A0A077ZA43_TRITR Loading...

T20D4.11-like domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZA43, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 652 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M34.3Very low60Low244 Ų24476.7 Ų76.7100%1.20241%0.407SS*.  0103.50-142.5170.3-177.900105
2F45.2Very low61.5Low87 Ų8770.4 Ų70.438%0.38237%0.373SS..  trans-58.1139.3-178.4-101.8-86000110.2F4 F29 C32F2-F4 VanDerWaalsContact C-N 3.25Å; F2-F4 PolarHBondContact O-N 3.33Å; F2-F29 HydrophobicContact CD1-CD2 4.08Å; F2-F29 HydrophobicContact CE1-CB 3.98Å; F2-F29 AromaticContact CE1-CD2 3.25Å; F2-F29 HydrophobicContact CE1-CD2 3.25Å; F2-F29 HydrophobicContact CE1-CE2 4.06Å; F2-F29 HydrophobicContact CE1-CG 4.03Å; F2-F29 AromaticContact CE2-CD2 3.94Å; F2-F29 HydrophobicContact CE2-CD2 3.94Å; F2-F29 HydrophobicContact CE2-CE2 4.02Å; F2-F29 HydrophobicContact CZ-CB 4.08Å; F2-F29 AromaticContact CZ-CD2 3.13Å; F2-F29 HydrophobicContact CZ-CD2 3.13Å; F2-F29 AromaticContact CZ-CE2 3.68Å; F2-F29 HydrophobicContact CZ-CE2 3.68Å; F2-F29 AromaticContact CZ-CG 3.86Å; F2-F29 HydrophobicContact CZ-CG 3.86Å; F2-C32 HydrophobicContact CE2-CB 3.84Å; F2-C32 WeakPolarHBondContact CE2-SG 3.18Å; F2-C32 HydrophobicContact CZ-CB 3.56Å
3P37.8Very low63Low113 Ų11366 Ų6673%0.73435%0.349SS*.SBendtrans-79.5-0.8-177.431.1-33.6000114.1N5P3-N5 PolarHBondContact O-N 2.95Å; P3-N5 VanDerWaalsContact O-N 3.13Å
4F53.1Low64.4Low46 Ų4670.3 Ų70.320%0.20236%0.359CS..  trans-82.995.6175.4-74.4-70.5000111F2 M6 Y11 Q25F2-F4 VanDerWaalsContact C-N 3.25Å; F2-F4 PolarHBondContact O-N 3.33Å; F4-M6 HydrophobicContact CB-CB 4.49Å; F4-M6 HydrophobicContact CD1-CE 4.07Å; F4-M6 HydrophobicContact CE1-CE 4.11Å; F4-M6 PolarHBondContact O-N 3.39Å; F4-Y11 WeakPolarHBondContact CD1-OH 3.35Å; F4-Y11 WeakPolarHBondContact CD2-OH 3.03Å; F4-Y11 WeakPolarHBondContact CE2-OH 3.27Å; F4-Y11 WeakPolarHBondContact CG-OH 3.01Å; F4-Q25 HydrophobicContact CE2-CB 3.9Å; F4-Q25 HydrophobicContact CE2-CG 4.32Å; F4-Q25 HydrophobicContact CZ-CB 3.99Å; F4-Q25 HydrophobicContact CZ-CG 4.09Å; F4-Q25 VanDerWaalsContact CZ-NE2 3.27Å
5N52.9Low65.6Low177 Ų17765.7 Ų65.795%0.94734%0.336SS*.  trans-65.38158.6-101.7-11.6000112.9P3 S7P3-N5 PolarHBondContact O-N 2.95Å; P3-N5 VanDerWaalsContact O-N 3.13Å; N5-S7 PolarHBondContact O-N 3.11Å
6M57.3Low66.5Low73 Ų7361.8 Ų61.836%0.3632%0.316SS..  trans-82.7117177.5-76.3-167.6-132.100109.3F4 A10 Y11F4-M6 HydrophobicContact CB-CB 4.49Å; F4-M6 HydrophobicContact CD1-CE 4.07Å; F4-M6 HydrophobicContact CE1-CE 4.11Å; F4-M6 PolarHBondContact O-N 3.39Å; M6-A10 HydrophobicContact CB-CB 3.75Å; M6-A10 HydrophobicContact CG-CB 3.89Å; M6-A10 HydrophobicContact SD-CB 4.32Å; M6-Y11 HydrophobicContact CB-CD2 4.2Å; M6-Y11 HydrophobicContact CB-CE2 3.89Å
7S72.8Confident67.3Low55 Ų5563.3 Ų63.339%0.38533%0.325SS..  trans-61.5160.1168.559.80000110.4N5 H9 A10 Y11N5-S7 PolarHBondContact O-N 3.11Å; S7-H9 PolarHBondContact O-N 3.03Å; S7-H9 VanDerWaalsContact O-N 3.1Å; S7-H9 WeakPolarHBondContact OG-CB 3.31Å; S7-A10 WeakPolarHBondContact O-CA 3.17Å; S7-A10 WeakPolarHBondContact O-CB 3.33Å; S7-A10 PolarHBondContact O-N 2.92Å; S7-A10 PolarHBondContact OG-N 3.46Å; S7-Y11 PolarHBondContact O-N 2.9Å
8F74.8Confident68.3Low6 Ų664.3 Ų64.33%0.02633%0.331CS..Hα-helixtrans-49.5-37.4170.1-178.4-115.7000111.4A10 Y11 F12 Y46 F49 F99 L102 F129 F132F8-A10 PolarHBondContact O-N 3.14Å; F8-Y11 WeakPolarHBondContact O-CB 3.32Å; F8-Y11 PolarHBondContact O-N 2.92Å; F8-F12 AromaticContact CE1-CD2 3.94Å; F8-F12 HydrophobicContact CE1-CD2 3.94Å; F8-F12 HydrophobicContact CE1-CE2 4.23Å; F8-F12 HydrophobicContact CE2-CD2 4.03Å; F8-F12 HydrophobicContact CE2-CE2 4.29Å; F8-F12 AromaticContact CZ-CD2 3.55Å; F8-F12 HydrophobicContact CZ-CD2 3.55Å; F8-F12 AromaticContact CZ-CE2 3.62Å; F8-F12 HydrophobicContact CZ-CE2 3.62Å; F8-F12 PolarHBondContact O-N 2.78Å; F8-Y46 WeakPolarHBondContact CA-OH 3.45Å; F8-Y46 HydrophobicContact CB-CE1 4.31Å; F8-Y46 WeakPolarHBondContact CB-OH 3.36Å; F8-Y46 AromaticContact CD2-CE1 3.94Å; F8-Y46 HydrophobicContact CD2-CE1 3.94Å; F8-Y46 PolarHBondContact N-OH 2.6Å; F8-Y46 VanDerWaalsContact N-OH 3.15Å; F8-F49 HydrophobicContact CE2-CB 4.48Å; F8-F49 HydrophobicContact CE2-CD1 4.48Å; F8-F49 AromaticContact CE2-CD2 3.78Å; F8-F49 HydrophobicContact CE2-CD2 3.78Å; F8-F49 HydrophobicContact CE2-CE2 4.12Å; F8-F49 AromaticContact CE2-CG 3.97Å; F8-F49 HydrophobicContact CE2-CG 3.97Å; F8-F49 HydrophobicContact CZ-CD2 4.33Å; F8-F99 HydrophobicContact CD1-CD1 4.34Å; F8-F99 HydrophobicContact CD1-CE1 4.34Å; F8-L102 HydrophobicContact CD1-CD2 3.49Å; F8-L102 VanDerWaalsContact CD1-CD2 3.49Å; F8-L102 HydrophobicContact CE1-CD2 3.42Å; F8-L102 VanDerWaalsContact CE1-CD2 3.42Å; F8-F129 HydrophobicContact CE1-CD2 4.22Å; F8-F129 HydrophobicContact CE1-CE2 4.38Å; F8-F132 HydrophobicContact CB-CZ 4.36Å; F8-F132 HydrophobicContact CD1-CD1 4.12Å; F8-F132 AromaticContact CD1-CE1 3.79Å; F8-F132 HydrophobicContact CD1-CE1 3.79Å; F8-F132 HydrophobicContact CD1-CZ 4.19Å; F8-F132 HydrophobicContact CD2-CD1 4.14Å; F8-F132 AromaticContact CD2-CD2 3.69Å; F8-F132 HydrophobicContact CD2-CD2 3.69Å; F8-F132 AromaticContact CD2-CE1 3.95Å; F8-F132 HydrophobicContact CD2-CE1 3.95Å; F8-F132 AromaticContact CD2-CE2 3.55Å; F8-F132 HydrophobicContact CD2-CE2 3.55Å; F8-F132 HydrophobicContact CD2-CG 4Å; F8-F132 AromaticContact CD2-CZ 3.68Å; F8-F132 HydrophobicContact CD2-CZ 3.68Å; F8-F132 AromaticContact CE1-CD1 3.57Å; F8-F132 HydrophobicContact CE1-CD1 3.57Å; F8-F132 AromaticContact CE1-CE1 3.72Å; F8-F132 HydrophobicContact CE1-CE1 3.72Å; F8-F132 HydrophobicContact CE1-CG 4.09Å; F8-F132 HydrophobicContact CE1-CZ 4.43Å; F8-F132 HydrophobicContact CE2-CB 3.76Å; F8-F132 AromaticContact CE2-CD1 3.61Å; F8-F132 HydrophobicContact CE2-CD1 3.61Å; F8-F132 AromaticContact CE2-CD2 3.3Å; F8-F132 HydrophobicContact CE2-CD2 3.3Å; F8-F132 AromaticContact CE2-CE1 3.91Å; F8-F132 HydrophobicContact CE2-CE1 3.91Å; F8-F132 AromaticContact CE2-CE2 3.69Å; F8-F132 HydrophobicContact CE2-CE2 3.69Å; F8-F132 AromaticContact CE2-CG 3.27Å; F8-F132 HydrophobicContact CE2-CG 3.27Å; F8-F132 AromaticContact CE2-CZ 3.97Å; F8-F132 HydrophobicContact CE2-CZ 3.97Å; F8-F132 HydrophobicContact CG-CD1 4.38Å; F8-F132 AromaticContact CG-CE1 3.9Å; F8-F132 HydrophobicContact CG-CE1 3.9Å; F8-F132 HydrophobicContact CG-CE2 4.17Å; F8-F132 AromaticContact CG-CZ 3.81Å; F8-F132 HydrophobicContact CG-CZ 3.81Å; F8-F132 HydrophobicContact CZ-CB 3.61Å; F8-F132 AromaticContact CZ-CD1 3.29Å; F8-F132 HydrophobicContact CZ-CD1 3.29Å; F8-F132 AromaticContact CZ-CD2 3.88Å; F8-F132 HydrophobicContact CZ-CD2 3.88Å; F8-F132 AromaticContact CZ-CE1 3.8Å; F8-F132 HydrophobicContact CZ-CE1 3.8Å; F8-F132 HydrophobicContact CZ-CE2 4.38Å; F8-F132 AromaticContact CZ-CG 3.32Å; F8-F132 HydrophobicContact CZ-CG 3.32Å; F8-F132 HydrophobicContact CZ-CZ 4.34Å
9H74.3Confident69.2Low17 Ų1762 Ų628%0.07932%0.32CS..Hα-helixtrans-54.1-49.5170.1-108.4-75.4000112.9S7 Y11 F12 F13S7-H9 PolarHBondContact O-N 3.03Å; S7-H9 VanDerWaalsContact O-N 3.1Å; S7-H9 WeakPolarHBondContact OG-CB 3.31Å; H9-Y11 VanDerWaalsContact C-N 3.3Å; H9-Y11 PolarHBondContact O-N 3.19Å; H9-F12 PolarHBondContact O-N 2.8Å; H9-F12 VanDerWaalsContact O-N 3.14Å; H9-F13 AromaticContact CE1-CE2 3.42Å; H9-F13 VanDerWaalsContact CE1-CE2 3.42Å; H9-F13 WeakPolarHBondContact CE1-CE2 3.35Å; H9-F13 AromaticContact CE1-CZ 3.66Å; H9-F13 AromaticContact ND1-CD2 3.58Å; H9-F13 AromaticContact ND1-CE2 2.98Å; H9-F13 WeakPolarHBondContact ND1-CE2 3.37Å; H9-F13 AromaticContact ND1-CZ 3.51Å; H9-F13 WeakPolarHBondContact O-CB 3.44Å; H9-F13 WeakPolarHBondContact O-CD2 3.45Å; H9-F13 PolarHBondContact O-N 2.83Å
10A77.4Confident70Confident13 Ų1367.3 Ų67.311%0.10734%0.344CS..Hα-helixtrans-62.7-36.7178.900000112.4M6 S7 F8 Y14 G15M6-A10 HydrophobicContact CB-CB 3.75Å; M6-A10 HydrophobicContact CG-CB 3.89Å; M6-A10 HydrophobicContact SD-CB 4.32Å; S7-A10 WeakPolarHBondContact O-CA 3.17Å; S7-A10 WeakPolarHBondContact O-CB 3.33Å; S7-A10 PolarHBondContact O-N 2.92Å; S7-A10 PolarHBondContact OG-N 3.46Å; F8-A10 PolarHBondContact O-N 3.14Å; A10-Y14 HydrophobicContact CB-CD2 4.07Å; A10-Y14 WeakPolarHBondContact O-CA 3.06Å; A10-Y14 WeakPolarHBondContact O-CB 3.44Å; A10-Y14 PolarHBondContact O-N 3Å; A10-G15 PolarHBondContact O-N 3.38Å
11Y79.7Confident70.7Confident13 Ų1368.6 Ų68.65%0.05135%0.348CS..Hα-helixtrans-63.3-41.8172.8-80.4-81.1000112.4F4 M6 S7 F8 H9 G15 I22 Y46 F49 L50F4-Y11 WeakPolarHBondContact CD1-OH 3.35Å; F4-Y11 WeakPolarHBondContact CD2-OH 3.03Å; F4-Y11 WeakPolarHBondContact CE2-OH 3.27Å; F4-Y11 WeakPolarHBondContact CG-OH 3.01Å; M6-Y11 HydrophobicContact CB-CD2 4.2Å; M6-Y11 HydrophobicContact CB-CE2 3.89Å; S7-Y11 PolarHBondContact O-N 2.9Å; F8-Y11 WeakPolarHBondContact O-CB 3.32Å; F8-Y11 PolarHBondContact O-N 2.92Å; H9-Y11 VanDerWaalsContact C-N 3.3Å; H9-Y11 PolarHBondContact O-N 3.19Å; Y11-G15 WeakPolarHBondContact O-CA 3.39Å; Y11-G15 PolarHBondContact O-N 3.47Å; Y11-I22 HydrophobicContact CD1-CD1 3.71Å; Y11-I22 HydrophobicContact CD1-CG1 4.07Å; Y11-I22 HydrophobicContact CD1-CG2 4.12Å; Y11-I22 HydrophobicContact CE1-CB 4.43Å; Y11-I22 HydrophobicContact CE1-CD1 4.01Å; Y11-I22 HydrophobicContact CE1-CG1 3.82Å; Y11-I22 HydrophobicContact CE1-CG2 3.85Å; Y11-Y46 HydrophobicContact CD2-CE1 4.18Å; Y11-Y46 HydrophobicContact CE2-CE1 4.37Å; Y11-F49 HydrophobicContact CD1-CE1 4.12Å; Y11-F49 HydrophobicContact CG-CE1 4.15Å; Y11-L50 HydrophobicContact CE1-CD2 4.29Å
12F78.7Confident73.2Confident1 Ų157.4 Ų57.40%0.00429%0.293CS..Hα-helixtrans-70.5-36.9-179.4-123.8-93.8000113F8 H9 F49 L72 L106 V125 M128 F129F8-F12 AromaticContact CE1-CD2 3.94Å; F8-F12 HydrophobicContact CE1-CD2 3.94Å; F8-F12 HydrophobicContact CE1-CE2 4.23Å; F8-F12 HydrophobicContact CE2-CD2 4.03Å; F8-F12 HydrophobicContact CE2-CE2 4.29Å; F8-F12 AromaticContact CZ-CD2 3.55Å; F8-F12 HydrophobicContact CZ-CD2 3.55Å; F8-F12 AromaticContact CZ-CE2 3.62Å; F8-F12 HydrophobicContact CZ-CE2 3.62Å; F8-F12 PolarHBondContact O-N 2.78Å; H9-F12 PolarHBondContact O-N 2.8Å; H9-F12 VanDerWaalsContact O-N 3.14Å; F12-F49 HydrophobicContact CD2-CD2 4.47Å; F12-F49 AromaticContact CD2-CE2 3.69Å; F12-F49 HydrophobicContact CD2-CE2 3.69Å; F12-F49 HydrophobicContact CD2-CZ 4.3Å; F12-F49 HydrophobicContact CE2-CD2 4.12Å; F12-F49 AromaticContact CE2-CE2 3.59Å; F12-F49 HydrophobicContact CE2-CE2 3.59Å; F12-L72 HydrophobicContact CD1-CD1 4.25Å; F12-L106 HydrophobicContact CD1-CD1 4.33Å; F12-L106 HydrophobicContact CD1-CD2 4.14Å; F12-L106 HydrophobicContact CE1-CD1 3.79Å; F12-L106 HydrophobicContact CE1-CD2 4.02Å; F12-L106 HydrophobicContact CZ-CD1 4.22Å; F12-V125 HydrophobicContact CE1-CG1 3.96Å; F12-V125 WeakPolarHBondContact CZ-O 2.97Å; F12-M128 HydrophobicContact CE1-CE 4.32Å; F12-M128 HydrophobicContact CE2-CB 3.9Å; F12-M128 HydrophobicContact CZ-CB 3.68Å; F12-M128 HydrophobicContact CZ-CE 4.26Å; F12-F129 HydrophobicContact CE1-CB 4.46Å; F12-F129 HydrophobicContact CE2-CB 4.22Å; F12-F129 HydrophobicContact CZ-CB 3.65Å
13F81.1Confident75.3Confident13 Ų1355.1 Ų55.16%0.05729%0.288CS..Hα-helixtrans-92-41-172.7-75.5-118000112.5H9 A69 L72 V73 L82 L102 L105H9-F13 AromaticContact CE1-CE2 3.42Å; H9-F13 VanDerWaalsContact CE1-CE2 3.42Å; H9-F13 WeakPolarHBondContact CE1-CE2 3.35Å; H9-F13 AromaticContact CE1-CZ 3.66Å; H9-F13 AromaticContact ND1-CD2 3.58Å; H9-F13 AromaticContact ND1-CE2 2.98Å; H9-F13 WeakPolarHBondContact ND1-CE2 3.37Å; H9-F13 AromaticContact ND1-CZ 3.51Å; H9-F13 WeakPolarHBondContact O-CB 3.44Å; H9-F13 WeakPolarHBondContact O-CD2 3.45Å; H9-F13 PolarHBondContact O-N 2.83Å; F13-A69 VanDerWaalsContact O-CB 3.28Å; F13-A69 WeakPolarHBondContact O-CB 3.26Å; F13-L72 HydrophobicContact CD1-CB 3.74Å; F13-L72 HydrophobicContact CE1-CB 3.79Å; F13-L72 WeakPolarHBondContact CE1-O 3.34Å; F13-L72 HydrophobicContact CG-CB 4.22Å; F13-L72 HydrophobicContact CZ-CB 4.27Å; F13-V73 HydrophobicContact CB-CG2 4.47Å; F13-V73 HydrophobicContact CD1-CG2 4Å; F13-L82 HydrophobicContact CZ-CD1 4.13Å; F13-L102 HydrophobicContact CE2-CD1 4.34Å; F13-L105 HydrophobicContact CE2-CD2 4.43Å; F13-L105 HydrophobicContact CZ-CD2 3.67Å
14Y82.5Confident77.7Confident126 Ų12653.7 Ų53.749%0.49428%0.281SS..Hα-helixtrans-109.3-15.4-175.8-54.2-66.9000113.3A10 P16 L17 V73A10-Y14 HydrophobicContact CB-CD2 4.07Å; A10-Y14 WeakPolarHBondContact O-CA 3.06Å; A10-Y14 WeakPolarHBondContact O-CB 3.44Å; A10-Y14 PolarHBondContact O-N 3Å; Y14-P16 VanDerWaalsContact C-CD 3.41Å; Y14-P16 VanDerWaalsContact C-N 3.31Å; Y14-L17 HydrophobicContact CD1-CD1 4.35Å; Y14-L17 WeakPolarHBondContact O-CB 3.35Å; Y14-L17 PolarHBondContact O-N 3.06Å; Y14-V73 HydrophobicContact CE1-CG2 4.34Å
15G81.3Confident79.3Confident1 Ų154.4 Ų54.41%0.0128%0.284CS..G310 helixtrans-56.4-39.6174.900000114.1A10 Y11 L17 N18 F53A10-G15 PolarHBondContact O-N 3.38Å; Y11-G15 WeakPolarHBondContact O-CA 3.39Å; Y11-G15 PolarHBondContact O-N 3.47Å; G15-L17 PolarHBondContact O-N 3.26Å; G15-N18 CarbonylContact O-C 3.47Å; G15-N18 PolarHBondContact O-N 2.84Å; G15-F53 WeakPolarHBondContact O-CZ 3.36Å
16P80.1Confident81.1Confident3 Ų348 Ų482%0.01925%0.248CC..G310 helixtrans-58.8-18.7173.8-13.519.1000115.5Y14 Y61 G65 A69Y14-P16 VanDerWaalsContact C-CD 3.41Å; Y14-P16 VanDerWaalsContact C-N 3.31Å; P16-Y61 HydrophobicContact CB-CE1 3.95Å; P16-Y61 HydrophobicContact CG-CE1 4.41Å; P16-Y61 VanDerWaalsContact CG-OH 3.32Å; P16-Y61 WeakPolarHBondContact CG-OH 3.32Å; P16-G65 WeakPolarHBondContact CB-O 3.38Å; P16-A69 HydrophobicContact CG-CB 4.45Å
17L80.2Confident82.6Confident88 Ų8849 Ų4946%0.46125%0.25SS..G310 helixtrans-88.1-18177.1-57.9174.7000113Y14 G15 A69Y14-L17 HydrophobicContact CD1-CD1 4.35Å; Y14-L17 WeakPolarHBondContact O-CB 3.35Å; Y14-L17 PolarHBondContact O-N 3.06Å; G15-L17 PolarHBondContact O-N 3.26Å; L17-A69 HydrophobicContact CD2-CB 4.33Å; L17-A69 HydrophobicContact CG-CB 4.29Å
18N85.3Confident83.4Confident82 Ų8250 Ų5044%0.43926%0.257SS..  trans-139.152.4-175.8-58.9-74.7000112.6G15 E20 Q21 I22G15-N18 CarbonylContact O-C 3.47Å; G15-N18 PolarHBondContact O-N 2.84Å; N18-E20 PolarHBondContact O-N 3.44Å; N18-Q21 HydrophobicContact CB-CB 4.29Å; N18-Q21 PolarHBondContact O-N 2.77Å; N18-I22 PolarHBondContact O-N 3.11Å
19P85.2Confident84.1Confident20 Ų2050.8 Ų50.813%0.1326%0.261CS..Hα-helixtrans-64-39.7-173.925.4-33.3000112.6Q21 I22 C23 F53 Y61 V62P19-Q21 VanDerWaalsContact C-N 3.33Å; P19-Q21 PolarHBondContact O-N 3.46Å; P19-I22 PolarHBondContact O-N 3.4Å; P19-C23 WeakPolarHBondContact O-CB 3.39Å; P19-C23 PolarHBondContact O-N 3.5Å; P19-C23 PolarHBondContact O-SG 3.09Å; P19-F53 HydrophobicContact CB-CE1 4.06Å; P19-F53 HydrophobicContact CB-CZ 4.18Å; P19-Y61 HydrophobicContact CB-CD1 4.27Å; P19-V62 HydrophobicContact CG-CG2 3.76Å
20E85.2Confident84.8Confident168 Ų16851.3 Ų51.379%0.78526%0.264SS*.Hα-helixtrans-60.6-41.7179.2-64.9-179.9-179.100112.2N18 I22 C23 S24N18-E20 PolarHBondContact O-N 3.44Å; E20-I22 VanDerWaalsContact C-N 3.35Å; E20-I22 PolarHBondContact O-N 3.45Å; E20-C23 PolarHBondContact O-N 3.27Å; E20-S24 VanDerWaalsContact O-CB 3.25Å; E20-S24 WeakPolarHBondContact O-CB 3.41Å; E20-S24 PolarHBondContact O-N 3.5Å; E20-S24 PolarHBondContact O-OG 3.18Å
21Q84.9Confident85.5Confident95 Ų9554.3 Ų54.344%0.44428%0.276SS..Hα-helixtrans-67-37.1178.1-170.2-176.714.500112N18 P19 S24 Q25N18-Q21 HydrophobicContact CB-CB 4.29Å; N18-Q21 PolarHBondContact O-N 2.77Å; P19-Q21 VanDerWaalsContact C-N 3.33Å; P19-Q21 PolarHBondContact O-N 3.46Å; Q21-S24 WeakPolarHBondContact CA-OG 3.27Å; Q21-S24 PolarHBondContact O-OG 3.09Å; Q21-Q25 WeakPolarHBondContact O-CG 3.46Å; Q21-Q25 PolarHBondContact O-NE2 3.41Å
22I86.5Confident86Confident8 Ų856 Ų564%0.04129%0.289CS..Hα-helixtrans-70.5-45.6177.3-70.3168.3000110.2Y11 N18 P19 E20 Q25 K26 L50 F53Y11-I22 HydrophobicContact CD1-CD1 3.71Å; Y11-I22 HydrophobicContact CD1-CG1 4.07Å; Y11-I22 HydrophobicContact CD1-CG2 4.12Å; Y11-I22 HydrophobicContact CE1-CB 4.43Å; Y11-I22 HydrophobicContact CE1-CD1 4.01Å; Y11-I22 HydrophobicContact CE1-CG1 3.82Å; Y11-I22 HydrophobicContact CE1-CG2 3.85Å; N18-I22 PolarHBondContact O-N 3.11Å; P19-I22 PolarHBondContact O-N 3.4Å; E20-I22 VanDerWaalsContact C-N 3.35Å; E20-I22 PolarHBondContact O-N 3.45Å; I22-Q25 PolarHBondContact O-N 3.36Å; I22-K26 PolarHBondContact O-N 3.33Å; I22-L50 HydrophobicContact CG2-CD2 3.46Å; I22-L50 VanDerWaalsContact CG2-CD2 3.46Å; I22-F53 HydrophobicContact CB-CE1 3.87Å; I22-F53 HydrophobicContact CB-CZ 4.4Å; I22-F53 HydrophobicContact CD1-CE1 4.07Å; I22-F53 HydrophobicContact CD1-CE2 4.45Å; I22-F53 HydrophobicContact CD1-CZ 3.71Å; I22-F53 HydrophobicContact CG2-CD1 3.91Å; I22-F53 HydrophobicContact CG2-CE1 3.66Å; I22-F53 HydrophobicContact CG2-CZ 4.34Å
23C90.6Very high86.5Confident40 Ų4056 Ų5627%0.2729%0.289SS..Hα-helixtrans-76.4-32-173.5-65.60000113.7P19 E20 Q25 K26 C54P19-C23 WeakPolarHBondContact O-CB 3.39Å; P19-C23 PolarHBondContact O-N 3.5Å; P19-C23 PolarHBondContact O-SG 3.09Å; E20-C23 PolarHBondContact O-N 3.27Å; C23-Q25 PolarHBondContact O-N 2.04Å; C23-K26 WeakPolarHBondContact O-CB 3.46Å; C23-K26 PolarHBondContact O-N 3.25Å; C23-K26 VanDerWaalsContact O-N 3.16Å; C23-C54 WeakPolarHBondContact CA-SG 3.32Å; C23-C54 HydrophobicContact CB-CB 3.81Å; C23-C54 WeakPolarHBondContact CB-SG 3.1Å; C23-C54 WeakPolarHBondContact SG-CA 3.48Å; C23-C54 WeakPolarHBondContact SG-CB 3.26Å; C23-C54 CovalentContact SG-SG 2.05Å; C23-C54 PolarHBondContact SG-SG 3.47Å
24S88.7Confident86.9Confident83 Ų8362.5 Ų62.558%0.5832%0.32SS*.Hα-helixtrans-59.6-27.8168.853.50000112.5E20 Q21E20-S24 VanDerWaalsContact O-CB 3.25Å; E20-S24 WeakPolarHBondContact O-CB 3.41Å; E20-S24 PolarHBondContact O-N 3.5Å; E20-S24 PolarHBondContact O-OG 3.18Å; Q21-S24 WeakPolarHBondContact CA-OG 3.27Å; Q21-S24 PolarHBondContact O-OG 3.09Å
25Q85.9Confident87.3Confident60 Ų6064.1 Ų64.128%0.2833%0.329SS..THydrogen-bonded Turntrans-92.1-8.3179-64.6-171.152.100114.2F4 Q21 I22 C23 K27 S28 F29F4-Q25 HydrophobicContact CE2-CB 3.9Å; F4-Q25 HydrophobicContact CE2-CG 4.32Å; F4-Q25 HydrophobicContact CZ-CB 3.99Å; F4-Q25 HydrophobicContact CZ-CG 4.09Å; F4-Q25 VanDerWaalsContact CZ-NE2 3.27Å; Q21-Q25 WeakPolarHBondContact O-CG 3.46Å; Q21-Q25 PolarHBondContact O-NE2 3.41Å; I22-Q25 PolarHBondContact O-N 3.36Å; C23-Q25 PolarHBondContact O-N 2.04Å; Q25-K27 VanDerWaalsContact C-N 3.33Å; Q25-K27 PolarHBondContact O-N 3.21Å; Q25-S28 PolarHBondContact O-N 3.18Å; Q25-F29 PolarHBondContact O-N 2.6Å
26K90.8Very high87.4Confident43 Ų4367.7 Ų67.719%0.18735%0.348CS..Hα-helixtrans-57.6-44.7178.7-178.5-175.3178.2-58.80111.7I22 C23 S28 F29 D30 L50 C54I22-K26 PolarHBondContact O-N 3.33Å; C23-K26 WeakPolarHBondContact O-CB 3.46Å; C23-K26 PolarHBondContact O-N 3.25Å; C23-K26 VanDerWaalsContact O-N 3.16Å; K26-S28 PolarHBondContact O-N 3.43Å; K26-F29 WeakPolarHBondContact O-CA 3.08Å; K26-F29 WeakPolarHBondContact O-CB 3.02Å; K26-F29 PolarHBondContact O-N 2.85Å; K26-F29 VanDerWaalsContact O-N 3.09Å; K26-D30 IonicContact NZ-OD2 3.26Å; K26-D30 PolarHBondContact NZ-OD2 3.28Å; K26-D30 PolarHBondContact O-N 2.9Å; K26-L50 HydrophobicContact CD-CB 4.42Å; K26-L50 HydrophobicContact CG-CB 4.23Å; K26-C54 HydrophobicContact CD-CB 3.96Å
27K89.4Confident87.7Confident94 Ų9473.7 Ų73.741%0.40939%0.387SS..Hα-helixtrans-58.9-49.7179.9-176.5176.7179.1176.10111.4Q25 F29 D30 E31Q25-K27 VanDerWaalsContact C-N 3.33Å; Q25-K27 PolarHBondContact O-N 3.21Å; K27-F29 PolarHBondContact O-N 3.49Å; K27-D30 PolarHBondContact O-N 2.96Å; K27-E31 WeakPolarHBondContact CE-OE1 3.37Å; K27-E31 WeakPolarHBondContact O-CG 3.33Å; K27-E31 PolarHBondContact O-N 3.44Å
28S88.3Confident87.9Confident75 Ų7574.5 Ų74.552%0.52440%0.398SS..Hα-helixtrans-62.7-32.2176.3-53.90000112.5Q25 K26 C32Q25-S28 PolarHBondContact O-N 3.18Å; K26-S28 PolarHBondContact O-N 3.43Å; S28-C32 WeakPolarHBondContact O-CB 3.21Å; S28-C32 PolarHBondContact O-N 2.83Å; S28-C32 VanDerWaalsContact O-N 3.13Å
29F89Confident87.9Confident23 Ų2374.2 Ų74.210%0.10140%0.396CS..Hα-helixtrans-65-50.5174.4179.3-94.7000111.6F2 Q25 K26 K27 C32 V33 Y46 Q47 L50F2-F29 HydrophobicContact CD1-CD2 4.08Å; F2-F29 HydrophobicContact CE1-CB 3.98Å; F2-F29 AromaticContact CE1-CD2 3.25Å; F2-F29 HydrophobicContact CE1-CD2 3.25Å; F2-F29 HydrophobicContact CE1-CE2 4.06Å; F2-F29 HydrophobicContact CE1-CG 4.03Å; F2-F29 AromaticContact CE2-CD2 3.94Å; F2-F29 HydrophobicContact CE2-CD2 3.94Å; F2-F29 HydrophobicContact CE2-CE2 4.02Å; F2-F29 HydrophobicContact CZ-CB 4.08Å; F2-F29 AromaticContact CZ-CD2 3.13Å; F2-F29 HydrophobicContact CZ-CD2 3.13Å; F2-F29 AromaticContact CZ-CE2 3.68Å; F2-F29 HydrophobicContact CZ-CE2 3.68Å; F2-F29 AromaticContact CZ-CG 3.86Å; F2-F29 HydrophobicContact CZ-CG 3.86Å; Q25-F29 PolarHBondContact O-N 2.6Å; K26-F29 WeakPolarHBondContact O-CA 3.08Å; K26-F29 WeakPolarHBondContact O-CB 3.02Å; K26-F29 PolarHBondContact O-N 2.85Å; K26-F29 VanDerWaalsContact O-N 3.09Å; K27-F29 PolarHBondContact O-N 3.49Å; F29-C32 WeakPolarHBondContact O-CB 3.19Å; F29-C32 PolarHBondContact O-N 3.19Å; F29-C32 VanDerWaalsContact O-N 3.17Å; F29-V33 HydrophobicContact CD1-CG2 4.2Å; F29-V33 HydrophobicContact CE1-CG2 3.8Å; F29-V33 HydrophobicContact CE2-CG2 4.29Å; F29-V33 HydrophobicContact CZ-CG2 3.79Å; F29-V33 WeakPolarHBondContact O-CG2 3.49Å; F29-V33 PolarHBondContact O-N 2.74Å; F29-Y46 VanDerWaalsContact CZ-CB 3.49Å; F29-Y46 HydrophobicContact CZ-CG 4.45Å; F29-Q47 HydrophobicContact CD1-CG 3.99Å; F29-Q47 HydrophobicContact CE1-CB 4.29Å; F29-Q47 HydrophobicContact CE1-CG 3.42Å; F29-Q47 VanDerWaalsContact CE1-CG 3.42Å; F29-Q47 HydrophobicContact CZ-CG 4.44Å; F29-L50 HydrophobicContact CB-CD1 4.32Å; F29-L50 HydrophobicContact CD1-CD1 3.72Å; F29-L50 HydrophobicContact CD2-CD1 4.43Å; F29-L50 HydrophobicContact CE1-CD1 4.11Å; F29-L50 HydrophobicContact CG-CD1 3.92Å
30D91Very high87.9Confident28 Ų2875.8 Ų75.815%0.1541%0.408CS..Hα-helixtrans-61.2-47.3179.9-69.7-31.5000111.7K26 K27 C32 V33 E34 Q47K26-D30 IonicContact NZ-OD2 3.26Å; K26-D30 PolarHBondContact NZ-OD2 3.28Å; K26-D30 PolarHBondContact O-N 2.9Å; K27-D30 PolarHBondContact O-N 2.96Å; D30-C32 PolarHBondContact O-N 2.74Å; D30-V33 PolarHBondContact O-N 3.27Å; D30-V33 VanDerWaalsContact O-N 3.11Å; D30-E34 WeakPolarHBondContact O-CG 3.42Å; D30-E34 PolarHBondContact O-N 3.33Å; D30-Q47 WeakPolarHBondContact OD1-CG 3.4Å; D30-Q47 PolarHBondContact OD1-NE2 2.92Å
31E91.8Very high87.7Confident76 Ų7672.7 Ų72.736%0.35540%0.396SS..Hα-helixtrans-60-34176.2-72.2177.1-164.700112.7K27 K35K27-E31 WeakPolarHBondContact CE-OE1 3.37Å; K27-E31 WeakPolarHBondContact O-CG 3.33Å; K27-E31 PolarHBondContact O-N 3.44Å; E31-K35 WeakPolarHBondContact O-CD 3.46Å; E31-K35 VanDerWaalsContact O-CG 3.26Å; E31-K35 WeakPolarHBondContact O-CG 3.45Å; E31-K35 PolarHBondContact O-N 2.94Å
32C89.2Confident87.7Confident48 Ų4871.4 Ų71.432%0.32439%0.39SS..Hα-helixtrans-70.3-44.8176.1-177.30000110.9F2 S28 F29 D30 E34 K35 L36F2-C32 HydrophobicContact CE2-CB 3.84Å; F2-C32 WeakPolarHBondContact CE2-SG 3.18Å; F2-C32 HydrophobicContact CZ-CB 3.56Å; S28-C32 WeakPolarHBondContact O-CB 3.21Å; S28-C32 PolarHBondContact O-N 2.83Å; S28-C32 VanDerWaalsContact O-N 3.13Å; F29-C32 WeakPolarHBondContact O-CB 3.19Å; F29-C32 PolarHBondContact O-N 3.19Å; F29-C32 VanDerWaalsContact O-N 3.17Å; D30-C32 PolarHBondContact O-N 2.74Å; C32-E34 VanDerWaalsContact C-N 3.34Å; C32-E34 PolarHBondContact O-N 3.39Å; C32-K35 PolarHBondContact O-N 2.77Å; C32-L36 WeakPolarHBondContact O-CG 3.28Å; C32-L36 PolarHBondContact O-N 2.65Å
33V89.1Confident87.7Confident1 Ų172 Ų721%0.00640%0.395CS..Hα-helixtrans-61.5-42.3178.2172.50000111.3F29 D30 K35 L36 I39 Q47F29-V33 HydrophobicContact CD1-CG2 4.2Å; F29-V33 HydrophobicContact CE1-CG2 3.8Å; F29-V33 HydrophobicContact CE2-CG2 4.29Å; F29-V33 HydrophobicContact CZ-CG2 3.79Å; F29-V33 WeakPolarHBondContact O-CG2 3.49Å; F29-V33 PolarHBondContact O-N 2.74Å; D30-V33 PolarHBondContact O-N 3.27Å; D30-V33 VanDerWaalsContact O-N 3.11Å; V33-K35 PolarHBondContact O-N 3.01Å; V33-L36 WeakPolarHBondContact O-CB 3.26Å; V33-L36 PolarHBondContact O-N 2.97Å; V33-L36 VanDerWaalsContact O-N 3.13Å; V33-I39 HydrophobicContact CG1-CB 4.5Å; V33-I39 HydrophobicContact CG1-CD1 3.94Å; V33-I39 HydrophobicContact CG1-CG1 4Å; V33-I39 HydrophobicContact CG1-CG2 3.73Å; V33-Q47 HydrophobicContact CG1-CG 4.47Å; V33-Q47 HydrophobicContact CG2-CG 4.36Å
34E89.7Confident87.5Confident150 Ų15073.2 Ų73.270%0.70140%0.397SS*.Hα-helixtrans-62.7-29.5177.4-73.7178.2176.800113.4D30 C32 L36D30-E34 WeakPolarHBondContact O-CG 3.42Å; D30-E34 PolarHBondContact O-N 3.33Å; C32-E34 VanDerWaalsContact C-N 3.34Å; C32-E34 PolarHBondContact O-N 3.39Å; E34-L36 VanDerWaalsContact C-N 3.35Å
35K91Very high87.5Confident161 Ų16169.3 Ų69.370%0.737%0.369SS*.THydrogen-bonded Turntrans-82.7-10.4178-71.1170.2-172.3166.70113.4E31 C32 V33E31-K35 WeakPolarHBondContact O-CD 3.46Å; E31-K35 VanDerWaalsContact O-CG 3.26Å; E31-K35 WeakPolarHBondContact O-CG 3.45Å; E31-K35 PolarHBondContact O-N 2.94Å; C32-K35 PolarHBondContact O-N 2.77Å; V33-K35 PolarHBondContact O-N 3.01Å
36L84.1Confident87.8Confident75 Ų7567.6 Ų67.639%0.39336%0.36SS..  trans-75.4134.9179.4-67.4174.4000110.3C32 V33 E34 C38C32-L36 WeakPolarHBondContact O-CG 3.28Å; C32-L36 PolarHBondContact O-N 2.65Å; V33-L36 WeakPolarHBondContact O-CB 3.26Å; V33-L36 PolarHBondContact O-N 2.97Å; V33-L36 VanDerWaalsContact O-N 3.13Å; E34-L36 VanDerWaalsContact C-N 3.35Å; L36-C38 PolarHBondContact O-N 3.24Å
37P86.3Confident87.8Confident129 Ų12967.8 Ų67.884%0.83836%0.362SS*.SBendtrans-67.4-21.7178.128.2-35.2000112.5
38C84.7Confident87.8Confident105 Ų10564 Ų6471%0.70935%0.347SS*.SBendtrans-139.3125.5174-60.70000108L36L36-C38 PolarHBondContact O-N 3.24Å
39I84.7Confident88Confident76 Ų7660.4 Ų60.439%0.3932%0.322SS..  trans-87.5126.4174.2-55.4175.8000107.3V33 E44V33-I39 HydrophobicContact CG1-CB 4.5Å; V33-I39 HydrophobicContact CG1-CD1 3.94Å; V33-I39 HydrophobicContact CG1-CG1 4Å; V33-I39 HydrophobicContact CG1-CG2 3.73Å; I39-E44 HydrophobicContact CG2-CG 3.5Å
40S84.4Confident88.1Confident53 Ų5359.6 Ų59.637%0.37132%0.319SS..  trans-77.3147.2173.175.40000109.9Q42 S43 E44S40-Q42 PolarHBondContact O-N 2.87Å; S40-Q42 VanDerWaalsContact O-N 3.09Å; S40-S43 WeakPolarHBondContact O-CA 3.41Å; S40-S43 WeakPolarHBondContact O-CB 3.38Å; S40-S43 PolarHBondContact O-N 3.46Å; S40-S43 PolarHBondContact OG-N 3.4Å; S40-S43 PolarHBondContact OG-OG 3.23Å; S40-E44 PolarHBondContact O-N 2.84Å; S40-E44 VanDerWaalsContact O-N 3.14Å
41L81.6Confident88.1Confident104 Ų10463 Ų6355%0.54533%0.332SS..Hα-helixtrans-49.5-36.3171.4-89.1145.8000112.3E44 A45 R135 F136L41-E44 PolarHBondContact O-N 3.3Å; L41-A45 WeakPolarHBondContact O-CB 3.32Å; L41-A45 PolarHBondContact O-N 2.04Å; L41-R135 WeakPolarHBondContact CD2-O 3.3Å; L41-F136 HydrophobicContact CB-CE1 4.5Å
42Q84.2Confident88Confident67 Ų6760.3 Ų60.331%0.31332%0.321SS..Hα-helixtrans-62.7-46.2174.8178.4-176.4-10.300112S40 E44 A45 Y46 F91S40-Q42 PolarHBondContact O-N 2.87Å; S40-Q42 VanDerWaalsContact O-N 3.09Å; Q42-E44 VanDerWaalsContact C-N 3.32Å; Q42-E44 PolarHBondContact O-N 2.89Å; Q42-A45 WeakPolarHBondContact O-CB 3.44Å; Q42-A45 PolarHBondContact O-N 3.14Å; Q42-A45 VanDerWaalsContact O-N 3.17Å; Q42-Y46 HydrophobicContact CG-CD2 3.8Å; Q42-Y46 HydrophobicContact CG-CE2 3.65Å; Q42-Y46 VanDerWaalsContact O-CD2 3.22Å; Q42-Y46 WeakPolarHBondContact O-CD2 3.49Å; Q42-Y46 PolarHBondContact O-N 3.28Å; Q42-F91 HydrophobicContact CG-CD1 4.41Å; Q42-F91 HydrophobicContact CG-CE1 3.69Å; Q42-F91 HydrophobicContact CG-CZ 4.02Å
43S86.8Confident88Confident21 Ų2158.2 Ų58.215%0.14731%0.306CS..Hα-helixtrans-58.4-44.5176.9-58.80000111.2S40 A45 Y46 Q47S40-S43 WeakPolarHBondContact O-CA 3.41Å; S40-S43 WeakPolarHBondContact O-CB 3.38Å; S40-S43 PolarHBondContact O-N 3.46Å; S40-S43 PolarHBondContact OG-N 3.4Å; S40-S43 PolarHBondContact OG-OG 3.23Å; S43-A45 VanDerWaalsContact C-N 3.33Å; S43-A45 PolarHBondContact O-N 2.78Å; S43-Y46 PolarHBondContact O-N 3.41Å; S43-Q47 WeakPolarHBondContact O-CG 3.43Å; S43-Q47 PolarHBondContact O-N 3.01Å
44E87Confident88Confident66 Ų6659.8 Ų59.831%0.30832%0.317SS..Hα-helixtrans-64.1-37.4175.7-60.7-172.8171.400112.7I39 S40 L41 Q42 Q47 S48 R135I39-E44 HydrophobicContact CG2-CG 3.5Å; S40-E44 PolarHBondContact O-N 2.84Å; S40-E44 VanDerWaalsContact O-N 3.14Å; L41-E44 PolarHBondContact O-N 3.3Å; Q42-E44 VanDerWaalsContact C-N 3.32Å; Q42-E44 PolarHBondContact O-N 2.89Å; E44-Q47 PolarHBondContact O-N 2.74Å; E44-S48 WeakPolarHBondContact O-CB 3.15Å; E44-S48 PolarHBondContact O-N 3.47Å; E44-S48 PolarHBondContact O-OG 3.45Å; E44-R135 HydrophobicContact CB-CG 4.47Å
45A89Confident88Confident0 Ų059 Ų590%031%0.313CS..Hα-helixtrans-61.9-45.6175.100000110.9L41 Q42 S43 S48 F49 F132 R135 F136L41-A45 WeakPolarHBondContact O-CB 3.32Å; L41-A45 PolarHBondContact O-N 2.04Å; Q42-A45 WeakPolarHBondContact O-CB 3.44Å; Q42-A45 PolarHBondContact O-N 3.14Å; Q42-A45 VanDerWaalsContact O-N 3.17Å; S43-A45 VanDerWaalsContact C-N 3.33Å; S43-A45 PolarHBondContact O-N 2.78Å; A45-S48 PolarHBondContact O-N 3.5Å; A45-F49 WeakPolarHBondContact O-CB 3.48Å; A45-F49 PolarHBondContact O-N 3Å; A45-F132 VanDerWaalsContact C-CD2 3.46Å; A45-F132 HydrophobicContact CB-CD2 3.53Å; A45-F132 HydrophobicContact CB-CE2 3.54Å; A45-F132 HydrophobicContact CB-CG 4.1Å; A45-F132 HydrophobicContact CB-CZ 4.15Å; A45-F132 WeakPolarHBondContact O-CD2 3.43Å; A45-R135 HydrophobicContact CB-CB 3.86Å; A45-R135 HydrophobicContact CB-CG 4.04Å; A45-F136 HydrophobicContact CB-CD2 4.49Å; A45-F136 HydrophobicContact CB-CE2 3.58Å; A45-F136 HydrophobicContact CB-CZ 3.99Å
46Y90.9Very high87.5Confident24 Ų2452.4 Ų52.49%0.09429%0.288CS..Hα-helixtrans-65.2-39.9174.4-83-75.3000112.8F8 Y11 F29 Q42 S43 S48 F49 L50 F91 F132F8-Y46 WeakPolarHBondContact CA-OH 3.45Å; F8-Y46 HydrophobicContact CB-CE1 4.31Å; F8-Y46 WeakPolarHBondContact CB-OH 3.36Å; F8-Y46 AromaticContact CD2-CE1 3.94Å; F8-Y46 HydrophobicContact CD2-CE1 3.94Å; F8-Y46 PolarHBondContact N-OH 2.6Å; F8-Y46 VanDerWaalsContact N-OH 3.15Å; Y11-Y46 HydrophobicContact CD2-CE1 4.18Å; Y11-Y46 HydrophobicContact CE2-CE1 4.37Å; F29-Y46 VanDerWaalsContact CZ-CB 3.49Å; F29-Y46 HydrophobicContact CZ-CG 4.45Å; Q42-Y46 HydrophobicContact CG-CD2 3.8Å; Q42-Y46 HydrophobicContact CG-CE2 3.65Å; Q42-Y46 VanDerWaalsContact O-CD2 3.22Å; Q42-Y46 WeakPolarHBondContact O-CD2 3.49Å; Q42-Y46 PolarHBondContact O-N 3.28Å; S43-Y46 PolarHBondContact O-N 3.41Å; Y46-S48 VanDerWaalsContact C-N 3.28Å; Y46-S48 PolarHBondContact O-N 3.01Å; Y46-F49 PolarHBondContact O-N 3.35Å; Y46-L50 VanDerWaalsContact O-CB 3.31Å; Y46-L50 WeakPolarHBondContact O-CB 3.41Å; Y46-L50 VanDerWaalsContact O-CG 3.28Å; Y46-L50 WeakPolarHBondContact O-CG 3.19Å; Y46-L50 PolarHBondContact O-N 3.44Å; Y46-F91 HydrophobicContact CE2-CZ 4.41Å; Y46-F132 HydrophobicContact CD1-CE2 4.26Å; Y46-F132 AromaticContact CD2-CE2 3.96Å; Y46-F132 HydrophobicContact CD2-CE2 3.96Å; Y46-F132 HydrophobicContact CE1-CE2 4.31Å; Y46-F132 AromaticContact CE2-CE2 3.97Å; Y46-F132 HydrophobicContact CE2-CE2 3.97Å; Y46-F132 HydrophobicContact CE2-CZ 4.37Å; Y46-F132 HydrophobicContact CG-CE2 4.1Å
47Q91.6Very high87.1Confident47 Ų4755.1 Ų55.122%0.2230%0.298CS..Hα-helixtrans-58.7-44.1174.2-73.4-169.1-56.800110.9F29 D30 V33 S43 E44 K51F29-Q47 HydrophobicContact CD1-CG 3.99Å; F29-Q47 HydrophobicContact CE1-CB 4.29Å; F29-Q47 HydrophobicContact CE1-CG 3.42Å; F29-Q47 VanDerWaalsContact CE1-CG 3.42Å; F29-Q47 HydrophobicContact CZ-CG 4.44Å; D30-Q47 WeakPolarHBondContact OD1-CG 3.4Å; D30-Q47 PolarHBondContact OD1-NE2 2.92Å; V33-Q47 HydrophobicContact CG1-CG 4.47Å; V33-Q47 HydrophobicContact CG2-CG 4.36Å; S43-Q47 WeakPolarHBondContact O-CG 3.43Å; S43-Q47 PolarHBondContact O-N 3.01Å; E44-Q47 PolarHBondContact O-N 2.74Å; Q47-K51 WeakPolarHBondContact O-CB 3.17Å; Q47-K51 PolarHBondContact O-N 3.37Å
48S90.2Very high86.2Confident14 Ų1453 Ų5310%0.09829%0.287CS..Hα-helixtrans-67.8-42-179.6-540000111.8E44 A45 Y46 V52 S131 R135E44-S48 WeakPolarHBondContact O-CB 3.15Å; E44-S48 PolarHBondContact O-N 3.47Å; E44-S48 PolarHBondContact O-OG 3.45Å; A45-S48 PolarHBondContact O-N 3.5Å; Y46-S48 VanDerWaalsContact C-N 3.28Å; Y46-S48 PolarHBondContact O-N 3.01Å; S48-V52 PolarHBondContact O-N 3.44Å; S48-V52 VanDerWaalsContact O-N 3.14Å; S48-S131 VanDerWaalsContact CB-O 3.28Å; S48-S131 WeakPolarHBondContact CB-O 3.31Å; S48-S131 WeakPolarHBondContact CB-OG 3.43Å; S48-S131 PolarHBondContact O-OG 2.97Å; S48-R135 PolarHBondContact OG-NE 3.42Å; S48-R135 PolarHBondContact OG-NH2 2.85Å
49F91.2Very high85.5Confident0 Ų054.4 Ų54.40%028%0.283CS..Hα-helixtrans-59.8-55.7172.7171.1-100.3000111.8F8 Y11 F12 A45 Y46 K51 V52 F53 M128 F132F8-F49 HydrophobicContact CE2-CB 4.48Å; F8-F49 HydrophobicContact CE2-CD1 4.48Å; F8-F49 AromaticContact CE2-CD2 3.78Å; F8-F49 HydrophobicContact CE2-CD2 3.78Å; F8-F49 HydrophobicContact CE2-CE2 4.12Å; F8-F49 AromaticContact CE2-CG 3.97Å; F8-F49 HydrophobicContact CE2-CG 3.97Å; F8-F49 HydrophobicContact CZ-CD2 4.33Å; Y11-F49 HydrophobicContact CD1-CE1 4.12Å; Y11-F49 HydrophobicContact CG-CE1 4.15Å; F12-F49 HydrophobicContact CD2-CD2 4.47Å; F12-F49 AromaticContact CD2-CE2 3.69Å; F12-F49 HydrophobicContact CD2-CE2 3.69Å; F12-F49 HydrophobicContact CD2-CZ 4.3Å; F12-F49 HydrophobicContact CE2-CD2 4.12Å; F12-F49 AromaticContact CE2-CE2 3.59Å; F12-F49 HydrophobicContact CE2-CE2 3.59Å; A45-F49 WeakPolarHBondContact O-CB 3.48Å; A45-F49 PolarHBondContact O-N 3Å; Y46-F49 PolarHBondContact O-N 3.35Å; F49-K51 PolarHBondContact O-N 3.13Å; F49-V52 PolarHBondContact O-N 3.13Å; F49-V52 VanDerWaalsContact O-N 3.14Å; F49-F53 HydrophobicContact CE1-CB 4.4Å; F49-F53 HydrophobicContact CE1-CD2 4.29Å; F49-F53 HydrophobicContact CE1-CG 4.46Å; F49-F53 HydrophobicContact CE2-CD2 4.47Å; F49-F53 HydrophobicContact CZ-CB 4.39Å; F49-F53 AromaticContact CZ-CD2 3.8Å; F49-F53 HydrophobicContact CZ-CD2 3.8Å; F49-F53 HydrophobicContact CZ-CE2 4.49Å; F49-F53 HydrophobicContact CZ-CG 4.36Å; F49-F53 VanDerWaalsContact O-CB 3.28Å; F49-F53 WeakPolarHBondContact O-CB 3.5Å; F49-F53 PolarHBondContact O-N 3.46Å; F49-M128 HydrophobicContact CD2-CB 4.3Å; F49-M128 HydrophobicContact CE2-CB 4.07Å; F49-M128 HydrophobicContact CE2-CG 4.44Å; F49-M128 HydrophobicContact CE2-SD 4.28Å; F49-F132 HydrophobicContact CB-CB 4.09Å; F49-F132 HydrophobicContact CB-CD2 4.03Å
50L91.6Very high84.7Confident6 Ų653.3 Ų53.33%0.03128%0.276CS..Hα-helixtrans-62.8-33.3-177.8-71.8174.7000111.7Y11 I22 K26 F29 Y46 C54Y11-L50 HydrophobicContact CE1-CD2 4.29Å; I22-L50 HydrophobicContact CG2-CD2 3.46Å; I22-L50 VanDerWaalsContact CG2-CD2 3.46Å; K26-L50 HydrophobicContact CD-CB 4.42Å; K26-L50 HydrophobicContact CG-CB 4.23Å; F29-L50 HydrophobicContact CB-CD1 4.32Å; F29-L50 HydrophobicContact CD1-CD1 3.72Å; F29-L50 HydrophobicContact CD2-CD1 4.43Å; F29-L50 HydrophobicContact CE1-CD1 4.11Å; F29-L50 HydrophobicContact CG-CD1 3.92Å; Y46-L50 VanDerWaalsContact O-CB 3.31Å; Y46-L50 WeakPolarHBondContact O-CB 3.41Å; Y46-L50 VanDerWaalsContact O-CG 3.28Å; Y46-L50 WeakPolarHBondContact O-CG 3.19Å; Y46-L50 PolarHBondContact O-N 3.44Å; L50-C54 WeakPolarHBondContact O-CB 3.31Å; L50-C54 PolarHBondContact O-N 2.99Å; L50-C54 PolarHBondContact O-SG 2.96Å; L50-C54 VanDerWaalsContact O-SG 3.32Å
51K91.4Very high84Confident99 Ų9951.1 Ų51.143%0.4326%0.26SS..Hα-helixtrans-59.4-56.1171.9-173.9180-178.6-1790110.9Q47 F49 F53 C54 E55Q47-K51 WeakPolarHBondContact O-CB 3.17Å; Q47-K51 PolarHBondContact O-N 3.37Å; F49-K51 PolarHBondContact O-N 3.13Å; K51-F53 VanDerWaalsContact C-N 3.32Å; K51-F53 PolarHBondContact O-N 2.86Å; K51-C54 PolarHBondContact O-N 3.45Å; K51-E55 VanDerWaalsContact CE-CD 3.44Å; K51-E55 WeakPolarHBondContact CE-OE1 3.36Å; K51-E55 WeakPolarHBondContact CE-OE2 2.9Å; K51-E55 HydrophobicContact CG-CG 4.24Å; K51-E55 WeakPolarHBondContact CG-OE1 3.31Å; K51-E55 WeakPolarHBondContact CG-OE2 3.29Å; K51-E55 WeakPolarHBondContact O-CB 3.01Å; K51-E55 VanDerWaalsContact O-CG 3.25Å; K51-E55 WeakPolarHBondContact O-CG 3.41Å; K51-E55 PolarHBondContact O-N 3.47Å
52V89.4Confident83.7Confident20 Ų2049.6 Ų49.612%0.12125%0.254CS..Hα-helixtrans-61.9-42.3179.2172.20000111.5S48 F49 S56 K127 M128 S131S48-V52 PolarHBondContact O-N 3.44Å; S48-V52 VanDerWaalsContact O-N 3.14Å; F49-V52 PolarHBondContact O-N 3.13Å; F49-V52 VanDerWaalsContact O-N 3.14Å; V52-S56 WeakPolarHBondContact O-CB 3.21Å; V52-S56 PolarHBondContact O-N 3.35Å; V52-S56 PolarHBondContact O-OG 3.01Å; V52-K127 HydrophobicContact CG1-CD 4.07Å; V52-K127 HydrophobicContact CG1-CG 3.97Å; V52-M128 HydrophobicContact CG1-CG 4.17Å; V52-S131 VanDerWaalsContact CG2-OG 3.26Å; V52-S131 WeakPolarHBondContact CG2-OG 3.42Å
53F89Confident83.5Confident4 Ų454.6 Ų54.62%0.01828%0.275CS..Hα-helixtrans-61.5-46.3179.7-177.8-82000111.7G15 P19 I22 F49 K51 Y61 M128G15-F53 WeakPolarHBondContact O-CZ 3.36Å; P19-F53 HydrophobicContact CB-CE1 4.06Å; P19-F53 HydrophobicContact CB-CZ 4.18Å; I22-F53 HydrophobicContact CB-CE1 3.87Å; I22-F53 HydrophobicContact CB-CZ 4.4Å; I22-F53 HydrophobicContact CD1-CE1 4.07Å; I22-F53 HydrophobicContact CD1-CE2 4.45Å; I22-F53 HydrophobicContact CD1-CZ 3.71Å; I22-F53 HydrophobicContact CG2-CD1 3.91Å; I22-F53 HydrophobicContact CG2-CE1 3.66Å; I22-F53 HydrophobicContact CG2-CZ 4.34Å; F49-F53 HydrophobicContact CE1-CB 4.4Å; F49-F53 HydrophobicContact CE1-CD2 4.29Å; F49-F53 HydrophobicContact CE1-CG 4.46Å; F49-F53 HydrophobicContact CE2-CD2 4.47Å; F49-F53 HydrophobicContact CZ-CB 4.39Å; F49-F53 AromaticContact CZ-CD2 3.8Å; F49-F53 HydrophobicContact CZ-CD2 3.8Å; F49-F53 HydrophobicContact CZ-CE2 4.49Å; F49-F53 HydrophobicContact CZ-CG 4.36Å; F49-F53 VanDerWaalsContact O-CB 3.28Å; F49-F53 WeakPolarHBondContact O-CB 3.5Å; F49-F53 PolarHBondContact O-N 3.46Å; K51-F53 VanDerWaalsContact C-N 3.32Å; K51-F53 PolarHBondContact O-N 2.86Å; F53-Y61 HydrophobicContact CD2-CE1 4.09Å; F53-Y61 AromaticContact CD2-CZ 3.95Å; F53-Y61 HydrophobicContact CE1-CE1 4.42Å; F53-Y61 AromaticContact CE2-CE1 3.43Å; F53-Y61 HydrophobicContact CE2-CE1 3.43Å; F53-Y61 VanDerWaalsContact CE2-CE1 3.43Å; F53-Y61 AromaticContact CE2-CZ 3.53Å; F53-Y61 WeakPolarHBondContact CE2-OH 2.89Å; F53-Y61 HydrophobicContact CZ-CD1 4.5Å; F53-Y61 AromaticContact CZ-CE1 3.6Å; F53-Y61 HydrophobicContact CZ-CE1 3.6Å; F53-M128 HydrophobicContact CD2-SD 3.77Å
54C90.2Very high83.3Confident34 Ų3454.6 Ų54.623%0.2327%0.274CS..Hα-helixtrans-88.2-21-174.8-64.80000115.4C23 K26 L50 K51 S56C23-C54 WeakPolarHBondContact CA-SG 3.32Å; C23-C54 HydrophobicContact CB-CB 3.81Å; C23-C54 WeakPolarHBondContact CB-SG 3.1Å; C23-C54 WeakPolarHBondContact SG-CA 3.48Å; C23-C54 WeakPolarHBondContact SG-CB 3.26Å; C23-C54 CovalentContact SG-SG 2.05Å; C23-C54 PolarHBondContact SG-SG 3.47Å; K26-C54 HydrophobicContact CD-CB 3.96Å; L50-C54 WeakPolarHBondContact O-CB 3.31Å; L50-C54 PolarHBondContact O-N 2.99Å; L50-C54 PolarHBondContact O-SG 2.96Å; L50-C54 VanDerWaalsContact O-SG 3.32Å; K51-C54 PolarHBondContact O-N 3.45Å; C54-S56 VanDerWaalsContact C-N 3.31Å
