondContact OE1-CE1 3.06Å; Q783-G930 CarbonylContact O-C 3.52Å; Q783-G930 VanDerWaalsContact O-CA 3.32Å; Q783-G930 WeakPolarHBondContact O-CA 3.19Å; Q783-S931 PolarHBondContact O-N 3.18Å
784V87.8Confident78.8Confident0 Ų051.7 Ų51.70%027%0.266CS..EExtended strand (participates in β ladder)trans-119.2133170.1174.50000108.3S772 F773 T775 L928 S929 S931 V935 L983S772-V784 CarbonylContact C-O 3.49Å; S772-V784 WeakPolarHBondContact CA-O 3.36Å; F773-V784 PolarHBondContact N-O 3.35Å; F773-V784 PolarHBondContact O-N 2.95Å; T775-V784 HydrophobicContact CG2-CB 4.3Å; T775-V784 HydrophobicContact CG2-CG2 3.76Å; V784-L928 HydrophobicContact CG1-CD1 3.44Å; V784-L928 VanDerWaalsContact CG1-CD1 3.44Å; V784-L928 HydrophobicContact CG1-CG 4Å; V784-S929 WeakPolarHBondContact CA-O 3.35Å; V784-S931 VanDerWaalsContact CG2-O 3.31Å; V784-S931 WeakPolarHBondContact CG2-O 3.39Å; V784-V935 HydrophobicContact CG1-CG2 4.18Å; V784-V935 HydrophobicContact CG2-CG1 4.27Å; V784-V935 HydrophobicContact CG2-CG2 4.11Å; V784-L983 HydrophobicContact CG1-CD2 4.22Å
785H90.1Very high79.1Confident46 Ų4648 Ų4821%0.21325%0.246CC..EExtended strand (participates in β ladder)trans-122.6119.1-176.9-47.3-77.4000111.2T770 K771 S772 Q783 L928 S929T770-H785 HydrophobicContact CG2-CB 3.99Å; K771-H785 CarbonylContact O-C 3.46Å; K771-H785 WeakPolarHBondContact O-CA 3.47Å; S772-H785 PolarHBondContact OG-ND1 2.97Å; Q783-H785 PolarHBondContact OE1-CE1 3.06Å; H785-L928 CarbonylContact O-C 3.54Å; H785-L928 WeakPolarHBondContact O-CA 3.32Å; H785-S929 PolarHBondContact N-O 3.25Å; H785-S929 PolarHBondContact O-N 3.16Å
786L92.4Very high79.8Confident0 Ų049.4 Ų49.40%026%0.255CS..EExtended strand (participates in β ladder)trans-90.7113.8167.1-172.765.8000109.3W769 T770 K771 F773 L928 I971 V976 L980W769-L786 HydrophobicContact CH2-CD2 4.16Å; W769-L786 HydrophobicContact CH2-CG 4.4Å; W769-L786 HydrophobicContact CZ3-CB 4.49Å; W769-L786 HydrophobicContact CZ3-CD2 4.34Å; W769-L786 HydrophobicContact CZ3-CG 4.21Å; W769-L786 WeakPolarHBondContact CZ3-O 3.47Å; T770-L786 WeakPolarHBondContact CA-O 3.43Å; K771-L786 PolarHBondContact N-O 2.85Å; K771-L786 PolarHBondContact O-N 2.86Å; F773-L786 HydrophobicContact CE2-CB 4.37Å; L786-L928 HydrophobicContact CB-CD1 4.08Å; L786-L928 HydrophobicContact CD1-CB 4.12Å; L786-L928 HydrophobicContact CD1-CD1 4.09Å; L786-I971 HydrophobicContact CD1-CG1 4.08Å; L786-V976 HydrophobicContact CD2-CG1 4.4Å; L786-L980 HydrophobicContact CD2-CD2 3.66Å; L786-L980 HydrophobicContact CD2-CG 3.82Å
787H91.3Very high81.1Confident13 Ų1343.3 Ų43.36%0.0623%0.232CC..EExtended strand (participates in β ladder)trans-97.8136.4175.2-50.2-82000110.3W769 T770 V789 Y926 V927 S929W769-H787 WeakPolarHBondContact O-CA 3.37Å; T770-H787 VanDerWaalsContact CG2-ND1 3.31Å; T770-H787 WeakPolarHBondContact CG2-ND1 3.31Å; T770-H787 PolarHBondContact OG1-ND1 3.41Å; H787-V789 HydrophobicContact CB-CG2 4.16Å; H787-Y926 CarbonylContact O-C 3.59Å; H787-Y926 WeakPolarHBondContact O-CA 3.38Å; H787-V927 PolarHBondContact CD2-O 3.11Å; H787-V927 PolarHBondContact N-O 2.98Å; H787-V927 PolarHBondContact O-N 3.36Å; H787-S929 PolarHBondContact NE2-OG 3.2Å
788K92Very high82.4Confident41 Ų4146.5 Ų46.518%0.17826%0.257CS..EExtended strand (participates in β ladder)trans-96.7116.9160.2-175.9-176.9-178.3-168.90108.6I767 A768 W769 N924 Y926I767-K788 CarbonylContact C-O 3.56Å; A768-K788 HydrophobicContact CB-CD 4.3Å; A768-K788 HydrophobicContact CB-CG 4.33Å; A768-K788 PolarHBondContact N-O 3.15Å; W769-K788 HydrophobicContact CD2-CB 3.61Å; W769-K788 VanDerWaalsContact CE2-CB 3.46Å; W769-K788 HydrophobicContact CE3-CB 4.07Å; W769-K788 HydrophobicContact CG-CB 4.01Å; W769-K788 HydrophobicContact CH2-CB 4.25Å; W769-K788 HydrophobicContact CZ2-CB 3.82Å; W769-K788 HydrophobicContact CZ2-CD 4.28Å; W769-K788 HydrophobicContact CZ3-CB 4.37Å; W769-K788 PolarHBondContact N-O 2.71Å; W769-K788 PolarHBondContact O-N 3.14Å; K788-N924 WeakPolarHBondContact CE-OD1 3.49Å; K788-N924 PolarHBondContact NZ-OD1 3.12Å; K788-Y926 HydrophobicContact CB-CD1 4.15Å; K788-Y926 HydrophobicContact CB-CE1 4.09Å; K788-Y926 HydrophobicContact CD-CE1 3.83Å; K788-Y926 HydrophobicContact CG-CD1 4.08Å; K788-Y926 HydrophobicContact CG-CE1 3.66Å
789V88.7Confident83.7Confident0 Ų043 Ų430%024%0.242CC..EExtended strand (participates in β ladder)trans-112118.9179.6-176.70000109.4L765 E766 I767 H787 Y925 L958L765-V789 HydrophobicContact CB-CG1 4.12Å; L765-V789 HydrophobicContact CD2-CG1 4.45Å; E766-V789 CarbonylContact O-C 3.56Å; E766-V789 WeakPolarHBondContact O-CA 3.48Å; I767-V789 HydrophobicContact CG1-CG2 4.38Å; H787-V789 HydrophobicContact CB-CG2 4.16Å; V789-Y925 PolarHBondContact N-O 3.37Å; V789-Y925 PolarHBondContact O-N 3.37Å; V789-L958 HydrophobicContact CG1-CD1 4.44Å; V789-L958 HydrophobicContact CG2-CD1 4.34Å; V789-L958 HydrophobicContact CG2-CD2 3.88Å
790T87.8Confident85.2Confident27 Ų2737.4 Ų37.417%0.16620%0.202CC..EExtended strand (participates in β ladder)trans-91.4127.8174.138.10000110.1E766 A768 R923E766-T790 PolarHBondContact N-O 2.97Å; E766-T790 PolarHBondContact O-N 2.71Å; E766-T790 PolarHBondContact O-OG1 3.06Å; A768-T790 HydrophobicContact CB-CG2 4.07Å; T790-R923 WeakPolarHBondContact CA-O 3.27Å
791A84.2Confident86.5Confident0 Ų034.8 Ų34.80%019%0.191CC..EExtended strand (participates in β ladder)trans-109.8121.9175.800000110.4N764 L765 T922 R923 Y925N764-A791 WeakPolarHBondContact O-CA 3.33Å; L765-A791 HydrophobicContact CD2-CB 3.45Å; L765-A791 VanDerWaalsContact CD2-CB 3.45Å; A791-T922 WeakPolarHBondContact O-CA 3.47Å; A791-R923 PolarHBondContact N-O 3.49Å; A791-R923 PolarHBondContact O-N 2.89Å; A791-Y925 HydrophobicContact CB-CD2 4.02Å; A791-Y925 HydrophobicContact CB-CE2 3.56Å
792E81.5Confident87.4Confident55 Ų5536.2 Ų36.226%0.25719%0.188SC..EExtended strand (participates in β ladder)trans-85130.9170.9-62.4-165.191.600110.6N764 R921 T922 K961N764-E792 HydrophobicContact CB-CB 4.27Å; N764-E792 PolarHBondContact O-N 2.73Å; E792-R921 IonicContact OE1-CZ 3.04Å; E792-R921 IonicContact OE1-NE 3.75Å; E792-R921 IonicContact OE1-NH2 2.92Å; E792-R921 PolarHBondContact OE1-NH2 3Å; E792-T922 HydrophobicContact CG-CG2 4.48Å; E792-K961 IonicContact OE2-NZ 3.78Å; E792-K961 PolarHBondContact OE2-NZ 2.85Å
793R79.4Confident88Confident86 Ų8636.8 Ų36.833%0.32519%0.19SC..  trans-117.1-31.8-177.8-66.3173.7164.3-166.2-8.7113.6Q763 T857 G858 R921 R923 Y925Q763-R793 HydrophobicContact CG-CG 4.34Å; R793-T857 CarbonylContact O-C 3.59Å; R793-T857 VanDerWaalsContact O-C 3.24Å; R793-G858 WeakPolarHBondContact O-CA 3.38Å; R793-G858 PolarHBondContact O-N 3.22Å; R793-G858 VanDerWaalsContact O-N 3.16Å; R793-R921 PolarHBondContact N-O 2.8Å; R793-R923 VanDerWaalsContact NH2-CD 3.32Å; R793-Y925 PolarHBondContact NH2-OH 2.78Å; R793-Y925 VanDerWaalsContact NH2-OH 3.09Å
794G80.8Confident88.2Confident13 Ų1335.7 Ų35.713%0.13418%0.183CC..SBendtrans-75.4154.5-177.900000113.8P855 N856G794-P855 WeakPolarHBondContact CA-O 3.47Å; G794-N856 WeakPolarHBondContact CA-O 3.07Å; G794-N856 PolarHBondContact N-O 3.13Å
795L87.3Confident88.3Confident23 Ų2340.6 Ų40.612%0.1221%0.213CC..PPolyproline II helixtrans-99.9119.9-176.7-173.569.6000109.7A799 A800 I803 Y853 P855 W886 F890L795-A799 HydrophobicContact CD1-CB 3.54Å; L795-A799 HydrophobicContact CG-CB 4.24Å; L795-A800 HydrophobicContact CD2-CB 3.78Å; L795-A800 HydrophobicContact CG-CB 4.11Å; L795-I803 HydrophobicContact CD1-CD1 4.15Å; L795-I803 HydrophobicContact CD2-CD1 4.06Å; L795-Y853 HydrophobicContact CD2-CD1 4.15Å; L795-Y853 HydrophobicContact CD2-CG 4.2Å; L795-P855 PolarHBondContact N-O 3.23Å; L795-W886 HydrophobicContact CB-CZ2 4.22Å; L795-W886 HydrophobicContact CD2-CZ2 4.11Å; L795-W886 HydrophobicContact CG-CZ2 4.45Å; L795-W886 PolarHBondContact O-NE1 3.01Å; L795-F890 WeakPolarHBondContact O-CD2 3.47Å
796P90.5Very high88Confident44 Ų4444.5 Ų44.529%0.28623%0.231SC..PPolyproline II helixtrans-66.6159.817526.4-32.8000111.3S798 A799 A800 F890P796-S798 VanDerWaalsContact C-N 3.29Å; P796-S798 PolarHBondContact O-N 3.46Å; P796-A799 HydrophobicContact CG-CB 3.82Å; P796-A799 PolarHBondContact O-N 3.07Å; P796-A800 PolarHBondContact O-N 3.17Å; P796-F890 VanDerWaalsContact CA-CE2 3.45Å; P796-F890 HydrophobicContact CB-CE1 4.07Å; P796-F890 HydrophobicContact CB-CE2 3.84Å; P796-F890 HydrophobicContact CB-CZ 3.59Å; P796-F890 HydrophobicContact CG-CE2 4.44Å; P796-F890 HydrophobicContact CG-CZ 4.34Å; P796-F890 VanDerWaalsContact N-CE2 3.29Å
797W92.6Very high87.6Confident34 Ų3448.1 Ų48.113%0.12925%0.248CC..Hα-helixtrans-55.4-42.2-179.2-178.6-119.1000113A799 A800 M801 F814 P879 C882 Q883 W886W797-A799 PolarHBondContact O-N 3.05Å; W797-A800 PolarHBondContact O-N 3.24Å; W797-M801 HydrophobicContact CH2-CE 3.86Å; W797-M801 HydrophobicContact CZ2-CE 3.25Å; W797-M801 WeakPolarHBondContact O-CB 3.4Å; W797-M801 PolarHBondContact O-N 3.33Å; W797-F814 HydrophobicContact CE3-CE1 4.32Å; W797-F814 HydrophobicContact CH2-CD1 4.26Å; W797-F814 AromaticContact CH2-CE1 3.92Å; W797-F814 HydrophobicContact CH2-CE1 3.92Å; W797-F814 HydrophobicContact CH2-CE2 4.18Å; W797-F814 AromaticContact CH2-CZ 3.87Å; W797-F814 HydrophobicContact CH2-CZ 3.87Å; W797-F814 AromaticContact CZ3-CD1 3.94Å; W797-F814 HydrophobicContact CZ3-CD1 3.94Å; W797-F814 AromaticContact CZ3-CE1 3.42Å; W797-F814 HydrophobicContact CZ3-CE1 3.42Å; W797-F814 VanDerWaalsContact CZ3-CE1 3.42Å; W797-F814 HydrophobicContact CZ3-CE2 4.46Å; W797-F814 AromaticContact CZ3-CZ 3.72Å; W797-F814 HydrophobicContact CZ3-CZ 3.72Å; W797-P879 WeakPolarHBondContact CH2-O 3.49Å; W797-C882 HydrophobicContact CH2-CB 4.07Å; W797-C882 HydrophobicContact CZ3-CB 4.15Å; W797-Q883 HydrophobicContact CD2-CB 4.19Å; W797-Q883 HydrophobicContact CD2-CG 4.15Å; W797-Q883 HydrophobicContact CG-CG 4.17Å; W797-Q883 HydrophobicContact CH2-CB 4.26Å; W797-Q883 HydrophobicContact CZ2-CB 3.61Å; W797-Q883 HydrophobicContact CZ2-CG 4.26Å; W797-Q883 VanDerWaalsContact NE1-CD 3.31Å; W797-W886 HydrophobicContact CE3-CB 3.7Å; W797-W886 AromaticContact CE3-CD1 3.91Å; W797-W886 HydrophobicContact CE3-CD2 4.06Å; W797-W886 AromaticContact CE3-CG 3.61Å; W797-W886 HydrophobicContact CE3-CG 3.61Å; W797-W886 HydrophobicContact CZ3-CB 4Å; W797-W886 HydrophobicContact CZ3-CD2 4.23Å; W797-W886 HydrophobicContact CZ3-CE3 4.34Å; W797-W886 HydrophobicContact CZ3-CG 4.09Å
798S91.2Very high87Confident85 Ų8555.2 Ų55.259%0.59429%0.286SS*.Hα-helixtrans-58.8-47.617747.40000112.9P796 M801 E802P796-S798 VanDerWaalsContact C-N 3.29Å; P796-S798 PolarHBondContact O-N 3.46Å; S798-M801 PolarHBondContact O-N 3.37Å; S798-E802 WeakPolarHBondContact O-CB 3.36Å; S798-E802 PolarHBondContact O-N 3.07Å
799A87.8Confident86.4Confident22 Ų2254.2 Ų54.218%0.18229%0.288CS..Hα-helixtrans-73.3-26.7178.900000112.8L795 P796 W797 I803L795-A799 HydrophobicContact CD1-CB 3.54Å; L795-A799 HydrophobicContact CG-CB 4.24Å; P796-A799 HydrophobicContact CG-CB 3.82Å; P796-A799 PolarHBondContact O-N 3.07Å; W797-A799 PolarHBondContact O-N 3.05Å; A799-I803 WeakPolarHBondContact O-CG1 3.32Å; A799-I803 PolarHBondContact O-N 3.49Å; A799-I803 VanDerWaalsContact O-N 3.09Å
800A90.5Very high86.1Confident0 Ų060.4 Ų60.40%033%0.325CS..Hα-helixtrans-68.1-41.2169.500000111.4L795 P796 W797 Y804 F814 L830 W886L795-A800 HydrophobicContact CD2-CB 3.78Å; L795-A800 HydrophobicContact CG-CB 4.11Å; P796-A800 PolarHBondContact O-N 3.17Å; W797-A800 PolarHBondContact O-N 3.24Å; A800-Y804 WeakPolarHBondContact O-CB 3.31Å; A800-Y804 PolarHBondContact O-N 3.26Å; A800-F814 HydrophobicContact CB-CE1 4.08Å; A800-F814 HydrophobicContact CB-CZ 4.08Å; A800-L830 HydrophobicContact CB-CD2 4.23Å; A800-L830 VanDerWaalsContact O-CD2 3.29Å; A800-L830 WeakPolarHBondContact O-CD2 3.27Å; A800-W886 HydrophobicContact CB-CH2 4.15Å; A800-W886 HydrophobicContact CB-CZ2 3.64Å
801M90.9Very high86.1Confident53 Ų5360.9 Ų60.926%0.26133%0.327SS..Hα-helixtrans-66.1-41173.6-166.961.962.400111.6W797 S798 Y804 T805 F814 P879W797-M801 HydrophobicContact CH2-CE 3.86Å; W797-M801 HydrophobicContact CZ2-CE 3.25Å; W797-M801 WeakPolarHBondContact O-CB 3.4Å; W797-M801 PolarHBondContact O-N 3.33Å; S798-M801 PolarHBondContact O-N 3.37Å; M801-Y804 WeakPolarHBondContact O-CB 3.3Å; M801-Y804 PolarHBondContact O-N 3.41Å; M801-Y804 HydrophobicContact SD-CD1 3.81Å; M801-T805 WeakPolarHBondContact O-CG2 3.33Å; M801-T805 PolarHBondContact O-N 3.4Å; M801-T805 PolarHBondContact O-OG1 3.23Å; M801-F814 HydrophobicContact CE-CE2 4.39Å; M801-P879 HydrophobicContact CE-CB 3.94Å
802E89.1Confident86.3Confident111 Ų11161.1 Ų61.152%0.51933%0.328SS..Hα-helixtrans-58.3-50.7176.1-174.4-176.6172.500111.4S798 Y804 T805 Q806S798-E802 WeakPolarHBondContact O-CB 3.36Å; S798-E802 PolarHBondContact O-N 3.07Å; E802-Y804 VanDerWaalsContact C-N 3.3Å; E802-Y804 PolarHBondContact O-N 3.28Å; E802-T805 WeakPolarHBondContact CA-OG1 3.36Å; E802-T805 PolarHBondContact O-N 3.28Å; E802-T805 VanDerWaalsContact O-N 3.16Å; E802-T805 PolarHBondContact O-OG1 2.91Å; E802-Q806 WeakPolarHBondContact O-CG 3.4Å; E802-Q806 PolarHBondContact O-N 3.13Å; E802-Q806 VanDerWaalsContact O-N 3.11Å; E802-Q806 PolarHBondContact OE1-NE2 2.88Å
803I87.7Confident86.8Confident31 Ų3158.5 Ų58.516%0.15932%0.316CS..Hα-helixtrans-59.8-41.3175-69.7172.7000111L795 A799 Q806 H807 L830 V832 Y853L795-I803 HydrophobicContact CD1-CD1 4.15Å; L795-I803 HydrophobicContact CD2-CD1 4.06Å; A799-I803 WeakPolarHBondContact O-CG1 3.32Å; A799-I803 PolarHBondContact O-N 3.49Å; A799-I803 VanDerWaalsContact O-N 3.09Å; I803-Q806 PolarHBondContact O-N 2.91Å; I803-H807 PolarHBondContact O-CD2 2.89Å; I803-L830 HydrophobicContact CB-CD2 4.23Å; I803-L830 HydrophobicContact CG2-CD2 4.02Å; I803-V832 HydrophobicContact CG2-CG2 4.07Å; I803-Y853 HydrophobicContact CD1-CD1 4.26Å; I803-Y853 HydrophobicContact CD1-CE1 3.93Å; I803-Y853 HydrophobicContact CG2-CD2 4.48Å; I803-Y853 HydrophobicContact CG2-CE2 3.93Å
804Y89.3Confident87.5Confident66 Ų6654.5 Ų54.526%0.25930%0.301SS..Hα-helixtrans-61.6-42.3175.2174-111.6000112.3A800 M801 E802 Q806 H807 F814 L830 P879A800-Y804 WeakPolarHBondContact O-CB 3.31Å; A800-Y804 PolarHBondContact O-N 3.26Å; M801-Y804 WeakPolarHBondContact O-CB 3.3Å; M801-Y804 PolarHBondContact O-N 3.41Å; M801-Y804 HydrophobicContact SD-CD1 3.81Å; E802-Y804 VanDerWaalsContact C-N 3.3Å; E802-Y804 PolarHBondContact O-N 3.28Å; Y804-Q806 PolarHBondContact O-N 3.23Å; Y804-H807 PolarHBondContact O-N 3.45Å; Y804-H807 VanDerWaalsContact O-O 3.1Å; Y804-F814 HydrophobicContact CD1-CE2 4.17Å; Y804-F814 HydrophobicContact CD2-CE2 4.33Å; Y804-F814 HydrophobicContact CG-CD2 4.46Å; Y804-F814 AromaticContact CG-CE2 3.86Å; Y804-F814 HydrophobicContact CG-CE2 3.86Å; Y804-L830 HydrophobicContact CD2-CD1 4.35Å; Y804-P879 HydrophobicContact CD1-CG 4.34Å; Y804-P879 HydrophobicContact CE1-CB 4.47Å; Y804-P879 HydrophobicContact CE1-CG 3.6Å
805T88.7Confident88.1Confident103 Ų10354 Ų5463%0.63230%0.295SS*.Hα-helixtrans-71.2-14.2177.354.30000114.7M801 E802M801-T805 WeakPolarHBondContact O-CG2 3.33Å; M801-T805 PolarHBondContact O-N 3.4Å; M801-T805 PolarHBondContact O-OG1 3.23Å; E802-T805 WeakPolarHBondContact CA-OG1 3.36Å; E802-T805 PolarHBondContact O-N 3.28Å; E802-T805 VanDerWaalsContact O-N 3.16Å; E802-T805 PolarHBondContact O-OG1 2.91Å
806Q84.8Confident88.2Confident127 Ų12755 Ų5559%0.59330%0.301SS*.THydrogen-bonded Turntrans-89.8-1.3176.2-71.4173.111.700113.2E802 I803 Y804E802-Q806 WeakPolarHBondContact O-CG 3.4Å; E802-Q806 PolarHBondContact O-N 3.13Å; E802-Q806 VanDerWaalsContact O-N 3.11Å; E802-Q806 PolarHBondContact OE1-NE2 2.88Å; I803-Q806 PolarHBondContact O-N 2.91Å; Y804-Q806 PolarHBondContact O-N 3.23Å
807H82.4Confident88Confident76 Ų7654.6 Ų54.635%0.35230%0.298SS..  trans-134.5131.1-172-81.6-84.8000112.4I803 Y804 V832I803-H807 PolarHBondContact O-CD2 2.89Å; Y804-H807 PolarHBondContact O-N 3.45Å; Y804-H807 VanDerWaalsContact O-O 3.1Å; H807-V832 HydrophobicContact CB-CG1 3.98Å; H807-V832 VanDerWaalsContact CE1-CG1 3.41Å; H807-V832 WeakPolarHBondContact CE1-CG1 3.15Å; H807-V832 WeakPolarHBondContact ND1-CG1 3.49Å
808D79.4Confident87.5Confident162 Ų16255.6 Ų55.687%0.86631%0.31SS*.  trans-11513.8-169.663.1-20.5000113.9
809G79.7Confident86.5Confident21 Ų2156.2 Ų56.222%0.21632%0.32CS..  trans-65.8139.5-178.100000113.4N811 D812G809-N811 PolarHBondContact O-N 3.39Å; G809-N811 VanDerWaalsContact O-N 3.08Å; G809-D812 WeakPolarHBondContact CA-OD2 3.31Å; G809-D812 PolarHBondContact N-OD2 3.48Å; G809-D812 WeakPolarHBondContact O-CB 3.18Å; G809-D812 PolarHBondContact O-N 3.15Å
810V83.3Confident85.4Confident129 Ų12959.4 Ų59.478%0.78234%0.337SS*.THydrogen-bonded Turntrans-54-34.4-175-178.80000114
811N86.4Confident84Confident37 Ų3762.5 Ų62.520%0.19836%0.359CS..THydrogen-bonded Turntrans-105.45.9176.3-49.3-59.5000113.3G809 Y815 Y850 L866G809-N811 PolarHBondContact O-N 3.39Å; G809-N811 VanDerWaalsContact O-N 3.08Å; N811-Y815 WeakPolarHBondContact O-CE2 3.45Å; N811-Y815 PolarHBondContact O-OH 3.33Å; N811-Y815 VanDerWaalsContact O-OH 3.13Å; N811-Y850 HydrophobicContact CB-CE1 4.04Å; N811-Y850 PolarHBondContact ND2-OH 2.58Å; N811-Y850 VanDerWaalsContact ND2-OH 3.15Å; N811-L866 HydrophobicContact CB-CD1 4.1Å; N811-L866 WeakPolarHBondContact ND2-CD2 3.49Å
812D89.1Confident82.4Confident5 Ų567.4 Ų67.43%0.02739%0.386CS..  trans-69.1149.9178.7-66.21.8000109.4G809 A831 Y833 Y850 R875G809-D812 WeakPolarHBondContact CA-OD2 3.31Å; G809-D812 PolarHBondContact N-OD2 3.48Å; G809-D812 WeakPolarHBondContact O-CB 3.18Å; G809-D812 PolarHBondContact O-N 3.15Å; D812-A831 WeakPolarHBondContact CA-O 3.24Å; D812-Y833 VanDerWaalsContact OD1-CB 3.29Å; D812-Y833 WeakPolarHBondContact OD1-CB 3.27Å; D812-Y833 PolarHBondContact OD1-N 3.16Å; D812-Y833 PolarHBondContact OD2-N 3Å; D812-Y850 VanDerWaalsContact OD1-CE1 3.27Å; D812-Y850 WeakPolarHBondContact OD1-CE1 3.23Å; D812-R875 PolarHBondContact O-NE 2.75Å; D812-R875 PolarHBondContact O-NH2 3.4Å
813G91.9Very high80.9Confident1 Ų169.9 Ų69.91%0.0140%0.403CS..EExtended strand (participates in β ladder)trans135.4-161.9178.100000114.8Y815 L830 A831G813-Y815 WeakPolarHBondContact O-CD2 3.46Å; G813-L830 WeakPolarHBondContact O-CA 3.31Å; G813-L830 WeakPolarHBondContact O-CD1 3.22Å; G813-A831 PolarHBondContact N-O 3.07Å; G813-A831 PolarHBondContact O-N 3.47Å