55E88.3Confident83.2Confident133 Ų13351.5 Ų51.562%0.62126%0.259SS*.Hα-helixtrans-85.7-7.5174.7-69176.9176.500112.5K51K51-E55 VanDerWaalsContact CE-CD 3.44Å; K51-E55 WeakPolarHBondContact CE-OE1 3.36Å; K51-E55 WeakPolarHBondContact CE-OE2 2.9Å; K51-E55 HydrophobicContact CG-CG 4.24Å; K51-E55 WeakPolarHBondContact CG-OE1 3.31Å; K51-E55 WeakPolarHBondContact CG-OE2 3.29Å; K51-E55 WeakPolarHBondContact O-CB 3.01Å; K51-E55 VanDerWaalsContact O-CG 3.25Å; K51-E55 WeakPolarHBondContact O-CG 3.41Å; K51-E55 PolarHBondContact O-N 3.47Å
56S81.5Confident83Confident24 Ų2454.8 Ų54.817%0.16828%0.282CS..SBendtrans-75.7142175-650000110.6V52 C54 S58 H124V52-S56 WeakPolarHBondContact O-CB 3.21Å; V52-S56 PolarHBondContact O-N 3.35Å; V52-S56 PolarHBondContact O-OG 3.01Å; C54-S56 VanDerWaalsContact C-N 3.31Å; S56-S58 PolarHBondContact O-N 3Å; S56-H124 VanDerWaalsContact CB-CE1 3.46Å; S56-H124 WeakPolarHBondContact CB-CE1 3.06Å; S56-H124 PolarHBondContact OG-CE1 3.21Å
57E75Confident82.9Confident132 Ų13254.9 Ų54.962%0.61729%0.286SS*.  trans-50.8110.9-179.8-67.9175.4177.200110.1E59 E60 Y61 R120E57-E59 VanDerWaalsContact C-N 3.28Å; E57-E59 PolarHBondContact O-N 3.49Å; E57-E60 HydrophobicContact CB-CB 4.35Å; E57-E60 PolarHBondContact O-N 3.14Å; E57-E60 VanDerWaalsContact O-N 3.15Å; E57-Y61 PolarHBondContact O-N 3.41Å; E57-R120 IonicContact OE2-NH2 3.7Å
58S67.9Low82.8Confident84 Ų8452.7 Ų52.759%0.58728%0.276SS*.Hα-helixtrans-58.7-39.3-169.956.20000112.2S56 E60 Y61 V62S56-S58 PolarHBondContact O-N 3Å; S58-E60 PolarHBondContact O-N 3.23Å; S58-Y61 PolarHBondContact O-N 3.15Å; S58-V62 WeakPolarHBondContact O-CB 3.45Å; S58-V62 WeakPolarHBondContact O-CG2 3.17Å; S58-V62 PolarHBondContact O-N 3.25Å
59E69Low82.7Confident135 Ų13552.2 Ų52.263%0.63127%0.273SS*.Hα-helixtrans-61.6-44178.9-70.5-172.2175.200112.2E57 K63E57-E59 VanDerWaalsContact C-N 3.28Å; E57-E59 PolarHBondContact O-N 3.49Å; E59-K63 WeakPolarHBondContact O-CB 3.42Å; E59-K63 PolarHBondContact O-N 3.44Å; E59-K63 VanDerWaalsContact O-N 3.11Å
60E68.7Low82.6Confident52 Ų5258.2 Ų58.224%0.24330%0.301CS..Hα-helixtrans-71-40.6-179.4-167.3174.5-137.300110.7E57 S58 K63 L64 R120E57-E60 HydrophobicContact CB-CB 4.35Å; E57-E60 PolarHBondContact O-N 3.14Å; E57-E60 VanDerWaalsContact O-N 3.15Å; S58-E60 PolarHBondContact O-N 3.23Å; E60-K63 PolarHBondContact O-N 3.13Å; E60-L64 HydrophobicContact CG-CD1 3.84Å; E60-L64 HydrophobicContact CG-CG 4.22Å; E60-L64 WeakPolarHBondContact O-CB 3.41Å; E60-L64 VanDerWaalsContact O-CG 3.24Å; E60-L64 WeakPolarHBondContact O-CG 3.49Å; E60-L64 PolarHBondContact O-N 3.48Å; E60-R120 VanDerWaalsContact CD-NE 3.29Å; E60-R120 WeakPolarHBondContact OE1-CD 3.25Å; E60-R120 IonicContact OE1-CZ 3.67Å; E60-R120 IonicContact OE1-NE 3.39Å; E60-R120 PolarHBondContact OE1-NE 3.45Å; E60-R120 IonicContact OE1-NH1 2.93Å; E60-R120 PolarHBondContact OE1-NH1 3.49Å; E60-R120 IonicContact OE1-NH2 2.9Å; E60-R120 IonicContact OE2-CZ 2.88Å; E60-R120 IonicContact OE2-NE 2.76Å; E60-R120 PolarHBondContact OE2-NE 2.98Å; E60-R120 IonicContact OE2-NH1 3.82Å; E60-R120 PolarHBondContact OE2-NH1 2.9Å; E60-R120 IonicContact OE2-NH2 3.78Å; E60-R120 PolarHBondContact OE2-NH2 3.39Å
61Y70.6Confident82.4Confident7 Ų758.5 Ų58.53%0.02730%0.302CS..Hα-helixtrans-66.8-39.3177.8-169.5-109.4000112.8P16 P19 F53 E57 S58 K63 L64 G65 H124 M128P16-Y61 HydrophobicContact CB-CE1 3.95Å; P16-Y61 HydrophobicContact CG-CE1 4.41Å; P16-Y61 VanDerWaalsContact CG-OH 3.32Å; P16-Y61 WeakPolarHBondContact CG-OH 3.32Å; P19-Y61 HydrophobicContact CB-CD1 4.27Å; F53-Y61 HydrophobicContact CD2-CE1 4.09Å; F53-Y61 AromaticContact CD2-CZ 3.95Å; F53-Y61 HydrophobicContact CE1-CE1 4.42Å; F53-Y61 AromaticContact CE2-CE1 3.43Å; F53-Y61 HydrophobicContact CE2-CE1 3.43Å; F53-Y61 VanDerWaalsContact CE2-CE1 3.43Å; F53-Y61 AromaticContact CE2-CZ 3.53Å; F53-Y61 WeakPolarHBondContact CE2-OH 2.89Å; F53-Y61 HydrophobicContact CZ-CD1 4.5Å; F53-Y61 AromaticContact CZ-CE1 3.6Å; F53-Y61 HydrophobicContact CZ-CE1 3.6Å; E57-Y61 PolarHBondContact O-N 3.41Å; S58-Y61 PolarHBondContact O-N 3.15Å; Y61-K63 VanDerWaalsContact C-N 3.3Å; Y61-K63 PolarHBondContact O-N 3.18Å; Y61-L64 PolarHBondContact O-N 2.75Å; Y61-G65 WeakPolarHBondContact O-CA 3.45Å; Y61-G65 PolarHBondContact O-N 3.31Å; Y61-H124 AromaticContact CD2-CD2 3.56Å; Y61-H124 AromaticContact CD2-CE1 3.71Å; Y61-H124 AromaticContact CD2-NE2 3.1Å; Y61-H124 WeakPolarHBondContact CD2-NE2 3.19Å; Y61-H124 AromaticContact CE2-CD2 3.38Å; Y61-H124 WeakPolarHBondContact CE2-CD2 3.3Å; Y61-H124 AromaticContact CE2-NE2 3.06Å; Y61-H124 WeakPolarHBondContact CE2-NE2 3.16Å; Y61-M128 HydrophobicContact CE2-CE 3.98Å; Y61-M128 HydrophobicContact CE2-SD 3.91Å; Y61-M128 PolarHBondContact OH-SD 3.01Å
62V75.3Confident82.2Confident72 Ų7254 Ų5444%0.43628%0.283SS..Hα-helixtrans-61.3-43173.9169.20000110.4P19 S58 G65P19-V62 HydrophobicContact CG-CG2 3.76Å; S58-V62 WeakPolarHBondContact O-CB 3.45Å; S58-V62 WeakPolarHBondContact O-CG2 3.17Å; S58-V62 PolarHBondContact O-N 3.25Å; V62-G65 PolarHBondContact O-N 2.92Å
63K79.6Confident81.9Confident173 Ų17356.3 Ų56.375%0.75230%0.296SS*.Hα-helixtrans-65.5-44.4179.4-171.1179.5-178.6-178.30112.4E59 E60 Y61E59-K63 WeakPolarHBondContact O-CB 3.42Å; E59-K63 PolarHBondContact O-N 3.44Å; E59-K63 VanDerWaalsContact O-N 3.11Å; E60-K63 PolarHBondContact O-N 3.13Å; Y61-K63 VanDerWaalsContact C-N 3.3Å; Y61-K63 PolarHBondContact O-N 3.18Å
64L82.8Confident81.6Confident21 Ų2162.9 Ų62.911%0.1133%0.327CS..Hα-helixtrans-77.7-29178.5-63.4179.1000111.9E60 Y61 S66 C67 I68 S118 A121E60-L64 HydrophobicContact CG-CD1 3.84Å; E60-L64 HydrophobicContact CG-CG 4.22Å; E60-L64 WeakPolarHBondContact O-CB 3.41Å; E60-L64 VanDerWaalsContact O-CG 3.24Å; E60-L64 WeakPolarHBondContact O-CG 3.49Å; E60-L64 PolarHBondContact O-N 3.48Å; Y61-L64 PolarHBondContact O-N 2.75Å; L64-S66 PolarHBondContact O-N 2.95Å; L64-C67 PolarHBondContact O-N 3.4Å; L64-C67 VanDerWaalsContact O-N 3.15Å; L64-I68 HydrophobicContact CB-CD1 3.94Å; L64-I68 VanDerWaalsContact O-CG1 3.32Å; L64-I68 WeakPolarHBondContact O-CG1 3.43Å; L64-I68 PolarHBondContact O-N 3.26Å; L64-S118 WeakPolarHBondContact CD2-OG 3.4Å; L64-A121 HydrophobicContact CB-CB 4.25Å; L64-A121 HydrophobicContact CD1-CB 4.1Å; L64-A121 HydrophobicContact CD2-CB 4.08Å; L64-A121 HydrophobicContact CG-CB 4.36Å
65G83.8Confident81.2Confident0 Ų062.4 Ų62.40%032%0.324CS..Hα-helixtrans-65.6-42.1-167.300000113.5P16 Y61 V62 C67 I68 A69P16-G65 WeakPolarHBondContact CB-O 3.38Å; Y61-G65 WeakPolarHBondContact O-CA 3.45Å; Y61-G65 PolarHBondContact O-N 3.31Å; V62-G65 PolarHBondContact O-N 2.92Å; G65-C67 VanDerWaalsContact C-N 3.28Å; G65-C67 PolarHBondContact O-N 2.99Å; G65-I68 PolarHBondContact O-N 2.91Å; G65-A69 WeakPolarHBondContact O-CB 3.18Å; G65-A69 PolarHBondContact O-N 3.5Å
66S84.7Confident80.8Confident69 Ų6960.4 Ų60.448%0.48332%0.321SS..Hα-helixtrans-60.3-40.7175-65.20000111.7L64 Q70L64-S66 PolarHBondContact O-N 2.95Å; S66-Q70 WeakPolarHBondContact O-CB 3.36Å; S66-Q70 PolarHBondContact O-N 2.85Å
67C90.2Very high80.8Confident27 Ų2762.5 Ų62.518%0.18233%0.328CS..Hα-helixtrans-71.2-45.5177.6-173.70000111.8L64 G65 A69 Q70 Q71 C117L64-C67 PolarHBondContact O-N 3.4Å; L64-C67 VanDerWaalsContact O-N 3.15Å; G65-C67 VanDerWaalsContact C-N 3.28Å; G65-C67 PolarHBondContact O-N 2.99Å; C67-A69 VanDerWaalsContact C-N 3.35Å; C67-A69 PolarHBondContact O-N 2.99Å; C67-Q70 PolarHBondContact O-N 3.35Å; C67-Q71 WeakPolarHBondContact O-CG 3.49Å; C67-Q71 PolarHBondContact O-N 3.38Å; C67-C117 HydrophobicContact CB-CB 3.75Å; C67-C117 WeakPolarHBondContact CB-SG 3.42Å; C67-C117 WeakPolarHBondContact SG-CA 3.18Å; C67-C117 WeakPolarHBondContact SG-CB 3.26Å; C67-C117 CovalentContact SG-SG 2.03Å; C67-C117 PolarHBondContact SG-SG 3.13Å
68I88.7Confident81.1Confident0 Ų064.5 Ų64.50%034%0.337CS..Hα-helixtrans-56.9-50.2175.7-69.3163.7000110L64 G65 Q70 Q71 L72 I113 A121 V125L64-I68 HydrophobicContact CB-CD1 3.94Å; L64-I68 VanDerWaalsContact O-CG1 3.32Å; L64-I68 WeakPolarHBondContact O-CG1 3.43Å; L64-I68 PolarHBondContact O-N 3.26Å; G65-I68 PolarHBondContact O-N 2.91Å; I68-Q70 VanDerWaalsContact C-N 3.32Å; I68-Q70 PolarHBondContact O-N 2.69Å; I68-Q71 PolarHBondContact O-N 3.04Å; I68-L72 HydrophobicContact CG2-CD1 3.67Å; I68-L72 HydrophobicContact CG2-CG 4.24Å; I68-L72 WeakPolarHBondContact O-CB 3.23Å; I68-L72 VanDerWaalsContact O-CG 3.3Å; I68-L72 WeakPolarHBondContact O-CG 3.35Å; I68-L72 PolarHBondContact O-N 2.92Å; I68-I113 HydrophobicContact CG1-CG2 4.15Å; I68-A121 HydrophobicContact CD1-CB 3.92Å; I68-A121 HydrophobicContact CG1-CB 3.93Å; I68-V125 HydrophobicContact CB-CG2 4.46Å; I68-V125 HydrophobicContact CD1-CG2 3.89Å; I68-V125 HydrophobicContact CG1-CG2 4.02Å; I68-V125 HydrophobicContact CG2-CG2 3.56Å
69A88.3Confident81.8Confident5 Ų567.6 Ų67.64%0.04134%0.336CS..Hα-helixtrans-58.2-44.6178.300000111.2F13 P16 L17 G65 C67 Q71 L72 V73F13-A69 VanDerWaalsContact O-CB 3.28Å; F13-A69 WeakPolarHBondContact O-CB 3.26Å; P16-A69 HydrophobicContact CG-CB 4.45Å; L17-A69 HydrophobicContact CD2-CB 4.33Å; L17-A69 HydrophobicContact CG-CB 4.29Å; G65-A69 WeakPolarHBondContact O-CB 3.18Å; G65-A69 PolarHBondContact O-N 3.5Å; C67-A69 VanDerWaalsContact C-N 3.35Å; C67-A69 PolarHBondContact O-N 2.99Å; A69-Q71 PolarHBondContact O-N 3.37Å; A69-L72 PolarHBondContact O-N 2.03Å; A69-V73 WeakPolarHBondContact O-CB 3.36Å; A69-V73 WeakPolarHBondContact O-CG2 3.42Å; A69-V73 PolarHBondContact O-N 3.24Å
70Q87.7Confident82.6Confident125 Ų12561.4 Ų61.458%0.58431%0.308SS*.Hα-helixtrans-60.5-44.8176.3-173.1178.94.400112.1S66 C67 I68 L72 Q74S66-Q70 WeakPolarHBondContact O-CB 3.36Å; S66-Q70 PolarHBondContact O-N 2.85Å; C67-Q70 PolarHBondContact O-N 3.35Å; I68-Q70 VanDerWaalsContact C-N 3.32Å; I68-Q70 PolarHBondContact O-N 2.69Å; Q70-L72 VanDerWaalsContact C-N 3.34Å; Q70-L72 PolarHBondContact O-N 3.07Å; Q70-Q74 CarbonylContact O-C 3.28Å; Q70-Q74 PolarHBondContact O-N 3.19Å
71Q89.3Confident83.1Confident13 Ų1362.2 Ų62.26%0.06132%0.319CS..Hα-helixtrans-69.3-30.1179.4-66.7-58.6-5700113.1C67 I68 A69 P75 T76 V109 S112 I113 N116C67-Q71 WeakPolarHBondContact O-CG 3.49Å; C67-Q71 PolarHBondContact O-N 3.38Å; I68-Q71 PolarHBondContact O-N 3.04Å; A69-Q71 PolarHBondContact O-N 3.37Å; Q71-P75 WeakPolarHBondContact O-CA 3.47Å; Q71-T76 PolarHBondContact OE1-OG1 2.82Å; Q71-V109 HydrophobicContact CB-CG1 4.15Å; Q71-V109 WeakPolarHBondContact O-CG1 3.48Å; Q71-S112 PolarHBondContact OE1-OG 2.81Å; Q71-I113 HydrophobicContact CB-CD1 4.43Å; Q71-I113 HydrophobicContact CB-CG1 3.62Å; Q71-I113 HydrophobicContact CG-CG1 4.08Å; Q71-N116 HydrophobicContact CG-CB 4.5Å; Q71-N116 PolarHBondContact NE2-ND2 3.45Å; Q71-N116 PolarHBondContact OE1-ND2 3.34Å
72L85.9Confident83Confident4 Ų464.2 Ų64.22%0.02133%0.33CS..Hα-helixtrans-78.5-43.1176.4-68.9175000111.9F12 F13 I68 A69 Q70 L106 V109 I113F12-L72 HydrophobicContact CD1-CD1 4.25Å; F13-L72 HydrophobicContact CD1-CB 3.74Å; F13-L72 HydrophobicContact CE1-CB 3.79Å; F13-L72 WeakPolarHBondContact CE1-O 3.34Å; F13-L72 HydrophobicContact CG-CB 4.22Å; F13-L72 HydrophobicContact CZ-CB 4.27Å; I68-L72 HydrophobicContact CG2-CD1 3.67Å; I68-L72 HydrophobicContact CG2-CG 4.24Å; I68-L72 WeakPolarHBondContact O-CB 3.23Å; I68-L72 VanDerWaalsContact O-CG 3.3Å; I68-L72 WeakPolarHBondContact O-CG 3.35Å; I68-L72 PolarHBondContact O-N 2.92Å; A69-L72 PolarHBondContact O-N 2.03Å; Q70-L72 VanDerWaalsContact C-N 3.34Å; Q70-L72 PolarHBondContact O-N 3.07Å; L72-L106 HydrophobicContact CD2-CD2 3.49Å; L72-L106 VanDerWaalsContact CD2-CD2 3.49Å; L72-V109 HydrophobicContact CD2-CB 4.46Å; L72-V109 HydrophobicContact CD2-CG1 4.12Å; L72-I113 HydrophobicContact CD2-CD1 4.21Å; L72-I113 HydrophobicContact CG-CD1 4.41Å
73V84.4Confident82.7Confident68 Ų6864.6 Ų64.641%0.41233%0.334SS..Hα-helixtrans-72.4-38.4-179.7176.40000111.4F13 Y14 A69F13-V73 HydrophobicContact CB-CG2 4.47Å; F13-V73 HydrophobicContact CD1-CG2 4Å; Y14-V73 HydrophobicContact CE1-CG2 4.34Å; A69-V73 WeakPolarHBondContact O-CB 3.36Å; A69-V73 WeakPolarHBondContact O-CG2 3.42Å; A69-V73 PolarHBondContact O-N 3.24Å
74Q81.3Confident82.2Confident143 Ų14362.7 Ų62.767%0.66833%0.332SS*.SBendtrans-132.282177.1-66.6-175.75.100109.9Q70 T76Q70-Q74 CarbonylContact O-C 3.28Å; Q70-Q74 PolarHBondContact O-N 3.19Å; Q74-T76 PolarHBondContact O-N 2.78Å
75P81.2Confident81.5Confident23 Ų2368.8 Ų68.815%0.14936%0.36CS..  trans-56.9129.6175.3-22.333.1000110.6Q71 E77 C80 V109Q71-P75 WeakPolarHBondContact O-CA 3.47Å; P75-E77 PolarHBondContact O-N 3.02Å; P75-C80 HydrophobicContact CB-CB 3.71Å; P75-C80 HydrophobicContact CG-CB 4.16Å; P75-V109 HydrophobicContact CB-CG2 4.06Å; P75-V109 HydrophobicContact CG-CG2 4.04Å
76T80.4Confident80.6Confident92 Ų9269.2 Ų69.256%0.56436%0.362SS*.SBendtrans-60-30.2178.3-46.90000111.5Q71 Q74 S112 N116Q71-T76 PolarHBondContact OE1-OG1 2.82Å; Q74-T76 PolarHBondContact O-N 2.78Å; T76-S112 PolarHBondContact OG1-OG 2.88Å; T76-N116 PolarHBondContact OG1-ND2 3.27Å
77E82.1Confident79.4Confident67 Ų6770 Ų7031%0.31336%0.361SS..SBendtrans-92.3113.4172.9-58.6-173.4142.500110.3P75 R79 C80P75-E77 PolarHBondContact O-N 3.02Å; E77-R79 HydrophobicContact CB-CG 4.02Å; E77-R79 VanDerWaalsContact CD-CZ 3.47Å; E77-R79 PolarHBondContact O-N 2.83Å; E77-R79 IonicContact OE1-CZ 2.64Å; E77-R79 IonicContact OE1-NE 3.42Å; E77-R79 IonicContact OE1-NH1 2.71Å; E77-R79 IonicContact OE1-NH2 3.56Å; E77-R79 PolarHBondContact OE1-NH2 3.45Å; E77-R79 IonicContact OE2-CZ 2.66Å; E77-R79 IonicContact OE2-NE 2.78Å; E77-R79 PolarHBondContact OE2-NE 3.28Å; E77-R79 IonicContact OE2-NH2 2.67Å; E77-R79 PolarHBondContact OE2-NH2 3.06Å; E77-C80 PolarHBondContact O-N 2.94Å
78E80.3Confident78.1Confident175 Ų17577.1 Ų77.182%0.81839%0.389SS*.G310 helixtrans-51.9-29.4178.8-74.3-176.5166.800113.1C80 S81E78-C80 PolarHBondContact O-N 3.5Å; E78-S81 VanDerWaalsContact O-CB 3.25Å; E78-S81 WeakPolarHBondContact O-CB 3.37Å; E78-S81 PolarHBondContact O-N 3.47Å; E78-S81 PolarHBondContact O-OG 2.82Å
79R84.2Confident76.7Confident148 Ų14881.1 Ų81.156%0.55841%0.407SS*.G310 helixtrans-62.1-23.7177.474.8179.1179.1-154.9-2.7114.1E77 S81E77-R79 HydrophobicContact CB-CG 4.02Å; E77-R79 VanDerWaalsContact CD-CZ 3.47Å; E77-R79 PolarHBondContact O-N 2.83Å; E77-R79 IonicContact OE1-CZ 2.64Å; E77-R79 IonicContact OE1-NE 3.42Å; E77-R79 IonicContact OE1-NH1 2.71Å; E77-R79 IonicContact OE1-NH2 3.56Å; E77-R79 PolarHBondContact OE1-NH2 3.45Å; E77-R79 IonicContact OE2-CZ 2.66Å; E77-R79 IonicContact OE2-NE 2.78Å; E77-R79 PolarHBondContact OE2-NE 3.28Å; E77-R79 IonicContact OE2-NH2 2.67Å; E77-R79 PolarHBondContact OE2-NH2 3.06Å; R79-S81 VanDerWaalsContact C-N 3.31Å
80C85.9Confident75.2Confident6 Ų685.6 Ų85.64%0.04144%0.439CS..G310 helixtrans-91.54.7178.4-520000111.7P75 E77 E78 L82 L105 C108 V109P75-C80 HydrophobicContact CB-CB 3.71Å; P75-C80 HydrophobicContact CG-CB 4.16Å; E77-C80 PolarHBondContact O-N 2.94Å; E78-C80 PolarHBondContact O-N 3.5Å; C80-L82 PolarHBondContact O-N 3.36Å; C80-L105 HydrophobicContact CB-CD1 4.41Å; C80-L105 WeakPolarHBondContact O-CD1 3.25Å; C80-C108 WeakPolarHBondContact CA-SG 3.13Å; C80-C108 HydrophobicContact CB-CB 3.8Å; C80-C108 WeakPolarHBondContact CB-SG 3.38Å; C80-C108 WeakPolarHBondContact SG-CB 3.4Å; C80-C108 PolarHBondContact SG-O 3.36Å; C80-C108 CovalentContact SG-SG 2.03Å; C80-C108 PolarHBondContact SG-SG 3.3Å; C80-V109 HydrophobicContact CB-CG2 3.68Å
81S78.6Confident73.6Confident68 Ų6883.7 Ų83.748%0.47643%0.429SS..PPolyproline II helixtrans-67.9127.3177.5-51.90000110.1E78 R79E78-S81 VanDerWaalsContact O-CB 3.25Å; E78-S81 WeakPolarHBondContact O-CB 3.37Å; E78-S81 PolarHBondContact O-N 3.47Å; E78-S81 PolarHBondContact O-OG 2.82Å; R79-S81 VanDerWaalsContact C-N 3.31Å
82L68.5Low72.1Confident49 Ų4986 Ų8626%0.25745%0.446SS..PPolyproline II helixtrans-72.8135.9175.3-76.8179000111.1F13 C80 V86 L105F13-L82 HydrophobicContact CZ-CD1 4.13Å; C80-L82 PolarHBondContact O-N 3.36Å; L82-V86 HydrophobicContact CD1-CB 4.29Å; L82-V86 HydrophobicContact CD1-CG1 4.18Å; L82-V86 HydrophobicContact CD2-CB 3.8Å; L82-V86 HydrophobicContact CD2-CG1 3.75Å; L82-V86 HydrophobicContact CD2-CG2 3.88Å; L82-V86 HydrophobicContact CG-CB 4.45Å; L82-L105 HydrophobicContact CD1-CD2 3.43Å; L82-L105 VanDerWaalsContact CD1-CD2 3.43Å; L82-L105 HydrophobicContact CD2-CB 4.08Å; L82-L105 HydrophobicContact CD2-CD1 3.92Å; L82-L105 HydrophobicContact CD2-CD2 3.81Å; L82-L105 HydrophobicContact CD2-CG 4.14Å; L82-L105 HydrophobicContact CG-CD1 3.83Å; L82-L105 HydrophobicContact CG-CD2 3.56Å; L82-L105 HydrophobicContact CG-CG 4.2Å
83P69.3Low70.6Confident81 Ų8192.4 Ų92.453%0.52649%0.485SS..PPolyproline II helixtrans-60.1139.4156.7-14.427.4000109.3E85 V86P83-E85 PolarHBondContact O-N 2.65Å; P83-V86 PolarHBondContact O-N 3.32Å
84D69.3Low69.3Low132 Ų13295.1 Ų95.171%0.70650%0.497SS*.THydrogen-bonded Turntrans-50-19.5176.6-84.5-24.7000113.9
85E67.2Low68.1Low150 Ų15094 Ų9470%0.70151%0.513SS*.THydrogen-bonded Turntrans-68.3-30.4177.1-66.2-176.1162.900113.9P83 L87 K88P83-E85 PolarHBondContact O-N 2.65Å; E85-L87 VanDerWaalsContact C-N 3.3Å; E85-L87 PolarHBondContact O-N 2.76Å; E85-K88 PolarHBondContact O-N 3.35Å; E85-K88 VanDerWaalsContact O-N 3.14Å
86V64.4Low67.8Low8 Ų895.5 Ų95.55%0.04853%0.532CS..G310 helixtrans-69.9-31.3-179.8-178.20000111.2L82 P83 K88 E89 K101L82-V86 HydrophobicContact CD1-CB 4.29Å; L82-V86 HydrophobicContact CD1-CG1 4.18Å; L82-V86 HydrophobicContact CD2-CB 3.8Å; L82-V86 HydrophobicContact CD2-CG1 3.75Å; L82-V86 HydrophobicContact CD2-CG2 3.88Å; L82-V86 HydrophobicContact CG-CB 4.45Å; P83-V86 PolarHBondContact O-N 3.32Å; V86-K88 PolarHBondContact O-N 2.89Å; V86-K88 VanDerWaalsContact O-N 3.15Å; V86-E89 PolarHBondContact O-N 2.81Å; V86-K101 HydrophobicContact CG1-CB 4.16Å; V86-K101 HydrophobicContact CG2-CD 3.89Å
87L61.1Low67.8Low86 Ų8692.5 Ų92.545%0.4552%0.515SS..G310 helixtrans-64.4-18.4174.3-71.4164.6000113.1E85E85-L87 VanDerWaalsContact C-N 3.3Å; E85-L87 PolarHBondContact O-N 2.76Å
88K62.9Low67.7Low176 Ų17690.7 Ų90.777%0.76551%0.509SS*.G310 helixtrans-102.12.2-179.8-64.8-177.6-177.1172.50113.6E85 V86 S90E85-K88 PolarHBondContact O-N 3.35Å; E85-K88 VanDerWaalsContact O-N 3.14Å; V86-K88 PolarHBondContact O-N 2.89Å; V86-K88 VanDerWaalsContact O-N 3.15Å; K88-S90 PolarHBondContact O-N 3.1Å
89E58Low67.9Low84 Ų8483.4 Ų83.439%0.39347%0.474SS..  trans-59.7107.5-179-96.4-176.6161.600111V86 K101V86-E89 PolarHBondContact O-N 2.81Å; E89-K101 WeakPolarHBondContact OE1-CD 3.4Å; E89-K101 WeakPolarHBondContact OE1-CE 3.31Å; E89-K101 IonicContact OE1-NZ 3.74Å; E89-K101 PolarHBondContact OE1-NZ 3.19Å
90S56.4Low67.8Low100 Ų10079.3 Ų79.370%0.69947%0.472SS*.  trans-75.1141.716355.90000108.9K88 S92K88-S90 PolarHBondContact O-N 3.1Å; S90-S92 PolarHBondContact O-N 3.25Å
91F55.4Low67.7Low85 Ų8584.2 Ų84.237%0.37349%0.493SS..  trans-43.9104.6174.4-57.4-95.1000111.4Q42 Y46 F99Q42-F91 HydrophobicContact CG-CD1 4.41Å; Q42-F91 HydrophobicContact CG-CE1 3.69Å; Q42-F91 HydrophobicContact CG-CZ 4.02Å; Y46-F91 HydrophobicContact CE2-CZ 4.41Å; F91-F99 AromaticContact CD1-CZ 3.8Å; F91-F99 HydrophobicContact CD1-CZ 3.8Å; F91-F99 HydrophobicContact CE1-CE1 4.32Å; F91-F99 HydrophobicContact CE1-CE2 4.46Å; F91-F99 AromaticContact CE1-CZ 3.53Å; F91-F99 HydrophobicContact CE1-CZ 3.53Å; F91-F99 HydrophobicContact CZ-CZ 4.44Å
92S57Low68Low60 Ų6081 Ų8142%0.4247%0.471SS..  trans-78.7126.6164.5175.90000107.9S90 D94S90-S92 PolarHBondContact O-N 3.25Å; S92-D94 PolarHBondContact O-N 3.49Å; S92-D94 PolarHBondContact OG-N 3.19Å; S92-D94 PolarHBondContact OG-OD2 3.35Å
93T54.6Low68.9Low139 Ų13979.3 Ų79.385%0.85346%0.463SS*.  trans-81.94.4174.948.60000113.1
94D57.8Low69.8Low125 Ų12577.1 Ų77.167%0.66846%0.455SS*.SBendtrans-64.4145.6176.7-65.5-33.3000110.2S92 G96S92-D94 PolarHBondContact O-N 3.49Å; S92-D94 PolarHBondContact OG-N 3.19Å; S92-D94 PolarHBondContact OG-OD2 3.35Å; D94-G96 PolarHBondContact O-N 3.39Å
95A55.5Low70.6Confident121 Ų12171.3 Ų71.3100%142%0.424SS*.SBendtrans-66.131.6-163.300000117.1
96G74.1Confident71.7Confident53 Ų5364.2 Ų64.255%0.54639%0.391SS..SBendtrans-120.9-169.7174.100000112D94 P98D94-G96 PolarHBondContact O-N 3.39Å; G96-P98 WeakPolarHBondContact O-CD 3.42Å
97C81.4Confident73Confident29 Ų2967.8 Ų67.820%0.19641%0.407CS..  trans-73.4115176.6-1650000110.9F99 A100 C140C97-F99 PolarHBondContact O-N 3.45Å; C97-A100 HydrophobicContact CB-CB 4.37Å; C97-A100 PolarHBondContact O-N 3.24Å; C97-C140 WeakPolarHBondContact CA-SG 3.3Å; C97-C140 HydrophobicContact CB-CB 4.06Å; C97-C140 WeakPolarHBondContact CB-SG 3.18Å; C97-C140 WeakPolarHBondContact SG-CA 3.28Å; C97-C140 WeakPolarHBondContact SG-CB 3.21Å; C97-C140 CovalentContact SG-SG 2.03Å; C97-C140 PolarHBondContact SG-SG 3.09Å
98P80.5Confident74.4Confident29 Ų2965.1 Ų65.119%0.18840%0.396CS..THydrogen-bonded Turntrans-65-10.8-177.720.1-26.3000113.4G96 F136G96-P98 WeakPolarHBondContact O-CD 3.42Å; P98-F136 HydrophobicContact CG-CD1 3.69Å; P98-F136 HydrophobicContact CG-CE1 3.96Å; P98-F136 HydrophobicContact CG-CG 3.99Å; P98-F136 HydrophobicContact CG-CZ 4.48Å
99F83Confident75.7Confident22 Ų2256.8 Ų56.810%0.09636%0.359CS..THydrogen-bonded Turntrans-120.923.2-176.7-56.8-75.5000113.2F8 F91 C97 K101 L102 A103 F129 F132 F136F8-F99 HydrophobicContact CD1-CD1 4.34Å; F8-F99 HydrophobicContact CD1-CE1 4.34Å; F91-F99 AromaticContact CD1-CZ 3.8Å; F91-F99 HydrophobicContact CD1-CZ 3.8Å; F91-F99 HydrophobicContact CE1-CE1 4.32Å; F91-F99 HydrophobicContact CE1-CE2 4.46Å; F91-F99 AromaticContact CE1-CZ 3.53Å; F91-F99 HydrophobicContact CE1-CZ 3.53Å; F91-F99 HydrophobicContact CZ-CZ 4.44Å; C97-F99 PolarHBondContact O-N 3.45Å; F99-K101 PolarHBondContact O-N 3.41Å; F99-L102 HydrophobicContact CB-CB 4.33Å; F99-L102 PolarHBondContact O-N 3.31Å; F99-A103 PolarHBondContact O-N 2.85Å; F99-F129 HydrophobicContact CB-CE2 4.18Å; F99-F129 HydrophobicContact CB-CZ 4.14Å; F99-F132 HydrophobicContact CD1-CE1 4.35Å; F99-F132 HydrophobicContact CD2-CD1 4.32Å; F99-F132 AromaticContact CD2-CE1 3.62Å; F99-F132 HydrophobicContact CD2-CE1 3.62Å; F99-F132 HydrophobicContact CE1-CE1 4.04Å; F99-F132 HydrophobicContact CE1-CZ 4.43Å; F99-F132 HydrophobicContact CE2-CD1 4.32Å; F99-F132 AromaticContact CE2-CE1 3.27Å; F99-F132 HydrophobicContact CE2-CE1 3.27Å; F99-F132 AromaticContact CE2-CZ 3.83Å; F99-F132 HydrophobicContact CE2-CZ 3.83Å; F99-F132 HydrophobicContact CG-CE1 4.16Å; F99-F132 AromaticContact CZ-CE1 3.5Å; F99-F132 HydrophobicContact CZ-CE1 3.5Å; F99-F132 AromaticContact CZ-CZ 3.74Å; F99-F132 HydrophobicContact CZ-CZ 3.74Å; F99-F136 HydrophobicContact CD2-CD2 4.37Å; F99-F136 HydrophobicContact CD2-CE2 4.24Å; F99-F136 HydrophobicContact CE2-CD2 4.2Å; F99-F136 HydrophobicContact CE2-CE1 4.48Å; F99-F136 AromaticContact CE2-CE2 3.67Å; F99-F136 HydrophobicContact CE2-CE2 3.67Å; F99-F136 AromaticContact CE2-CZ 3.83Å; F99-F136 HydrophobicContact CE2-CZ 3.83Å
100A83.2Confident77.4Confident62 Ų6253.7 Ų53.751%0.51235%0.345SS..Hα-helixtrans-55.1-35.7179.900000112.8C97 G104C97-A100 HydrophobicContact CB-CB 4.37Å; C97-A100 PolarHBondContact O-N 3.24Å; A100-G104 PolarHBondContact O-N 3.14Å
101K83.3Confident79.1Confident109 Ų10952.3 Ų52.347%0.47433%0.334SS..Hα-helixtrans-69.2-41.2176.1-65.4-166.7-168.8155.10112.7V86 E89 F99 G104 L105V86-K101 HydrophobicContact CG1-CB 4.16Å; V86-K101 HydrophobicContact CG2-CD 3.89Å; E89-K101 WeakPolarHBondContact OE1-CD 3.4Å; E89-K101 WeakPolarHBondContact OE1-CE 3.31Å; E89-K101 IonicContact OE1-NZ 3.74Å; E89-K101 PolarHBondContact OE1-NZ 3.19Å; F99-K101 PolarHBondContact O-N 3.41Å; K101-G104 PolarHBondContact O-N 3.15Å; K101-L105 PolarHBondContact O-N 3.45Å
102L85.6Confident80.8Confident2 Ų248.9 Ų48.91%0.0132%0.321CS..Hα-helixtrans-67.5-40.5175.5177.557.4000111.2F8 F13 F99 L105 L106 F129F8-L102 HydrophobicContact CD1-CD2 3.49Å; F8-L102 VanDerWaalsContact CD1-CD2 3.49Å; F8-L102 HydrophobicContact CE1-CD2 3.42Å; F8-L102 VanDerWaalsContact CE1-CD2 3.42Å; F13-L102 HydrophobicContact CE2-CD1 4.34Å; F99-L102 HydrophobicContact CB-CB 4.33Å; F99-L102 PolarHBondContact O-N 3.31Å; L102-L105 HydrophobicContact CD1-CD2 4.17Å; L102-L105 WeakPolarHBondContact O-CB 3.41Å; L102-L105 PolarHBondContact O-N 3.24Å; L102-L106 HydrophobicContact CD1-CD1 4.13Å; L102-L106 HydrophobicContact CD1-CD2 4.45Å; L102-L106 HydrophobicContact CD1-CG 3.97Å; L102-L106 HydrophobicContact CG-CD1 4.12Å; L102-L106 HydrophobicContact CG-CG 4.39Å; L102-L106 WeakPolarHBondContact O-CB 3.41Å; L102-L106 VanDerWaalsContact O-CG 3.3Å; L102-L106 WeakPolarHBondContact O-CG 3.2Å; L102-L106 PolarHBondContact O-N 3.49Å; L102-F129 HydrophobicContact CB-CE2 4.32Å; L102-F129 HydrophobicContact CD2-CD2 4.28Å; L102-F129 HydrophobicContact CD2-CE2 3.93Å; L102-F129 HydrophobicContact CG-CD2 4.28Å; L102-F129 HydrophobicContact CG-CE2 3.84Å
103A87.9Confident82.5Confident12 Ų1246 Ų4610%0.09930%0.301CS..Hα-helixtrans-56.5-51.3172.200000110.8F99 L105 L106 E107 F129 M142F99-A103 PolarHBondContact O-N 2.85Å; A103-L105 VanDerWaalsContact C-N 3.31Å; A103-L105 PolarHBondContact O-N 3.01Å; A103-L106 PolarHBondContact O-N 2.84Å; A103-L106 VanDerWaalsContact O-N 3.16Å; A103-E107 WeakPolarHBondContact O-CB 3.33Å; A103-E107 WeakPolarHBondContact O-CG 3.4Å; A103-E107 PolarHBondContact O-N 3.29Å; A103-F129 HydrophobicContact CB-CE1 3.9Å; A103-F129 HydrophobicContact CB-CZ 3.69Å; A103-M142 HydrophobicContact CB-CG 3.82Å; A103-M142 HydrophobicContact CB-SD 4.48Å
104G87.5Confident84.3Confident35 Ų3542.2 Ų42.236%0.36127%0.273SS..Hα-helixtrans-61.8-35.4178.200000113.8A100 K101 C108A100-G104 PolarHBondContact O-N 3.14Å; K101-G104 PolarHBondContact O-N 3.15Å; G104-C108 WeakPolarHBondContact O-CB 3.33Å; G104-C108 PolarHBondContact O-N 2.99Å; G104-C108 VanDerWaalsContact O-N 3.09Å
105L85.9Confident85.9Confident10 Ų1040.4 Ų40.45%0.05227%0.27CS..Hα-helixtrans-63-52.6171.417469.4000111.2F13 C80 L82 K101 L102 A103 E107 C108 V109F13-L105 HydrophobicContact CE2-CD2 4.43Å; F13-L105 HydrophobicContact CZ-CD2 3.67Å; C80-L105 HydrophobicContact CB-CD1 4.41Å; C80-L105 WeakPolarHBondContact O-CD1 3.25Å; L82-L105 HydrophobicContact CD1-CD2 3.43Å; L82-L105 VanDerWaalsContact CD1-CD2 3.43Å; L82-L105 HydrophobicContact CD2-CB 4.08Å; L82-L105 HydrophobicContact CD2-CD1 3.92Å; L82-L105 HydrophobicContact CD2-CD2 3.81Å; L82-L105 HydrophobicContact CD2-CG 4.14Å; L82-L105 HydrophobicContact CG-CD1 3.83Å; L82-L105 HydrophobicContact CG-CD2 3.56Å; L82-L105 HydrophobicContact CG-CG 4.2Å; K101-L105 PolarHBondContact O-N 3.45Å; L102-L105 HydrophobicContact CD1-CD2 4.17Å; L102-L105 WeakPolarHBondContact O-CB 3.41Å; L102-L105 PolarHBondContact O-N 3.24Å; A103-L105 VanDerWaalsContact C-N 3.31Å; A103-L105 PolarHBondContact O-N 3.01Å; L105-E107 VanDerWaalsContact C-N 3.28Å; L105-E107 PolarHBondContact O-N 3.36Å; L105-C108 WeakPolarHBondContact O-CA 3.21Å; L105-C108 VanDerWaalsContact O-CB 3.25Å; L105-C108 WeakPolarHBondContact O-CB 3.38Å; L105-C108 PolarHBondContact O-N 2.88Å; L105-V109 HydrophobicContact CD1-CG2 3.92Å; L105-V109 HydrophobicContact CG-CG2 4.3Å; L105-V109 WeakPolarHBondContact O-CG2 3.27Å; L105-V109 PolarHBondContact O-N 3.24Å
106L90.8Very high87.6Confident1 Ų138.5 Ų38.51%0.00524%0.243CC..Hα-helixtrans-62.6-40.4-177.3-68.2175.6000110F12 L72 L102 A103 C108 V109 L110 V125 F129 M142F12-L106 HydrophobicContact CD1-CD1 4.33Å; F12-L106 HydrophobicContact CD1-CD2 4.14Å; F12-L106 HydrophobicContact CE1-CD1 3.79Å; F12-L106 HydrophobicContact CE1-CD2 4.02Å; F12-L106 HydrophobicContact CZ-CD1 4.22Å; L72-L106 HydrophobicContact CD2-CD2 3.49Å; L72-L106 VanDerWaalsContact CD2-CD2 3.49Å; L102-L106 HydrophobicContact CD1-CD1 4.13Å; L102-L106 HydrophobicContact CD1-CD2 4.45Å; L102-L106 HydrophobicContact CD1-CG 3.97Å; L102-L106 HydrophobicContact CG-CD1 4.12Å; L102-L106 HydrophobicContact CG-CG 4.39Å; L102-L106 WeakPolarHBondContact O-CB 3.41Å; L102-L106 VanDerWaalsContact O-CG 3.3Å; L102-L106 WeakPolarHBondContact O-CG 3.2Å; L102-L106 PolarHBondContact O-N 3.49Å; A103-L106 PolarHBondContact O-N 2.84Å; A103-L106 VanDerWaalsContact O-N 3.16Å; L106-C108 PolarHBondContact O-N 3.45Å; L106-V109 PolarHBondContact O-N 2.98Å; L106-V109 VanDerWaalsContact O-N 3.13Å; L106-L110 WeakPolarHBondContact O-CB 3.39Å; L106-L110 WeakPolarHBondContact O-CG 2.98Å; L106-L110 PolarHBondContact O-N 3.04Å; L106-V125 HydrophobicContact CD2-CG1 3.92Å; L106-F129 HydrophobicContact CD1-CB 3.82Å; L106-F129 HydrophobicContact CD1-CD2 3.38Å; L106-F129 HydrophobicContact CD1-CE2 4.1Å; L106-F129 HydrophobicContact CD1-CG 3.66Å; L106-M142 HydrophobicContact CB-CE 3.3Å; L106-M142 HydrophobicContact CB-SD 3.5Å; L106-M142 WeakPolarHBondContact CB-SD 3.26Å; L106-M142 HydrophobicContact CD1-CE 4.49Å; L106-M142 HydrophobicContact CD1-SD 3.71Å; L106-M142 HydrophobicContact CG-SD 4.25Å
107E90.8Very high88.5Confident83 Ų8337.3 Ų37.339%0.38823%0.226SC..Hα-helixtrans-58.1-36.6173-74.2176.5-178.100112.2A103 L105 P111 M142A103-E107 WeakPolarHBondContact O-CB 3.33Å; A103-E107 WeakPolarHBondContact O-CG 3.4Å; A103-E107 PolarHBondContact O-N 3.29Å; L105-E107 VanDerWaalsContact C-N 3.28Å; L105-E107 PolarHBondContact O-N 3.36Å; E107-P111 WeakPolarHBondContact O-CD 3.46Å; E107-M142 HydrophobicContact CB-CE 4.5Å; E107-M142 HydrophobicContact CG-CE 3.79Å; E107-M142 HydrophobicContact CG-CG 4.22Å
108C90.4Very high88.9Confident31 Ų3137.7 Ų37.721%0.20923%0.229CC..Hα-helixtrans-69.3-41.6175.5-164.20000112.4C80 G104 L105 L106C80-C108 WeakPolarHBondContact CA-SG 3.13Å; C80-C108 HydrophobicContact CB-CB 3.8Å; C80-C108 WeakPolarHBondContact CB-SG 3.38Å; C80-C108 WeakPolarHBondContact SG-CB 3.4Å; C80-C108 PolarHBondContact SG-O 3.36Å; C80-C108 CovalentContact SG-SG 2.03Å; C80-C108 PolarHBondContact SG-SG 3.3Å; G104-C108 WeakPolarHBondContact O-CB 3.33Å; G104-C108 PolarHBondContact O-N 2.99Å; G104-C108 VanDerWaalsContact O-N 3.09Å; L105-C108 WeakPolarHBondContact O-CA 3.21Å; L105-C108 VanDerWaalsContact O-CB 3.25Å; L105-C108 WeakPolarHBondContact O-CB 3.38Å; L105-C108 PolarHBondContact O-N 2.88Å; L106-C108 PolarHBondContact O-N 3.45Å
109V91.7Very high89.3Confident0 Ų038.3 Ų38.30%023%0.231CC..Hα-helixtrans-87.5-25.2-172.9-178.10000113.1Q71 L72 P75 C80 L105 L106 S112 I113Q71-V109 HydrophobicContact CB-CG1 4.15Å; Q71-V109 WeakPolarHBondContact O-CG1 3.48Å; L72-V109 HydrophobicContact CD2-CB 4.46Å; L72-V109 HydrophobicContact CD2-CG1 4.12Å; P75-V109 HydrophobicContact CB-CG2 4.06Å; P75-V109 HydrophobicContact CG-CG2 4.04Å; C80-V109 HydrophobicContact CB-CG2 3.68Å; L105-V109 HydrophobicContact CD1-CG2 3.92Å; L105-V109 HydrophobicContact CG-CG2 4.3Å; L105-V109 WeakPolarHBondContact O-CG2 3.27Å; L105-V109 PolarHBondContact O-N 3.24Å; L106-V109 PolarHBondContact O-N 2.98Å; L106-V109 VanDerWaalsContact O-N 3.13Å; V109-S112 WeakPolarHBondContact O-CA 3.47Å; V109-S112 VanDerWaalsContact O-CB 3.27Å; V109-S112 WeakPolarHBondContact O-CB 3.45Å; V109-S112 PolarHBondContact O-N 2.96Å; V109-I113 HydrophobicContact CG1-CD1 3.8Å; V109-I113 HydrophobicContact CG1-CG1 3.91Å; V109-I113 PolarHBondContact O-N 3.38Å
110L93.1Very high89.4Confident19 Ų1943.5 Ų43.510%0.09925%0.25CC..Hα-helixtrans-51.3-44.6-177.7-85.5175.9000113.7L106 S112 I113 E114 S122 V125 M142L106-L110 WeakPolarHBondContact O-CB 3.39Å; L106-L110 WeakPolarHBondContact O-CG 2.98Å; L106-L110 PolarHBondContact O-N 3.04Å; L110-S112 VanDerWaalsContact C-N 3.26Å; L110-S112 PolarHBondContact O-N 2.79Å; L110-I113 PolarHBondContact O-N 3.09Å; L110-E114 WeakPolarHBondContact O-CB 3.39Å; L110-E114 PolarHBondContact O-N 3.11Å; L110-S122 WeakPolarHBondContact CD2-O 3.4Å; L110-V125 HydrophobicContact CD2-CB 4.03Å; L110-V125 HydrophobicContact CD2-CG1 3.82Å; L110-M142 HydrophobicContact CD1-CE 3.35Å; L110-M142 HydrophobicContact CG-CE 4.17Å
111P91.9Very high89.7Confident72 Ų7240.5 Ų40.547%0.46823%0.225SC..Hα-helixtrans-60.4-34.6175-25.135.3000113.6E107 E114 S115E107-P111 WeakPolarHBondContact O-CD 3.46Å; P111-E114 PolarHBondContact O-N 3.49Å; P111-S115 WeakPolarHBondContact O-CB 3.41Å; P111-S115 PolarHBondContact O-N 3.42Å; P111-S115 PolarHBondContact O-OG 3.39Å
112S91.1Very high90.1Very high12 Ų1235.6 Ų35.68%0.08420%0.204CC..Hα-helixtrans-72.6-37.9177.2-165.60000111.3Q71 T76 V109 L110 E114 S115 N116Q71-S112 PolarHBondContact OE1-OG 2.81Å; T76-S112 PolarHBondContact OG1-OG 2.88Å; V109-S112 WeakPolarHBondContact O-CA 3.47Å; V109-S112 VanDerWaalsContact O-CB 3.27Å; V109-S112 WeakPolarHBondContact O-CB 3.45Å; V109-S112 PolarHBondContact O-N 2.96Å; L110-S112 VanDerWaalsContact C-N 3.26Å; L110-S112 PolarHBondContact O-N 2.79Å; S112-E114 VanDerWaalsContact C-N 3.34Å; S112-S115 PolarHBondContact O-N 3.22Å; S112-S115 PolarHBondContact O-OG 2.79Å; S112-N116 WeakPolarHBondContact O-CB 3.33Å; S112-N116 VanDerWaalsContact O-CG 3.23Å; S112-N116 PolarHBondContact O-N 3.26Å; S112-N116 PolarHBondContact O-ND2 2.91Å; S112-N116 PolarHBondContact OG-ND2 2.96Å
113I91.6Very high90.2Very high0 Ų039 Ų390%022%0.22CC..Hα-helixtrans-64.9-41.7172.6-68.4168.1000110.3I68 Q71 L72 V109 L110 C117 S118 A121 V125I68-I113 HydrophobicContact CG1-CG2 4.15Å; Q71-I113 HydrophobicContact CB-CD1 4.43Å; Q71-I113 HydrophobicContact CB-CG1 3.62Å; Q71-I113 HydrophobicContact CG-CG1 4.08Å; L72-I113 HydrophobicContact CD2-CD1 4.21Å; L72-I113 HydrophobicContact CG-CD1 4.41Å; V109-I113 HydrophobicContact CG1-CD1 3.8Å; V109-I113 HydrophobicContact CG1-CG1 3.91Å; V109-I113 PolarHBondContact O-N 3.38Å; L110-I113 PolarHBondContact O-N 3.09Å; I113-C117 HydrophobicContact CG2-CB 4.16Å; I113-C117 VanDerWaalsContact O-CA 3.3Å; I113-C117 WeakPolarHBondContact O-CA 3.42Å; I113-C117 WeakPolarHBondContact O-CB 3.39Å; I113-C117 PolarHBondContact O-N 2.84Å; I113-S118 PolarHBondContact O-N 2.93Å; I113-A121 HydrophobicContact CG2-CB 3.68Å; I113-V125 HydrophobicContact CD1-CG1 4.35Å; I113-V125 HydrophobicContact CD1-CG2 4.17Å
114E92.9Very high90.2Very high60 Ų6039.7 Ų39.728%0.2822%0.221SC..Hα-helixtrans-62-46177.2-177.6173.9154.500111.7L110 P111 S112 S118 L119L110-E114 WeakPolarHBondContact O-CB 3.39Å; L110-E114 PolarHBondContact O-N 3.11Å; P111-E114 PolarHBondContact O-N 3.49Å; S112-E114 VanDerWaalsContact C-N 3.34Å; E114-S118 WeakPolarHBondContact CA-O 3.47Å; E114-S118 CarbonylContact O-C 2.91Å; E114-S118 WeakPolarHBondContact O-CA 3.35Å; E114-L119 VanDerWaalsContact CD-CD1 3.5Å; E114-L119 HydrophobicContact CG-CB 4.47Å; E114-L119 HydrophobicContact CG-CD1 3.96Å
115S91.3Very high90.4Very high86 Ų8638 Ų3860%0.60120%0.204SC*.Hα-helixtrans-73.3-37-178.867.70000113.6P111 S112P111-S115 WeakPolarHBondContact O-CB 3.41Å; P111-S115 PolarHBondContact O-N 3.42Å; P111-S115 PolarHBondContact O-OG 3.39Å; S112-S115 PolarHBondContact O-N 3.22Å; S112-S115 PolarHBondContact O-OG 2.79Å
116N92.8Very high90.7Very high81 Ų8138.6 Ų38.643%0.43321%0.207SC..Hα-helixtrans-99.6-26.6-170.7-59.4-17.8000113.2Q71 T76 S112Q71-N116 HydrophobicContact CG-CB 4.5Å; Q71-N116 PolarHBondContact NE2-ND2 3.45Å; Q71-N116 PolarHBondContact OE1-ND2 3.34Å; T76-N116 PolarHBondContact OG1-ND2 3.27Å; S112-N116 WeakPolarHBondContact O-CB 3.33Å; S112-N116 VanDerWaalsContact O-CG 3.23Å; S112-N116 PolarHBondContact O-N 3.26Å; S112-N116 PolarHBondContact O-ND2 2.91Å; S112-N116 PolarHBondContact OG-ND2 2.96Å
117C91.1Very high90.6Very high29 Ų2944.5 Ų44.520%0.19623%0.232CC..THydrogen-bonded Turntrans-108.5-68.9-179.7-49.20000111C67 I113 A121C67-C117 HydrophobicContact CB-CB 3.75Å; C67-C117 WeakPolarHBondContact CB-SG 3.42Å; C67-C117 WeakPolarHBondContact SG-CA 3.18Å; C67-C117 WeakPolarHBondContact SG-CB 3.26Å; C67-C117 CovalentContact SG-SG 2.03Å; C67-C117 PolarHBondContact SG-SG 3.13Å; I113-C117 HydrophobicContact CG2-CB 4.16Å; I113-C117 VanDerWaalsContact O-CA 3.3Å; I113-C117 WeakPolarHBondContact O-CA 3.42Å; I113-C117 WeakPolarHBondContact O-CB 3.39Å; I113-C117 PolarHBondContact O-N 2.84Å; C117-A121 HydrophobicContact CB-CB 3.8Å
118S89.6Confident90.6Very high36 Ų3640.6 Ų40.625%0.25221%0.214SC..  trans173.5163.7172.656.80000110.7L64 I113 E114 R120 A121 S122L64-S118 WeakPolarHBondContact CD2-OG 3.4Å; I113-S118 PolarHBondContact O-N 2.93Å; E114-S118 WeakPolarHBondContact CA-O 3.47Å; E114-S118 CarbonylContact O-C 2.91Å; E114-S118 WeakPolarHBondContact O-CA 3.35Å; S118-R120 VanDerWaalsContact C-N 3.28Å; S118-R120 PolarHBondContact O-N 2.86Å; S118-A121 WeakPolarHBondContact O-CB 3.25Å; S118-A121 PolarHBondContact O-N 3.39Å; S118-A121 WeakPolarHBondContact OG-CB 3.38Å; S118-A121 PolarHBondContact OG-N 3.22Å; S118-S122 PolarHBondContact O-N 3.31Å
119L89Confident90.7Very high43 Ų4339.1 Ų39.123%0.22520%0.204CC..Hα-helixtrans-54.7-43.1166.9-172.769.8000112.6E114 A121 S122 E123 V185E114-L119 VanDerWaalsContact CD-CD1 3.5Å; E114-L119 HydrophobicContact CG-CB 4.47Å; E114-L119 HydrophobicContact CG-CD1 3.96Å; L119-A121 VanDerWaalsContact C-N 3.28Å; L119-A121 PolarHBondContact O-N 3.03Å; L119-S122 PolarHBondContact O-N 3.47Å; L119-S122 PolarHBondContact O-OG 2.89Å; L119-E123 WeakPolarHBondContact O-CG 3.23Å; L119-E123 PolarHBondContact O-N 3.38Å; L119-V185 HydrophobicContact CD2-CB 3.78Å; L119-V185 HydrophobicContact CD2-CG1 4.45Å; L119-V185 HydrophobicContact CD2-CG2 4.07Å
120R86.2Confident90.8Very high130 Ų13041 Ų4149%0.49121%0.214SC..Hα-helixtrans-65.6-33.3-179.4-164.8161.5176.7-168.30111.6E57 E60 S118 H124E57-R120 IonicContact OE2-NH2 3.7Å; E60-R120 VanDerWaalsContact CD-NE 3.29Å; E60-R120 WeakPolarHBondContact OE1-CD 3.25Å; E60-R120 IonicContact OE1-CZ 3.67Å; E60-R120 IonicContact OE1-NE 3.39Å; E60-R120 PolarHBondContact OE1-NE 3.45Å; E60-R120 IonicContact OE1-NH1 2.93Å; E60-R120 PolarHBondContact OE1-NH1 3.49Å; E60-R120 IonicContact OE1-NH2 2.9Å; E60-R120 IonicContact OE2-CZ 2.88Å; E60-R120 IonicContact OE2-NE 2.76Å; E60-R120 PolarHBondContact OE2-NE 2.98Å; E60-R120 IonicContact OE2-NH1 3.82Å; E60-R120 PolarHBondContact OE2-NH1 2.9Å; E60-R120 IonicContact OE2-NH2 3.78Å; E60-R120 PolarHBondContact OE2-NH2 3.39Å; S118-R120 VanDerWaalsContact C-N 3.28Å; S118-R120 PolarHBondContact O-N 2.86Å; R120-H124 WeakPolarHBondContact O-CB 3.19Å; R120-H124 PolarHBondContact O-N 3.47Å
121A88.9Confident90.7Very high0 Ų041.6 Ų41.60%022%0.22CC..Hα-helixtrans-65.3-44.1172.800000112.6L64 I68 I113 C117 S118 L119 H124 V125L64-A121 HydrophobicContact CB-CB 4.25Å; L64-A121 HydrophobicContact CD1-CB 4.1Å; L64-A121 HydrophobicContact CD2-CB 4.08Å; L64-A121 HydrophobicContact CG-CB 4.36Å; I68-A121 HydrophobicContact CD1-CB 3.92Å; I68-A121 HydrophobicContact CG1-CB 3.93Å; I113-A121 HydrophobicContact CG2-CB 3.68Å; C117-A121 HydrophobicContact CB-CB 3.8Å; S118-A121 WeakPolarHBondContact O-CB 3.25Å; S118-A121 PolarHBondContact O-N 3.39Å; S118-A121 WeakPolarHBondContact OG-CB 3.38Å; S118-A121 PolarHBondContact OG-N 3.22Å; L119-A121 VanDerWaalsContact C-N 3.28Å; L119-A121 PolarHBondContact O-N 3.03Å; A121-H124 PolarHBondContact O-N 3.35Å; A121-V125 VanDerWaalsContact O-CG2 3.28Å; A121-V125 WeakPolarHBondContact O-CG2 3.28Å; A121-V125 PolarHBondContact O-N 3.45Å
122S91.1Very high90.6Very high5 Ų538.2 Ų38.24%0.03520%0.198CC..Hα-helixtrans-66.8-41.1179.469.80000111.3L110 S118 L119 H124 V125 Q126L110-S122 WeakPolarHBondContact CD2-O 3.4Å; S118-S122 PolarHBondContact O-N 3.31Å; L119-S122 PolarHBondContact O-N 3.47Å; L119-S122 PolarHBondContact O-OG 2.89Å; S122-H124 VanDerWaalsContact C-N 3.31Å; S122-H124 PolarHBondContact O-N 2.81Å; S122-V125 PolarHBondContact O-N 2.78Å; S122-Q126 PolarHBondContact O-N 3.2Å
123E88.8Confident90.6Very high74 Ų7437.6 Ų37.635%0.34619%0.194SC..Hα-helixtrans-60.9-40.6173.5-72.8178167.200112.4L119 Q126 K127 R144L119-E123 WeakPolarHBondContact O-CG 3.23Å; L119-E123 PolarHBondContact O-N 3.38Å; E123-Q126 PolarHBondContact O-N 3.28Å; E123-K127 WeakPolarHBondContact O-CB 3.34Å; E123-K127 PolarHBondContact O-N 2.73Å; E123-R144 IonicContact OE1-CZ 3.99Å; E123-R144 VanDerWaalsContact OE1-CZ 3.32Å; E123-R144 IonicContact OE1-NH1 2.71Å; E123-R144 PolarHBondContact OE1-NH1 3.4Å; E123-R144 IonicContact OE1-NH2 3.77Å; E123-R144 PolarHBondContact OE1-NH2 3.15Å
124H87.7Confident90.5Very high26 Ų2639.3 Ų39.312%0.1221%0.211CC..Hα-helixtrans-66.4-44.2179-17292000112.1S56 Y61 R120 A121 S122 Q126 K127 M128S56-H124 VanDerWaalsContact CB-CE1 3.46Å; S56-H124 WeakPolarHBondContact CB-CE1 3.06Å; S56-H124 PolarHBondContact OG-CE1 3.21Å; Y61-H124 AromaticContact CD2-CD2 3.56Å; Y61-H124 AromaticContact CD2-CE1 3.71Å; Y61-H124 AromaticContact CD2-NE2 3.1Å; Y61-H124 WeakPolarHBondContact CD2-NE2 3.19Å; Y61-H124 AromaticContact CE2-CD2 3.38Å; Y61-H124 WeakPolarHBondContact CE2-CD2 3.3Å; Y61-H124 AromaticContact CE2-NE2 3.06Å; Y61-H124 WeakPolarHBondContact CE2-NE2 3.16Å; R120-H124 WeakPolarHBondContact O-CB 3.19Å; R120-H124 PolarHBondContact O-N 3.47Å; A121-H124 PolarHBondContact O-N 3.35Å; S122-H124 VanDerWaalsContact C-N 3.31Å; S122-H124 PolarHBondContact O-N 2.81Å; H124-Q126 VanDerWaalsContact C-N 3.33Å; H124-Q126 PolarHBondContact O-N 3.23Å; H124-K127 PolarHBondContact O-N 3.22Å; H124-M128 PolarHBondContact NE2-SD 3.12Å; H124-M128 VanDerWaalsContact NE2-SD 3.43Å; H124-M128 WeakPolarHBondContact O-CG 3.47Å; H124-M128 PolarHBondContact O-N 2.95Å
125V90.7Very high90.3Very high0 Ų040.6 Ų40.60%021%0.213CC..Hα-helixtrans-57.5-46.7173.5167.80000110.9F12 I68 L106 L110 I113 A121 S122 M128 F129F12-V125 HydrophobicContact CE1-CG1 3.96Å; F12-V125 WeakPolarHBondContact CZ-O 2.97Å; I68-V125 HydrophobicContact CB-CG2 4.46Å; I68-V125 HydrophobicContact CD1-CG2 3.89Å; I68-V125 HydrophobicContact CG1-CG2 4.02Å; I68-V125 HydrophobicContact CG2-CG2 3.56Å; L106-V125 HydrophobicContact CD2-CG1 3.92Å; L110-V125 HydrophobicContact CD2-CB 4.03Å; L110-V125 HydrophobicContact CD2-CG1 3.82Å; I113-V125 HydrophobicContact CD1-CG1 4.35Å; I113-V125 HydrophobicContact CD1-CG2 4.17Å; A121-V125 VanDerWaalsContact O-CG2 3.28Å; A121-V125 WeakPolarHBondContact O-CG2 3.28Å; A121-V125 PolarHBondContact O-N 3.45Å; S122-V125 PolarHBondContact O-N 2.78Å; V125-M128 HydrophobicContact CG2-CE 4.31Å; V125-M128 PolarHBondContact O-N 3.38Å; V125-F129 PolarHBondContact O-N 2.87Å
126Q92.2Very high90.1Very high23 Ų2339.2 Ų39.211%0.10720%0.196CC..Hα-helixtrans-62.8-45176.7-174175.426.400111.8S122 E123 H124 M128 F129 N130 M142S122-Q126 PolarHBondContact O-N 3.2Å; E123-Q126 PolarHBondContact O-N 3.28Å; H124-Q126 VanDerWaalsContact C-N 3.33Å; H124-Q126 PolarHBondContact O-N 3.23Å; Q126-M128 PolarHBondContact O-N 3.11Å; Q126-F129 PolarHBondContact O-N 3.08Å; Q126-N130 VanDerWaalsContact O-CB 3.27Å; Q126-N130 WeakPolarHBondContact O-CB 3.48Å; Q126-N130 PolarHBondContact O-N 2.62Å; Q126-M142 PolarHBondContact NE2-O 3.38Å
127K90.3Very high89.7Confident125 Ų12536.6 Ų36.654%0.54319%0.189SC..Hα-helixtrans-61-44.6179-171.5-175.3178.7-178.40111.8V52 E123 H124 S131V52-K127 HydrophobicContact CG1-CD 4.07Å; V52-K127 HydrophobicContact CG1-CG 3.97Å; E123-K127 WeakPolarHBondContact O-CB 3.34Å; E123-K127 PolarHBondContact O-N 2.73Å; H124-K127 PolarHBondContact O-N 3.22Å; K127-S131 WeakPolarHBondContact O-CB 3.04Å; K127-S131 PolarHBondContact O-N 2.78Å
128M89.7Confident89.3Confident0 Ų042.3 Ų42.30%021%0.213CC..Hα-helixtrans-60.9-46.7176-75.6-171.7-59.400111.5F12 F49 V52 F53 Y61 H124 V125 Q126 S131 F132F12-M128 HydrophobicContact CE1-CE 4.32Å; F12-M128 HydrophobicContact CE2-CB 3.9Å; F12-M128 HydrophobicContact CZ-CB 3.68Å; F12-M128 HydrophobicContact CZ-CE 4.26Å; F49-M128 HydrophobicContact CD2-CB 4.3Å; F49-M128 HydrophobicContact CE2-CB 4.07Å; F49-M128 HydrophobicContact CE2-CG 4.44Å; F49-M128 HydrophobicContact CE2-SD 4.28Å; V52-M128 HydrophobicContact CG1-CG 4.17Å; F53-M128 HydrophobicContact CD2-SD 3.77Å; Y61-M128 HydrophobicContact CE2-CE 3.98Å; Y61-M128 HydrophobicContact CE2-SD 3.91Å; Y61-M128 PolarHBondContact OH-SD 3.01Å; H124-M128 PolarHBondContact NE2-SD 3.12Å; H124-M128 VanDerWaalsContact NE2-SD 3.43Å; H124-M128 WeakPolarHBondContact O-CG 3.47Å; H124-M128 PolarHBondContact O-N 2.95Å; V125-M128 HydrophobicContact CG2-CE 4.31Å; V125-M128 PolarHBondContact O-N 3.38Å; Q126-M128 PolarHBondContact O-N 3.11Å; M128-S131 PolarHBondContact O-N 3.05Å; M128-F132 PolarHBondContact O-N 2.92Å
129F92.7Very high89Confident0 Ų045.9 Ų45.90%024%0.238CC..Hα-helixtrans-64.9-48.8-179.3-178.4-96.2000110.4F8 F12 F99 L102 A103 L106 V125 Q126 S131 F132 A133 C140 M142F8-F129 HydrophobicContact CE1-CD2 4.22Å; F8-F129 HydrophobicContact CE1-CE2 4.38Å; F12-F129 HydrophobicContact CE1-CB 4.46Å; F12-F129 HydrophobicContact CE2-CB 4.22Å; F12-F129 HydrophobicContact CZ-CB 3.65Å; F99-F129 HydrophobicContact CB-CE2 4.18Å; F99-F129 HydrophobicContact CB-CZ 4.14Å; L102-F129 HydrophobicContact CB-CE2 4.32Å; L102-F129 HydrophobicContact CD2-CD2 4.28Å; L102-F129 HydrophobicContact CD2-CE2 3.93Å; L102-F129 HydrophobicContact CG-CD2 4.28Å; L102-F129 HydrophobicContact CG-CE2 3.84Å; A103-F129 HydrophobicContact CB-CE1 3.9Å; A103-F129 HydrophobicContact CB-CZ 3.69Å; L106-F129 HydrophobicContact CD1-CB 3.82Å; L106-F129 HydrophobicContact CD1-CD2 3.38Å; L106-F129 HydrophobicContact CD1-CE2 4.1Å; L106-F129 HydrophobicContact CD1-CG 3.66Å; V125-F129 PolarHBondContact O-N 2.87Å; Q126-F129 PolarHBondContact O-N 3.08Å; F129-S131 VanDerWaalsContact C-N 3.3Å; F129-S131 PolarHBondContact O-N 2.69Å; F129-F132 WeakPolarHBondContact O-CB 3.35Å; F129-F132 PolarHBondContact O-N 3.21Å; F129-F132 VanDerWaalsContact O-N 3.09Å; F129-A133 HydrophobicContact CD1-CB 3.86Å; F129-A133 HydrophobicContact CE1-CB 3.49Å; F129-A133 VanDerWaalsContact CE1-CB 3.49Å; F129-A133 HydrophobicContact CZ-CB 3.86Å; F129-A133 WeakPolarHBondContact O-CB 3Å; F129-A133 PolarHBondContact O-N 3.17Å; F129-C140 WeakPolarHBondContact CE1-O 3.08Å; F129-M142 HydrophobicContact CB-SD 4.08Å; F129-M142 HydrophobicContact CD1-CB 4.18Å; F129-M142 HydrophobicContact CD1-CG 3.51Å; F129-M142 HydrophobicContact CD1-SD 3.25Å; F129-M142 WeakPolarHBondContact CD1-SD 3.06Å; F129-M142 HydrophobicContact CD2-SD 4.35Å; F129-M142 HydrophobicContact CE1-CB 4.43Å; F129-M142 HydrophobicContact CE1-CG 3.51Å; F129-M142 HydrophobicContact CE1-SD 3.7Å; F129-M142 HydrophobicContact CG-CG 4.45Å; F129-M142 HydrophobicContact CG-SD 3.62Å; F129-M142 HydrophobicContact CZ-CG 4.46Å; F129-M142 HydrophobicContact CZ-SD 4.41Å
130N93.9Very high89Confident40 Ų4044.1 Ų44.121%0.21423%0.229CC..Hα-helixtrans-65.1-31.7-178.4-76.3-4.8000112.7Q126 F132 G134 L141 M142Q126-N130 VanDerWaalsContact O-CB 3.27Å; Q126-N130 WeakPolarHBondContact O-CB 3.48Å; Q126-N130 PolarHBondContact O-N 2.62Å; N130-F132 VanDerWaalsContact C-N 3.31Å; N130-F132 PolarHBondContact O-N 3.49Å; N130-G134 WeakPolarHBondContact O-CA 3.34Å; N130-G134 PolarHBondContact O-N 3.36Å; N130-L141 HydrophobicContact CB-CD2 3.84Å; N130-L141 WeakPolarHBondContact O-CD2 3.04Å; N130-M142 PolarHBondContact ND2-O 3.36Å; N130-M142 VanDerWaalsContact ND2-O 3.16Å; N130-M142 PolarHBondContact OD1-N 3.33Å
131S90.2Very high89.2Confident32 Ų3241.2 Ų41.222%0.22422%0.223CC..Hα-helixtrans-63.8-37.5173.3-170.90000112.4S48 V52 K127 M128 F129S48-S131 VanDerWaalsContact CB-O 3.28Å; S48-S131 WeakPolarHBondContact CB-O 3.31Å; S48-S131 WeakPolarHBondContact CB-OG 3.43Å; S48-S131 PolarHBondContact O-OG 2.97Å; V52-S131 VanDerWaalsContact CG2-OG 3.26Å; V52-S131 WeakPolarHBondContact CG2-OG 3.42Å; K127-S131 WeakPolarHBondContact O-CB 3.04Å; K127-S131 PolarHBondContact O-N 2.78Å; M128-S131 PolarHBondContact O-N 3.05Å; F129-S131 VanDerWaalsContact C-N 3.3Å; F129-S131 PolarHBondContact O-N 2.69Å
132F91.4Very high89.1Confident0 Ų041.4 Ų41.40%022%0.224CC..Hα-helixtrans-75-56174-177.4-99.4000111.8F8 A45 Y46 F49 F99 M128 F129 N130 G134 R135 F136F8-F132 HydrophobicContact CB-CZ 4.36Å; F8-F132 HydrophobicContact CD1-CD1 4.12Å; F8-F132 AromaticContact CD1-CE1 3.79Å; F8-F132 HydrophobicContact CD1-CE1 3.79Å; F8-F132 HydrophobicContact CD1-CZ 4.19Å; F8-F132 HydrophobicContact CD2-CD1 4.14Å; F8-F132 AromaticContact CD2-CD2 3.69Å; F8-F132 HydrophobicContact CD2-CD2 3.69Å; F8-F132 AromaticContact CD2-CE1 3.95Å; F8-F132 HydrophobicContact CD2-CE1 3.95Å; F8-F132 AromaticContact CD2-CE2 3.55Å; F8-F132 HydrophobicContact CD2-CE2 3.55Å; F8-F132 HydrophobicContact CD2-CG 4Å; F8-F132 AromaticContact CD2-CZ 3.68Å; F8-F132 HydrophobicContact CD2-CZ 3.68Å; F8-F132 AromaticContact CE1-CD1 3.57Å; F8-F132 HydrophobicContact CE1-CD1 3.57Å; F8-F132 AromaticContact CE1-CE1 3.72Å; F8-F132 HydrophobicContact CE1-CE1 3.72Å; F8-F132 HydrophobicContact CE1-CG 4.09Å; F8-F132 HydrophobicContact CE1-CZ 4.43Å; F8-F132 HydrophobicContact CE2-CB 3.76Å; F8-F132 AromaticContact CE2-CD1 3.61Å; F8-F132 HydrophobicContact CE2-CD1 3.61Å; F8-F132 AromaticContact CE2-CD2 3.3Å; F8-F132 HydrophobicContact CE2-CD2 3.3Å; F8-F132 AromaticContact CE2-CE1 3.91Å; F8-F132 HydrophobicContact CE2-CE1 3.91Å; F8-F132 AromaticContact CE2-CE2 3.69Å; F8-F132 HydrophobicContact CE2-CE2 3.69Å; F8-F132 AromaticContact CE2-CG 3.27Å; F8-F132 HydrophobicContact CE2-CG 3.27Å; F8-F132 AromaticContact CE2-CZ 3.97Å; F8-F132 HydrophobicContact CE2-CZ 3.97Å; F8-F132 HydrophobicContact CG-CD1 4.38Å; F8-F132 AromaticContact CG-CE1 3.9Å; F8-F132 HydrophobicContact CG-CE1 3.9Å; F8-F132 HydrophobicContact CG-CE2 4.17Å; F8-F132 AromaticContact CG-CZ 3.81Å; F8-F132 HydrophobicContact CG-CZ 3.81Å; F8-F132 HydrophobicContact CZ-CB 3.61Å; F8-F132 AromaticContact CZ-CD1 3.29Å; F8-F132 HydrophobicContact CZ-CD1 3.29Å; F8-F132 AromaticContact CZ-CD2 3.88Å; F8-F132 HydrophobicContact CZ-CD2 3.88Å; F8-F132 AromaticContact CZ-CE1 3.8Å; F8-F132 HydrophobicContact CZ-CE1 3.8Å; F8-F132 HydrophobicContact CZ-CE2 4.38Å; F8-F132 AromaticContact CZ-CG 3.32Å; F8-F132 HydrophobicContact CZ-CG 3.32Å; F8-F132 HydrophobicContact CZ-CZ 4.34Å; A45-F132 VanDerWaalsContact C-CD2 3.46Å; A45-F132 HydrophobicContact CB-CD2 3.53Å; A45-F132 HydrophobicContact CB-CE2 3.54Å; A45-F132 HydrophobicContact CB-CG 4.1Å; A45-F132 HydrophobicContact CB-CZ 4.15Å; A45-F132 WeakPolarHBondContact O-CD2 3.43Å; Y46-F132 HydrophobicContact CD1-CE2 4.26Å; Y46-F132 AromaticContact CD2-CE2 3.96Å; Y46-F132 HydrophobicContact CD2-CE2 3.96Å; Y46-F132 HydrophobicContact CE1-CE2 4.31Å; Y46-F132 AromaticContact CE2-CE2 3.97Å; Y46-F132 HydrophobicContact CE2-CE2 3.97Å; Y46-F132 HydrophobicContact CE2-CZ 4.37Å; Y46-F132 HydrophobicContact CG-CE2 4.1Å; F49-F132 HydrophobicContact CB-CB 4.09Å; F49-F132 HydrophobicContact CB-CD2 4.03Å; F99-F132 HydrophobicContact CD1-CE1 4.35Å; F99-F132 HydrophobicContact CD2-CD1 4.32Å; F99-F132 AromaticContact CD2-CE1 3.62Å; F99-F132 HydrophobicContact CD2-CE1 3.62Å; F99-F132 HydrophobicContact CE1-CE1 4.04Å; F99-F132 HydrophobicContact CE1-CZ 4.43Å; F99-F132 HydrophobicContact CE2-CD1 4.32Å; F99-F132 AromaticContact CE2-CE1 3.27Å; F99-F132 HydrophobicContact CE2-CE1 3.27Å; F99-F132 AromaticContact CE2-CZ 3.83Å; F99-F132 HydrophobicContact CE2-CZ 3.83Å; F99-F132 HydrophobicContact CG-CE1 4.16Å; F99-F132 AromaticContact CZ-CE1 3.5Å; F99-F132 HydrophobicContact CZ-CE1 3.5Å; F99-F132 AromaticContact CZ-CZ 3.74Å; F99-F132 HydrophobicContact CZ-CZ 3.74Å; M128-F132 PolarHBondContact O-N 2.92Å; F129-F132 WeakPolarHBondContact O-CB 3.35Å; F129-F132 PolarHBondContact O-N 3.21Å; F129-F132 VanDerWaalsContact O-N 3.09Å; N130-F132 VanDerWaalsContact C-N 3.31Å; N130-F132 PolarHBondContact O-N 3.49Å; F132-G134 VanDerWaalsContact C-N 3.29Å; F132-G134 PolarHBondContact O-N 3.25Å; F132-R135 PolarHBondContact O-N 3.13Å; F132-F136 HydrophobicContact CD1-CE2 4.2Å; F132-F136 AromaticContact CE1-CE2 3.81Å; F132-F136 HydrophobicContact CE1-CE2 3.81Å; F132-F136 HydrophobicContact CZ-CE2 4.01Å; F132-F136 HydrophobicContact CZ-CZ 4.43Å
133A91Very high88.6Confident0 Ų044.3 Ų44.30%024%0.244CC..Hα-helixtrans-63.9-32.2-173.900000112.5F129 R135 F136 C140F129-A133 HydrophobicContact CD1-CB 3.86Å; F129-A133 HydrophobicContact CE1-CB 3.49Å; F129-A133 VanDerWaalsContact CE1-CB 3.49Å; F129-A133 HydrophobicContact CZ-CB 3.86Å; F129-A133 WeakPolarHBondContact O-CB 3Å; F129-A133 PolarHBondContact O-N 3.17Å; A133-R135 PolarHBondContact O-N 2.99Å; A133-R135 VanDerWaalsContact O-N 3.11Å; A133-F136 PolarHBondContact O-N 2.86Å; A133-C140 HydrophobicContact CB-CB 4.06Å; A133-C140 WeakPolarHBondContact CB-O 3.27Å; A133-C140 WeakPolarHBondContact O-CB 2.98Å
134G88.9Confident87.5Confident35 Ų3544 Ų4436%0.36124%0.24SC..G310 helixtrans-60.8-20.4178.300000114.2N130 F132 F136 G137N130-G134 WeakPolarHBondContact O-CA 3.34Å; N130-G134 PolarHBondContact O-N 3.36Å; F132-G134 VanDerWaalsContact C-N 3.29Å; F132-G134 PolarHBondContact O-N 3.25Å; G134-F136 VanDerWaalsContact C-N 3.27Å; G134-F136 PolarHBondContact O-N 3.03Å; G134-G137 PolarHBondContact O-N 3.47Å
135R88.9Confident85.8Confident87 Ų8745.6 Ų45.633%0.32826%0.257SS..G310 helixtrans-72.5-20.3172.2-65.2-58.6-179.3171-4113.6L41 E44 A45 S48 F132 A133 S357L41-R135 WeakPolarHBondContact CD2-O 3.3Å; E44-R135 HydrophobicContact CB-CG 4.47Å; A45-R135 HydrophobicContact CB-CB 3.86Å; A45-R135 HydrophobicContact CB-CG 4.04Å; S48-R135 PolarHBondContact OG-NE 3.42Å; S48-R135 PolarHBondContact OG-NH2 2.85Å; F132-R135 PolarHBondContact O-N 3.13Å; A133-R135 PolarHBondContact O-N 2.99Å; A133-R135 VanDerWaalsContact O-N 3.11Å; R135-S357 PolarHBondContact NH2-OG 3.45Å
136F86.8Confident83.6Confident57 Ų5747.2 Ų47.225%0.2527%0.271CS..G310 helixtrans-94.4-4.4178-59.5-82.9000112.9L41 A45 P98 F99 F132 A133 G134 C140L41-F136 HydrophobicContact CB-CE1 4.5Å; A45-F136 HydrophobicContact CB-CD2 4.49Å; A45-F136 HydrophobicContact CB-CE2 3.58Å; A45-F136 HydrophobicContact CB-CZ 3.99Å; P98-F136 HydrophobicContact CG-CD1 3.69Å; P98-F136 HydrophobicContact CG-CE1 3.96Å; P98-F136 HydrophobicContact CG-CG 3.99Å; P98-F136 HydrophobicContact CG-CZ 4.48Å; F99-F136 HydrophobicContact CD2-CD2 4.37Å; F99-F136 HydrophobicContact CD2-CE2 4.24Å; F99-F136 HydrophobicContact CE2-CD2 4.2Å; F99-F136 HydrophobicContact CE2-CE1 4.48Å; F99-F136 AromaticContact CE2-CE2 3.67Å; F99-F136 HydrophobicContact CE2-CE2 3.67Å; F99-F136 AromaticContact CE2-CZ 3.83Å; F99-F136 HydrophobicContact CE2-CZ 3.83Å; F132-F136 HydrophobicContact CD1-CE2 4.2Å; F132-F136 AromaticContact CE1-CE2 3.81Å; F132-F136 HydrophobicContact CE1-CE2 3.81Å; F132-F136 HydrophobicContact CZ-CE2 4.01Å; F132-F136 HydrophobicContact CZ-CZ 4.43Å; A133-F136 PolarHBondContact O-N 2.86Å; G134-F136 VanDerWaalsContact C-N 3.27Å; G134-F136 PolarHBondContact O-N 3.03Å; F136-C140 HydrophobicContact CB-CB 4.38Å; F136-C140 VanDerWaalsContact CB-SG 3.6Å
137G85.1Confident81.3Confident27 Ų2753.7 Ų53.728%0.27830%0.301SS..  trans122.1163.3176.700000113.3G134 S139 C140G134-G137 PolarHBondContact O-N 3.47Å; G137-S139 VanDerWaalsContact C-N 3.26Å; G137-S139 PolarHBondContact O-N 3.25Å; G137-C140 VanDerWaalsContact O-CB 3.31Å; G137-C140 WeakPolarHBondContact O-CB 3.33Å; G137-C140 PolarHBondContact O-N 2.91Å; G137-C140 VanDerWaalsContact O-N 3.07Å
138E82.2Confident79.1Confident148 Ų14853.1 Ų53.169%0.69230%0.303SS*.G310 helixtrans-64.3-30.4-177.4-68.6172.8-179.700112.8C140 L141E138-C140 PolarHBondContact O-N 3.32Å; E138-C140 VanDerWaalsContact O-N 3.15Å; E138-L141 HydrophobicContact CB-CD1 4.47Å; E138-L141 WeakPolarHBondContact O-CB 3.34Å; E138-L141 WeakPolarHBondContact O-CG 3.17Å; E138-L141 PolarHBondContact O-N 2.95Å
139S83.5Confident77.2Confident112 Ų11255.7 Ų55.778%0.78332%0.321SS*.G310 helixtrans-66.6-11.3175.556.30000113.8G137G137-S139 VanDerWaalsContact C-N 3.26Å; G137-S139 PolarHBondContact O-N 3.25Å
140C89.1Confident75.1Confident5 Ų559.7 Ų59.73%0.03435%0.345CS..G310 helixtrans-90.4-12.2173.3-86.90000113.8C97 F129 A133 F136 G137 E138C97-C140 WeakPolarHBondContact CA-SG 3.3Å; C97-C140 HydrophobicContact CB-CB 4.06Å; C97-C140 WeakPolarHBondContact CB-SG 3.18Å; C97-C140 WeakPolarHBondContact SG-CA 3.28Å; C97-C140 WeakPolarHBondContact SG-CB 3.21Å; C97-C140 CovalentContact SG-SG 2.03Å; C97-C140 PolarHBondContact SG-SG 3.09Å; F129-C140 WeakPolarHBondContact CE1-O 3.08Å; A133-C140 HydrophobicContact CB-CB 4.06Å; A133-C140 WeakPolarHBondContact CB-O 3.27Å; A133-C140 WeakPolarHBondContact O-CB 2.98Å; F136-C140 HydrophobicContact CB-CB 4.38Å; F136-C140 VanDerWaalsContact CB-SG 3.6Å; G137-C140 VanDerWaalsContact O-CB 3.31Å; G137-C140 WeakPolarHBondContact O-CB 3.33Å; G137-C140 PolarHBondContact O-N 2.91Å; G137-C140 VanDerWaalsContact O-N 3.07Å; E138-C140 PolarHBondContact O-N 3.32Å; E138-C140 VanDerWaalsContact O-N 3.15Å
141L89.9Confident72.8Confident70 Ų7064 Ų6437%0.36637%0.367SS..SBendtrans-71134-177.7-61.4176.6000109.4N130 E138 S143N130-L141 HydrophobicContact CB-CD2 3.84Å; N130-L141 WeakPolarHBondContact O-CD2 3.04Å; E138-L141 HydrophobicContact CB-CD1 4.47Å; E138-L141 WeakPolarHBondContact O-CB 3.34Å; E138-L141 WeakPolarHBondContact O-CG 3.17Å; E138-L141 PolarHBondContact O-N 2.95Å; L141-S143 PolarHBondContact O-N 3.47Å
142M87.5Confident70.7Confident3 Ų367.8 Ų67.82%0.01538%0.38CS..PPolyproline II helixtrans-71.7116.7167.7-75.716862.600108.6A103 L106 E107 L110 Q126 F129 N130A103-M142 HydrophobicContact CB-CG 3.82Å; A103-M142 HydrophobicContact CB-SD 4.48Å; L106-M142 HydrophobicContact CB-CE 3.3Å; L106-M142 HydrophobicContact CB-SD 3.5Å; L106-M142 WeakPolarHBondContact CB-SD 3.26Å; L106-M142 HydrophobicContact CD1-CE 4.49Å; L106-M142 HydrophobicContact CD1-SD 3.71Å; L106-M142 HydrophobicContact CG-SD 4.25Å; E107-M142 HydrophobicContact CB-CE 4.5Å; E107-M142 HydrophobicContact CG-CE 3.79Å; E107-M142 HydrophobicContact CG-CG 4.22Å; L110-M142 HydrophobicContact CD1-CE 3.35Å; L110-M142 HydrophobicContact CG-CE 4.17Å; Q126-M142 PolarHBondContact NE2-O 3.38Å; F129-M142 HydrophobicContact CB-SD 4.08Å; F129-M142 HydrophobicContact CD1-CB 4.18Å; F129-M142 HydrophobicContact CD1-CG 3.51Å; F129-M142 HydrophobicContact CD1-SD 3.25Å; F129-M142 WeakPolarHBondContact CD1-SD 3.06Å; F129-M142 HydrophobicContact CD2-SD 4.35Å; F129-M142 HydrophobicContact CE1-CB 4.43Å; F129-M142 HydrophobicContact CE1-CG 3.51Å; F129-M142 HydrophobicContact CE1-SD 3.7Å; F129-M142 HydrophobicContact CG-CG 4.45Å; F129-M142 HydrophobicContact CG-SD 3.62Å; F129-M142 HydrophobicContact CZ-CG 4.46Å; F129-M142 HydrophobicContact CZ-SD 4.41Å; N130-M142 PolarHBondContact ND2-O 3.36Å; N130-M142 VanDerWaalsContact ND2-O 3.16Å; N130-M142 PolarHBondContact OD1-N 3.33Å
143S79.6Confident68.7Low66 Ų6674.2 Ų74.246%0.46240%0.404SS..PPolyproline II helixtrans-72.5140.8167.242.10000108.9L141 A145L141-S143 PolarHBondContact O-N 3.47Å; S143-A145 PolarHBondContact O-N 2.84Å
144R65.2Low67.1Low69 Ų6979.7 Ų79.726%0.2643%0.433SS..  trans-67.9110.7169.1-151.6173.3-174.9156.7-1.4104.9E123 A146 V187E123-R144 IonicContact OE1-CZ 3.99Å; E123-R144 VanDerWaalsContact OE1-CZ 3.32Å; E123-R144 IonicContact OE1-NH1 2.71Å; E123-R144 PolarHBondContact OE1-NH1 3.4Å; E123-R144 IonicContact OE1-NH2 3.77Å; E123-R144 PolarHBondContact OE1-NH2 3.15Å; R144-A146 PolarHBondContact O-N 2.85Å; R144-V187 VanDerWaalsContact NH1-CG1 3.33Å
145A51.9Low66.2Low58 Ų5879.8 Ų79.848%0.47943%0.433SS..  trans-68.370.1177.100000109.7S143 E147S143-A145 PolarHBondContact O-N 2.84Å; A145-E147 PolarHBondContact O-N 3.42Å; A145-E147 VanDerWaalsContact O-N 3.14Å
146A45.9Very low64.8Low35 Ų3583.1 Ų83.129%0.28945%0.447SS..Hα-helixtrans-58.6-20172.200000111.1R144R144-A146 PolarHBondContact O-N 2.85Å
147E42.8Very low63.9Low159 Ų15985.6 Ų85.674%0.74346%0.462SS*.Hα-helixtrans-85.1-30.5-172.8-63.6-172.3161.900114.9A145A145-E147 PolarHBondContact O-N 3.42Å; A145-E147 VanDerWaalsContact O-N 3.14Å
148L44.9Very low63.3Low112 Ų11289.8 Ų89.859%0.58648%0.478SS*.Hα-helixtrans-83.2-18.8-169.7-98149.4000114.4K152L148-K152 PolarHBondContact O-N 3.27Å
149S49.7Very low62.7Low55 Ų5588.9 Ų88.939%0.38547%0.474SS..Hα-helixtrans-79.6-34.6177.379.40000112.3R153S149-R153 WeakPolarHBondContact O-CB 3.06Å; S149-R153 WeakPolarHBondContact O-CG 3.22Å; S149-R153 PolarHBondContact O-N 3.29Å
150V47.8Very low62Low83 Ų8388.1 Ų88.150%0.50346%0.46SS..Hα-helixtrans-68.5-45.6-177.2-178.40000110.8R153 L154V150-R153 PolarHBondContact O-N 3.37Å; V150-L154 HydrophobicContact CG1-CD1 3.74Å; V150-L154 WeakPolarHBondContact O-CB 3.45Å; V150-L154 WeakPolarHBondContact O-CD1 3.04Å; V150-L154 PolarHBondContact O-N 3.16Å
151I46.9Very low61.2Low132 Ų13292.4 Ų92.468%0.67748%0.482SS*.Hα-helixtrans-71.9-39.5-178.5-60.2176.6000111.5G155I151-G155 PolarHBondContact O-N 3.11Å
152K46.3Very low60.4Low111 Ų11193 Ų9348%0.48349%0.489SS..Hα-helixtrans-68.6-36.8174.5-91.9178.6175.7165.40112.4L148 G155 Y156L148-K152 PolarHBondContact O-N 3.27Å; K152-G155 PolarHBondContact O-N 3.46Å; K152-Y156 WeakPolarHBondContact O-CB 3.48Å; K152-Y156 PolarHBondContact O-N 3.36Å
153R48Very low59.3Low135 Ų13595.9 Ų95.951%0.50951%0.509SS..Hα-helixtrans-72-40.1176.4-73.4177.7-176.5-163.13.8111.6S149 V150 G155 Y156 L157 T184S149-R153 WeakPolarHBondContact O-CB 3.06Å; S149-R153 WeakPolarHBondContact O-CG 3.22Å; S149-R153 PolarHBondContact O-N 3.29Å; V150-R153 PolarHBondContact O-N 3.37Å; R153-G155 VanDerWaalsContact C-N 3.3Å; R153-G155 PolarHBondContact O-N 2.95Å; R153-Y156 PolarHBondContact O-N 2.05Å; R153-L157 VanDerWaalsContact O-CB 3.26Å; R153-L157 WeakPolarHBondContact O-CB 3.4Å; R153-L157 PolarHBondContact O-N 2.97Å; R153-T184 VanDerWaalsContact NH1-CG2 3.35Å; R153-T184 PolarHBondContact NH1-OG1 2.96Å
154L58.9Low58.5Low115 Ų11596.5 Ų96.560%0.60252%0.518SS*.Hα-helixtrans-61.6-40.6168.9-102.6107.8000110.9V150 Y156 L157 L158V150-L154 HydrophobicContact CG1-CD1 3.74Å; V150-L154 WeakPolarHBondContact O-CB 3.45Å; V150-L154 WeakPolarHBondContact O-CD1 3.04Å; V150-L154 PolarHBondContact O-N 3.16Å; L154-Y156 PolarHBondContact O-N 3.32Å; L154-L157 PolarHBondContact O-N 2.88Å; L154-L158 WeakPolarHBondContact O-CB 3.4Å; L154-L158 PolarHBondContact O-N 3.21Å
155G69.6Low58.4Low36 Ų3698.2 Ų98.237%0.37154%0.54SS..Hα-helixtrans-59.8-45.5174.800000112.5I151 K152 R153 L158 Q159I151-G155 PolarHBondContact O-N 3.11Å; K152-G155 PolarHBondContact O-N 3.46Å; R153-G155 VanDerWaalsContact C-N 3.3Å; R153-G155 PolarHBondContact O-N 2.95Å; G155-L158 PolarHBondContact O-N 2.93Å; G155-Q159 VanDerWaalsContact O-CB 3.22Å; G155-Q159 WeakPolarHBondContact O-CB 3.34Å; G155-Q159 PolarHBondContact O-N 3.15Å
156Y60Low58.2Low157 Ų157103.9 Ų103.962%0.61655%0.553SS**Hα-helixtrans-70.6-38.6178.8-154.2-96.8000112.3K152 R153 L154 Q159 L160K152-Y156 WeakPolarHBondContact O-CB 3.48Å; K152-Y156 PolarHBondContact O-N 3.36Å; R153-Y156 PolarHBondContact O-N 2.05Å; L154-Y156 PolarHBondContact O-N 3.32Å; Y156-Q159 PolarHBondContact O-N 3.36Å; Y156-L160 HydrophobicContact CD1-CD1 3.56Å; Y156-L160 HydrophobicContact CD1-CG 4.22Å; Y156-L160 HydrophobicContact CE1-CD1 3.69Å; Y156-L160 HydrophobicContact CE1-CG 4.21Å; Y156-L160 WeakPolarHBondContact O-CB 3.32Å; Y156-L160 WeakPolarHBondContact O-CG 3.38Å; Y156-L160 PolarHBondContact O-N 2.94Å
157L67.8Low58.1Low110 Ų110110.4 Ų110.458%0.57658%0.578SS**Hα-helixtrans-68.2-39.8175.5-146.7108.4000110.8R153 L154 Q159 L160 L161R153-L157 VanDerWaalsContact O-CB 3.26Å; R153-L157 WeakPolarHBondContact O-CB 3.4Å; R153-L157 PolarHBondContact O-N 2.97Å; L154-L157 PolarHBondContact O-N 2.88Å; L157-Q159 VanDerWaalsContact C-N 3.34Å; L157-L160 PolarHBondContact O-N 3.14Å; L157-L161 HydrophobicContact CD2-CD1 4.07Å; L157-L161 VanDerWaalsContact O-CB 3.3Å; L157-L161 WeakPolarHBondContact O-CB 3.44Å; L157-L161 WeakPolarHBondContact O-CG 3.34Å; L157-L161 PolarHBondContact O-N 3.02Å
158L71Confident58.1Low115 Ų115106 Ų10660%0.60258%0.575SS**Hα-helixtrans-66.5-38.3174.1-158.379.4000110.5L154 G155 L161 V162L154-L158 WeakPolarHBondContact O-CB 3.4Å; L154-L158 PolarHBondContact O-N 3.21Å; G155-L158 PolarHBondContact O-N 2.93Å; L158-L161 PolarHBondContact O-N 3.47Å; L158-V162 VanDerWaalsContact O-CB 3.3Å; L158-V162 WeakPolarHBondContact O-CB 3.42Å; L158-V162 WeakPolarHBondContact O-CG2 2.98Å; L158-V162 PolarHBondContact O-N 3.43Å
159Q71.4Confident57.8Low129 Ų129108.1 Ų108.160%0.60359%0.587SS**Hα-helixtrans-69.9-37.8176.2-167.1163.67.600112.2G155 Y156 L157 S163G155-Q159 VanDerWaalsContact O-CB 3.22Å; G155-Q159 WeakPolarHBondContact O-CB 3.34Å; G155-Q159 PolarHBondContact O-N 3.15Å; Y156-Q159 PolarHBondContact O-N 3.36Å; L157-Q159 VanDerWaalsContact C-N 3.34Å; Q159-S163 VanDerWaalsContact O-CB 3.31Å; Q159-S163 WeakPolarHBondContact O-CB 3.12Å; Q159-S163 PolarHBondContact O-N 2.66Å; Q159-S163 PolarHBondContact O-OG 3.19Å
160L67.8Low57.3Low96 Ų96112.9 Ų112.950%0.50361%0.607SS.*Hα-helixtrans-64.8-43.6171.1-86162.4000111.6Y156 L157 S163 A164Y156-L160 HydrophobicContact CD1-CD1 3.56Å; Y156-L160 HydrophobicContact CD1-CG 4.22Å; Y156-L160 HydrophobicContact CE1-CD1 3.69Å; Y156-L160 HydrophobicContact CE1-CG 4.21Å; Y156-L160 WeakPolarHBondContact O-CB 3.32Å; Y156-L160 WeakPolarHBondContact O-CG 3.38Å; Y156-L160 PolarHBondContact O-N 2.94Å; L157-L160 PolarHBondContact O-N 3.14Å; L160-S163 PolarHBondContact O-N 2.99Å; L160-A164 VanDerWaalsContact O-CB 3.26Å; L160-A164 WeakPolarHBondContact O-CB 3.06Å; L160-A164 PolarHBondContact O-N 3.16Å
161L71.9Confident56.8Low95 Ų95116.6 Ų116.650%0.49762%0.619SS.*Hα-helixtrans-65.9-42176.3-75.2167.5000111.5L157 L158 S163 A164 C165L157-L161 HydrophobicContact CD2-CD1 4.07Å; L157-L161 VanDerWaalsContact O-CB 3.3Å; L157-L161 WeakPolarHBondContact O-CB 3.44Å; L157-L161 WeakPolarHBondContact O-CG 3.34Å; L157-L161 PolarHBondContact O-N 3.02Å; L158-L161 PolarHBondContact O-N 3.47Å; L161-S163 VanDerWaalsContact C-N 3.32Å; L161-S163 PolarHBondContact O-N 3.49Å; L161-A164 PolarHBondContact O-N 3.27Å; L161-C165 WeakPolarHBondContact O-CB 3.1Å; L161-C165 PolarHBondContact O-N 2.96Å; L161-C165 PolarHBondContact O-SG 2.95Å
162V73.5Confident56.7Low83 Ų83116.8 Ų116.850%0.50362%0.622SS.*Hα-helixtrans-63.4-40.2174.6168.70000110.8L158 C165 F166L158-V162 VanDerWaalsContact O-CB 3.3Å; L158-V162 WeakPolarHBondContact O-CB 3.42Å; L158-V162 WeakPolarHBondContact O-CG2 2.98Å; L158-V162 PolarHBondContact O-N 3.43Å; V162-C165 PolarHBondContact O-N 3.2Å; V162-F166 PolarHBondContact O-N 2.98Å
163S64.5Low56.3Low62 Ų62118.5 Ų118.543%0.43464%0.636SS.*Hα-helixtrans-68.8-41.6177.3-55.90000111.6Q159 L160 L161 C165 F166 Q167Q159-S163 VanDerWaalsContact O-CB 3.31Å; Q159-S163 WeakPolarHBondContact O-CB 3.12Å; Q159-S163 PolarHBondContact O-N 2.66Å; Q159-S163 PolarHBondContact O-OG 3.19Å; L160-S163 PolarHBondContact O-N 2.99Å; L161-S163 VanDerWaalsContact C-N 3.32Å; L161-S163 PolarHBondContact O-N 3.49Å; S163-C165 VanDerWaalsContact C-N 3.28Å; S163-C165 PolarHBondContact O-N 3.47Å; S163-F166 PolarHBondContact O-N 3.35Å; S163-Q167 PolarHBondContact O-N 2.94Å
164A63.8Low56Low79 Ų79118.7 Ų118.765%0.65365%0.652SS**Hα-helixtrans-66.3-29.2175.900000112.6L160 L161L160-A164 VanDerWaalsContact O-CB 3.26Å; L160-A164 WeakPolarHBondContact O-CB 3.06Å; L160-A164 PolarHBondContact O-N 3.16Å; L161-A164 PolarHBondContact O-N 3.27Å
165C61.9Low54.9Low106 Ų106119.1 Ų119.172%0.71666%0.659SS**Hα-helixtrans-81.3-16.9176.4-72.90000114.3L161 V162 S163L161-C165 WeakPolarHBondContact O-CB 3.1Å; L161-C165 PolarHBondContact O-N 2.96Å; L161-C165 PolarHBondContact O-SG 2.95Å; V162-C165 PolarHBondContact O-N 3.2Å; S163-C165 VanDerWaalsContact C-N 3.28Å; S163-C165 PolarHBondContact O-N 3.47Å
166F47.8Very low53.4Low176 Ų176123.9 Ų123.977%0.77268%0.681SS**Hα-helixtrans-110.81.8-173.6-98.4-80.3000116.6V162 S163V162-F166 PolarHBondContact O-N 2.98Å; S163-F166 PolarHBondContact O-N 3.35Å
167Q44.7Very low52.4Low173 Ų173121.9 Ų121.981%0.80869%0.69SS**  trans-107.781.9169.1-84.8167.7-35.800111S163S163-Q167 PolarHBondContact O-N 2.94Å
168G42.6Very low51.5Low65 Ų65121.1 Ų121.167%0.6769%0.691SS**  trans-67.8141.8154.300000110.1
169D38.9Very low50.1Low158 Ų158124.3 Ų124.385%0.84570%0.703SS**  trans68.399.7173.2-58.5-29.7000116.7
170L39Very low48.7Very low154 Ų154124 Ų12481%0.80671%0.705SS**  163.6124.890.3-155.174.8000111.1
171Q37.8Very low47.5Very low161 Ų161124.5 Ų124.575%0.75271%0.711SS**  trans-4.7119.6153.9-80.9163.7-32.400119
172N44.7Very low46.2Very low137 Ų137126.2 Ų126.273%0.73372%0.721SS**  157.4139.598.4-91.6-16.9000111
173D37.7Very low44.6Very low147 Ų147127.9 Ų127.979%0.78673%0.731SS**  trans25.3116.4151.1-72.2-33.8000118.2
174V40.7Very low43.7Very low138 Ų138128 Ų12884%0.83673%0.729SS**  -168.2123.7104.7152.60000108.7
175T35.9Very low43.4Very low124 Ų124128.1 Ų128.176%0.76172%0.722SS**  trans-50.8134.1161.912.40000112.3
176V38.7Very low43.4Very low137 Ų137127.6 Ų127.683%0.8373%0.725SS**  162.3101.9128.2172.80000105
177S38.3Very low44.7Very low115 Ų115121.5 Ų121.580%0.80470%0.702SS**  trans-113.7112168.4-166.20000108.2E179S177-E179 PolarHBondContact O-N 3.44Å
178P50.1Low46.3Very low93 Ų93114.8 Ų114.860%0.60467%0.67SS**  trans-71.3121.9173.729.5-29.8000108.1I180P178-I180 HydrophobicContact CB-CG1 4.46Å; P178-I180 PolarHBondContact O-N 3.26Å
179E40.9Very low48.2Very low182 Ų182113.4 Ų113.485%0.8565%0.65SS**  trans-72.175.8176.4-158.8172.7-161.400109S177 V181S177-E179 PolarHBondContact O-N 3.44Å; E179-V181 VanDerWaalsContact C-N 3.3Å; E179-V181 HydrophobicContact CG-CG2 4Å; E179-V181 PolarHBondContact O-N 2.84Å; E179-V181 VanDerWaalsContact O-N 3.09Å
180I42.5Very low50.3Low123 Ų123107.8 Ų107.863%0.63162%0.623SS**  trans-7790.7166.8-55177.1000105.8P178 N182P178-I180 HydrophobicContact CB-CG1 4.46Å; P178-I180 PolarHBondContact O-N 3.26Å; I180-N182 WeakPolarHBondContact CG2-OD1 3.37Å; I180-N182 PolarHBondContact O-N 3.02Å
181V41.7Very low52.4Low107 Ų107100.7 Ų100.765%0.64859%0.586SS**  trans-70.584.1168.1-174.60000107.2E179 V183E179-V181 VanDerWaalsContact C-N 3.3Å; E179-V181 HydrophobicContact CG-CG2 4Å; E179-V181 PolarHBondContact O-N 2.84Å; E179-V181 VanDerWaalsContact O-N 3.09Å; V181-V183 VanDerWaalsContact C-N 3.32Å; V181-V183 HydrophobicContact CG1-CG2 4.09Å; V181-V183 PolarHBondContact O-N 2.88Å
182N44.3Very low54.2Low131 Ų13196.3 Ų96.370%0.70157%0.568SS**  trans-67.993.3169.6-89.2-12.7000108.3I180 T184I180-N182 WeakPolarHBondContact CG2-OD1 3.37Å; I180-N182 PolarHBondContact O-N 3.02Å; N182-T184 PolarHBondContact O-N 2.87Å
183V40.8Very low55.6Low118 Ų11894.9 Ų94.972%0.71556%0.564SS**  trans-7085.1168.3-176.20000107.4V181 V185V181-V183 VanDerWaalsContact C-N 3.32Å; V181-V183 HydrophobicContact CG1-CG2 4.09Å; V181-V183 PolarHBondContact O-N 2.88Å; V183-V185 HydrophobicContact CG1-CG2 4.31Å; V183-V185 PolarHBondContact O-N 3.45Å
184T46Very low57.4Low63 Ų6389.5 Ų89.539%0.38754%0.536SS..  trans-76.2104.3166.2490000108.3R153 N182 A186R153-T184 VanDerWaalsContact NH1-CG2 3.35Å; R153-T184 PolarHBondContact NH1-OG1 2.96Å; N182-T184 PolarHBondContact O-N 2.87Å; T184-A186 PolarHBondContact O-N 3.46Å
185V56.1Low59Low83 Ų8389 Ų8950%0.50353%0.534SS..  trans-67.5102.5169.7-176.50000106.6L119 V183 V187L119-V185 HydrophobicContact CD2-CB 3.78Å; L119-V185 HydrophobicContact CD2-CG1 4.45Å; L119-V185 HydrophobicContact CD2-CG2 4.07Å; V183-V185 HydrophobicContact CG1-CG2 4.31Å; V183-V185 PolarHBondContact O-N 3.45Å; V185-V187 PolarHBondContact O-N 2.67Å; V185-V187 VanDerWaalsContact O-N 3.1Å
186A62.7Low60.8Low94 Ų9485 Ų8578%0.77751%0.507SS*.  trans-64.9111173.400000108T184 Q188T184-A186 PolarHBondContact O-N 3.46Å; A186-Q188 PolarHBondContact O-N 3.03Å
187V74.8Confident62.6Low48 Ų4884.6 Ų84.629%0.29150%0.497SS..PPolyproline II helixtrans-83.7118.4176.4-179.60000108.9R144 V185R144-V187 VanDerWaalsContact NH1-CG1 3.33Å; V185-V187 PolarHBondContact O-N 2.67Å; V185-V187 VanDerWaalsContact O-N 3.1Å
188Q78.2Confident64.2Low32 Ų3285.7 Ų85.715%0.1550%0.504CS..PPolyproline II helixtrans-59.6133.5175.9-71.4166.9-39.700110A186 T240 D241 Q243 R246A186-Q188 PolarHBondContact O-N 3.03Å; Q188-T240 PolarHBondContact NE2-O 3.38Å; Q188-T240 PolarHBondContact OE1-O 3.15Å; Q188-D241 PolarHBondContact NE2-O 3.36Å; Q188-Q243 PolarHBondContact NE2-O 3.47Å; Q188-R246 HydrophobicContact CB-CG 3.91Å; Q188-R246 VanDerWaalsContact OE1-CG 3.23Å
189P82.9Confident65.4Low36 Ų3687.1 Ų87.123%0.23451%0.506CS..PPolyproline II helixtrans-66.6158.7175.428.7-34.9000111.5V194 F244 C245 R246P189-V194 HydrophobicContact CB-CG2 3.88Å; P189-V194 HydrophobicContact CG-CG2 3.9Å; P189-F244 WeakPolarHBondContact CD-O 3.2Å; P189-C245 HydrophobicContact CG-CB 4.17Å; P189-C245 CarbonylContact O-C 3.51Å; P189-C245 WeakPolarHBondContact O-CA 3.28Å; P189-C245 WeakPolarHBondContact O-CB 3.25Å; P189-R246 PolarHBondContact O-N 3.06Å
190S83.2Confident67.1Low40 Ų4081.8 Ų81.828%0.2848%0.482SS..BIsolated β-bridgetrans-72.2132.7169168.10000110.2D192 V193 V194 R246S190-D192 PolarHBondContact O-N 3.11Å; S190-D192 WeakPolarHBondContact OG-CB 3.37Å; S190-D192 PolarHBondContact OG-N 3.26Å; S190-D192 VanDerWaalsContact OG-N 3.14Å; S190-D192 PolarHBondContact OG-OD2 3.37Å; S190-V193 PolarHBondContact O-N 2.89Å; S190-V194 PolarHBondContact O-N 3.45Å; S190-R246 CarbonylContact C-O 3.13Å; S190-R246 WeakPolarHBondContact CA-O 3.34Å
191C82.9Confident68.8Low5 Ų581.2 Ų81.23%0.03448%0.479CS..THydrogen-bonded Turntrans-64.4-16.5175.4-57.20000113V193 I202 C245 R246 T247C191-V193 PolarHBondContact O-N 3.49Å; C191-I202 HydrophobicContact CB-CD1 3.67Å; C191-I202 WeakPolarHBondContact SG-CD1 3.48Å; C191-C245 WeakPolarHBondContact CA-SG 2.89Å; C191-C245 HydrophobicContact CB-CB 4Å; C191-C245 WeakPolarHBondContact CB-SG 3.32Å; C191-C245 WeakPolarHBondContact SG-CB 3.22Å; C191-C245 PolarHBondContact SG-O 3.11Å; C191-C245 CovalentContact SG-SG 2.03Å; C191-C245 PolarHBondContact SG-SG 2.84Å; C191-R246 PolarHBondContact N-O 3.18Å; C191-R246 PolarHBondContact SG-O 2.99Å; C191-R246 VanDerWaalsContact SG-O 3.37Å; C191-T247 HydrophobicContact CB-CG2 4.2Å
192D74.9Confident70.7Confident69 Ų6976.4 Ų76.437%0.36945%0.449SS..THydrogen-bonded Turntrans-71.3-18.9177.4-56.3-36.5000112.1S190 I311 T315S190-D192 PolarHBondContact O-N 3.11Å; S190-D192 WeakPolarHBondContact OG-CB 3.37Å; S190-D192 PolarHBondContact OG-N 3.26Å; S190-D192 VanDerWaalsContact OG-N 3.14Å; S190-D192 PolarHBondContact OG-OD2 3.37Å; D192-I311 WeakPolarHBondContact OD1-CG2 3.18Å; D192-T315 HydrophobicContact CB-CG2 4.45Å; D192-T315 VanDerWaalsContact OD1-CG2 3.27Å; D192-T315 WeakPolarHBondContact OD1-CG2 3.5Å
193V74.9Confident72.7Confident108 Ų10877.3 Ų77.366%0.65544%0.443SS*.THydrogen-bonded Turntrans-104.7-25.2-177.9-168.90000111.6S190 C191S190-V193 PolarHBondContact O-N 2.89Å; C191-V193 PolarHBondContact O-N 3.49Å
194V74.5Confident74.9Confident34 Ų3471.9 Ų71.921%0.20641%0.41CS..SBendtrans-84.9127.6-176.7178.10000109.9P189 S190 L196 F244P189-V194 HydrophobicContact CB-CG2 3.88Å; P189-V194 HydrophobicContact CG-CG2 3.9Å; S190-V194 PolarHBondContact O-N 3.45Å; V194-L196 PolarHBondContact O-N 2.92Å; V194-F244 HydrophobicContact CG1-CE1 3.92Å
195T74.8Confident77.1Confident127 Ų12769 Ų6978%0.77939%0.392SS*.  trans-80.3105.7168.1-48.40000107.6E197T195-E197 PolarHBondContact O-N 3.17Å
196L72.9Confident78.8Confident39 Ų3965.2 Ų65.220%0.20437%0.369CS..  trans-61132177.2-66.3163.3000110V194 E200 I202 I311V194-L196 PolarHBondContact O-N 2.92Å; L196-E200 HydrophobicContact CB-CB 4.41Å; L196-E200 HydrophobicContact CD2-CB 4.07Å; L196-I202 HydrophobicContact CD1-CD1 3.57Å; L196-I202 HydrophobicContact CD1-CG1 4.19Å; L196-I202 HydrophobicContact CD2-CD1 3.87Å; L196-I202 HydrophobicContact CD2-CG1 3.92Å; L196-I202 HydrophobicContact CG-CD1 4.25Å; L196-I311 HydrophobicContact CD1-CD1 4.05Å
197E77.2Confident80.1Confident130 Ų13063.3 Ų63.361%0.60735%0.349SS*.  trans-65153.9167.5-62.4-167.3160.700109.6T195 D199 E200T195-E197 PolarHBondContact O-N 3.17Å; E197-D199 PolarHBondContact O-N 2.86Å; E197-E200 HydrophobicContact CB-CG 4.07Å; E197-E200 PolarHBondContact N-OE2 3.28Å; E197-E200 VanDerWaalsContact N-OE2 3.07Å; E197-E200 PolarHBondContact O-N 2.86Å
198S71.5Confident80.9Confident137 Ų13762.9 Ų62.996%0.95835%0.348SS*.THydrogen-bonded Turntrans-60.1-14.2-171.340.10000115.4
199D76.3Confident81.5Confident123 Ų12361.4 Ų61.466%0.65834%0.341SS*.THydrogen-bonded Turntrans-109.2-5.6177.157-38.6000114E197E197-D199 PolarHBondContact O-N 2.86Å
200E76.9Confident81.8Confident70 Ų7060.7 Ų60.733%0.32734%0.34SS..  trans-80.4121.5174.3-71.3-177.9149.700110.4L196 E197L196-E200 HydrophobicContact CB-CB 4.41Å; L196-E200 HydrophobicContact CD2-CB 4.07Å; E197-E200 HydrophobicContact CB-CG 4.07Å; E197-E200 PolarHBondContact N-OE2 3.28Å; E197-E200 VanDerWaalsContact N-OE2 3.07Å; E197-E200 PolarHBondContact O-N 2.86Å
201I77.7Confident81.6Confident111 Ų11163.7 Ų63.757%0.56936%0.361SS*.  trans-118.9121.6-179.5-38.5177.9000108.4R203 F305I201-R203 PolarHBondContact O-N 3.23Å; I201-F305 HydrophobicContact CB-CD1 4.11Å; I201-F305 HydrophobicContact CB-CE1 4.46Å; I201-F305 HydrophobicContact CG2-CB 3.65Å; I201-F305 HydrophobicContact CG2-CD1 3.17Å; I201-F305 HydrophobicContact CG2-CE1 3.92Å; I201-F305 HydrophobicContact CG2-CG 3.54Å
202I81.3Confident81.4Confident7 Ų765.6 Ų65.64%0.03637%0.374CS..PPolyproline II helixtrans-81117.4170.5-59.3158.3000107.4C191 L196 N204 C245 T247 Y306 I311C191-I202 HydrophobicContact CB-CD1 3.67Å; C191-I202 WeakPolarHBondContact SG-CD1 3.48Å; L196-I202 HydrophobicContact CD1-CD1 3.57Å; L196-I202 HydrophobicContact CD1-CG1 4.19Å; L196-I202 HydrophobicContact CD2-CD1 3.87Å; L196-I202 HydrophobicContact CD2-CG1 3.92Å; L196-I202 HydrophobicContact CG-CD1 4.25Å; I202-N204 PolarHBondContact O-N 3.03Å; I202-C245 VanDerWaalsContact CD1-SG 3.59Å; I202-T247 HydrophobicContact CD1-CG2 4.38Å; I202-T247 HydrophobicContact CG2-CG2 3.88Å; I202-Y306 HydrophobicContact CG2-CD2 4.26Å; I202-Y306 PolarHBondContact O-N 3.34Å; I202-I311 HydrophobicContact CD1-CD1 3.59Å