814F93.9Very high79.8Confident2 Ų274.4 Ų74.41%0.00942%0.421CS..EExtended strand (participates in β ladder)trans-93.4145.6-173-66.9-88.6000112.3W797 A800 M801 Y804 V829 L830 V876 P879 C882 W886W797-F814 HydrophobicContact CE3-CE1 4.32Å; W797-F814 HydrophobicContact CH2-CD1 4.26Å; W797-F814 AromaticContact CH2-CE1 3.92Å; W797-F814 HydrophobicContact CH2-CE1 3.92Å; W797-F814 HydrophobicContact CH2-CE2 4.18Å; W797-F814 AromaticContact CH2-CZ 3.87Å; W797-F814 HydrophobicContact CH2-CZ 3.87Å; W797-F814 AromaticContact CZ3-CD1 3.94Å; W797-F814 HydrophobicContact CZ3-CD1 3.94Å; W797-F814 AromaticContact CZ3-CE1 3.42Å; W797-F814 HydrophobicContact CZ3-CE1 3.42Å; W797-F814 VanDerWaalsContact CZ3-CE1 3.42Å; W797-F814 HydrophobicContact CZ3-CE2 4.46Å; W797-F814 AromaticContact CZ3-CZ 3.72Å; W797-F814 HydrophobicContact CZ3-CZ 3.72Å; A800-F814 HydrophobicContact CB-CE1 4.08Å; A800-F814 HydrophobicContact CB-CZ 4.08Å; M801-F814 HydrophobicContact CE-CE2 4.39Å; Y804-F814 HydrophobicContact CD1-CE2 4.17Å; Y804-F814 HydrophobicContact CD2-CE2 4.33Å; Y804-F814 HydrophobicContact CG-CD2 4.46Å; Y804-F814 AromaticContact CG-CE2 3.86Å; Y804-F814 HydrophobicContact CG-CE2 3.86Å; F814-V829 WeakPolarHBondContact CA-O 3.36Å; F814-L830 HydrophobicContact CD1-CB 4.04Å; F814-L830 HydrophobicContact CD2-CD1 4.46Å; F814-L830 HydrophobicContact CE1-CB 3.86Å; F814-L830 HydrophobicContact CE1-CD1 4.36Å; F814-L830 HydrophobicContact CE1-CD2 4.38Å; F814-L830 HydrophobicContact CE1-CG 4.42Å; F814-L830 HydrophobicContact CE2-CD1 4.27Å; F814-L830 HydrophobicContact CZ-CB 4.47Å; F814-L830 HydrophobicContact CZ-CD1 4.22Å; F814-L830 HydrophobicContact CZ-CD2 4.28Å; F814-V876 PolarHBondContact O-N 3.11Å; F814-P879 HydrophobicContact CD2-CB 3.75Å; F814-P879 HydrophobicContact CD2-CG 4.27Å; F814-P879 HydrophobicContact CE2-CB 4.02Å; F814-C882 HydrophobicContact CB-CB 4.12Å; F814-C882 HydrophobicContact CD1-CB 4.21Å; F814-C882 HydrophobicContact CG-CB 4.31Å; F814-W886 HydrophobicContact CD1-CE3 4.05Å; F814-W886 AromaticContact CD1-CZ3 3.93Å; F814-W886 HydrophobicContact CD1-CZ3 3.93Å; F814-W886 AromaticContact CE1-CE3 3.92Å; F814-W886 HydrophobicContact CE1-CE3 3.92Å; F814-W886 HydrophobicContact CE1-CH2 4.38Å; F814-W886 AromaticContact CE1-CZ3 3.8Å; F814-W886 HydrophobicContact CE1-CZ3 3.8Å
815Y92.8Very high79Confident2 Ų273.2 Ų73.21%0.00842%0.419CS..EExtended strand (participates in β ladder)trans-139.4132.7-167.2-86.3-97.1000110.3N811 G813 P828 V829 A831 L869 Y873 T874 R875N811-Y815 WeakPolarHBondContact O-CE2 3.45Å; N811-Y815 PolarHBondContact O-OH 3.33Å; N811-Y815 VanDerWaalsContact O-OH 3.13Å; G813-Y815 WeakPolarHBondContact O-CD2 3.46Å; Y815-P828 WeakPolarHBondContact O-CA 3.43Å; Y815-V829 PolarHBondContact N-O 3.09Å; Y815-V829 PolarHBondContact O-N 2.8Å; Y815-A831 HydrophobicContact CD2-CB 3.77Å; Y815-A831 HydrophobicContact CE2-CB 3.72Å; Y815-L869 HydrophobicContact CD1-CD1 4.22Å; Y815-L869 HydrophobicContact CD1-CD2 4.44Å; Y815-L869 HydrophobicContact CD1-CG 4.18Å; Y815-L869 HydrophobicContact CE1-CD1 4.42Å; Y815-L869 HydrophobicContact CE1-CD2 3.92Å; Y815-L869 HydrophobicContact CE1-CG 3.88Å; Y815-L869 HydrophobicContact CE2-CD2 4.08Å; Y815-L869 HydrophobicContact CG-CD1 4.47Å; Y815-Y873 WeakPolarHBondContact CD1-O 3.33Å; Y815-T874 WeakPolarHBondContact CA-O 3.39Å; Y815-R875 HydrophobicContact CD1-CB 4.07Å; Y815-R875 HydrophobicContact CD2-CG 4.35Å; Y815-R875 HydrophobicContact CE1-CB 3.66Å; Y815-R875 HydrophobicContact CE1-CG 4.35Å; Y815-R875 HydrophobicContact CE2-CB 4.11Å; Y815-R875 HydrophobicContact CE2-CG 3.88Å; Y815-R875 HydrophobicContact CG-CB 4.49Å
816L90.3Very high78.7Confident45 Ų4570.3 Ų70.324%0.23640%0.401CS..EExtended strand (participates in β ladder)trans-111.6144.9176-70.7170.3000110.4S818 V826 P828 Y873 T874 V876L816-S818 PolarHBondContact O-N 2.85Å; L816-V826 HydrophobicContact CD2-CG1 3.88Å; L816-P828 HydrophobicContact CD2-CB 3.9Å; L816-Y873 CarbonylContact O-C 3.44Å; L816-Y873 WeakPolarHBondContact O-CA 3.17Å; L816-T874 PolarHBondContact N-O 2.85Å; L816-T874 PolarHBondContact O-N 3.49Å; L816-V876 HydrophobicContact CB-CG2 4.26Å; L816-V876 HydrophobicContact CD1-CG2 3.7Å; L816-V876 HydrophobicContact CG-CG2 3.7Å
817P86.3Confident78.7Confident34 Ų3465.3 Ų65.322%0.22138%0.378CS..EExtended strand (participates in β ladder)trans-55.4129.4178.3-23.932.1000112.6A819 V826 I827 R872 Y873P817-A819 PolarHBondContact O-N 3.15Å; P817-V826 HydrophobicContact CG-CG1 4.12Å; P817-I827 WeakPolarHBondContact CD-O 3.35Å; P817-R872 WeakPolarHBondContact CA-O 3.45Å; P817-Y873 HydrophobicContact CB-CD1 4.43Å; P817-Y873 HydrophobicContact CB-CE1 4.47Å; P817-Y873 HydrophobicContact CG-CD1 4.13Å; P817-Y873 HydrophobicContact CG-CE1 3.91Å
818S81.3Confident79.1Confident56 Ų5661.7 Ų61.739%0.39236%0.361SS..SBendtrans-65.9-26.1-174.4-450000113.3L816 R872 Y873 T874L816-S818 PolarHBondContact O-N 2.85Å; S818-R872 PolarHBondContact N-O 2.66Å; S818-R872 VanDerWaalsContact OG-C 3.24Å; S818-R872 PolarHBondContact OG-O 2.74Å; S818-Y873 VanDerWaalsContact OG-C 3.23Å; S818-Y873 VanDerWaalsContact OG-CA 3.26Å; S818-Y873 WeakPolarHBondContact OG-CA 3.13Å; S818-Y873 PolarHBondContact OG-N 2.88Å; S818-Y873 VanDerWaalsContact OG-N 3.09Å; S818-T874 PolarHBondContact OG-N 2.9Å; S818-T874 PolarHBondContact OG-OG1 3.37Å
819A71.3Confident79.8Confident97 Ų9754 Ų5480%0.80232%0.32SS*.SBendtrans-106.991.7177.600000111P817P817-A819 PolarHBondContact O-N 3.15Å
820V64.5Low80.4Confident90 Ų9053 Ų5355%0.54531%0.31SS..  trans-88.8126.5174.5-177.20000109.9V826V820-V826 HydrophobicContact CG1-CG2 4.07Å
821S60.2Low80.8Confident64 Ų6446.8 Ų46.845%0.44827%0.273SS..  trans-106.1124.2171.8179.50000108.6N823 K824S821-N823 PolarHBondContact O-N 2.96Å; S821-K824 PolarHBondContact O-N 3.2Å
822N58.4Low81Confident157 Ų15745.1 Ų45.184%0.8426%0.264SS*.THydrogen-bonded Turntrans-52.1-23-164.6-657000116.2
823N56.2Low80.9Confident162 Ų16248.5 Ų48.587%0.86628%0.277SS*.THydrogen-bonded Turntrans-109.921.7-179.3-76.4-5.8000114.4S821S821-N823 PolarHBondContact O-N 2.96Å
824K65.9Low80.3Confident126 Ų12649.9 Ų49.955%0.54829%0.285SS..SBendtrans-124.7141.6179.9-69179.6-177.9167.90112.7S821 V826S821-K824 PolarHBondContact O-N 3.2Å; K824-V826 PolarHBondContact O-N 3.3Å
825I72.5Confident79Confident41 Ų4158.3 Ų58.321%0.2132%0.321CS..  trans-68.2124.7-179.6-52.8-174.2000110.1I889 L901I825-I889 HydrophobicContact CG2-CD1 3.55Å; I825-L901 HydrophobicContact CD1-CB 4.41Å; I825-L901 HydrophobicContact CD1-CD2 4.26Å; I825-L901 VanDerWaalsContact CD1-O 3.29Å; I825-L901 WeakPolarHBondContact CD1-O 3.5Å; I825-L901 WeakPolarHBondContact CG1-O 3.34Å
826V81.4Confident77.3Confident43 Ų4361.1 Ų61.126%0.26134%0.339SS..  trans-80.1136.4179.1-171.80000110.4L816 P817 V820 K824L816-V826 HydrophobicContact CD2-CG1 3.88Å; P817-V826 HydrophobicContact CG-CG1 4.12Å; V820-V826 HydrophobicContact CG1-CG2 4.07Å; K824-V826 PolarHBondContact O-N 3.3Å
827I86.1Confident75.2Confident21 Ų2169.3 Ų69.311%0.10837%0.367CS..  trans-116.3104.8179.9-58.3160.6000108.7P817 P855 I889 I898 L902P817-I827 WeakPolarHBondContact CD-O 3.35Å; I827-P855 HydrophobicContact CG2-CG 4.49Å; I827-I889 HydrophobicContact CG1-CD1 3.85Å; I827-I889 HydrophobicContact CG1-CG1 4.29Å; I827-I898 HydrophobicContact CD1-CD1 3.72Å; I827-L902 HydrophobicContact CD1-CD1 4.48Å; I827-L902 HydrophobicContact CD1-CD2 3.91Å; I827-L902 HydrophobicContact CD1-CG 4.44Å
828P90.9Very high73Confident0 Ų071.7 Ų71.70%038%0.381CS..  trans-70.2157.6174.430.8-35.9000111.3Y815 L816 P855 C882 P885 W886Y815-P828 WeakPolarHBondContact O-CA 3.43Å; L816-P828 HydrophobicContact CD2-CB 3.9Å; P828-P855 HydrophobicContact CG-CG 4.47Å; P828-P855 VanDerWaalsContact O-CD 3.3Å; P828-P855 WeakPolarHBondContact O-CD 3.21Å; P828-C882 HydrophobicContact CB-CB 4.24Å; P828-P885 HydrophobicContact CG-CB 4.05Å; P828-W886 HydrophobicContact CB-CE3 4Å; P828-W886 HydrophobicContact CG-CB 3.9Å; P828-W886 HydrophobicContact CG-CD2 4.34Å; P828-W886 HydrophobicContact CG-CE3 3.74Å; P828-W886 HydrophobicContact CG-CG 4.47Å
829V92.5Very high71Confident0 Ų073.3 Ų73.30%038%0.383CS..EExtended strand (participates in β ladder)trans-133.2153.1170.5-52.90000110.4F814 Y815 I852 Y853 R854 Y873F814-V829 WeakPolarHBondContact CA-O 3.36Å; Y815-V829 PolarHBondContact N-O 3.09Å; Y815-V829 PolarHBondContact O-N 2.8Å; V829-I852 HydrophobicContact CB-CG2 3.76Å; V829-I852 HydrophobicContact CG1-CG2 4.15Å; V829-I852 HydrophobicContact CG2-CG2 4.11Å; V829-Y853 WeakPolarHBondContact CA-O 3.47Å; V829-R854 HydrophobicContact CG1-CG 4.05Å; V829-Y873 HydrophobicContact CB-CE1 4.42Å; V829-Y873 HydrophobicContact CG1-CD1 4.46Å; V829-Y873 HydrophobicContact CG1-CE1 3.68Å; V829-Y873 HydrophobicContact CG2-CD1 3.81Å; V829-Y873 HydrophobicContact CG2-CE1 3.84Å; V829-Y873 HydrophobicContact CG2-CG 4.19Å
830L92.9Very high69.3Low0 Ų072.7 Ų72.70%036%0.36CS..EExtended strand (participates in β ladder)trans-106.7124.4170.7163.563.3000107.1A800 I803 Y804 G813 F814 V832 I852 Y853 W886A800-L830 HydrophobicContact CB-CD2 4.23Å; A800-L830 VanDerWaalsContact O-CD2 3.29Å; A800-L830 WeakPolarHBondContact O-CD2 3.27Å; I803-L830 HydrophobicContact CB-CD2 4.23Å; I803-L830 HydrophobicContact CG2-CD2 4.02Å; Y804-L830 HydrophobicContact CD2-CD1 4.35Å; G813-L830 WeakPolarHBondContact O-CA 3.31Å; G813-L830 WeakPolarHBondContact O-CD1 3.22Å; F814-L830 HydrophobicContact CD1-CB 4.04Å; F814-L830 HydrophobicContact CD2-CD1 4.46Å; F814-L830 HydrophobicContact CE1-CB 3.86Å; F814-L830 HydrophobicContact CE1-CD1 4.36Å; F814-L830 HydrophobicContact CE1-CD2 4.38Å; F814-L830 HydrophobicContact CE1-CG 4.42Å; F814-L830 HydrophobicContact CE2-CD1 4.27Å; F814-L830 HydrophobicContact CZ-CB 4.47Å; F814-L830 HydrophobicContact CZ-CD1 4.22Å; F814-L830 HydrophobicContact CZ-CD2 4.28Å; L830-V832 HydrophobicContact CD1-CG2 4.07Å; L830-V832 HydrophobicContact CG-CG2 4.13Å; L830-I852 CarbonylContact O-C 3.53Å; L830-I852 WeakPolarHBondContact O-CA 3.49Å; L830-Y853 HydrophobicContact CD2-CD2 4.19Å; L830-Y853 HydrophobicContact CG-CD2 4.11Å; L830-Y853 PolarHBondContact N-O 2.98Å; L830-Y853 PolarHBondContact O-N 2.94Å; L830-W886 HydrophobicContact CB-CH2 3.86Å; L830-W886 HydrophobicContact CB-CZ3 3.99Å
831A92.6Very high68.2Low0 Ų070 Ų700%035%0.345CS..EExtended strand (participates in β ladder)trans-109.6135.7176.800000110D812 G813 Y815 Y850 I852 L869D812-A831 WeakPolarHBondContact CA-O 3.24Å; G813-A831 PolarHBondContact N-O 3.07Å; G813-A831 PolarHBondContact O-N 3.47Å; Y815-A831 HydrophobicContact CD2-CB 3.77Å; Y815-A831 HydrophobicContact CE2-CB 3.72Å; A831-Y850 HydrophobicContact CB-CD1 4.31Å; A831-I852 HydrophobicContact CB-CD1 3.65Å; A831-L869 HydrophobicContact CB-CD1 4.48Å; A831-L869 HydrophobicContact CB-CD2 3.52Å
832V90.5Very high67.1Low2 Ų272 Ų721%0.01236%0.355CS..EExtended strand (participates in β ladder)trans-137.8129.2-177.2174.70000109.3I803 H807 L830 Y850 R851 Y853I803-V832 HydrophobicContact CG2-CG2 4.07Å; H807-V832 HydrophobicContact CB-CG1 3.98Å; H807-V832 VanDerWaalsContact CE1-CG1 3.41Å; H807-V832 WeakPolarHBondContact CE1-CG1 3.15Å; H807-V832 WeakPolarHBondContact ND1-CG1 3.49Å; L830-V832 HydrophobicContact CD1-CG2 4.07Å; L830-V832 HydrophobicContact CG-CG2 4.13Å; V832-Y850 CarbonylContact O-C 3.25Å; V832-Y850 WeakPolarHBondContact O-CA 3.48Å; V832-R851 PolarHBondContact N-O 2.94Å; V832-R851 PolarHBondContact O-N 3.15Å; V832-Y853 HydrophobicContact CB-CE2 4.14Å; V832-Y853 HydrophobicContact CG2-CD2 4.33Å; V832-Y853 HydrophobicContact CG2-CE2 3.9Å
833Y87.2Confident66.6Low75 Ų7571.3 Ų71.329%0.29435%0.351SS..EExtended strand (participates in β ladder)trans-62.4134.5179.3177.8-117.1000111.8D812 K835 K848 L849 Y850D812-Y833 VanDerWaalsContact OD1-CB 3.29Å; D812-Y833 WeakPolarHBondContact OD1-CB 3.27Å; D812-Y833 PolarHBondContact OD1-N 3.16Å; D812-Y833 PolarHBondContact OD2-N 3Å; Y833-K835 HydrophobicContact CE1-CB 3.86Å; Y833-K835 HydrophobicContact CE1-CG 4.38Å; Y833-K848 HydrophobicContact CD2-CB 4.39Å; Y833-K848 HydrophobicContact CE2-CB 4.01Å; Y833-K848 HydrophobicContact CE2-CG 4.15Å; Y833-L849 WeakPolarHBondContact CD2-O 3.36Å; Y833-Y850 HydrophobicContact CD2-CE2 4.2Å
834V79.2Confident66.2Low30 Ų3067.8 Ų67.818%0.18233%0.328CS..  trans-114.6110.9172.2179.70000108.7T836 L849 R851V834-T836 PolarHBondContact O-N 2.86Å; V834-L849 PolarHBondContact N-O 3.48Å; V834-R851 HydrophobicContact CG2-CB 3.45Å; V834-R851 VanDerWaalsContact CG2-CB 3.45Å
835K66.3Low65.5Low179 Ų17967 Ų6778%0.77834%0.336SS*.  trans-70.781170.6-165.7172.2-174173.30110.1Y833Y833-K835 HydrophobicContact CE1-CB 3.86Å; Y833-K835 HydrophobicContact CE1-CG 4.38Å
836T55.9Low64.9Low61 Ų6171.1 Ų71.137%0.37436%0.359SS..  trans-55.3138.8166.721.40000109.9V834 T838 L849V834-T836 PolarHBondContact O-N 2.86Å; T836-T838 PolarHBondContact O-N 2.89Å; T836-L849 HydrophobicContact CG2-CD1 4.15Å
837R46.9Very low64.2Low217 Ų21774.1 Ų74.182%0.81937%0.373SS*.  trans-73.277.5162-76-178.268.4-175.40.9108.6M839 R1093R837-M839 PolarHBondContact O-N 2.83Å; R837-R1093 PolarHBondContact O-NH2 2.81Å
838T40.9Very low63.7Low85 Ų8578.1 Ų78.152%0.52139%0.389SS..  trans-50.6122.1154.633.30000106.6T836T836-T838 PolarHBondContact O-N 2.89Å
839M38.3Very low63.5Low90 Ų9080.1 Ų80.144%0.44340%0.4SS..  58.272.752.9-51.9-179.5130.700107.7R837 S841 L1092 R1093R837-M839 PolarHBondContact O-N 2.83Å; M839-S841 PolarHBondContact O-N 3.22Å; M839-L1092 WeakPolarHBondContact CB-O 3.16Å; M839-R1093 HydrophobicContact CB-CB 3.84Å; M839-R1093 HydrophobicContact CB-CG 4.12Å; M839-R1093 HydrophobicContact CE-CB 3.95Å; M839-R1093 HydrophobicContact CE-CG 4.3Å; M839-R1093 HydrophobicContact CG-CB 3.7Å; M839-R1093 HydrophobicContact CG-CG 3.74Å; M839-R1093 HydrophobicContact SD-CB 4.46Å
840R36.3Very low63.3Low83 Ų8380.4 Ų80.431%0.31340%0.401SS..BIsolated β-bridgetrans-53.6115.6170.7-83.8-178.5172.3174.6-10.4107.4L1092 E1094 T1095 T1097R840-L1092 VanDerWaalsContact O-CB 3.24Å; R840-L1092 WeakPolarHBondContact O-CB 3.24Å; R840-E1094 HydrophobicContact CB-CB 3.73Å; R840-E1094 WeakPolarHBondContact CD-OE2 3.46Å; R840-E1094 IonicContact CZ-OE2 3.62Å; R840-E1094 IonicContact NE-OE2 3.68Å; R840-E1094 IonicContact NH1-OE1 3.4Å; R840-E1094 IonicContact NH1-OE2 2.72Å; R840-E1094 PolarHBondContact NH1-OE2 2.94Å; R840-E1094 PolarHBondContact O-N 2.88Å; R840-T1095 WeakPolarHBondContact CD-O 3.29Å; R840-T1095 PolarHBondContact NE-O 3.18Å; R840-T1097 PolarHBondContact NH1-OG1 2.88Å; R840-T1097 PolarHBondContact NH2-O 2.89Å
841S41Very low63.1Low33 Ų3385 Ų8523%0.23142%0.418CS..  trans-129.7108.2162-164.20000108.2M839 T1091 L1092M839-S841 PolarHBondContact O-N 3.22Å; S841-T1091 PolarHBondContact OG-O 3.47Å; S841-L1092 PolarHBondContact OG-N 2.93Å; S841-L1092 VanDerWaalsContact OG-N 3.12Å
842T37.7Very low63Low107 Ų10785 Ų8566%0.65642%0.418SS*.THydrogen-bonded Turntrans-60.5143.2160.844.60000108.3
843N46.6Very low63Low142 Ų14286.2 Ų86.276%0.75942%0.423SS*.THydrogen-bonded Turntrans78.717.5173.3-47-25.2000119
844K48.9Very low63.1Low88 Ų8885 Ų8538%0.38342%0.417SS..SBendtrans-129142.6159.6-90.9-176.2175.4164.90112.7F1089 G1090K844-F1089 WeakPolarHBondContact CE-O 3.34Å; K844-F1089 PolarHBondContact NZ-O 3.14Å; K844-G1090 WeakPolarHBondContact CD-O 3.18Å; K844-G1090 WeakPolarHBondContact CE-O 3.47Å; K844-G1090 VanDerWaalsContact NZ-N 3.16Å; K844-G1090 PolarHBondContact NZ-O 2.83Å
845P50.6Low63.7Low111 Ų11183.5 Ų83.572%0.72141%0.409SS*.  trans-67.8147.8173.429.9-34.6000111L847P845-L847 PolarHBondContact O-N 3.44Å
846D59.2Low64.7Low126 Ų12675.3 Ų75.367%0.67437%0.374SS*.  trans-54.9106.3-177.8-101-35000112.1K848D846-K848 PolarHBondContact O-N 2.86Å
847L67Low65.9Low106 Ų10675 Ų7556%0.55537%0.372SS*.  trans-69.893.8176.9-74.7171.2000110.3P845 L849P845-L847 PolarHBondContact O-N 3.44Å; L847-L849 PolarHBondContact O-N 3.36Å; L847-L849 VanDerWaalsContact O-N 3.09Å
848K77Confident67.7Low106 Ų10664.9 Ų64.946%0.46133%0.334SS..  trans-69.9105.8-179.8-64.9178.5-176.41730110.9Y833 D846 Y850 L866Y833-K848 HydrophobicContact CD2-CB 4.39Å; Y833-K848 HydrophobicContact CE2-CB 4.01Å; Y833-K848 HydrophobicContact CE2-CG 4.15Å; D846-K848 PolarHBondContact O-N 2.86Å; K848-Y850 HydrophobicContact CB-CE2 3.87Å; K848-Y850 WeakPolarHBondContact O-CD2 3.36Å; K848-L866 PolarHBondContact O-N 3.48Å
849L85.7Confident69.6Low41 Ų4165.7 Ų65.722%0.21533%0.334CS..EExtended strand (participates in β ladder)trans-92.5131179.7-70177.7000111.9Y833 V834 T836 L847 P863 E865Y833-L849 WeakPolarHBondContact CD2-O 3.36Å; V834-L849 PolarHBondContact N-O 3.48Å; T836-L849 HydrophobicContact CG2-CD1 4.15Å; L847-L849 PolarHBondContact O-N 3.36Å; L847-L849 VanDerWaalsContact O-N 3.09Å; L849-P863 HydrophobicContact CB-CB 4.16Å; L849-P863 HydrophobicContact CB-CG 4.48Å; L849-P863 HydrophobicContact CD1-CG 4.23Å; L849-P863 HydrophobicContact CD2-CG 4.47Å; L849-E865 HydrophobicContact CD2-CG 3.87Å
850Y88.8Confident71.6Confident6 Ų664.1 Ų64.12%0.02433%0.325CS..EExtended strand (participates in β ladder)trans-114130.2180-72.8-98.2000110.9N811 D812 A831 V832 Y833 K848 P863 I864 L866 L869N811-Y850 HydrophobicContact CB-CE1 4.04Å; N811-Y850 PolarHBondContact ND2-OH 2.58Å; N811-Y850 VanDerWaalsContact ND2-OH 3.15Å; D812-Y850 VanDerWaalsContact OD1-CE1 3.27Å; D812-Y850 WeakPolarHBondContact OD1-CE1 3.23Å; A831-Y850 HydrophobicContact CB-CD1 4.31Å; V832-Y850 CarbonylContact O-C 3.25Å; V832-Y850 WeakPolarHBondContact O-CA 3.48Å; Y833-Y850 HydrophobicContact CD2-CE2 4.2Å; K848-Y850 HydrophobicContact CB-CE2 3.87Å; K848-Y850 WeakPolarHBondContact O-CD2 3.36Å; Y850-P863 CarbonylContact O-C 3.55Å; Y850-P863 VanDerWaalsContact O-CA 3.26Å; Y850-P863 WeakPolarHBondContact O-CA 3.48Å; Y850-P863 WeakPolarHBondContact O-CB 2.86Å; Y850-I864 PolarHBondContact N-O 3.44Å; Y850-I864 PolarHBondContact O-N 3.34Å; Y850-L866 HydrophobicContact CD2-CB 4.19Å; Y850-L866 HydrophobicContact CD2-CD1 4.27Å; Y850-L866 HydrophobicContact CE2-CB 3.89Å; Y850-L866 HydrophobicContact CE2-CD1 3.8Å; Y850-L866 HydrophobicContact CE2-CD2 4.38Å; Y850-L866 HydrophobicContact CE2-CG 4.23Å; Y850-L869 HydrophobicContact CG-CD2 4.36Å