203R85.7Confident82.1Confident150 Ų15062.9 Ų62.957%0.56636%0.36SS*.BIsolated β-bridgetrans-69.7131.1174.1-168.7-179.1-176-170.90.5108.7I201 C205 H250 F305I201-R203 PolarHBondContact O-N 3.23Å; R203-C205 PolarHBondContact O-N 2.88Å; R203-H250 PolarHBondContact O-CE1 3.33Å; R203-F305 HydrophobicContact CB-CE1 4.45Å; R203-F305 HydrophobicContact CG-CE1 4.39Å
204N86.7Confident83Confident4 Ų461.6 Ų61.62%0.02134%0.343CS..PPolyproline II helixtrans-70.4117.5167.6-175.91.9000108.6I202 V206 P207 S301 D303 E304 Y306I202-N204 PolarHBondContact O-N 3.03Å; N204-V206 WeakPolarHBondContact OD1-CB 3.34Å; N204-V206 VanDerWaalsContact OD1-CG2 3.28Å; N204-V206 WeakPolarHBondContact OD1-CG2 3.32Å; N204-V206 PolarHBondContact OD1-N 2.64Å; N204-P207 WeakPolarHBondContact O-CD 3.09Å; N204-S301 PolarHBondContact ND2-O 3.03Å; N204-D303 WeakPolarHBondContact CB-O 3.3Å; N204-D303 PolarHBondContact ND2-O 3.47Å; N204-E304 PolarHBondContact N-O 2.97Å; N204-Y306 HydrophobicContact CB-CD2 4.18Å; N204-Y306 HydrophobicContact CB-CE2 3.78Å; N204-Y306 PolarHBondContact OD1-OH 3.47Å; N204-Y306 VanDerWaalsContact OD1-OH 3.07Å
205C93.1Very high83.8Confident1 Ų160.3 Ų60.31%0.00734%0.335CS..  trans-87.3-14.2-179.7-68.90000112.5R203 P207 S208 F236 C239 T240 H250R203-C205 PolarHBondContact O-N 2.88Å; C205-P207 VanDerWaalsContact C-CD 3.44Å; C205-P207 VanDerWaalsContact C-N 3.33Å; C205-S208 WeakPolarHBondContact O-CB 3.4Å; C205-S208 PolarHBondContact O-N 2.93Å; C205-S208 PolarHBondContact O-OG 3.38Å; C205-F236 HydrophobicContact CB-CD2 3.89Å; C205-F236 HydrophobicContact CB-CE2 3.82Å; C205-F236 WeakPolarHBondContact O-CD2 3.22Å; C205-C239 WeakPolarHBondContact CA-SG 3.19Å; C205-C239 HydrophobicContact CB-CB 3.66Å; C205-C239 WeakPolarHBondContact CB-SG 3.35Å; C205-C239 WeakPolarHBondContact SG-CB 3.24Å; C205-C239 PolarHBondContact SG-O 2.03Å; C205-C239 VanDerWaalsContact SG-O 3.39Å; C205-C239 CovalentContact SG-SG 2.04Å; C205-C239 PolarHBondContact SG-SG 3.3Å; C205-T240 HydrophobicContact CB-CG2 3.92Å; C205-T240 PolarHBondContact SG-N 2.88Å; C205-H250 PolarHBondContact N-NE2 2.05Å; C205-H250 VanDerWaalsContact N-NE2 3.12Å
206V91.8Very high84.6Confident4 Ų454.2 Ų54.22%0.02430%0.298CS..G310 helixtrans-55.9-38.5-179.1-176.90000113.6N204 S208 L209 I213 F236 L253 F300N204-V206 WeakPolarHBondContact OD1-CB 3.34Å; N204-V206 VanDerWaalsContact OD1-CG2 3.28Å; N204-V206 WeakPolarHBondContact OD1-CG2 3.32Å; N204-V206 PolarHBondContact OD1-N 2.64Å; V206-S208 PolarHBondContact O-N 2.82Å; V206-L209 WeakPolarHBondContact O-CB 3.46Å; V206-L209 PolarHBondContact O-N 3.17Å; V206-I213 HydrophobicContact CG1-CB 4.11Å; V206-I213 HydrophobicContact CG1-CG1 4.04Å; V206-F236 HydrophobicContact CG2-CE2 4.31Å; V206-L253 HydrophobicContact CG1-CD1 4.43Å; V206-L253 HydrophobicContact CG2-CD1 3.56Å; V206-F300 HydrophobicContact CB-CB 4.5Å; V206-F300 HydrophobicContact CG1-CB 3.68Å; V206-F300 HydrophobicContact CG1-CD2 4.48Å; V206-F300 HydrophobicContact CG1-CG 4.18Å
207P90.7Very high85.5Confident55 Ų5554.6 Ų54.636%0.35730%0.298SS..G310 helixtrans-56.1-21.8174.5-28.536.5000115N204 C205 L209 G210N204-P207 WeakPolarHBondContact O-CD 3.09Å; C205-P207 VanDerWaalsContact C-CD 3.44Å; C205-P207 VanDerWaalsContact C-N 3.33Å; P207-L209 PolarHBondContact O-N 3.23Å; P207-G210 PolarHBondContact O-N 3.21Å; P207-G210 VanDerWaalsContact O-N 3.13Å
208S91.1Very high86.3Confident39 Ų3948.6 Ų48.627%0.27327%0.271SS..G310 helixtrans-68.6-21.8174.7780000112.9C205 V206 F236C205-S208 WeakPolarHBondContact O-CB 3.4Å; C205-S208 PolarHBondContact O-N 2.93Å; C205-S208 PolarHBondContact O-OG 3.38Å; V206-S208 PolarHBondContact O-N 2.82Å; S208-F236 VanDerWaalsContact OG-CA 3.29Å; S208-F236 WeakPolarHBondContact OG-CA 3.22Å; S208-F236 PolarHBondContact OG-N 3.12Å
209L91.2Very high87.3Confident1 Ų142.4 Ų42.41%0.00523%0.227CC..G310 helixtrans-82.8-17.5173.7-61.1169.2000111.9V206 P207 I213 L229 K232 F236 L257V206-L209 WeakPolarHBondContact O-CB 3.46Å; V206-L209 PolarHBondContact O-N 3.17Å; P207-L209 PolarHBondContact O-N 3.23Å; L209-I213 HydrophobicContact CB-CD1 3.59Å; L209-I213 HydrophobicContact CB-CG1 3.7Å; L209-I213 HydrophobicContact CD1-CG1 4.37Å; L209-L229 HydrophobicContact CB-CD2 4.41Å; L209-K232 HydrophobicContact CD2-CB 4.19Å; L209-K232 WeakPolarHBondContact O-CD 3.36Å; L209-K232 PolarHBondContact O-NZ 3.22Å; L209-F236 HydrophobicContact CD1-CB 4.48Å; L209-F236 HydrophobicContact CD1-CD1 4.46Å; L209-F236 HydrophobicContact CD1-CD2 3.67Å; L209-F236 HydrophobicContact CD1-CE2 3.91Å; L209-F236 HydrophobicContact CD1-CG 3.96Å; L209-F236 HydrophobicContact CD1-CZ 4.4Å; L209-F236 HydrophobicContact CD2-CB 3.63Å; L209-F236 HydrophobicContact CD2-CD2 4.34Å; L209-F236 HydrophobicContact CD2-CG 4Å; L209-F236 HydrophobicContact CG-CB 3.96Å; L209-F236 HydrophobicContact CG-CD2 3.77Å; L209-F236 HydrophobicContact CG-CE2 4.48Å; L209-F236 HydrophobicContact CG-CG 3.95Å; L209-L257 HydrophobicContact CD1-CD1 3.48Å; L209-L257 VanDerWaalsContact CD1-CD1 3.48Å; L209-L257 HydrophobicContact CD2-CD1 3.92Å; L209-L257 HydrophobicContact CG-CD1 4.36Å
210G88.7Confident88.1Confident20 Ų2036.5 Ų36.521%0.20620%0.196CC..  trans133.1170.1-178.500000112.1P207 S212P207-G210 PolarHBondContact O-N 3.21Å; P207-G210 VanDerWaalsContact O-N 3.13Å; G210-S212 VanDerWaalsContact C-N 3.27Å; G210-S212 PolarHBondContact O-N 3.1Å
211S78.1Confident88.8Confident103 Ų10333.6 Ų33.672%0.7218%0.182SC*.SBendtrans-75.1-6.2-17155.30000115.7
212S80.7Confident89.1Confident45 Ų4528.3 Ų28.332%0.31516%0.155SC..  trans-157.563.1-170.546.40000112.1G210 E299G210-S212 VanDerWaalsContact C-N 3.27Å; G210-S212 PolarHBondContact O-N 3.1Å; S212-E299 WeakPolarHBondContact CA-OE1 3.21Å; S212-E299 WeakPolarHBondContact CB-OE1 3.03Å
213I89.4Confident89.4Confident12 Ų1232.9 Ų32.96%0.06218%0.175CC..  trans-75.2133.5170.7-55.9-73.4000108.3V206 L209 L229 F300V206-I213 HydrophobicContact CG1-CB 4.11Å; V206-I213 HydrophobicContact CG1-CG1 4.04Å; L209-I213 HydrophobicContact CB-CD1 3.59Å; L209-I213 HydrophobicContact CB-CG1 3.7Å; L209-I213 HydrophobicContact CD1-CG1 4.37Å; I213-L229 HydrophobicContact CD1-CD2 3.29Å; I213-F300 HydrophobicContact CB-CD2 3.81Å; I213-F300 HydrophobicContact CG2-CD2 3.62Å; I213-F300 HydrophobicContact CG2-CE2 3.87Å; I213-F300 VanDerWaalsContact O-CD2 3.28Å; I213-F300 WeakPolarHBondContact O-CD2 3.4Å; I213-F300 PolarHBondContact O-N 3.24Å
214R92.4Very high89.5Confident81 Ų8129.4 Ų29.431%0.30617%0.173SC..BIsolated β-bridgetrans-136.6129.4175.4-72.6178.3-177.8-111.31.9107.9G216 Q217 T218 D297 E299R214-G216 PolarHBondContact O-N 2.91Å; R214-Q217 HydrophobicContact CB-CB 3.86Å; R214-Q217 PolarHBondContact O-N 3.11Å; R214-T218 PolarHBondContact O-N 3.13Å; R214-T218 PolarHBondContact O-OG1 3.38Å; R214-D297 WeakPolarHBondContact CB-OD1 3.12Å; R214-D297 WeakPolarHBondContact CB-OD2 3.05Å; R214-D297 PolarHBondContact NH1-O 3.33Å; R214-E299 HydrophobicContact CG-CB 4.15Å; R214-E299 HydrophobicContact CG-CG 4.25Å; R214-E299 IonicContact CZ-OE2 3.72Å; R214-E299 IonicContact NE-OE2 3.65Å; R214-E299 IonicContact NH2-OE2 2.71Å; R214-E299 PolarHBondContact NH2-OE2 3.16Å
215I91.6Very high89.6Confident7 Ų732.4 Ų32.44%0.03619%0.186CC..Hα-helixtrans-59.3-48.3-174.6-68.5-62000110.8Q217 T218 L219 L253 M256 D297 F300 F321 Y348 Y351I215-Q217 PolarHBondContact O-N 3.47Å; I215-T218 PolarHBondContact O-N 3.34Å; I215-L219 HydrophobicContact CG2-CD1 3.55Å; I215-L219 HydrophobicContact CG2-CG 4.15Å; I215-L219 WeakPolarHBondContact O-CB 3Å; I215-L219 WeakPolarHBondContact O-CG 3.2Å; I215-L219 PolarHBondContact O-N 3.3Å; I215-L253 HydrophobicContact CD1-CD2 3.78Å; I215-M256 HydrophobicContact CD1-CE 3.58Å; I215-M256 HydrophobicContact CD1-SD 3.72Å; I215-M256 HydrophobicContact CG2-SD 4.48Å; I215-D297 PolarHBondContact N-OD1 2.81Å; I215-F300 HydrophobicContact CD1-CE2 3.5Å; I215-F300 HydrophobicContact CD1-CZ 3.5Å; I215-F300 HydrophobicContact CG1-CE2 3.54Å; I215-F300 HydrophobicContact CG1-CZ 3.5Å; I215-F321 HydrophobicContact CG2-CD1 3.97Å; I215-F321 HydrophobicContact CG2-CG 4.47Å; I215-Y348 HydrophobicContact CG2-CD2 4.27Å; I215-Y351 HydrophobicContact CD1-CD1 4.16Å; I215-Y351 HydrophobicContact CD1-CD2 3.73Å; I215-Y351 HydrophobicContact CD1-CE1 4.09Å; I215-Y351 HydrophobicContact CD1-CE2 3.72Å; I215-Y351 HydrophobicContact CD1-CG 3.99Å; I215-Y351 HydrophobicContact CG1-CD1 4.23Å; I215-Y351 HydrophobicContact CG1-CE1 3.84Å; I215-Y351 HydrophobicContact CG1-CE2 4.23Å; I215-Y351 HydrophobicContact CG2-CD1 4.45Å
216G91.6Very high89.5Confident0 Ų034 Ų340%019%0.193CC..Hα-helixtrans-61.9-43.2-18000000113R214 L219 L220 D297R214-G216 PolarHBondContact O-N 2.91Å; G216-L219 PolarHBondContact O-N 2.97Å; G216-L220 WeakPolarHBondContact O-CB 3.37Å; G216-L220 PolarHBondContact O-N 3.48Å; G216-D297 WeakPolarHBondContact CA-OD1 3.3Å; G216-D297 WeakPolarHBondContact CA-OD2 3.34Å; G216-D297 VanDerWaalsContact N-CG 3.32Å; G216-D297 PolarHBondContact N-OD1 3.14Å; G216-D297 PolarHBondContact N-OD2 2.68Å
217Q92.5Very high89.5Confident46 Ų4640.6 Ų40.622%0.21523%0.228CC..Hα-helixtrans-63.8-43.6174.5-167.71775.500112.3R214 I215 L219 D221 G222 Y279 D297R214-Q217 HydrophobicContact CB-CB 3.86Å; R214-Q217 PolarHBondContact O-N 3.11Å; I215-Q217 PolarHBondContact O-N 3.47Å; Q217-L219 VanDerWaalsContact C-N 3.31Å; Q217-L219 PolarHBondContact O-N 2.77Å; Q217-D221 HydrophobicContact CG-CB 3.95Å; Q217-D221 CarbonylContact O-C 3.57Å; Q217-D221 WeakPolarHBondContact O-CA 3.15Å; Q217-D221 WeakPolarHBondContact O-CB 3.34Å; Q217-D221 PolarHBondContact O-N 3.25Å; Q217-G222 PolarHBondContact O-N 3.05Å; Q217-Y279 HydrophobicContact CB-CE1 4.22Å; Q217-Y279 HydrophobicContact CG-CE1 4.27Å; Q217-D297 PolarHBondContact N-OD2 3.36Å
218T92.8Very high89.6Confident5 Ų541.3 Ų41.33%0.03123%0.228CC..Hα-helixtrans-62.4-40.3176.7-64.10000111.6R214 I215 G222 L229 M256 L257R214-T218 PolarHBondContact O-N 3.13Å; R214-T218 PolarHBondContact O-OG1 3.38Å; I215-T218 PolarHBondContact O-N 3.34Å; T218-G222 WeakPolarHBondContact O-CA 3.3Å; T218-G222 PolarHBondContact O-N 2.99Å; T218-L229 HydrophobicContact CG2-CD1 3.76Å; T218-M256 HydrophobicContact CG2-CE 3.96Å; T218-L257 HydrophobicContact CG2-CD2 4.25Å
219L92.9Very high89.7Confident6 Ų639.5 Ų39.53%0.03122%0.216CC..Hα-helixtrans-75.6-41.1-177-69.3178.7000113.4I215 G216 Q217 M256 F321 T344 L347 Y348I215-L219 HydrophobicContact CG2-CD1 3.55Å; I215-L219 HydrophobicContact CG2-CG 4.15Å; I215-L219 WeakPolarHBondContact O-CB 3Å; I215-L219 WeakPolarHBondContact O-CG 3.2Å; I215-L219 PolarHBondContact O-N 3.3Å; G216-L219 PolarHBondContact O-N 2.97Å; Q217-L219 VanDerWaalsContact C-N 3.31Å; Q217-L219 PolarHBondContact O-N 2.77Å; L219-M256 HydrophobicContact CD2-CG 4.45Å; L219-M256 HydrophobicContact CD2-SD 3.94Å; L219-M256 HydrophobicContact CG-SD 4.33Å; L219-F321 HydrophobicContact CD1-CD1 4.07Å; L219-F321 HydrophobicContact CD1-CE1 3.69Å; L219-T344 HydrophobicContact CB-CG2 4.27Å; L219-L347 HydrophobicContact CD2-CB 3.26Å; L219-L347 HydrophobicContact CD2-CD1 3.96Å; L219-L347 HydrophobicContact CD2-CG 4.27Å; L219-Y348 HydrophobicContact CD1-CD2 4.06Å; L219-Y348 HydrophobicContact CD1-CG 4.45Å
220L93.1Very high89.9Confident0 Ų041.1 Ų41.10%023%0.226CC..Hα-helixtrans-103.2-32.4-172.7-60.2176.5000112.9G216 T275 T276 Y279 F321 M328 L332 T344G216-L220 WeakPolarHBondContact O-CB 3.37Å; G216-L220 PolarHBondContact O-N 3.48Å; L220-T275 CarbonylContact O-C 3.19Å; L220-T275 VanDerWaalsContact O-CB 3.24Å; L220-T275 WeakPolarHBondContact O-CB 3.1Å; L220-T275 PolarHBondContact O-OG1 2.86Å; L220-T276 VanDerWaalsContact O-CA 3.26Å; L220-T276 WeakPolarHBondContact O-CA 3.18Å; L220-T276 PolarHBondContact O-N 3.4Å; L220-Y279 HydrophobicContact CB-CD2 3.8Å; L220-Y279 HydrophobicContact CB-CG 3.8Å; L220-Y279 HydrophobicContact CD1-CD2 3.49Å; L220-Y279 VanDerWaalsContact CD1-CD2 3.49Å; L220-Y279 HydrophobicContact CD1-CE2 4.1Å; L220-Y279 HydrophobicContact CD1-CG 4.3Å; L220-Y279 HydrophobicContact CG-CD2 4.28Å; L220-F321 HydrophobicContact CD1-CE2 4.37Å; L220-F321 HydrophobicContact CD1-CZ 3.77Å; L220-F321 HydrophobicContact CG-CZ 4.23Å; L220-M328 HydrophobicContact CD1-CE 4.47Å; L220-L332 HydrophobicContact CD2-CD2 4.03Å; L220-T344 HydrophobicContact CD2-CG2 3.75Å
221D91.5Very high90.2Very high9 Ų946.1 Ų46.15%0.04824%0.244CC..SBendtrans-104.829.3172.8-174.332000112.4Q217 K223 S224 T276 Y279Q217-D221 HydrophobicContact CG-CB 3.95Å; Q217-D221 CarbonylContact O-C 3.57Å; Q217-D221 WeakPolarHBondContact O-CA 3.15Å; Q217-D221 WeakPolarHBondContact O-CB 3.34Å; Q217-D221 PolarHBondContact O-N 3.25Å; D221-K223 PolarHBondContact O-N 2.64Å; D221-K223 VanDerWaalsContact O-N 3.08Å; D221-S224 PolarHBondContact O-N 3.11Å; D221-S224 PolarHBondContact O-OG 3.14Å; D221-S224 PolarHBondContact OD1-OG 3.04Å; D221-S224 PolarHBondContact OD2-OG 2.87Å; D221-S224 VanDerWaalsContact OD2-OG 3.08Å; D221-T276 WeakPolarHBondContact CA-OG1 3.44Å; D221-T276 WeakPolarHBondContact OD1-CG2 3.16Å; D221-T276 PolarHBondContact OD1-OG1 3.1Å; D221-Y279 HydrophobicContact CB-CD1 3.97Å; D221-Y279 HydrophobicContact CB-CE1 4.49Å
222G83.6Confident91Very high0 Ų043.5 Ų43.50%022%0.22CC..Hα-helixtrans-59.8-24.6-175.500000114Q217 T218 S224 K225 F226Q217-G222 PolarHBondContact O-N 3.05Å; T218-G222 WeakPolarHBondContact O-CA 3.3Å; T218-G222 PolarHBondContact O-N 2.99Å; G222-S224 PolarHBondContact O-N 2.97Å; G222-K225 CarbonylContact O-C 3.59Å; G222-K225 PolarHBondContact O-N 2.85Å; G222-K225 VanDerWaalsContact O-N 3.16Å; G222-F226 WeakPolarHBondContact O-CA 3.47Å; G222-F226 WeakPolarHBondContact O-CB 3.39Å; G222-F226 PolarHBondContact O-N 2.99Å
223K88.5Confident91.8Very high103 Ų10342.2 Ų42.245%0.44821%0.209SC..Hα-helixtrans-58.5-45.7-178.6-170.8177.5176-178.10112.4D221 K225 A272 K273D221-K223 PolarHBondContact O-N 2.64Å; D221-K223 VanDerWaalsContact O-N 3.08Å; K223-K225 PolarHBondContact O-N 3.28Å; K223-A272 HydrophobicContact CB-CB 3.74Å; K223-A272 HydrophobicContact CG-CB 4.33Å; K223-K273 HydrophobicContact CD-CB 4.3Å
224S88.4Confident92.1Very high77 Ų7747.7 Ų47.754%0.53824%0.235SC..Hα-helixtrans-72.1-19.1-177.169.80000112.5D221 G222D221-S224 PolarHBondContact O-N 3.11Å; D221-S224 PolarHBondContact O-OG 3.14Å; D221-S224 PolarHBondContact OD1-OG 3.04Å; D221-S224 PolarHBondContact OD2-OG 2.87Å; D221-S224 VanDerWaalsContact OD2-OG 3.08Å; G222-S224 PolarHBondContact O-N 2.97Å
225K88.3Confident92.2Very high66 Ų6650.3 Ų50.329%0.28725%0.245SC..Hα-helixtrans-108.7-13.1-174.5-61.4-63.2-175.2173.70114.3G222 K223 L227 D228 L229G222-K225 CarbonylContact O-C 3.59Å; G222-K225 PolarHBondContact O-N 2.85Å; G222-K225 VanDerWaalsContact O-N 3.16Å; K223-K225 PolarHBondContact O-N 3.28Å; K225-L227 PolarHBondContact O-N 3.45Å; K225-D228 PolarHBondContact O-N 2.87Å; K225-L229 HydrophobicContact CB-CD1 3.66Å; K225-L229 HydrophobicContact CB-CG 3.99Å; K225-L229 WeakPolarHBondContact O-CB 3.46Å; K225-L229 WeakPolarHBondContact O-CG 3.47Å; K225-L229 PolarHBondContact O-N 3.45Å
226F90.9Very high92.4Very high34 Ų3450 Ų5015%0.14924%0.244CC..Hα-helixtrans-53-58.3-167.9-174.5-92.6000113.4G222 D228 L229 C230 F260 L263 F268G222-F226 WeakPolarHBondContact O-CA 3.47Å; G222-F226 WeakPolarHBondContact O-CB 3.39Å; G222-F226 PolarHBondContact O-N 2.99Å; F226-D228 PolarHBondContact O-N 2.92Å; F226-L229 PolarHBondContact O-N 3.29Å; F226-C230 WeakPolarHBondContact O-CB 3.39Å; F226-C230 PolarHBondContact O-N 3.36Å; F226-C230 PolarHBondContact O-SG 2.81Å; F226-F260 HydrophobicContact CB-CE1 4.31Å; F226-F260 HydrophobicContact CB-CZ 4.27Å; F226-F260 HydrophobicContact CD2-CD1 4.12Å; F226-F260 AromaticContact CD2-CE1 3.54Å; F226-F260 HydrophobicContact CD2-CE1 3.54Å; F226-F260 HydrophobicContact CD2-CE2 4.23Å; F226-F260 AromaticContact CD2-CZ 3.6Å; F226-F260 HydrophobicContact CD2-CZ 3.6Å; F226-F260 HydrophobicContact CE2-CD1 4.41Å; F226-F260 HydrophobicContact CE2-CE1 4.26Å; F226-F260 HydrophobicContact CE2-CZ 4.47Å; F226-F260 VanDerWaalsContact CE2-O 3.3Å; F226-F260 WeakPolarHBondContact CE2-O 3.44Å; F226-F260 HydrophobicContact CG-CE1 4.27Å; F226-F260 HydrophobicContact CG-CZ 4.4Å; F226-L263 HydrophobicContact CE2-CB 4.44Å; F226-F268 HydrophobicContact CB-CE1 4.06Å; F226-F268 AromaticContact CD2-CD1 3.74Å; F226-F268 HydrophobicContact CD2-CD1 3.74Å; F226-F268 AromaticContact CD2-CE1 3.36Å; F226-F268 HydrophobicContact CD2-CE1 3.36Å; F226-F268 HydrophobicContact CD2-CZ 4.05Å; F226-F268 AromaticContact CE2-CD1 3.97Å; F226-F268 HydrophobicContact CE2-CD1 3.97Å; F226-F268 HydrophobicContact CE2-CE1 4.03Å; F226-F268 HydrophobicContact CG-CD1 4.3Å; F226-F268 AromaticContact CG-CE1 3.9Å; F226-F268 HydrophobicContact CG-CE1 3.9Å
227L90.9Very high92.6Very high144 Ų14452.3 Ų52.375%0.75426%0.256SS*.Hα-helixtrans-63.7-41.6-177.6-67.7174.4000112.2K225 H231K225-L227 PolarHBondContact O-N 3.45Å; L227-H231 VanDerWaalsContact O-CB 3.26Å; L227-H231 WeakPolarHBondContact O-CB 3.14Å; L227-H231 PolarHBondContact O-N 3.17Å
228D92.8Very high92.8Very high69 Ų6954.3 Ų54.337%0.36927%0.268SS..Hα-helixtrans-66.2-46.5-179-175.349000111.6K225 F226 K232K225-D228 PolarHBondContact O-N 2.87Å; F226-D228 PolarHBondContact O-N 2.92Å; D228-K232 WeakPolarHBondContact O-CB 3.45Å; D228-K232 WeakPolarHBondContact O-CD 3.45Å; D228-K232 VanDerWaalsContact O-CG 3.25Å; D228-K232 WeakPolarHBondContact O-CG 3.32Å; D228-K232 PolarHBondContact O-N 3.43Å; D228-K232 WeakPolarHBondContact OD1-CE 3.44Å; D228-K232 IonicContact OD1-NZ 2.74Å; D228-K232 PolarHBondContact OD1-NZ 2.9Å; D228-K232 IonicContact OD2-NZ 3.99Å; D228-K232 PolarHBondContact OD2-NZ 2.9Å
229L93.7Very high92.8Very high2 Ų254.9 Ų54.91%0.0127%0.272CS..Hα-helixtrans-64.5-44.1177.9-70.5176.4000111.9L209 I213 T218 K225 F226 K232 L233 L257 F260L209-L229 HydrophobicContact CB-CD2 4.41Å; I213-L229 HydrophobicContact CD1-CD2 3.29Å; T218-L229 HydrophobicContact CG2-CD1 3.76Å; K225-L229 HydrophobicContact CB-CD1 3.66Å; K225-L229 HydrophobicContact CB-CG 3.99Å; K225-L229 WeakPolarHBondContact O-CB 3.46Å; K225-L229 WeakPolarHBondContact O-CG 3.47Å; K225-L229 PolarHBondContact O-N 3.45Å; F226-L229 PolarHBondContact O-N 3.29Å; L229-K232 CarbonylContact O-C 3.16Å; L229-K232 PolarHBondContact O-N 3.35Å; L229-K232 VanDerWaalsContact O-N 3.12Å; L229-L233 PolarHBondContact O-N 3.4Å; L229-L257 HydrophobicContact CD1-CD2 4.33Å; L229-F260 HydrophobicContact CD1-CE1 4.15Å
230C95.5Very high92.9Very high34 Ų3454.8 Ų54.823%0.2327%0.272CS..Hα-helixtrans-71.8-33.2-177.5-62.60000112.8F226 K232 C261F226-C230 WeakPolarHBondContact O-CB 3.39Å; F226-C230 PolarHBondContact O-N 3.36Å; F226-C230 PolarHBondContact O-SG 2.81Å; C230-K232 VanDerWaalsContact C-N 3.3Å; C230-C261 WeakPolarHBondContact CA-SG 3.49Å; C230-C261 HydrophobicContact CB-CB 3.79Å; C230-C261 WeakPolarHBondContact CB-SG 3.5Å; C230-C261 WeakPolarHBondContact SG-CA 3.33Å; C230-C261 WeakPolarHBondContact SG-CB 3.46Å; C230-C261 CovalentContact SG-SG 2.04Å; C230-C261 PolarHBondContact SG-SG 3.06Å
231H94.9Very high92.8Very high126 Ų12658.4 Ų58.458%0.58329%0.291SS*.Hα-helixtrans-65.2-35.5168.5-179.6-86.7000111.9L227 Y235L227-H231 VanDerWaalsContact O-CB 3.26Å; L227-H231 WeakPolarHBondContact O-CB 3.14Å; L227-H231 PolarHBondContact O-N 3.17Å; H231-Y235 AromaticContact CE1-CE2 3.95Å
232K95.8Very high92.8Very high48 Ų4861.8 Ų61.821%0.20932%0.32CS..Hα-helixtrans-82.2-14.8-179.7-72.4172178.9164.40114.8L209 D228 L229 C230 E234 Y235 F236L209-K232 HydrophobicContact CD2-CB 4.19Å; L209-K232 WeakPolarHBondContact O-CD 3.36Å; L209-K232 PolarHBondContact O-NZ 3.22Å; D228-K232 WeakPolarHBondContact O-CB 3.45Å; D228-K232 WeakPolarHBondContact O-CD 3.45Å; D228-K232 VanDerWaalsContact O-CG 3.25Å; D228-K232 WeakPolarHBondContact O-CG 3.32Å; D228-K232 PolarHBondContact O-N 3.43Å; D228-K232 WeakPolarHBondContact OD1-CE 3.44Å; D228-K232 IonicContact OD1-NZ 2.74Å; D228-K232 PolarHBondContact OD1-NZ 2.9Å; D228-K232 IonicContact OD2-NZ 3.99Å; D228-K232 PolarHBondContact OD2-NZ 2.9Å; L229-K232 CarbonylContact O-C 3.16Å; L229-K232 PolarHBondContact O-N 3.35Å; L229-K232 VanDerWaalsContact O-N 3.12Å; C230-K232 VanDerWaalsContact C-N 3.3Å; K232-E234 VanDerWaalsContact C-N 3.28Å; K232-E234 PolarHBondContact O-N 3.39Å; K232-Y235 WeakPolarHBondContact O-CB 3.5Å; K232-Y235 PolarHBondContact O-N 3.46Å; K232-Y235 VanDerWaalsContact O-N 3.11Å; K232-F236 PolarHBondContact O-N 2.86Å; K232-F236 VanDerWaalsContact O-N 3.07Å
233L96Very high93Very high17 Ų1763.2 Ų63.29%0.08933%0.327CS..Hα-helixtrans-58.8-38.6-177.3-179.157.6000112.2L229 Y235 F236 I237 L254 L257 C261L229-L233 PolarHBondContact O-N 3.4Å; L233-Y235 VanDerWaalsContact C-N 3.34Å; L233-Y235 PolarHBondContact O-N 2.72Å; L233-F236 HydrophobicContact CD1-CD1 4.36Å; L233-F236 WeakPolarHBondContact O-CB 3.37Å; L233-F236 PolarHBondContact O-N 3.05Å; L233-I237 HydrophobicContact CD1-CD1 4.27Å; L233-I237 HydrophobicContact CD1-CG1 4.34Å; L233-I237 HydrophobicContact CG-CD1 3.95Å; L233-I237 HydrophobicContact CG-CG1 4.48Å; L233-I237 WeakPolarHBondContact O-CG1 3.38Å; L233-I237 PolarHBondContact O-N 3.39Å; L233-L254 HydrophobicContact CD1-CD1 4.09Å; L233-L257 HydrophobicContact CD1-CB 3.77Å; L233-L257 HydrophobicContact CD1-CD1 4.31Å; L233-C261 HydrophobicContact CD2-CB 4.02Å
234E95.6Very high93Very high127 Ų12764.2 Ų64.259%0.59333%0.332SS*.Hα-helixtrans-63-40.4177-173.2179.5178.800112.1K232 F236 I237 N238K232-E234 VanDerWaalsContact C-N 3.28Å; K232-E234 PolarHBondContact O-N 3.39Å; E234-F236 VanDerWaalsContact C-N 3.31Å; E234-F236 PolarHBondContact O-N 2.94Å; E234-I237 PolarHBondContact O-N 3.26Å; E234-N238 WeakPolarHBondContact O-CB 3.31Å; E234-N238 VanDerWaalsContact O-CG 3.26Å; E234-N238 PolarHBondContact O-N 2.67Å; E234-N238 PolarHBondContact O-ND2 3.18Å
235Y95.7Very high93Very high136 Ų13660.6 Ų60.653%0.53331%0.306SS..Hα-helixtrans-66.3-36.3175.6-61.7-84.5000111.9H231 K232 L233 C239H231-Y235 AromaticContact CE1-CE2 3.95Å; K232-Y235 WeakPolarHBondContact O-CB 3.5Å; K232-Y235 PolarHBondContact O-N 3.46Å; K232-Y235 VanDerWaalsContact O-N 3.11Å; L233-Y235 VanDerWaalsContact C-N 3.34Å; L233-Y235 PolarHBondContact O-N 2.72Å; Y235-C239 VanDerWaalsContact O-CB 3.32Å; Y235-C239 WeakPolarHBondContact O-CB 3.02Å; Y235-C239 PolarHBondContact O-N 2.88Å
236F95.7Very high92.9Very high0 Ų060.6 Ų60.60%030%0.304CS..Hα-helixtrans-64.4-49.1174.6-178-106.4000111.2C205 V206 S208 L209 K232 L233 E234 N238 C239 T240 H250 L253 L254C205-F236 HydrophobicContact CB-CD2 3.89Å; C205-F236 HydrophobicContact CB-CE2 3.82Å; C205-F236 WeakPolarHBondContact O-CD2 3.22Å; V206-F236 HydrophobicContact CG2-CE2 4.31Å; S208-F236 VanDerWaalsContact OG-CA 3.29Å; S208-F236 WeakPolarHBondContact OG-CA 3.22Å; S208-F236 PolarHBondContact OG-N 3.12Å; L209-F236 HydrophobicContact CD1-CB 4.48Å; L209-F236 HydrophobicContact CD1-CD1 4.46Å; L209-F236 HydrophobicContact CD1-CD2 3.67Å; L209-F236 HydrophobicContact CD1-CE2 3.91Å; L209-F236 HydrophobicContact CD1-CG 3.96Å; L209-F236 HydrophobicContact CD1-CZ 4.4Å; L209-F236 HydrophobicContact CD2-CB 3.63Å; L209-F236 HydrophobicContact CD2-CD2 4.34Å; L209-F236 HydrophobicContact CD2-CG 4Å; L209-F236 HydrophobicContact CG-CB 3.96Å; L209-F236 HydrophobicContact CG-CD2 3.77Å; L209-F236 HydrophobicContact CG-CE2 4.48Å; L209-F236 HydrophobicContact CG-CG 3.95Å; K232-F236 PolarHBondContact O-N 2.86Å; K232-F236 VanDerWaalsContact O-N 3.07Å; L233-F236 HydrophobicContact CD1-CD1 4.36Å; L233-F236 WeakPolarHBondContact O-CB 3.37Å; L233-F236 PolarHBondContact O-N 3.05Å; E234-F236 VanDerWaalsContact C-N 3.31Å; E234-F236 PolarHBondContact O-N 2.94Å; F236-N238 PolarHBondContact O-N 3.2Å; F236-C239 WeakPolarHBondContact O-CB 3.45Å; F236-C239 PolarHBondContact O-N 3.31Å; F236-C239 VanDerWaalsContact O-N 3.13Å; F236-T240 HydrophobicContact CD1-CG2 4.42Å; F236-T240 HydrophobicContact CE1-CG2 4.1Å; F236-T240 HydrophobicContact CE2-CG2 4.21Å; F236-T240 HydrophobicContact CZ-CG2 4Å; F236-T240 WeakPolarHBondContact O-CG2 3.37Å; F236-T240 PolarHBondContact O-N 3.14Å; F236-T240 PolarHBondContact O-OG1 3Å; F236-H250 HydrophobicContact CZ-CB 4.36Å; F236-L253 HydrophobicContact CE1-CB 4.2Å; F236-L253 HydrophobicContact CZ-CB 3.94Å; F236-L253 HydrophobicContact CZ-CD1 4.37Å; F236-L254 HydrophobicContact CD1-CD1 4.43Å; F236-L254 HydrophobicContact CE1-CB 4.08Å
237I95.7Very high92.8Very high50 Ų5059.3 Ų59.326%0.25630%0.299SS..Hα-helixtrans-56.4-50.4175.9-69.6165.6000110.8L233 E234 C239 T240 D241 L254L233-I237 HydrophobicContact CD1-CD1 4.27Å; L233-I237 HydrophobicContact CD1-CG1 4.34Å; L233-I237 HydrophobicContact CG-CD1 3.95Å; L233-I237 HydrophobicContact CG-CG1 4.48Å; L233-I237 WeakPolarHBondContact O-CG1 3.38Å; L233-I237 PolarHBondContact O-N 3.39Å; E234-I237 PolarHBondContact O-N 3.26Å; I237-C239 VanDerWaalsContact C-N 3.26Å; I237-C239 PolarHBondContact O-N 2.82Å; I237-T240 WeakPolarHBondContact CA-OG1 3.44Å; I237-T240 PolarHBondContact O-N 2.9Å; I237-T240 VanDerWaalsContact O-N 3.15Å; I237-T240 PolarHBondContact O-OG1 3.36Å; I237-D241 WeakPolarHBondContact CG2-OD2 3.42Å; I237-D241 WeakPolarHBondContact O-CB 3.31Å; I237-D241 PolarHBondContact O-N 3.21Å; I237-L254 HydrophobicContact CD1-CD1 4.01Å; I237-L254 HydrophobicContact CG1-CD1 3.46Å; I237-L254 VanDerWaalsContact CG1-CD1 3.46Å
238N95.5Very high92.6Very high88 Ų8853.6 Ų53.647%0.47127%0.269SS..Hα-helixtrans-61.9-35.4179.4-73.4-30000112.2E234 F236 A242E234-N238 WeakPolarHBondContact O-CB 3.31Å; E234-N238 VanDerWaalsContact O-CG 3.26Å; E234-N238 PolarHBondContact O-N 2.67Å; E234-N238 PolarHBondContact O-ND2 3.18Å; F236-N238 PolarHBondContact O-N 3.2Å; N238-A242 VanDerWaalsContact O-CB 3.26Å; N238-A242 WeakPolarHBondContact O-CB 3.26Å; N238-A242 PolarHBondContact O-N 2.86Å
239C94.8Very high92.4Very high17 Ų1750.9 Ų50.912%0.11525%0.254CS..Hα-helixtrans-67.3-45.4174.7-178.70000111.6C205 Y235 F236 I237 A242 Q243C205-C239 WeakPolarHBondContact CA-SG 3.19Å; C205-C239 HydrophobicContact CB-CB 3.66Å; C205-C239 WeakPolarHBondContact CB-SG 3.35Å; C205-C239 WeakPolarHBondContact SG-CB 3.24Å; C205-C239 PolarHBondContact SG-O 2.03Å; C205-C239 VanDerWaalsContact SG-O 3.39Å; C205-C239 CovalentContact SG-SG 2.04Å; C205-C239 PolarHBondContact SG-SG 3.3Å; Y235-C239 VanDerWaalsContact O-CB 3.32Å; Y235-C239 WeakPolarHBondContact O-CB 3.02Å; Y235-C239 PolarHBondContact O-N 2.88Å; F236-C239 WeakPolarHBondContact O-CB 3.45Å; F236-C239 PolarHBondContact O-N 3.31Å; F236-C239 VanDerWaalsContact O-N 3.13Å; I237-C239 VanDerWaalsContact C-N 3.26Å; I237-C239 PolarHBondContact O-N 2.82Å; C239-A242 PolarHBondContact O-N 2.85Å; C239-Q243 WeakPolarHBondContact O-CG 3.39Å; C239-Q243 PolarHBondContact O-N 2.83Å; C239-Q243 PolarHBondContact O-NE2 3.41Å
240T93.1Very high92.3Very high3 Ų350.9 Ų50.92%0.01825%0.254CS..Hα-helixtrans-67.5-41.1-179.652.60000111.7Q188 C205 F236 I237 A242 Q243 H250Q188-T240 PolarHBondContact NE2-O 3.38Å; Q188-T240 PolarHBondContact OE1-O 3.15Å; C205-T240 HydrophobicContact CB-CG2 3.92Å; C205-T240 PolarHBondContact SG-N 2.88Å; F236-T240 HydrophobicContact CD1-CG2 4.42Å; F236-T240 HydrophobicContact CE1-CG2 4.1Å; F236-T240 HydrophobicContact CE2-CG2 4.21Å; F236-T240 HydrophobicContact CZ-CG2 4Å; F236-T240 WeakPolarHBondContact O-CG2 3.37Å; F236-T240 PolarHBondContact O-N 3.14Å; F236-T240 PolarHBondContact O-OG1 3Å; I237-T240 WeakPolarHBondContact CA-OG1 3.44Å; I237-T240 PolarHBondContact O-N 2.9Å; I237-T240 VanDerWaalsContact O-N 3.15Å; I237-T240 PolarHBondContact O-OG1 3.36Å; T240-A242 PolarHBondContact O-N 3.38Å; T240-Q243 WeakPolarHBondContact O-CB 3.4Å; T240-Q243 PolarHBondContact O-N 3.3Å; T240-Q243 VanDerWaalsContact O-N 3.12Å; T240-H250 HydrophobicContact CG2-CB 3.8Å
241D92.1Very high92.2Very high77 Ų7751.1 Ų51.141%0.41225%0.253SS..Hα-helixtrans-71.9-18.3178.6-72.7-14.2000113Q188 I237 R246Q188-D241 PolarHBondContact NE2-O 3.36Å; I237-D241 WeakPolarHBondContact CG2-OD2 3.42Å; I237-D241 WeakPolarHBondContact O-CB 3.31Å; I237-D241 PolarHBondContact O-N 3.21Å; D241-R246 IonicContact OD1-CZ 3.88Å; D241-R246 IonicContact OD1-NE 3.23Å; D241-R246 IonicContact OD1-NH2 2.72Å; D241-R246 PolarHBondContact OD1-NH2 3.43Å
242A91Very high92.1Very high80 Ų8045.1 Ų45.166%0.66123%0.226SC*.THydrogen-bonded Turntrans-84.5-10.3172.200000113.6N238 C239 T240N238-A242 VanDerWaalsContact O-CB 3.26Å; N238-A242 WeakPolarHBondContact O-CB 3.26Å; N238-A242 PolarHBondContact O-N 2.86Å; C239-A242 PolarHBondContact O-N 2.85Å; T240-A242 PolarHBondContact O-N 3.38Å
243Q89Confident92Very high29 Ų2942.9 Ų42.914%0.13622%0.216CC..SBendtrans-72.8162.2178.2-58.8-49.2-61.600111.8Q188 C239 T240 C245Q188-Q243 PolarHBondContact NE2-O 3.47Å; C239-Q243 WeakPolarHBondContact O-CG 3.39Å; C239-Q243 PolarHBondContact O-N 2.83Å; C239-Q243 PolarHBondContact O-NE2 3.41Å; T240-Q243 WeakPolarHBondContact O-CB 3.4Å; T240-Q243 PolarHBondContact O-N 3.3Å; T240-Q243 VanDerWaalsContact O-N 3.12Å; Q243-C245 VanDerWaalsContact CB-O 3.27Å; Q243-C245 WeakPolarHBondContact CB-O 3.22Å
244F87.3Confident92Very high125 Ų12543.3 Ų43.355%0.54822%0.218SC..SBendtrans-74.3-34.8172.5175.2-110.6000112.2P189 V194P189-F244 WeakPolarHBondContact CD-O 3.2Å; V194-F244 HydrophobicContact CG1-CE1 3.92Å
245C88Confident92Very high0 Ų039.1 Ų39.10%020%0.2CC..SBendtrans-138.5160178.963.80000109.9P189 C191 I202 Q243P189-C245 HydrophobicContact CG-CB 4.17Å; P189-C245 CarbonylContact O-C 3.51Å; P189-C245 WeakPolarHBondContact O-CA 3.28Å; P189-C245 WeakPolarHBondContact O-CB 3.25Å; C191-C245 WeakPolarHBondContact CA-SG 2.89Å; C191-C245 HydrophobicContact CB-CB 4Å; C191-C245 WeakPolarHBondContact CB-SG 3.32Å; C191-C245 WeakPolarHBondContact SG-CB 3.22Å; C191-C245 PolarHBondContact SG-O 3.11Å; C191-C245 CovalentContact SG-SG 2.03Å; C191-C245 PolarHBondContact SG-SG 2.84Å; I202-C245 VanDerWaalsContact CD1-SG 3.59Å; Q243-C245 VanDerWaalsContact CB-O 3.27Å; Q243-C245 WeakPolarHBondContact CB-O 3.22Å
246R87.2Confident92Very high67 Ų6732.7 Ų32.725%0.25318%0.175SC..BIsolated β-bridgetrans-98.8135.9175.5-64.6-172.2178.8-172.8-4.2110.8Q188 P189 S190 C191 D241 D251Q188-R246 HydrophobicContact CB-CG 3.91Å; Q188-R246 VanDerWaalsContact OE1-CG 3.23Å; P189-R246 PolarHBondContact O-N 3.06Å; S190-R246 CarbonylContact C-O 3.13Å; S190-R246 WeakPolarHBondContact CA-O 3.34Å; C191-R246 PolarHBondContact N-O 3.18Å; C191-R246 PolarHBondContact SG-O 2.99Å; C191-R246 VanDerWaalsContact SG-O 3.37Å; D241-R246 IonicContact OD1-CZ 3.88Å; D241-R246 IonicContact OD1-NE 3.23Å; D241-R246 IonicContact OD1-NH2 2.72Å; D241-R246 PolarHBondContact OD1-NH2 3.43Å; R246-D251 WeakPolarHBondContact CD-OD1 3.38Å; R246-D251 IonicContact NH1-OD1 2.81Å
247T88.3Confident92Very high6 Ų632.8 Ų32.84%0.03718%0.175CC..  trans-87.8151.5173.667.70000109.5C191 I202 E249 H250 D251 Y306C191-T247 HydrophobicContact CB-CG2 4.2Å; I202-T247 HydrophobicContact CD1-CG2 4.38Å; I202-T247 HydrophobicContact CG2-CG2 3.88Å; T247-E249 PolarHBondContact O-N 2.98Å; T247-H250 PolarHBondContact O-N 3.49Å; T247-H250 VanDerWaalsContact O-N 3.09Å; T247-H250 WeakPolarHBondContact OG1-CB 3.46Å; T247-H250 PolarHBondContact OG1-N 3.44Å; T247-H250 VanDerWaalsContact OG1-N 3.16Å; T247-H250 PolarHBondContact OG1-ND1 2.64Å; T247-H250 VanDerWaalsContact OG1-ND1 3.1Å; T247-D251 PolarHBondContact O-N 2.85Å; T247-D251 VanDerWaalsContact O-N 3.11Å; T247-Y306 HydrophobicContact CG2-CD2 4.21Å; T247-Y306 HydrophobicContact CG2-CE2 4.35Å
248L87.3Confident92Very high25 Ų2531.8 Ų31.813%0.13117%0.172CC..Hα-helixtrans-52.2-41.8174.3-169.568.7000112D251 S252 T315 H354 Y355L248-D251 PolarHBondContact O-N 3.35Å; L248-S252 WeakPolarHBondContact O-CB 3.44Å; L248-S252 PolarHBondContact O-N 3.16Å; L248-S252 PolarHBondContact O-OG 3.45Å; L248-T315 HydrophobicContact CD2-CG2 4.08Å; L248-H354 HydrophobicContact CD1-CB 3.8Å; L248-H354 WeakPolarHBondContact CD1-O 3.49Å; L248-H354 HydrophobicContact CG-CB 4.31Å; L248-Y355 HydrophobicContact CD2-CD1 3.61Å; L248-Y355 HydrophobicContact CD2-CE1 3.65Å; L248-Y355 HydrophobicContact CD2-CG 4.21Å; L248-Y355 HydrophobicContact CG-CE1 4.32Å
249E88.6Confident92Very high12 Ų1233.2 Ų33.26%0.05617%0.171CC..Hα-helixtrans-62.1-44.1179.1-173.9174.8148.500112.4T247 S252 L253 F300 Y306T247-E249 PolarHBondContact O-N 2.98Å; E249-S252 PolarHBondContact O-N 3.27Å; E249-L253 HydrophobicContact CG-CD1 4.31Å; E249-L253 WeakPolarHBondContact O-CB 2.77Å; E249-L253 PolarHBondContact O-N 3.35Å; E249-F300 HydrophobicContact CG-CD1 4.01Å; E249-F300 HydrophobicContact CG-CE1 3.74Å; E249-F300 WeakPolarHBondContact OE1-CD1 3.49Å; E249-Y306 PolarHBondContact OE1-OH 2.93Å; E249-Y306 PolarHBondContact OE2-OH 2.84Å
250H92.3Very high92Very high1 Ų132.4 Ų32.41%0.00517%0.166CC..Hα-helixtrans-63-47.1177.7-69.1158.8000111.8R203 C205 F236 T240 T247 S252 L253 L254 Y306R203-H250 PolarHBondContact O-CE1 3.33Å; C205-H250 PolarHBondContact N-NE2 2.05Å; C205-H250 VanDerWaalsContact N-NE2 3.12Å; F236-H250 HydrophobicContact CZ-CB 4.36Å; T240-H250 HydrophobicContact CG2-CB 3.8Å; T247-H250 PolarHBondContact O-N 3.49Å; T247-H250 VanDerWaalsContact O-N 3.09Å; T247-H250 WeakPolarHBondContact OG1-CB 3.46Å; T247-H250 PolarHBondContact OG1-N 3.44Å; T247-H250 VanDerWaalsContact OG1-N 3.16Å; T247-H250 PolarHBondContact OG1-ND1 2.64Å; T247-H250 VanDerWaalsContact OG1-ND1 3.1Å; H250-S252 PolarHBondContact O-N 2.98Å; H250-L253 PolarHBondContact O-N 2.89Å; H250-L254 VanDerWaalsContact O-CB 3.26Å; H250-L254 WeakPolarHBondContact O-CB 3.02Å; H250-L254 PolarHBondContact O-N 3.28Å; H250-Y306 AromaticContact CE1-CE2 3.87Å; H250-Y306 AromaticContact NE2-CE2 3.62Å
251D92.3Very high92.1Very high40 Ų4034 Ų3421%0.21418%0.176CC..Hα-helixtrans-63.8-41.9179.5-75-29.8000111.7R246 T247 L248 L254 D255R246-D251 WeakPolarHBondContact CD-OD1 3.38Å; R246-D251 IonicContact NH1-OD1 2.81Å; T247-D251 PolarHBondContact O-N 2.85Å; T247-D251 VanDerWaalsContact O-N 3.11Å; L248-D251 PolarHBondContact O-N 3.35Å; D251-L254 PolarHBondContact O-N 3.43Å; D251-D255 PolarHBondContact O-N 2.94Å
252S92.8Very high92.2Very high0 Ų038.6 Ų38.60%019%0.193CC..Hα-helixtrans-62-46.7178.1-52.50000111.8L248 E249 H250 L254 M256 Y351 H354 Y355L248-S252 WeakPolarHBondContact O-CB 3.44Å; L248-S252 PolarHBondContact O-N 3.16Å; L248-S252 PolarHBondContact O-OG 3.45Å; E249-S252 PolarHBondContact O-N 3.27Å; H250-S252 PolarHBondContact O-N 2.98Å; S252-L254 VanDerWaalsContact C-N 3.35Å; S252-M256 PolarHBondContact O-N 2.79Å; S252-Y351 VanDerWaalsContact CB-CE2 3.49Å; S252-Y351 WeakPolarHBondContact CB-O 3.5Å; S252-H354 WeakPolarHBondContact OG-CB 3.49Å; S252-Y355 WeakPolarHBondContact OG-CE2 3.27Å
253L94.2Very high92.3Very high0 Ų036.8 Ų36.80%017%0.172CC..Hα-helixtrans-65.1-40.4176.7-83.9173.2000111.6V206 I215 F236 E249 H250 M256 L257 F300 Y351V206-L253 HydrophobicContact CG1-CD1 4.43Å; V206-L253 HydrophobicContact CG2-CD1 3.56Å; I215-L253 HydrophobicContact CD1-CD2 3.78Å; F236-L253 HydrophobicContact CE1-CB 4.2Å; F236-L253 HydrophobicContact CZ-CB 3.94Å; F236-L253 HydrophobicContact CZ-CD1 4.37Å; E249-L253 HydrophobicContact CG-CD1 4.31Å; E249-L253 WeakPolarHBondContact O-CB 2.77Å; E249-L253 PolarHBondContact O-N 3.35Å; H250-L253 PolarHBondContact O-N 2.89Å; L253-M256 HydrophobicContact CD2-CE 3.9Å; L253-M256 PolarHBondContact O-N 3.42Å; L253-L257 VanDerWaalsContact O-CB 3.28Å; L253-L257 WeakPolarHBondContact O-CB 3.37Å; L253-L257 WeakPolarHBondContact O-CG 3.15Å; L253-L257 PolarHBondContact O-N 2.77Å; L253-F300 HydrophobicContact CD1-CD1 4.34Å; L253-F300 HydrophobicContact CD1-CD2 4.34Å; L253-F300 HydrophobicContact CD1-CE1 4.03Å; L253-F300 HydrophobicContact CD1-CE2 4.09Å; L253-F300 HydrophobicContact CD1-CG 4.44Å; L253-F300 HydrophobicContact CD1-CZ 3.89Å; L253-F300 HydrophobicContact CD2-CD2 4.45Å; L253-F300 HydrophobicContact CD2-CE2 3.6Å; L253-F300 HydrophobicContact CD2-CZ 3.63Å; L253-F300 HydrophobicContact CG-CE1 4.33Å; L253-F300 HydrophobicContact CG-CE2 4.22Å; L253-F300 HydrophobicContact CG-CZ 3.85Å; L253-Y351 HydrophobicContact CD2-CD2 4.47Å; L253-Y351 HydrophobicContact CD2-CE2 4.31Å; L253-Y351 HydrophobicContact CG-CE2 4.16Å
254L95.3Very high92.1Very high27 Ų2740.9 Ų40.914%0.14119%0.191CC..Hα-helixtrans-62-46.5179.9-179.157.9000111.9L233 F236 I237 H250 D251 S252 S258L233-L254 HydrophobicContact CD1-CD1 4.09Å; F236-L254 HydrophobicContact CD1-CD1 4.43Å; F236-L254 HydrophobicContact CE1-CB 4.08Å; I237-L254 HydrophobicContact CD1-CD1 4.01Å; I237-L254 HydrophobicContact CG1-CD1 3.46Å; I237-L254 VanDerWaalsContact CG1-CD1 3.46Å; H250-L254 VanDerWaalsContact O-CB 3.26Å; H250-L254 WeakPolarHBondContact O-CB 3.02Å; H250-L254 PolarHBondContact O-N 3.28Å; D251-L254 PolarHBondContact O-N 3.43Å; S252-L254 VanDerWaalsContact C-N 3.35Å; L254-S258 WeakPolarHBondContact O-CB 2.98Å; L254-S258 PolarHBondContact O-N 3.03Å; L254-S258 PolarHBondContact O-OG 3.28Å
255D95Very high91.8Very high39 Ų3937.5 Ų37.521%0.20919%0.186CC..Hα-helixtrans-65.1-44.8179.2-168.529.7000111.2D251 S258 R259 Q353D251-D255 PolarHBondContact O-N 2.94Å; D255-S258 PolarHBondContact O-N 3.01Å; D255-R259 WeakPolarHBondContact O-CG 3.29Å; D255-R259 PolarHBondContact O-N 3.36Å; D255-R259 VanDerWaalsContact O-N 3.1Å; D255-R259 IonicContact OD1-CZ 3.81Å; D255-R259 IonicContact OD1-NE 3.58Å; D255-R259 PolarHBondContact OD1-NE 3.13Å; D255-R259 IonicContact OD1-NH2 2.67Å; D255-R259 IonicContact OD2-CZ 3.27Å; D255-R259 IonicContact OD2-NE 2.92Å; D255-R259 PolarHBondContact OD2-NE 2.71Å; D255-R259 IonicContact OD2-NH2 2.75Å; D255-R259 PolarHBondContact OD2-NH2 3.21Å; D255-Q353 PolarHBondContact OD2-NE2 3.21Å
256M95.9Very high91.2Very high1 Ų141.4 Ų41.41%0.00522%0.218CC..Hα-helixtrans-59.4-51.7176.3-176.8-170.973.700112.1I215 T218 L219 S252 L253 R259 F260 L347I215-M256 HydrophobicContact CD1-CE 3.58Å; I215-M256 HydrophobicContact CD1-SD 3.72Å; I215-M256 HydrophobicContact CG2-SD 4.48Å; T218-M256 HydrophobicContact CG2-CE 3.96Å; L219-M256 HydrophobicContact CD2-CG 4.45Å; L219-M256 HydrophobicContact CD2-SD 3.94Å; L219-M256 HydrophobicContact CG-SD 4.33Å; S252-M256 PolarHBondContact O-N 2.79Å; L253-M256 HydrophobicContact CD2-CE 3.9Å; L253-M256 PolarHBondContact O-N 3.42Å; M256-R259 PolarHBondContact O-N 3.16Å; M256-F260 WeakPolarHBondContact O-CB 3.36Å; M256-F260 PolarHBondContact O-N 2.9Å; M256-L347 HydrophobicContact CG-CB 4.42Å; M256-L347 WeakPolarHBondContact CG-O 3.45Å