851R88.5Confident73.1Confident97 Ų9765.1 Ų65.137%0.36635%0.352SS..EExtended strand (participates in β ladder)trans-85.4128.6170.6172.3175.2-74.7138.21.7108.8V832 V834 Y853 M859V832-R851 PolarHBondContact N-O 2.94Å; V832-R851 PolarHBondContact O-N 3.15Å; V834-R851 HydrophobicContact CG2-CB 3.45Å; V834-R851 VanDerWaalsContact CG2-CB 3.45Å; R851-Y853 WeakPolarHBondContact CD-OH 3.36Å; R851-Y853 HydrophobicContact CG-CE2 3.97Å; R851-M859 VanDerWaalsContact CD-SD 3.58Å; R851-M859 HydrophobicContact CG-CG 3.94Å; R851-M859 HydrophobicContact CG-SD 4.38Å
852I90.2Very high74.8Confident1 Ų173.1 Ų73.11%0.00538%0.376CS..EExtended strand (participates in β ladder)trans-103.5133.6-175.2-52-55.6000109.9V829 L830 A831 R854 Q860 I864 L869V829-I852 HydrophobicContact CB-CG2 3.76Å; V829-I852 HydrophobicContact CG1-CG2 4.15Å; V829-I852 HydrophobicContact CG2-CG2 4.11Å; L830-I852 CarbonylContact O-C 3.53Å; L830-I852 WeakPolarHBondContact O-CA 3.49Å; A831-I852 HydrophobicContact CB-CD1 3.65Å; I852-R854 HydrophobicContact CG2-CG 4.48Å; I852-Q860 HydrophobicContact CB-CB 4.43Å; I852-Q860 HydrophobicContact CB-CG 4.27Å; I852-Q860 HydrophobicContact CG2-CG 4.48Å; I852-Q860 WeakPolarHBondContact O-CG 3.48Å; I852-Q860 PolarHBondContact O-N 2.98Å; I852-I864 HydrophobicContact CG1-CB 4.35Å; I852-I864 HydrophobicContact CG1-CD1 3.78Å; I852-I864 HydrophobicContact CG1-CG1 3.92Å; I852-L869 HydrophobicContact CD1-CD1 3.96Å; I852-L869 HydrophobicContact CD1-CD2 4.35Å
853Y90.4Very high76.9Confident27 Ų2770.3 Ų70.311%0.10636%0.36CS..EExtended strand (participates in β ladder)trans-114144.4171.1-55.4-94.8000110.1L795 I803 V829 L830 V832 R851 G858 M859L795-Y853 HydrophobicContact CD2-CD1 4.15Å; L795-Y853 HydrophobicContact CD2-CG 4.2Å; I803-Y853 HydrophobicContact CD1-CD1 4.26Å; I803-Y853 HydrophobicContact CD1-CE1 3.93Å; I803-Y853 HydrophobicContact CG2-CD2 4.48Å; I803-Y853 HydrophobicContact CG2-CE2 3.93Å; V829-Y853 WeakPolarHBondContact CA-O 3.47Å; L830-Y853 HydrophobicContact CD2-CD2 4.19Å; L830-Y853 HydrophobicContact CG-CD2 4.11Å; L830-Y853 PolarHBondContact N-O 2.98Å; L830-Y853 PolarHBondContact O-N 2.94Å; V832-Y853 HydrophobicContact CB-CE2 4.14Å; V832-Y853 HydrophobicContact CG2-CD2 4.33Å; V832-Y853 HydrophobicContact CG2-CE2 3.9Å; R851-Y853 WeakPolarHBondContact CD-OH 3.36Å; R851-Y853 HydrophobicContact CG-CE2 3.97Å; Y853-G858 WeakPolarHBondContact CA-O 3.37Å; Y853-M859 HydrophobicContact CD1-CB 3.68Å; Y853-M859 HydrophobicContact CD1-CG 4.15Å; Y853-M859 HydrophobicContact CE1-CB 3.65Å; Y853-M859 HydrophobicContact CE1-CG 3.76Å; Y853-M859 HydrophobicContact CE1-SD 4.28Å
854R90.4Very high78.8Confident48 Ų4864.9 Ų64.918%0.18133%0.331CS..EExtended strand (participates in β ladder)trans-129148.4179.9-55.9-166.8176-127.7-8.9112.3V829 I852 N856 G858 Q860 Y873V829-R854 HydrophobicContact CG1-CG 4.05Å; I852-R854 HydrophobicContact CG2-CG 4.48Å; R854-N856 VanDerWaalsContact C-N 3.27Å; R854-N856 PolarHBondContact O-N 3.17Å; R854-G858 PolarHBondContact N-O 3.2Å; R854-G858 VanDerWaalsContact O-CA 3.32Å; R854-G858 WeakPolarHBondContact O-CA 3.15Å; R854-G858 PolarHBondContact O-N 3.24Å; R854-Q860 HydrophobicContact CG-CG 4.39Å; R854-Q860 VanDerWaalsContact NE-CD 3.26Å; R854-Q860 VanDerWaalsContact NH2-OE1 3.12Å; R854-Y873 PolarHBondContact NH1-OH 3.01Å; R854-Y873 PolarHBondContact NH2-OH 3.22Å
855P90.3Very high80.6Confident0 Ų063 Ų630%032%0.323CS..THydrogen-bonded Turntrans-57.6-34.4176.118.6-31.2000113.9G794 L795 I827 P828 W886 I889 F890G794-P855 WeakPolarHBondContact CA-O 3.47Å; L795-P855 PolarHBondContact N-O 3.23Å; I827-P855 HydrophobicContact CG2-CG 4.49Å; P828-P855 HydrophobicContact CG-CG 4.47Å; P828-P855 VanDerWaalsContact O-CD 3.3Å; P828-P855 WeakPolarHBondContact O-CD 3.21Å; P855-W886 HydrophobicContact CB-CD2 3.95Å; P855-W886 HydrophobicContact CB-CG 3.94Å; P855-W886 HydrophobicContact CB-CZ2 4.34Å; P855-W886 HydrophobicContact CG-CD2 4.15Å; P855-W886 HydrophobicContact CG-CE3 4.47Å; P855-W886 HydrophobicContact CG-CG 4.39Å; P855-I889 HydrophobicContact CB-CB 4.04Å; P855-I889 HydrophobicContact CB-CG2 3.88Å; P855-I889 HydrophobicContact CG-CB 3.76Å; P855-I889 HydrophobicContact CG-CG1 4.5Å; P855-I889 HydrophobicContact CG-CG2 3.53Å; P855-F890 HydrophobicContact CB-CB 4.18Å; P855-F890 WeakPolarHBondContact O-CD2 3.45Å
856N87.2Confident82.3Confident7 Ų759.1 Ų59.14%0.03730%0.296CS..THydrogen-bonded Turntrans-92-43.2-178.667.1-31.7000114.2G794 R854 I889 S893 G919 R921G794-N856 WeakPolarHBondContact CA-O 3.07Å; G794-N856 PolarHBondContact N-O 3.13Å; R854-N856 VanDerWaalsContact C-N 3.27Å; R854-N856 PolarHBondContact O-N 3.17Å; N856-I889 HydrophobicContact CB-CG2 4.14Å; N856-S893 WeakPolarHBondContact CB-OG 3.21Å; N856-G919 PolarHBondContact ND2-O 3.09Å; N856-R921 WeakPolarHBondContact O-CA 3.41Å
857T81.6Confident83.6Confident54 Ų5459.4 Ų59.433%0.33129%0.294SS..THydrogen-bonded Turntrans-102.2-7.3-174.860.90000115.3R793R793-T857 CarbonylContact O-C 3.59Å; R793-T857 VanDerWaalsContact O-C 3.24Å
858G84.3Confident84.6Confident4 Ų458.1 Ų58.14%0.04128%0.284CS..EExtended strand (participates in β ladder)trans67.3-143.6-173.100000111.7R793 Y853 R854 Q860R793-G858 WeakPolarHBondContact O-CA 3.38Å; R793-G858 PolarHBondContact O-N 3.22Å; R793-G858 VanDerWaalsContact O-N 3.16Å; Y853-G858 WeakPolarHBondContact CA-O 3.37Å; R854-G858 PolarHBondContact N-O 3.2Å; R854-G858 VanDerWaalsContact O-CA 3.32Å; R854-G858 WeakPolarHBondContact O-CA 3.15Å; R854-G858 PolarHBondContact O-N 3.24Å; G858-Q860 PolarHBondContact O-N 3.17Å
859M82.1Confident85.1Confident102 Ų10253.1 Ų53.150%0.50226%0.262SS..EExtended strand (participates in β ladder)trans-62.7127-180-174.1-179.864.900112.1R851 Y853R851-M859 VanDerWaalsContact CD-SD 3.58Å; R851-M859 HydrophobicContact CG-CG 3.94Å; R851-M859 HydrophobicContact CG-SD 4.38Å; Y853-M859 HydrophobicContact CD1-CB 3.68Å; Y853-M859 HydrophobicContact CD1-CG 4.15Å; Y853-M859 HydrophobicContact CE1-CB 3.65Å; Y853-M859 HydrophobicContact CE1-CG 3.76Å; Y853-M859 HydrophobicContact CE1-SD 4.28Å
860Q79.5Confident85.2Confident57 Ų5756 Ų5627%0.26627%0.274SS..  trans-82.2133.6170.3-56.4-156.2-98.200110.5I852 R854 G858I852-Q860 HydrophobicContact CB-CB 4.43Å; I852-Q860 HydrophobicContact CB-CG 4.27Å; I852-Q860 HydrophobicContact CG2-CG 4.48Å; I852-Q860 WeakPolarHBondContact O-CG 3.48Å; I852-Q860 PolarHBondContact O-N 2.98Å; R854-Q860 HydrophobicContact CG-CG 4.39Å; R854-Q860 VanDerWaalsContact NE-CD 3.26Å; R854-Q860 VanDerWaalsContact NH2-OE1 3.12Å; G858-Q860 PolarHBondContact O-N 3.17Å
861A67.8Low85.2Confident105 Ų10562.2 Ų62.287%0.86830%0.304SS*.SBendtrans-70.4-32.6-174.900000114.1
862R76.5Confident85Confident200 Ų20063.3 Ų63.376%0.75531%0.308SS*.SBendtrans-92.8123.3175178171.2179.2171.13.5109.4
863P82.9Confident85Confident49 Ų4964.6 Ų64.632%0.31831%0.313SS..  trans-70.9161.517032.2-35.2000111.1L849 Y850L849-P863 HydrophobicContact CB-CB 4.16Å; L849-P863 HydrophobicContact CB-CG 4.48Å; L849-P863 HydrophobicContact CD1-CG 4.23Å; L849-P863 HydrophobicContact CD2-CG 4.47Å; Y850-P863 CarbonylContact O-C 3.55Å; Y850-P863 VanDerWaalsContact O-CA 3.26Å; Y850-P863 WeakPolarHBondContact O-CA 3.48Å; Y850-P863 WeakPolarHBondContact O-CB 2.86Å
864I86.4Confident85Confident28 Ų2867.4 Ų67.414%0.14433%0.333CS..EExtended strand (participates in β ladder)trans-121.6139.5-178.3-52.5-170.2000108.8Y850 I852 K868 L869Y850-I864 PolarHBondContact N-O 3.44Å; Y850-I864 PolarHBondContact O-N 3.34Å; I852-I864 HydrophobicContact CG1-CB 4.35Å; I852-I864 HydrophobicContact CG1-CD1 3.78Å; I852-I864 HydrophobicContact CG1-CG1 3.92Å; I864-K868 HydrophobicContact CG2-CB 3.9Å; I864-L869 HydrophobicContact CG2-CB 4.47Å
865E86.5Confident85Confident47 Ų4770.2 Ų70.222%0.2234%0.343CS..EExtended strand (participates in β ladder)trans-68149.2174-59.7141-106.200111L849 E867 K868 L869L849-E865 HydrophobicContact CD2-CG 3.87Å; E865-E867 PolarHBondContact O-N 2.75Å; E865-K868 CarbonylContact O-C 3.56Å; E865-K868 PolarHBondContact O-N 3.1Å; E865-K868 IonicContact OE1-NZ 3.23Å; E865-K868 PolarHBondContact OE1-NZ 3.43Å; E865-K868 IonicContact OE2-NZ 2.7Å; E865-K868 PolarHBondContact OE2-NZ 3.24Å; E865-L869 PolarHBondContact O-N 3.44Å
866L86.7Confident85Confident30 Ų3071.2 Ų71.216%0.15735%0.35CS..Hα-helixtrans-55.1-45-175.9-176.956.4000113.9N811 K848 Y850 L869 Q870N811-L866 HydrophobicContact CB-CD1 4.1Å; N811-L866 WeakPolarHBondContact ND2-CD2 3.49Å; K848-L866 PolarHBondContact O-N 3.48Å; Y850-L866 HydrophobicContact CD2-CB 4.19Å; Y850-L866 HydrophobicContact CD2-CD1 4.27Å; Y850-L866 HydrophobicContact CE2-CB 3.89Å; Y850-L866 HydrophobicContact CE2-CD1 3.8Å; Y850-L866 HydrophobicContact CE2-CD2 4.38Å; Y850-L866 HydrophobicContact CE2-CG 4.23Å; L866-L869 WeakPolarHBondContact O-CB 3.37Å; L866-L869 PolarHBondContact O-N 2.75Å; L866-L869 VanDerWaalsContact O-N 3.11Å; L866-Q870 HydrophobicContact CD1-CG 4.26Å; L866-Q870 WeakPolarHBondContact O-CG 3.39Å; L866-Q870 PolarHBondContact O-N 2.95Å
867E85.4Confident84.9Confident132 Ų13276.9 Ų76.962%0.61739%0.39SS*.Hα-helixtrans-59.6-52.5178-65.4164.6-17600110.6E865 L869 Q870 E871E865-E867 PolarHBondContact O-N 2.75Å; E867-L869 PolarHBondContact O-N 3.36Å; E867-L869 VanDerWaalsContact O-N 3.07Å; E867-Q870 PolarHBondContact O-N 3.17Å; E867-E871 WeakPolarHBondContact O-CG 2.88Å; E867-E871 PolarHBondContact O-N 3.08Å
868K88Confident85.1Confident80 Ų8077.6 Ų77.635%0.34839%0.392SS..Hα-helixtrans-65.2-10.7176.6-61-171.2177.369.80113.9I864 E865 E871 R872I864-K868 HydrophobicContact CG2-CB 3.9Å; E865-K868 CarbonylContact O-C 3.56Å; E865-K868 PolarHBondContact O-N 3.1Å; E865-K868 IonicContact OE1-NZ 3.23Å; E865-K868 PolarHBondContact OE1-NZ 3.43Å; E865-K868 IonicContact OE2-NZ 2.7Å; E865-K868 PolarHBondContact OE2-NZ 3.24Å; K868-E871 WeakPolarHBondContact CA-OE2 3.36Å; K868-R872 PolarHBondContact O-NE 3.41Å; K868-R872 PolarHBondContact O-NH2 3.22Å
869L88Confident85.3Confident1 Ų178.4 Ų78.41%0.00540%0.396CS..Hα-helixtrans-85.4-50.5167.8174.362.6000110Y815 A831 Y850 I852 I864 E865 L866 E867 E871 R872 Y873Y815-L869 HydrophobicContact CD1-CD1 4.22Å; Y815-L869 HydrophobicContact CD1-CD2 4.44Å; Y815-L869 HydrophobicContact CD1-CG 4.18Å; Y815-L869 HydrophobicContact CE1-CD1 4.42Å; Y815-L869 HydrophobicContact CE1-CD2 3.92Å; Y815-L869 HydrophobicContact CE1-CG 3.88Å; Y815-L869 HydrophobicContact CE2-CD2 4.08Å; Y815-L869 HydrophobicContact CG-CD1 4.47Å; A831-L869 HydrophobicContact CB-CD1 4.48Å; A831-L869 HydrophobicContact CB-CD2 3.52Å; Y850-L869 HydrophobicContact CG-CD2 4.36Å; I852-L869 HydrophobicContact CD1-CD1 3.96Å; I852-L869 HydrophobicContact CD1-CD2 4.35Å; I864-L869 HydrophobicContact CG2-CB 4.47Å; E865-L869 PolarHBondContact O-N 3.44Å; L866-L869 WeakPolarHBondContact O-CB 3.37Å; L866-L869 PolarHBondContact O-N 2.75Å; L866-L869 VanDerWaalsContact O-N 3.11Å; E867-L869 PolarHBondContact O-N 3.36Å; E867-L869 VanDerWaalsContact O-N 3.07Å; L869-E871 PolarHBondContact O-N 2.97Å; L869-R872 PolarHBondContact O-N 3.22Å; L869-R872 VanDerWaalsContact O-N 3.14Å; L869-Y873 HydrophobicContact CD1-CD2 3.96Å; L869-Y873 HydrophobicContact CD1-CG 4.38Å; L869-Y873 PolarHBondContact O-N 3.11Å
870Q88.6Confident85.6Confident101 Ų10176.6 Ų76.647%0.47239%0.394SS..Hα-helixtrans-63.5-37.4-178.5-70.4171.5-44.700113.4L866 E867 R872L866-Q870 HydrophobicContact CD1-CG 4.26Å; L866-Q870 WeakPolarHBondContact O-CG 3.39Å; L866-Q870 PolarHBondContact O-N 2.95Å; E867-Q870 PolarHBondContact O-N 3.17Å; Q870-R872 PolarHBondContact O-N 2.71Å; Q870-R872 VanDerWaalsContact O-N 3.16Å
871E87.9Confident86Confident136 Ų13678.1 Ų78.164%0.63640%0.404SS*.THydrogen-bonded Turntrans-50.9-35.9171.5-76.7172.2172.600113.3E867 K868 L869E867-E871 WeakPolarHBondContact O-CG 2.88Å; E867-E871 PolarHBondContact O-N 3.08Å; K868-E871 WeakPolarHBondContact CA-OE2 3.36Å; L869-E871 PolarHBondContact O-N 2.97Å
872R85.6Confident87Confident121 Ų12173.1 Ų73.146%0.45736%0.362SS..THydrogen-bonded Turntrans-111.8-21.2-168.1-68.1-179.6-68.6-176.2-3.5113.3P817 S818 K868 L869 Q870P817-R872 WeakPolarHBondContact CA-O 3.45Å; S818-R872 PolarHBondContact N-O 2.66Å; S818-R872 VanDerWaalsContact OG-C 3.24Å; S818-R872 PolarHBondContact OG-O 2.74Å; K868-R872 PolarHBondContact O-NE 3.41Å; K868-R872 PolarHBondContact O-NH2 3.22Å; L869-R872 PolarHBondContact O-N 3.22Å; L869-R872 VanDerWaalsContact O-N 3.14Å; Q870-R872 PolarHBondContact O-N 2.71Å; Q870-R872 VanDerWaalsContact O-N 3.16Å
873Y90.2Very high87.7Confident27 Ų2768 Ų6811%0.10635%0.347CS..EExtended strand (participates in β ladder)trans-142.4133.3-177.6-58.8-97.5000112.7Y815 L816 P817 S818 V829 R854 L869Y815-Y873 WeakPolarHBondContact CD1-O 3.33Å; L816-Y873 CarbonylContact O-C 3.44Å; L816-Y873 WeakPolarHBondContact O-CA 3.17Å; P817-Y873 HydrophobicContact CB-CD1 4.43Å; P817-Y873 HydrophobicContact CB-CE1 4.47Å; P817-Y873 HydrophobicContact CG-CD1 4.13Å; P817-Y873 HydrophobicContact CG-CE1 3.91Å; S818-Y873 VanDerWaalsContact OG-C 3.23Å; S818-Y873 VanDerWaalsContact OG-CA 3.26Å; S818-Y873 WeakPolarHBondContact OG-CA 3.13Å; S818-Y873 PolarHBondContact OG-N 2.88Å; S818-Y873 VanDerWaalsContact OG-N 3.09Å; V829-Y873 HydrophobicContact CB-CE1 4.42Å; V829-Y873 HydrophobicContact CG1-CD1 4.46Å; V829-Y873 HydrophobicContact CG1-CE1 3.68Å; V829-Y873 HydrophobicContact CG2-CD1 3.81Å; V829-Y873 HydrophobicContact CG2-CE1 3.84Å; V829-Y873 HydrophobicContact CG2-CG 4.19Å; R854-Y873 PolarHBondContact NH1-OH 3.01Å; R854-Y873 PolarHBondContact NH2-OH 3.22Å; L869-Y873 HydrophobicContact CD1-CD2 3.96Å; L869-Y873 HydrophobicContact CD1-CG 4.38Å; L869-Y873 PolarHBondContact O-N 3.11Å
874T90.1Very high88Confident87 Ų8772.1 Ų72.153%0.53436%0.362SS..EExtended strand (participates in β ladder)trans-86.7133.3170-51.50000109.9Y815 L816 S818Y815-T874 WeakPolarHBondContact CA-O 3.39Å; L816-T874 PolarHBondContact N-O 2.85Å; L816-T874 PolarHBondContact O-N 3.49Å; S818-T874 PolarHBondContact OG-N 2.9Å; S818-T874 PolarHBondContact OG-OG1 3.37Å
875R90.2Very high88.2Confident106 Ų10672.6 Ų72.640%0.437%0.367SS..EExtended strand (participates in β ladder)trans-70.8139.6173.9-170.3171.7176.7-105.18.3110.1D812 Y815D812-R875 PolarHBondContact O-NE 2.75Å; D812-R875 PolarHBondContact O-NH2 3.4Å; Y815-R875 HydrophobicContact CD1-CB 4.07Å; Y815-R875 HydrophobicContact CD2-CG 4.35Å; Y815-R875 HydrophobicContact CE1-CB 3.66Å; Y815-R875 HydrophobicContact CE1-CG 4.35Å; Y815-R875 HydrophobicContact CE2-CB 4.11Å; Y815-R875 HydrophobicContact CE2-CG 3.88Å; Y815-R875 HydrophobicContact CG-CB 4.49Å
876V90Very high88.5Confident22 Ų2270.3 Ų70.313%0.13336%0.356CS..PPolyproline II helixtrans-98134.2-179.5-172.50000110.1F814 L816 N878 D881F814-V876 PolarHBondContact O-N 3.11Å; L816-V876 HydrophobicContact CB-CG2 4.26Å; L816-V876 HydrophobicContact CD1-CG2 3.7Å; L816-V876 HydrophobicContact CG-CG2 3.7Å; V876-N878 VanDerWaalsContact CG1-O 3.24Å; V876-N878 WeakPolarHBondContact CG1-O 3.16Å; V876-D881 HydrophobicContact CG1-CB 3.95Å; V876-D881 WeakPolarHBondContact CG1-OD2 3.45Å
877S85Confident88.7Confident126 Ų12670.8 Ų70.888%0.88136%0.362SS*.SBendtrans-70.8-36.3-178.5-52.80000113.2
878N86.8Confident88.9Confident68 Ų6870.2 Ų70.236%0.36435%0.354SS..SBendtrans-113.2115.5177.2175.318.4000109.7V876 S880 D881V876-N878 VanDerWaalsContact CG1-O 3.24Å; V876-N878 WeakPolarHBondContact CG1-O 3.16Å; N878-S880 WeakPolarHBondContact ND2-CB 3.24Å; N878-S880 PolarHBondContact O-N 3.07Å; N878-S880 VanDerWaalsContact OD1-CB 3.29Å; N878-S880 WeakPolarHBondContact OD1-CB 3.44Å; N878-S880 PolarHBondContact OD1-N 3.33Å; N878-S880 VanDerWaalsContact OD1-N 3.11Å; N878-S880 PolarHBondContact OD1-OG 2.74Å; N878-D881 PolarHBondContact ND2-OD1 2.91Å; N878-D881 PolarHBondContact O-N 2.85Å
879P87.4Confident89Confident22 Ų2266.4 Ų66.414%0.14334%0.338CS..G310 helixtrans-50.4-34175.2-30.637.2000113.8W797 M801 Y804 F814 D881 C882W797-P879 WeakPolarHBondContact CH2-O 3.49Å; M801-P879 HydrophobicContact CE-CB 3.94Å; Y804-P879 HydrophobicContact CD1-CG 4.34Å; Y804-P879 HydrophobicContact CE1-CB 4.47Å; Y804-P879 HydrophobicContact CE1-CG 3.6Å; F814-P879 HydrophobicContact CD2-CB 3.75Å; F814-P879 HydrophobicContact CD2-CG 4.27Å; F814-P879 HydrophobicContact CE2-CB 4.02Å; P879-D881 PolarHBondContact O-N 2.85Å; P879-D881 VanDerWaalsContact O-N 3.15Å; P879-C882 WeakPolarHBondContact O-CB 3.2Å; P879-C882 PolarHBondContact O-N 3.09Å
880S88Confident89.1Confident64 Ų6468.4 Ų68.445%0.44835%0.346SS..G310 helixtrans-56.9-31.6-176.9-40.80000113.4N878 C882 Q883N878-S880 WeakPolarHBondContact ND2-CB 3.24Å; N878-S880 PolarHBondContact O-N 3.07Å; N878-S880 VanDerWaalsContact OD1-CB 3.29Å; N878-S880 WeakPolarHBondContact OD1-CB 3.44Å; N878-S880 PolarHBondContact OD1-N 3.33Å; N878-S880 VanDerWaalsContact OD1-N 3.11Å; N878-S880 PolarHBondContact OD1-OG 2.74Å; S880-C882 PolarHBondContact O-N 3.26Å; S880-Q883 WeakPolarHBondContact O-CB 3.5Å; S880-Q883 PolarHBondContact O-N 2.94Å
881D87.8Confident89.2Confident89 Ų8971.7 Ų71.748%0.47636%0.359SS..G310 helixtrans-66.6-21.8-178.1-42.1-23.7000111.5V876 N878 P879V876-D881 HydrophobicContact CG1-CB 3.95Å; V876-D881 WeakPolarHBondContact CG1-OD2 3.45Å; N878-D881 PolarHBondContact ND2-OD1 2.91Å; N878-D881 PolarHBondContact O-N 2.85Å; P879-D881 PolarHBondContact O-N 2.85Å; P879-D881 VanDerWaalsContact O-N 3.15Å
882C89.4Confident89.2Confident0 Ų066.8 Ų66.80%034%0.336CS..G310 helixtrans-85.3-12.2172.8-74.10000114.1W797 F814 P828 P879 S880 E884 P885 W886W797-C882 HydrophobicContact CH2-CB 4.07Å; W797-C882 HydrophobicContact CZ3-CB 4.15Å; F814-C882 HydrophobicContact CB-CB 4.12Å; F814-C882 HydrophobicContact CD1-CB 4.21Å; F814-C882 HydrophobicContact CG-CB 4.31Å; P828-C882 HydrophobicContact CB-CB 4.24Å; P879-C882 WeakPolarHBondContact O-CB 3.2Å; P879-C882 PolarHBondContact O-N 3.09Å; S880-C882 PolarHBondContact O-N 3.26Å; C882-E884 PolarHBondContact O-N 3.17Å; C882-P885 WeakPolarHBondContact O-CD 3.36Å; C882-W886 WeakPolarHBondContact O-CB 3.25Å; C882-W886 PolarHBondContact O-N 2.98Å
883Q90.7Very high89.4Confident93 Ų9361 Ų6144%0.43531%0.314SS..Hα-helixtrans-58.9-50.2-172.6176.2165-33.800112.9W797 S880 S887W797-Q883 HydrophobicContact CD2-CB 4.19Å; W797-Q883 HydrophobicContact CD2-CG 4.15Å; W797-Q883 HydrophobicContact CG-CG 4.17Å; W797-Q883 HydrophobicContact CH2-CB 4.26Å; W797-Q883 HydrophobicContact CZ2-CB 3.61Å; W797-Q883 HydrophobicContact CZ2-CG 4.26Å; W797-Q883 VanDerWaalsContact NE1-CD 3.31Å; S880-Q883 WeakPolarHBondContact O-CB 3.5Å; S880-Q883 PolarHBondContact O-N 2.94Å; Q883-S887 WeakPolarHBondContact O-CB 3.45Å; Q883-S887 PolarHBondContact O-N 2.7Å; Q883-S887 PolarHBondContact O-OG 2.82Å
884E89.8Confident89.1Confident134 Ų13461.1 Ų61.163%0.62632%0.321SS*.Hα-helixtrans-71.7-47.9-177.318056.7-153.800111.9C882 W886 S887 R888C882-E884 PolarHBondContact O-N 3.17Å; E884-W886 VanDerWaalsContact C-N 3.3Å; E884-W886 PolarHBondContact O-N 2.75Å; E884-S887 PolarHBondContact O-N 2.91Å; E884-R888 WeakPolarHBondContact O-CB 3.5Å; E884-R888 PolarHBondContact O-N 3.22Å
885P89.4Confident88.7Confident38 Ų3868.1 Ų68.125%0.24734%0.337CS..Hα-helixtrans-54.6-42.3170.5-27.134.9000113.7P828 C882 I889P828-P885 HydrophobicContact CG-CB 4.05Å; C882-P885 WeakPolarHBondContact O-CD 3.36Å; P885-I889 WeakPolarHBondContact O-CG1 3.34Å; P885-I889 PolarHBondContact O-N 3.03Å
886W93Very high88.5Confident0 Ų069.3 Ų69.30%034%0.342CS..Hα-helixtrans-66.2-49.5179.6-168-72.5000111.3L795 W797 A800 F814 P828 L830 P855 C882 E884 R888 I889 F890L795-W886 HydrophobicContact CB-CZ2 4.22Å; L795-W886 HydrophobicContact CD2-CZ2 4.11Å; L795-W886 HydrophobicContact CG-CZ2 4.45Å; L795-W886 PolarHBondContact O-NE1 3.01Å; W797-W886 HydrophobicContact CE3-CB 3.7Å; W797-W886 AromaticContact CE3-CD1 3.91Å; W797-W886 HydrophobicContact CE3-CD2 4.06Å; W797-W886 AromaticContact CE3-CG 3.61Å; W797-W886 HydrophobicContact CE3-CG 3.61Å; W797-W886 HydrophobicContact CZ3-CB 4Å; W797-W886 HydrophobicContact CZ3-CD2 4.23Å; W797-W886 HydrophobicContact CZ3-CE3 4.34Å; W797-W886 HydrophobicContact CZ3-CG 4.09Å; A800-W886 HydrophobicContact CB-CH2 4.15Å; A800-W886 HydrophobicContact CB-CZ2 3.64Å; F814-W886 HydrophobicContact CD1-CE3 4.05Å; F814-W886 AromaticContact CD1-CZ3 3.93Å; F814-W886 HydrophobicContact CD1-CZ3 3.93Å; F814-W886 AromaticContact CE1-CE3 3.92Å; F814-W886 HydrophobicContact CE1-CE3 3.92Å; F814-W886 HydrophobicContact CE1-CH2 4.38Å; F814-W886 AromaticContact CE1-CZ3 3.8Å; F814-W886 HydrophobicContact CE1-CZ3 3.8Å; P828-W886 HydrophobicContact CB-CE3 4Å; P828-W886 HydrophobicContact CG-CB 3.9Å; P828-W886 HydrophobicContact CG-CD2 4.34Å; P828-W886 HydrophobicContact CG-CE3 3.74Å; P828-W886 HydrophobicContact CG-CG 4.47Å; L830-W886 HydrophobicContact CB-CH2 3.86Å; L830-W886 HydrophobicContact CB-CZ3 3.99Å; P855-W886 HydrophobicContact CB-CD2 3.95Å; P855-W886 HydrophobicContact CB-CG 3.94Å; P855-W886 HydrophobicContact CB-CZ2 4.34Å; P855-W886 HydrophobicContact CG-CD2 4.15Å; P855-W886 HydrophobicContact CG-CE3 4.47Å; P855-W886 HydrophobicContact CG-CG 4.39Å; C882-W886 WeakPolarHBondContact O-CB 3.25Å; C882-W886 PolarHBondContact O-N 2.98Å; E884-W886 VanDerWaalsContact C-N 3.3Å; E884-W886 PolarHBondContact O-N 2.75Å; W886-R888 VanDerWaalsContact C-N 3.33Å; W886-R888 PolarHBondContact O-N 3.42Å; W886-I889 PolarHBondContact O-N 3.14Å; W886-F890 WeakPolarHBondContact O-CB 3.34Å; W886-F890 PolarHBondContact O-N 3.22Å
887S91.5Very high88.3Confident39 Ų3968.6 Ų68.627%0.27334%0.338SS..Hα-helixtrans-63.5-39.3-179.9-60.30000111.7Q883 E884 F890 K891Q883-S887 WeakPolarHBondContact O-CB 3.45Å; Q883-S887 PolarHBondContact O-N 2.7Å; Q883-S887 PolarHBondContact O-OG 2.82Å; E884-S887 PolarHBondContact O-N 2.91Å; S887-F890 PolarHBondContact O-N 3.02Å; S887-K891 VanDerWaalsContact O-CB 3.27Å; S887-K891 WeakPolarHBondContact O-CB 3.35Å; S887-K891 PolarHBondContact O-N 3.21Å
888R89.9Confident88.3Confident121 Ų12163.9 Ų63.946%0.45730%0.302SS..Hα-helixtrans-62.8-52.7174.4-177.5174.7174.5179.7-2.9112.1E884 W886 F890 K891 E892E884-R888 WeakPolarHBondContact O-CB 3.5Å; E884-R888 PolarHBondContact O-N 3.22Å; W886-R888 VanDerWaalsContact C-N 3.33Å; W886-R888 PolarHBondContact O-N 3.42Å; R888-F890 VanDerWaalsContact C-N 3.33Å; R888-F890 PolarHBondContact O-N 3.28Å; R888-K891 PolarHBondContact O-N 3.28Å; R888-E892 HydrophobicContact CG-CG 4.39Å; R888-E892 WeakPolarHBondContact CG-OE1 3.36Å; R888-E892 IonicContact CZ-OE1 2.8Å; R888-E892 IonicContact NE-OE1 3.38Å; R888-E892 PolarHBondContact NE-OE1 3.12Å; R888-E892 IonicContact NH2-OE1 3.5Å; R888-E892 PolarHBondContact NH2-OE1 2.67Å; R888-E892 WeakPolarHBondContact O-CG 3.18Å; R888-E892 PolarHBondContact O-N 2.96Å
889I89.7Confident88.2Confident0 Ų063.4 Ų63.40%030%0.298CS..Hα-helixtrans-60.5-44.4176.5-65.9-67.4000110.7I825 I827 P855 N856 P885 W886 K891 E892 S893 L901I825-I889 HydrophobicContact CG2-CD1 3.55Å; I827-I889 HydrophobicContact CG1-CD1 3.85Å; I827-I889 HydrophobicContact CG1-CG1 4.29Å; P855-I889 HydrophobicContact CB-CB 4.04Å; P855-I889 HydrophobicContact CB-CG2 3.88Å; P855-I889 HydrophobicContact CG-CB 3.76Å; P855-I889 HydrophobicContact CG-CG1 4.5Å; P855-I889 HydrophobicContact CG-CG2 3.53Å; N856-I889 HydrophobicContact CB-CG2 4.14Å; P885-I889 WeakPolarHBondContact O-CG1 3.34Å; P885-I889 PolarHBondContact O-N 3.03Å; W886-I889 PolarHBondContact O-N 3.14Å; I889-K891 VanDerWaalsContact C-N 3.28Å; I889-K891 PolarHBondContact O-N 3.04Å; I889-E892 PolarHBondContact O-N 3.26Å; I889-S893 WeakPolarHBondContact O-CB 3.36Å; I889-S893 PolarHBondContact O-N 3.28Å; I889-S893 PolarHBondContact O-OG 2.95Å; I889-L901 HydrophobicContact CD1-CD1 4.49Å
890F90.1Very high88Confident43 Ų4365.5 Ų65.519%0.18931%0.306CS..Hα-helixtrans-57.6-40.1178.3-179.8-98000111.8L795 P796 P855 W886 S887 R888 R921L795-F890 WeakPolarHBondContact O-CD2 3.47Å; P796-F890 VanDerWaalsContact CA-CE2 3.45Å; P796-F890 HydrophobicContact CB-CE1 4.07Å; P796-F890 HydrophobicContact CB-CE2 3.84Å; P796-F890 HydrophobicContact CB-CZ 3.59Å; P796-F890 HydrophobicContact CG-CE2 4.44Å; P796-F890 HydrophobicContact CG-CZ 4.34Å; P796-F890 VanDerWaalsContact N-CE2 3.29Å; P855-F890 HydrophobicContact CB-CB 4.18Å; P855-F890 WeakPolarHBondContact O-CD2 3.45Å; W886-F890 WeakPolarHBondContact O-CB 3.34Å; W886-F890 PolarHBondContact O-N 3.22Å; S887-F890 PolarHBondContact O-N 3.02Å; R888-F890 VanDerWaalsContact C-N 3.33Å; R888-F890 PolarHBondContact O-N 3.28Å; F890-R921 VanDerWaalsContact CE1-NH1 3.28Å; F890-R921 VanDerWaalsContact CE2-CD 3.47Å; F890-R921 VanDerWaalsContact CZ-CZ 3.45Å; F890-R921 WeakPolarHBondContact O-CD 3.39Å; F890-R921 PolarHBondContact O-NH1 3.33Å
891K89.9Confident87.7Confident170 Ų17062.8 Ų62.874%0.73929%0.287SS*.Hα-helixtrans-74.8-48.2177.9-171.2175.1-178177.80112.8S887 R888 I889S887-K891 VanDerWaalsContact O-CB 3.27Å; S887-K891 WeakPolarHBondContact O-CB 3.35Å; S887-K891 PolarHBondContact O-N 3.21Å; R888-K891 PolarHBondContact O-N 3.28Å; I889-K891 VanDerWaalsContact C-N 3.28Å; I889-K891 PolarHBondContact O-N 3.04Å
892E88.9Confident87.3Confident32 Ų3261.1 Ų61.115%0.1528%0.278CS..Hα-helixtrans-71-38.4-176.5-66.4-163.5-133.200112.9R888 I889 A894 R895 R896 L901R888-E892 HydrophobicContact CG-CG 4.39Å; R888-E892 WeakPolarHBondContact CG-OE1 3.36Å; R888-E892 IonicContact CZ-OE1 2.8Å; R888-E892 IonicContact NE-OE1 3.38Å; R888-E892 PolarHBondContact NE-OE1 3.12Å; R888-E892 IonicContact NH2-OE1 3.5Å; R888-E892 PolarHBondContact NH2-OE1 2.67Å; R888-E892 WeakPolarHBondContact O-CG 3.18Å; R888-E892 PolarHBondContact O-N 2.96Å; I889-E892 PolarHBondContact O-N 3.26Å; E892-A894 PolarHBondContact O-N 2.95Å; E892-A894 VanDerWaalsContact O-N 3.09Å; E892-R895 PolarHBondContact O-N 3.04Å; E892-R896 PolarHBondContact O-N 3.23Å; E892-R896 WeakPolarHBondContact OE2-CD 3.22Å; E892-R896 IonicContact OE2-CZ 2.7Å; E892-R896 IonicContact OE2-NE 3.87Å; E892-R896 IonicContact OE2-NH1 2.99Å; E892-R896 PolarHBondContact OE2-NH1 2.72Å; E892-L901 HydrophobicContact CB-CD2 3.71Å; E892-L901 WeakPolarHBondContact OE2-CD2 3.44Å
893S88.9Confident86.8Confident0 Ų066.1 Ų66.10%030%0.301CS..THydrogen-bonded Turntrans-68.3-6.1-178.762.30000114.8N856 I889 R895 L920 R921N856-S893 WeakPolarHBondContact CB-OG 3.21Å; I889-S893 WeakPolarHBondContact O-CB 3.36Å; I889-S893 PolarHBondContact O-N 3.28Å; I889-S893 PolarHBondContact O-OG 2.95Å; S893-R895 PolarHBondContact O-N 3.27Å; S893-L920 CarbonylContact O-C 3.56Å; S893-L920 WeakPolarHBondContact O-CA 3.32Å; S893-L920 WeakPolarHBondContact O-CD2 3.41Å; S893-R921 PolarHBondContact O-N 2.91Å
894A85Confident86.2Confident29 Ų2964.5 Ų64.524%0.2431%0.309CS..THydrogen-bonded Turntrans-71.3-13.1168.400000113.4E892 T922E892-A894 PolarHBondContact O-N 2.95Å; E892-A894 VanDerWaalsContact O-N 3.09Å; A894-T922 PolarHBondContact O-OG1 3.16Å
895R82Confident85.8Confident235 Ų23564 Ų6489%0.88731%0.305SS*.THydrogen-bonded Turntrans-140.4-25176.5-64-174.3-177.6178.31.2114.7E892 S893E892-R895 PolarHBondContact O-N 3.04Å; S893-R895 PolarHBondContact O-N 3.27Å
896R85.5Confident85.4Confident131 Ų13162.4 Ų62.449%0.49429%0.294SS..SBendtrans-101.8120.8-179-68.5177.8172.2171-4.3110.5E892 M900 L901 L920E892-R896 PolarHBondContact O-N 3.23Å; E892-R896 WeakPolarHBondContact OE2-CD 3.22Å; E892-R896 IonicContact OE2-CZ 2.7Å; E892-R896 IonicContact OE2-NE 3.87Å; E892-R896 IonicContact OE2-NH1 2.99Å; E892-R896 PolarHBondContact OE2-NH1 2.72Å; R896-M900 HydrophobicContact CB-CB 4.29Å; R896-M900 HydrophobicContact CB-CG 4.31Å; R896-M900 HydrophobicContact CG-CG 4.25Å; R896-L901 HydrophobicContact CB-CD2 3.71Å; R896-L901 HydrophobicContact CB-CG 4.01Å; R896-L901 HydrophobicContact CG-CD2 4.49Å; R896-L920 VanDerWaalsContact C-CD2 3.43Å; R896-L920 WeakPolarHBondContact O-CD2 3.42Å
897C86.5Confident84.6Confident7 Ų765.5 Ų65.55%0.04732%0.316CS..  trans-65.9160.8173.871.50000111.1H899 M900 L901 C916 V918 L920C897-H899 PolarHBondContact O-N 2.9Å; C897-H899 VanDerWaalsContact O-N 3.17Å; C897-M900 WeakPolarHBondContact O-CA 3.49Å; C897-M900 VanDerWaalsContact O-CB 3.31Å; C897-M900 WeakPolarHBondContact O-CB 3.26Å; C897-M900 PolarHBondContact O-N 2.84Å; C897-L901 PolarHBondContact O-N 2.84Å; C897-L901 VanDerWaalsContact O-N 3.1Å; C897-C916 HydrophobicContact CB-CB 3.97Å; C897-C916 VanDerWaalsContact CB-O 3.25Å; C897-C916 WeakPolarHBondContact CB-O 3.31Å; C897-C916 VanDerWaalsContact SG-SG 3.69Å; C897-V918 WeakPolarHBondContact CA-O 3.19Å; C897-V918 WeakPolarHBondContact CB-O 3.3Å; C897-L920 HydrophobicContact CB-CD2 4.43Å
898I84.1Confident83.4Confident26 Ų2666.2 Ų66.213%0.13332%0.321CS..Hα-helixtrans-60.2-33.9-174-15861.9000113I827 M900 L901 L902 V918I827-I898 HydrophobicContact CD1-CD1 3.72Å; I898-M900 PolarHBondContact O-N 2.72Å; I898-L901 HydrophobicContact CD1-CD1 4.19Å; I898-L901 PolarHBondContact O-N 3Å; I898-L902 HydrophobicContact CD1-CD1 4.46Å; I898-L902 HydrophobicContact CG1-CD1 3.88Å; I898-L902 HydrophobicContact CG1-CG 4.28Å; I898-L902 WeakPolarHBondContact O-CB 3.41Å; I898-L902 WeakPolarHBondContact O-CG 3.43Å; I898-L902 PolarHBondContact O-N 2.87Å; I898-V918 HydrophobicContact CG2-CB 4.44Å; I898-V918 HydrophobicContact CG2-CG1 3.82Å; I898-V918 PolarHBondContact N-O 2.92Å
899H84.3Confident82.5Confident58 Ų5862.6 Ų62.627%0.26931%0.313SS..Hα-helixtrans-62.1-41.5173.6-51.4135.1000112.1C897 L901 L902 H903 F905 C906C897-H899 PolarHBondContact O-N 2.9Å; C897-H899 VanDerWaalsContact O-N 3.17Å; H899-L901 VanDerWaalsContact C-N 3.29Å; H899-L901 PolarHBondContact O-N 3.27Å; H899-L902 PolarHBondContact O-N 3.25Å; H899-H903 WeakPolarHBondContact O-CA 3.35Å; H899-H903 WeakPolarHBondContact O-CB 3.41Å; H899-H903 PolarHBondContact O-N 2.71Å; H899-F905 CarbonylContact C-O 3.55Å; H899-F905 VanDerWaalsContact C-O 3.25Å; H899-F905 VanDerWaalsContact O-O 3.12Å; H899-C906 HydrophobicContact CB-CB 3.94Å; H899-C906 PolarHBondContact ND1-SG 3.19Å; H899-C906 VanDerWaalsContact ND1-SG 3.42Å
900M83.9Confident81.5Confident66 Ų6669.6 Ų69.633%0.32535%0.347SS..Hα-helixtrans-66.5-32.7176.5-165.967.366.100111.6R896 C897 I898 G904 C906R896-M900 HydrophobicContact CB-CB 4.29Å; R896-M900 HydrophobicContact CB-CG 4.31Å; R896-M900 HydrophobicContact CG-CG 4.25Å; C897-M900 WeakPolarHBondContact O-CA 3.49Å; C897-M900 VanDerWaalsContact O-CB 3.31Å; C897-M900 WeakPolarHBondContact O-CB 3.26Å; C897-M900 PolarHBondContact O-N 2.84Å; I898-M900 PolarHBondContact O-N 2.72Å; M900-G904 WeakPolarHBondContact O-CA 3.24Å; M900-G904 PolarHBondContact O-N 3.44Å; M900-C906 HydrophobicContact CE-CB 4.25Å
901L82.3Confident80.3Confident8 Ų875.4 Ų75.44%0.04238%0.375CS..Hα-helixtrans-75.9-38176.4-62.9174.1000113I825 I889 E892 R896 C897 I898 H899I825-L901 HydrophobicContact CD1-CB 4.41Å; I825-L901 HydrophobicContact CD1-CD2 4.26Å; I825-L901 VanDerWaalsContact CD1-O 3.29Å; I825-L901 WeakPolarHBondContact CD1-O 3.5Å; I825-L901 WeakPolarHBondContact CG1-O 3.34Å; I889-L901 HydrophobicContact CD1-CD1 4.49Å; E892-L901 HydrophobicContact CB-CD2 3.71Å; E892-L901 WeakPolarHBondContact OE2-CD2 3.44Å; R896-L901 HydrophobicContact CB-CD2 3.71Å; R896-L901 HydrophobicContact CB-CG 4.01Å; R896-L901 HydrophobicContact CG-CD2 4.49Å; C897-L901 PolarHBondContact O-N 2.84Å; C897-L901 VanDerWaalsContact O-N 3.1Å; I898-L901 HydrophobicContact CD1-CD1 4.19Å; I898-L901 PolarHBondContact O-N 3Å; H899-L901 VanDerWaalsContact C-N 3.29Å; H899-L901 PolarHBondContact O-N 3.27Å
902L78.2Confident78.8Confident54 Ų5470.3 Ų70.328%0.28336%0.36SS..Hα-helixtrans-92.8-23.5-174.8-68.7178.4000114.6I827 I898 H899I827-L902 HydrophobicContact CD1-CD1 4.48Å; I827-L902 HydrophobicContact CD1-CD2 3.91Å; I827-L902 HydrophobicContact CD1-CG 4.44Å; I898-L902 HydrophobicContact CD1-CD1 4.46Å; I898-L902 HydrophobicContact CG1-CD1 3.88Å; I898-L902 HydrophobicContact CG1-CG 4.28Å; I898-L902 WeakPolarHBondContact O-CB 3.41Å; I898-L902 WeakPolarHBondContact O-CG 3.43Å; I898-L902 PolarHBondContact O-N 2.87Å; H899-L902 PolarHBondContact O-N 3.25Å
903H79Confident77.5Confident105 Ų10580 Ų8049%0.48640%0.396SS..Hα-helixtrans-128-9.5-173.8-48.3-55.8000113.8H899 F905H899-H903 WeakPolarHBondContact O-CA 3.35Å; H899-H903 WeakPolarHBondContact O-CB 3.41Å; H899-H903 PolarHBondContact O-N 2.71Å; H903-F905 HydrophobicContact CB-CD1 4.23Å; H903-F905 HydrophobicContact CB-CE1 4.08Å; H903-F905 HydrophobicContact CB-CZ 4.49Å; H903-F905 WeakPolarHBondContact O-CD1 3.36Å; H903-F905 PolarHBondContact O-N 3.36Å
904G78.1Confident76.4Confident58 Ų5883.6 Ų83.660%0.59842%0.418SS*.SBendtrans74.6-4.5-175.900000115.1M900M900-G904 WeakPolarHBondContact O-CA 3.24Å; M900-G904 PolarHBondContact O-N 3.44Å
905F81.8Confident75.6Confident124 Ų12488.1 Ų88.154%0.54444%0.437SS..  trans-144168.4175.665.4-88.7000111.4H899 H903H899-F905 CarbonylContact C-O 3.55Å; H899-F905 VanDerWaalsContact C-O 3.25Å; H899-F905 VanDerWaalsContact O-O 3.12Å; H903-F905 HydrophobicContact CB-CD1 4.23Å; H903-F905 HydrophobicContact CB-CE1 4.08Å; H903-F905 HydrophobicContact CB-CZ 4.49Å; H903-F905 WeakPolarHBondContact O-CD1 3.36Å; H903-F905 PolarHBondContact O-N 3.36Å
906C80.7Confident75.4Confident4 Ų477.6 Ų77.63%0.02740%0.4CS..  trans-143.2116.3171.7-173.60000110.9H899 M900 S908 T909 M910H899-C906 HydrophobicContact CB-CB 3.94Å; H899-C906 PolarHBondContact ND1-SG 3.19Å; H899-C906 VanDerWaalsContact ND1-SG 3.42Å; M900-C906 HydrophobicContact CE-CB 4.25Å; C906-S908 VanDerWaalsContact C-N 3.3Å; C906-S908 PolarHBondContact O-N 3.21Å; C906-T909 PolarHBondContact O-N 3.48Å; C906-M910 WeakPolarHBondContact O-CG 3.47Å; C906-M910 PolarHBondContact O-N 2.83Å
907S76.3Confident74.8Confident65 Ų6573.7 Ų73.746%0.45539%0.387SS..Hα-helixtrans-56.7-41.7-176.8-43.40000112.5T909 M910 Q911S907-T909 PolarHBondContact O-N 2.92Å; S907-M910 PolarHBondContact O-N 3.42Å; S907-Q911 WeakPolarHBondContact O-CB 3.44Å; S907-Q911 WeakPolarHBondContact O-CG 3.33Å; S907-Q911 PolarHBondContact O-N 3.06Å
908S67.3Low74.4Confident55 Ų5577 Ų7739%0.38541%0.407SS..Hα-helixtrans-57.5-51.2177-44.70000111.6C906 M910 Q911 S912C906-S908 VanDerWaalsContact C-N 3.3Å; C906-S908 PolarHBondContact O-N 3.21Å; S908-M910 PolarHBondContact O-N 3.11Å; S908-Q911 PolarHBondContact O-N 3.04Å; S908-S912 PolarHBondContact O-N 2.85Å; S908-S912 PolarHBondContact O-OG 2.78Å
909T70.4Confident74Confident45 Ų4576.7 Ų76.728%0.27641%0.41SS..Hα-helixtrans-61.5-32.3179.6-47.50000112.6C906 S907 C916C906-T909 PolarHBondContact O-N 3.48Å; S907-T909 PolarHBondContact O-N 2.92Å; T909-C916 WeakPolarHBondContact OG1-CB 3.49Å
910M67.6Low74Confident146 Ų14675.1 Ų75.172%0.71940%0.403SS*.Hα-helixtrans-76.9-42.4177-65-867900112.9C906 S907 S908C906-M910 WeakPolarHBondContact O-CG 3.47Å; C906-M910 PolarHBondContact O-N 2.83Å; S907-M910 PolarHBondContact O-N 3.42Å; S908-M910 PolarHBondContact O-N 3.11Å
911Q65.3Low74.1Confident165 Ų16573.5 Ų73.577%0.77139%0.394SS*.Hα-helixtrans-82.7-47-171.6-71.3171.9-24.900113.2S907 S908S907-Q911 WeakPolarHBondContact O-CB 3.44Å; S907-Q911 WeakPolarHBondContact O-CG 3.33Å; S907-Q911 PolarHBondContact O-N 3.06Å; S908-Q911 PolarHBondContact O-N 3.04Å
912S59.3Low74.1Confident63 Ų6374.6 Ų74.644%0.44140%0.401SS..SBendtrans-96.7-7.5-172.762.70000114.2S908 T914S908-S912 PolarHBondContact O-N 2.85Å; S908-S912 PolarHBondContact O-OG 2.78Å; S912-T914 PolarHBondContact O-N 3.06Å; S912-T914 PolarHBondContact OG-N 3.2Å; S912-T914 PolarHBondContact OG-OG1 3.41Å
913R62Low74.2Confident236 Ų23676.2 Ų76.289%0.89140%0.403SS*.  trans55.58.5-165-61.5-178.2172.9179.9-1.5114.8
914T64.9Low74.6Confident76 Ų7672.8 Ų72.847%0.46639%0.388SS..  trans-85.8151176.863.80000111.5S912 C916S912-T914 PolarHBondContact O-N 3.06Å; S912-T914 PolarHBondContact OG-N 3.2Å; S912-T914 PolarHBondContact OG-OG1 3.41Å; T914-C916 PolarHBondContact O-N 2.91Å
915L69Low75Confident123 Ų12370.8 Ų70.864%0.64436%0.363SS*.  trans-73.7117.9177-76.3158.1000110.1E917L915-E917 PolarHBondContact O-N 2.84Å
916C76.4Confident75.4Confident14 Ų1466 Ų6610%0.09534%0.341CS..  trans-68.5109.8173.7-1790000111C897 T909 T914 V918C897-C916 HydrophobicContact CB-CB 3.97Å; C897-C916 VanDerWaalsContact CB-O 3.25Å; C897-C916 WeakPolarHBondContact CB-O 3.31Å; C897-C916 VanDerWaalsContact SG-SG 3.69Å; T909-C916 WeakPolarHBondContact OG1-CB 3.49Å; T914-C916 PolarHBondContact O-N 2.91Å; C916-V918 VanDerWaalsContact C-N 3.29Å; C916-V918 PolarHBondContact O-N 2.91Å