257L96.1Very high90.7Very high1 Ų141.1 Ų41.11%0.00522%0.224CC..Hα-helixtrans-68.7-36.1-177.1-68.8171.9000112L209 T218 L229 L233 L253 R259 F260 C261L209-L257 HydrophobicContact CD1-CD1 3.48Å; L209-L257 VanDerWaalsContact CD1-CD1 3.48Å; L209-L257 HydrophobicContact CD2-CD1 3.92Å; L209-L257 HydrophobicContact CG-CD1 4.36Å; T218-L257 HydrophobicContact CG2-CD2 4.25Å; L229-L257 HydrophobicContact CD1-CD2 4.33Å; L233-L257 HydrophobicContact CD1-CB 3.77Å; L233-L257 HydrophobicContact CD1-CD1 4.31Å; L253-L257 VanDerWaalsContact O-CB 3.28Å; L253-L257 WeakPolarHBondContact O-CB 3.37Å; L253-L257 WeakPolarHBondContact O-CG 3.15Å; L253-L257 PolarHBondContact O-N 2.77Å; L257-R259 VanDerWaalsContact C-N 3.29Å; L257-R259 PolarHBondContact O-N 3.4Å; L257-F260 PolarHBondContact O-N 3.2Å; L257-C261 WeakPolarHBondContact O-CB 3.3Å; L257-C261 PolarHBondContact O-N 3.21Å; L257-C261 PolarHBondContact O-SG 2.71Å; L257-C261 VanDerWaalsContact O-SG 3.33Å
258S96.2Very high90.7Very high29 Ų2941.2 Ų41.220%0.20322%0.224CC..Hα-helixtrans-61.5-39174.6-65.30000111.8L254 D255 K262L254-S258 WeakPolarHBondContact O-CB 2.98Å; L254-S258 PolarHBondContact O-N 3.03Å; L254-S258 PolarHBondContact O-OG 3.28Å; D255-S258 PolarHBondContact O-N 3.01Å; S258-K262 WeakPolarHBondContact O-CD 3.2Å; S258-K262 WeakPolarHBondContact O-CG 3.46Å; S258-K262 PolarHBondContact O-N 3.09Å
259R95.4Very high90.7Very high118 Ų11843.8 Ų43.845%0.44524%0.238SC..Hα-helixtrans-72.1-44.6174.6-69.2169.8-170.9-111.77.1111.6D255 M256 L257 C261 K262 L263 L347D255-R259 WeakPolarHBondContact O-CG 3.29Å; D255-R259 PolarHBondContact O-N 3.36Å; D255-R259 VanDerWaalsContact O-N 3.1Å; D255-R259 IonicContact OD1-CZ 3.81Å; D255-R259 IonicContact OD1-NE 3.58Å; D255-R259 PolarHBondContact OD1-NE 3.13Å; D255-R259 IonicContact OD1-NH2 2.67Å; D255-R259 IonicContact OD2-CZ 3.27Å; D255-R259 IonicContact OD2-NE 2.92Å; D255-R259 PolarHBondContact OD2-NE 2.71Å; D255-R259 IonicContact OD2-NH2 2.75Å; D255-R259 PolarHBondContact OD2-NH2 3.21Å; M256-R259 PolarHBondContact O-N 3.16Å; L257-R259 VanDerWaalsContact C-N 3.29Å; L257-R259 PolarHBondContact O-N 3.4Å; R259-C261 VanDerWaalsContact C-N 3.32Å; R259-C261 PolarHBondContact O-N 2.92Å; R259-K262 PolarHBondContact O-N 3.34Å; R259-K262 VanDerWaalsContact O-N 3.12Å; R259-L263 PolarHBondContact O-N 2.8Å; R259-L347 HydrophobicContact CB-CD2 3.85Å
260F94.9Very high90.6Very high1 Ų147.3 Ų47.30%0.00426%0.262CS..Hα-helixtrans-55.7-46.2177.1-177.9-106.7000111.6F226 L229 M256 L257 K262 L263 F268 L347F226-F260 HydrophobicContact CB-CE1 4.31Å; F226-F260 HydrophobicContact CB-CZ 4.27Å; F226-F260 HydrophobicContact CD2-CD1 4.12Å; F226-F260 AromaticContact CD2-CE1 3.54Å; F226-F260 HydrophobicContact CD2-CE1 3.54Å; F226-F260 HydrophobicContact CD2-CE2 4.23Å; F226-F260 AromaticContact CD2-CZ 3.6Å; F226-F260 HydrophobicContact CD2-CZ 3.6Å; F226-F260 HydrophobicContact CE2-CD1 4.41Å; F226-F260 HydrophobicContact CE2-CE1 4.26Å; F226-F260 HydrophobicContact CE2-CZ 4.47Å; F226-F260 VanDerWaalsContact CE2-O 3.3Å; F226-F260 WeakPolarHBondContact CE2-O 3.44Å; F226-F260 HydrophobicContact CG-CE1 4.27Å; F226-F260 HydrophobicContact CG-CZ 4.4Å; L229-F260 HydrophobicContact CD1-CE1 4.15Å; M256-F260 WeakPolarHBondContact O-CB 3.36Å; M256-F260 PolarHBondContact O-N 2.9Å; L257-F260 PolarHBondContact O-N 3.2Å; F260-K262 VanDerWaalsContact C-N 3.27Å; F260-K262 PolarHBondContact O-N 3.37Å; F260-L263 HydrophobicContact CD2-CD1 4.07Å; F260-L263 VanDerWaalsContact O-CB 3.31Å; F260-L263 WeakPolarHBondContact O-CB 3.25Å; F260-L263 WeakPolarHBondContact O-CD1 3.4Å; F260-L263 WeakPolarHBondContact O-CG 3.43Å; F260-L263 PolarHBondContact O-N 2.03Å; F260-F268 HydrophobicContact CD2-CZ 4.47Å; F260-F268 HydrophobicContact CE2-CE1 4.35Å; F260-F268 AromaticContact CE2-CE2 3.87Å; F260-F268 HydrophobicContact CE2-CE2 3.87Å; F260-F268 AromaticContact CE2-CZ 3.49Å; F260-F268 HydrophobicContact CE2-CZ 3.49Å; F260-F268 VanDerWaalsContact CE2-CZ 3.49Å; F260-F268 HydrophobicContact CZ-CE1 4.35Å; F260-F268 AromaticContact CZ-CZ 3.84Å; F260-F268 HydrophobicContact CZ-CZ 3.84Å; F260-L347 HydrophobicContact CB-CD2 4Å; F260-L347 HydrophobicContact CD2-CD1 3.88Å
261C95.6Very high90.5Very high35 Ų3548.5 Ų48.524%0.23627%0.268CS..THydrogen-bonded Turntrans-77.3-8.1-179.3-65.70000115C230 L233 L257 R259C230-C261 WeakPolarHBondContact CA-SG 3.49Å; C230-C261 HydrophobicContact CB-CB 3.79Å; C230-C261 WeakPolarHBondContact CB-SG 3.5Å; C230-C261 WeakPolarHBondContact SG-CA 3.33Å; C230-C261 WeakPolarHBondContact SG-CB 3.46Å; C230-C261 CovalentContact SG-SG 2.04Å; C230-C261 PolarHBondContact SG-SG 3.06Å; L233-C261 HydrophobicContact CD2-CB 4.02Å; L257-C261 WeakPolarHBondContact O-CB 3.3Å; L257-C261 PolarHBondContact O-N 3.21Å; L257-C261 PolarHBondContact O-SG 2.71Å; L257-C261 VanDerWaalsContact O-SG 3.33Å; R259-C261 VanDerWaalsContact C-N 3.32Å; R259-C261 PolarHBondContact O-N 2.92Å
262K94.3Very high90.5Very high174 Ų17446.6 Ų46.676%0.75726%0.258SS*.THydrogen-bonded Turntrans-89.8-4.5170.2-74.9172.3-176.2179.80112.8S258 R259 F260 E264S258-K262 WeakPolarHBondContact O-CD 3.2Å; S258-K262 WeakPolarHBondContact O-CG 3.46Å; S258-K262 PolarHBondContact O-N 3.09Å; R259-K262 PolarHBondContact O-N 3.34Å; R259-K262 VanDerWaalsContact O-N 3.12Å; F260-K262 VanDerWaalsContact C-N 3.27Å; F260-K262 PolarHBondContact O-N 3.37Å; K262-E264 PolarHBondContact O-N 3.01Å
263L91.3Very high90.5Very high42 Ų4252.1 Ų52.122%0.2228%0.282CS..SBendtrans-68.6129.9178.8-61173.3000110.9F226 R259 F260 A265 F268 L343 L347F226-L263 HydrophobicContact CE2-CB 4.44Å; R259-L263 PolarHBondContact O-N 2.8Å; F260-L263 HydrophobicContact CD2-CD1 4.07Å; F260-L263 VanDerWaalsContact O-CB 3.31Å; F260-L263 WeakPolarHBondContact O-CB 3.25Å; F260-L263 WeakPolarHBondContact O-CD1 3.4Å; F260-L263 WeakPolarHBondContact O-CG 3.43Å; F260-L263 PolarHBondContact O-N 2.03Å; L263-A265 PolarHBondContact O-N 3.3Å; L263-F268 HydrophobicContact CB-CB 4.15Å; L263-F268 HydrophobicContact CB-CG 4.38Å; L263-F268 HydrophobicContact CD1-CD2 3.66Å; L263-F268 HydrophobicContact CD1-CE2 3.97Å; L263-F268 HydrophobicContact CD1-CG 4.29Å; L263-L343 HydrophobicContact CD1-CD1 3.94Å; L263-L343 HydrophobicContact CD1-CD2 4.11Å; L263-L343 HydrophobicContact CD1-CG 4.48Å; L263-L343 HydrophobicContact CD2-CD1 3.59Å; L263-L343 HydrophobicContact CG-CD1 4.43Å; L263-L347 HydrophobicContact CD1-CD1 4.27Å
264E85.8Confident90.5Very high116 Ų11653.5 Ų53.554%0.54229%0.291SS..  trans-66.8125.5174.9-64.1178.2164.500110.5K262 A266 T267 F268 R417K262-E264 PolarHBondContact O-N 3.01Å; E264-A266 PolarHBondContact O-N 2.96Å; E264-A266 VanDerWaalsContact O-N 3.14Å; E264-T267 PolarHBondContact O-N 2.86Å; E264-F268 WeakPolarHBondContact O-CB 3.15Å; E264-F268 PolarHBondContact O-N 3.21Å; E264-R417 IonicContact OE2-CZ 3.33Å; E264-R417 IonicContact OE2-NH1 3.06Å; E264-R417 IonicContact OE2-NH2 2.95Å; E264-R417 PolarHBondContact OE2-NH2 3.03Å
265A80.7Confident90.5Very high53 Ų5352.3 Ų52.344%0.43829%0.285SS..Hα-helixtrans-54.1-37.9-177.600000113.2L263 T267 F268 N269L263-A265 PolarHBondContact O-N 3.3Å; A265-T267 VanDerWaalsContact C-N 3.32Å; A265-T267 PolarHBondContact O-N 3.49Å; A265-F268 PolarHBondContact O-N 3.16Å; A265-N269 WeakPolarHBondContact O-CB 3.28Å; A265-N269 PolarHBondContact O-N 3.49Å; A265-N269 PolarHBondContact O-ND2 2.89Å
266A75.4Confident90.5Very high83 Ų8351.5 Ų51.569%0.68628%0.282SS*.Hα-helixtrans-61.6-37.917900000112.9E264 P270E264-A266 PolarHBondContact O-N 2.96Å; E264-A266 VanDerWaalsContact O-N 3.14Å; A266-P270 WeakPolarHBondContact O-CD 3.41Å
267T77.3Confident90.5Very high61 Ų6155.9 Ų55.937%0.37430%0.302SS..Hα-helixtrans-85.7-36.1-180-47.90000111.4E264 A265 R417E264-T267 PolarHBondContact O-N 2.86Å; A265-T267 VanDerWaalsContact C-N 3.32Å; A265-T267 PolarHBondContact O-N 3.49Å; T267-R417 PolarHBondContact OG1-NH2 3.18Å
268F88Confident90.4Very high8 Ų856.3 Ų56.34%0.03530%0.304CS..Hα-helixtrans-74.3-40.7-177.3179.1-115000112.8F226 F260 L263 E264 A265 I271 A272 L343F226-F268 HydrophobicContact CB-CE1 4.06Å; F226-F268 AromaticContact CD2-CD1 3.74Å; F226-F268 HydrophobicContact CD2-CD1 3.74Å; F226-F268 AromaticContact CD2-CE1 3.36Å; F226-F268 HydrophobicContact CD2-CE1 3.36Å; F226-F268 HydrophobicContact CD2-CZ 4.05Å; F226-F268 AromaticContact CE2-CD1 3.97Å; F226-F268 HydrophobicContact CE2-CD1 3.97Å; F226-F268 HydrophobicContact CE2-CE1 4.03Å; F226-F268 HydrophobicContact CG-CD1 4.3Å; F226-F268 AromaticContact CG-CE1 3.9Å; F226-F268 HydrophobicContact CG-CE1 3.9Å; F260-F268 HydrophobicContact CD2-CZ 4.47Å; F260-F268 HydrophobicContact CE2-CE1 4.35Å; F260-F268 AromaticContact CE2-CE2 3.87Å; F260-F268 HydrophobicContact CE2-CE2 3.87Å; F260-F268 AromaticContact CE2-CZ 3.49Å; F260-F268 HydrophobicContact CE2-CZ 3.49Å; F260-F268 VanDerWaalsContact CE2-CZ 3.49Å; F260-F268 HydrophobicContact CZ-CE1 4.35Å; F260-F268 AromaticContact CZ-CZ 3.84Å; F260-F268 HydrophobicContact CZ-CZ 3.84Å; L263-F268 HydrophobicContact CB-CB 4.15Å; L263-F268 HydrophobicContact CB-CG 4.38Å; L263-F268 HydrophobicContact CD1-CD2 3.66Å; L263-F268 HydrophobicContact CD1-CE2 3.97Å; L263-F268 HydrophobicContact CD1-CG 4.29Å; E264-F268 WeakPolarHBondContact O-CB 3.15Å; E264-F268 PolarHBondContact O-N 3.21Å; A265-F268 PolarHBondContact O-N 3.16Å; F268-I271 PolarHBondContact O-N 2.89Å; F268-A272 HydrophobicContact CD1-CB 3.99Å; F268-A272 HydrophobicContact CD2-CB 4.12Å; F268-A272 HydrophobicContact CE1-CB 3.59Å; F268-A272 HydrophobicContact CE2-CB 3.75Å; F268-A272 HydrophobicContact CG-CB 4.25Å; F268-A272 HydrophobicContact CZ-CB 3.46Å; F268-A272 VanDerWaalsContact CZ-CB 3.46Å; F268-A272 VanDerWaalsContact O-CB 3.25Å; F268-A272 WeakPolarHBondContact O-CB 3.33Å; F268-A272 PolarHBondContact O-N 3.33Å; F268-L343 HydrophobicContact CD2-CD2 3.98Å; F268-L343 HydrophobicContact CE2-CD2 4.41Å
269N88Confident90.4Very high78 Ų7855.2 Ų55.242%0.41730%0.295SS..Hα-helixtrans-57.4-44.7-171.6-78.1-19.3000115A265 K273A265-N269 WeakPolarHBondContact O-CB 3.28Å; A265-N269 PolarHBondContact O-N 3.49Å; A265-N269 PolarHBondContact O-ND2 2.89Å; N269-K273 WeakPolarHBondContact O-CB 3.38Å; N269-K273 PolarHBondContact O-N 2.67Å
270P85.4Confident90.3Very high87 Ų8753.4 Ų53.457%0.56529%0.292SS*.Hα-helixtrans-63.8-44.5176.3-21.734000112.2A266 C274A266-P270 WeakPolarHBondContact O-CD 3.41Å; P270-C274 PolarHBondContact O-N 3.37Å
271I90.2Very high90.3Very high26 Ų2659.2 Ų59.213%0.13331%0.314CS..Hα-helixtrans-61.2-53.1177.9-68.5173.1000109.6F268 K273 C274 T275 A340 L343F268-I271 PolarHBondContact O-N 2.89Å; I271-K273 VanDerWaalsContact C-N 3.29Å; I271-K273 PolarHBondContact O-N 2.75Å; I271-C274 PolarHBondContact O-N 3.3Å; I271-T275 HydrophobicContact CG2-CG2 4Å; I271-T275 WeakPolarHBondContact O-CG2 3.27Å; I271-T275 PolarHBondContact O-N 3.22Å; I271-T275 PolarHBondContact O-OG1 2.74Å; I271-A340 HydrophobicContact CG2-CB 3.68Å; I271-L343 HydrophobicContact CD1-CD2 4.2Å; I271-L343 HydrophobicContact CG2-CD2 4.06Å
272A92.6Very high90.3Very high0 Ų057.8 Ų57.80%030%0.303CS..Hα-helixtrans-61.3-36.8-175.600000112.3K223 F268 T275 T276K223-A272 HydrophobicContact CB-CB 3.74Å; K223-A272 HydrophobicContact CG-CB 4.33Å; F268-A272 HydrophobicContact CD1-CB 3.99Å; F268-A272 HydrophobicContact CD2-CB 4.12Å; F268-A272 HydrophobicContact CE1-CB 3.59Å; F268-A272 HydrophobicContact CE2-CB 3.75Å; F268-A272 HydrophobicContact CG-CB 4.25Å; F268-A272 HydrophobicContact CZ-CB 3.46Å; F268-A272 VanDerWaalsContact CZ-CB 3.46Å; F268-A272 VanDerWaalsContact O-CB 3.25Å; F268-A272 WeakPolarHBondContact O-CB 3.33Å; F268-A272 PolarHBondContact O-N 3.33Å; A272-T275 WeakPolarHBondContact CA-OG1 3.39Å; A272-T275 PolarHBondContact O-OG1 2.88Å; A272-T276 WeakPolarHBondContact O-CB 3.42Å; A272-T276 PolarHBondContact O-N 3.29Å; A272-T276 PolarHBondContact O-OG1 3.03Å; A272-T276 VanDerWaalsContact O-OG1 3.11Å
273K92.3Very high90.2Very high115 Ų11554.2 Ų54.250%0.529%0.29SS..Hα-helixtrans-59.5-48.6173.2-176-175.9175.2-174.60110.9K223 N269 I271 E277K223-K273 HydrophobicContact CD-CB 4.3Å; N269-K273 WeakPolarHBondContact O-CB 3.38Å; N269-K273 PolarHBondContact O-N 2.67Å; I271-K273 VanDerWaalsContact C-N 3.29Å; I271-K273 PolarHBondContact O-N 2.75Å; K273-E277 WeakPolarHBondContact CE-OE1 3.47Å; K273-E277 PolarHBondContact O-N 2.71Å
274C94.4Very high90.3Very high29 Ų2959.8 Ų59.820%0.19631%0.314CS..Hα-helixtrans-68.7-44.1-179.2-172.90000112.4P270 I271 T276 E277 F278 C336P270-C274 PolarHBondContact O-N 3.37Å; I271-C274 PolarHBondContact O-N 3.3Å; C274-T276 VanDerWaalsContact C-N 3.27Å; C274-T276 PolarHBondContact O-N 2.99Å; C274-E277 PolarHBondContact O-N 2.81Å; C274-F278 WeakPolarHBondContact O-CB 3.49Å; C274-F278 PolarHBondContact O-N 3.4Å; C274-C336 HydrophobicContact CB-CB 3.74Å; C274-C336 WeakPolarHBondContact CB-SG 3.07Å; C274-C336 PolarHBondContact O-SG 3.21Å; C274-C336 VanDerWaalsContact O-SG 3.34Å; C274-C336 WeakPolarHBondContact SG-CA 3.34Å; C274-C336 WeakPolarHBondContact SG-CB 3.26Å; C274-C336 CovalentContact SG-SG 2.05Å; C274-C336 PolarHBondContact SG-SG 2.03Å
275T95.7Very high90.6Very high3 Ų356.9 Ų56.92%0.01830%0.299CS..Hα-helixtrans-62.7-35.4-179.860.20000111.7L220 I271 A272 F278 Y279 L332 A340L220-T275 CarbonylContact O-C 3.19Å; L220-T275 VanDerWaalsContact O-CB 3.24Å; L220-T275 WeakPolarHBondContact O-CB 3.1Å; L220-T275 PolarHBondContact O-OG1 2.86Å; I271-T275 HydrophobicContact CG2-CG2 4Å; I271-T275 WeakPolarHBondContact O-CG2 3.27Å; I271-T275 PolarHBondContact O-N 3.22Å; I271-T275 PolarHBondContact O-OG1 2.74Å; A272-T275 WeakPolarHBondContact CA-OG1 3.39Å; A272-T275 PolarHBondContact O-OG1 2.88Å; T275-F278 PolarHBondContact O-N 3.38Å; T275-Y279 WeakPolarHBondContact O-CB 3.08Å; T275-Y279 PolarHBondContact O-N 2.88Å; T275-L332 HydrophobicContact CG2-CD1 4.17Å; T275-A340 HydrophobicContact CG2-CB 4.08Å
276T95.4Very high91.2Very high22 Ų2261.6 Ų61.614%0.13531%0.309CS..Hα-helixtrans-62.3-50.2174.8-73.50000110.3L220 D221 A272 C274 F278 Y279 H280L220-T276 VanDerWaalsContact O-CA 3.26Å; L220-T276 WeakPolarHBondContact O-CA 3.18Å; L220-T276 PolarHBondContact O-N 3.4Å; D221-T276 WeakPolarHBondContact CA-OG1 3.44Å; D221-T276 WeakPolarHBondContact OD1-CG2 3.16Å; D221-T276 PolarHBondContact OD1-OG1 3.1Å; A272-T276 WeakPolarHBondContact O-CB 3.42Å; A272-T276 PolarHBondContact O-N 3.29Å; A272-T276 PolarHBondContact O-OG1 3.03Å; A272-T276 VanDerWaalsContact O-OG1 3.11Å; C274-T276 VanDerWaalsContact C-N 3.27Å; C274-T276 PolarHBondContact O-N 2.99Å; T276-F278 VanDerWaalsContact C-N 3.29Å; T276-F278 PolarHBondContact O-N 3.34Å; T276-Y279 PolarHBondContact O-N 3.09Å; T276-H280 PolarHBondContact O-CD2 3.46Å; T276-H280 PolarHBondContact O-N 3.21Å; T276-H280 VanDerWaalsContact O-N 3.12Å
277E95Very high92Very high93 Ų9361.6 Ų61.644%0.43531%0.309SS..Hα-helixtrans-61.8-38.5178.2-70.4177.3-162.400112K273 C274 R281K273-E277 WeakPolarHBondContact CE-OE1 3.47Å; K273-E277 PolarHBondContact O-N 2.71Å; C274-E277 PolarHBondContact O-N 2.81Å; E277-R281 WeakPolarHBondContact O-CB 3.33Å; E277-R281 PolarHBondContact O-N 3.09Å
278F95.2Very high92.7Very high9 Ų965.4 Ų65.44%0.03933%0.327CS..Hα-helixtrans-62.8-47.3174.5178.6-91.7000111.4C274 T275 T276 H280 R281 E282 M328 R331 L332 R335C274-F278 WeakPolarHBondContact O-CB 3.49Å; C274-F278 PolarHBondContact O-N 3.4Å; T275-F278 PolarHBondContact O-N 3.38Å; T276-F278 VanDerWaalsContact C-N 3.29Å; T276-F278 PolarHBondContact O-N 3.34Å; F278-H280 PolarHBondContact O-N 2.97Å; F278-R281 PolarHBondContact O-N 3.14Å; F278-E282 HydrophobicContact CD1-CG 4.07Å; F278-E282 HydrophobicContact CE1-CG 3.62Å; F278-E282 HydrophobicContact CE2-CG 4.09Å; F278-E282 HydrophobicContact CG-CG 4.49Å; F278-E282 HydrophobicContact CZ-CG 3.63Å; F278-E282 WeakPolarHBondContact O-CG 3.18Å; F278-E282 PolarHBondContact O-N 3.13Å; F278-M328 HydrophobicContact CE1-CB 4.19Å; F278-M328 HydrophobicContact CE1-SD 4.25Å; F278-M328 HydrophobicContact CZ-CB 4.08Å; F278-R331 HydrophobicContact CE2-CB 3.94Å; F278-R331 HydrophobicContact CZ-CB 4.16Å; F278-L332 HydrophobicContact CB-CD1 4.41Å; F278-L332 HydrophobicContact CD1-CD1 3.73Å; F278-L332 HydrophobicContact CD2-CD1 4.33Å; F278-L332 HydrophobicContact CE1-CB 3.96Å; F278-L332 HydrophobicContact CE1-CD1 4.02Å; F278-L332 HydrophobicContact CE1-CG 4.47Å; F278-L332 HydrophobicContact CE2-CB 4.24Å; F278-L332 HydrophobicContact CG-CD1 3.9Å; F278-L332 HydrophobicContact CZ-CB 3.8Å; F278-L332 HydrophobicContact CZ-CD1 4.45Å; F278-R335 HydrophobicContact CD2-CB 4.04Å; F278-R335 HydrophobicContact CD2-CG 4.1Å; F278-R335 HydrophobicContact CE2-CB 4.39Å
279Y95.4Very high92.9Very high7 Ų767.5 Ų67.53%0.02734%0.339CS..Hα-helixtrans-59.4-49.9-178.3-172.9-125.6000112.3Q217 L220 D221 T275 T276 R281 E282 Q283 I295 D297Q217-Y279 HydrophobicContact CB-CE1 4.22Å; Q217-Y279 HydrophobicContact CG-CE1 4.27Å; L220-Y279 HydrophobicContact CB-CD2 3.8Å; L220-Y279 HydrophobicContact CB-CG 3.8Å; L220-Y279 HydrophobicContact CD1-CD2 3.49Å; L220-Y279 VanDerWaalsContact CD1-CD2 3.49Å; L220-Y279 HydrophobicContact CD1-CE2 4.1Å; L220-Y279 HydrophobicContact CD1-CG 4.3Å; L220-Y279 HydrophobicContact CG-CD2 4.28Å; D221-Y279 HydrophobicContact CB-CD1 3.97Å; D221-Y279 HydrophobicContact CB-CE1 4.49Å; T275-Y279 WeakPolarHBondContact O-CB 3.08Å; T275-Y279 PolarHBondContact O-N 2.88Å; T276-Y279 PolarHBondContact O-N 3.09Å; Y279-R281 VanDerWaalsContact C-N 3.29Å; Y279-R281 PolarHBondContact O-N 3.11Å; Y279-E282 PolarHBondContact O-N 3.02Å; Y279-Q283 HydrophobicContact CE2-CG 4.45Å; Y279-Q283 WeakPolarHBondContact O-CG 3.49Å; Y279-Q283 PolarHBondContact O-N 3.04Å; Y279-Q283 PolarHBondContact OH-NE2 3.33Å; Y279-I295 HydrophobicContact CD2-CD1 4.27Å; Y279-I295 HydrophobicContact CE2-CD1 4.05Å; Y279-I295 HydrophobicContact CE2-CG2 3.98Å; Y279-D297 PolarHBondContact OH-OD2 3.01Å
280H94.7Very high93Very high80 Ų8069.7 Ų69.737%0.3736%0.36SS..Hα-helixtrans-61.6-39.8178.5-71.2-56.3000111.9T276 F278 Q283 E284T276-H280 PolarHBondContact O-CD2 3.46Å; T276-H280 PolarHBondContact O-N 3.21Å; T276-H280 VanDerWaalsContact O-N 3.12Å; F278-H280 PolarHBondContact O-N 2.97Å; H280-Q283 PolarHBondContact O-N 3.03Å; H280-E284 WeakPolarHBondContact O-CG 3.34Å; H280-E284 PolarHBondContact O-N 3.37Å; H280-E284 VanDerWaalsContact O-N 3.13Å
281R94.9Very high93.2Very high123 Ų12370 Ų7046%0.46435%0.354SS..Hα-helixtrans-64.9-42.4176.9-172.2-179.6-61.4-171.4-0.7112.5E277 F278 Y279 Q283 E284 R285E277-R281 WeakPolarHBondContact O-CB 3.33Å; E277-R281 PolarHBondContact O-N 3.09Å; F278-R281 PolarHBondContact O-N 3.14Å; Y279-R281 VanDerWaalsContact C-N 3.29Å; Y279-R281 PolarHBondContact O-N 3.11Å; R281-Q283 VanDerWaalsContact C-N 3.31Å; R281-E284 PolarHBondContact O-N 3.36Å; R281-R285 PolarHBondContact O-N 3.24Å
282E94.3Very high93.3Very high4 Ų473.1 Ų73.12%0.01937%0.365CS..Hα-helixtrans-68-32.1177.7-69.2-68.8138.600111.8F278 Y279 E284 R285 I295 M328 R331F278-E282 HydrophobicContact CD1-CG 4.07Å; F278-E282 HydrophobicContact CE1-CG 3.62Å; F278-E282 HydrophobicContact CE2-CG 4.09Å; F278-E282 HydrophobicContact CG-CG 4.49Å; F278-E282 HydrophobicContact CZ-CG 3.63Å; F278-E282 WeakPolarHBondContact O-CG 3.18Å; F278-E282 PolarHBondContact O-N 3.13Å; Y279-E282 PolarHBondContact O-N 3.02Å; E282-E284 VanDerWaalsContact C-N 3.3Å; E282-E284 PolarHBondContact O-N 3.23Å; E282-R285 PolarHBondContact O-N 3.26Å; E282-R285 WeakPolarHBondContact OE1-CD 3.31Å; E282-R285 IonicContact OE1-CZ 3.27Å; E282-R285 IonicContact OE1-NH1 3.02Å; E282-R285 PolarHBondContact OE1-NH1 3.47Å; E282-R285 IonicContact OE2-NH1 3.76Å; E282-I295 HydrophobicContact CB-CD1 3.78Å; E282-M328 HydrophobicContact CB-SD 3.81Å; E282-M328 HydrophobicContact CG-SD 3.77Å; E282-R331 IonicContact OE1-CZ 3.03Å; E282-R331 IonicContact OE1-NE 2.83Å; E282-R331 PolarHBondContact OE1-NE 2.04Å; E282-R331 IonicContact OE1-NH2 3.57Å; E282-R331 IonicContact OE2-CZ 2.79Å; E282-R331 IonicContact OE2-NE 3.57Å; E282-R331 IonicContact OE2-NH2 3.68Å; E282-R331 PolarHBondContact OE2-NH2 3.05Å
283Q92.1Very high93.3Very high100 Ų10073.1 Ų73.147%0.46737%0.365SS..Hα-helixtrans-64.1-34.1170.7-73.8-173.7-10.700113Y279 H280 R281 R285 I295Y279-Q283 HydrophobicContact CE2-CG 4.45Å; Y279-Q283 WeakPolarHBondContact O-CG 3.49Å; Y279-Q283 PolarHBondContact O-N 3.04Å; Y279-Q283 PolarHBondContact OH-NE2 3.33Å; H280-Q283 PolarHBondContact O-N 3.03Å; R281-Q283 VanDerWaalsContact C-N 3.31Å; Q283-R285 VanDerWaalsContact C-N 3.32Å; Q283-I295 HydrophobicContact CG-CD1 3.85Å
284E93.8Very high93.2Very high158 Ų15869 Ų6974%0.73835%0.352SS*.Hα-helixtrans-80.5-11.5178.4-69.7176179.600113.5H280 R281 E282H280-E284 WeakPolarHBondContact O-CG 3.34Å; H280-E284 PolarHBondContact O-N 3.37Å; H280-E284 VanDerWaalsContact O-N 3.13Å; R281-E284 PolarHBondContact O-N 3.36Å; E282-E284 VanDerWaalsContact C-N 3.3Å; E282-E284 PolarHBondContact O-N 3.23Å
285R92.6Very high93Very high56 Ų5669.3 Ų69.321%0.21135%0.352CS..  trans-65.6142.5178.5-81.2-177.1119.5158.6-6.1111.1R281 E282 Q283 D289 E291 Y292R281-R285 PolarHBondContact O-N 3.24Å; E282-R285 PolarHBondContact O-N 3.26Å; E282-R285 WeakPolarHBondContact OE1-CD 3.31Å; E282-R285 IonicContact OE1-CZ 3.27Å; E282-R285 IonicContact OE1-NH1 3.02Å; E282-R285 PolarHBondContact OE1-NH1 3.47Å; E282-R285 IonicContact OE2-NH1 3.76Å; Q283-R285 VanDerWaalsContact C-N 3.32Å; R285-D289 IonicContact CZ-OD2 2.72Å; R285-D289 VanDerWaalsContact CZ-OD2 3.27Å; R285-D289 IonicContact NE-OD2 3.65Å; R285-D289 PolarHBondContact NE-OD2 3.02Å; R285-D289 IonicContact NH2-OD1 2.86Å; R285-D289 IonicContact NH2-OD2 3.53Å; R285-D289 PolarHBondContact NH2-OD2 2.89Å; R285-E291 IonicContact CZ-OE2 3.77Å; R285-E291 IonicContact NH1-OE2 2.76Å; R285-E291 IonicContact NH2-OE2 3.78Å; R285-E291 PolarHBondContact NH2-OE2 2.71Å; R285-Y292 HydrophobicContact CB-CD2 4.09Å; R285-Y292 VanDerWaalsContact O-CE2 3.3Å; R285-Y292 WeakPolarHBondContact O-CE2 3.49Å
286K93.4Very high92.6Very high151 Ų15175.9 Ų75.966%0.65738%0.377SS*.  trans-96.1148.4-177.7-64.7179.2-177.2177.30110.3N288 D289 Y292K286-N288 WeakPolarHBondContact CB-OD1 3.23Å; K286-N288 PolarHBondContact O-N 2.94Å; K286-D289 WeakPolarHBondContact O-CB 3.43Å; K286-D289 PolarHBondContact O-N 3.42Å; K286-Y292 WeakPolarHBondContact O-CD2 3.36Å
287A92.2Very high92.1Very high83 Ų8375.4 Ų75.469%0.68637%0.373SS*.THydrogen-bonded Turntrans-61.8-10.4179.800000115.4Y292A287-Y292 HydrophobicContact CB-CD1 4.13Å; A287-Y292 HydrophobicContact CB-CE1 4.09Å
288N92.1Very high91.4Very high141 Ų14174.7 Ų74.775%0.75438%0.377SS*.THydrogen-bonded Turntrans-89.8-5.517566.5-25.5000113.6K286K286-N288 WeakPolarHBondContact CB-OD1 3.23Å; K286-N288 PolarHBondContact O-N 2.94Å
289D92.1Very high91Very high52 Ų5278.2 Ų78.228%0.27839%0.393SS..SBendtrans-71.2128.9168.9-169.2-20.4000108.5R285 K286 E291 Y292R285-D289 IonicContact CZ-OD2 2.72Å; R285-D289 VanDerWaalsContact CZ-OD2 3.27Å; R285-D289 IonicContact NE-OD2 3.65Å; R285-D289 PolarHBondContact NE-OD2 3.02Å; R285-D289 IonicContact NH2-OD1 2.86Å; R285-D289 IonicContact NH2-OD2 3.53Å; R285-D289 PolarHBondContact NH2-OD2 2.89Å; K286-D289 WeakPolarHBondContact O-CB 3.43Å; K286-D289 PolarHBondContact O-N 3.42Å; D289-E291 PolarHBondContact O-N 2.96Å; D289-E291 VanDerWaalsContact O-N 3.11Å; D289-E291 PolarHBondContact OD1-N 3.3Å; D289-E291 VanDerWaalsContact OD1-N 3.09Å; D289-Y292 WeakPolarHBondContact O-CB 3.38Å; D289-Y292 PolarHBondContact O-N 2.82Å
290S89.7Confident90.4Very high124 Ų12478.9 Ų78.987%0.86740%0.397SS*.THydrogen-bonded Turntrans-60.7-20.7178.949.40000112.8
291E89.3Confident89.2Confident94 Ų9476.7 Ų76.744%0.43939%0.39SS..THydrogen-bonded Turntrans-100.27.9178.3-67.8-177.7178.500113.1R285 D289 C293 R331R285-E291 IonicContact CZ-OE2 3.77Å; R285-E291 IonicContact NH1-OE2 2.76Å; R285-E291 IonicContact NH2-OE2 3.78Å; R285-E291 PolarHBondContact NH2-OE2 2.71Å; D289-E291 PolarHBondContact O-N 2.96Å; D289-E291 VanDerWaalsContact O-N 3.11Å; D289-E291 PolarHBondContact OD1-N 3.3Å; D289-E291 VanDerWaalsContact OD1-N 3.09Å; E291-C293 PolarHBondContact O-N 2.95Å; E291-R331 PolarHBondContact O-NH1 2.83Å; E291-R331 PolarHBondContact O-NH2 3.17Å; E291-R331 WeakPolarHBondContact OE2-CD 3.34Å
292Y92.9Very high88.1Confident91 Ų9174.8 Ų74.836%0.35740%0.396SS..  trans-58.2125.1-177.7177.4-106000112R285 K286 A287 D289 A294R285-Y292 HydrophobicContact CB-CD2 4.09Å; R285-Y292 VanDerWaalsContact O-CE2 3.3Å; R285-Y292 WeakPolarHBondContact O-CE2 3.49Å; K286-Y292 WeakPolarHBondContact O-CD2 3.36Å; A287-Y292 HydrophobicContact CB-CD1 4.13Å; A287-Y292 HydrophobicContact CB-CE1 4.09Å; D289-Y292 WeakPolarHBondContact O-CB 3.38Å; D289-Y292 PolarHBondContact O-N 2.82Å; Y292-A294 HydrophobicContact CE1-CB 3.94Å
293C92.3Very high87.2Confident1 Ų178.6 Ų78.61%0.00742%0.416CS..  trans-111.2118.8169.7-660000108.6E291 I295 C327 M328 R331E291-C293 PolarHBondContact O-N 2.95Å; C293-I295 PolarHBondContact O-N 2.76Å; C293-C327 VanDerWaalsContact CA-SG 3.54Å; C293-C327 HydrophobicContact CB-CB 3.76Å; C293-C327 WeakPolarHBondContact CB-SG 3.24Å; C293-C327 WeakPolarHBondContact SG-CB 3.34Å; C293-C327 PolarHBondContact SG-O 2.87Å; C293-C327 CovalentContact SG-SG 2.03Å; C293-C327 PolarHBondContact SG-SG 3.39Å; C293-M328 HydrophobicContact CB-CG 3.42Å; C293-M328 VanDerWaalsContact CB-CG 3.42Å; C293-M328 HydrophobicContact CB-SD 4.23Å; C293-R331 PolarHBondContact SG-NH2 3.23Å
294A89.7Confident86.4Confident27 Ų2780.2 Ų80.222%0.22342%0.424CS..  trans-66.1118.5172.100000109Y292 Y296 S324Y292-A294 HydrophobicContact CE1-CB 3.94Å; A294-Y296 HydrophobicContact CB-CD2 4.13Å; A294-Y296 HydrophobicContact CB-CE2 3.46Å; A294-Y296 VanDerWaalsContact CB-CE2 3.46Å; A294-Y296 WeakPolarHBondContact O-CD2 3.38Å; A294-Y296 PolarHBondContact O-N 3.47Å; A294-S324 WeakPolarHBondContact O-CB 3.47Å; A294-S324 PolarHBondContact O-OG 3.4Å
295I89.6Confident85.5Confident37 Ų3777.1 Ų77.119%0.1941%0.408CS..  trans-82.8102.4175.6-60.4177.9000108.3Y279 E282 Q283 C293 D297 F321 M328Y279-I295 HydrophobicContact CD2-CD1 4.27Å; Y279-I295 HydrophobicContact CE2-CD1 4.05Å; Y279-I295 HydrophobicContact CE2-CG2 3.98Å; E282-I295 HydrophobicContact CB-CD1 3.78Å; Q283-I295 HydrophobicContact CG-CD1 3.85Å; C293-I295 PolarHBondContact O-N 2.76Å; I295-D297 HydrophobicContact CG2-CB 3.97Å; I295-D297 PolarHBondContact O-N 3.33Å; I295-F321 HydrophobicContact CG2-CE2 4.42Å; I295-M328 HydrophobicContact CD1-CE 4.38Å; I295-M328 HydrophobicContact CD1-SD 4.11Å; I295-M328 HydrophobicContact CG1-CE 3.97Å; I295-M328 HydrophobicContact CG1-SD 3.94Å
296Y88.4Confident84.7Confident140 Ų14075.3 Ų75.355%0.54940%0.401SS..  trans-92.790.7170.7-62.6-75.7000109.4A294 P298 F321 S324A294-Y296 HydrophobicContact CB-CD2 4.13Å; A294-Y296 HydrophobicContact CB-CE2 3.46Å; A294-Y296 VanDerWaalsContact CB-CE2 3.46Å; A294-Y296 WeakPolarHBondContact O-CD2 3.38Å; A294-Y296 PolarHBondContact O-N 3.47Å; Y296-P298 VanDerWaalsContact O-CD 3.29Å; Y296-P298 WeakPolarHBondContact O-CD 3.39Å; Y296-F321 VanDerWaalsContact O-CA 3.27Å; Y296-F321 WeakPolarHBondContact O-CA 3.26Å; Y296-F321 PolarHBondContact O-N 2.81Å; Y296-S324 PolarHBondContact N-OG 2.97Å
297D84.8Confident83.7Confident12 Ų1270.4 Ų70.46%0.06439%0.386CS..  trans-115.679.8-179.4-169.117.1000110.7R214 I215 G216 Q217 Y279 I295 E299 F321R214-D297 WeakPolarHBondContact CB-OD1 3.12Å; R214-D297 WeakPolarHBondContact CB-OD2 3.05Å; R214-D297 PolarHBondContact NH1-O 3.33Å; I215-D297 PolarHBondContact N-OD1 2.81Å; G216-D297 WeakPolarHBondContact CA-OD1 3.3Å; G216-D297 WeakPolarHBondContact CA-OD2 3.34Å; G216-D297 VanDerWaalsContact N-CG 3.32Å; G216-D297 PolarHBondContact N-OD1 3.14Å; G216-D297 PolarHBondContact N-OD2 2.68Å; Q217-D297 PolarHBondContact N-OD2 3.36Å; Y279-D297 PolarHBondContact OH-OD2 3.01Å; I295-D297 HydrophobicContact CG2-CB 3.97Å; I295-D297 PolarHBondContact O-N 3.33Å; D297-E299 PolarHBondContact O-N 3.09Å; D297-F321 HydrophobicContact CB-CD2 4.31Å
298P80.4Confident82.7Confident78 Ų7870.2 Ų70.251%0.50637%0.374SS..PPolyproline II helixtrans-63.1138.4-176.527.3-33.6000110.4Y296Y296-P298 VanDerWaalsContact O-CD 3.29Å; Y296-P298 WeakPolarHBondContact O-CD 3.39Å
299E85.8Confident81.7Confident83 Ų8366.6 Ų66.639%0.38836%0.359SS..BIsolated β-bridgetrans-73.8133.7169.1-162.1166.7166.400108.7S212 R214 D297S212-E299 WeakPolarHBondContact CA-OE1 3.21Å; S212-E299 WeakPolarHBondContact CB-OE1 3.03Å; R214-E299 HydrophobicContact CG-CB 4.15Å; R214-E299 HydrophobicContact CG-CG 4.25Å; R214-E299 IonicContact CZ-OE2 3.72Å; R214-E299 IonicContact NE-OE2 3.65Å; R214-E299 IonicContact NH2-OE2 2.71Å; R214-E299 PolarHBondContact NH2-OE2 3.16Å; D297-E299 PolarHBondContact O-N 3.09Å
300F82.7Confident80.6Confident22 Ų2266.7 Ų66.710%0.09636%0.358CS..PPolyproline II helixtrans-60.5148.4169.8-75.2-69000110.2V206 I213 I215 E249 L253 S302 Y351V206-F300 HydrophobicContact CB-CB 4.5Å; V206-F300 HydrophobicContact CG1-CB 3.68Å; V206-F300 HydrophobicContact CG1-CD2 4.48Å; V206-F300 HydrophobicContact CG1-CG 4.18Å; I213-F300 HydrophobicContact CB-CD2 3.81Å; I213-F300 HydrophobicContact CG2-CD2 3.62Å; I213-F300 HydrophobicContact CG2-CE2 3.87Å; I213-F300 VanDerWaalsContact O-CD2 3.28Å; I213-F300 WeakPolarHBondContact O-CD2 3.4Å; I213-F300 PolarHBondContact O-N 3.24Å; I215-F300 HydrophobicContact CD1-CE2 3.5Å; I215-F300 HydrophobicContact CD1-CZ 3.5Å; I215-F300 HydrophobicContact CG1-CE2 3.54Å; I215-F300 HydrophobicContact CG1-CZ 3.5Å; E249-F300 HydrophobicContact CG-CD1 4.01Å; E249-F300 HydrophobicContact CG-CE1 3.74Å; E249-F300 WeakPolarHBondContact OE1-CD1 3.49Å; L253-F300 HydrophobicContact CD1-CD1 4.34Å; L253-F300 HydrophobicContact CD1-CD2 4.34Å; L253-F300 HydrophobicContact CD1-CE1 4.03Å; L253-F300 HydrophobicContact CD1-CE2 4.09Å; L253-F300 HydrophobicContact CD1-CG 4.44Å; L253-F300 HydrophobicContact CD1-CZ 3.89Å; L253-F300 HydrophobicContact CD2-CD2 4.45Å; L253-F300 HydrophobicContact CD2-CE2 3.6Å; L253-F300 HydrophobicContact CD2-CZ 3.63Å; L253-F300 HydrophobicContact CG-CE1 4.33Å; L253-F300 HydrophobicContact CG-CE2 4.22Å; L253-F300 HydrophobicContact CG-CZ 3.85Å; F300-S302 PolarHBondContact O-N 3.47Å; F300-Y351 HydrophobicContact CE1-CE2 4.35Å; F300-Y351 WeakPolarHBondContact CE1-OH 3.44Å; F300-Y351 AromaticContact CZ-CE2 3.82Å; F300-Y351 HydrophobicContact CZ-CE2 3.82Å; F300-Y351 AromaticContact CZ-CZ 3.83Å; F300-Y351 WeakPolarHBondContact CZ-OH 3.44Å
301S70.6Confident79.6Confident33 Ų3361.1 Ų61.123%0.23132%0.319CS..PPolyproline II helixtrans-55.6128.2-177.9-173.20000109.7N204 D303N204-S301 PolarHBondContact ND2-O 3.03Å; S301-D303 VanDerWaalsContact OG-CB 3.28Å; S301-D303 WeakPolarHBondContact OG-CB 3.46Å; S301-D303 PolarHBondContact OG-N 2.92Å; S301-D303 VanDerWaalsContact OG-N 3.16Å; S301-D303 PolarHBondContact OG-OD2 3.19Å
302S71.8Confident78.5Confident84 Ų8464.2 Ų64.259%0.58733%0.326SS*.  trans-83.3-4.6170.157.20000112F300 E304F300-S302 PolarHBondContact O-N 3.47Å; S302-E304 PolarHBondContact O-N 2.03Å
303D75.6Confident77Confident83 Ų8366.2 Ų66.244%0.44434%0.341SS..  trans-61133.7175.6-62.3-30.2000109.4N204 S301 F305 Q310N204-D303 WeakPolarHBondContact CB-O 3.3Å; N204-D303 PolarHBondContact ND2-O 3.47Å; S301-D303 VanDerWaalsContact OG-CB 3.28Å; S301-D303 WeakPolarHBondContact OG-CB 3.46Å; S301-D303 PolarHBondContact OG-N 2.92Å; S301-D303 VanDerWaalsContact OG-N 3.16Å; S301-D303 PolarHBondContact OG-OD2 3.19Å; D303-F305 PolarHBondContact O-N 3.24Å; D303-F305 VanDerWaalsContact O-N 3.11Å; D303-Q310 PolarHBondContact OD2-NE2 3.47Å
304E74.2Confident75.6Confident134 Ų13468.5 Ų68.563%0.62635%0.354SS*.SBendtrans-65.4-15-179.3-68.1-173.6159.700113.2N204 S302N204-E304 PolarHBondContact N-O 2.97Å; S302-E304 PolarHBondContact O-N 2.03Å
305F75.8Confident74.5Confident93 Ų9368.9 Ų68.941%0.40835%0.354SS..BIsolated β-bridgetrans-144.7142.8-172.4-56.8-74.5000111.6I201 R203 D303I201-F305 HydrophobicContact CB-CD1 4.11Å; I201-F305 HydrophobicContact CB-CE1 4.46Å; I201-F305 HydrophobicContact CG2-CB 3.65Å; I201-F305 HydrophobicContact CG2-CD1 3.17Å; I201-F305 HydrophobicContact CG2-CE1 3.92Å; I201-F305 HydrophobicContact CG2-CG 3.54Å; R203-F305 HydrophobicContact CB-CE1 4.45Å; R203-F305 HydrophobicContact CG-CE1 4.39Å; D303-F305 PolarHBondContact O-N 3.24Å; D303-F305 VanDerWaalsContact O-N 3.11Å
306Y74.9Confident73.3Confident18 Ų1875.8 Ų75.87%0.07138%0.378CS..  trans-84135.3171.1-68.6-76.7000110.9I202 N204 T247 E249 H250 Q310 I311I202-Y306 HydrophobicContact CG2-CD2 4.26Å; I202-Y306 PolarHBondContact O-N 3.34Å; N204-Y306 HydrophobicContact CB-CD2 4.18Å; N204-Y306 HydrophobicContact CB-CE2 3.78Å; N204-Y306 PolarHBondContact OD1-OH 3.47Å; N204-Y306 VanDerWaalsContact OD1-OH 3.07Å; T247-Y306 HydrophobicContact CG2-CD2 4.21Å; T247-Y306 HydrophobicContact CG2-CE2 4.35Å; E249-Y306 PolarHBondContact OE1-OH 2.93Å; E249-Y306 PolarHBondContact OE2-OH 2.84Å; H250-Y306 AromaticContact CE1-CE2 3.87Å; H250-Y306 AromaticContact NE2-CE2 3.62Å; Y306-Q310 HydrophobicContact CD1-CB 4.45Å; Y306-I311 HydrophobicContact CG-CG1 4.42Å
307S73.3Confident72.9Confident49 Ų4972.8 Ų72.834%0.34338%0.377SS..  trans-83.1151.316358.30000111.2S309 Q310 I311S307-S309 PolarHBondContact O-N 2.83Å; S307-S309 VanDerWaalsContact O-N 3.14Å; S307-S309 PolarHBondContact OG-OG 3.29Å; S307-Q310 WeakPolarHBondContact O-CB 3.38Å; S307-Q310 PolarHBondContact O-N 3.05Å; S307-Q310 VanDerWaalsContact OG-CD 3.31Å; S307-Q310 VanDerWaalsContact OG-CG 3.31Å; S307-Q310 WeakPolarHBondContact OG-CG 3.22Å; S307-Q310 PolarHBondContact OG-N 3.48Å; S307-Q310 PolarHBondContact OG-OE1 2.95Å; S307-I311 PolarHBondContact O-N 2.93Å; S307-I311 VanDerWaalsContact O-N 3.13Å
308D70.1Confident72.9Confident79 Ų7974.3 Ų74.342%0.42239%0.388SS..Hα-helixtrans-53.2-35175.3178.543.1000112I311 R312D308-I311 PolarHBondContact O-N 2.97Å; D308-R312 WeakPolarHBondContact O-CG 3.38Å; D308-R312 PolarHBondContact O-N 2.98Å; D308-R312 VanDerWaalsContact O-N 3.12Å; D308-R312 IonicContact OD1-CZ 3.67Å; D308-R312 IonicContact OD1-NE 3.67Å; D308-R312 PolarHBondContact OD1-NE 3Å; D308-R312 IonicContact OD1-NH2 2.79Å; D308-R312 PolarHBondContact OD1-NH2 3.39Å; D308-R312 IonicContact OD2-CZ 3.21Å; D308-R312 IonicContact OD2-NE 2.88Å; D308-R312 PolarHBondContact OD2-NE 3.46Å; D308-R312 IonicContact OD2-NH2 3.32Å; D308-R312 PolarHBondContact OD2-NH2 2.98Å
309S71.8Confident73.1Confident64 Ų6471.5 Ų71.545%0.44837%0.37SS..Hα-helixtrans-69.1-35.8176.362.40000113.5S307 M313S307-S309 PolarHBondContact O-N 2.83Å; S307-S309 VanDerWaalsContact O-N 3.14Å; S307-S309 PolarHBondContact OG-OG 3.29Å; S309-M313 WeakPolarHBondContact O-CB 3.33Å; S309-M313 WeakPolarHBondContact O-CE 3.2Å; S309-M313 WeakPolarHBondContact O-CG 3.42Å; S309-M313 PolarHBondContact O-N 3.32Å; S309-M313 VanDerWaalsContact O-N 3.1Å
310Q68.9Low73.1Confident54 Ų5469.5 Ų69.525%0.25237%0.368SS..Hα-helixtrans-66.6-44.2174.9-80.1164.9-28.100110.9D303 Y306 S307 R312 M313 T314D303-Q310 PolarHBondContact OD2-NE2 3.47Å; Y306-Q310 HydrophobicContact CD1-CB 4.45Å; S307-Q310 WeakPolarHBondContact O-CB 3.38Å; S307-Q310 PolarHBondContact O-N 3.05Å; S307-Q310 VanDerWaalsContact OG-CD 3.31Å; S307-Q310 VanDerWaalsContact OG-CG 3.31Å; S307-Q310 WeakPolarHBondContact OG-CG 3.22Å; S307-Q310 PolarHBondContact OG-N 3.48Å; S307-Q310 PolarHBondContact OG-OE1 2.95Å; Q310-R312 VanDerWaalsContact C-N 3.3Å; Q310-R312 PolarHBondContact O-N 3.26Å; Q310-M313 PolarHBondContact O-N 3.42Å; Q310-M313 VanDerWaalsContact O-N 3.12Å; Q310-T314 PolarHBondContact O-N 2.83Å; Q310-T314 VanDerWaalsContact O-N 3.08Å; Q310-T314 PolarHBondContact O-OG1 3Å
311I68.3Low73.4Confident8 Ų868.6 Ų68.64%0.04136%0.364CS..Hα-helixtrans-57.8-44.8177.3-61.4170000110.2D192 L196 I202 Y306 S307 D308 M313 T314 T315D192-I311 WeakPolarHBondContact OD1-CG2 3.18Å; L196-I311 HydrophobicContact CD1-CD1 4.05Å; I202-I311 HydrophobicContact CD1-CD1 3.59Å; Y306-I311 HydrophobicContact CG-CG1 4.42Å; S307-I311 PolarHBondContact O-N 2.93Å; S307-I311 VanDerWaalsContact O-N 3.13Å; D308-I311 PolarHBondContact O-N 2.97Å; I311-M313 VanDerWaalsContact C-N 3.35Å; I311-M313 PolarHBondContact O-N 3.13Å; I311-T314 PolarHBondContact O-OG1 3.47Å; I311-T315 WeakPolarHBondContact O-CG2 2.96Å
312R67.8Low74.4Confident159 Ų15967.1 Ų67.160%0.635%0.354SS*.Hα-helixtrans-71.1-25.2178.6-67.5179-164.8-152.55.4114.5D308 Q310 T315D308-R312 WeakPolarHBondContact O-CG 3.38Å; D308-R312 PolarHBondContact O-N 2.98Å; D308-R312 VanDerWaalsContact O-N 3.12Å; D308-R312 IonicContact OD1-CZ 3.67Å; D308-R312 IonicContact OD1-NE 3.67Å; D308-R312 PolarHBondContact OD1-NE 3Å; D308-R312 IonicContact OD1-NH2 2.79Å; D308-R312 PolarHBondContact OD1-NH2 3.39Å; D308-R312 IonicContact OD2-CZ 3.21Å; D308-R312 IonicContact OD2-NE 2.88Å; D308-R312 PolarHBondContact OD2-NE 3.46Å; D308-R312 IonicContact OD2-NH2 3.32Å; D308-R312 PolarHBondContact OD2-NH2 2.98Å; Q310-R312 VanDerWaalsContact C-N 3.3Å; Q310-R312 PolarHBondContact O-N 3.26Å; R312-T315 PolarHBondContact O-OG1 2.85Å; R312-T315 VanDerWaalsContact O-OG1 3.13Å
313M60.1Low75.3Confident133 Ų13369.8 Ų69.866%0.65536%0.357SS*.Hα-helixtrans-81.6-37.5-179.9-84-171.1-95.100112.4S309 Q310 I311 T315S309-M313 WeakPolarHBondContact O-CB 3.33Å; S309-M313 WeakPolarHBondContact O-CE 3.2Å; S309-M313 WeakPolarHBondContact O-CG 3.42Å; S309-M313 PolarHBondContact O-N 3.32Å; S309-M313 VanDerWaalsContact O-N 3.1Å; Q310-M313 PolarHBondContact O-N 3.42Å; Q310-M313 VanDerWaalsContact O-N 3.12Å; I311-M313 VanDerWaalsContact C-N 3.35Å; I311-M313 PolarHBondContact O-N 3.13Å; M313-T315 VanDerWaalsContact C-N 3.28Å; M313-T315 PolarHBondContact O-N 3.4Å
314T64.2Low76.2Confident48 Ų4866 Ų6629%0.29434%0.337SS..Hα-helixtrans-71-22-176.751.10000113.1Q310 I311 R316 Y355Q310-T314 PolarHBondContact O-N 2.83Å; Q310-T314 VanDerWaalsContact O-N 3.08Å; Q310-T314 PolarHBondContact O-OG1 3Å; I311-T314 PolarHBondContact O-OG1 3.47Å; T314-R316 PolarHBondContact O-N 2.89Å; T314-Y355 WeakPolarHBondContact O-CD1 3.39Å; T314-Y355 VanDerWaalsContact O-CE1 3.29Å; T314-Y355 WeakPolarHBondContact O-CE1 3.41Å
315T65.4Low77.2Confident36 Ų3659.6 Ų59.622%0.22131%0.307CS..THydrogen-bonded Turntrans-74.9-16.6-173.447.90000115.5D192 L248 I311 R312 M313D192-T315 HydrophobicContact CB-CG2 4.45Å; D192-T315 VanDerWaalsContact OD1-CG2 3.27Å; D192-T315 WeakPolarHBondContact OD1-CG2 3.5Å; L248-T315 HydrophobicContact CD2-CG2 4.08Å; I311-T315 WeakPolarHBondContact O-CG2 2.96Å; R312-T315 PolarHBondContact O-OG1 2.85Å; R312-T315 VanDerWaalsContact O-OG1 3.13Å; M313-T315 VanDerWaalsContact C-N 3.28Å; M313-T315 PolarHBondContact O-N 3.4Å
316R65.5Low78Confident181 Ų18159.9 Ų59.968%0.68331%0.31SS*.SBendtrans-109.3-9.7-163.4-68.3-170.2176.6-170-1.5117.4T314 R358T314-R316 PolarHBondContact O-N 2.89Å; R316-R358 PolarHBondContact O-NH2 2.94Å
317S79.1Confident78.9Confident77 Ų7762.3 Ų62.354%0.53833%0.329SS..SBendtrans-124.9140.5-177.552.10000111.5
318C85.8Confident80Confident44 Ų4460 Ų6030%0.29731%0.312SS..  trans-59.1143171.9-60.80000110.6A320 C359C318-A320 PolarHBondContact O-N 2.7Å; C318-C359 WeakPolarHBondContact CA-SG 3.13Å; C318-C359 HydrophobicContact CB-CB 3.61Å; C318-C359 WeakPolarHBondContact CB-SG 3.3Å; C318-C359 WeakPolarHBondContact SG-CA 3.13Å; C318-C359 WeakPolarHBondContact SG-CB 3.22Å; C318-C359 CovalentContact SG-SG 2.04Å; C318-C359 PolarHBondContact SG-SG 3.47Å