917E74.2Confident75.8Confident50 Ų5065.8 Ų65.823%0.23434%0.34CS..  trans-79.1-7.1175.9-66.5-153.5122.600114.1L915 G919 L920 R923 N924L915-E917 PolarHBondContact O-N 2.84Å; E917-G919 PolarHBondContact O-N 3.23Å; E917-L920 PolarHBondContact O-N 3.48Å; E917-R923 WeakPolarHBondContact OE1-CG 3.46Å; E917-R923 WeakPolarHBondContact OE2-CG 3.38Å; E917-R923 IonicContact OE2-CZ 2.67Å; E917-R923 IonicContact OE2-NE 3.89Å; E917-R923 PolarHBondContact OE2-NE 3.19Å; E917-R923 IonicContact OE2-NH2 2.86Å; E917-R923 PolarHBondContact OE2-NH2 3.09Å; E917-N924 PolarHBondContact OE1-N 2.8Å
918V77.6Confident76.4Confident77 Ų7762.7 Ų62.747%0.46732%0.318SS..THydrogen-bonded Turntrans-62.6113.1-168.7-173.40000111C897 I898 C916 L920C897-V918 WeakPolarHBondContact CA-O 3.19Å; C897-V918 WeakPolarHBondContact CB-O 3.3Å; I898-V918 HydrophobicContact CG2-CB 4.44Å; I898-V918 HydrophobicContact CG2-CG1 3.82Å; I898-V918 PolarHBondContact N-O 2.92Å; C916-V918 VanDerWaalsContact C-N 3.29Å; C916-V918 PolarHBondContact O-N 2.91Å; V918-L920 VanDerWaalsContact C-N 3.3Å; V918-L920 PolarHBondContact O-N 2.84Å
919G75.2Confident77.4Confident19 Ų1960.7 Ų60.720%0.19630%0.304CS..THydrogen-bonded Turntrans70.416.4-179.800000115.6N856 E917N856-G919 PolarHBondContact ND2-O 3.09Å; E917-G919 PolarHBondContact O-N 3.23Å
920L84.6Confident78Confident24 Ų2459.1 Ų59.113%0.12630%0.297CS..  trans-66.7147.2165.8-70.7-177.3000111.4S893 R896 C897 E917 V918S893-L920 CarbonylContact O-C 3.56Å; S893-L920 WeakPolarHBondContact O-CA 3.32Å; S893-L920 WeakPolarHBondContact O-CD2 3.41Å; R896-L920 VanDerWaalsContact C-CD2 3.43Å; R896-L920 WeakPolarHBondContact O-CD2 3.42Å; C897-L920 HydrophobicContact CB-CD2 4.43Å; E917-L920 PolarHBondContact O-N 3.48Å; V918-L920 VanDerWaalsContact C-N 3.3Å; V918-L920 PolarHBondContact O-N 2.84Å
921R85.5Confident78.6Confident32 Ų3252.3 Ų52.312%0.12126%0.264CS..SBendtrans-72.9-36.7174.2-156.9-173.687.9-15711.2113.3E792 R793 N856 F890 S893E792-R921 IonicContact OE1-CZ 3.04Å; E792-R921 IonicContact OE1-NE 3.75Å; E792-R921 IonicContact OE1-NH2 2.92Å; E792-R921 PolarHBondContact OE1-NH2 3Å; R793-R921 PolarHBondContact N-O 2.8Å; N856-R921 WeakPolarHBondContact O-CA 3.41Å; F890-R921 VanDerWaalsContact CE1-NH1 3.28Å; F890-R921 VanDerWaalsContact CE2-CD 3.47Å; F890-R921 VanDerWaalsContact CZ-CZ 3.45Å; F890-R921 WeakPolarHBondContact O-CD 3.39Å; F890-R921 PolarHBondContact O-NH1 3.33Å; S893-R921 PolarHBondContact O-N 2.91Å
922T82.9Confident79.4Confident31 Ų3144.7 Ų44.719%0.1923%0.228CC..EExtended strand (participates in β ladder)trans-108.5119.2-176.146.30000108.5A791 E792 A894A791-T922 WeakPolarHBondContact O-CA 3.47Å; E792-T922 HydrophobicContact CG-CG2 4.48Å; A894-T922 PolarHBondContact O-OG1 3.16Å
923R80.8Confident80.3Confident89 Ų8942.2 Ų42.234%0.33621%0.21SC..EExtended strand (participates in β ladder)trans-102.4144.4172.2-159.1179.5-172.9-163.34.3110.6T790 A791 R793 E917T790-R923 WeakPolarHBondContact CA-O 3.27Å; A791-R923 PolarHBondContact N-O 3.49Å; A791-R923 PolarHBondContact O-N 2.89Å; R793-R923 VanDerWaalsContact NH2-CD 3.32Å; E917-R923 WeakPolarHBondContact OE1-CG 3.46Å; E917-R923 WeakPolarHBondContact OE2-CG 3.38Å; E917-R923 IonicContact OE2-CZ 2.67Å; E917-R923 IonicContact OE2-NE 3.89Å; E917-R923 PolarHBondContact OE2-NE 3.19Å; E917-R923 IonicContact OE2-NH2 2.86Å; E917-R923 PolarHBondContact OE2-NH2 3.09Å
924N86.3Confident80.9Confident32 Ų3232.1 Ų32.117%0.17117%0.174CC..EExtended strand (participates in β ladder)trans-103122.4176-50.7-93.2000109.1K788 E917 Y926K788-N924 WeakPolarHBondContact CE-OD1 3.49Å; K788-N924 PolarHBondContact NZ-OD1 3.12Å; E917-N924 PolarHBondContact OE1-N 2.8Å; N924-Y926 HydrophobicContact CB-CE2 3.92Å
925Y86.5Confident81.6Confident16 Ų1628.8 Ų28.86%0.06315%0.153CC..EExtended strand (participates in β ladder)trans-108.5141.5166.5-58.4-73.6000108.8L758 V789 A791 R793 L970L758-Y925 HydrophobicContact CD1-CD1 4.21Å; L758-Y925 HydrophobicContact CD1-CD2 3.66Å; L758-Y925 HydrophobicContact CD1-CE2 3.99Å; L758-Y925 HydrophobicContact CD1-CG 3.75Å; L758-Y925 HydrophobicContact CD2-CD2 4.42Å; L758-Y925 HydrophobicContact CD2-CE1 4.11Å; L758-Y925 HydrophobicContact CD2-CE2 3.92Å; V789-Y925 PolarHBondContact N-O 3.37Å; V789-Y925 PolarHBondContact O-N 3.37Å; A791-Y925 HydrophobicContact CB-CD2 4.02Å; A791-Y925 HydrophobicContact CB-CE2 3.56Å; R793-Y925 PolarHBondContact NH2-OH 2.78Å; R793-Y925 VanDerWaalsContact NH2-OH 3.09Å; Y925-L970 HydrophobicContact CD1-CD1 4.03Å
926Y89.7Confident82Confident24 Ų2423.2 Ų23.29%0.09412%0.124CC..EExtended strand (participates in β ladder)trans-116116.6176.1-59.5-89.4000107.6W769 H787 K788 N924 I971 Q973 V976W769-Y926 HydrophobicContact CH2-CD1 4.46Å; W769-Y926 HydrophobicContact CZ2-CD1 4.49Å; W769-Y926 HydrophobicContact CZ2-CE1 4.2Å; H787-Y926 CarbonylContact O-C 3.59Å; H787-Y926 WeakPolarHBondContact O-CA 3.38Å; K788-Y926 HydrophobicContact CB-CD1 4.15Å; K788-Y926 HydrophobicContact CB-CE1 4.09Å; K788-Y926 HydrophobicContact CD-CE1 3.83Å; K788-Y926 HydrophobicContact CG-CD1 4.08Å; K788-Y926 HydrophobicContact CG-CE1 3.66Å; N924-Y926 HydrophobicContact CB-CE2 3.92Å; Y926-I971 PolarHBondContact O-N 2.84Å; Y926-Q973 HydrophobicContact CD2-CB 4.34Å; Y926-Q973 HydrophobicContact CE2-CB 3.98Å; Y926-Q973 HydrophobicContact CE2-CG 3.84Å; Y926-V976 HydrophobicContact CD1-CG1 3.96Å; Y926-V976 HydrophobicContact CD1-CG2 3.84Å; Y926-V976 HydrophobicContact CD2-CG2 3.64Å; Y926-V976 HydrophobicContact CE1-CG1 4.12Å; Y926-V976 HydrophobicContact CE1-CG2 4.37Å; Y926-V976 HydrophobicContact CE2-CG2 4.2Å; Y926-V976 HydrophobicContact CG-CG1 4.41Å; Y926-V976 HydrophobicContact CG-CG2 3.44Å; Y926-V976 VanDerWaalsContact CG-CG2 3.44Å
927V89.3Confident81.9Confident0 Ų024.9 Ų24.90%014%0.138CC..EExtended strand (participates in β ladder)trans-122.6119.7-169.8-177.60000109.1H787 V956 L958 I966 S969H787-V927 PolarHBondContact CD2-O 3.11Å; H787-V927 PolarHBondContact N-O 2.98Å; H787-V927 PolarHBondContact O-N 3.36Å; V927-V956 HydrophobicContact CG1-CG1 4.33Å; V927-V956 HydrophobicContact CG2-CB 4.41Å; V927-V956 HydrophobicContact CG2-CG1 3.9Å; V927-L958 HydrophobicContact CB-CD2 4.34Å; V927-L958 HydrophobicContact CG1-CD2 4.31Å; V927-L958 HydrophobicContact CG2-CD2 3.91Å; V927-I966 HydrophobicContact CG1-CG2 4.09Å; V927-S969 CarbonylContact C-O 3.55Å; V927-S969 WeakPolarHBondContact CA-O 3.43Å
928L89.3Confident82.1Confident0 Ų026.7 Ų26.70%014%0.143CC..EExtended strand (participates in β ladder)trans-96.2110.9-180-17370.2000109.3V784 H785 L786 V932 V935 I939 G968 S969 I971 L983V784-L928 HydrophobicContact CG1-CD1 3.44Å; V784-L928 VanDerWaalsContact CG1-CD1 3.44Å; V784-L928 HydrophobicContact CG1-CG 4Å; H785-L928 CarbonylContact O-C 3.54Å; H785-L928 WeakPolarHBondContact O-CA 3.32Å; L786-L928 HydrophobicContact CB-CD1 4.08Å; L786-L928 HydrophobicContact CD1-CB 4.12Å; L786-L928 HydrophobicContact CD1-CD1 4.09Å; L928-V932 HydrophobicContact CD2-CG1 3.95Å; L928-V932 HydrophobicContact CG-CG1 4.41Å; L928-V932 HydrophobicContact CG-CG2 4.38Å; L928-V932 WeakPolarHBondContact O-CG2 3.27Å; L928-V935 HydrophobicContact CD2-CG2 4.48Å; L928-I939 HydrophobicContact CD2-CD1 3.49Å; L928-I939 VanDerWaalsContact CD2-CD1 3.49Å; L928-G968 CarbonylContact O-C 3.53Å; L928-G968 WeakPolarHBondContact O-CA 3.35Å; L928-S969 PolarHBondContact N-O 3.21Å; L928-S969 PolarHBondContact O-N 3.43Å; L928-I971 HydrophobicContact CB-CD1 4.07Å; L928-I971 HydrophobicContact CB-CG1 3.9Å; L928-I971 HydrophobicContact CD2-CD1 4.12Å; L928-L983 HydrophobicContact CD1-CD1 3.78Å
929S88.2Confident82.3Confident13 Ų1323.1 Ų23.19%0.09112%0.121CC..EExtended strand (participates in β ladder)trans-115.8-179.4-179.382.60000112V784 H785 H787 I967V784-S929 WeakPolarHBondContact CA-O 3.35Å; H785-S929 PolarHBondContact N-O 3.25Å; H785-S929 PolarHBondContact O-N 3.16Å; H787-S929 PolarHBondContact NE2-OG 3.2Å; S929-I967 WeakPolarHBondContact CB-O 3.48Å
930G83.7Confident82.3Confident11 Ų1124.2 Ų24.211%0.11312%0.121CC..EExtended strand (participates in β ladder)trans85.8-146.3-175.500000111.8Q783 V932Q783-G930 CarbonylContact O-C 3.52Å; Q783-G930 VanDerWaalsContact O-CA 3.32Å; Q783-G930 WeakPolarHBondContact O-CA 3.19Å; G930-V932 PolarHBondContact O-N 3.42Å
931S80.5Confident81.9Confident4 Ų426 Ų263%0.02813%0.134CC..SBendtrans-80.463.7-177.5-162.50000112.7D40 R44 Q783 V784 L933 N934D40-S931 VanDerWaalsContact OD1-CA 3.25Å; D40-S931 WeakPolarHBondContact OD1-CA 3.17Å; D40-S931 VanDerWaalsContact OD1-CB 3.3Å; D40-S931 WeakPolarHBondContact OD1-CB 3.49Å; D40-S931 PolarHBondContact OD1-OG 3.48Å; R44-S931 PolarHBondContact NH2-OG 2.78Å; R44-S931 VanDerWaalsContact NH2-OG 3.16Å; Q783-S931 PolarHBondContact O-N 3.18Å; V784-S931 VanDerWaalsContact CG2-O 3.31Å; V784-S931 WeakPolarHBondContact CG2-O 3.39Å; S931-L933 PolarHBondContact O-N 3.31Å; S931-L933 VanDerWaalsContact O-N 3.09Å; S931-N934 PolarHBondContact O-N 2.92Å; S931-N934 PolarHBondContact OG-ND2 3.1Å; S931-N934 PolarHBondContact OG-OD1 3.42Å
932V81.7Confident81.5Confident4 Ų427.9 Ų27.92%0.02414%0.143CC..THydrogen-bonded Turntrans-59.5-25.2-172.5-173.40000112.6L928 G930 V935 W936 M953L928-V932 HydrophobicContact CD2-CG1 3.95Å; L928-V932 HydrophobicContact CG-CG1 4.41Å; L928-V932 HydrophobicContact CG-CG2 4.38Å; L928-V932 WeakPolarHBondContact O-CG2 3.27Å; G930-V932 PolarHBondContact O-N 3.42Å; V932-V935 VanDerWaalsContact O-CG2 3.25Å; V932-V935 WeakPolarHBondContact O-CG2 3.48Å; V932-V935 PolarHBondContact O-N 2.91Å; V932-W936 HydrophobicContact CG1-CE3 4.06Å; V932-W936 HydrophobicContact CG1-CZ3 4.4Å; V932-W936 PolarHBondContact O-N 3.01Å; V932-W936 VanDerWaalsContact O-N 3.16Å; V932-M953 HydrophobicContact CG1-CE 3.98Å
933L77.8Confident81.1Confident11 Ų1127.3 Ų27.36%0.05814%0.139CC..THydrogen-bonded Turntrans-67.2-37.3179.6-81.9139.8000113.6P15 F16 V37 D40 S931 V935 W936P15-L933 VanDerWaalsContact CG-O 3.3Å; P15-L933 WeakPolarHBondContact CG-O 3.34Å; F16-L933 HydrophobicContact CE2-CD2 3.79Å; F16-L933 HydrophobicContact CZ-CD2 4.07Å; V37-L933 HydrophobicContact CB-CD1 4.16Å; V37-L933 HydrophobicContact CG2-CD1 3.6Å; V37-L933 HydrophobicContact CG2-CD2 3.96Å; V37-L933 HydrophobicContact CG2-CG 4.43Å; D40-L933 HydrophobicContact CB-CD1 3.68Å; D40-L933 WeakPolarHBondContact OD2-CB 3.49Å; D40-L933 VanDerWaalsContact OD2-CD1 3.3Å; D40-L933 WeakPolarHBondContact OD2-CD1 3.42Å; S931-L933 PolarHBondContact O-N 3.31Å; S931-L933 VanDerWaalsContact O-N 3.09Å; L933-V935 PolarHBondContact O-N 3.09Å; L933-V935 VanDerWaalsContact O-N 3.14Å; L933-W936 HydrophobicContact CD2-CD2 4.32Å; L933-W936 HydrophobicContact CD2-CE3 4.05Å; L933-W936 HydrophobicContact CD2-CZ3 4.37Å; L933-W936 HydrophobicContact CG-CE3 3.96Å; L933-W936 HydrophobicContact CG-CZ3 4.25Å; L933-W936 WeakPolarHBondContact O-CB 3.29Å; L933-W936 PolarHBondContact O-N 3.28Å; L933-W936 VanDerWaalsContact O-N 3.1Å
934N75.7Confident80.5Confident25 Ų2528.6 Ų28.613%0.13415%0.149CC..THydrogen-bonded Turntrans-57.3-32.3177.6-63.2-9.1000112.5R44 T775 F777 T782 S931R44-N934 PolarHBondContact NH2-OD1 2.61Å; T775-N934 PolarHBondContact OG1-ND2 3.48Å; F777-N934 WeakPolarHBondContact CD2-OD1 3.44Å; T782-N934 PolarHBondContact OG1-ND2 3.17Å; S931-N934 PolarHBondContact O-N 2.92Å; S931-N934 PolarHBondContact OG-ND2 3.1Å; S931-N934 PolarHBondContact OG-OD1 3.42Å
935V79.1Confident79.3Confident6 Ų635 Ų354%0.03618%0.18CC..THydrogen-bonded Turntrans-104.32.6-176.7-63.60000112.9T775 V784 L928 V932 L933 R938 I939 L983T775-V935 HydrophobicContact CG2-CG1 3.78Å; V784-V935 HydrophobicContact CG1-CG2 4.18Å; V784-V935 HydrophobicContact CG2-CG1 4.27Å; V784-V935 HydrophobicContact CG2-CG2 4.11Å; L928-V935 HydrophobicContact CD2-CG2 4.48Å; V932-V935 VanDerWaalsContact O-CG2 3.25Å; V932-V935 WeakPolarHBondContact O-CG2 3.48Å; V932-V935 PolarHBondContact O-N 2.91Å; L933-V935 PolarHBondContact O-N 3.09Å; L933-V935 VanDerWaalsContact O-N 3.14Å; V935-R938 CarbonylContact O-C 3.54Å; V935-R938 WeakPolarHBondContact O-CB 3.46Å; V935-R938 PolarHBondContact O-N 2.75Å; V935-I939 HydrophobicContact CB-CD1 3.95Å; V935-I939 HydrophobicContact CG2-CD1 3.72Å; V935-I939 WeakPolarHBondContact O-CB 3.45Å; V935-I939 WeakPolarHBondContact O-CG1 3.16Å; V935-I939 PolarHBondContact O-N 3.44Å; V935-L983 HydrophobicContact CB-CD2 3.95Å; V935-L983 HydrophobicContact CG1-CD2 3.63Å; V935-L983 HydrophobicContact CG2-CD2 4.14Å
936W77.9Confident77.9Confident6 Ų640.4 Ų40.42%0.02320%0.2CC..Hα-helixtrans-64.5-53.1-169.7-168-75.4000112.8A33 L36 V932 L933 R938 I939 E940 M953A33-W936 HydrophobicContact CB-CH2 3.96Å; A33-W936 HydrophobicContact CB-CZ2 4.06Å; L36-W936 HydrophobicContact CB-CH2 4.33Å; L36-W936 HydrophobicContact CB-CZ3 3.99Å; L36-W936 HydrophobicContact CD1-CH2 3.79Å; L36-W936 HydrophobicContact CD1-CZ3 3.58Å; L36-W936 HydrophobicContact CG-CZ3 4.43Å; V932-W936 HydrophobicContact CG1-CE3 4.06Å; V932-W936 HydrophobicContact CG1-CZ3 4.4Å; V932-W936 PolarHBondContact O-N 3.01Å; V932-W936 VanDerWaalsContact O-N 3.16Å; L933-W936 HydrophobicContact CD2-CD2 4.32Å; L933-W936 HydrophobicContact CD2-CE3 4.05Å; L933-W936 HydrophobicContact CD2-CZ3 4.37Å; L933-W936 HydrophobicContact CG-CE3 3.96Å; L933-W936 HydrophobicContact CG-CZ3 4.25Å; L933-W936 WeakPolarHBondContact O-CB 3.29Å; L933-W936 PolarHBondContact O-N 3.28Å; L933-W936 VanDerWaalsContact O-N 3.1Å; W936-R938 PolarHBondContact O-N 2.93Å; W936-I939 PolarHBondContact O-N 2.63Å; W936-E940 WeakPolarHBondContact O-CB 3.33Å; W936-E940 PolarHBondContact O-N 2.8Å; W936-M953 HydrophobicContact CD2-CE 3.66Å; W936-M953 HydrophobicContact CE3-CE 3.37Å; W936-M953 HydrophobicContact CH2-CE 3.67Å; W936-M953 HydrophobicContact CZ2-CE 3.95Å; W936-M953 HydrophobicContact CZ3-CE 3.38Å
937A74.1Confident76.1Confident49 Ų4940.1 Ų40.141%0.40520%0.202SC..Hα-helixtrans-61.8-30.3176.300000112.2P15 P941P15-A937 HydrophobicContact CB-CB 4.23Å; A937-P941 VanDerWaalsContact O-CD 3.22Å; A937-P941 WeakPolarHBondContact O-CD 3.46Å
938R78Confident74.1Confident88 Ų8848.7 Ų48.733%0.33225%0.247SC..Hα-helixtrans-75.5-19.1174.8-76.1174.862.5160.3-3.4113.9V935 W936 F942 C982 L985V935-R938 CarbonylContact O-C 3.54Å; V935-R938 WeakPolarHBondContact O-CB 3.46Å; V935-R938 PolarHBondContact O-N 2.75Å; W936-R938 PolarHBondContact O-N 2.93Å; R938-F942 WeakPolarHBondContact O-CD2 3.29Å; R938-F942 VanDerWaalsContact O-CE2 3.24Å; R938-F942 WeakPolarHBondContact O-CE2 3.33Å; R938-C982 PolarHBondContact NH2-O 3.45Å; R938-C982 PolarHBondContact O-SG 2.88Å; R938-L985 PolarHBondContact NH2-O 3.25Å
939I81.2Confident72.2Confident2 Ų252.8 Ų52.81%0.0128%0.276CS..Hα-helixtrans-106.2-32.1-176-73.9175.4000112.2L928 V935 W936 F942 L943 V979 L983L928-I939 HydrophobicContact CD2-CD1 3.49Å; L928-I939 VanDerWaalsContact CD2-CD1 3.49Å; V935-I939 HydrophobicContact CB-CD1 3.95Å; V935-I939 HydrophobicContact CG2-CD1 3.72Å; V935-I939 WeakPolarHBondContact O-CB 3.45Å; V935-I939 WeakPolarHBondContact O-CG1 3.16Å; V935-I939 PolarHBondContact O-N 3.44Å; W936-I939 PolarHBondContact O-N 2.63Å; I939-F942 PolarHBondContact O-N 3.25Å; I939-L943 HydrophobicContact CG2-CD1 3.92Å; I939-L943 HydrophobicContact CG2-CG 4.13Å; I939-L943 PolarHBondContact O-N 2.81Å; I939-V979 HydrophobicContact CD1-CG1 3.97Å; I939-V979 HydrophobicContact CG1-CG1 4.42Å; I939-V979 HydrophobicContact CG1-CG2 4.44Å; I939-V979 HydrophobicContact CG2-CG2 3.99Å; I939-L983 HydrophobicContact CD1-CD2 4.18Å; I939-L983 HydrophobicContact CD1-CG 4.36Å
940E76.2Confident70.3Confident41 Ų4157.8 Ų57.819%0.19231%0.311CS..Hα-helixtrans-50.4-47.4-179.1163.6147.6-134.100114.8R29 W936 F942 L943 Q944R29-E940 IonicContact CZ-OE1 2.71Å; R29-E940 IonicContact CZ-OE2 3.81Å; R29-E940 IonicContact NE-OE1 2.66Å; R29-E940 IonicContact NH2-OE1 3.25Å; R29-E940 PolarHBondContact NH2-OE1 3.43Å; R29-E940 IonicContact NH2-OE2 3.62Å; R29-E940 PolarHBondContact NH2-OE2 3.48Å; W936-E940 WeakPolarHBondContact O-CB 3.33Å; W936-E940 PolarHBondContact O-N 2.8Å; E940-F942 VanDerWaalsContact C-N 3.3Å; E940-F942 PolarHBondContact O-N 3.44Å; E940-L943 PolarHBondContact O-N 3.22Å; E940-L943 VanDerWaalsContact O-N 3.08Å; E940-Q944 HydrophobicContact CG-CG 4.24Å; E940-Q944 WeakPolarHBondContact O-CG 3.32Å; E940-Q944 PolarHBondContact O-N 3.32Å; E940-Q944 PolarHBondContact OE1-NE2 2.93Å
941P76.7Confident69Low61 Ų6164 Ų6440%0.39633%0.331SS..Hα-helixtrans-56.8-40.6179.4-27.435.9000113.3A937 L943 Q944 M945A937-P941 VanDerWaalsContact O-CD 3.22Å; A937-P941 WeakPolarHBondContact O-CD 3.46Å; P941-L943 VanDerWaalsContact C-N 3.31Å; P941-L943 PolarHBondContact O-N 2.86Å; P941-Q944 PolarHBondContact O-N 3.33Å; P941-M945 WeakPolarHBondContact O-CB 3.29Å; P941-M945 WeakPolarHBondContact O-CG 3.33Å; P941-M945 PolarHBondContact O-N 2.82Å
942F77Confident67.9Low72 Ų7266.2 Ų66.232%0.31635%0.346SS..Hα-helixtrans-67.5-31.7179.3-56.8-64000112.8R938 I939 E940 C975 D978 C982R938-F942 WeakPolarHBondContact O-CD2 3.29Å; R938-F942 VanDerWaalsContact O-CE2 3.24Å; R938-F942 WeakPolarHBondContact O-CE2 3.33Å; I939-F942 PolarHBondContact O-N 3.25Å; E940-F942 VanDerWaalsContact C-N 3.3Å; E940-F942 PolarHBondContact O-N 3.44Å; F942-C975 PolarHBondContact O-SG 2.99Å; F942-C975 VanDerWaalsContact O-SG 3.38Å; F942-D978 HydrophobicContact CB-CB 4.29Å; F942-D978 HydrophobicContact CD1-CB 3.72Å; F942-D978 HydrophobicContact CE1-CB 4.18Å; F942-D978 HydrophobicContact CG-CB 3.93Å; F942-C982 HydrophobicContact CE2-CB 3.82Å
943L73Confident67.1Low19 Ų1966.7 Ų66.710%0.09935%0.349CS..Hα-helixtrans-74.6-39175.5-61.1178.6000111.8I939 E940 P941 M953 P972 C975I939-L943 HydrophobicContact CG2-CD1 3.92Å; I939-L943 HydrophobicContact CG2-CG 4.13Å; I939-L943 PolarHBondContact O-N 2.81Å; E940-L943 PolarHBondContact O-N 3.22Å; E940-L943 VanDerWaalsContact O-N 3.08Å; P941-L943 VanDerWaalsContact C-N 3.31Å; P941-L943 PolarHBondContact O-N 2.86Å; L943-M953 HydrophobicContact CD1-CB 4.24Å; L943-M953 HydrophobicContact CD1-CG 4.08Å; L943-M953 HydrophobicContact CD1-SD 3.65Å; L943-P972 HydrophobicContact CD2-CG 4.25Å; L943-C975 HydrophobicContact CD2-CB 4.13Å
944Q68.5Low66.7Low117 Ų11768.8 Ų68.855%0.54736%0.358SS..Hα-helixtrans-71-50.7178.9-67.2-170.113.700112.2E940 P941 R946 S947E940-Q944 HydrophobicContact CG-CG 4.24Å; E940-Q944 WeakPolarHBondContact O-CG 3.32Å; E940-Q944 PolarHBondContact O-N 3.32Å; E940-Q944 PolarHBondContact OE1-NE2 2.93Å; P941-Q944 PolarHBondContact O-N 3.33Å; Q944-R946 PolarHBondContact O-N 2.94Å; Q944-S947 PolarHBondContact O-N 2.98Å
945M61.1Low66.7Low167 Ų16767.6 Ų67.682%0.82335%0.352SS*.THydrogen-bonded Turntrans-62.3-16.6-170.8-74.6-166.684.800115.7P941P941-M945 WeakPolarHBondContact O-CB 3.29Å; P941-M945 WeakPolarHBondContact O-CG 3.33Å; P941-M945 PolarHBondContact O-N 2.82Å
946R57.6Low66.5Low129 Ų12967.3 Ų67.349%0.48735%0.35SS..THydrogen-bonded Turntrans-119.55.7-174.9-64.9-169.1-174.7149.314.3115.2Q944 E974 D978Q944-R946 PolarHBondContact O-N 2.94Å; R946-E974 PolarHBondContact NH1-O 2.81Å; R946-D978 IonicContact CZ-OD1 2.74Å; R946-D978 VanDerWaalsContact CZ-OD1 3.3Å; R946-D978 IonicContact CZ-OD2 3.63Å; R946-D978 IonicContact NH1-OD1 2.75Å; R946-D978 PolarHBondContact NH1-OD1 3.4Å; R946-D978 VanDerWaalsContact NH1-OD1 3.12Å; R946-D978 IonicContact NH1-OD2 2.7Å; R946-D978 PolarHBondContact NH1-OD2 2.93Å; R946-D978 IonicContact NH2-OD1 3.54Å; R946-D978 PolarHBondContact NH2-OD1 3.23Å; R946-D978 IonicContact NH2-OD2 3.61Å
947S51.2Low66.5Low17 Ų1768.7 Ų68.712%0.11936%0.355CS..  trans-124.2105177.5-63.30000111.8Q944 S949 R951Q944-S947 PolarHBondContact O-N 2.98Å; S947-S949 CarbonylContact C-O 3.24Å; S947-S949 WeakPolarHBondContact CB-O 3.44Å; S947-S949 CarbonylContact O-C 3.54Å; S947-S949 PolarHBondContact O-N 3Å; S947-R951 PolarHBondContact OG-NH1 3.42Å
948N47.6Very low66.8Low180 Ų18066.6 Ų66.696%0.96334%0.337SS*.SBendtrans-63.7-18.2175.9-69.518.6000113.7
949S49.7Very low66.9Low86 Ų8667.7 Ų67.760%0.60134%0.344SS*.SBendtrans-92.5136.2161.4-62.50000108.8S947 R951S947-S949 CarbonylContact C-O 3.24Å; S947-S949 WeakPolarHBondContact CB-O 3.44Å; S947-S949 CarbonylContact O-C 3.54Å; S947-S949 PolarHBondContact O-N 3Å; S949-R951 PolarHBondContact O-N 2.9Å
950S48.8Very low66.8Low119 Ų11967.7 Ų67.783%0.83235%0.345SS*.  trans-6670173.756.80000112C952S950-C952 PolarHBondContact O-N 2.95Å
951R55.2Low66.9Low140 Ų14070.2 Ų70.253%0.52836%0.355SS..  trans-68.399177.8-68.4178.5-176161.7-10.9108.7S947 S949 E974S947-R951 PolarHBondContact OG-NH1 3.42Å; S949-R951 PolarHBondContact O-N 2.9Å; R951-E974 IonicContact CZ-OE1 2.76Å; R951-E974 IonicContact NH1-OE1 3.8Å; R951-E974 PolarHBondContact NH1-OE1 2.82Å; R951-E974 IonicContact NH2-OE1 3.21Å
952C57.3Low66.9Low52 Ų5272.2 Ų72.235%0.35136%0.362SS..  trans-53.6145.3162.9-173.40000109.1R29 S950 Q954R29-C952 VanDerWaalsContact CB-SG 3.55Å; R29-C952 PolarHBondContact O-SG 3.28Å; R29-C952 VanDerWaalsContact O-SG 3.34Å; S950-C952 PolarHBondContact O-N 2.95Å; C952-Q954 VanDerWaalsContact C-N 3.29Å; C952-Q954 PolarHBondContact O-N 3.15Å
953M65.2Low66.8Low14 Ų1470.4 Ų70.47%0.06936%0.364CS..  trans-71.784-177.7-175.816769.200110.1V932 W936 L943 V955 S969 I971V932-M953 HydrophobicContact CG1-CE 3.98Å; W936-M953 HydrophobicContact CD2-CE 3.66Å; W936-M953 HydrophobicContact CE3-CE 3.37Å; W936-M953 HydrophobicContact CH2-CE 3.67Å; W936-M953 HydrophobicContact CZ2-CE 3.95Å; W936-M953 HydrophobicContact CZ3-CE 3.38Å; L943-M953 HydrophobicContact CD1-CB 4.24Å; L943-M953 HydrophobicContact CD1-CG 4.08Å; L943-M953 HydrophobicContact CD1-SD 3.65Å; M953-V955 PolarHBondContact O-N 2.96Å; M953-S969 WeakPolarHBondContact CE-OG 3.42Å; M953-S969 VanDerWaalsContact CG-CB 3.44Å; M953-I971 HydrophobicContact SD-CD1 4.47Å
954Q70.5Confident67.1Low54 Ų5476 Ų7625%0.25239%0.387SS..  trans-58.1128-169.3-175.6168.840.900112.2L756 C952 V956 L970L756-Q954 HydrophobicContact CB-CG 4.27Å; C952-Q954 VanDerWaalsContact C-N 3.29Å; C952-Q954 PolarHBondContact O-N 3.15Å; Q954-V956 PolarHBondContact O-N 3.29Å; Q954-L970 PolarHBondContact O-N 2.67Å
955V74.1Confident67.6Low1 Ų176.6 Ų76.61%0.00639%0.385CS..EExtended strand (participates in β ladder)trans-71.4130.1172.6-173.80000108.9G32 L36 I755 L756 M953 I967G32-V955 VanDerWaalsContact CA-CG2 3.42Å; G32-V955 WeakPolarHBondContact O-CG2 3.49Å; L36-V955 HydrophobicContact CD1-CG2 3.84Å; L36-V955 HydrophobicContact CD2-CG2 4.45Å; L36-V955 HydrophobicContact CG-CG2 3.85Å; I755-V955 HydrophobicContact CG2-CG1 4.3Å; L756-V955 PolarHBondContact N-O 2.88Å; M953-V955 PolarHBondContact O-N 2.96Å; V955-I967 HydrophobicContact CG1-CG2 3.95Å
956V76.4Confident68.5Low0 Ų069.5 Ų69.50%035%0.35CS..EExtended strand (participates in β ladder)trans-115134.1172.9157.20000108.7L756 L758 V927 Q954 L958 I967 G968 L970L756-V956 HydrophobicContact CB-CG2 3.98Å; L756-V956 HydrophobicContact CD2-CG2 4.12Å; L756-V956 HydrophobicContact CG-CG2 4.31Å; L756-V956 WeakPolarHBondContact O-CA 3.44Å; L758-V956 HydrophobicContact CD1-CG1 3.52Å; L758-V956 HydrophobicContact CD1-CG2 4.33Å; L758-V956 HydrophobicContact CG-CG1 3.8Å; L758-V956 HydrophobicContact CG-CG2 4.39Å; V927-V956 HydrophobicContact CG1-CG1 4.33Å; V927-V956 HydrophobicContact CG2-CB 4.41Å; V927-V956 HydrophobicContact CG2-CG1 3.9Å; Q954-V956 PolarHBondContact O-N 3.29Å; V956-L958 HydrophobicContact CG1-CB 4.41Å; V956-L958 HydrophobicContact CG1-CD2 3.99Å; V956-I967 WeakPolarHBondContact O-CA 3.41Å; V956-G968 PolarHBondContact N-O 2.89Å; V956-G968 PolarHBondContact O-N 3.42Å; V956-L970 HydrophobicContact CG2-CB 3.86Å; V956-L970 HydrophobicContact CG2-CD1 4.4Å; V956-L970 HydrophobicContact CG2-CD2 4.47Å; V956-L970 HydrophobicContact CG2-CG 4.47Å
957R76.5Confident69.5Low34 Ų3465.5 Ų65.513%0.12834%0.338CS..EExtended strand (participates in β ladder)trans-116.8134.2168.5177.9165.167-159.4-0.9107.8I755 L756 D757 L758 I966 I967I755-R957 VanDerWaalsContact CD1-NH1 3.31Å; I755-R957 HydrophobicContact CG2-CB 3.5Å; I755-R957 VanDerWaalsContact CG2-CB 3.5Å; L756-R957 PolarHBondContact O-N 2.88Å; L756-R957 VanDerWaalsContact O-N 3.08Å; D757-R957 CarbonylContact C-O 3.55Å; D757-R957 WeakPolarHBondContact CA-O 3.38Å; D757-R957 WeakPolarHBondContact OD1-CB 3.45Å; D757-R957 WeakPolarHBondContact OD1-CG 3.42Å; D757-R957 IonicContact OD1-CZ 3.97Å; D757-R957 IonicContact OD1-NE 2.61Å; D757-R957 PolarHBondContact OD1-NE 3.01Å; D757-R957 IonicContact OD1-NH2 2.74Å; D757-R957 PolarHBondContact OD1-NH2 3.19Å; D757-R957 IonicContact OD2-CZ 2.8Å; D757-R957 IonicContact OD2-NE 2.7Å; D757-R957 IonicContact OD2-NH2 2.92Å; D757-R957 PolarHBondContact OD2-NH2 3.39Å; L758-R957 PolarHBondContact N-O 3.28Å; R957-I966 WeakPolarHBondContact CA-O 3.48Å; R957-I967 HydrophobicContact CB-CG1 4.18Å; R957-I967 HydrophobicContact CG-CD1 4.34Å; R957-I967 HydrophobicContact CG-CG1 3.86Å
958L80.2Confident71Confident5 Ų564.7 Ų64.73%0.02633%0.332CS..EExtended strand (participates in β ladder)trans-145.2153-174.173.194000112L758 L765 V789 V927 V956 R965 I966L758-L958 HydrophobicContact CB-CB 4.05Å; L765-L958 HydrophobicContact CD1-CB 3.77Å; L765-L958 HydrophobicContact CD1-CD1 4.44Å; V789-L958 HydrophobicContact CG1-CD1 4.44Å; V789-L958 HydrophobicContact CG2-CD1 4.34Å; V789-L958 HydrophobicContact CG2-CD2 3.88Å; V927-L958 HydrophobicContact CB-CD2 4.34Å; V927-L958 HydrophobicContact CG1-CD2 4.31Å; V927-L958 HydrophobicContact CG2-CD2 3.91Å; V956-L958 HydrophobicContact CG1-CB 4.41Å; V956-L958 HydrophobicContact CG1-CD2 3.99Å; L958-R965 VanDerWaalsContact O-CA 3.31Å; L958-R965 WeakPolarHBondContact O-CA 3.2Å; L958-I966 HydrophobicContact CD1-CB 4.11Å; L958-I966 HydrophobicContact CD1-CD1 4.29Å; L958-I966 HydrophobicContact CD2-CB 4.19Å; L958-I966 HydrophobicContact CD2-CG2 4.3Å; L958-I966 HydrophobicContact CG-CB 3.92Å; L958-I966 PolarHBondContact N-O 2.86Å; L958-I966 PolarHBondContact O-N 3.2Å
959K81.5Confident72.6Confident111 Ų11156.1 Ų56.148%0.48329%0.286SS..EExtended strand (participates in β ladder)trans-122.7120.3171.2-171.3-164.6173.3-1650108.4K964 R965K959-K964 CarbonylContact C-O 3.58Å; K959-K964 WeakPolarHBondContact CA-O 3.37Å; K959-R965 HydrophobicContact CB-CG 4.37Å; K959-R965 HydrophobicContact CG-CG 4.08Å
960S78.8Confident74.3Confident3 Ų354 Ų542%0.02127%0.267CS..  trans-69.2161172.7-1650000111.1D962 G963 K964S960-D962 VanDerWaalsContact CB-OD2 3.23Å; S960-D962 WeakPolarHBondContact CB-OD2 3.48Å; S960-D962 PolarHBondContact O-N 3.2Å; S960-D962 PolarHBondContact OG-OD2 3.28Å; S960-G963 PolarHBondContact O-N 2.84Å; S960-K964 PolarHBondContact N-O 3.22Å
961K77Confident76Confident93 Ų9348.4 Ų48.440%0.40423%0.228SC..THydrogen-bonded Turntrans-45-44.2164.9-74.9166.9-174.91780110.8L765 E766 E792 G963L765-K961 WeakPolarHBondContact O-CG 3.31Å; L765-K961 PolarHBondContact O-N 3.14Å; E766-K961 HydrophobicContact CB-CD 4.36Å; E766-K961 IonicContact OE2-NZ 2.71Å; E766-K961 PolarHBondContact OE2-NZ 2.75Å; E792-K961 IonicContact OE2-NZ 3.78Å; E792-K961 PolarHBondContact OE2-NZ 2.85Å; K961-G963 PolarHBondContact O-N 3.29Å
962D77.8Confident77.2Confident104 Ų10443 Ų4356%0.55621%0.211SC*.THydrogen-bonded Turntrans-70.110.4179.8-10.5-72.7000115.1S960 K964S960-D962 VanDerWaalsContact CB-OD2 3.23Å; S960-D962 WeakPolarHBondContact CB-OD2 3.48Å; S960-D962 PolarHBondContact O-N 3.2Å; S960-D962 PolarHBondContact OG-OD2 3.28Å; D962-K964 PolarHBondContact O-N 3.31Å
963G75.6Confident78.3Confident33 Ų3343.3 Ų43.334%0.3421%0.208SC..SBendtrans75.5-18.8-178.800000115.3S960 K961 R965S960-G963 PolarHBondContact O-N 2.84Å; K961-G963 PolarHBondContact O-N 3.29Å; G963-R965 WeakPolarHBondContact O-CG 3.4Å
964K78.3Confident78.9Confident137 Ų13746.3 Ų46.360%0.59622%0.222SC*.  trans-52.2136.7174-70.6-179.1179.1176.20111.2I767 K959 S960 D962I767-K964 HydrophobicContact CD1-CB 4.43Å; K959-K964 CarbonylContact C-O 3.58Å; K959-K964 WeakPolarHBondContact CA-O 3.37Å; S960-K964 PolarHBondContact N-O 3.22Å; D962-K964 PolarHBondContact O-N 3.31Å
965R78.3Confident79.5Confident130 Ų13043.8 Ų43.849%0.49121%0.21SC..EExtended strand (participates in β ladder)trans-121.3127.5-176.4-67.6157.2-178-75.117.4109.1L958 K959 G963L958-R965 VanDerWaalsContact O-CA 3.31Å; L958-R965 WeakPolarHBondContact O-CA 3.2Å; K959-R965 HydrophobicContact CB-CG 4.37Å; K959-R965 HydrophobicContact CG-CG 4.08Å; G963-R965 WeakPolarHBondContact O-CG 3.4Å
966I81.8Confident80Confident18 Ų1844.2 Ų44.29%0.09221%0.213CC..EExtended strand (participates in β ladder)trans-122.3138.4179.9-68160.1000107.7I767 V927 R957 L958I767-I966 HydrophobicContact CD1-CD1 3.62Å; I767-I966 HydrophobicContact CG1-CD1 4.25Å; V927-I966 HydrophobicContact CG1-CG2 4.09Å; R957-I966 WeakPolarHBondContact CA-O 3.48Å; L958-I966 HydrophobicContact CD1-CB 4.11Å; L958-I966 HydrophobicContact CD1-CD1 4.29Å; L958-I966 HydrophobicContact CD2-CB 4.19Å; L958-I966 HydrophobicContact CD2-CG2 4.3Å; L958-I966 HydrophobicContact CG-CB 3.92Å; L958-I966 PolarHBondContact N-O 2.86Å; L958-I966 PolarHBondContact O-N 3.2Å
967I78.8Confident80.4Confident45 Ų4552 Ų5223%0.23125%0.249CC..EExtended strand (participates in β ladder)trans-122.5134.3167.5-59175.2000106M39 S929 V955 V956 R957M39-I967 HydrophobicContact SD-CB 3.76Å; M39-I967 HydrophobicContact SD-CG2 3.73Å; S929-I967 WeakPolarHBondContact CB-O 3.48Å; V955-I967 HydrophobicContact CG1-CG2 3.95Å; V956-I967 WeakPolarHBondContact O-CA 3.41Å; R957-I967 HydrophobicContact CB-CG1 4.18Å; R957-I967 HydrophobicContact CG-CD1 4.34Å; R957-I967 HydrophobicContact CG-CG1 3.86Å
968G81.1Confident80.8Confident0 Ų052.1 Ų52.10%025%0.252CS..EExtended strand (participates in β ladder)trans177.6177.9-176.800000112.9L928 V956L928-G968 CarbonylContact O-C 3.53Å; L928-G968 WeakPolarHBondContact O-CA 3.35Å; V956-G968 PolarHBondContact N-O 2.89Å; V956-G968 PolarHBondContact O-N 3.42Å
969S82.6Confident81Confident0 Ų051.9 Ų51.90%025%0.251CS..EExtended strand (participates in β ladder)trans-84.5132.5-176.4-67.10000112.8L36 V927 L928 M953 I971L36-S969 VanDerWaalsContact CD1-OG 3.28Å; L36-S969 WeakPolarHBondContact CD1-OG 3.2Å; V927-S969 CarbonylContact C-O 3.55Å; V927-S969 WeakPolarHBondContact CA-O 3.43Å; L928-S969 PolarHBondContact N-O 3.21Å; L928-S969 PolarHBondContact O-N 3.43Å; M953-S969 WeakPolarHBondContact CE-OG 3.42Å; M953-S969 VanDerWaalsContact CG-CB 3.44Å; S969-I971 PolarHBondContact O-N 3.11Å
970L83.7Confident81.3Confident40 Ų4048.1 Ų48.121%0.20924%0.236CC..EExtended strand (participates in β ladder)trans-73.6116.7171.9-174.366.4000110.6Y925 Q954 V956Y925-L970 HydrophobicContact CD1-CD1 4.03Å; Q954-L970 PolarHBondContact O-N 2.67Å; V956-L970 HydrophobicContact CG2-CB 3.86Å; V956-L970 HydrophobicContact CG2-CD1 4.4Å; V956-L970 HydrophobicContact CG2-CD2 4.47Å; V956-L970 HydrophobicContact CG2-CG 4.47Å
971I85.3Confident81.7Confident2 Ų250.5 Ų50.51%0.0126%0.256CS..EExtended strand (participates in β ladder)trans-92.9124174.6-54.3-56000109.1L786 Y926 L928 M953 S969 C975 V976 V979L786-I971 HydrophobicContact CD1-CG1 4.08Å; Y926-I971 PolarHBondContact O-N 2.84Å; L928-I971 HydrophobicContact CB-CD1 4.07Å; L928-I971 HydrophobicContact CB-CG1 3.9Å; L928-I971 HydrophobicContact CD2-CD1 4.12Å; M953-I971 HydrophobicContact SD-CD1 4.47Å; S969-I971 PolarHBondContact O-N 3.11Å; I971-C975 HydrophobicContact CG2-CB 4.26Å; I971-V976 HydrophobicContact CG2-CG2 3.92Å; I971-V979 HydrophobicContact CG2-CB 4.47Å; I971-V979 HydrophobicContact CG2-CG2 4.04Å
972P80.6Confident82.1Confident26 Ų2646.7 Ų46.717%0.16924%0.241CC..PPolyproline II helixtrans-59.9139.7173.2-21.533.1000111.1L943 E974 C975 V976L943-P972 HydrophobicContact CD2-CG 4.25Å; P972-E974 HydrophobicContact CB-CG 3.92Å; P972-E974 VanDerWaalsContact CB-OE2 3.31Å; P972-E974 WeakPolarHBondContact CB-OE2 3.1Å; P972-E974 PolarHBondContact O-N 2.99Å; P972-E974 VanDerWaalsContact O-N 3.13Å; P972-C975 PolarHBondContact O-N 3.07Å; P972-V976 PolarHBondContact O-N 2.9Å
973Q79.9Confident82.4Confident59 Ų5942.5 Ų42.528%0.27622%0.218SC..G310 helixtrans-58.6-32.3-174.9-179.4169.9-42.300112.5Y926 C975 V976Y926-Q973 HydrophobicContact CD2-CB 4.34Å; Y926-Q973 HydrophobicContact CE2-CB 3.98Å; Y926-Q973 HydrophobicContact CE2-CG 3.84Å; Q973-C975 PolarHBondContact O-N 3.22Å; Q973-V976 PolarHBondContact O-N 3.02Å
974E77.8Confident82.8Confident78 Ų7844.8 Ų44.836%0.36423%0.229SC..G310 helixtrans-65.9-11.217559.1-92.9-136.900115.1R946 R951 P972R946-E974 PolarHBondContact NH1-O 2.81Å; R951-E974 IonicContact CZ-OE1 2.76Å; R951-E974 IonicContact NH1-OE1 3.8Å; R951-E974 PolarHBondContact NH1-OE1 2.82Å; R951-E974 IonicContact NH2-OE1 3.21Å; P972-E974 HydrophobicContact CB-CG 3.92Å; P972-E974 VanDerWaalsContact CB-OE2 3.31Å; P972-E974 WeakPolarHBondContact CB-OE2 3.1Å; P972-E974 PolarHBondContact O-N 2.99Å; P972-E974 VanDerWaalsContact O-N 3.13Å
975C82.4Confident82.6Confident0 Ų043.3 Ų43.30%023%0.227CC..G310 helixtrans-114.3-8178.1-570000113.2F942 L943 I971 P972 Q973 Q977 D978 V979F942-C975 PolarHBondContact O-SG 2.99Å; F942-C975 VanDerWaalsContact O-SG 3.38Å; L943-C975 HydrophobicContact CD2-CB 4.13Å; I971-C975 HydrophobicContact CG2-CB 4.26Å; P972-C975 PolarHBondContact O-N 3.07Å; Q973-C975 PolarHBondContact O-N 3.22Å; C975-Q977 VanDerWaalsContact C-N 3.28Å; C975-Q977 PolarHBondContact O-N 2.8Å; C975-D978 PolarHBondContact O-N 3.02Å; C975-V979 WeakPolarHBondContact O-CG2 3.45Å; C975-V979 PolarHBondContact O-N 2.97Å
976V84.7Confident81.8Confident11 Ų1141 Ų417%0.06723%0.229CC..Hα-helixtrans-62-33.3-172168.80000112.8L786 Y926 I971 P972 Q973 L980L786-V976 HydrophobicContact CD2-CG1 4.4Å; Y926-V976 HydrophobicContact CD1-CG1 3.96Å; Y926-V976 HydrophobicContact CD1-CG2 3.84Å; Y926-V976 HydrophobicContact CD2-CG2 3.64Å; Y926-V976 HydrophobicContact CE1-CG1 4.12Å; Y926-V976 HydrophobicContact CE1-CG2 4.37Å; Y926-V976 HydrophobicContact CE2-CG2 4.2Å; Y926-V976 HydrophobicContact CG-CG1 4.41Å; Y926-V976 HydrophobicContact CG-CG2 3.44Å; Y926-V976 VanDerWaalsContact CG-CG2 3.44Å; I971-V976 HydrophobicContact CG2-CG2 3.92Å; P972-V976 PolarHBondContact O-N 2.9Å; Q973-V976 PolarHBondContact O-N 3.02Å; V976-L980 HydrophobicContact CG1-CD1 3.97Å; V976-L980 HydrophobicContact CG1-CG 4.42Å; V976-L980 VanDerWaalsContact O-CB 3.27Å; V976-L980 WeakPolarHBondContact O-CB 3.49Å; V976-L980 WeakPolarHBondContact O-CG 3.5Å; V976-L980 PolarHBondContact O-N 3.46Å
977Q84.8Confident80.5Confident164 Ų16443.1 Ų43.177%0.76624%0.243SC*.Hα-helixtrans-72.5-41179.1-67.3-172.5-5.900111.7C975 L980 A981C975-Q977 VanDerWaalsContact C-N 3.28Å; C975-Q977 PolarHBondContact O-N 2.8Å; Q977-L980 PolarHBondContact O-N 2.86Å; Q977-A981 WeakPolarHBondContact O-CB 3.38Å; Q977-A981 PolarHBondContact O-N 2.91Å
978D85.3Confident79Confident36 Ų3647 Ų4719%0.19327%0.265CS..Hα-helixtrans-69.4-41.4179-39.2-100.9000110.8F942 R946 C975 A981 C982F942-D978 HydrophobicContact CB-CB 4.29Å; F942-D978 HydrophobicContact CD1-CB 3.72Å; F942-D978 HydrophobicContact CE1-CB 4.18Å; F942-D978 HydrophobicContact CG-CB 3.93Å; R946-D978 IonicContact CZ-OD1 2.74Å; R946-D978 VanDerWaalsContact CZ-OD1 3.3Å; R946-D978 IonicContact CZ-OD2 3.63Å; R946-D978 IonicContact NH1-OD1 2.75Å; R946-D978 PolarHBondContact NH1-OD1 3.4Å; R946-D978 VanDerWaalsContact NH1-OD1 3.12Å; R946-D978 IonicContact NH1-OD2 2.7Å; R946-D978 PolarHBondContact NH1-OD2 2.93Å; R946-D978 IonicContact NH2-OD1 3.54Å; R946-D978 PolarHBondContact NH2-OD1 3.23Å; R946-D978 IonicContact NH2-OD2 3.61Å; C975-D978 PolarHBondContact O-N 3.02Å; D978-A981 PolarHBondContact O-N 3.34Å; D978-C982 VanDerWaalsContact O-CB 3.25Å; D978-C982 WeakPolarHBondContact O-CB 3.19Å; D978-C982 PolarHBondContact O-N 2.88Å
979V85.3Confident76.8Confident0 Ų050.8 Ų50.80%029%0.292CS..Hα-helixtrans-62.9-42.6172.5171.50000111.4I939 I971 C975 C982 L983I939-V979 HydrophobicContact CD1-CG1 3.97Å; I939-V979 HydrophobicContact CG1-CG1 4.42Å; I939-V979 HydrophobicContact CG1-CG2 4.44Å; I939-V979 HydrophobicContact CG2-CG2 3.99Å; I971-V979 HydrophobicContact CG2-CB 4.47Å; I971-V979 HydrophobicContact CG2-CG2 4.04Å; C975-V979 WeakPolarHBondContact O-CG2 3.45Å; C975-V979 PolarHBondContact O-N 2.97Å; V979-C982 PolarHBondContact O-N 3.31Å; V979-L983 HydrophobicContact CG1-CD1 3.71Å; V979-L983 HydrophobicContact CG1-CG 4.31Å; V979-L983 WeakPolarHBondContact O-CB 3.38Å; V979-L983 VanDerWaalsContact O-CG 3.25Å; V979-L983 WeakPolarHBondContact O-CG 3.39Å; V979-L983 PolarHBondContact O-N 3.13Å