319P84.4Confident81.2Confident19 Ų1956.3 Ų56.312%0.12329%0.293CS..  trans-57.3127.3177.5-22.531.4000111F321 G322 Y348 Y351 Y355P319-F321 PolarHBondContact O-N 2.88Å; P319-G322 PolarHBondContact O-N 3.09Å; P319-Y348 HydrophobicContact CB-CE2 4.31Å; P319-Y348 PolarHBondContact O-OH 3.05Å; P319-Y348 VanDerWaalsContact O-OH 3.09Å; P319-Y351 HydrophobicContact CB-CD1 4.44Å; P319-Y351 HydrophobicContact CB-CE1 3.78Å; P319-Y351 HydrophobicContact CG-CD1 3.95Å; P319-Y351 HydrophobicContact CG-CE1 3.4Å; P319-Y351 VanDerWaalsContact CG-CE1 3.4Å; P319-Y355 HydrophobicContact CG-CD2 3.9Å; P319-Y355 HydrophobicContact CG-CE2 4.06Å; P319-Y355 HydrophobicContact CG-CG 4.28Å
320A85.7Confident82.1Confident41 Ų4156.3 Ų56.334%0.33929%0.286SS..THydrogen-bonded Turntrans-56.5-28.5-174.800000113.4C318 G322 Q323C318-A320 PolarHBondContact O-N 2.7Å; A320-G322 PolarHBondContact O-N 2.88Å; A320-Q323 PolarHBondContact O-N 3.33Å
321F88.6Confident83.3Confident3 Ų355.3 Ų55.31%0.01328%0.28CS..Hα-helixtrans-58.7-29176.9-172.3-106.3000113I215 L219 L220 I295 Y296 D297 P319 Q323 S324 L325 Y348I215-F321 HydrophobicContact CG2-CD1 3.97Å; I215-F321 HydrophobicContact CG2-CG 4.47Å; L219-F321 HydrophobicContact CD1-CD1 4.07Å; L219-F321 HydrophobicContact CD1-CE1 3.69Å; L220-F321 HydrophobicContact CD1-CE2 4.37Å; L220-F321 HydrophobicContact CD1-CZ 3.77Å; L220-F321 HydrophobicContact CG-CZ 4.23Å; I295-F321 HydrophobicContact CG2-CE2 4.42Å; Y296-F321 VanDerWaalsContact O-CA 3.27Å; Y296-F321 WeakPolarHBondContact O-CA 3.26Å; Y296-F321 PolarHBondContact O-N 2.81Å; D297-F321 HydrophobicContact CB-CD2 4.31Å; P319-F321 PolarHBondContact O-N 2.88Å; F321-Q323 VanDerWaalsContact C-N 3.32Å; F321-Q323 PolarHBondContact O-N 2.81Å; F321-S324 WeakPolarHBondContact O-CB 3.28Å; F321-S324 PolarHBondContact O-N 3.27Å; F321-S324 VanDerWaalsContact O-N 3.11Å; F321-L325 HydrophobicContact CD1-CB 4.43Å; F321-L325 HydrophobicContact CE1-CB 4.06Å; F321-L325 HydrophobicContact CE1-CD2 4.12Å; F321-L325 HydrophobicContact CE1-CG 4.49Å; F321-L325 HydrophobicContact CZ-CB 4.41Å; F321-L325 WeakPolarHBondContact O-CB 3.28Å; F321-L325 PolarHBondContact O-N 3.42Å; F321-Y348 HydrophobicContact CB-CE2 4.34Å; F321-Y348 AromaticContact CD1-CD2 3.86Å; F321-Y348 HydrophobicContact CD1-CD2 3.86Å; F321-Y348 HydrophobicContact CD1-CE2 4.04Å
322G91.6Very high84.5Confident3 Ų355 Ų553%0.03128%0.278CS..Hα-helixtrans-61-38.9178.600000113.3P319 A320 L325 Q326 Y348P319-G322 PolarHBondContact O-N 3.09Å; A320-G322 PolarHBondContact O-N 2.88Å; G322-L325 PolarHBondContact O-N 3.34Å; G322-Q326 WeakPolarHBondContact O-CB 3.5Å; G322-Q326 PolarHBondContact O-N 3.48Å; G322-Y348 WeakPolarHBondContact CA-OH 3.33Å; G322-Y348 PolarHBondContact N-OH 3.15Å
323Q91.2Very high85.7Confident139 Ų13947.7 Ų47.765%0.6525%0.252SS*.Hα-helixtrans-67.6-39.6175.7-63.9178.76.100111.4A320 F321 Q326 C327A320-Q323 PolarHBondContact O-N 3.33Å; F321-Q323 VanDerWaalsContact C-N 3.32Å; F321-Q323 PolarHBondContact O-N 2.81Å; Q323-Q326 PolarHBondContact O-N 3.37Å; Q323-C327 WeakPolarHBondContact O-CB 3.43Å; Q323-C327 PolarHBondContact O-N 3.48Å
324S93.4Very high86.9Confident3 Ų347.1 Ų47.12%0.02125%0.248CC..Hα-helixtrans-62.4-46.6176.6-49.10000110.3A294 Y296 F321 C327 M328A294-S324 WeakPolarHBondContact O-CB 3.47Å; A294-S324 PolarHBondContact O-OG 3.4Å; Y296-S324 PolarHBondContact N-OG 2.97Å; F321-S324 WeakPolarHBondContact O-CB 3.28Å; F321-S324 PolarHBondContact O-N 3.27Å; F321-S324 VanDerWaalsContact O-N 3.11Å; S324-C327 WeakPolarHBondContact O-CB 2.87Å; S324-C327 PolarHBondContact O-N 3.09Å; S324-M328 WeakPolarHBondContact O-CE 3.35Å; S324-M328 WeakPolarHBondContact O-CG 2.95Å; S324-M328 PolarHBondContact O-N 2.94Å
325L94.8Very high88.2Confident0 Ų051.4 Ų51.40%026%0.258CS..Hα-helixtrans-65.9-39.9179.8-177.457.4000112F321 G322 C327 M328 A329 L332 T344 Y345 Y348 L361F321-L325 HydrophobicContact CD1-CB 4.43Å; F321-L325 HydrophobicContact CE1-CB 4.06Å; F321-L325 HydrophobicContact CE1-CD2 4.12Å; F321-L325 HydrophobicContact CE1-CG 4.49Å; F321-L325 HydrophobicContact CZ-CB 4.41Å; F321-L325 WeakPolarHBondContact O-CB 3.28Å; F321-L325 PolarHBondContact O-N 3.42Å; G322-L325 PolarHBondContact O-N 3.34Å; L325-C327 VanDerWaalsContact C-N 3.35Å; L325-M328 PolarHBondContact O-N 2.95Å; L325-A329 WeakPolarHBondContact O-CA 3.21Å; L325-A329 WeakPolarHBondContact O-CB 3.46Å; L325-A329 PolarHBondContact O-N 2.83Å; L325-L332 HydrophobicContact CD1-CD2 4.21Å; L325-T344 HydrophobicContact CD1-CG2 3.67Å; L325-T344 HydrophobicContact CD2-CG2 3.76Å; L325-T344 HydrophobicContact CG-CG2 4.39Å; L325-Y345 HydrophobicContact CD1-CE1 4.14Å; L325-Y345 HydrophobicContact CD2-CD1 3.89Å; L325-Y345 HydrophobicContact CD2-CE1 3.93Å; L325-Y345 HydrophobicContact CG-CD1 4.12Å; L325-Y345 HydrophobicContact CG-CE1 3.66Å; L325-Y348 HydrophobicContact CD2-CG 4.1Å; L325-L361 HydrophobicContact CB-CD1 4.15Å; L325-L361 HydrophobicContact CD2-CD1 3.61Å; L325-L361 HydrophobicContact CG-CD1 3.95Å
326Q93.7Very high89.4Confident100 Ų10051.1 Ų51.147%0.46726%0.257SS..Hα-helixtrans-65.3-38.1175-166169.612.700112.2G322 Q323 A329 L361G322-Q326 WeakPolarHBondContact O-CB 3.5Å; G322-Q326 PolarHBondContact O-N 3.48Å; Q323-Q326 PolarHBondContact O-N 3.37Å; Q326-A329 WeakPolarHBondContact O-CB 3.45Å; Q326-A329 PolarHBondContact O-N 3.32Å; Q326-L361 HydrophobicContact CB-CD2 4.46Å
327C94.1Very high90.5Very high68 Ų6844 Ų4446%0.45924%0.236SC..Hα-helixtrans-63.2-40.1174.9-176.70000112.3C293 Q323 S324 L325C293-C327 VanDerWaalsContact CA-SG 3.54Å; C293-C327 HydrophobicContact CB-CB 3.76Å; C293-C327 WeakPolarHBondContact CB-SG 3.24Å; C293-C327 WeakPolarHBondContact SG-CB 3.34Å; C293-C327 PolarHBondContact SG-O 2.87Å; C293-C327 CovalentContact SG-SG 2.03Å; C293-C327 PolarHBondContact SG-SG 3.39Å; Q323-C327 WeakPolarHBondContact O-CB 3.43Å; Q323-C327 PolarHBondContact O-N 3.48Å; S324-C327 WeakPolarHBondContact O-CB 2.87Å; S324-C327 PolarHBondContact O-N 3.09Å; L325-C327 VanDerWaalsContact C-N 3.35Å
328M94.9Very high90.9Very high1 Ų142.1 Ų42.11%0.00522%0.217CC..Hα-helixtrans-87.6-7.3-177.6-65.5-176.4-68.700114.2L220 F278 E282 C293 I295 S324 L325 Q330 R331 L332L220-M328 HydrophobicContact CD1-CE 4.47Å; F278-M328 HydrophobicContact CE1-CB 4.19Å; F278-M328 HydrophobicContact CE1-SD 4.25Å; F278-M328 HydrophobicContact CZ-CB 4.08Å; E282-M328 HydrophobicContact CB-SD 3.81Å; E282-M328 HydrophobicContact CG-SD 3.77Å; C293-M328 HydrophobicContact CB-CG 3.42Å; C293-M328 VanDerWaalsContact CB-CG 3.42Å; C293-M328 HydrophobicContact CB-SD 4.23Å; I295-M328 HydrophobicContact CD1-CE 4.38Å; I295-M328 HydrophobicContact CD1-SD 4.11Å; I295-M328 HydrophobicContact CG1-CE 3.97Å; I295-M328 HydrophobicContact CG1-SD 3.94Å; S324-M328 WeakPolarHBondContact O-CE 3.35Å; S324-M328 WeakPolarHBondContact O-CG 2.95Å; S324-M328 PolarHBondContact O-N 2.94Å; L325-M328 PolarHBondContact O-N 2.95Å; M328-Q330 PolarHBondContact O-N 3.33Å; M328-R331 PolarHBondContact O-N 2.72Å; M328-R331 VanDerWaalsContact O-N 3.14Å; M328-L332 PolarHBondContact O-N 3.2Å
329A95.7Very high91Very high2 Ų243.2 Ų43.22%0.01722%0.218CC..Hα-helixtrans-55.9-48.9-165.200000114.1L325 Q326 R331 L332 A333 L341 Y345 V366L325-A329 WeakPolarHBondContact O-CA 3.21Å; L325-A329 WeakPolarHBondContact O-CB 3.46Å; L325-A329 PolarHBondContact O-N 2.83Å; Q326-A329 WeakPolarHBondContact O-CB 3.45Å; Q326-A329 PolarHBondContact O-N 3.32Å; A329-R331 VanDerWaalsContact C-N 3.33Å; A329-R331 PolarHBondContact O-N 3.48Å; A329-L332 PolarHBondContact O-N 2.94Å; A329-A333 PolarHBondContact O-N 3.15Å; A329-L341 HydrophobicContact CB-CD1 3.86Å; A329-L341 HydrophobicContact CB-CD2 4.39Å; A329-Y345 HydrophobicContact CB-CE1 4.3Å; A329-Y345 WeakPolarHBondContact CB-OH 3.25Å; A329-V366 HydrophobicContact CB-CG1 4.28Å; A329-V366 HydrophobicContact CB-CG2 3.65Å
330Q91.4Very high91.4Very high64 Ų6442.3 Ų42.330%0.29921%0.212SC..Hα-helixtrans-59.6-45.4-179.8-175.162.928.300111.3M328 A333 E334 Q367M328-Q330 PolarHBondContact O-N 3.33Å; Q330-A333 PolarHBondContact O-N 3.4Å; Q330-E334 WeakPolarHBondContact CG-OE1 3.32Å; Q330-E334 PolarHBondContact NE2-OE1 3.04Å; Q330-E334 WeakPolarHBondContact O-CB 3.45Å; Q330-E334 VanDerWaalsContact O-CG 3.31Å; Q330-E334 WeakPolarHBondContact O-CG 3.31Å; Q330-E334 PolarHBondContact O-N 2.95Å; Q330-Q367 PolarHBondContact OE1-O 2.91Å
331R92.9Very high91.8Very high33 Ų3340.4 Ų40.413%0.12520%0.196CC..Hα-helixtrans-69.8-35.6-180-63.3-167.7-60-95.112.7112.6F278 E282 E291 C293 M328 A329 A333 E334 R335F278-R331 HydrophobicContact CE2-CB 3.94Å; F278-R331 HydrophobicContact CZ-CB 4.16Å; E282-R331 IonicContact OE1-CZ 3.03Å; E282-R331 IonicContact OE1-NE 2.83Å; E282-R331 PolarHBondContact OE1-NE 2.04Å; E282-R331 IonicContact OE1-NH2 3.57Å; E282-R331 IonicContact OE2-CZ 2.79Å; E282-R331 IonicContact OE2-NE 3.57Å; E282-R331 IonicContact OE2-NH2 3.68Å; E282-R331 PolarHBondContact OE2-NH2 3.05Å; E291-R331 PolarHBondContact O-NH1 2.83Å; E291-R331 PolarHBondContact O-NH2 3.17Å; E291-R331 WeakPolarHBondContact OE2-CD 3.34Å; C293-R331 PolarHBondContact SG-NH2 3.23Å; M328-R331 PolarHBondContact O-N 2.72Å; M328-R331 VanDerWaalsContact O-N 3.14Å; A329-R331 VanDerWaalsContact C-N 3.33Å; A329-R331 PolarHBondContact O-N 3.48Å; R331-A333 VanDerWaalsContact C-N 3.31Å; R331-E334 PolarHBondContact O-N 2.79Å; R331-R335 WeakPolarHBondContact O-CB 3.46Å; R331-R335 PolarHBondContact O-N 3.03Å
332L94.7Very high92Very high0 Ų043.4 Ų43.40%021%0.209CC..Hα-helixtrans-62.1-43.4173.7178.658.4000110.4L220 T275 F278 L325 M328 A329 C336 L341 T344L220-L332 HydrophobicContact CD2-CD2 4.03Å; T275-L332 HydrophobicContact CG2-CD1 4.17Å; F278-L332 HydrophobicContact CB-CD1 4.41Å; F278-L332 HydrophobicContact CD1-CD1 3.73Å; F278-L332 HydrophobicContact CD2-CD1 4.33Å; F278-L332 HydrophobicContact CE1-CB 3.96Å; F278-L332 HydrophobicContact CE1-CD1 4.02Å; F278-L332 HydrophobicContact CE1-CG 4.47Å; F278-L332 HydrophobicContact CE2-CB 4.24Å; F278-L332 HydrophobicContact CG-CD1 3.9Å; F278-L332 HydrophobicContact CZ-CB 3.8Å; F278-L332 HydrophobicContact CZ-CD1 4.45Å; L325-L332 HydrophobicContact CD1-CD2 4.21Å; M328-L332 PolarHBondContact O-N 3.2Å; A329-L332 PolarHBondContact O-N 2.94Å; L332-C336 HydrophobicContact CD1-CB 4.22Å; L332-C336 WeakPolarHBondContact O-CB 3.47Å; L332-C336 PolarHBondContact O-N 3.14Å; L332-L341 HydrophobicContact CB-CD1 4.38Å; L332-L341 HydrophobicContact CD2-CB 4.44Å; L332-L341 HydrophobicContact CD2-CD1 3.89Å; L332-L341 HydrophobicContact CG-CB 4.39Å; L332-L341 HydrophobicContact CG-CD1 4.36Å; L332-T344 HydrophobicContact CD2-CG2 4.45Å
333A91.6Very high92.2Very high6 Ų644.2 Ų44.25%0.0521%0.213CC..Hα-helixtrans-63.9-44.3175.500000112.9A329 Q330 R331 S337 Y338 L341 P369A329-A333 PolarHBondContact O-N 3.15Å; Q330-A333 PolarHBondContact O-N 3.4Å; R331-A333 VanDerWaalsContact C-N 3.31Å; A333-S337 WeakPolarHBondContact CA-O 3.19Å; A333-S337 CarbonylContact O-C 3.51Å; A333-S337 VanDerWaalsContact O-C 3.28Å; A333-S337 VanDerWaalsContact O-CA 3.24Å; A333-S337 WeakPolarHBondContact O-CA 3.37Å; A333-S337 PolarHBondContact O-N 3.32Å; A333-Y338 HydrophobicContact CB-CD2 4.44Å; A333-L341 HydrophobicContact CB-CB 4.27Å; A333-L341 HydrophobicContact CB-CD2 3.87Å; A333-P369 HydrophobicContact CB-CG 4.38Å
334E86.7Confident92.4Very high122 Ų12237.8 Ų37.857%0.5718%0.183SC*.Hα-helixtrans-69.6-36.8179.5-73.3170-178.300113Q330 R331 P369Q330-E334 WeakPolarHBondContact CG-OE1 3.32Å; Q330-E334 PolarHBondContact NE2-OE1 3.04Å; Q330-E334 WeakPolarHBondContact O-CB 3.45Å; Q330-E334 VanDerWaalsContact O-CG 3.31Å; Q330-E334 WeakPolarHBondContact O-CG 3.31Å; Q330-E334 PolarHBondContact O-N 2.95Å; R331-E334 PolarHBondContact O-N 2.79Å; E334-P369 HydrophobicContact CG-CG 3.83Å
335R90.5Very high92.6Very high137 Ų13737.9 Ų37.952%0.51718%0.183SC..Hα-helixtrans-86.1-37.9-173.8-176.357.6-177.4163.48113.2F278 R331F278-R335 HydrophobicContact CD2-CB 4.04Å; F278-R335 HydrophobicContact CD2-CG 4.1Å; F278-R335 HydrophobicContact CE2-CB 4.39Å; R331-R335 WeakPolarHBondContact O-CB 3.46Å; R331-R335 PolarHBondContact O-N 3.03Å
336C92Very high92.6Very high30 Ų3042.3 Ų42.320%0.20320%0.203CC..THydrogen-bonded Turntrans-106.3-69.6-177.5-68.30000111.5C274 L332 A340C274-C336 HydrophobicContact CB-CB 3.74Å; C274-C336 WeakPolarHBondContact CB-SG 3.07Å; C274-C336 PolarHBondContact O-SG 3.21Å; C274-C336 VanDerWaalsContact O-SG 3.34Å; C274-C336 WeakPolarHBondContact SG-CA 3.34Å; C274-C336 WeakPolarHBondContact SG-CB 3.26Å; C274-C336 CovalentContact SG-SG 2.05Å; C274-C336 PolarHBondContact SG-SG 2.03Å; L332-C336 HydrophobicContact CD1-CB 4.22Å; L332-C336 WeakPolarHBondContact O-CB 3.47Å; L332-C336 PolarHBondContact O-N 3.14Å; C336-A340 HydrophobicContact CB-CB 3.78Å
337S88.3Confident92.7Very high33 Ų3337.8 Ų37.823%0.23118%0.183CC..  trans176.2162.3170.956.40000108.6A333 E339 A340 L341A333-S337 WeakPolarHBondContact CA-O 3.19Å; A333-S337 CarbonylContact O-C 3.51Å; A333-S337 VanDerWaalsContact O-C 3.28Å; A333-S337 VanDerWaalsContact O-CA 3.24Å; A333-S337 WeakPolarHBondContact O-CA 3.37Å; A333-S337 PolarHBondContact O-N 3.32Å; S337-E339 WeakPolarHBondContact CB-OE2 3.48Å; S337-E339 PolarHBondContact O-N 3.48Å; S337-A340 WeakPolarHBondContact O-CB 3.36Å; S337-A340 PolarHBondContact O-N 2.93Å; S337-A340 WeakPolarHBondContact OG-CB 3.23Å; S337-A340 PolarHBondContact OG-N 2.65Å; S337-L341 PolarHBondContact O-N 3Å; S337-L341 VanDerWaalsContact O-N 3.17Å
338Y87.3Confident92.8Very high37 Ų3734.7 Ų34.715%0.14516%0.161CC..Hα-helixtrans-62.6-30.8170.5-172-95000111.7A333 L341 K342 I363 R368A333-Y338 HydrophobicContact CB-CD2 4.44Å; Y338-L341 HydrophobicContact CD2-CD2 4.43Å; Y338-L341 HydrophobicContact CE2-CD2 4.48Å; Y338-L341 PolarHBondContact O-N 3.24Å; Y338-K342 VanDerWaalsContact O-CB 3.32Å; Y338-K342 WeakPolarHBondContact O-CB 3.5Å; Y338-K342 PolarHBondContact O-N 2.88Å; Y338-I363 HydrophobicContact CE1-CD1 3.99Å; Y338-I363 HydrophobicContact CE2-CD1 4.35Å; Y338-I363 HydrophobicContact CE2-CG1 4.34Å; Y338-R368 HydrophobicContact CD1-CG 4.32Å; Y338-R368 HydrophobicContact CD2-CB 3.78Å; Y338-R368 HydrophobicContact CD2-CG 3.73Å; Y338-R368 HydrophobicContact CE2-CB 3.77Å; Y338-R368 HydrophobicContact CE2-CG 4.17Å; Y338-R368 HydrophobicContact CG-CB 4.34Å; Y338-R368 HydrophobicContact CG-CG 3.8Å
339E87.8Confident92.9Very high67 Ų6736 Ų3631%0.31317%0.168SC..Hα-helixtrans-68.2-38.1177.2-67.560.7-133.200111.3S337 K342 L343 R368S337-E339 WeakPolarHBondContact CB-OE2 3.48Å; S337-E339 PolarHBondContact O-N 3.48Å; E339-K342 PolarHBondContact O-N 3.04Å; E339-L343 WeakPolarHBondContact O-CB 3.4Å; E339-L343 PolarHBondContact O-N 3.45Å; E339-R368 IonicContact OE1-CZ 2.77Å; E339-R368 IonicContact OE1-NH2 2.71Å; E339-R368 PolarHBondContact OE1-NH2 2.71Å
340A92.4Very high92.8Very high0 Ų036 Ų360%017%0.168CC..Hα-helixtrans-61.9-50172.300000110.8I271 T275 C336 S337 K342 L343 T344I271-A340 HydrophobicContact CG2-CB 3.68Å; T275-A340 HydrophobicContact CG2-CB 4.08Å; C336-A340 HydrophobicContact CB-CB 3.78Å; S337-A340 WeakPolarHBondContact O-CB 3.36Å; S337-A340 PolarHBondContact O-N 2.93Å; S337-A340 WeakPolarHBondContact OG-CB 3.23Å; S337-A340 PolarHBondContact OG-N 2.65Å; A340-K342 VanDerWaalsContact C-N 3.3Å; A340-K342 PolarHBondContact O-N 3.47Å; A340-L343 PolarHBondContact O-N 3.47Å; A340-T344 PolarHBondContact O-N 3.11Å; A340-T344 PolarHBondContact O-OG1 2.8Å
341L94.6Very high93Very high0 Ų033.6 Ų33.60%016%0.156CC..Hα-helixtrans-56-45.9174.817668.6000111.6A329 L332 A333 S337 Y338 T344 Y345 I363 V366A329-L341 HydrophobicContact CB-CD1 3.86Å; A329-L341 HydrophobicContact CB-CD2 4.39Å; L332-L341 HydrophobicContact CB-CD1 4.38Å; L332-L341 HydrophobicContact CD2-CB 4.44Å; L332-L341 HydrophobicContact CD2-CD1 3.89Å; L332-L341 HydrophobicContact CG-CB 4.39Å; L332-L341 HydrophobicContact CG-CD1 4.36Å; A333-L341 HydrophobicContact CB-CB 4.27Å; A333-L341 HydrophobicContact CB-CD2 3.87Å; S337-L341 PolarHBondContact O-N 3Å; S337-L341 VanDerWaalsContact O-N 3.17Å; Y338-L341 HydrophobicContact CD2-CD2 4.43Å; Y338-L341 HydrophobicContact CE2-CD2 4.48Å; Y338-L341 PolarHBondContact O-N 3.24Å; L341-T344 PolarHBondContact O-N 3.29Å; L341-Y345 HydrophobicContact CD1-CD1 3.61Å; L341-Y345 HydrophobicContact CD1-CE1 3.26Å; L341-Y345 HydrophobicContact CG-CD1 4.13Å; L341-Y345 HydrophobicContact CG-CE1 4.09Å; L341-Y345 WeakPolarHBondContact O-CD1 3.48Å; L341-Y345 PolarHBondContact O-N 3.2Å; L341-I363 HydrophobicContact CD2-CG1 4.34Å; L341-V366 HydrophobicContact CD2-CB 3.95Å; L341-V366 HydrophobicContact CD2-CG1 3.62Å; L341-V366 HydrophobicContact CD2-CG2 4.08Å
342K93.3Very high93Very high67 Ų6732 Ų3229%0.29115%0.15SC..Hα-helixtrans-59.9-50.1-180-176.6-174.7171.5-1580111.6Y338 E339 A340 T344 Y345 E346 I363Y338-K342 VanDerWaalsContact O-CB 3.32Å; Y338-K342 WeakPolarHBondContact O-CB 3.5Å; Y338-K342 PolarHBondContact O-N 2.88Å; E339-K342 PolarHBondContact O-N 3.04Å; A340-K342 VanDerWaalsContact C-N 3.3Å; A340-K342 PolarHBondContact O-N 3.47Å; K342-T344 VanDerWaalsContact C-N 3.3Å; K342-T344 PolarHBondContact O-N 3.32Å; K342-Y345 PolarHBondContact O-N 3.07Å; K342-Y345 VanDerWaalsContact O-N 3.16Å; K342-E346 WeakPolarHBondContact CE-OE1 3.09Å; K342-E346 HydrophobicContact CG-CG 4.49Å; K342-E346 IonicContact NZ-OE1 3.26Å; K342-E346 WeakPolarHBondContact O-CG 3.41Å; K342-E346 PolarHBondContact O-N 2.95Å; K342-I363 VanDerWaalsContact CA-CD1 3.41Å; K342-I363 HydrophobicContact CB-CD1 3.52Å; K342-I363 HydrophobicContact CG-CD1 3.81Å
343L94.5Very high92.9Very high20 Ų2036 Ų3611%0.10517%0.169CC..Hα-helixtrans-59.2-43.6177.1177.661.5000111.3L263 F268 I271 E339 A340 Y345 E346 L347L263-L343 HydrophobicContact CD1-CD1 3.94Å; L263-L343 HydrophobicContact CD1-CD2 4.11Å; L263-L343 HydrophobicContact CD1-CG 4.48Å; L263-L343 HydrophobicContact CD2-CD1 3.59Å; L263-L343 HydrophobicContact CG-CD1 4.43Å; F268-L343 HydrophobicContact CD2-CD2 3.98Å; F268-L343 HydrophobicContact CE2-CD2 4.41Å; I271-L343 HydrophobicContact CD1-CD2 4.2Å; I271-L343 HydrophobicContact CG2-CD2 4.06Å; E339-L343 WeakPolarHBondContact O-CB 3.4Å; E339-L343 PolarHBondContact O-N 3.45Å; A340-L343 PolarHBondContact O-N 3.47Å; L343-Y345 VanDerWaalsContact C-N 3.33Å; L343-Y345 PolarHBondContact O-N 2.83Å; L343-E346 PolarHBondContact O-N 3.09Å; L343-L347 HydrophobicContact CD1-CD1 4.17Å; L343-L347 HydrophobicContact CD1-CG 4.22Å; L343-L347 HydrophobicContact CG-CD1 4.19Å; L343-L347 WeakPolarHBondContact O-CG 3.26Å; L343-L347 PolarHBondContact O-N 2.9Å
344T95.9Very high92.8Very high3 Ų338.8 Ų38.82%0.01818%0.181CC..Hα-helixtrans-60.5-42.4176-55.70000111.8L219 L220 L325 L332 A340 L341 K342 Y348L219-T344 HydrophobicContact CB-CG2 4.27Å; L220-T344 HydrophobicContact CD2-CG2 3.75Å; L325-T344 HydrophobicContact CD1-CG2 3.67Å; L325-T344 HydrophobicContact CD2-CG2 3.76Å; L325-T344 HydrophobicContact CG-CG2 4.39Å; L332-T344 HydrophobicContact CD2-CG2 4.45Å; A340-T344 PolarHBondContact O-N 3.11Å; A340-T344 PolarHBondContact O-OG1 2.8Å; L341-T344 PolarHBondContact O-N 3.29Å; K342-T344 VanDerWaalsContact C-N 3.3Å; K342-T344 PolarHBondContact O-N 3.32Å; T344-Y348 VanDerWaalsContact O-CB 3.3Å; T344-Y348 WeakPolarHBondContact O-CB 3.46Å; T344-Y348 PolarHBondContact O-N 2.83Å
345Y96.6Very high92.9Very high5 Ų533.9 Ų33.92%0.0216%0.157CC..Hα-helixtrans-66.9-42176.8-89.344.7000111.9L325 A329 L341 K342 L343 Y348 N349 L361 I363L325-Y345 HydrophobicContact CD1-CE1 4.14Å; L325-Y345 HydrophobicContact CD2-CD1 3.89Å; L325-Y345 HydrophobicContact CD2-CE1 3.93Å; L325-Y345 HydrophobicContact CG-CD1 4.12Å; L325-Y345 HydrophobicContact CG-CE1 3.66Å; A329-Y345 HydrophobicContact CB-CE1 4.3Å; A329-Y345 WeakPolarHBondContact CB-OH 3.25Å; L341-Y345 HydrophobicContact CD1-CD1 3.61Å; L341-Y345 HydrophobicContact CD1-CE1 3.26Å; L341-Y345 HydrophobicContact CG-CD1 4.13Å; L341-Y345 HydrophobicContact CG-CE1 4.09Å; L341-Y345 WeakPolarHBondContact O-CD1 3.48Å; L341-Y345 PolarHBondContact O-N 3.2Å; K342-Y345 PolarHBondContact O-N 3.07Å; K342-Y345 VanDerWaalsContact O-N 3.16Å; L343-Y345 VanDerWaalsContact C-N 3.33Å; L343-Y345 PolarHBondContact O-N 2.83Å; Y345-Y348 PolarHBondContact O-N 3.28Å; Y345-N349 WeakPolarHBondContact O-CB 3.05Å; Y345-N349 PolarHBondContact O-N 3.46Å; Y345-N349 PolarHBondContact O-ND2 3.27Å; Y345-L361 HydrophobicContact CD1-CD1 4.34Å; Y345-L361 HydrophobicContact CD2-CB 3.6Å; Y345-L361 HydrophobicContact CD2-CD1 4.4Å; Y345-L361 HydrophobicContact CE1-CD1 4.05Å; Y345-L361 HydrophobicContact CE2-CB 3.51Å; Y345-L361 HydrophobicContact CE2-CD1 4.16Å; Y345-L361 HydrophobicContact CE2-CG 4.46Å; Y345-L361 HydrophobicContact CG-CB 4.34Å; Y345-L361 HydrophobicContact CG-CD1 4.5Å; Y345-I363 HydrophobicContact CD2-CB 3.68Å; Y345-I363 HydrophobicContact CD2-CG1 4.04Å; Y345-I363 HydrophobicContact CE2-CB 4.16Å; Y345-I363 HydrophobicContact CE2-CG1 4.39Å; Y345-I363 HydrophobicContact CG-CB 4.43Å; Y345-I363 HydrophobicContact CG-CG1 4.46Å
346E95.2Very high92.6Very high93 Ų9328.8 Ų28.844%0.43515%0.147SC..Hα-helixtrans-60.3-46.6177.4-76.4178169.100111.5K342 L343 N349 A350K342-E346 WeakPolarHBondContact CE-OE1 3.09Å; K342-E346 HydrophobicContact CG-CG 4.49Å; K342-E346 IonicContact NZ-OE1 3.26Å; K342-E346 WeakPolarHBondContact O-CG 3.41Å; K342-E346 PolarHBondContact O-N 2.95Å; L343-E346 PolarHBondContact O-N 3.09Å; E346-N349 PolarHBondContact O-N 3.21Å; E346-A350 WeakPolarHBondContact O-CB 3.43Å; E346-A350 PolarHBondContact O-N 2.94Å
347L96.1Very high92.3Very high6 Ų630.8 Ų30.83%0.03116%0.161CC..Hα-helixtrans-68-43.4177.4-66.5172.5000111.9L219 M256 R259 F260 L263 L343 N349 A350 Y351L219-L347 HydrophobicContact CD2-CB 3.26Å; L219-L347 HydrophobicContact CD2-CD1 3.96Å; L219-L347 HydrophobicContact CD2-CG 4.27Å; M256-L347 HydrophobicContact CG-CB 4.42Å; M256-L347 WeakPolarHBondContact CG-O 3.45Å; R259-L347 HydrophobicContact CB-CD2 3.85Å; F260-L347 HydrophobicContact CB-CD2 4Å; F260-L347 HydrophobicContact CD2-CD1 3.88Å; L263-L347 HydrophobicContact CD1-CD1 4.27Å; L343-L347 HydrophobicContact CD1-CD1 4.17Å; L343-L347 HydrophobicContact CD1-CG 4.22Å; L343-L347 HydrophobicContact CG-CD1 4.19Å; L343-L347 WeakPolarHBondContact O-CG 3.26Å; L343-L347 PolarHBondContact O-N 2.9Å; L347-N349 VanDerWaalsContact C-N 3.32Å; L347-N349 PolarHBondContact O-N 3.31Å; L347-A350 WeakPolarHBondContact O-CB 3.46Å; L347-A350 PolarHBondContact O-N 3.16Å; L347-Y351 PolarHBondContact O-N 2.88Å
348Y96.8Very high92.3Very high2 Ų237.8 Ų37.81%0.00818%0.183CC..Hα-helixtrans-61.4-41.7174.9178.1-96.4000111.7I215 L219 P319 F321 G322 L325 T344 Y345 Y351 S352 C359 L361I215-Y348 HydrophobicContact CG2-CD2 4.27Å; L219-Y348 HydrophobicContact CD1-CD2 4.06Å; L219-Y348 HydrophobicContact CD1-CG 4.45Å; P319-Y348 HydrophobicContact CB-CE2 4.31Å; P319-Y348 PolarHBondContact O-OH 3.05Å; P319-Y348 VanDerWaalsContact O-OH 3.09Å; F321-Y348 HydrophobicContact CB-CE2 4.34Å; F321-Y348 AromaticContact CD1-CD2 3.86Å; F321-Y348 HydrophobicContact CD1-CD2 3.86Å; F321-Y348 HydrophobicContact CD1-CE2 4.04Å; G322-Y348 WeakPolarHBondContact CA-OH 3.33Å; G322-Y348 PolarHBondContact N-OH 3.15Å; L325-Y348 HydrophobicContact CD2-CG 4.1Å; T344-Y348 VanDerWaalsContact O-CB 3.3Å; T344-Y348 WeakPolarHBondContact O-CB 3.46Å; T344-Y348 PolarHBondContact O-N 2.83Å; Y345-Y348 PolarHBondContact O-N 3.28Å; Y348-Y351 CarbonylContact O-C 3.57Å; Y348-Y351 WeakPolarHBondContact O-CA 3.15Å; Y348-Y351 WeakPolarHBondContact O-CB 3.01Å; Y348-Y351 PolarHBondContact O-N 3.03Å; Y348-Y351 VanDerWaalsContact O-N 3.15Å; Y348-S352 VanDerWaalsContact CE1-CB 3.5Å; Y348-S352 WeakPolarHBondContact CE1-OG 3.44Å; Y348-S352 WeakPolarHBondContact O-CB 3.31Å; Y348-S352 PolarHBondContact O-N 2.79Å; Y348-S352 PolarHBondContact O-OG 2.88Å; Y348-C359 WeakPolarHBondContact CE1-O 3.09Å; Y348-L361 HydrophobicContact CD1-CD1 3.47Å; Y348-L361 VanDerWaalsContact CD1-CD1 3.47Å; Y348-L361 HydrophobicContact CD1-CG 3.6Å; Y348-L361 HydrophobicContact CE1-CD1 3.74Å; Y348-L361 HydrophobicContact CE1-CD2 4.22Å; Y348-L361 HydrophobicContact CE1-CG 3.58Å; Y348-L361 HydrophobicContact CG-CD1 4.21Å
349N95.8Very high92.4Very high29 Ų2936.2 Ų36.216%0.15518%0.177CC..Hα-helixtrans-70.1-33.8-178.9-73.7-15.1000112.2Y345 E346 L347 Y351 S352 Q353 V360 L361Y345-N349 WeakPolarHBondContact O-CB 3.05Å; Y345-N349 PolarHBondContact O-N 3.46Å; Y345-N349 PolarHBondContact O-ND2 3.27Å; E346-N349 PolarHBondContact O-N 3.21Å; L347-N349 VanDerWaalsContact C-N 3.32Å; L347-N349 PolarHBondContact O-N 3.31Å; N349-Y351 PolarHBondContact O-N 3.38Å; N349-S352 PolarHBondContact O-N 3.44Å; N349-Q353 VanDerWaalsContact O-CB 3.22Å; N349-Q353 WeakPolarHBondContact O-CB 3.31Å; N349-Q353 WeakPolarHBondContact O-CG 3.39Å; N349-Q353 PolarHBondContact O-N 3.14Å; N349-V360 HydrophobicContact CB-CG1 4.14Å; N349-L361 PolarHBondContact ND2-O 2.81Å; N349-L361 PolarHBondContact OD1-N 3.43Å
350A94.5Very high92.7Very high2 Ų235.7 Ų35.72%0.01718%0.178CC..Hα-helixtrans-58.6-37.2170.100000111.8E346 L347 Q353 H354E346-A350 WeakPolarHBondContact O-CB 3.43Å; E346-A350 PolarHBondContact O-N 2.94Å; L347-A350 WeakPolarHBondContact O-CB 3.46Å; L347-A350 PolarHBondContact O-N 3.16Å; A350-Q353 WeakPolarHBondContact O-CG 3.39Å; A350-Q353 PolarHBondContact O-NE2 3.06Å; A350-H354 PolarHBondContact O-CD2 2.85Å; A350-H354 VanDerWaalsContact O-CD2 3.28Å
351Y95Very high92.7Very high13 Ų1336.4 Ų36.45%0.05118%0.182CC..Hα-helixtrans-73.6-51.8172.1177.7-104000112.3I215 S252 L253 F300 P319 L347 Y348 N349 Q353 Y355I215-Y351 HydrophobicContact CD1-CD1 4.16Å; I215-Y351 HydrophobicContact CD1-CD2 3.73Å; I215-Y351 HydrophobicContact CD1-CE1 4.09Å; I215-Y351 HydrophobicContact CD1-CE2 3.72Å; I215-Y351 HydrophobicContact CD1-CG 3.99Å; I215-Y351 HydrophobicContact CG1-CD1 4.23Å; I215-Y351 HydrophobicContact CG1-CE1 3.84Å; I215-Y351 HydrophobicContact CG1-CE2 4.23Å; I215-Y351 HydrophobicContact CG2-CD1 4.45Å; S252-Y351 VanDerWaalsContact CB-CE2 3.49Å; S252-Y351 WeakPolarHBondContact CB-O 3.5Å; L253-Y351 HydrophobicContact CD2-CD2 4.47Å; L253-Y351 HydrophobicContact CD2-CE2 4.31Å; L253-Y351 HydrophobicContact CG-CE2 4.16Å; F300-Y351 HydrophobicContact CE1-CE2 4.35Å; F300-Y351 WeakPolarHBondContact CE1-OH 3.44Å; F300-Y351 AromaticContact CZ-CE2 3.82Å; F300-Y351 HydrophobicContact CZ-CE2 3.82Å; F300-Y351 AromaticContact CZ-CZ 3.83Å; F300-Y351 WeakPolarHBondContact CZ-OH 3.44Å; P319-Y351 HydrophobicContact CB-CD1 4.44Å; P319-Y351 HydrophobicContact CB-CE1 3.78Å; P319-Y351 HydrophobicContact CG-CD1 3.95Å; P319-Y351 HydrophobicContact CG-CE1 3.4Å; P319-Y351 VanDerWaalsContact CG-CE1 3.4Å; L347-Y351 PolarHBondContact O-N 2.88Å; Y348-Y351 CarbonylContact O-C 3.57Å; Y348-Y351 WeakPolarHBondContact O-CA 3.15Å; Y348-Y351 WeakPolarHBondContact O-CB 3.01Å; Y348-Y351 PolarHBondContact O-N 3.03Å; Y348-Y351 VanDerWaalsContact O-N 3.15Å; N349-Y351 PolarHBondContact O-N 3.38Å; Y351-Q353 PolarHBondContact O-N 3.1Å; Y351-Y355 HydrophobicContact CD1-CE2 4.38Å; Y351-Y355 AromaticContact CE1-CE2 3.88Å; Y351-Y355 HydrophobicContact CE1-CE2 3.88Å; Y351-Y355 HydrophobicContact CE2-CE2 4.17Å; Y351-Y355 AromaticContact CZ-CE2 3.73Å; Y351-Y355 PolarHBondContact OH-OH 2.69Å; Y351-Y355 VanDerWaalsContact OH-OH 3.06Å
352S94.1Very high92.5Very high0 Ų039.5 Ų39.50%020%0.199CC..Hα-helixtrans-76.7-22.4-167.476.50000114.5Y348 N349 H354 Y355 C359Y348-S352 VanDerWaalsContact CE1-CB 3.5Å; Y348-S352 WeakPolarHBondContact CE1-OG 3.44Å; Y348-S352 WeakPolarHBondContact O-CB 3.31Å; Y348-S352 PolarHBondContact O-N 2.79Å; Y348-S352 PolarHBondContact O-OG 2.88Å; N349-S352 PolarHBondContact O-N 3.44Å; S352-H354 PolarHBondContact O-N 2.92Å; S352-H354 VanDerWaalsContact O-N 3.16Å; S352-Y355 PolarHBondContact O-N 3.34Å; S352-C359 WeakPolarHBondContact CB-O 3.26Å; S352-C359 PolarHBondContact OG-O 2.82Å
353Q92.7Very high92.3Very high85 Ų8537.9 Ų37.940%0.39719%0.193SC..G310 helixtrans-58.2-29179.467.6-172.60.900112.9D255 N349 A350 Y351 Y355 G356 V360D255-Q353 PolarHBondContact OD2-NE2 3.21Å; N349-Q353 VanDerWaalsContact O-CB 3.22Å; N349-Q353 WeakPolarHBondContact O-CB 3.31Å; N349-Q353 WeakPolarHBondContact O-CG 3.39Å; N349-Q353 PolarHBondContact O-N 3.14Å; A350-Q353 WeakPolarHBondContact O-CG 3.39Å; A350-Q353 PolarHBondContact O-NE2 3.06Å; Y351-Q353 PolarHBondContact O-N 3.1Å; Q353-Y355 VanDerWaalsContact C-N 3.26Å; Q353-Y355 PolarHBondContact O-N 3.5Å; Q353-G356 PolarHBondContact O-N 2.82Å; Q353-G356 VanDerWaalsContact O-N 3.14Å; Q353-V360 HydrophobicContact CB-CG2 4.07Å
354H89.1Confident91.7Very high64 Ų6444.9 Ų44.930%0.29623%0.225SC..G310 helixtrans-66.1-30.2177.2-71.1-94.1000111.7L248 S252 A350 S352 G356L248-H354 HydrophobicContact CD1-CB 3.8Å; L248-H354 WeakPolarHBondContact CD1-O 3.49Å; L248-H354 HydrophobicContact CG-CB 4.31Å; S252-H354 WeakPolarHBondContact OG-CB 3.49Å; A350-H354 PolarHBondContact O-CD2 2.85Å; A350-H354 VanDerWaalsContact O-CD2 3.28Å; S352-H354 PolarHBondContact O-N 2.92Å; S352-H354 VanDerWaalsContact O-N 3.16Å; H354-G356 PolarHBondContact O-N 2.87Å
355Y87.9Confident91.1Very high19 Ų1951.8 Ų51.88%0.07526%0.255CS..G310 helixtrans-83.76.3176.6-58.1-92.7000113.1L248 S252 T314 P319 Y351 S352 Q353 C359L248-Y355 HydrophobicContact CD2-CD1 3.61Å; L248-Y355 HydrophobicContact CD2-CE1 3.65Å; L248-Y355 HydrophobicContact CD2-CG 4.21Å; L248-Y355 HydrophobicContact CG-CE1 4.32Å; S252-Y355 WeakPolarHBondContact OG-CE2 3.27Å; T314-Y355 WeakPolarHBondContact O-CD1 3.39Å; T314-Y355 VanDerWaalsContact O-CE1 3.29Å; T314-Y355 WeakPolarHBondContact O-CE1 3.41Å; P319-Y355 HydrophobicContact CG-CD2 3.9Å; P319-Y355 HydrophobicContact CG-CE2 4.06Å; P319-Y355 HydrophobicContact CG-CG 4.28Å; Y351-Y355 HydrophobicContact CD1-CE2 4.38Å; Y351-Y355 AromaticContact CE1-CE2 3.88Å; Y351-Y355 HydrophobicContact CE1-CE2 3.88Å; Y351-Y355 HydrophobicContact CE2-CE2 4.17Å; Y351-Y355 AromaticContact CZ-CE2 3.73Å; Y351-Y355 PolarHBondContact OH-OH 2.69Å; Y351-Y355 VanDerWaalsContact OH-OH 3.06Å; S352-Y355 PolarHBondContact O-N 3.34Å; Q353-Y355 VanDerWaalsContact C-N 3.26Å; Q353-Y355 PolarHBondContact O-N 3.5Å; Y355-C359 PolarHBondContact O-SG 3.48Å; Y355-C359 VanDerWaalsContact O-SG 3.4Å
356G84.8Confident90.4Very high29 Ų2952.2 Ų52.230%0.29926%0.258SS..  trans105.4155177.400000113.8Q353 H354 R358 C359Q353-G356 PolarHBondContact O-N 2.82Å; Q353-G356 VanDerWaalsContact O-N 3.14Å; H354-G356 PolarHBondContact O-N 2.87Å; G356-R358 PolarHBondContact O-N 3.38Å; G356-C359 WeakPolarHBondContact O-CB 3.46Å; G356-C359 PolarHBondContact O-N 3.5Å
357S85.3Confident89.4Confident72 Ų7255 Ų5550%0.50327%0.271SS..G310 helixtrans-57.7-24.5-174.457.80000114.9R135 C359 V360R135-S357 PolarHBondContact NH2-OG 3.45Å; S357-C359 PolarHBondContact O-N 3.32Å; S357-V360 WeakPolarHBondContact O-CB 3.15Å; S357-V360 PolarHBondContact O-N 2.76Å
358R87.8Confident88.3Confident180 Ų18057.5 Ų57.568%0.67928%0.28SS*.G310 helixtrans-69-15.8175.365.5176.8-179.9171.81114.2R316 G356R316-R358 PolarHBondContact O-NH2 2.94Å; G356-R358 PolarHBondContact O-N 3.38Å
359C91.3Very high86.9Confident5 Ų558.9 Ų58.93%0.03429%0.289CS..G310 helixtrans-94.4-7.5179.9-52.60000112.7C318 Y348 S352 Y355 G356 S357C318-C359 WeakPolarHBondContact CA-SG 3.13Å; C318-C359 HydrophobicContact CB-CB 3.61Å; C318-C359 WeakPolarHBondContact CB-SG 3.3Å; C318-C359 WeakPolarHBondContact SG-CA 3.13Å; C318-C359 WeakPolarHBondContact SG-CB 3.22Å; C318-C359 CovalentContact SG-SG 2.04Å; C318-C359 PolarHBondContact SG-SG 3.47Å; Y348-C359 WeakPolarHBondContact CE1-O 3.09Å; S352-C359 WeakPolarHBondContact CB-O 3.26Å; S352-C359 PolarHBondContact OG-O 2.82Å; Y355-C359 PolarHBondContact O-SG 3.48Å; Y355-C359 VanDerWaalsContact O-SG 3.4Å; G356-C359 WeakPolarHBondContact O-CB 3.46Å; G356-C359 PolarHBondContact O-N 3.5Å; S357-C359 PolarHBondContact O-N 3.32Å
360V93.1Very high85.5Confident55 Ų5562.8 Ų62.833%0.33332%0.316SS..SBendtrans-74.7126.5175.6179.60000108.5N349 Q353 S357N349-V360 HydrophobicContact CB-CG1 4.14Å; Q353-V360 HydrophobicContact CB-CG2 4.07Å; S357-V360 WeakPolarHBondContact O-CB 3.15Å; S357-V360 PolarHBondContact O-N 2.76Å
361L92.6Very high84.4Confident16 Ų1665.7 Ų65.78%0.08433%0.334CS..  trans-78.6136.7174.8-58.7-179.8000110.2L325 Q326 Y345 Y348 N349L325-L361 HydrophobicContact CB-CD1 4.15Å; L325-L361 HydrophobicContact CD2-CD1 3.61Å; L325-L361 HydrophobicContact CG-CD1 3.95Å; Q326-L361 HydrophobicContact CB-CD2 4.46Å; Y345-L361 HydrophobicContact CD1-CD1 4.34Å; Y345-L361 HydrophobicContact CD2-CB 3.6Å; Y345-L361 HydrophobicContact CD2-CD1 4.4Å; Y345-L361 HydrophobicContact CE1-CD1 4.05Å; Y345-L361 HydrophobicContact CE2-CB 3.51Å; Y345-L361 HydrophobicContact CE2-CD1 4.16Å; Y345-L361 HydrophobicContact CE2-CG 4.46Å; Y345-L361 HydrophobicContact CG-CB 4.34Å; Y345-L361 HydrophobicContact CG-CD1 4.5Å; Y348-L361 HydrophobicContact CD1-CD1 3.47Å; Y348-L361 VanDerWaalsContact CD1-CD1 3.47Å; Y348-L361 HydrophobicContact CD1-CG 3.6Å; Y348-L361 HydrophobicContact CE1-CD1 3.74Å; Y348-L361 HydrophobicContact CE1-CD2 4.22Å; Y348-L361 HydrophobicContact CE1-CG 3.58Å; Y348-L361 HydrophobicContact CG-CD1 4.21Å; N349-L361 PolarHBondContact ND2-O 2.81Å; N349-L361 PolarHBondContact OD1-N 3.43Å
362D90.4Very high83.3Confident64 Ų6471.1 Ų71.134%0.34237%0.368SS..  trans-98.8106.5176.1-179.96.5000109.6Q364 K365D362-Q364 PolarHBondContact O-N 2.82Å; D362-Q364 VanDerWaalsContact OD1-CB 3.26Å; D362-Q364 WeakPolarHBondContact OD1-CB 3.39Å; D362-Q364 WeakPolarHBondContact OD1-CG 3.2Å; D362-Q364 PolarHBondContact OD1-N 2.8Å; D362-K365 HydrophobicContact CB-CD 4.1Å; D362-K365 HydrophobicContact CB-CG 4.17Å; D362-K365 PolarHBondContact O-N 3.39Å; D362-K365 WeakPolarHBondContact OD2-CE 3.27Å
363I88.5Confident82.7Confident34 Ų3471.8 Ų71.817%0.17437%0.373CS..G310 helixtrans-65-24.6179-160.8-179.7000112.3Y338 L341 K342 Y345 K365 V366Y338-I363 HydrophobicContact CE1-CD1 3.99Å; Y338-I363 HydrophobicContact CE2-CD1 4.35Å; Y338-I363 HydrophobicContact CE2-CG1 4.34Å; L341-I363 HydrophobicContact CD2-CG1 4.34Å; K342-I363 VanDerWaalsContact CA-CD1 3.41Å; K342-I363 HydrophobicContact CB-CD1 3.52Å; K342-I363 HydrophobicContact CG-CD1 3.81Å; Y345-I363 HydrophobicContact CD2-CB 3.68Å; Y345-I363 HydrophobicContact CD2-CG1 4.04Å; Y345-I363 HydrophobicContact CE2-CB 4.16Å; Y345-I363 HydrophobicContact CE2-CG1 4.39Å; Y345-I363 HydrophobicContact CG-CB 4.43Å; Y345-I363 HydrophobicContact CG-CG1 4.46Å; I363-K365 PolarHBondContact O-N 3.3Å; I363-K365 VanDerWaalsContact O-N 3.15Å; I363-V366 WeakPolarHBondContact O-CB 3.3Å; I363-V366 PolarHBondContact O-N 3.41Å
364Q81.7Confident82.3Confident166 Ų16671.4 Ų71.478%0.77638%0.376SS*.G310 helixtrans-66.2-19.2-178.6-57.8-174.5-3.400112.3D362 V366D362-Q364 PolarHBondContact O-N 2.82Å; D362-Q364 VanDerWaalsContact OD1-CB 3.26Å; D362-Q364 WeakPolarHBondContact OD1-CB 3.39Å; D362-Q364 WeakPolarHBondContact OD1-CG 3.2Å; D362-Q364 PolarHBondContact OD1-N 2.8Å; Q364-V366 PolarHBondContact O-N 3.24Å
365K83Confident82Confident149 Ų14973.3 Ų73.365%0.64839%0.392SS*.G310 helixtrans-73.4-13.2173.9-63.5-178.8-177.9175.70113.1D362 I363D362-K365 HydrophobicContact CB-CD 4.1Å; D362-K365 HydrophobicContact CB-CG 4.17Å; D362-K365 PolarHBondContact O-N 3.39Å; D362-K365 WeakPolarHBondContact OD2-CE 3.27Å; I363-K365 PolarHBondContact O-N 3.3Å; I363-K365 VanDerWaalsContact O-N 3.15Å
366V83.2Confident81.9Confident14 Ų1479.6 Ų79.69%0.08542%0.42CS..SBendtrans-95.3116.3177.1-170.60000107.6A329 L341 I363 Q364 R368A329-V366 HydrophobicContact CB-CG1 4.28Å; A329-V366 HydrophobicContact CB-CG2 3.65Å; L341-V366 HydrophobicContact CD2-CB 3.95Å; L341-V366 HydrophobicContact CD2-CG1 3.62Å; L341-V366 HydrophobicContact CD2-CG2 4.08Å; I363-V366 WeakPolarHBondContact O-CB 3.3Å; I363-V366 PolarHBondContact O-N 3.41Å; Q364-V366 PolarHBondContact O-N 3.24Å; V366-R368 PolarHBondContact O-N 3.24Å
367Q74.2Confident82Confident152 Ų15280 Ų8071%0.7141%0.414SS*.  trans-65.5112.9177.7-171.8170.616.800108.2Q330 P369Q330-Q367 PolarHBondContact OE1-O 2.91Å; Q367-P369 VanDerWaalsContact O-CD 3.27Å; Q367-P369 WeakPolarHBondContact O-CD 3.4Å; Q367-P369 VanDerWaalsContact O-N 3.1Å
368R72.8Confident82Confident58 Ų5877.3 Ų77.322%0.21939%0.394CS..  trans-56.2120.1171.6-175.7178.6-115.5-162.1-14.3107.2Y338 E339 V366 E428Y338-R368 HydrophobicContact CD1-CG 4.32Å; Y338-R368 HydrophobicContact CD2-CB 3.78Å; Y338-R368 HydrophobicContact CD2-CG 3.73Å; Y338-R368 HydrophobicContact CE2-CB 3.77Å; Y338-R368 HydrophobicContact CE2-CG 4.17Å; Y338-R368 HydrophobicContact CG-CB 4.34Å; Y338-R368 HydrophobicContact CG-CG 3.8Å; E339-R368 IonicContact OE1-CZ 2.77Å; E339-R368 IonicContact OE1-NH2 2.71Å; E339-R368 PolarHBondContact OE1-NH2 2.71Å; V366-R368 PolarHBondContact O-N 3.24Å; R368-E428 IonicContact CZ-OE2 2.88Å; R368-E428 VanDerWaalsContact CZ-OE2 3.23Å; R368-E428 IonicContact NH1-OE2 3.65Å; R368-E428 PolarHBondContact NH1-OE2 2.81Å; R368-E428 IonicContact NH2-OE2 3.01Å; R368-E428 PolarHBondContact NH2-OE2 2.87Å
369P67.8Low82Confident31 Ų3175.6 Ų75.620%0.20139%0.392CS..  trans-55.4131.9175.9-22.932.5000108.3A333 E334 Q367 V371A333-P369 HydrophobicContact CB-CG 4.38Å; E334-P369 HydrophobicContact CG-CG 3.83Å; Q367-P369 VanDerWaalsContact O-CD 3.27Å; Q367-P369 WeakPolarHBondContact O-CD 3.4Å; Q367-P369 VanDerWaalsContact O-N 3.1Å; P369-V371 PolarHBondContact O-N 3.38Å
370P66.6Low81.9Confident111 Ų11179.1 Ų79.172%0.72141%0.407SS*.  trans-61.3111.7175.824.6-31.6000108V372P370-V372 VanDerWaalsContact C-N 3.35Å; P370-V372 HydrophobicContact CB-CG2 4.43Å; P370-V372 PolarHBondContact O-N 3.38Å; P370-V372 VanDerWaalsContact O-N 3.09Å
371V70.5Confident81.8Confident63 Ų6376.5 Ų76.538%0.38239%0.392SS..  trans-81.889.6175.6-177.80000106.6P369 C425 T426 E428P369-V371 PolarHBondContact O-N 3.38Å; V371-C425 WeakPolarHBondContact CG1-SG 3.4Å; V371-T426 WeakPolarHBondContact CG1-O 3.32Å; V371-E428 HydrophobicContact CB-CB 4.34Å; V371-E428 HydrophobicContact CG2-CB 4.44Å
372V72Confident81.6Confident127 Ų12778 Ų7877%0.7740%0.4SS*.  trans-90.3104.8172.4-1750000107.4P370P370-V372 VanDerWaalsContact C-N 3.35Å; P370-V372 HydrophobicContact CB-CG2 4.43Å; P370-V372 PolarHBondContact O-N 3.38Å; P370-V372 VanDerWaalsContact O-N 3.09Å
373C80.9Confident81.7Confident14 Ų1478.7 Ų78.710%0.09541%0.406CS..  trans-72.8149.7172.9-63.40000110.5E377 D378 C425 T426C373-E377 HydrophobicContact CB-CB 4.08Å; C373-D378 WeakPolarHBondContact CB-OD1 3.22Å; C373-C425 WeakPolarHBondContact CA-SG 3.47Å; C373-C425 HydrophobicContact CB-CB 3.9Å; C373-C425 WeakPolarHBondContact CB-SG 3.42Å; C373-C425 WeakPolarHBondContact SG-CB 3.5Å; C373-C425 CovalentContact SG-SG 2.04Å; C373-C425 PolarHBondContact SG-SG 3.47Å; C373-T426 PolarHBondContact SG-N 3.49Å
374T84.6Confident81.9Confident76 Ų7677.1 Ų77.147%0.46640%0.398SS..  trans-72.6155169.864.10000109.6K376 E377 D378T374-K376 PolarHBondContact O-N 3.26Å; T374-E377 WeakPolarHBondContact CB-OE2 3.4Å; T374-E377 WeakPolarHBondContact CG2-OE2 3.49Å; T374-E377 PolarHBondContact N-OE2 2.83Å; T374-E377 WeakPolarHBondContact O-CA 3.13Å; T374-E377 WeakPolarHBondContact O-CB 3.4Å; T374-E377 PolarHBondContact O-N 3.4Å; T374-E377 VanDerWaalsContact OG1-CD 3.29Å; T374-E377 WeakPolarHBondContact OG1-CG 3.44Å; T374-E377 PolarHBondContact OG1-N 3.36Å; T374-E377 PolarHBondContact OG1-OE2 2.92Å; T374-D378 PolarHBondContact O-N 2.99Å
375T82.2Confident82.4Confident105 Ų10569.8 Ų69.864%0.64436%0.364SS*.Hα-helixtrans-55.5-24.6176-41.80000113.3K379T375-K379 WeakPolarHBondContact O-CG 3.49Å; T375-K379 PolarHBondContact O-N 3.35Å
376K87.1Confident82.8Confident150 Ų15066.1 Ų66.165%0.65235%0.352SS*.Hα-helixtrans-73.1-43.1174.4-176.8-177.1174.2-172.80111.4T374 K379 Q380T374-K376 PolarHBondContact O-N 3.26Å; K376-K379 PolarHBondContact O-N 3.33Å; K376-Q380 WeakPolarHBondContact O-CG 3.44Å; K376-Q380 PolarHBondContact O-N 2.79Å
377E87.4Confident83.2Confident39 Ų3968.4 Ų68.418%0.18236%0.361CS..Hα-helixtrans-68.5-38.6177.7-70.5159.5145.600111C373 T374 K379 Q380 F381 C425C373-E377 HydrophobicContact CB-CB 4.08Å; T374-E377 WeakPolarHBondContact CB-OE2 3.4Å; T374-E377 WeakPolarHBondContact CG2-OE2 3.49Å; T374-E377 PolarHBondContact N-OE2 2.83Å; T374-E377 WeakPolarHBondContact O-CA 3.13Å; T374-E377 WeakPolarHBondContact O-CB 3.4Å; T374-E377 PolarHBondContact O-N 3.4Å; T374-E377 VanDerWaalsContact OG1-CD 3.29Å; T374-E377 WeakPolarHBondContact OG1-CG 3.44Å; T374-E377 PolarHBondContact OG1-N 3.36Å; T374-E377 PolarHBondContact OG1-OE2 2.92Å; E377-K379 VanDerWaalsContact C-N 3.28Å; E377-K379 PolarHBondContact O-N 3.33Å; E377-Q380 WeakPolarHBondContact O-CB 3.32Å; E377-Q380 PolarHBondContact O-N 3.33Å; E377-F381 PolarHBondContact O-N 3.34Å; E377-C425 HydrophobicContact CB-CB 4Å; E377-C425 VanDerWaalsContact CD-CB 3.48Å; E377-C425 HydrophobicContact CG-CB 4.08Å
378D84.2Confident84.2Confident14 Ų1461.1 Ų61.18%0.07533%0.327CS..Hα-helixtrans-58.5-40.9173.2-66.1-27.8000111.8C373 T374 Q380 F381 N382C373-D378 WeakPolarHBondContact CB-OD1 3.22Å; T374-D378 PolarHBondContact O-N 2.99Å; D378-Q380 VanDerWaalsContact C-N 3.33Å; D378-Q380 PolarHBondContact O-N 3.03Å; D378-F381 WeakPolarHBondContact O-CB 3.34Å; D378-F381 PolarHBondContact O-N 2.77Å; D378-N382 VanDerWaalsContact O-CG 3.26Å; D378-N382 PolarHBondContact O-N 3.16Å
379K87.1Confident85Confident145 Ų14561.2 Ų61.263%0.6333%0.332SS*.Hα-helixtrans-63.7-39.1175-75.9177.8-179.4-173.70112.3T375 K376 E377 N382 T383T375-K379 WeakPolarHBondContact O-CG 3.49Å; T375-K379 PolarHBondContact O-N 3.35Å; K376-K379 PolarHBondContact O-N 3.33Å; E377-K379 VanDerWaalsContact C-N 3.28Å; E377-K379 PolarHBondContact O-N 3.33Å; K379-N382 PolarHBondContact O-N 3.28Å; K379-T383 PolarHBondContact O-N 2.84Å; K379-T383 VanDerWaalsContact O-N 3.09Å; K379-T383 PolarHBondContact O-OG1 3.42Å; K379-T383 VanDerWaalsContact O-OG1 3.1Å
380Q90.2Very high86.1Confident78 Ų7865.7 Ų65.736%0.36435%0.348SS..Hα-helixtrans-68-38.6176.1-66.4177-38.500111.4K376 E377 D378 T383 C384 L423K376-Q380 WeakPolarHBondContact O-CG 3.44Å; K376-Q380 PolarHBondContact O-N 2.79Å; E377-Q380 WeakPolarHBondContact O-CB 3.32Å; E377-Q380 PolarHBondContact O-N 3.33Å; D378-Q380 VanDerWaalsContact C-N 3.33Å; D378-Q380 PolarHBondContact O-N 3.03Å; Q380-T383 WeakPolarHBondContact O-CB 3.14Å; Q380-T383 PolarHBondContact O-N 2.87Å; Q380-C384 PolarHBondContact O-N 3.33Å; Q380-L423 HydrophobicContact CB-CD2 3.55Å
381F90.4Very high87.4Confident1 Ų162.9 Ų62.90%0.00433%0.325CS..Hα-helixtrans-60-44.7172.5178.4-98.8000112.1E377 D378 T383 C384 H385 L420 L423 T426 P427 Y430 T431E377-F381 PolarHBondContact O-N 3.34Å; D378-F381 WeakPolarHBondContact O-CB 3.34Å; D378-F381 PolarHBondContact O-N 2.77Å; F381-T383 VanDerWaalsContact C-N 3.28Å; F381-T383 PolarHBondContact O-N 2.93Å; F381-C384 VanDerWaalsContact O-CB 3.3Å; F381-C384 WeakPolarHBondContact O-CB 3.2Å; F381-C384 PolarHBondContact O-N 3.41Å; F381-H385 PolarHBondContact O-N 3.14Å; F381-H385 VanDerWaalsContact O-N 3.13Å; F381-L420 HydrophobicContact CD2-CD2 3.63Å; F381-L420 HydrophobicContact CE2-CD2 3.52Å; F381-L423 HydrophobicContact CB-CD1 3.98Å; F381-L423 HydrophobicContact CD2-CD1 3.98Å; F381-T426 HydrophobicContact CD2-CG2 4.4Å; F381-P427 HydrophobicContact CD1-CG 3.64Å; F381-P427 HydrophobicContact CD2-CG 4.12Å; F381-P427 HydrophobicContact CE1-CG 3.62Å; F381-P427 HydrophobicContact CE2-CG 4.1Å; F381-P427 HydrophobicContact CG-CG 3.89Å; F381-P427 HydrophobicContact CZ-CG 3.85Å; F381-Y430 AromaticContact CE1-CD1 3.72Å; F381-Y430 HydrophobicContact CE1-CD1 3.72Å; F381-Y430 AromaticContact CE1-CE1 3.46Å; F381-Y430 HydrophobicContact CE1-CE1 3.46Å; F381-Y430 VanDerWaalsContact CE1-CE1 3.46Å; F381-Y430 AromaticContact CZ-CD1 3.56Å; F381-Y430 HydrophobicContact CZ-CD1 3.56Å; F381-Y430 AromaticContact CZ-CE1 3.44Å; F381-Y430 HydrophobicContact CZ-CE1 3.44Å; F381-Y430 VanDerWaalsContact CZ-CE1 3.44Å; F381-T431 HydrophobicContact CE2-CG2 3.99Å; F381-T431 WeakPolarHBondContact CE2-OG1 3.48Å; F381-T431 WeakPolarHBondContact CZ-OG1 3.39Å
382N89.1Confident88.2Confident48 Ų4861.2 Ų61.226%0.25732%0.321SS..Hα-helixtrans-62.2-36.1176.2-70.5-14.6000111.9D378 K379 C384 H385 D386D378-N382 VanDerWaalsContact O-CG 3.26Å; D378-N382 PolarHBondContact O-N 3.16Å; K379-N382 PolarHBondContact O-N 3.28Å; N382-C384 VanDerWaalsContact C-N 3.29Å; N382-C384 PolarHBondContact O-N 3.4Å; N382-H385 CarbonylContact O-C 3.48Å; N382-H385 WeakPolarHBondContact O-CA 3.31Å; N382-H385 WeakPolarHBondContact O-CB 3.49Å; N382-H385 PolarHBondContact O-N 3.16Å; N382-D386 VanDerWaalsContact O-CG 3.27Å; N382-D386 PolarHBondContact O-N 3.39Å
383T91.9Very high89.1Confident78 Ų7855.6 Ų55.648%0.47929%0.286SS..Hα-helixtrans-60.8-36.2172.2-54.50000112.4K379 Q380 F381 H385 D386K379-T383 PolarHBondContact O-N 2.84Å; K379-T383 VanDerWaalsContact O-N 3.09Å; K379-T383 PolarHBondContact O-OG1 3.42Å; K379-T383 VanDerWaalsContact O-OG1 3.1Å; Q380-T383 WeakPolarHBondContact O-CB 3.14Å; Q380-T383 PolarHBondContact O-N 2.87Å; F381-T383 VanDerWaalsContact C-N 3.28Å; F381-T383 PolarHBondContact O-N 2.93Å; T383-H385 VanDerWaalsContact C-N 3.33Å; T383-D386 PolarHBondContact O-N 2.99Å
384C93.5Very high89.4Confident0 Ų055.6 Ų55.60%029%0.285CS..Hα-helixtrans-63.5-42.6171.8-560000111Q380 F381 N382 D386 E387 Y416 C419 L420Q380-C384 PolarHBondContact O-N 3.33Å; F381-C384 VanDerWaalsContact O-CB 3.3Å; F381-C384 WeakPolarHBondContact O-CB 3.2Å; F381-C384 PolarHBondContact O-N 3.41Å; N382-C384 VanDerWaalsContact C-N 3.29Å; N382-C384 PolarHBondContact O-N 3.4Å; C384-D386 VanDerWaalsContact C-N 3.32Å; C384-D386 PolarHBondContact O-N 3.36Å; C384-E387 WeakPolarHBondContact O-CB 3.39Å; C384-E387 PolarHBondContact O-N 3.38Å; C384-Y416 HydrophobicContact CB-CD2 4.03Å; C384-Y416 HydrophobicContact CB-CE2 4.04Å; C384-Y416 WeakPolarHBondContact O-CD2 3.34Å; C384-C419 WeakPolarHBondContact CA-SG 3.37Å; C384-C419 HydrophobicContact CB-CB 3.7Å; C384-C419 WeakPolarHBondContact CB-SG 3.45Å; C384-C419 WeakPolarHBondContact SG-CB 3.36Å; C384-C419 CovalentContact SG-SG 2.03Å; C384-C419 PolarHBondContact SG-SG 3.32Å; C384-L420 HydrophobicContact CB-CD2 4.17Å
385H90.9Very high89.3Confident13 Ų1354.2 Ų54.26%0.0627%0.273CS..Hα-helixtrans-65.7-33.8179.6-158.771.5000112.9F381 N382 T383 E387 L388 L389 M393 F434F381-H385 PolarHBondContact O-N 3.14Å; F381-H385 VanDerWaalsContact O-N 3.13Å; N382-H385 CarbonylContact O-C 3.48Å; N382-H385 WeakPolarHBondContact O-CA 3.31Å; N382-H385 WeakPolarHBondContact O-CB 3.49Å; N382-H385 PolarHBondContact O-N 3.16Å; T383-H385 VanDerWaalsContact C-N 3.33Å; H385-E387 PolarHBondContact O-N 3.42Å; H385-L388 WeakPolarHBondContact O-CB 3.41Å; H385-L388 PolarHBondContact O-N 3.44Å; H385-L389 PolarHBondContact O-N 2.94Å; H385-M393 WeakPolarHBondContact CE1-CE 3.4Å; H385-M393 WeakPolarHBondContact NE2-CE 3.46Å; H385-F434 AromaticContact CE1-CE2 3.67Å; H385-F434 AromaticContact CE1-CZ 3.85Å
386D91.2Very high89.4Confident72 Ų7249.3 Ų49.339%0.38524%0.242SC..Hα-helixtrans-57.1-32175.4-67.9-26.8000112.3N382 T383 C384 L388 L389 K390N382-D386 VanDerWaalsContact O-CG 3.27Å; N382-D386 PolarHBondContact O-N 3.39Å; T383-D386 PolarHBondContact O-N 2.99Å; C384-D386 VanDerWaalsContact C-N 3.32Å; C384-D386 PolarHBondContact O-N 3.36Å; D386-L388 VanDerWaalsContact C-N 3.28Å; D386-L388 PolarHBondContact O-N 3.45Å; D386-L389 PolarHBondContact O-N 3.39Å; D386-K390 VanDerWaalsContact O-CG 3.26Å; D386-K390 WeakPolarHBondContact O-CG 3.19Å; D386-K390 PolarHBondContact O-N 3.29Å
387E93.4Very high89.3Confident61 Ų6142.2 Ų42.229%0.28521%0.212SC..Hα-helixtrans-61.3-37.1174.3-65.9-54.813700112.3C384 H385 K390 T411C384-E387 WeakPolarHBondContact O-CB 3.39Å; C384-E387 PolarHBondContact O-N 3.38Å; H385-E387 PolarHBondContact O-N 3.42Å; E387-K390 IonicContact OE1-NZ 3.86Å; E387-K390 PolarHBondContact OE1-NZ 3.27Å; E387-K390 IonicContact OE2-NZ 3.47Å; E387-T411 HydrophobicContact CB-CG2 3.98Å
388L93.6Very high89.1Confident0 Ų040.4 Ų40.40%020%0.203CC..Hα-helixtrans-75.8-39.7176.5-58.8177.2000111.4H385 D386 K390 Q391 M393 L408 T411 F412 Y416 F434H385-L388 WeakPolarHBondContact O-CB 3.41Å; H385-L388 PolarHBondContact O-N 3.44Å; D386-L388 VanDerWaalsContact C-N 3.28Å; D386-L388 PolarHBondContact O-N 3.45Å; L388-K390 VanDerWaalsContact C-N 3.28Å; L388-K390 PolarHBondContact O-N 2.78Å; L388-Q391 CarbonylContact O-C 3.41Å; L388-Q391 WeakPolarHBondContact O-CA 3.46Å; L388-Q391 WeakPolarHBondContact O-CB 3.24Å; L388-Q391 PolarHBondContact O-N 3.45Å; L388-M393 HydrophobicContact CB-CB 4.12Å; L388-M393 HydrophobicContact CB-CG 4.39Å; L388-M393 HydrophobicContact CB-SD 3.69Å; L388-M393 HydrophobicContact CD1-SD 4.02Å; L388-M393 VanDerWaalsContact O-CB 3.31Å; L388-M393 WeakPolarHBondContact O-CB 3.44Å; L388-M393 PolarHBondContact O-N 3.5Å; L388-L408 HydrophobicContact CB-CD1 4.05Å; L388-L408 HydrophobicContact CD2-CD1 3.92Å; L388-T411 HydrophobicContact CD2-CG2 3.94Å; L388-F412 HydrophobicContact CD2-CB 4.02Å; L388-Y416 HydrophobicContact CD1-CD1 4.14Å; L388-Y416 HydrophobicContact CD1-CD2 3.56Å; L388-Y416 HydrophobicContact CD1-CE1 4.26Å; L388-Y416 HydrophobicContact CD1-CE2 3.71Å; L388-Y416 HydrophobicContact CD1-CG 3.79Å; L388-Y416 HydrophobicContact CD2-CD2 4.46Å; L388-Y416 HydrophobicContact CD2-CG 4.18Å; L388-Y416 HydrophobicContact CG-CD2 3.83Å; L388-Y416 HydrophobicContact CG-CE2 4.42Å; L388-Y416 HydrophobicContact CG-CG 4.04Å; L388-F434 HydrophobicContact CD1-CE1 3.46Å; L388-F434 VanDerWaalsContact CD1-CE1 3.46Å; L388-F434 HydrophobicContact CD1-CZ 3.49Å; L388-F434 VanDerWaalsContact CD1-CZ 3.49Å
389L90.7Very high89Confident60 Ų6039.9 Ų39.931%0.31420%0.2SC..Hα-helixtrans-60.9-36.9176.2-67.9174.5000111.9H385 D386 Q391 G392 M393H385-L389 PolarHBondContact O-N 2.94Å; D386-L389 PolarHBondContact O-N 3.39Å; L389-Q391 PolarHBondContact O-N 3.01Å; L389-G392 PolarHBondContact O-N 3.28Å; L389-M393 HydrophobicContact CD2-CE 3.47Å; L389-M393 VanDerWaalsContact CD2-CE 3.47Å; L389-M393 HydrophobicContact CG-CE 4.09Å
390K91.3Very high88.8Confident125 Ų12533.2 Ų33.254%0.54317%0.173SC..Hα-helixtrans-57.6-30.6171.9-71.7168.1-165.5173.50112.6D386 E387 L388 G392D386-K390 VanDerWaalsContact O-CG 3.26Å; D386-K390 WeakPolarHBondContact O-CG 3.19Å; D386-K390 PolarHBondContact O-N 3.29Å; E387-K390 IonicContact OE1-NZ 3.86Å; E387-K390 PolarHBondContact OE1-NZ 3.27Å; E387-K390 IonicContact OE2-NZ 3.47Å; L388-K390 VanDerWaalsContact C-N 3.28Å; L388-K390 PolarHBondContact O-N 2.78Å; K390-G392 PolarHBondContact O-N 3.02Å
391Q92.7Very high88.6Confident51 Ų5132.6 Ų32.624%0.23817%0.172CC..THydrogen-bonded Turntrans-84.88.5175.4-56.1-51.9-44.200113.5L388 L389 K404 S407 L408 T411L388-Q391 CarbonylContact O-C 3.41Å; L388-Q391 WeakPolarHBondContact O-CA 3.46Å; L388-Q391 WeakPolarHBondContact O-CB 3.24Å; L388-Q391 PolarHBondContact O-N 3.45Å; L389-Q391 PolarHBondContact O-N 3.01Å; Q391-K404 WeakPolarHBondContact O-CB 3.46Å; Q391-K404 VanDerWaalsContact O-CD 3.23Å; Q391-K404 WeakPolarHBondContact O-CD 3.33Å; Q391-S407 PolarHBondContact OE1-OG 3.27Å; Q391-L408 HydrophobicContact CB-CB 4.03Å; Q391-L408 HydrophobicContact CB-CD1 3.95Å; Q391-T411 HydrophobicContact CG-CG2 4.21Å; Q391-T411 WeakPolarHBondContact CG-OG1 3.46Å
392G88Confident88.4Confident28 Ų2834 Ų3429%0.28918%0.182SC..THydrogen-bonded Turntrans74.929.2178.900000113.2L389 K390 N394 G400L389-G392 PolarHBondContact O-N 3.28Å; K390-G392 PolarHBondContact O-N 3.02Å; G392-N394 PolarHBondContact O-N 3.1Å; G392-G400 WeakPolarHBondContact O-CA 3.05Å; G392-G400 PolarHBondContact O-N 3.14Å
393M90Very high88.4Confident10 Ų1039.6 Ų39.65%0.04921%0.206CC..  trans-58.5126.4167.3-168.4-15969.800109.5H385 L388 L389 F398 L408 F434H385-M393 WeakPolarHBondContact CE1-CE 3.4Å; H385-M393 WeakPolarHBondContact NE2-CE 3.46Å; L388-M393 HydrophobicContact CB-CB 4.12Å; L388-M393 HydrophobicContact CB-CG 4.39Å; L388-M393 HydrophobicContact CB-SD 3.69Å; L388-M393 HydrophobicContact CD1-SD 4.02Å; L388-M393 VanDerWaalsContact O-CB 3.31Å; L388-M393 WeakPolarHBondContact O-CB 3.44Å; L388-M393 PolarHBondContact O-N 3.5Å; L389-M393 HydrophobicContact CD2-CE 3.47Å; L389-M393 VanDerWaalsContact CD2-CE 3.47Å; L389-M393 HydrophobicContact CG-CE 4.09Å; M393-F398 WeakPolarHBondContact CG-O 3.36Å; M393-L408 HydrophobicContact CB-CD1 3.83Å; M393-L408 HydrophobicContact CB-CD2 4.4Å; M393-L408 HydrophobicContact CG-CD1 4.23Å; M393-L408 HydrophobicContact CG-CD2 4.46Å; M393-F434 HydrophobicContact SD-CE2 3.73Å; M393-F434 HydrophobicContact SD-CZ 3.48Å; M393-F434 WeakPolarHBondContact SD-CZ 3.47Å
394N87.6Confident88.4Confident14 Ų1440.2 Ų40.28%0.07520%0.202CC..  trans-95.5138.5173.5178.2-67.7000109.2G392 F396 T397 F398 D463G392-N394 PolarHBondContact O-N 3.1Å; N394-F396 VanDerWaalsContact C-N 3.32Å; N394-F396 PolarHBondContact O-N 3.38Å; N394-F396 PolarHBondContact OD1-N 3.12Å; N394-T397 WeakPolarHBondContact CB-OG1 3.34Å; N394-T397 PolarHBondContact OD1-N 3.48Å; N394-T397 PolarHBondContact OD1-OG1 3.29Å; N394-F398 WeakPolarHBondContact O-CA 3.48Å; N394-F398 PolarHBondContact O-N 3.45Å; N394-D463 PolarHBondContact ND2-OD1 3.05Å; N394-D463 VanDerWaalsContact ND2-OD1 3.14Å
395K82.9Confident88.2Confident47 Ų4741.1 Ų41.120%0.20421%0.208CC..THydrogen-bonded Turntrans-67.3-26.5-173-65.7-178.5178.5-173.70113.9Y474 D477 W480K395-Y474 HydrophobicContact CD-CD1 4.03Å; K395-Y474 HydrophobicContact CD-CE1 3.42Å; K395-Y474 VanDerWaalsContact CD-CE1 3.42Å; K395-Y474 HydrophobicContact CD-CE2 4.32Å; K395-D477 IonicContact NZ-OD1 3.93Å; K395-D477 PolarHBondContact NZ-OD1 3.06Å; K395-W480 WeakPolarHBondContact O-CH2 3.26Å; K395-W480 WeakPolarHBondContact O-CZ2 3.07Å
396F83.6Confident88.3Confident1 Ų145.8 Ų45.80%0.00424%0.237CC..THydrogen-bonded Turntrans-95-38.1-178.8-64.6-77.8000112.9N394 I462 L472 Y474 L494 M497 L498 I501 L517 N521N394-F396 VanDerWaalsContact C-N 3.32Å; N394-F396 PolarHBondContact O-N 3.38Å; N394-F396 PolarHBondContact OD1-N 3.12Å; F396-I462 HydrophobicContact CB-CD1 4.33Å; F396-I462 HydrophobicContact CD2-CG2 3.58Å; F396-I462 HydrophobicContact CE2-CG2 4.21Å; F396-I462 HydrophobicContact CG-CG2 4.46Å; F396-L472 HydrophobicContact CE2-CD1 3.72Å; F396-L472 HydrophobicContact CE2-CD2 4.42Å; F396-L472 HydrophobicContact CZ-CD1 4.07Å; F396-L472 HydrophobicContact CZ-CD2 3.92Å; F396-L472 HydrophobicContact CZ-CG 4.43Å; F396-Y474 WeakPolarHBondContact CE2-OH 3.46Å; F396-Y474 VanDerWaalsContact CZ-OH 3.29Å; F396-Y474 WeakPolarHBondContact CZ-OH 2.97Å; F396-L494 HydrophobicContact CD1-CD1 4.28Å; F396-L494 HydrophobicContact CE1-CD1 4.38Å; F396-M497 HydrophobicContact CE1-CB 3.97Å; F396-M497 HydrophobicContact CE1-CG 4.46Å; F396-M497 HydrophobicContact CE1-SD 3.89Å; F396-M497 HydrophobicContact CZ-CB 4.45Å; F396-M497 HydrophobicContact CZ-SD 4.06Å; F396-L498 HydrophobicContact CD1-CD2 4.4Å; F396-I501 HydrophobicContact CD1-CD1 4.36Å; F396-I501 HydrophobicContact CD2-CD1 4.2Å; F396-I501 HydrophobicContact CE1-CD1 4.22Å; F396-I501 HydrophobicContact CE2-CD1 4.01Å; F396-I501 HydrophobicContact CG-CD1 4.35Å; F396-I501 HydrophobicContact CZ-CD1 4.05Å; F396-L517 HydrophobicContact CB-CD1 4.16Å; F396-N521 PolarHBondContact O-ND2 3.12Å; F396-N521 PolarHBondContact O-OD1 3.13Å
397T84.8Confident88.4Confident1 Ų144.4 Ų44.41%0.00623%0.234CC..THydrogen-bonded Turntrans-95.2-7.8-178.551.60000112.6N394 M399 F451 L458 I462 L517N394-T397 WeakPolarHBondContact CB-OG1 3.34Å; N394-T397 PolarHBondContact OD1-N 3.48Å; N394-T397 PolarHBondContact OD1-OG1 3.29Å; T397-M399 WeakPolarHBondContact CB-O 3.19Å; T397-M399 PolarHBondContact O-N 3.42Å; T397-M399 PolarHBondContact OG1-O 3.19Å; T397-F451 WeakPolarHBondContact O-CE1 3Å; T397-F451 WeakPolarHBondContact O-CZ 3.26Å; T397-L458 HydrophobicContact CG2-CB 4.2Å; T397-L458 HydrophobicContact CG2-CD1 4.46Å; T397-I462 HydrophobicContact CG2-CD1 3.36Å; T397-L517 HydrophobicContact CG2-CD1 3.94Å
398F84.6Confident88.5Confident2 Ų241.6 Ų41.61%0.00922%0.22CC..SBendtrans61.4-23.1-174.4-60.4-103.5000114.2M393 N394 F434 T437 M438 L441 W480 V520 F524M393-F398 WeakPolarHBondContact CG-O 3.36Å; N394-F398 WeakPolarHBondContact O-CA 3.48Å; N394-F398 PolarHBondContact O-N 3.45Å; F398-F434 AromaticContact CD1-CD2 3.86Å; F398-F434 HydrophobicContact CD1-CD2 3.86Å; F398-F434 AromaticContact CD1-CE2 3.71Å; F398-F434 HydrophobicContact CD1-CE2 3.71Å; F398-F434 AromaticContact CE1-CD2 3.72Å; F398-F434 HydrophobicContact CE1-CD2 3.72Å; F398-F434 HydrophobicContact CE1-CE2 4.04Å; F398-T437 HydrophobicContact CD1-CG2 4.17Å; F398-T437 HydrophobicContact CD2-CG2 4.2Å; F398-T437 HydrophobicContact CE1-CG2 4.17Å; F398-T437 HydrophobicContact CE2-CG2 4.22Å; F398-T437 HydrophobicContact CG-CG2 4.18Å; F398-T437 HydrophobicContact CZ-CG2 4.2Å; F398-M438 HydrophobicContact CB-SD 3.81Å; F398-M438 HydrophobicContact CD1-SD 4.41Å; F398-L441 HydrophobicContact CB-CD1 3.62Å; F398-L441 HydrophobicContact CG-CD1 4.37Å; F398-W480 AromaticContact CE1-CH2 3.94Å; F398-W480 HydrophobicContact CE1-CH2 3.94Å; F398-W480 AromaticContact CE1-CZ3 3.66Å; F398-W480 HydrophobicContact CE1-CZ3 3.66Å; F398-W480 HydrophobicContact CE2-CH2 4.08Å; F398-W480 AromaticContact CZ-CH2 3.43Å; F398-W480 HydrophobicContact CZ-CH2 3.43Å; F398-W480 VanDerWaalsContact CZ-CH2 3.43Å; F398-W480 AromaticContact CZ-CZ3 3.64Å; F398-W480 HydrophobicContact CZ-CZ3 3.64Å; F398-V520 HydrophobicContact CD2-CG1 3.36Å; F398-V520 HydrophobicContact CE2-CG1 3.85Å; F398-V520 HydrophobicContact CG-CG1 4.28Å; F398-F524 HydrophobicContact CE1-CB 4.45Å; F398-F524 AromaticContact CE1-CD2 3.58Å; F398-F524 HydrophobicContact CE1-CD2 3.58Å; F398-F524 HydrophobicContact CE1-CE2 4.07Å; F398-F524 HydrophobicContact CE1-CG 4.17Å; F398-F524 HydrophobicContact CE2-CB 4.13Å; F398-F524 HydrophobicContact CE2-CG 4.44Å; F398-F524 HydrophobicContact CZ-CB 3.58Å; F398-F524 HydrophobicContact CZ-CD1 4.29Å; F398-F524 AromaticContact CZ-CD2 3.4Å; F398-F524 HydrophobicContact CZ-CD2 3.4Å; F398-F524 VanDerWaalsContact CZ-CD2 3.4Å; F398-F524 HydrophobicContact CZ-CE2 4.12Å; F398-F524 AromaticContact CZ-CG 3.5Å; F398-F524 HydrophobicContact CZ-CG 3.5Å; F398-F524 VanDerWaalsContact CZ-CG 3.5Å
399M82.3Confident88.6Confident2 Ų242.3 Ų42.31%0.0123%0.225CC..  trans-119.4130.5171.5-63.6-175.5154.300108.7T397 T405 L408 L441 F451T397-M399 WeakPolarHBondContact CB-O 3.19Å; T397-M399 PolarHBondContact O-N 3.42Å; T397-M399 PolarHBondContact OG1-O 3.19Å; M399-T405 HydrophobicContact CE-CG2 3.76Å; M399-T405 HydrophobicContact SD-CG2 3.93Å; M399-L408 HydrophobicContact CB-CD2 4.49Å; M399-L408 HydrophobicContact CG-CD2 4.17Å; M399-L441 VanDerWaalsContact CE-C 3.5Å; M399-L441 HydrophobicContact CE-CB 3.38Å; M399-L441 WeakPolarHBondContact CE-O 3.41Å; M399-L441 HydrophobicContact CG-CD1 4.18Å; M399-L441 HydrophobicContact SD-CB 3.92Å; M399-L441 HydrophobicContact SD-CD1 4.43Å; M399-F451 HydrophobicContact CB-CD1 3.82Å; M399-F451 HydrophobicContact CB-CE1 3.81Å; M399-F451 HydrophobicContact CB-CG 4.5Å; M399-F451 HydrophobicContact CB-CZ 4.48Å; M399-F451 HydrophobicContact CG-CD1 4.47Å; M399-F451 HydrophobicContact CG-CE1 4.46Å; M399-F451 HydrophobicContact SD-CB 4.27Å; M399-F451 HydrophobicContact SD-CD1 4.19Å; M399-F451 HydrophobicContact SD-CD2 4.14Å; M399-F451 HydrophobicContact SD-CG 3.93Å
400G82.8Confident88.8Confident6 Ų643.7 Ų43.76%0.06224%0.236CC..  trans-92.6-117.2173.100000111.4G392 P402G392-G400 WeakPolarHBondContact O-CA 3.05Å; G392-G400 PolarHBondContact O-N 3.14Å; G400-P402 WeakPolarHBondContact O-CD 3.31Å
401N84.8Confident89Confident64 Ų6438.5 Ų38.534%0.34222%0.215SC..  trans-61.4124.4-178.7-178.4-10.1000111E403 K404 T405N401-E403 PolarHBondContact ND2-OE2 2.82Å; N401-E403 VanDerWaalsContact ND2-OE2 3.13Å; N401-E403 PolarHBondContact O-N 3.47Å; N401-E403 VanDerWaalsContact O-N 3.09Å; N401-E403 WeakPolarHBondContact OD1-CB 3.47Å; N401-E403 WeakPolarHBondContact OD1-CG 3.3Å; N401-E403 PolarHBondContact OD1-N 3.38Å; N401-K404 PolarHBondContact O-N 3.19Å; N401-T405 PolarHBondContact O-N 3.35Å
402P86.3Confident89.1Confident32 Ų3236.7 Ų36.721%0.20821%0.206CC..G310 helixtrans-48.3-35.8174.2-31.237.1000114.5G400 K404 T405 A456G400-P402 WeakPolarHBondContact O-CD 3.31Å; P402-K404 PolarHBondContact O-N 3.08Å; P402-T405 VanDerWaalsContact CA-OG1 3.31Å; P402-T405 WeakPolarHBondContact CA-OG1 3.42Å; P402-T405 VanDerWaalsContact O-CB 3.3Å; P402-T405 WeakPolarHBondContact O-CB 3.35Å; P402-T405 PolarHBondContact O-N 2.71Å; P402-T405 VanDerWaalsContact O-N 3.11Å; P402-T405 PolarHBondContact O-OG1 3.42Å; P402-A456 HydrophobicContact CG-CB 3.85Å
403E89.1Confident89.3Confident165 Ų16538 Ų3877%0.77121%0.208SC*.G310 helixtrans-63.6-25.4178.9-62176.1158.600113.1N401N401-E403 PolarHBondContact ND2-OE2 2.82Å; N401-E403 VanDerWaalsContact ND2-OE2 3.13Å; N401-E403 PolarHBondContact O-N 3.47Å; N401-E403 VanDerWaalsContact O-N 3.09Å; N401-E403 WeakPolarHBondContact OD1-CB 3.47Å; N401-E403 WeakPolarHBondContact OD1-CG 3.3Å; N401-E403 PolarHBondContact OD1-N 3.38Å
404K91.5Very high89.4Confident91 Ų9138.7 Ų38.740%0.39622%0.218SC..G310 helixtrans-97-0.4177.5-63.1-170178.9-176.80113.3Q391 N401 P402 T406 S407 L408Q391-K404 WeakPolarHBondContact O-CB 3.46Å; Q391-K404 VanDerWaalsContact O-CD 3.23Å; Q391-K404 WeakPolarHBondContact O-CD 3.33Å; N401-K404 PolarHBondContact O-N 3.19Å; P402-K404 PolarHBondContact O-N 3.08Å; K404-T406 VanDerWaalsContact C-N 3.29Å; K404-T406 PolarHBondContact O-N 3.14Å; K404-S407 PolarHBondContact O-N 2.91Å; K404-S407 VanDerWaalsContact O-N 3.16Å; K404-S407 PolarHBondContact O-OG 3.33Å; K404-L408 WeakPolarHBondContact O-CB 3.35Å; K404-L408 PolarHBondContact O-N 3.48Å
405T90.8Very high89.7Confident19 Ų1941.3 Ų41.312%0.11724%0.236CC..Hα-helixtrans-56.1-44.6-177.3-540000111.8M399 N401 P402 L408 C409M399-T405 HydrophobicContact CE-CG2 3.76Å; M399-T405 HydrophobicContact SD-CG2 3.93Å; N401-T405 PolarHBondContact O-N 3.35Å; P402-T405 VanDerWaalsContact CA-OG1 3.31Å; P402-T405 WeakPolarHBondContact CA-OG1 3.42Å; P402-T405 VanDerWaalsContact O-CB 3.3Å; P402-T405 WeakPolarHBondContact O-CB 3.35Å; P402-T405 PolarHBondContact O-N 2.71Å; P402-T405 VanDerWaalsContact O-N 3.11Å; P402-T405 PolarHBondContact O-OG1 3.42Å; T405-L408 PolarHBondContact O-N 2.98Å; T405-C409 WeakPolarHBondContact O-CB 3.45Å; T405-C409 PolarHBondContact O-N 3.28Å; T405-C409 PolarHBondContact O-SG 2.92Å
406T91.8Very high90.2Very high110 Ų11039.1 Ų39.168%0.67523%0.226SC*.Hα-helixtrans-63.3-46.2178.8-55.10000111.7K404 C409 V410K404-T406 VanDerWaalsContact C-N 3.29Å; K404-T406 PolarHBondContact O-N 3.14Å; T406-C409 PolarHBondContact O-N 2.97Å; T406-V410 WeakPolarHBondContact O-CG2 3.43Å; T406-V410 PolarHBondContact O-N 3.32Å
407S94.5Very high90.5Very high44 Ų4444 Ų4431%0.30825%0.245SC..Hα-helixtrans-67.5-39.9179.668.40000111.5Q391 K404 C409 V410 T411Q391-S407 PolarHBondContact OE1-OG 3.27Å; K404-S407 PolarHBondContact O-N 2.91Å; K404-S407 VanDerWaalsContact O-N 3.16Å; K404-S407 PolarHBondContact O-OG 3.33Å; S407-C409 PolarHBondContact O-N 2.83Å; S407-V410 PolarHBondContact O-N 3.44Å; S407-T411 PolarHBondContact O-N 2.92Å; S407-T411 PolarHBondContact O-OG1 3.17Å; S407-T411 VanDerWaalsContact O-OG1 3.11Å
408L94.5Very high90.7Very high2 Ų248 Ų481%0.0127%0.272CS..Hα-helixtrans-57.6-46.2173.3177.463.2000111.6L388 Q391 M393 M399 K404 T405 T411 F412 M438L388-L408 HydrophobicContact CB-CD1 4.05Å; L388-L408 HydrophobicContact CD2-CD1 3.92Å; Q391-L408 HydrophobicContact CB-CB 4.03Å; Q391-L408 HydrophobicContact CB-CD1 3.95Å; M393-L408 HydrophobicContact CB-CD1 3.83Å; M393-L408 HydrophobicContact CB-CD2 4.4Å; M393-L408 HydrophobicContact CG-CD1 4.23Å; M393-L408 HydrophobicContact CG-CD2 4.46Å; M399-L408 HydrophobicContact CB-CD2 4.49Å; M399-L408 HydrophobicContact CG-CD2 4.17Å; K404-L408 WeakPolarHBondContact O-CB 3.35Å; K404-L408 PolarHBondContact O-N 3.48Å; T405-L408 PolarHBondContact O-N 2.98Å; L408-T411 PolarHBondContact O-N 3.31Å; L408-F412 WeakPolarHBondContact O-CB 3.25Å; L408-F412 PolarHBondContact O-N 2.98Å; L408-M438 HydrophobicContact CD1-CE 4.37Å; L408-M438 HydrophobicContact CD2-CE 4.11Å; L408-M438 HydrophobicContact CG-CE 4.01Å
409C95.5Very high91.1Very high14 Ų1449.3 Ų49.310%0.09528%0.282CS..Hα-helixtrans-68-35.9178.5-68.80000112.9T405 T406 S407 F412 T413 C442T405-C409 WeakPolarHBondContact O-CB 3.45Å; T405-C409 PolarHBondContact O-N 3.28Å; T405-C409 PolarHBondContact O-SG 2.92Å; T406-C409 PolarHBondContact O-N 2.97Å; S407-C409 PolarHBondContact O-N 2.83Å; C409-F412 PolarHBondContact O-N 2.77Å; C409-T413 WeakPolarHBondContact O-CB 3.5Å; C409-T413 VanDerWaalsContact O-CG2 3.29Å; C409-T413 WeakPolarHBondContact O-CG2 3.43Å; C409-T413 PolarHBondContact O-N 3.4Å; C409-T413 PolarHBondContact O-OG1 3.43Å; C409-C442 WeakPolarHBondContact CA-SG 3.41Å; C409-C442 HydrophobicContact CB-CB 3.68Å; C409-C442 WeakPolarHBondContact CB-SG 3.04Å; C409-C442 WeakPolarHBondContact SG-CA 3.4Å; C409-C442 WeakPolarHBondContact SG-CB 3.45Å; C409-C442 CovalentContact SG-SG 2.05Å; C409-C442 PolarHBondContact SG-SG 2.65Å
410V95.3Very high91.4Very high90 Ų9050.1 Ų50.155%0.54529%0.286SS..Hα-helixtrans-64.2-44.8171.7170.90000110.8T406 S407 F412 T413 G414T406-V410 WeakPolarHBondContact O-CG2 3.43Å; T406-V410 PolarHBondContact O-N 3.32Å; S407-V410 PolarHBondContact O-N 3.44Å; V410-F412 PolarHBondContact O-N 2.04Å; V410-T413 PolarHBondContact O-N 2.84Å; V410-T413 PolarHBondContact O-OG1 3.39Å; V410-T413 VanDerWaalsContact O-OG1 3.13Å; V410-G414 PolarHBondContact O-N 3.26Å
411T95.9Very high91.5Very high15 Ų1554.1 Ų54.19%0.09232%0.318CS..Hα-helixtrans-63.3-41176.6-60.90000112E387 L388 Q391 S407 L408 P415 Y416E387-T411 HydrophobicContact CB-CG2 3.98Å; L388-T411 HydrophobicContact CD2-CG2 3.94Å; Q391-T411 HydrophobicContact CG-CG2 4.21Å; Q391-T411 WeakPolarHBondContact CG-OG1 3.46Å; S407-T411 PolarHBondContact O-N 2.92Å; S407-T411 PolarHBondContact O-OG1 3.17Å; S407-T411 VanDerWaalsContact O-OG1 3.11Å; L408-T411 PolarHBondContact O-N 3.31Å; T411-P415 HydrophobicContact CG2-CB 4.24Å; T411-P415 HydrophobicContact CG2-CG 4.39Å; T411-P415 WeakPolarHBondContact O-CD 3.49Å; T411-Y416 WeakPolarHBondContact O-CB 3.43Å; T411-Y416 PolarHBondContact O-N 3.09Å
412F95.2Very high91.7Very high13 Ų1355.2 Ų55.26%0.05733%0.331CS..Iπ-helixtrans-59.7-45.8176172.1-110.9000112.3L388 L408 C409 V410 Y416 R435 M438 S439 C442L388-F412 HydrophobicContact CD2-CB 4.02Å; L408-F412 WeakPolarHBondContact O-CB 3.25Å; L408-F412 PolarHBondContact O-N 2.98Å; C409-F412 PolarHBondContact O-N 2.77Å; V410-F412 PolarHBondContact O-N 2.04Å; F412-Y416 AromaticContact CD2-CD1 3.66Å; F412-Y416 HydrophobicContact CD2-CD1 3.66Å; F412-Y416 HydrophobicContact CD2-CE1 4.05Å; F412-Y416 AromaticContact CE2-CD1 3.97Å; F412-Y416 HydrophobicContact CE2-CD1 3.97Å; F412-Y416 AromaticContact CE2-CE1 3.99Å; F412-Y416 HydrophobicContact CE2-CE1 3.99Å; F412-R435 HydrophobicContact CE2-CG 4.36Å; F412-R435 WeakPolarHBondContact CZ-O 3.35Å; F412-M438 HydrophobicContact CB-CE 4.28Å; F412-M438 HydrophobicContact CD1-CB 4.24Å; F412-M438 HydrophobicContact CD2-CB 3.77Å; F412-M438 HydrophobicContact CD2-CE 4.42Å; F412-M438 HydrophobicContact CD2-CG 4.22Å; F412-M438 HydrophobicContact CE1-CB 3.94Å; F412-M438 HydrophobicContact CE2-CB 3.43Å; F412-M438 VanDerWaalsContact CE2-CB 3.43Å; F412-M438 HydrophobicContact CE2-CG 4.16Å; F412-M438 HydrophobicContact CG-CB 4.17Å; F412-M438 HydrophobicContact CG-CE 4.25Å; F412-M438 HydrophobicContact CZ-CB 3.53Å; F412-S439 WeakPolarHBondContact CZ-OG 3.48Å; F412-C442 HydrophobicContact CD1-CB 4.48Å
413T91.6Very high91.8Very high56 Ų5654.9 Ų54.934%0.34433%0.328SS..Iπ-helixtrans-79.1-24-176.151.80000114.2C409 V410 F443C409-T413 WeakPolarHBondContact O-CB 3.5Å; C409-T413 VanDerWaalsContact O-CG2 3.29Å; C409-T413 WeakPolarHBondContact O-CG2 3.43Å; C409-T413 PolarHBondContact O-N 3.4Å; C409-T413 PolarHBondContact O-OG1 3.43Å; V410-T413 PolarHBondContact O-N 2.84Å; V410-T413 PolarHBondContact O-OG1 3.39Å; V410-T413 VanDerWaalsContact O-OG1 3.13Å; T413-F443 HydrophobicContact CG2-CE1 4.06Å; T413-F443 HydrophobicContact CG2-CE2 4.17Å; T413-F443 HydrophobicContact CG2-CZ 3.36Å
414G93.1Very high91.6Very high25 Ų2554 Ų5426%0.25833%0.328SS..Iπ-helixtrans-108.3-97.6177.800000113V410 Y416 R417 S418V410-G414 PolarHBondContact O-N 3.26Å; G414-Y416 VanDerWaalsContact C-N 3.34Å; G414-Y416 PolarHBondContact O-N 3.45Å; G414-R417 PolarHBondContact O-N 2.97Å; G414-R417 VanDerWaalsContact O-N 3.09Å; G414-S418 PolarHBondContact O-N 3.31Å; G414-S418 PolarHBondContact O-OG 2.76Å
415P93Very high91.3Very high68 Ų6850.5 Ų50.544%0.44232%0.315SS..Iπ-helixtrans-47-46.6-173.3-29.130.5000115.6T411 S418 C419T411-P415 HydrophobicContact CG2-CB 4.24Å; T411-P415 HydrophobicContact CG2-CG 4.39Å; T411-P415 WeakPolarHBondContact O-CD 3.49Å; P415-S418 PolarHBondContact O-N 2.97Å; P415-C419 VanDerWaalsContact O-CB 3.31Å; P415-C419 WeakPolarHBondContact O-CB 3.04Å; P415-C419 PolarHBondContact O-N 3.15Å
416Y94.3Very high91.1Very high1 Ų151.3 Ų51.30%0.00432%0.32CS..Iπ-helixtrans-63.7-48-179.8176.2-105.3000111.7C384 L388 T411 F412 G414 S418 C419 L420 F434 R435C384-Y416 HydrophobicContact CB-CD2 4.03Å; C384-Y416 HydrophobicContact CB-CE2 4.04Å; C384-Y416 WeakPolarHBondContact O-CD2 3.34Å; L388-Y416 HydrophobicContact CD1-CD1 4.14Å; L388-Y416 HydrophobicContact CD1-CD2 3.56Å; L388-Y416 HydrophobicContact CD1-CE1 4.26Å; L388-Y416 HydrophobicContact CD1-CE2 3.71Å; L388-Y416 HydrophobicContact CD1-CG 3.79Å; L388-Y416 HydrophobicContact CD2-CD2 4.46Å; L388-Y416 HydrophobicContact CD2-CG 4.18Å; L388-Y416 HydrophobicContact CG-CD2 3.83Å; L388-Y416 HydrophobicContact CG-CE2 4.42Å; L388-Y416 HydrophobicContact CG-CG 4.04Å; T411-Y416 WeakPolarHBondContact O-CB 3.43Å; T411-Y416 PolarHBondContact O-N 3.09Å; F412-Y416 AromaticContact CD2-CD1 3.66Å; F412-Y416 HydrophobicContact CD2-CD1 3.66Å; F412-Y416 HydrophobicContact CD2-CE1 4.05Å; F412-Y416 AromaticContact CE2-CD1 3.97Å; F412-Y416 HydrophobicContact CE2-CD1 3.97Å; F412-Y416 AromaticContact CE2-CE1 3.99Å; F412-Y416 HydrophobicContact CE2-CE1 3.99Å; G414-Y416 VanDerWaalsContact C-N 3.34Å; G414-Y416 PolarHBondContact O-N 3.45Å; Y416-S418 VanDerWaalsContact C-N 3.35Å; Y416-S418 PolarHBondContact O-N 2.9Å; Y416-C419 WeakPolarHBondContact O-CB 3.34Å; Y416-C419 PolarHBondContact O-N 3.27Å; Y416-L420 HydrophobicContact CD1-CD1 4.11Å; Y416-L420 HydrophobicContact CD1-CG 4.46Å; Y416-L420 HydrophobicContact CE1-CD1 3.41Å; Y416-L420 VanDerWaalsContact CE1-CD1 3.41Å; Y416-L420 HydrophobicContact CE1-CG 4.04Å; Y416-L420 HydrophobicContact CE2-CD1 4.35Å; Y416-L420 HydrophobicContact CE2-CD2 4.25Å; Y416-L420 HydrophobicContact CE2-CG 4.21Å; Y416-L420 WeakPolarHBondContact O-CG 3.22Å; Y416-L420 PolarHBondContact O-N 2.61Å; Y416-F434 HydrophobicContact CE1-CD1 4.14Å; Y416-F434 AromaticContact CE1-CE1 3.94Å; Y416-F434 HydrophobicContact CE1-CE1 3.94Å; Y416-F434 HydrophobicContact CE2-CE1 4.46Å; Y416-F434 AromaticContact CZ-CD1 3.91Å; Y416-F434 AromaticContact CZ-CE1 3.75Å; Y416-F434 VanDerWaalsContact OH-CD1 3.31Å; Y416-F434 WeakPolarHBondContact OH-CD1 2.99Å; Y416-R435 HydrophobicContact CE1-CG 4.42Å
417R88.8Confident90.7Very high105 Ų10546.3 Ų46.340%0.39629%0.289SS..Hα-helixtrans-63.4-40.9179.1-169.6172.5-179.9171.7-7111.7E264 T267 G414 L420 A421E264-R417 IonicContact OE2-CZ 3.33Å; E264-R417 IonicContact OE2-NH1 3.06Å; E264-R417 IonicContact OE2-NH2 2.95Å; E264-R417 PolarHBondContact OE2-NH2 3.03Å; T267-R417 PolarHBondContact OG1-NH2 3.18Å; G414-R417 PolarHBondContact O-N 2.97Å; G414-R417 VanDerWaalsContact O-N 3.09Å; R417-L420 PolarHBondContact O-N 3.45Å; R417-A421 WeakPolarHBondContact O-CB 3.2Å; R417-A421 PolarHBondContact O-N 2.98Å
418S88.2Confident90.1Very high83 Ų8345.7 Ų45.758%0.5828%0.282SS*.Hα-helixtrans-63.2-40.9174-62.90000112.1G414 P415 Y416 A421 S422G414-S418 PolarHBondContact O-N 3.31Å; G414-S418 PolarHBondContact O-OG 2.76Å; P415-S418 PolarHBondContact O-N 2.97Å; Y416-S418 VanDerWaalsContact C-N 3.35Å; Y416-S418 PolarHBondContact O-N 2.9Å; S418-A421 PolarHBondContact O-N 3.42Å; S418-S422 PolarHBondContact O-N 3.25Å
419C93Very high89.5Confident31 Ų3147.6 Ų47.621%0.20929%0.294CS..Hα-helixtrans-62.4-50.8176.3-173.30000111C384 P415 Y416 A421 S422C384-C419 WeakPolarHBondContact CA-SG 3.37Å; C384-C419 HydrophobicContact CB-CB 3.7Å; C384-C419 WeakPolarHBondContact CB-SG 3.45Å; C384-C419 WeakPolarHBondContact SG-CB 3.36Å; C384-C419 CovalentContact SG-SG 2.03Å; C384-C419 PolarHBondContact SG-SG 3.32Å; P415-C419 VanDerWaalsContact O-CB 3.31Å; P415-C419 WeakPolarHBondContact O-CB 3.04Å; P415-C419 PolarHBondContact O-N 3.15Å; Y416-C419 WeakPolarHBondContact O-CB 3.34Å; Y416-C419 PolarHBondContact O-N 3.27Å; C419-A421 VanDerWaalsContact C-N 3.28Å; C419-A421 PolarHBondContact O-N 2.92Å; C419-S422 WeakPolarHBondContact O-CB 3.34Å; C419-S422 PolarHBondContact O-N 3.46Å; C419-S422 PolarHBondContact O-OG 2.9Å
420L90.3Very high89.1Confident18 Ų1847 Ų479%0.09429%0.289CS..Hα-helixtrans-57.2-40.6176.8-69.9-173.2000112.7F381 C384 Y416 R417 S422 L423 T426 T431 R435F381-L420 HydrophobicContact CD2-CD2 3.63Å; F381-L420 HydrophobicContact CE2-CD2 3.52Å; C384-L420 HydrophobicContact CB-CD2 4.17Å; Y416-L420 HydrophobicContact CD1-CD1 4.11Å; Y416-L420 HydrophobicContact CD1-CG 4.46Å; Y416-L420 HydrophobicContact CE1-CD1 3.41Å; Y416-L420 VanDerWaalsContact CE1-CD1 3.41Å; Y416-L420 HydrophobicContact CE1-CG 4.04Å; Y416-L420 HydrophobicContact CE2-CD1 4.35Å; Y416-L420 HydrophobicContact CE2-CD2 4.25Å; Y416-L420 HydrophobicContact CE2-CG 4.21Å; Y416-L420 WeakPolarHBondContact O-CG 3.22Å; Y416-L420 PolarHBondContact O-N 2.61Å; R417-L420 PolarHBondContact O-N 3.45Å; L420-S422 PolarHBondContact O-N 2.97Å; L420-L423 HydrophobicContact CD2-CD1 4.01Å; L420-L423 PolarHBondContact O-N 2.99Å; L420-L423 VanDerWaalsContact O-N 3.14Å; L420-T426 HydrophobicContact CD2-CG2 4.19Å; L420-T431 HydrophobicContact CD1-CG2 3.85Å; L420-T431 HydrophobicContact CD2-CG2 4.39Å; L420-R435 HydrophobicContact CD1-CG 4.34Å
421A84.9Confident88.8Confident90 Ų9042.8 Ų42.874%0.74426%0.264SS*.Hα-helixtrans-65.1-1917900000113.6R417 S418 C419R417-A421 WeakPolarHBondContact O-CB 3.2Å; R417-A421 PolarHBondContact O-N 2.98Å; S418-A421 PolarHBondContact O-N 3.42Å; C419-A421 VanDerWaalsContact C-N 3.28Å; C419-A421 PolarHBondContact O-N 2.92Å
422S89.3Confident88.3Confident87 Ų8744.4 Ų44.461%0.60827%0.27SS*.THydrogen-bonded Turntrans-88.8-10.8176.977.40000114S418 C419 L420S418-S422 PolarHBondContact O-N 3.25Å; C419-S422 WeakPolarHBondContact O-CB 3.34Å; C419-S422 PolarHBondContact O-N 3.46Å; C419-S422 PolarHBondContact O-OG 2.9Å; L420-S422 PolarHBondContact O-N 2.97Å
423L88Confident88Confident26 Ų2643.8 Ų43.814%0.13627%0.267CS..  trans-81.3141.5-178.1-57.3-177.6000110.9Q380 F381 L420 C425 T426Q380-L423 HydrophobicContact CB-CD2 3.55Å; F381-L423 HydrophobicContact CB-CD1 3.98Å; F381-L423 HydrophobicContact CD2-CD1 3.98Å; L420-L423 HydrophobicContact CD2-CD1 4.01Å; L420-L423 PolarHBondContact O-N 2.99Å; L420-L423 VanDerWaalsContact O-N 3.14Å; L423-C425 VanDerWaalsContact C-N 3.32Å; L423-T426 HydrophobicContact CB-CG2 4.3Å; L423-T426 HydrophobicContact CD1-CG2 4.11Å
424N85.1Confident88Confident147 Ų14741.1 Ų41.179%0.78625%0.251SS*.SBendtrans-76.3-24.6172.8-67.8-32.5000112.5
425C85.2Confident88Confident17 Ų1744.7 Ų44.712%0.11526%0.256CS..  trans-143.1138.8-179.5-169.70000109.7V371 C373 E377 L423V371-C425 WeakPolarHBondContact CG1-SG 3.4Å; C373-C425 WeakPolarHBondContact CA-SG 3.47Å; C373-C425 HydrophobicContact CB-CB 3.9Å; C373-C425 WeakPolarHBondContact CB-SG 3.42Å; C373-C425 WeakPolarHBondContact SG-CB 3.5Å; C373-C425 CovalentContact SG-SG 2.04Å; C373-C425 PolarHBondContact SG-SG 3.47Å; E377-C425 HydrophobicContact CB-CB 4Å; E377-C425 VanDerWaalsContact CD-CB 3.48Å; E377-C425 HydrophobicContact CG-CB 4.08Å; L423-C425 VanDerWaalsContact C-N 3.32Å
426T86.4Confident87.8Confident35 Ų3545 Ų4522%0.21525%0.252CS..  trans-126.5133.7170.753.40000108.6V371 C373 F381 L420 L423 E428 T431V371-T426 WeakPolarHBondContact CG1-O 3.32Å; C373-T426 PolarHBondContact SG-N 3.49Å; F381-T426 HydrophobicContact CD2-CG2 4.4Å; L420-T426 HydrophobicContact CD2-CG2 4.19Å; L423-T426 HydrophobicContact CB-CG2 4.3Å; L423-T426 HydrophobicContact CD1-CG2 4.11Å; T426-E428 PolarHBondContact O-N 3.47Å; T426-T431 HydrophobicContact CG2-CG2 4.34Å
427P83.8Confident87.7Confident5 Ų545 Ų453%0.03225%0.253CS..  trans-64.7122-179.524.4-31.7000110.1F381 Y430 T431F381-P427 HydrophobicContact CD1-CG 3.64Å; F381-P427 HydrophobicContact CD2-CG 4.12Å; F381-P427 HydrophobicContact CE1-CG 3.62Å; F381-P427 HydrophobicContact CE2-CG 4.1Å; F381-P427 HydrophobicContact CG-CG 3.89Å; F381-P427 HydrophobicContact CZ-CG 3.85Å; P427-Y430 HydrophobicContact CG-CD1 4.3Å; P427-T431 VanDerWaalsContact O-CB 3.31Å; P427-T431 WeakPolarHBondContact O-CB 3.28Å; P427-T431 PolarHBondContact O-N 2.86Å; P427-T431 PolarHBondContact O-OG1 2.88Å
428E81.2Confident88Confident32 Ų3240 Ų4015%0.1523%0.234CC..THydrogen-bonded Turntrans-115.2143.2177.5-75.3-69143.800109.3R368 V371 T426 T431 K432R368-E428 IonicContact CZ-OE2 2.88Å; R368-E428 VanDerWaalsContact CZ-OE2 3.23Å; R368-E428 IonicContact NH1-OE2 3.65Å; R368-E428 PolarHBondContact NH1-OE2 2.81Å; R368-E428 IonicContact NH2-OE2 3.01Å; R368-E428 PolarHBondContact NH2-OE2 2.87Å; V371-E428 HydrophobicContact CB-CB 4.34Å; V371-E428 HydrophobicContact CG2-CB 4.44Å; T426-E428 PolarHBondContact O-N 3.47Å; E428-T431 WeakPolarHBondContact OE1-CB 3.21Å; E428-K432 PolarHBondContact OE1-N 3.31Å; E428-K432 VanDerWaalsContact OE2-CB 3.23Å; E428-K432 WeakPolarHBondContact OE2-CB 3.2Å