980L88.2Confident74.5Confident32 Ų3258.1 Ų58.117%0.16833%0.326CS..Hα-helixtrans-63.5-39.8175-81.4173.3000112.8W769 K771 F773 L786 V976 Q977 S984W769-L980 HydrophobicContact CH2-CD1 4.46Å; K771-L980 HydrophobicContact CD-CD2 3.62Å; F773-L980 HydrophobicContact CE2-CD2 4.32Å; F773-L980 HydrophobicContact CZ-CD2 3.81Å; L786-L980 HydrophobicContact CD2-CD2 3.66Å; L786-L980 HydrophobicContact CD2-CG 3.82Å; V976-L980 HydrophobicContact CG1-CD1 3.97Å; V976-L980 HydrophobicContact CG1-CG 4.42Å; V976-L980 VanDerWaalsContact O-CB 3.27Å; V976-L980 WeakPolarHBondContact O-CB 3.49Å; V976-L980 WeakPolarHBondContact O-CG 3.5Å; V976-L980 PolarHBondContact O-N 3.46Å; Q977-L980 PolarHBondContact O-N 2.86Å; L980-S984 WeakPolarHBondContact O-CB 3.26Å; L980-S984 PolarHBondContact O-N 3.05Å; L980-S984 PolarHBondContact O-OG 2.86Å
981A86.3Confident72.2Confident53 Ų5365 Ų6544%0.43836%0.356SS..Hα-helixtrans-65.3-50175.700000110.7Q977 D978 L983 S984 L985Q977-A981 WeakPolarHBondContact O-CB 3.38Å; Q977-A981 PolarHBondContact O-N 2.91Å; D978-A981 PolarHBondContact O-N 3.34Å; A981-L983 PolarHBondContact O-N 2.75Å; A981-S984 PolarHBondContact O-N 2.73Å; A981-S984 PolarHBondContact O-OG 3.08Å; A981-L985 PolarHBondContact O-N 3.38Å
982C85.2Confident69.4Low13 Ų1371.5 Ų71.59%0.08840%0.397CS..Hα-helixtrans-57.6-44.5179-177.80000112.8R938 F942 D978 V979 S984 L985R938-C982 PolarHBondContact NH2-O 3.45Å; R938-C982 PolarHBondContact O-SG 2.88Å; F942-C982 HydrophobicContact CE2-CB 3.82Å; D978-C982 VanDerWaalsContact O-CB 3.25Å; D978-C982 WeakPolarHBondContact O-CB 3.19Å; D978-C982 PolarHBondContact O-N 2.88Å; V979-C982 PolarHBondContact O-N 3.31Å; C982-S984 VanDerWaalsContact C-N 3.27Å; C982-S984 PolarHBondContact O-N 2.85Å; C982-L985 PolarHBondContact O-N 3.35Å
983L85Confident66.8Low16 Ų1674.6 Ų74.68%0.08442%0.419CS..Hα-helixtrans-70-21.2177.1-70.6171.7000113.5F773 V784 L928 V935 I939 V979 A981F773-L983 HydrophobicContact CB-CB 4.45Å; F773-L983 HydrophobicContact CD1-CB 3.73Å; F773-L983 WeakPolarHBondContact CD1-O 3.39Å; F773-L983 HydrophobicContact CD2-CB 3.87Å; F773-L983 HydrophobicContact CD2-CD1 3.86Å; F773-L983 HydrophobicContact CD2-CG 4.35Å; F773-L983 HydrophobicContact CE1-CB 3.79Å; F773-L983 HydrophobicContact CE2-CB 3.94Å; F773-L983 HydrophobicContact CE2-CD1 3.81Å; F773-L983 HydrophobicContact CG-CB 3.76Å; F773-L983 HydrophobicContact CZ-CB 3.89Å; F773-L983 HydrophobicContact CZ-CD1 4.44Å; V784-L983 HydrophobicContact CG1-CD2 4.22Å; L928-L983 HydrophobicContact CD1-CD1 3.78Å; V935-L983 HydrophobicContact CB-CD2 3.95Å; V935-L983 HydrophobicContact CG1-CD2 3.63Å; V935-L983 HydrophobicContact CG2-CD2 4.14Å; I939-L983 HydrophobicContact CD1-CD2 4.18Å; I939-L983 HydrophobicContact CD1-CG 4.36Å; V979-L983 HydrophobicContact CG1-CD1 3.71Å; V979-L983 HydrophobicContact CG1-CG 4.31Å; V979-L983 WeakPolarHBondContact O-CB 3.38Å; V979-L983 VanDerWaalsContact O-CG 3.25Å; V979-L983 WeakPolarHBondContact O-CG 3.39Å; V979-L983 PolarHBondContact O-N 3.13Å; A981-L983 PolarHBondContact O-N 2.75Å
984S83Confident64.3Low81 Ų8175.7 Ų75.757%0.56643%0.433SS*.Hα-helixtrans-86.9-7.3178.669.80000114.8L980 A981 C982L980-S984 WeakPolarHBondContact O-CB 3.26Å; L980-S984 PolarHBondContact O-N 3.05Å; L980-S984 PolarHBondContact O-OG 2.86Å; A981-S984 PolarHBondContact O-N 2.73Å; A981-S984 PolarHBondContact O-OG 3.08Å; C982-S984 VanDerWaalsContact C-N 3.27Å; C982-S984 PolarHBondContact O-N 2.85Å
985L74.9Confident62.1Low105 Ų10577.4 Ų77.455%0.5545%0.453SS..SBendtrans-81.9130.7176.9-72.2168000110.8R938 A981 C982R938-L985 PolarHBondContact NH2-O 3.25Å; A981-L985 PolarHBondContact O-N 3.38Å; C982-L985 PolarHBondContact O-N 3.35Å
986P60.5Low59.5Low83 Ų8382.4 Ų82.454%0.53948%0.48SS..  trans-60.3150.1179.327.4-35000111D988P986-D988 VanDerWaalsContact C-N 3.33Å; P986-D988 PolarHBondContact O-N 3.09Å
987P55.4Low57Low61 Ų6187.1 Ų87.140%0.39651%0.505SS..THydrogen-bonded Turntrans-74.4-15.8-166.224.2-28.4000115.3W776W776-P987 VanDerWaalsContact CD1-CG 3.46Å
988D46.7Very low54.5Low126 Ų12686.6 Ų86.667%0.67451%0.507SS*.THydrogen-bonded Turntrans-102.97.9-162.6-48.4-68.4000115.7P986 E990P986-D988 VanDerWaalsContact C-N 3.33Å; P986-D988 PolarHBondContact O-N 3.09Å; D988-E990 PolarHBondContact O-N 2.86Å
989S36.1Very low52.1Low81 Ų8192.3 Ų92.357%0.56654%0.537SS*.THydrogen-bonded Turntrans-85.2-0.8-166.7630000117.2
990E33.7Very low49.7Very low153 Ų153100.5 Ų100.572%0.71557%0.573SS**THydrogen-bonded Turntrans-110.30.7-170-65-168.6152.800115.3D988 T992D988-E990 PolarHBondContact O-N 2.86Å; E990-T992 VanDerWaalsContact C-N 3.26Å; E990-T992 PolarHBondContact O-N 3.46Å
991H34.4Very low47.2Very low184 Ų184107.8 Ų107.885%0.85260%0.603SS**THydrogen-bonded Turntrans-76.92.8179.9-84.3-62.2000115.8
992T27.2Very low44.6Very low140 Ų140114.7 Ų114.786%0.85962%0.624SS**THydrogen-bonded Turntrans-145.15417258.90000114.5E990E990-T992 VanDerWaalsContact C-N 3.26Å; E990-T992 PolarHBondContact O-N 3.46Å
993S25.3Very low41.8Very low91 Ų91118 Ų11864%0.63666%0.659SS**SBendtrans-150.3129.915960.60000112.8
994S28.3Very low39.2Very low82 Ų82125.2 Ų125.257%0.57370%0.697SS**  trans-56.4151.8176.152.80000113.3D996S994-D996 PolarHBondContact O-N 3.03Å
995S30.4Very low36.7Very low113 Ų113126.8 Ų126.879%0.7971%0.706SS**SBendtrans-60.40.3-171.239.80000117.4
996D29.7Very low34.7Very low105 Ų105131.2 Ų131.256%0.56172%0.723SS**  trans-109.514.5-150-49.6-17.1000113.9S994S994-D996 PolarHBondContact O-N 3.03Å
997N30.8Very low33.5Very low110 Ų110137.2 Ų137.259%0.58874%0.741SS**SBendtrans-123.1-2-169.1-84.9-56.5000116.7
998L33.4Very low32.1Very low154 Ų154143 Ų14381%0.80676%0.763SS**SBendtrans-79.9-27.7-179.6-94.7162.3000114.2K1000L998-K1000 VanDerWaalsContact C-N 3.26Å; L998-K1000 PolarHBondContact O-N 3.29Å
999D34.9Very low31.4Very low155 Ų155145.8 Ų145.883%0.82977%0.771SS**G310 helixtrans-70.1-17.5-179.3-67.8-47.8000114.5K1001D999-K1001 VanDerWaalsContact C-N 3.32Å; D999-K1001 PolarHBondContact O-N 3.44Å
1000K33.2Very low31.5Very low172 Ų172147 Ų14775%0.74878%0.78SS**G310 helixtrans-8410.7-169.6-80.2173.4178.81590115.8L998L998-K1000 VanDerWaalsContact C-N 3.26Å; L998-K1000 PolarHBondContact O-N 3.29Å
1001K37.1Very low31.5Very low186 Ų186145.4 Ų145.481%0.80979%0.786SS**G310 helixtrans-117.2-1.9-175-122.4172.8-171.8170.30117.5D999D999-K1001 VanDerWaalsContact C-N 3.32Å; D999-K1001 PolarHBondContact O-N 3.44Å
1002F32.1Very low31.5Very low198 Ų198140.1 Ų140.187%0.86878%0.781SS**SBendtrans-131.977.5173.6-73-78.3000111.4L1004F1002-L1004 PolarHBondContact O-N 3.36Å
1003G26.2Very low31.8Very low81 Ų81139.7 Ų139.784%0.83578%0.778SS**  trans-72.3117.4-176.200000114.2
1004L29.9Very low31.9Very low168 Ų168140.1 Ų140.188%0.8878%0.781SS**  trans-124.4132.8150.8-88.9165.2000107.3F1002F1002-L1004 PolarHBondContact O-N 3.36Å
1005P30.5Very low32.1Very low115 Ų115144.2 Ų144.275%0.74780%0.797SS**  trans-88.3136.2-16233-35.2000113.6
1006H33.4Very low32Very low198 Ų198145.6 Ų145.692%0.91780%0.795SS**  trans-131.1155.9153.4-105.2-100.8000109.5
1007K34.9Very low31.9Very low209 Ų209150.8 Ų150.891%0.90981%0.813SS**  trans-79.6160.7-164.6-74.6-175171.3-172.70114.6
1008E26.3Very low31.6Very low183 Ų183152.2 Ų152.286%0.85582%0.82SS**  trans-84.9156.2-176.4-57.2157.2120.900113.3
1009E32.6Very low31.5Very low183 Ų183153 Ų15386%0.85582%0.824SS**  trans171.197.6144.8-95.9165.3-151.300106.7
1010S36.8Very low31Very low106 Ų106150.2 Ų150.274%0.74182%0.816SS**  56.9133.991.2670000115.4
1011S34.5Very low31.1Very low121 Ų121148.4 Ų148.485%0.84682%0.822SS**  cis-178.6150.5-5.647.80000109.4
1012G33.4Very low30.8Very low72 Ų72147.3 Ų147.374%0.74282%0.819SS**  trans173.977.8174.500000120.5
1013T33.8Very low30.8Very low132 Ų132144 Ų14481%0.8181%0.81SS**  trans23.1101.1147.453.40000122.2
1014S28.3Very low31Very low100 Ų100146.1 Ų146.170%0.69981%0.808SS**  21.8138.5120.261.10000122.5
1015N31.6Very low31.1Very low168 Ų168145 Ų14590%0.89880%0.803SS**  -155.9147.4126.1-112.4-24.8000112.4
1016N28.4Very low31.2Very low141 Ų141145.2 Ų145.275%0.75480%0.802SS**  trans-96154.9-177.4-66.5-34.4000112.1
1017F27.8Very low31.1Very low214 Ų214141.5 Ų141.594%0.93980%0.795SS**  trans-148.6143.6137.5-114-77.8000110.9
1018I25.4Very low30.8Very low141 Ų141142.5 Ų142.572%0.72379%0.794SS**  trans-112.3142.4-176.8-64166.7000108.5
1019L29.7Very low31.1Very low171 Ų171139.3 Ų139.390%0.89579%0.789SS**  trans-160.2140.9152.1-108.1163.6000110.1
1020S24.4Very low30.9Very low95 Ų95142.5 Ų142.566%0.66479%0.793SS**  trans-146.2142.7177.6-54.20000110.1
1021P35.3Very low30.6Very low134 Ų134141.1 Ų141.187%0.8780%0.795SS**  trans-100.3176.6160.3-1.222.5000112.2
1022H32.2Very low30.5Very low164 Ų164144.7 Ų144.776%0.75980%0.799SS**  trans-123145.9-161.6-110.1-106.5000113.1
1023I30.5Very low30.2Very low129 Ų129146.3 Ų146.366%0.66280%0.799SS**  45.3125.6128.7-69.5-170.7000118
1024P31.7Very low29.9Very low124 Ų124148 Ų14881%0.80580%0.802SS**  -138.3157.582.831.8-13.3000118.6
1025N32.6Very low29.9Very low145 Ų145149 Ų14978%0.77580%0.804SS**  trans-86.2151.5171.8-77.4-54.7000111.7
1026V30.8Very low29.8Very low120 Ų120147.5 Ų147.573%0.72780%0.8SS**  trans-124.8113.3162.4-177.60000109.6
1027P32.2Very low29.7Very low119 Ų119151 Ų15177%0.77380%0.803SS**  trans-91.4136-179.634.1-31.9000112.5
1028W28.4Very low29.9Very low230 Ų230147.2 Ų147.287%0.87180%0.8SS**  trans-106.6151.7170.6-75.586.3000111.6
1029P32.3Very low30.1Very low117 Ų117146 Ų14676%0.7680%0.8SS**  trans-85.5162.1-156.333.1-36.8000115.4G1031P1029-G1031 PolarHBondContact O-N 3.16Å
1030R28.5Very low30.3Very low250 Ų250145.8 Ų145.894%0.94379%0.794SS**  trans-78112.7177.8-60.4-178.3-172.7-173.22.5111.6
1031G31.8Very low30.4Very low76 Ų76150 Ų15078%0.78480%0.803SS**PPolyproline II helixtrans-71.1149.9161.300000111.8P1029P1029-G1031 PolarHBondContact O-N 3.16Å
1032Q30.8Very low30.2Very low197 Ų197148.3 Ų148.392%0.92179%0.794SS**PPolyproline II helixtrans-81.5151.7-173.2-64.4178.9300113.2
1033S26.8Very low30.2Very low106 Ų106149 Ų14974%0.74180%0.795SS**PPolyproline II helixtrans-87.6134175.3-1730000111.3
1034L28.5Very low30.2Very low166 Ų166150 Ų15087%0.86980%0.8SS**  trans-116.6104.2165.6-85.3169.4000109.7
1035T28.2Very low30.1Very low121 Ų121155 Ų15574%0.74281%0.805SS**  trans-79.6122.8177.453.20000111.5
1036V30Very low30Very low137 Ų137153.5 Ų153.583%0.8381%0.805SS**  trans-109.9118.8164.7-1790000108.9
1037R25Very low29.9Very low215 Ų215151.6 Ų151.681%0.81181%0.81SS**  trans-95.5128.7174.2-70.3-178.3175.2-176-1110.3
1038P32.2Very low29.8Very low134 Ų134157.7 Ų157.787%0.8782%0.818SS**  trans-67.5139.2156.9-11.727.9000109.2
1039T30.9Very low29.8Very low117 Ų117152.2 Ų152.272%0.71881%0.812SS**  trans-126.2151.1-177.1-35.10000110.5
1040Q32.8Very low29.9Very low165 Ų165151.9 Ų151.977%0.77181%0.81SS**  trans73.2111.9175.6-54178.818.800113.2
1041Q28Very low29.9Very low185 Ų185145 Ų14586%0.86480%0.8SS**  71.1134.277.2-67.3173.53.600112
1042S30.9Very low29.8Very low98 Ų98150.8 Ų150.869%0.68580%0.804SS**  cis-157.3164.545.473.90000116.8
1043K31.3Very low29.6Very low179 Ų179147.6 Ų147.678%0.77879%0.792SS**  trans64.489150.2-69.8168.9-177.8176.90120.5
1044I30.3Very low29.8Very low148 Ų148150.3 Ų150.376%0.75980%0.798SS**  41.8114.1108.8-55.3159.5000117.4
1045Y29.9Very low29.9Very low231 Ų231150.1 Ų150.191%0.90679%0.793SS**  -152.1139.2118.8-119.4-79.1000110.4
1046S29.4Very low29.7Very low112 Ų112155.5 Ų155.578%0.78380%0.799SS**  trans-115.8132.9-17256.60000112.7
1047G29.8Very low29.9Very low81 Ų81155.2 Ų155.284%0.83580%0.8SS**  trans-144.7118.9170.400000111.6
1048R29.7Very low29.9Very low247 Ų247149.5 Ų149.593%0.93279%0.793SS**PPolyproline II helixtrans-84.8149.8172.6-99.5-172.6173-168-0.5110.8
1049P29.4Very low29.9Very low114 Ų114150 Ų15074%0.7479%0.788SS**PPolyproline II helixtrans-85.6151.9-179.434.8-35.3000112.8
1050P33Very low29.9Very low111 Ų111151.4 Ų151.472%0.72179%0.79SS**PPolyproline II helixtrans-83.1129163.932.7-31000111
1051S28.3Very low29.8Very low105 Ų105151.4 Ų151.473%0.73479%0.794SS**PPolyproline II helixtrans-75.5132.8168.9530000111.2
1052F30Very low29.8Very low198 Ų198153.8 Ų153.887%0.86880%0.795SS**  trans-107.3105163.1-93.9-80.5000111.4
1053I27Very low29.9Very low129 Ų129158.6 Ų158.666%0.66280%0.803SS**  trans-68.1138162.9-66.8164.8000107.8Q1055I1053-Q1055 HydrophobicContact CG2-CG 4.09Å
1054N31.2Very low29.9Very low163 Ų163159 Ų15987%0.87281%0.805SS**  trans-145.8146.8149.3-128.7-34.5000111.3
1055Q30.3Very low30Very low163 Ų163158.9 Ų158.976%0.76281%0.805SS**PPolyproline II helixtrans-100.5153.1-150.5-62171.7-3.700113.4I1053I1053-Q1055 HydrophobicContact CG2-CG 4.09Å
1056R24.4Very low30.1Very low233 Ų233153.2 Ų153.288%0.87980%0.796SS**PPolyproline II helixtrans-86139.2160.5-72.7-178176.5178.2-0.2109.6
1057P34.1Very low30.6Very low131 Ų131153.1 Ų153.185%0.85179%0.793SS**PPolyproline II helixtrans-99.912914632.6-25.8000109.9
1058S25.5Very low30.8Very low96 Ų96158.6 Ų158.667%0.67180%0.796SS**  trans-128.5122170.454.70000109.6
1059N31.9Very low30.8Very low143 Ų143154 Ų15477%0.76579%0.79SS**  trans-152.8126.7165-87-33.4000107
1060I30.2Very low31.1Very low148 Ų148155.2 Ų155.276%0.75980%0.795SS**  61.6112.786.8-58.6172.3000109.4
1061I32.1Very low31Very low165 Ų165152.8 Ų152.885%0.84679%0.791SS**  -146.5164.568.4-74178000113.5
1062R27.9Very low31.1Very low235 Ų235155.2 Ų155.289%0.88780%0.795SS**  trans-85.9152.3-175.1-54.4161.7170.8163.7-6.5116.2
1063K31.9Very low30.9Very low198 Ų198153.4 Ų153.486%0.86179%0.792SS**  -176.8128.4128.8-95158.1-176-178.10108
1064K31.4Very low31Very low187 Ų187158.8 Ų158.881%0.81381%0.805SS**  60123.972.9-80.1-165172.8-168.40111.8
1065I32.7Very low30.8Very low146 Ų146162.6 Ų162.675%0.74981%0.808SS**  cis-153.2156.617.9-89139.5000111.3
1066P32Very low30.7Very low112 Ų112158.8 Ų158.873%0.72781%0.812SS**  trans-111.6-165.3172.543.1-34.3000112.9
1067P40.7Very low30.8Very low111 Ų111152.9 Ų152.972%0.72181%0.806SS**  cis-121.8-174.6-44.936.1-20.1000111.8
1068H33.3Very low30.6Very low195 Ų195153.9 Ų153.990%0.90380%0.804SS**  trans-148158.8159-118.7-90.2000112.9
1069N30.7Very low30.7Very low151 Ų151156.3 Ų156.381%0.80780%0.803SS**  trans-137.1109-162.8-176.726.5000113.3
1070V34.5Very low30.6Very low139 Ų139156.3 Ų156.384%0.84281%0.808SS**  trans-157.4146.2167.8-170.20000105.9
1071G31.1Very low30.3Very low61 Ų61157 Ų15763%0.62981%0.808SS**  cis140.5115.9-1.900000111
1072N29.3Very low30.2Very low155 Ų155154.7 Ų154.783%0.82981%0.806SS**  trans61.9130.3173.7-82.8-7.6000121.5
1073M26.3Very low30.2Very low161 Ų161148.5 Ų148.579%0.79380%0.799SS**  trans36.5122.4134-53.9-178.478.800120.4
1074Y30.3Very low29.8Very low242 Ų242144.4 Ų144.495%0.94980%0.795SS**  -144.4143.8126.3-111.5-77.9000111.7
1075R25.5Very low29.6Very low243 Ų243144.5 Ų144.592%0.91780%0.799SS**  trans-108.7124.4-179.9-170.3-173.3-166.1-172.35.8107.4
1076G29.5Very low29.2Very low83 Ų83145.1 Ų145.186%0.85680%0.798SS**  trans-135105.7-174.400000112.4
1077S25.8Very low28.9Very low108 Ų108151.7 Ų151.776%0.75581%0.809SS**  trans-125.3138.5171.4176.50000108.6
1078L30.3Very low28.1Very low153 Ų153153.5 Ų153.580%0.80180%0.801SS**  trans-148.1118.8157.1-89.5118.3000108.1
1079F27.6Very low27.8Very low147 Ų147151 Ų15165%0.64579%0.788SS**  69.1136.7101.8-81.2-85.2000113.5Q1081F1079-Q1081 HydrophobicContact CD1-CG 4.18Å; F1079-Q1081 HydrophobicContact CE1-CG 4.01Å
1080T29.8Very low27.6Very low143 Ų143145.3 Ų145.388%0.87777%0.765SS**  cis-126.417349.646.90000116.5
1081Q24.2Very low27.3Very low162 Ų162142.2 Ų142.276%0.75775%0.746SS**  trans-119.6138.5175.5-61.4169.3-57.700111F1079F1079-Q1081 HydrophobicContact CD1-CG 4.18Å; F1079-Q1081 HydrophobicContact CE1-CG 4.01Å
1082S30.3Very low27.1Very low117 Ų117142.4 Ų142.482%0.81873%0.733SS**  trans167.2151.5152.354.10000108.2
1083S26.6Very low27Very low104 Ų104143.1 Ų143.173%0.72772%0.724SS**  cis-167.4149-24.544.10000106.7
1084S24.8Very low27.1Very low112 Ų112139.4 Ų139.478%0.78371%0.705SS**  trans-11.6126.8168.6530000119.9
1085E26.6Very low27.2Very low189 Ų189131.9 Ų131.988%0.88368%0.684SS**  -167.9163.4125.2-110.1-178.8-177.700112.2
1086Q23.7Very low27.2Very low160 Ų160127.2 Ų127.275%0.74868%0.677SS**  trans-88.2152.6-171.4-50.992.3-38.700114.4
1087R25.9Very low27.3Very low250 Ų250127.5 Ų127.594%0.94366%0.661SS**  -172.6160.7124.7-97.7149.8-160.1-112.31.6113.5
1088R23.5Very low27.6Very low149 Ų149128.4 Ų128.456%0.56266%0.663SS**  trans-94.8-166-166.6-56.5-171-174.6120.11.7114.5D677D677-R1088 IonicContact OD1-CZ 3.67Å; D677-R1088 IonicContact OD1-NE 3.55Å; D677-R1088 PolarHBondContact OD1-NE 3.22Å; D677-R1088 IonicContact OD1-NH1 2.67Å; D677-R1088 IonicContact OD1-NH2 3.93Å; D677-R1088 PolarHBondContact OD1-NH2 3.38Å; D677-R1088 IonicContact OD2-CZ 3.21Å; D677-R1088 IonicContact OD2-NE 3.42Å; D677-R1088 PolarHBondContact OD2-NE 3.44Å; D677-R1088 IonicContact OD2-NH2 2.61Å; D677-R1088 PolarHBondContact OD2-NH2 2.94Å
1089F26.8Very low27.6Very low142 Ų142127.8 Ų127.862%0.62366%0.66SS**  trans85.8121.4168.6-48.8-71.6000115.5K844K844-F1089 WeakPolarHBondContact CE-O 3.34Å; K844-F1089 PolarHBondContact NZ-O 3.14Å
1090G26.9Very low28Very low32 Ų32131 Ų13133%0.3367%0.674SS.*  cis116.3120.221.100000111.7K844K844-G1090 WeakPolarHBondContact CD-O 3.18Å; K844-G1090 WeakPolarHBondContact CE-O 3.47Å; K844-G1090 VanDerWaalsContact NZ-N 3.16Å; K844-G1090 PolarHBondContact NZ-O 2.83Å
1091T29.5Very low28Very low73 Ų73128.5 Ų128.545%0.44866%0.663SS.*  trans40.6-179.4143.1570000121.5N664 S841N664-T1091 HydrophobicContact CB-CG2 3.47Å; N664-T1091 VanDerWaalsContact CB-CG2 3.47Å; N664-T1091 WeakPolarHBondContact OD1-CG2 3.4Å; S841-T1091 PolarHBondContact OG-O 3.47Å
1092L26.8Very low28.3Very low66 Ų66129 Ų12935%0.34667%0.665SS.*  cis-142.6169.42.9-78.7168.1000110.3M839 R840 S841M839-L1092 WeakPolarHBondContact CB-O 3.16Å; R840-L1092 VanDerWaalsContact O-CB 3.24Å; R840-L1092 WeakPolarHBondContact O-CB 3.24Å; S841-L1092 PolarHBondContact OG-N 2.93Å; S841-L1092 VanDerWaalsContact OG-N 3.12Å
1093R26.5Very low28.3Very low169 Ų169131.2 Ų131.264%0.63867%0.666SS**  trans-125102147.2171.9171.4-113.6167.213.3111R837 M839R837-R1093 PolarHBondContact O-NH2 2.81Å; M839-R1093 HydrophobicContact CB-CB 3.84Å; M839-R1093 HydrophobicContact CB-CG 4.12Å; M839-R1093 HydrophobicContact CE-CB 3.95Å; M839-R1093 HydrophobicContact CE-CG 4.3Å; M839-R1093 HydrophobicContact CG-CB 3.7Å; M839-R1093 HydrophobicContact CG-CG 3.74Å; M839-R1093 HydrophobicContact SD-CB 4.46Å
1094E29.1Very low28.5Very low84 Ų84131.8 Ų131.839%0.39367%0.667SS.*BIsolated β-bridgetrans-106.1-171.2166-153-86.9127.500110.8R840R840-E1094 HydrophobicContact CB-CB 3.73Å; R840-E1094 WeakPolarHBondContact CD-OE2 3.46Å; R840-E1094 IonicContact CZ-OE2 3.62Å; R840-E1094 IonicContact NE-OE2 3.68Å; R840-E1094 IonicContact NH1-OE1 3.4Å; R840-E1094 IonicContact NH1-OE2 2.72Å; R840-E1094 PolarHBondContact NH1-OE2 2.94Å; R840-E1094 PolarHBondContact O-N 2.88Å
1095T30.8Very low28.7Very low84 Ų84131.3 Ų131.352%0.51566%0.664SS.*  trans-109.8-138.7-14476.90000116R840R840-T1095 WeakPolarHBondContact CD-O 3.29Å; R840-T1095 PolarHBondContact NE-O 3.18Å
1096L26.7Very low29Very low145 Ų145131.5 Ų131.576%0.75966%0.664SS**  trans-141.9107162.5-113.1177.5000111.2
1097T30.4Very low29.3Very low88 Ų88128.2 Ų128.254%0.5466%0.659SS.*  trans-149.9138.5178.242.80000108.3R840R840-T1097 PolarHBondContact NH1-OG1 2.88Å; R840-T1097 PolarHBondContact NH2-O 2.89Å
1098T34.1Very low29.5Very low128 Ų128123.9 Ų123.979%0.78566%0.655SS**  trans-118.5120.9179.245.70000111.6
1099D29.8Very low29.7Very low140 Ų140119.6 Ų119.675%0.74966%0.657SS**  trans-8.9141160.7-38.8-48.5000118.2
1100F34.5Very low29.8Very low213 Ų213123.3 Ų123.393%0.93467%0.668SS**  -158.9112.6115.1-99.6-65.6000111.7
1101S29.9Very low29.8Very low92 Ų92129.6 Ų129.664%0.64369%0.689SS**  trans-83.9166.5152.761.70000108.8
1102H30.5Very low29.7Very low172 Ų172130.7 Ų130.780%0.79670%0.699SS**  cis-152.416211.5-105.8-73.3000107.5
1103I32Very low29.8Very low163 Ų163134.2 Ų134.284%0.83672%0.724SS**  trans178.4147.6135.9-97.4156.1000109.7
1104P29.7Very low29.9Very low117 Ų117131.8 Ų131.876%0.7673%0.728SS**  trans-98.1173.9-162.637.8-36.6000116.3
1105S29.2Very low29.9Very low102 Ų102135.6 Ų135.671%0.71375%0.751SS**  trans-49.7147.8178.553.90000117.4
1106H33.6Very low29.8Very low193 Ų193135.7 Ų135.789%0.89476%0.755SS**  -154.1156.5127.3-109.4-73.2000111.6
1107S28.4Very low30Very low90 Ų90137.6 Ų137.663%0.62976%0.759SS**  trans-97.9150-175.956.80000113.3
1108N31.2Very low30Very low160 Ų160137.2 Ų137.286%0.85676%0.761SS**  -179.5156.2123.5-86.1-12.5000110.7
1109G27Very low29.9Very low59 Ų59138.8 Ų138.861%0.60876%0.759SS**  trans-111.5-147.1-17700000114.1
1110Y29.3Very low30.1Very low220 Ų220139.4 Ų139.486%0.86376%0.761SS**  trans72.5140.9-174.1-61-93.6000114.3
1111Q27.1Very low29.9Very low163 Ų163133.6 Ų133.676%0.76275%0.746SS**  cis-158.3-174.1-20.8-135.7176.47.200109.8
1112S26.4Very low30Very low96 Ų96135.3 Ų135.367%0.67175%0.748SS**  trans-36.7153.9171.8-43.70000115.5
1113T29.6Very low30.2Very low141 Ų141131.4 Ų131.487%0.86574%0.74SS**  -164.4168.168.436.10000115.7
1114T28.5Very low30.2Very low118 Ų118133 Ų13372%0.72474%0.741SS**  trans-77154.8172.951.60000114.1
1115L29.8Very low30.3Very low164 Ų164131.2 Ų131.286%0.85974%0.744SS**  -177.5158.7116.9-98.3160.7000114.8
1116S28.6Very low30.4Very low86 Ų86131.1 Ų131.160%0.60175%0.749SS**  trans-86160-174.553.60000115.4
1117Q31.4Very low30.2Very low184 Ų184127.4 Ų127.486%0.8675%0.745SS**  -176.5160.4110-101174.711.800117
1118S29.9Very low30.6Very low81 Ų81128.4 Ų128.457%0.56675%0.75SS**  trans-70.1-175.2-170.239.80000119.6
1119H32.1Very low30.5Very low161 Ų161127.1 Ų127.175%0.74574%0.741SS**  trans96.2145163.5-57.1-71.9000116.8
1120I33.4Very low30.8Very low153 Ų153132.5 Ų132.579%0.78575%0.75SS**  cis-150.1176.94.5-130.1160.3000112.4
1121S31.3Very low30.9Very low91 Ų91127.1 Ų127.164%0.63674%0.744SS**  trans-81.7-168.8178.165.40000113.8
1122D31.8Very low30.9Very low128 Ų128126.9 Ų126.968%0.68475%0.749SS**  cis-158.2-172.118.8-136.6-96.6000107.4
1123S34.9Very low31.2Very low89 Ų89128.9 Ų128.962%0.62276%0.757SS**  cis-159.8148.75.6740000114.4
1124K30.8Very low31Very low197 Ų197127.3 Ų127.386%0.85775%0.751SS**  trans49.1134.2133.1-62170.9-174.1172.10124.5
1125G31.9Very low31.1Very low80 Ų80129.3 Ų129.383%0.82576%0.756SS**  trans119.4142.8141.800000116.3
1126A32.2Very low31Very low100 Ų100131 Ų13183%0.82675%0.751SS**  cis-160179.7-11.400000110.6
1127S27.7Very low31.2Very low115 Ų115134.4 Ų134.480%0.80476%0.763SS**  trans-147.8-167.5-179.1-35.20000109.3
1128P37.7Very low31Very low111 Ų111134.5 Ų134.572%0.72176%0.76SS**  cis-136.6-155.7-24.727.4-2.6000113.9
1129I28.3Very low31.1Very low133 Ų133134.1 Ų134.168%0.68277%0.769SS**  trans88.8145.7152.5-29-177.2000120.7
1130H33.4Very low31Very low172 Ų172132.3 Ų132.380%0.79678%0.775SS**  trans87.5141163.3-63-65.3000118.3
1131S32.8Very low30.7Very low106 Ų106130.8 Ų130.874%0.74177%0.773SS**  cis-159.5166.9-8.547.10000112.8
1132N26.3Very low30.7Very low159 Ų159137.6 Ų137.685%0.8579%0.785SS**  trans-70.6148.5176.7-70.2-35.2000113.8
1133T32.1Very low30.5Very low138 Ų138138.5 Ų138.585%0.84779%0.789SS**  trans-155.7147138.6-21.50000112.1
1134S25.8Very low30.3Very low107 Ų107141.2 Ų141.275%0.74880%0.796SS**  trans-129.2128.1176.7146.10000109.6
1135I32Very low30.4Very low161 Ų161137 Ų13783%0.82679%0.791SS**  trans-134.2141.9169.5-63.2-175.5000109.5
1136R27.1Very low30.3Very low199 Ų199140.3 Ų140.375%0.75179%0.79SS**  trans-97.2156.1-177.6-59.5169.2173.1166.3-5.3111.5F1138R1136-F1138 HydrophobicContact CB-CD2 4.5Å
1137N31.7Very low30.2Very low158 Ų158142.2 Ų142.285%0.84579%0.792SS**  trans-166.4118134.5-88.5-29.6000107.4
1138F27.4Very low30.4Very low185 Ų185146.4 Ų146.481%0.81180%0.796SS**  77.8122.358.7-93.8-75.1000115.8R1136R1136-F1138 HydrophobicContact CB-CD2 4.5Å
1139G31.7Very low30.1Very low73 Ų73147.5 Ų147.575%0.75380%0.8SS**  trans111.7128.317400000113.6
1140S31Very low30.3Very low123 Ų123144.9 Ų144.986%0.8681%0.805SS**  cis-154.4167.2-12.6-160.20000111
1141T26.7Very low30.2Very low121 Ų121142 Ų14274%0.74281%0.805SS**  trans-98.3150.7-169.449.60000115.2
1142R30.7Very low30.1Very low235 Ų235148.2 Ų148.289%0.88781%0.812SS**  trans160.1149.7143.6-88.8153.8-167.6-136.41.9108.5
1143L28.1Very low30.3Very low147 Ų147148.4 Ų148.477%0.7781%0.812SS**  cis167.8153.5-24.1-116.3170.5000104.2
1144N30.8Very low30.3Very low146 Ų146149 Ų14978%0.78181%0.81SS**  trans68.4147176.4-57.66.7000115.9
1145S31.9Very low30.5Very low108 Ų108148.4 Ų148.476%0.75581%0.812SS**  cis-163.6165.5-16.944.80000111
1146N29.7Very low30.4Very low150 Ų150145 Ų14580%0.80281%0.808SS**  trans-44.7148.7-179-56.5-13.5000116.6
1147T31.1Very low30.4Very low139 Ų139143.7 Ų143.785%0.85382%0.815SS**  -172.8148.2113.919.60000112.3
1148K31.5Very low30.4Very low204 Ų204142.3 Ų142.389%0.88782%0.818SS**  trans-95.2136.5160.6-66170.7-178.3165.10107.9
1149V32Very low30.5Very low133 Ų133141 Ų14181%0.80682%0.818SS**  trans-145.1139.8153.4-176.90000108.2
1150G31.4Very low30.4Very low78 Ų78143 Ų14380%0.80482%0.818SS**  trans-128.7135.8163.300000109
1151S32.5Very low30.5Very low111 Ų111145.3 Ų145.378%0.77682%0.82SS**  trans-142.2132.1-175.957.50000112.2
1152R31.3Very low30.5Very low237 Ų237147.8 Ų147.889%0.89483%0.827SS**  trans-89.2178.1162.8-100175.4156.7178.1-7.4109.6
1153L30.4Very low30.6Very low163 Ų163141.6 Ų141.685%0.85382%0.82SS**  trans73.1171.1165.9-67.3167.2000117.4
1154N30.9Very low30.7Very low151 Ų151142.3 Ų142.381%0.80782%0.824SS**  trans63106.8-172.1-57.5-21.3000113.9
1155A30.2Very low30.7Very low95 Ų95140.7 Ų140.779%0.78583%0.825SS**  cis74.3148.327.900000115.3
1156A29.5Very low30.8Very low90 Ų90141.2 Ų141.274%0.74483%0.826SS**  trans67.9125.9178.700000119.1
1157L27.5Very low30.9Very low171 Ų171140.5 Ų140.590%0.89582%0.822SS**  trans43.3112.6136.9-57.2171.7000119.5
1158S31.6Very low30.9Very low129 Ų129140.6 Ų140.690%0.90282%0.816SS**  trans-142139.1153.8-75.10000110.2
1159L29.5Very low30.8Very low157 Ų157138.4 Ų138.482%0.82281%0.809SS**PPolyproline II helixtrans-71.8158.3-165.3-74.4157.3000113.6
1160P29.9Very low30.6Very low115 Ų115142.8 Ų142.875%0.74781%0.812SS**PPolyproline II helixtrans-71.3130.5178.129.7-34.8000111.7
1161L32.4Very low30.5Very low172 Ų172148 Ų14890%0.90182%0.816SS**PPolyproline II helixtrans-103.5133.1164.2-72.2172.6000109.5
1162L28.5Very low30.3Very low173 Ų173149.9 Ų149.991%0.90682%0.823SS**PPolyproline II helixtrans-83.5126.8-179.3-64.798.8000111.1
1163S32.5Very low30.2Very low104 Ų104142.5 Ų142.573%0.72782%0.82SS**  trans-157.1107.8153.361.60000111.1
1164D30.5Very low30.1Very low162 Ų162140.3 Ų140.387%0.86682%0.818SS**  trans54.5124.8151.4-52.7-28.3000122
1165S29.2Very low30.2Very low112 Ų112138.3 Ų138.378%0.78382%0.816SS**  trans-108.4140.1171.7-58.70000111.5N1167S1165-N1167 PolarHBondContact O-N 3.15Å
1166P35.4Very low30.4Very low120 Ų120138.9 Ų138.978%0.77982%0.815SS**  trans-92.884.9159.933.4-29.3000110.3I1168P1166-I1168 PolarHBondContact O-N 3.03Å
1167N30.7Very low30.6Very low134 Ų134139.9 Ų139.972%0.71782%0.816SS**  trans-83.792176.9-158.1-0.3000110S1165 Q1169S1165-N1167 PolarHBondContact O-N 3.15Å; N1167-Q1169 PolarHBondContact O-N 3.19Å
1168I31.5Very low31Very low142 Ų142136.2 Ų136.273%0.72881%0.805SS**  trans-81.785.4-177-55.7-178.9000110.5P1166 Y1170P1166-I1168 PolarHBondContact O-N 3.03Å; I1168-Y1170 HydrophobicContact CG2-CD2 4.17Å; I1168-Y1170 HydrophobicContact CG2-CE2 4.11Å
1169Q29.4Very low31.2Very low158 Ų158136.9 Ų136.974%0.73880%0.798SS**  trans-93.3122.1162.5-71.6-173.1-1900110.2N1167N1167-Q1169 PolarHBondContact O-N 3.19Å
1170Y28.6Very low31.5Very low224 Ų224135.3 Ų135.388%0.87879%0.791SS**  trans-85114.6165.1-88.7-94000109.7I1168I1168-Y1170 HydrophobicContact CG2-CD2 4.17Å; I1168-Y1170 HydrophobicContact CG2-CE2 4.11Å
1171Q29.1Very low31.7Very low188 Ų188136.7 Ų136.788%0.87979%0.792SS**  trans-138.9142.5158.6-84-164.7-16.900110.8
1172T27.3Very low31.7Very low151 Ų151139.4 Ų139.493%0.92679%0.792SS**  trans-94133.3-179.549.70000110.9
1173G30.5Very low32.1Very low82 Ų82136.1 Ų136.185%0.84578%0.781SS**  trans-163.9135.217400000111.9
1174S28Very low32.2Very low116 Ų116136 Ų13681%0.81178%0.78SS**  trans-125.5142.9-172.655.70000111.8
1175S32.8Very low32.3Very low109 Ų109134.7 Ų134.776%0.76278%0.778SS**  trans-171.7108.9152.546.50000115.5
1176S33.1Very low32.8Very low107 Ų107134.8 Ų134.875%0.74878%0.776SS**  trans60.7147.7130.960.60000125.2
1177S34.9Very low32.7Very low111 Ų111137 Ų13778%0.77678%0.78SS**  trans73137.5154.834.40000119.5
1178S35.5Very low32.7Very low94 Ų94136.8 Ų136.866%0.65778%0.779SS**  cis-168.4154.8-5.346.90000113.5
1179N35.5Very low32.7Very low143 Ų143137.8 Ų137.877%0.76578%0.78SS**  trans72.2144159.8-61.4-0.5000117.3
1180N35.3Very low32.7Very low125 Ų125135.6 Ų135.667%0.66878%0.777SS**  cis-151.2152.94.1-116.1-0.3000114.2
1181N35.2Very low32.7Very low143 Ų143131.6 Ų131.677%0.76577%0.771SS**  trans69.2118.1151.8-62-4.4000123.8
1182Y31.5Very low32.8Very low229 Ų229129.9 Ų129.990%0.89877%0.767SS**  trans-82.2-166.6163.2-84.2-88.9000111.4
1183P37Very low33.2Very low104 Ų104129.9 Ų129.968%0.67576%0.761SS**  cis-142.3-179.87.536.8-14000119
1184S34.9Very low33.3Very low101 Ų101131.7 Ų131.771%0.70676%0.758SS**  trans64.6149.3143.1580000120.8
1185T33.5Very low33.3Very low135 Ų135130.8 Ų130.883%0.82875%0.751SS**  cis-160.5165.9-12.715.90000109
1186P38.5Very low33.1Very low115 Ų115130.3 Ų130.375%0.74775%0.748SS**  trans-92.5164.7-172.137.6-36.9000115.3
1187I34.6Very low32.9Very low167 Ų167129.9 Ų129.986%0.85675%0.746SS**  trans-159.8168.2158.3-109.9154.8000112.7
1188N29.3Very low32.9Very low129 Ų129132.5 Ų132.569%0.6975%0.749SS**  trans-82.2-174.6-160.5-53.7-36.5000117.2
1189H33.1Very low32.8Very low162 Ų162135.6 Ų135.675%0.7576%0.757SS**  trans83.5130.3165.9-59.6-77.6000116.6
1190V28.7Very low33Very low113 Ų113134.2 Ų134.269%0.68576%0.756SS**  cis10013226.7171.90000112.9
1191D27.9Very low33.1Very low140 Ų140134.7 Ų134.775%0.74976%0.763SS**  trans84.2141.5164.8-71.3-20.3000123.5
1192N31.3Very low32.8Very low151 Ų151135.1 Ų135.181%0.80777%0.766SS**  trans84.6115.2151.8-66.1-34.9000123.3
1193L35.6Very low33.1Very low151 Ų151130.3 Ų130.379%0.79177%0.765SS**  trans-51.2162.7154-108.476.8000113
1194P34.1Very low32.8Very low121 Ų121130.6 Ų130.679%0.78677%0.77SS**  -140.8149.896.640.4-28.5000116.8
1195S27.5Very low32.8Very low96 Ų96130.9 Ų130.967%0.67177%0.772SS**  -15.1157129.1-51.30000116.9
1196S28.1Very low32.8Very low99 Ų99131.8 Ų131.869%0.69277%0.77SS**  cis-176.8173-6.747.30000110.4
1197S28.8Very low32.5Very low99 Ų99131.5 Ų131.569%0.69277%0.771SS**  trans59.6135.5142.860.10000122
1198I35.4Very low32.5Very low166 Ų166128.3 Ų128.385%0.85176%0.763SS**  -164.4155116.8-98.3155.3000110.1
1199L32.4Very low32.5Very low159 Ų159128.9 Ų128.983%0.83277%0.766SS**  trans-114.2-156.5-174.3-67.3165.5000108.4
1200P41.1Very low32.5Very low114 Ų114130.6 Ų130.674%0.7477%0.772SS**  cis-139.3-171.7-7.435.3-12.1000115.2
1201V35.8Very low32.5Very low134 Ų134130 Ų13081%0.81277%0.773SS**  160144.1123162.80000111.3
1202N30.8Very low32.7Very low153 Ų153131.1 Ų131.182%0.81878%0.777SS**  trans-93.4161.4-176.5-58-37.9000113.8
1203S35.8Very low32.6Very low128 Ų128130.5 Ų130.590%0.89577%0.774SS**  trans-163.6164.4134.9300000110.8
1204S32.5Very low32.5Very low110 Ų110130.1 Ų130.177%0.76978%0.778SS**  trans-146.7151.9-15955.60000113.5
1205S34.7Very low32.3Very low107 Ų107130.1 Ų130.175%0.74878%0.776SS**  trans-174.5124.2140.723.20000116.4
1206I33.2Very low32.5Very low153 Ų153133 Ų13379%0.78578%0.784SS**  73.1114.3124.4-61.9171.2000121.4
1207S31.4Very low32.6Very low110 Ų110134.3 Ų134.377%0.76978%0.783SS**  trans68.4149.2144.3-67.20000122.2
1208S34Very low32.8Very low99 Ų99137.5 Ų137.569%0.69279%0.791SS**  cis-166.2146-16.249.10000112.9
1209N30.5Very low32.5Very low142 Ų142138 Ų13876%0.75979%0.786SS**  trans18.9126.2150.4-56-9.9000120.2
1210F32.4Very low32.5Very low198 Ų198138.3 Ų138.387%0.86879%0.789SS**  -158.5143.993.3-117.2-80.3000112
1211S28.3Very low32Very low101 Ų101138.5 Ų138.571%0.70679%0.789SS**  trans-123151.3176.7-54.90000109.9
1212I33.5Very low32Very low162 Ų162138 Ų13883%0.83179%0.791SS**  trans-153.1145.6145.5-106151.5000109.1
1213N29.1Very low32.1Very low139 Ų139137 Ų13774%0.74379%0.79SS**  trans-84.3152.3-173.2-47.9-65.9000111.5
1214T33.2Very low32Very low143 Ų143138.8 Ų138.888%0.87779%0.79SS**  -161.8150.8104.110.70000113
1215T28.9Very low32.2Very low121 Ų121142.8 Ų142.874%0.74279%0.793SS**  trans-89.4146179.549.80000111.6
1216N33.1Very low32.1Very low156 Ų156143.9 Ų143.983%0.83480%0.796SS**  -158.8160118.8-110.6-39.6000114.4
1217N28.8Very low32.1Very low126 Ų126141.4 Ų141.467%0.67479%0.788SS**  trans-84.4146.9-175.6-67.6-93.4000112
1218I33.6Very low32.2Very low167 Ų167147.2 Ų147.286%0.85679%0.793SS**  -148.3137120.1-99.3148.3000107.6
1219K28.9Very low32.2Very low175 Ų175151.1 Ų151.176%0.76180%0.798SS**  trans-86.6139.2-179.9-63170.8-178.1172.10109.1
1220N32.5Very low32.3Very low166 Ų166153.8 Ų153.889%0.88880%0.802SS**  trans-143.2135152.1-131.8-20000111.1
1221T31Very low32.7Very low119 Ų119151.4 Ų151.473%0.7380%0.797SS**  trans-133.2119-16650.60000112.2
1222S35.9Very low33.1Very low124 Ų124155.7 Ų155.787%0.86780%0.803SS**  trans-174.8137.9130.741.70000110.9
1223T32.7Very low33.2Very low131 Ų131158.9 Ų158.980%0.80481%0.805SS**  trans-101.2131.417842.80000110.7K1225T1223-K1225 PolarHBondContact O-N 3.06Å; T1223-K1225 VanDerWaalsContact O-N 3.14Å
1224N34.2Very low34Very low166 Ų166161.7 Ų161.789%0.88881%0.81SS**  trans-66.3111.2176.5-86.7-43000110.6V1226N1224-V1226 PolarHBondContact O-N 3.11Å
1225K36.5Very low34Very low193 Ų193162.2 Ų162.284%0.83981%0.808SS**  trans-71.2111.5177.5-74.6-176.6176.5177.60110.8T1223 T1227T1223-K1225 PolarHBondContact O-N 3.06Å; T1223-K1225 VanDerWaalsContact O-N 3.14Å; K1225-T1227 PolarHBondContact O-N 2.73Å; K1225-T1227 VanDerWaalsContact O-N 3.13Å
1226V32Very low34.5Very low131 Ų131163.8 Ų163.879%0.79485%0.848SS**  trans-68.5104.8171.2178.20000110N1224 R1228N1224-V1226 PolarHBondContact O-N 3.11Å; V1226-R1228 PolarHBondContact O-N 2.97Å
1227T33.8Very low34.6Very low101 Ų101164.2 Ų164.262%0.6285%0.849SS**  trans-82.790.7178.4-52.30000111.3K1225 F1229K1225-T1227 PolarHBondContact O-N 2.73Å; K1225-T1227 VanDerWaalsContact O-N 3.13Å; T1227-F1229 HydrophobicContact CG2-CD2 4.24Å; T1227-F1229 HydrophobicContact CG2-CE2 3.72Å; T1227-F1229 HydrophobicContact CG2-CZ 3.93Å; T1227-F1229 PolarHBondContact O-N 2.86Å
1228R32.8Very low34.9Very low232 Ų232166.2 Ų166.288%0.87586%0.858SS**  trans-72.1104.9170.1-85.2-177.9168.7166.4-3.4111V1226V1226-R1228 PolarHBondContact O-N 2.97Å
1229F34.9Very low34.9Very low181 Ų181166.1 Ų166.179%0.79486%0.858SS**  trans-73127.2165.1-71-84.7000110.5T1227T1227-F1229 HydrophobicContact CG2-CD2 4.24Å; T1227-F1229 HydrophobicContact CG2-CE2 3.72Å; T1227-F1229 HydrophobicContact CG2-CZ 3.93Å; T1227-F1229 PolarHBondContact O-N 2.86Å
1230K32.8Very low35.3Very low197 Ų197165.6 Ų165.686%0.85786%0.863SS**  trans-117.989.1-178.6-168.4174.4-174.7176.50109.6K1232K1230-K1232 PolarHBondContact O-N 2.91Å
1231I40.5Very low35.5Very low148 Ų148165.6 Ų165.676%0.75986%0.862SS**  trans-69.8111.6178.7-58.6175.2000108.6
1232K37.4Very low35.8Very low192 Ų192168.7 Ų168.784%0.83587%0.871SS**  trans-84.7121.2161-90.2-168.6171.4-172.10108.3K1230K1230-K1232 PolarHBondContact O-N 2.91Å
1233W34.6Very low35.8Very low228 Ų228171.9 Ų171.986%0.86487%0.871SS**  trans-68.7151.6152.4-69.677.2000108.6
1234K46.3Very low36Very low198 Ų198175 Ų17586%0.86188%0.876SS**  trans-136.6119.1168.6-173.1-171.9179.8-168.80106.2
1235D33.2Very low36.1Very low155 Ų155175.8 Ų175.883%0.82988%0.875SS**  trans-68.1144-177.6-51.1-72.6000111.1
1236G38.9Very low36.1Very low153 Ų153174.2 Ų174.2100%1.57788%0.879SS**  trans160.90-171.400000111.6

Retrieved 1,236 of 1,236 residues in 373.5 ms (Link to these results)

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