429P81.2Confident88.1Confident41 Ų4137.7 Ų37.727%0.26622%0.217SC..THydrogen-bonded Turncis-84.63.79.434.1-35.2000115A433 Y528P429-A433 WeakPolarHBondContact O-CB 3.26Å; P429-A433 PolarHBondContact O-N 3.33Å; P429-Y528 HydrophobicContact CG-CD2 4.09Å; P429-Y528 HydrophobicContact CG-CE2 4.14Å; P429-Y528 HydrophobicContact CG-CG 4.29Å; P429-Y528 WeakPolarHBondContact CG-O 3.3Å
430Y87.2Confident88Confident1 Ų139.3 Ų39.30%0.00422%0.223CC..Hα-helixtrans-54.3-55.6-176.2178.1-96.8000114F381 P427 K432 A433 F434 W480 F524 Y528F381-Y430 AromaticContact CE1-CD1 3.72Å; F381-Y430 HydrophobicContact CE1-CD1 3.72Å; F381-Y430 AromaticContact CE1-CE1 3.46Å; F381-Y430 HydrophobicContact CE1-CE1 3.46Å; F381-Y430 VanDerWaalsContact CE1-CE1 3.46Å; F381-Y430 AromaticContact CZ-CD1 3.56Å; F381-Y430 HydrophobicContact CZ-CD1 3.56Å; F381-Y430 AromaticContact CZ-CE1 3.44Å; F381-Y430 HydrophobicContact CZ-CE1 3.44Å; F381-Y430 VanDerWaalsContact CZ-CE1 3.44Å; P427-Y430 HydrophobicContact CG-CD1 4.3Å; Y430-K432 VanDerWaalsContact C-N 3.31Å; Y430-K432 PolarHBondContact O-N 3.39Å; Y430-A433 PolarHBondContact O-N 3.18Å; Y430-A433 VanDerWaalsContact O-N 3.11Å; Y430-F434 HydrophobicContact CE1-CB 4.43Å; Y430-F434 WeakPolarHBondContact O-CB 3.25Å; Y430-F434 PolarHBondContact O-N 3.49Å; Y430-W480 WeakPolarHBondContact CE1-O 3.37Å; Y430-W480 HydrophobicContact CE2-CB 4.25Å; Y430-W480 HydrophobicContact CE2-CD2 4.18Å; Y430-W480 AromaticContact CE2-CE3 3.4Å; Y430-W480 HydrophobicContact CE2-CE3 3.4Å; Y430-W480 AromaticContact CE2-CZ3 3.99Å; Y430-W480 HydrophobicContact CE2-CZ3 3.99Å; Y430-W480 AromaticContact CZ-CE3 3.77Å; Y430-W480 VanDerWaalsContact OH-CE3 3.3Å; Y430-W480 PolarHBondContact OH-O 3.1Å; Y430-F524 HydrophobicContact CD2-CE2 4.38Å; Y430-F524 AromaticContact CD2-CZ 3.8Å; Y430-F524 HydrophobicContact CD2-CZ 3.8Å; Y430-F524 HydrophobicContact CE2-CE2 4.28Å; Y430-F524 AromaticContact CE2-CZ 3.88Å; Y430-F524 HydrophobicContact CE2-CZ 3.88Å; Y430-Y528 HydrophobicContact CD2-CE2 4.3Å
431T88.5Confident88.1Confident2 Ų238.4 Ų38.41%0.01222%0.219CC..Hα-helixtrans-60.7-42.2-172.9-58.90000111.5F381 L420 T426 P427 E428 R435F381-T431 HydrophobicContact CE2-CG2 3.99Å; F381-T431 WeakPolarHBondContact CE2-OG1 3.48Å; F381-T431 WeakPolarHBondContact CZ-OG1 3.39Å; L420-T431 HydrophobicContact CD1-CG2 3.85Å; L420-T431 HydrophobicContact CD2-CG2 4.39Å; T426-T431 HydrophobicContact CG2-CG2 4.34Å; P427-T431 VanDerWaalsContact O-CB 3.31Å; P427-T431 WeakPolarHBondContact O-CB 3.28Å; P427-T431 PolarHBondContact O-N 2.86Å; P427-T431 PolarHBondContact O-OG1 2.88Å; E428-T431 WeakPolarHBondContact OE1-CB 3.21Å; T431-R435 WeakPolarHBondContact O-CB 3.31Å; T431-R435 WeakPolarHBondContact O-CG 3.3Å; T431-R435 PolarHBondContact O-N 2.84Å
432K85.6Confident88.5Confident49 Ų4934.2 Ų34.221%0.21318%0.184CC..Hα-helixtrans-59.7-54.2171.1-179.9-171.6170.6-152.60112.1E428 Y430 F434 R435 E436E428-K432 PolarHBondContact OE1-N 3.31Å; E428-K432 VanDerWaalsContact OE2-CB 3.23Å; E428-K432 WeakPolarHBondContact OE2-CB 3.2Å; Y430-K432 VanDerWaalsContact C-N 3.31Å; Y430-K432 PolarHBondContact O-N 3.39Å; K432-F434 PolarHBondContact O-N 3.35Å; K432-R435 PolarHBondContact O-N 3.2Å; K432-R435 VanDerWaalsContact O-N 3.17Å; K432-E436 HydrophobicContact CG-CG 4.25Å; K432-E436 WeakPolarHBondContact O-CG 3.48Å; K432-E436 PolarHBondContact O-N 3.14Å
433A89.6Confident88.7Confident0 Ų036.4 Ų36.40%018%0.183CC..Hα-helixtrans-56.8-41.9-178.100000112.2P429 Y430 T437 F524 Q527 Y528P429-A433 WeakPolarHBondContact O-CB 3.26Å; P429-A433 PolarHBondContact O-N 3.33Å; Y430-A433 PolarHBondContact O-N 3.18Å; Y430-A433 VanDerWaalsContact O-N 3.11Å; A433-T437 WeakPolarHBondContact O-CB 3.2Å; A433-T437 PolarHBondContact O-N 3.32Å; A433-T437 VanDerWaalsContact O-N 3.12Å; A433-T437 PolarHBondContact O-OG1 3.09Å; A433-F524 HydrophobicContact CB-CD2 3.76Å; A433-F524 HydrophobicContact CB-CE2 3.59Å; A433-F524 HydrophobicContact CB-CG 4.35Å; A433-F524 HydrophobicContact CB-CZ 4.03Å; A433-Q527 HydrophobicContact CB-CB 3.67Å; A433-Y528 HydrophobicContact CB-CD2 4.32Å
434F92.3Very high88.8Confident1 Ų137.3 Ų37.30%0.00419%0.188CC..Hα-helixtrans-63.1-50.3176.1-176.4-94.1000111.9H385 L388 M393 F398 Y416 Y430 K432 T437 M438 F524H385-F434 AromaticContact CE1-CE2 3.67Å; H385-F434 AromaticContact CE1-CZ 3.85Å; L388-F434 HydrophobicContact CD1-CE1 3.46Å; L388-F434 VanDerWaalsContact CD1-CE1 3.46Å; L388-F434 HydrophobicContact CD1-CZ 3.49Å; L388-F434 VanDerWaalsContact CD1-CZ 3.49Å; M393-F434 HydrophobicContact SD-CE2 3.73Å; M393-F434 HydrophobicContact SD-CZ 3.48Å; M393-F434 WeakPolarHBondContact SD-CZ 3.47Å; F398-F434 AromaticContact CD1-CD2 3.86Å; F398-F434 HydrophobicContact CD1-CD2 3.86Å; F398-F434 AromaticContact CD1-CE2 3.71Å; F398-F434 HydrophobicContact CD1-CE2 3.71Å; F398-F434 AromaticContact CE1-CD2 3.72Å; F398-F434 HydrophobicContact CE1-CD2 3.72Å; F398-F434 HydrophobicContact CE1-CE2 4.04Å; Y416-F434 HydrophobicContact CE1-CD1 4.14Å; Y416-F434 AromaticContact CE1-CE1 3.94Å; Y416-F434 HydrophobicContact CE1-CE1 3.94Å; Y416-F434 HydrophobicContact CE2-CE1 4.46Å; Y416-F434 AromaticContact CZ-CD1 3.91Å; Y416-F434 AromaticContact CZ-CE1 3.75Å; Y416-F434 VanDerWaalsContact OH-CD1 3.31Å; Y416-F434 WeakPolarHBondContact OH-CD1 2.99Å; Y430-F434 HydrophobicContact CE1-CB 4.43Å; Y430-F434 WeakPolarHBondContact O-CB 3.25Å; Y430-F434 PolarHBondContact O-N 3.49Å; K432-F434 PolarHBondContact O-N 3.35Å; F434-T437 PolarHBondContact O-N 3.11Å; F434-M438 HydrophobicContact CD1-CG 4.14Å; F434-M438 HydrophobicContact CE1-CG 3.6Å; F434-M438 HydrophobicContact CE2-CG 4.02Å; F434-M438 HydrophobicContact CZ-CG 3.51Å; F434-M438 HydrophobicContact CZ-SD 4.2Å; F434-M438 WeakPolarHBondContact O-CB 3.01Å; F434-M438 WeakPolarHBondContact O-CG 3.34Å; F434-M438 PolarHBondContact O-N 3.17Å; F434-F524 HydrophobicContact CB-CE2 4.09Å
435R91.8Very high89.1Confident99 Ų9936.4 Ų36.437%0.37418%0.179SC..Hα-helixtrans-61.4-45-179.9-84.8177.743.2-160-15113.5F412 Y416 L420 T431 K432 S439F412-R435 HydrophobicContact CE2-CG 4.36Å; F412-R435 WeakPolarHBondContact CZ-O 3.35Å; Y416-R435 HydrophobicContact CE1-CG 4.42Å; L420-R435 HydrophobicContact CD1-CG 4.34Å; T431-R435 WeakPolarHBondContact O-CB 3.31Å; T431-R435 WeakPolarHBondContact O-CG 3.3Å; T431-R435 PolarHBondContact O-N 2.84Å; K432-R435 PolarHBondContact O-N 3.2Å; K432-R435 VanDerWaalsContact O-N 3.17Å; R435-S439 VanDerWaalsContact O-CB 3.28Å; R435-S439 WeakPolarHBondContact O-CB 3.16Å; R435-S439 PolarHBondContact O-N 3.3Å; R435-S439 PolarHBondContact O-OG 2.71Å
436E88.9Confident89.3Confident74 Ų7439.6 Ų39.635%0.34620%0.198SC..Hα-helixtrans-64.6-44.1179.5-65.9-61.2156.100110.4K432 S439 L440 Q527K432-E436 HydrophobicContact CG-CG 4.25Å; K432-E436 WeakPolarHBondContact O-CG 3.48Å; K432-E436 PolarHBondContact O-N 3.14Å; E436-S439 PolarHBondContact O-N 3.37Å; E436-L440 PolarHBondContact O-N 2.82Å; E436-Q527 HydrophobicContact CB-CG 4.11Å; E436-Q527 HydrophobicContact CG-CG 4.47Å
437T93Very high89.5Confident3 Ų338.8 Ų38.82%0.01819%0.192CC..Hα-helixtrans-61.3-51.8176.5-54.20000110.8F398 A433 F434 S439 L440 L441 V520 F524F398-T437 HydrophobicContact CD1-CG2 4.17Å; F398-T437 HydrophobicContact CD2-CG2 4.2Å; F398-T437 HydrophobicContact CE1-CG2 4.17Å; F398-T437 HydrophobicContact CE2-CG2 4.22Å; F398-T437 HydrophobicContact CG-CG2 4.18Å; F398-T437 HydrophobicContact CZ-CG2 4.2Å; A433-T437 WeakPolarHBondContact O-CB 3.2Å; A433-T437 PolarHBondContact O-N 3.32Å; A433-T437 VanDerWaalsContact O-N 3.12Å; A433-T437 PolarHBondContact O-OG1 3.09Å; F434-T437 PolarHBondContact O-N 3.11Å; T437-S439 VanDerWaalsContact C-N 3.32Å; T437-S439 PolarHBondContact O-N 2.88Å; T437-L440 PolarHBondContact O-N 2.87Å; T437-L441 HydrophobicContact CG2-CD1 4.2Å; T437-L441 VanDerWaalsContact O-CG 3.3Å; T437-L441 WeakPolarHBondContact O-CG 3.43Å; T437-L441 PolarHBondContact O-N 3.33Å; T437-V520 HydrophobicContact CG2-CG1 4.2Å; T437-F524 HydrophobicContact CG2-CB 4.35Å; T437-F524 VanDerWaalsContact OG1-CA 3.23Å; T437-F524 WeakPolarHBondContact OG1-CA 3.04Å; T437-F524 PolarHBondContact OG1-N 3.25Å
438M93.7Very high89.7Confident0 Ų041.4 Ų41.40%020%0.203CC..Hα-helixtrans-61.6-37.9178.4-78.6-59.5-6200112.9F398 L408 F412 F434 L441 C442F398-M438 HydrophobicContact CB-SD 3.81Å; F398-M438 HydrophobicContact CD1-SD 4.41Å; L408-M438 HydrophobicContact CD1-CE 4.37Å; L408-M438 HydrophobicContact CD2-CE 4.11Å; L408-M438 HydrophobicContact CG-CE 4.01Å; F412-M438 HydrophobicContact CB-CE 4.28Å; F412-M438 HydrophobicContact CD1-CB 4.24Å; F412-M438 HydrophobicContact CD2-CB 3.77Å; F412-M438 HydrophobicContact CD2-CE 4.42Å; F412-M438 HydrophobicContact CD2-CG 4.22Å; F412-M438 HydrophobicContact CE1-CB 3.94Å; F412-M438 HydrophobicContact CE2-CB 3.43Å; F412-M438 VanDerWaalsContact CE2-CB 3.43Å; F412-M438 HydrophobicContact CE2-CG 4.16Å; F412-M438 HydrophobicContact CG-CB 4.17Å; F412-M438 HydrophobicContact CG-CE 4.25Å; F412-M438 HydrophobicContact CZ-CB 3.53Å; F434-M438 HydrophobicContact CD1-CG 4.14Å; F434-M438 HydrophobicContact CE1-CG 3.6Å; F434-M438 HydrophobicContact CE2-CG 4.02Å; F434-M438 HydrophobicContact CZ-CG 3.51Å; F434-M438 HydrophobicContact CZ-SD 4.2Å; F434-M438 WeakPolarHBondContact O-CB 3.01Å; F434-M438 WeakPolarHBondContact O-CG 3.34Å; F434-M438 PolarHBondContact O-N 3.17Å; M438-L441 PolarHBondContact O-N 2.04Å; M438-C442 VanDerWaalsContact O-CB 3.22Å; M438-C442 WeakPolarHBondContact O-CB 3.01Å; M438-C442 PolarHBondContact O-N 3.04Å
439S92.1Very high90.1Very high34 Ų3442.9 Ų42.924%0.23822%0.217CC..Hα-helixtrans-63.2-45.4176.5-59.50000110.8F412 R435 E436 T437 L441 C442 F443F412-S439 WeakPolarHBondContact CZ-OG 3.48Å; R435-S439 VanDerWaalsContact O-CB 3.28Å; R435-S439 WeakPolarHBondContact O-CB 3.16Å; R435-S439 PolarHBondContact O-N 3.3Å; R435-S439 PolarHBondContact O-OG 2.71Å; E436-S439 PolarHBondContact O-N 3.37Å; T437-S439 VanDerWaalsContact C-N 3.32Å; T437-S439 PolarHBondContact O-N 2.88Å; S439-L441 PolarHBondContact O-N 3.45Å; S439-C442 PolarHBondContact O-N 2.86Å; S439-F443 WeakPolarHBondContact O-CB 3.09Å; S439-F443 WeakPolarHBondContact O-CD2 3.32Å; S439-F443 PolarHBondContact O-N 2.99Å
440L91Very high90.5Very high64 Ų6443.5 Ų43.534%0.33522%0.219SC..Hα-helixtrans-59.9-47176-178.762.2000111E436 T437 C442 N444 L523E436-L440 PolarHBondContact O-N 2.82Å; T437-L440 PolarHBondContact O-N 2.87Å; L440-C442 PolarHBondContact O-N 2.9Å; L440-N444 HydrophobicContact CD1-CB 3.96Å; L440-N444 WeakPolarHBondContact O-CB 3.35Å; L440-N444 PolarHBondContact O-N 2.82Å; L440-L523 HydrophobicContact CD2-CD1 3.54Å; L440-L523 HydrophobicContact CD2-CD2 3.7Å; L440-L523 HydrophobicContact CD2-CG 4.18Å
441L91.9Very high90.6Very high0 Ų043.5 Ų43.50%022%0.22CC..Hα-helixtrans-65.2-37.2179.5-61.5179.8000112.9F398 M399 T437 M438 S439 M447 K448 F451 V520F398-L441 HydrophobicContact CB-CD1 3.62Å; F398-L441 HydrophobicContact CG-CD1 4.37Å; M399-L441 VanDerWaalsContact CE-C 3.5Å; M399-L441 HydrophobicContact CE-CB 3.38Å; M399-L441 WeakPolarHBondContact CE-O 3.41Å; M399-L441 HydrophobicContact CG-CD1 4.18Å; M399-L441 HydrophobicContact SD-CB 3.92Å; M399-L441 HydrophobicContact SD-CD1 4.43Å; T437-L441 HydrophobicContact CG2-CD1 4.2Å; T437-L441 VanDerWaalsContact O-CG 3.3Å; T437-L441 WeakPolarHBondContact O-CG 3.43Å; T437-L441 PolarHBondContact O-N 3.33Å; M438-L441 PolarHBondContact O-N 2.04Å; S439-L441 PolarHBondContact O-N 3.45Å; L441-M447 HydrophobicContact CD2-CB 4.31Å; L441-M447 HydrophobicContact CD2-CE 3.5Å; L441-M447 VanDerWaalsContact CD2-CE 3.5Å; L441-K448 WeakPolarHBondContact O-CG 3.34Å; L441-F451 HydrophobicContact CD1-CE2 4.31Å; L441-F451 HydrophobicContact CD1-CZ 4.44Å; L441-F451 HydrophobicContact CD2-CD2 4Å; L441-F451 HydrophobicContact CD2-CE2 3.46Å; L441-F451 VanDerWaalsContact CD2-CE2 3.46Å; L441-F451 HydrophobicContact CD2-CZ 4.34Å; L441-F451 HydrophobicContact CG-CE2 4.47Å; L441-V520 HydrophobicContact CD1-CG1 4.04Å; L441-V520 HydrophobicContact CD2-CG2 4.2Å
442C93.6Very high90.5Very high2 Ų245.5 Ų45.51%0.01424%0.241CC..Hα-helixtrans-85.2-17.1-177.1-78.60000115.5C409 F412 M438 S439 L440 K448C409-C442 WeakPolarHBondContact CA-SG 3.41Å; C409-C442 HydrophobicContact CB-CB 3.68Å; C409-C442 WeakPolarHBondContact CB-SG 3.04Å; C409-C442 WeakPolarHBondContact SG-CA 3.4Å; C409-C442 WeakPolarHBondContact SG-CB 3.45Å; C409-C442 CovalentContact SG-SG 2.05Å; C409-C442 PolarHBondContact SG-SG 2.65Å; F412-C442 HydrophobicContact CD1-CB 4.48Å; M438-C442 VanDerWaalsContact O-CB 3.22Å; M438-C442 WeakPolarHBondContact O-CB 3.01Å; M438-C442 PolarHBondContact O-N 3.04Å; S439-C442 PolarHBondContact O-N 2.86Å; L440-C442 PolarHBondContact O-N 2.9Å; C442-K448 WeakPolarHBondContact O-CE 3.04Å; C442-K448 PolarHBondContact O-NZ 3.37Å
443F92.2Very high90.7Very high133 Ų13350.9 Ų50.958%0.58326%0.264SS*.Hα-helixtrans-119.2-11.7-177.8-59.8-59.3000114.1T413 S439T413-F443 HydrophobicContact CG2-CE1 4.06Å; T413-F443 HydrophobicContact CG2-CE2 4.17Å; T413-F443 HydrophobicContact CG2-CZ 3.36Å; S439-F443 WeakPolarHBondContact O-CB 3.09Å; S439-F443 WeakPolarHBondContact O-CD2 3.32Å; S439-F443 PolarHBondContact O-N 2.99Å
444N91.3Very high90.8Very high45 Ų4551.3 Ų51.324%0.24127%0.267CS..  trans-91.5109.9172.7-172.7-54.4000110.6L440 T446 M447 K448L440-N444 HydrophobicContact CD1-CB 3.96Å; L440-N444 WeakPolarHBondContact O-CB 3.35Å; L440-N444 PolarHBondContact O-N 2.82Å; N444-T446 VanDerWaalsContact C-N 3.28Å; N444-T446 PolarHBondContact O-N 3.48Å; N444-T446 WeakPolarHBondContact OD1-CA 3.5Å; N444-T446 VanDerWaalsContact OD1-CB 3.22Å; N444-T446 WeakPolarHBondContact OD1-CB 3.15Å; N444-T446 PolarHBondContact OD1-N 3.5Å; N444-M447 HydrophobicContact CB-CB 4.05Å; N444-M447 HydrophobicContact CB-CG 4.02Å; N444-M447 PolarHBondContact O-N 2.88Å; N444-M447 PolarHBondContact OD1-N 3.45Å; N444-K448 PolarHBondContact O-N 3.06Å
445E89.6Confident90.5Very high127 Ų12751.3 Ų51.359%0.59327%0.267SS*.Hα-helixtrans-63.3-31.7-178.8-66.3-56.7134.300113.2K448 S449E445-K448 PolarHBondContact O-N 3.34Å; E445-K448 IonicContact OE1-NZ 3.33Å; E445-K448 PolarHBondContact OE1-NZ 2.86Å; E445-S449 WeakPolarHBondContact O-CB 3.37Å; E445-S449 PolarHBondContact O-N 3.28Å
446T90.7Very high90.3Very high84 Ų8448.6 Ų48.652%0.51527%0.266SS..Hα-helixtrans-64.5-48173.9-53.40000110.4N444 K448 S449 V450N444-T446 VanDerWaalsContact C-N 3.28Å; N444-T446 PolarHBondContact O-N 3.48Å; N444-T446 WeakPolarHBondContact OD1-CA 3.5Å; N444-T446 VanDerWaalsContact OD1-CB 3.22Å; N444-T446 WeakPolarHBondContact OD1-CB 3.15Å; N444-T446 PolarHBondContact OD1-N 3.5Å; T446-K448 PolarHBondContact O-N 2.03Å; T446-S449 WeakPolarHBondContact O-CB 3.41Å; T446-S449 PolarHBondContact O-N 3.26Å; T446-S449 VanDerWaalsContact O-N 3.13Å; T446-V450 WeakPolarHBondContact O-CG2 3.08Å; T446-V450 PolarHBondContact O-N 3.29Å
447M89.6Confident90.5Very high19 Ų1947.1 Ų47.19%0.09426%0.263CS..Hα-helixtrans-61.7-43.7177.1-71.3-61.1-69.700111.7L441 N444 S449 V450 F451 L516 L519 V520 L523L441-M447 HydrophobicContact CD2-CB 4.31Å; L441-M447 HydrophobicContact CD2-CE 3.5Å; L441-M447 VanDerWaalsContact CD2-CE 3.5Å; N444-M447 HydrophobicContact CB-CB 4.05Å; N444-M447 HydrophobicContact CB-CG 4.02Å; N444-M447 PolarHBondContact O-N 2.88Å; N444-M447 PolarHBondContact OD1-N 3.45Å; M447-S449 VanDerWaalsContact C-N 3.29Å; M447-S449 PolarHBondContact O-N 3Å; M447-V450 PolarHBondContact O-N 3.12Å; M447-F451 HydrophobicContact CE-CE2 4.22Å; M447-F451 WeakPolarHBondContact O-CB 3.39Å; M447-F451 WeakPolarHBondContact O-CD2 3.27Å; M447-F451 PolarHBondContact O-N 3.22Å; M447-L516 HydrophobicContact CE-CD1 4.12Å; M447-L519 HydrophobicContact CE-CD2 4.05Å; M447-L519 HydrophobicContact SD-CD2 4.07Å; M447-V520 HydrophobicContact CE-CG2 4.05Å; M447-L523 HydrophobicContact CE-CD1 4.44Å
448K88.4Confident90.4Very high59 Ų5947 Ų4726%0.25726%0.262SS..Hα-helixtrans-57.5-42.2173.1-71.7-179.8-173.6164.10112.3L441 C442 N444 E445 T446 F451 G452L441-K448 WeakPolarHBondContact O-CG 3.34Å; C442-K448 WeakPolarHBondContact O-CE 3.04Å; C442-K448 PolarHBondContact O-NZ 3.37Å; N444-K448 PolarHBondContact O-N 3.06Å; E445-K448 PolarHBondContact O-N 3.34Å; E445-K448 IonicContact OE1-NZ 3.33Å; E445-K448 PolarHBondContact OE1-NZ 2.86Å; T446-K448 PolarHBondContact O-N 2.03Å; K448-F451 PolarHBondContact O-N 2.84Å; K448-G452 PolarHBondContact O-N 3.19Å
449S90.3Very high90.2Very high63 Ų6347.4 Ų47.444%0.44127%0.266SS..Hα-helixtrans-64.4-44.8179.2-1720000111.8E445 T446 M447 G452 K453E445-S449 WeakPolarHBondContact O-CB 3.37Å; E445-S449 PolarHBondContact O-N 3.28Å; T446-S449 WeakPolarHBondContact O-CB 3.41Å; T446-S449 PolarHBondContact O-N 3.26Å; T446-S449 VanDerWaalsContact O-N 3.13Å; M447-S449 VanDerWaalsContact C-N 3.29Å; M447-S449 PolarHBondContact O-N 3Å; S449-G452 PolarHBondContact O-N 3.34Å; S449-K453 WeakPolarHBondContact O-CG 3.37Å; S449-K453 PolarHBondContact O-N 2.05Å
450V89.1Confident90Very high54 Ų5451.5 Ų51.533%0.32728%0.284SS..Hα-helixtrans-63.8-44.3177178.70000110.4T446 M447 G452 K453 S454 L516T446-V450 WeakPolarHBondContact O-CG2 3.08Å; T446-V450 PolarHBondContact O-N 3.29Å; M447-V450 PolarHBondContact O-N 3.12Å; V450-G452 VanDerWaalsContact C-N 3.32Å; V450-G452 PolarHBondContact O-N 2.76Å; V450-K453 PolarHBondContact O-N 3.11Å; V450-S454 PolarHBondContact O-N 3.35Å; V450-S454 VanDerWaalsContact O-N 3.15Å; V450-L516 HydrophobicContact CG1-CD1 3.77Å; V450-L516 HydrophobicContact CG1-CD2 4.03Å; V450-L516 HydrophobicContact CG1-CG 4.33Å
451F88.3Confident90Very high2 Ų248.6 Ų48.61%0.00927%0.269CS..Hα-helixtrans-62-36.3172.9-98.5-79.6000113.4T397 M399 L441 M447 K448 K453 G455 L516 V520T397-F451 WeakPolarHBondContact O-CE1 3Å; T397-F451 WeakPolarHBondContact O-CZ 3.26Å; M399-F451 HydrophobicContact CB-CD1 3.82Å; M399-F451 HydrophobicContact CB-CE1 3.81Å; M399-F451 HydrophobicContact CB-CG 4.5Å; M399-F451 HydrophobicContact CB-CZ 4.48Å; M399-F451 HydrophobicContact CG-CD1 4.47Å; M399-F451 HydrophobicContact CG-CE1 4.46Å; M399-F451 HydrophobicContact SD-CB 4.27Å; M399-F451 HydrophobicContact SD-CD1 4.19Å; M399-F451 HydrophobicContact SD-CD2 4.14Å; M399-F451 HydrophobicContact SD-CG 3.93Å; L441-F451 HydrophobicContact CD1-CE2 4.31Å; L441-F451 HydrophobicContact CD1-CZ 4.44Å; L441-F451 HydrophobicContact CD2-CD2 4Å; L441-F451 HydrophobicContact CD2-CE2 3.46Å; L441-F451 VanDerWaalsContact CD2-CE2 3.46Å; L441-F451 HydrophobicContact CD2-CZ 4.34Å; L441-F451 HydrophobicContact CG-CE2 4.47Å; M447-F451 HydrophobicContact CE-CE2 4.22Å; M447-F451 WeakPolarHBondContact O-CB 3.39Å; M447-F451 WeakPolarHBondContact O-CD2 3.27Å; M447-F451 PolarHBondContact O-N 3.22Å; K448-F451 PolarHBondContact O-N 2.84Å; F451-K453 PolarHBondContact O-N 2.86Å; F451-G455 WeakPolarHBondContact O-CA 3.41Å; F451-G455 PolarHBondContact O-N 3.34Å; F451-L516 HydrophobicContact CD1-CD2 4.07Å; F451-L516 HydrophobicContact CD2-CD1 3.99Å; F451-L516 HydrophobicContact CD2-CD2 4.08Å; F451-L516 HydrophobicContact CD2-CG 4.44Å; F451-L516 HydrophobicContact CE1-CD2 4.12Å; F451-L516 HydrophobicContact CE2-CD1 3.71Å; F451-L516 HydrophobicContact CE2-CD2 4.12Å; F451-L516 HydrophobicContact CE2-CG 4.08Å; F451-L516 HydrophobicContact CG-CD2 4.06Å; F451-L516 HydrophobicContact CZ-CD1 4.3Å; F451-L516 HydrophobicContact CZ-CD2 4.16Å; F451-L516 HydrophobicContact CZ-CG 4.19Å; F451-V520 HydrophobicContact CE2-CG2 3.46Å; F451-V520 VanDerWaalsContact CE2-CG2 3.46Å; F451-V520 HydrophobicContact CZ-CG1 4.41Å; F451-V520 HydrophobicContact CZ-CG2 3.56Å
452G88Confident89.8Confident44 Ų4448.7 Ų48.745%0.45427%0.269SS..Hα-helixtrans-62.1-30.6176.200000113.1K448 S449 V450K448-G452 PolarHBondContact O-N 3.19Å; S449-G452 PolarHBondContact O-N 3.34Å; V450-G452 VanDerWaalsContact C-N 3.32Å; V450-G452 PolarHBondContact O-N 2.76Å
453K90Very high89.4Confident161 Ų16153.2 Ų53.270%0.729%0.293SS*.Hα-helixtrans-82.6-43.6179.7-65.9174.3-173.3177.50112.8S449 V450 F451S449-K453 WeakPolarHBondContact O-CG 3.37Å; S449-K453 PolarHBondContact O-N 2.05Å; V450-K453 PolarHBondContact O-N 3.11Å; F451-K453 PolarHBondContact O-N 2.86Å
454S90.4Very high89.1Confident10 Ų1048.6 Ų48.67%0.0728%0.278CS..Hα-helixtrans-108.7-19.5-169.8-56.60000114.2V450 A456 C457 L458 S513V450-S454 PolarHBondContact O-N 3.35Å; V450-S454 VanDerWaalsContact O-N 3.15Å; S454-A456 PolarHBondContact O-N 3.21Å; S454-C457 PolarHBondContact O-N 3.26Å; S454-L458 WeakPolarHBondContact O-CB 3.35Å; S454-L458 WeakPolarHBondContact O-CG 3.24Å; S454-L458 PolarHBondContact O-N 2.97Å; S454-S513 WeakPolarHBondContact CB-OG 3.4Å
455G87Confident88.5Confident0 Ų046.9 Ų46.90%027%0.27CS..Hα-helixtrans-64.1-38.1-169.700000114.3F451 L458 A459F451-G455 WeakPolarHBondContact O-CA 3.41Å; F451-G455 PolarHBondContact O-N 3.34Å; G455-L458 PolarHBondContact O-N 3.05Å; G455-A459 WeakPolarHBondContact O-CB 3.44Å; G455-A459 PolarHBondContact O-N 2.86Å
456A87.9Confident87.7Confident42 Ų4242.7 Ų42.735%0.34726%0.257SS..Hα-helixtrans-62.5-47.2178.400000111.6P402 S454 I460P402-A456 HydrophobicContact CG-CB 3.85Å; S454-A456 PolarHBondContact O-N 3.21Å; A456-I460 WeakPolarHBondContact O-CD1 3.26Å; A456-I460 WeakPolarHBondContact O-CG1 3.38Å; A456-I460 PolarHBondContact O-N 3.04Å
457C92.3Very high86.7Confident43 Ų4344.7 Ų44.729%0.29127%0.269SS..Hα-helixtrans-65.9-44.2178.2-1740000111.2S454 I460 T461 R508 C509S454-C457 PolarHBondContact O-N 3.26Å; C457-I460 PolarHBondContact O-N 2.89Å; C457-T461 VanDerWaalsContact O-CB 3.26Å; C457-T461 WeakPolarHBondContact O-CB 3.46Å; C457-T461 PolarHBondContact O-N 3.19Å; C457-T461 PolarHBondContact O-OG1 2.88Å; C457-R508 PolarHBondContact SG-O 3.12Å; C457-R508 VanDerWaalsContact SG-O 3.4Å; C457-C509 HydrophobicContact CB-CB 3.82Å; C457-C509 WeakPolarHBondContact CB-SG 2.91Å; C457-C509 PolarHBondContact O-SG 3.23Å; C457-C509 WeakPolarHBondContact SG-CA 3.16Å; C457-C509 WeakPolarHBondContact SG-CB 3.46Å; C457-C509 CovalentContact SG-SG 2.04Å; C457-C509 PolarHBondContact SG-SG 2.84Å
458L91.9Very high85.8Confident0 Ų046.7 Ų46.70%030%0.295CS..Hα-helixtrans-56.2-52177-85.8163.4000111.6T397 S454 G455 I460 T461 I462 V505 L516 L517T397-L458 HydrophobicContact CG2-CB 4.2Å; T397-L458 HydrophobicContact CG2-CD1 4.46Å; S454-L458 WeakPolarHBondContact O-CB 3.35Å; S454-L458 WeakPolarHBondContact O-CG 3.24Å; S454-L458 PolarHBondContact O-N 2.97Å; G455-L458 PolarHBondContact O-N 3.05Å; L458-I460 PolarHBondContact O-N 3.27Å; L458-T461 PolarHBondContact O-N 2.82Å; L458-I462 HydrophobicContact CB-CD1 4.39Å; L458-I462 HydrophobicContact CD2-CD1 4.33Å; L458-I462 WeakPolarHBondContact O-CB 3.29Å; L458-I462 WeakPolarHBondContact O-CD1 3.42Å; L458-I462 WeakPolarHBondContact O-CG1 3.42Å; L458-I462 PolarHBondContact O-N 3.02Å; L458-V505 HydrophobicContact CD2-CB 4.42Å; L458-V505 HydrophobicContact CD2-CG1 3.48Å; L458-V505 VanDerWaalsContact CD2-CG1 3.48Å; L458-V505 HydrophobicContact CD2-CG2 3.96Å; L458-L516 HydrophobicContact CD1-CB 4.4Å; L458-L516 HydrophobicContact CD1-CD2 3.8Å; L458-L516 HydrophobicContact CD1-CG 4.38Å; L458-L517 HydrophobicContact CD2-CB 4.3Å
459A87.7Confident85.3Confident10 Ų1052.5 Ų52.58%0.08333%0.325CS..Hα-helixtrans-57.6-50.3-17900000111.7G455 T461 I462 D463G455-A459 WeakPolarHBondContact O-CB 3.44Å; G455-A459 PolarHBondContact O-N 2.86Å; A459-T461 VanDerWaalsContact C-N 3.33Å; A459-T461 PolarHBondContact O-N 3.4Å; A459-I462 PolarHBondContact O-N 3.27Å; A459-D463 WeakPolarHBondContact O-CB 3.15Å; A459-D463 PolarHBondContact O-N 3.29Å
460I89.3Confident84.8Confident119 Ų11950 Ų5061%0.6131%0.307SS*.Hα-helixtrans-61.2-43.2178.8-65.7167.4000111.1A456 C457 L458 S464A456-I460 WeakPolarHBondContact O-CD1 3.26Å; A456-I460 WeakPolarHBondContact O-CG1 3.38Å; A456-I460 PolarHBondContact O-N 3.04Å; C457-I460 PolarHBondContact O-N 2.89Å; L458-I460 PolarHBondContact O-N 3.27Å; I460-S464 WeakPolarHBondContact O-CB 3.35Å; I460-S464 PolarHBondContact O-N 2.79Å; I460-S464 PolarHBondContact O-OG 3.08Å
461T91Very high84.2Confident3 Ų353.2 Ų53.22%0.01832%0.323CS..Hα-helixtrans-68.7-44.5-176.9-61.80000111.3C457 L458 A459 S464 A465 A504 V505 R508 C509C457-T461 VanDerWaalsContact O-CB 3.26Å; C457-T461 WeakPolarHBondContact O-CB 3.46Å; C457-T461 PolarHBondContact O-N 3.19Å; C457-T461 PolarHBondContact O-OG1 2.88Å; L458-T461 PolarHBondContact O-N 2.82Å; A459-T461 VanDerWaalsContact C-N 3.33Å; A459-T461 PolarHBondContact O-N 3.4Å; T461-S464 PolarHBondContact O-N 3.13Å; T461-S464 PolarHBondContact O-OG 3.06Å; T461-A465 WeakPolarHBondContact O-CB 3.11Å; T461-A465 PolarHBondContact O-N 3.26Å; T461-A504 HydrophobicContact CG2-CB 4.02Å; T461-V505 HydrophobicContact CG2-CG2 3.93Å; T461-R508 HydrophobicContact CG2-CB 4.33Å; T461-C509 PolarHBondContact OG1-SG 3.11Å
462I88.2Confident83.4Confident2 Ų253.4 Ų53.41%0.0132%0.324CS..Hα-helixtrans-60.9-48.9177-69.8165000110.5F396 T397 L458 A459 S464 A465 A466 I501 V505 L517F396-I462 HydrophobicContact CB-CD1 4.33Å; F396-I462 HydrophobicContact CD2-CG2 3.58Å; F396-I462 HydrophobicContact CE2-CG2 4.21Å; F396-I462 HydrophobicContact CG-CG2 4.46Å; T397-I462 HydrophobicContact CG2-CD1 3.36Å; L458-I462 HydrophobicContact CB-CD1 4.39Å; L458-I462 HydrophobicContact CD2-CD1 4.33Å; L458-I462 WeakPolarHBondContact O-CB 3.29Å; L458-I462 WeakPolarHBondContact O-CD1 3.42Å; L458-I462 WeakPolarHBondContact O-CG1 3.42Å; L458-I462 PolarHBondContact O-N 3.02Å; A459-I462 PolarHBondContact O-N 3.27Å; I462-S464 VanDerWaalsContact C-N 3.25Å; I462-S464 PolarHBondContact O-N 3.38Å; I462-A465 PolarHBondContact O-N 2.92Å; I462-A466 WeakPolarHBondContact O-CB 3.35Å; I462-A466 PolarHBondContact O-N 3.43Å; I462-I501 HydrophobicContact CG1-CG2 3.87Å; I462-V505 HydrophobicContact CG1-CG2 4.48Å; I462-L517 HydrophobicContact CD1-CD1 4.25Å
463D83.8Confident82.2Confident97 Ų9754.8 Ų54.852%0.51933%0.326SS..Hα-helixtrans-61.2-37.6179.3-68.5-11.7000111N394 A459 A466N394-D463 PolarHBondContact ND2-OD1 3.05Å; N394-D463 VanDerWaalsContact ND2-OD1 3.14Å; A459-D463 WeakPolarHBondContact O-CB 3.15Å; A459-D463 PolarHBondContact O-N 3.29Å; D463-A466 WeakPolarHBondContact O-CB 3.37Å
464S85.8Confident80.8Confident37 Ų3750.2 Ų50.226%0.25931%0.305SS..Hα-helixtrans-71.1-40.2175.477.10000113.2I460 T461 I462 A466 T467 R508I460-S464 WeakPolarHBondContact O-CB 3.35Å; I460-S464 PolarHBondContact O-N 2.79Å; I460-S464 PolarHBondContact O-OG 3.08Å; T461-S464 PolarHBondContact O-N 3.13Å; T461-S464 PolarHBondContact O-OG 3.06Å; I462-S464 VanDerWaalsContact C-N 3.25Å; I462-S464 PolarHBondContact O-N 3.38Å; S464-A466 VanDerWaalsContact C-N 3.29Å; S464-A466 PolarHBondContact O-N 3.37Å; S464-T467 PolarHBondContact O-N 3.08Å; S464-T467 PolarHBondContact O-OG1 3.37Å; S464-R508 PolarHBondContact OG-NH1 3.45Å
465A80.1Confident79Confident9 Ų957.2 Ų57.27%0.07434%0.342CS..Hα-helixtrans-66.1-34.8179.600000111.6T461 I462 T467 G468 M469 C470 A504T461-A465 WeakPolarHBondContact O-CB 3.11Å; T461-A465 PolarHBondContact O-N 3.26Å; I462-A465 PolarHBondContact O-N 2.92Å; A465-T467 PolarHBondContact O-N 3.43Å; A465-G468 PolarHBondContact O-N 3.12Å; A465-M469 PolarHBondContact O-N 3.37Å; A465-C470 PolarHBondContact O-N 3.42Å; A465-A504 HydrophobicContact CB-CB 4.41Å
466A71.8Confident77.3Confident39 Ų3962.8 Ų62.832%0.32237%0.372SS..Hα-helixtrans-55.7-31.2173.900000113.2I462 D463 S464 L472I462-A466 WeakPolarHBondContact O-CB 3.35Å; I462-A466 PolarHBondContact O-N 3.43Å; D463-A466 WeakPolarHBondContact O-CB 3.37Å; S464-A466 VanDerWaalsContact C-N 3.29Å; S464-A466 PolarHBondContact O-N 3.37Å; A466-L472 VanDerWaalsContact CA-CD1 3.41Å; A466-L472 HydrophobicContact CB-CB 4.17Å; A466-L472 HydrophobicContact CB-CD1 3.47Å; A466-L472 VanDerWaalsContact CB-CD1 3.47Å; A466-L472 HydrophobicContact CB-CG 4.17Å
467T70Confident75.9Confident126 Ų12663.9 Ų63.977%0.77337%0.372SS*.Hα-helixtrans-90-17.3-176.262.50000114.2S464 A465S464-T467 PolarHBondContact O-N 3.08Å; S464-T467 PolarHBondContact O-OG1 3.37Å; A465-T467 PolarHBondContact O-N 3.43Å
468G71.3Confident74.1Confident61 Ų6164.6 Ų64.663%0.62937%0.372SS*.Hα-helixtrans-118.5-40.6-162.900000116.7A465A465-G468 PolarHBondContact O-N 3.12Å
469M76.5Confident72.5Confident181 Ų18165 Ų6589%0.89237%0.374SS*.THydrogen-bonded Turntrans-141.9-33.5-165.1-59.9-168.6-161.100114.7A465A465-M469 PolarHBondContact O-N 3.37Å
470C81.4Confident71.2Confident10 Ų1065 Ų657%0.06837%0.372CS..SBendtrans-94.6127.7179-59.70000108.7A465 L472 C500 I501A465-C470 PolarHBondContact O-N 3.42Å; C470-L472 HydrophobicContact CB-CD1 4.45Å; C470-L472 HydrophobicContact CB-CD2 3.65Å; C470-L472 HydrophobicContact CB-CG 3.8Å; C470-L472 PolarHBondContact O-N 3.21Å; C470-C500 WeakPolarHBondContact CA-SG 3.44Å; C470-C500 HydrophobicContact CB-CB 3.95Å; C470-C500 WeakPolarHBondContact CB-SG 3.29Å; C470-C500 WeakPolarHBondContact SG-CB 3.45Å; C470-C500 CovalentContact SG-SG 2.04Å; C470-C500 PolarHBondContact SG-SG 2.92Å; C470-I501 HydrophobicContact CB-CG1 4.45Å
471D75.2Confident69.9Low122 Ų12259.6 Ų59.665%0.65235%0.345SS*.  trans-67.381.9166.2-176.111.8000108.6S473D471-S473 WeakPolarHBondContact OD1-CB 3.27Å; D471-S473 PolarHBondContact OD1-N 3.21Å; D471-S473 PolarHBondContact OD1-OG 3.21Å
472L71.9Confident68.3Low5 Ų560.5 Ų60.53%0.02636%0.355CS..  trans-93.413.1166.8-48.2-170.7000109.4F396 A466 C470 Y474 M497 I501F396-L472 HydrophobicContact CE2-CD1 3.72Å; F396-L472 HydrophobicContact CE2-CD2 4.42Å; F396-L472 HydrophobicContact CZ-CD1 4.07Å; F396-L472 HydrophobicContact CZ-CD2 3.92Å; F396-L472 HydrophobicContact CZ-CG 4.43Å; A466-L472 VanDerWaalsContact CA-CD1 3.41Å; A466-L472 HydrophobicContact CB-CB 4.17Å; A466-L472 HydrophobicContact CB-CD1 3.47Å; A466-L472 VanDerWaalsContact CB-CD1 3.47Å; A466-L472 HydrophobicContact CB-CG 4.17Å; C470-L472 HydrophobicContact CB-CD1 4.45Å; C470-L472 HydrophobicContact CB-CD2 3.65Å; C470-L472 HydrophobicContact CB-CG 3.8Å; C470-L472 PolarHBondContact O-N 3.21Å; L472-Y474 HydrophobicContact CB-CE2 4.29Å; L472-Y474 WeakPolarHBondContact O-CD2 3.41Å; L472-Y474 WeakPolarHBondContact O-CE2 3.39Å; L472-Y474 PolarHBondContact O-N 2.82Å; L472-M497 HydrophobicContact CD2-CB 4.25Å; L472-M497 HydrophobicContact CD2-CG 4.01Å; L472-I501 HydrophobicContact CD1-CD1 3.76Å; L472-I501 HydrophobicContact CD1-CG1 4.25Å; L472-I501 HydrophobicContact CD2-CD1 3.92Å; L472-I501 HydrophobicContact CD2-CG1 4.29Å
473S62.5Low66.9Low73 Ų7365.4 Ų65.451%0.5138%0.38SS..  trans-59.7115.4-178.273.40000108.9D471 D475D471-S473 WeakPolarHBondContact OD1-CB 3.27Å; D471-S473 PolarHBondContact OD1-N 3.21Å; D471-S473 PolarHBondContact OD1-OG 3.21Å; S473-D475 VanDerWaalsContact C-N 3.3Å
474Y60.7Low65.6Low66 Ų6662 Ų6226%0.25936%0.361SS..  trans-88.43.9-169.1-76.2-80.7000112.7K395 F396 L472 D476 D477K395-Y474 HydrophobicContact CD-CD1 4.03Å; K395-Y474 HydrophobicContact CD-CE1 3.42Å; K395-Y474 VanDerWaalsContact CD-CE1 3.42Å; K395-Y474 HydrophobicContact CD-CE2 4.32Å; F396-Y474 WeakPolarHBondContact CE2-OH 3.46Å; F396-Y474 VanDerWaalsContact CZ-OH 3.29Å; F396-Y474 WeakPolarHBondContact CZ-OH 2.97Å; L472-Y474 HydrophobicContact CB-CE2 4.29Å; L472-Y474 WeakPolarHBondContact O-CD2 3.41Å; L472-Y474 WeakPolarHBondContact O-CE2 3.39Å; L472-Y474 PolarHBondContact O-N 2.82Å; Y474-D476 CarbonylContact O-C 3.57Å; Y474-D476 PolarHBondContact O-N 3.16Å; Y474-D477 PolarHBondContact O-N 3.29Å
475D52.1Low64.1Low157 Ų15767.3 Ų67.384%0.8439%0.387SS*.SBendtrans-54.3-27.2-172.1-76.1-19.4000111.9S473S473-D475 VanDerWaalsContact C-N 3.3Å
476D51.6Low63Low116 Ų11672.6 Ų72.662%0.6241%0.414SS*.SBendtrans-10491.6160.2-54.5-42.2000109.5Y474 I478Y474-D476 CarbonylContact O-C 3.57Å; Y474-D476 PolarHBondContact O-N 3.16Å; D476-I478 HydrophobicContact CB-CD1 3.65Å; D476-I478 HydrophobicContact CB-CG1 3.66Å; D476-I478 WeakPolarHBondContact O-CG1 3.44Å; D476-I478 PolarHBondContact O-N 3.12Å
477D58.4Low62.4Low66 Ų6672.1 Ų72.135%0.35341%0.413SS..  trans-58.823.2178.5-101.2-33.7000113.7K395 Y474 I479 W480 S481K395-D477 IonicContact NZ-OD1 3.93Å; K395-D477 PolarHBondContact NZ-OD1 3.06Å; Y474-D477 PolarHBondContact O-N 3.29Å; D477-I479 VanDerWaalsContact C-N 3.31Å; D477-I479 PolarHBondContact O-N 3.16Å; D477-I479 VanDerWaalsContact O-N 3.08Å; D477-W480 PolarHBondContact O-N 2.93Å; D477-S481 VanDerWaalsContact C-OG 3.26Å; D477-S481 VanDerWaalsContact O-CB 3.27Å; D477-S481 WeakPolarHBondContact O-CB 3.36Å; D477-S481 PolarHBondContact O-N 3.39Å; D477-S481 PolarHBondContact O-OG 3.26Å
478I55.5Low62Low58 Ų5871.4 Ų71.430%0.29740%0.404SS..THydrogen-bonded Turntrans-52.2-42.8-164.1-54.8167.7000112.1D476 M484D476-I478 HydrophobicContact CB-CD1 3.65Å; D476-I478 HydrophobicContact CB-CG1 3.66Å; D476-I478 WeakPolarHBondContact O-CG1 3.44Å; D476-I478 PolarHBondContact O-N 3.12Å; I478-M484 HydrophobicContact CB-CE 4.14Å; I478-M484 HydrophobicContact CG2-CE 3.56Å; I478-M484 HydrophobicContact CG2-CG 4Å; I478-M484 HydrophobicContact CG2-SD 3.52Å; I478-M484 VanDerWaalsContact CG2-SD 3.52Å; I478-M484 WeakPolarHBondContact O-CG 3.39Å
479I57.3Low62.3Low8 Ų870.7 Ų70.74%0.04139%0.39CS..THydrogen-bonded Turntrans-70.2-44.2-178.3-59.6169000111.2D477 M484 K493 L494 M497D477-I479 VanDerWaalsContact C-N 3.31Å; D477-I479 PolarHBondContact O-N 3.16Å; D477-I479 VanDerWaalsContact O-N 3.08Å; I479-M484 VanDerWaalsContact CA-CE 3.44Å; I479-M484 HydrophobicContact CB-CE 3.86Å; I479-M484 HydrophobicContact CG1-CE 3.22Å; I479-K493 HydrophobicContact CD1-CB 4.22Å; I479-K493 HydrophobicContact CD1-CD 4.1Å; I479-K493 HydrophobicContact CD1-CG 4Å; I479-K493 HydrophobicContact CG1-CD 4.22Å; I479-L494 HydrophobicContact CD1-CB 4.38Å; I479-M497 HydrophobicContact CD1-CE 4.43Å; I479-M497 HydrophobicContact CD1-SD 3.81Å
480W60Low62.6Low11 Ų1162.1 Ų62.14%0.04235%0.348CS..THydrogen-bonded Turntrans-102.8-16.2-165.6-55.8101000114.4K395 F398 Y430 D477 G482 F524K395-W480 WeakPolarHBondContact O-CH2 3.26Å; K395-W480 WeakPolarHBondContact O-CZ2 3.07Å; F398-W480 AromaticContact CE1-CH2 3.94Å; F398-W480 HydrophobicContact CE1-CH2 3.94Å; F398-W480 AromaticContact CE1-CZ3 3.66Å; F398-W480 HydrophobicContact CE1-CZ3 3.66Å; F398-W480 HydrophobicContact CE2-CH2 4.08Å; F398-W480 AromaticContact CZ-CH2 3.43Å; F398-W480 HydrophobicContact CZ-CH2 3.43Å; F398-W480 VanDerWaalsContact CZ-CH2 3.43Å; F398-W480 AromaticContact CZ-CZ3 3.64Å; F398-W480 HydrophobicContact CZ-CZ3 3.64Å; Y430-W480 WeakPolarHBondContact CE1-O 3.37Å; Y430-W480 HydrophobicContact CE2-CB 4.25Å; Y430-W480 HydrophobicContact CE2-CD2 4.18Å; Y430-W480 AromaticContact CE2-CE3 3.4Å; Y430-W480 HydrophobicContact CE2-CE3 3.4Å; Y430-W480 AromaticContact CE2-CZ3 3.99Å; Y430-W480 HydrophobicContact CE2-CZ3 3.99Å; Y430-W480 AromaticContact CZ-CE3 3.77Å; Y430-W480 VanDerWaalsContact OH-CE3 3.3Å; Y430-W480 PolarHBondContact OH-O 3.1Å; D477-W480 PolarHBondContact O-N 2.93Å; W480-G482 PolarHBondContact O-N 3.01Å; W480-F524 HydrophobicContact CH2-CD1 4.44Å; W480-F524 HydrophobicContact CH2-CE1 4.23Å; W480-F524 HydrophobicContact CH2-CZ 4.26Å; W480-F524 HydrophobicContact CZ3-CD2 4.43Å; W480-F524 HydrophobicContact CZ3-CE1 4.23Å; W480-F524 AromaticContact CZ3-CE2 3.9Å; W480-F524 HydrophobicContact CZ3-CE2 3.9Å; W480-F524 AromaticContact CZ3-CZ 3.79Å; W480-F524 HydrophobicContact CZ3-CZ 3.79Å
481S62.5Low62.9Low5 Ų562.6 Ų62.64%0.03535%0.35CS..SBendtrans-76.6-10.3169.855.20000113.2D477 L483D477-S481 VanDerWaalsContact C-OG 3.26Å; D477-S481 VanDerWaalsContact O-CB 3.27Å; D477-S481 WeakPolarHBondContact O-CB 3.36Å; D477-S481 PolarHBondContact O-N 3.39Å; D477-S481 PolarHBondContact O-OG 3.26Å; S481-L483 PolarHBondContact O-N 2.88Å; S481-L483 WeakPolarHBondContact OG-CB 3.27Å; S481-L483 PolarHBondContact OG-N 3.12Å
482G58.1Low63.6Low22 Ų2265.1 Ų65.123%0.22735%0.351CS..SBendtrans74.82.9-173.300000114.7W480 M484W480-G482 PolarHBondContact O-N 3.01Å; G482-M484 PolarHBondContact O-N 3.19Å; G482-M484 VanDerWaalsContact O-N 3.16Å
483L58.4Low64.3Low105 Ų10568.1 Ų68.155%0.5536%0.364SS..  trans-80.324.1-179.2-79.1154.8000114.4S481 D485S481-L483 PolarHBondContact O-N 2.88Å; S481-L483 WeakPolarHBondContact OG-CB 3.27Å; S481-L483 PolarHBondContact OG-N 3.12Å; L483-D485 PolarHBondContact O-N 2.99Å; L483-D485 VanDerWaalsContact O-N 3.1Å
484M56.3Low65.6Low24 Ų2464.7 Ų64.712%0.11834%0.34CS..  trans-68110.3178.2-80.1-82.6173.700110.7I478 I479 G482 N486 S489 A490 Y528I478-M484 HydrophobicContact CB-CE 4.14Å; I478-M484 HydrophobicContact CG2-CE 3.56Å; I478-M484 HydrophobicContact CG2-CG 4Å; I478-M484 HydrophobicContact CG2-SD 3.52Å; I478-M484 VanDerWaalsContact CG2-SD 3.52Å; I478-M484 WeakPolarHBondContact O-CG 3.39Å; I479-M484 VanDerWaalsContact CA-CE 3.44Å; I479-M484 HydrophobicContact CB-CE 3.86Å; I479-M484 HydrophobicContact CG1-CE 3.22Å; G482-M484 PolarHBondContact O-N 3.19Å; G482-M484 VanDerWaalsContact O-N 3.16Å; M484-N486 PolarHBondContact O-N 3.43Å; M484-S489 PolarHBondContact SD-OG 2.03Å; M484-A490 HydrophobicContact CE-CB 3.45Å; M484-A490 VanDerWaalsContact CE-CB 3.45Å; M484-A490 HydrophobicContact CG-CB 3.92Å; M484-A490 WeakPolarHBondContact SD-CA 3.44Å; M484-A490 HydrophobicContact SD-CB 3.4Å; M484-A490 WeakPolarHBondContact SD-CB 3.42Å; M484-A490 PolarHBondContact SD-N 3.45Å; M484-A490 VanDerWaalsContact SD-N 3.38Å; M484-Y528 WeakPolarHBondContact CB-OH 3.31Å; M484-Y528 WeakPolarHBondContact CG-OH 3.44Å
485D54.9Low67.1Low149 Ų14963.5 Ų63.580%0.79734%0.341SS*.SBendtrans-67.6-14176.8-87.7-20.7000113.7L483L483-D485 PolarHBondContact O-N 2.99Å; L483-D485 VanDerWaalsContact O-N 3.1Å
486N56.5Low68.9Low121 Ų12159.9 Ų59.965%0.64733%0.328SS*.SBendtrans-164.7133.9170.5-74.5-56.2000110.5M484 D488 S489M484-N486 PolarHBondContact O-N 3.43Å; N486-D488 VanDerWaalsContact C-N 3.26Å; N486-D488 PolarHBondContact O-N 3.49Å; N486-D488 VanDerWaalsContact O-N 3.12Å; N486-S489 PolarHBondContact O-N 3.29Å; N486-S489 PolarHBondContact O-OG 3.31Å
487G58.4Low70.7Confident28 Ų2855.1 Ų55.129%0.28930%0.302SS..Hα-helixtrans-52.6-34.2-176.700000115.6S489 A490 C491G487-S489 PolarHBondContact O-N 3.43Å; G487-S489 VanDerWaalsContact O-N 3.11Å; G487-A490 WeakPolarHBondContact O-CB 3.44Å; G487-A490 PolarHBondContact O-N 3.2Å; G487-C491 PolarHBondContact O-N 2.9Å
488D61.8Low72.4Confident112 Ų11252 Ų5260%0.59929%0.285SS*.Hα-helixtrans-57.8-27.4176.8-71.7-19000113.9N486 R492N486-D488 VanDerWaalsContact C-N 3.26Å; N486-D488 PolarHBondContact O-N 3.49Å; N486-D488 VanDerWaalsContact O-N 3.12Å; D488-R492 WeakPolarHBondContact O-CG 3.26Å; D488-R492 PolarHBondContact O-NE 2.89Å
489S77.5Confident74.2Confident46 Ų4652 Ų5232%0.32229%0.291SS..Hα-helixtrans-78-32.7176.6670000111.8M484 N486 G487 K493M484-S489 PolarHBondContact SD-OG 2.03Å; N486-S489 PolarHBondContact O-N 3.29Å; N486-S489 PolarHBondContact O-OG 3.31Å; G487-S489 PolarHBondContact O-N 3.43Å; G487-S489 VanDerWaalsContact O-N 3.11Å; S489-K493 WeakPolarHBondContact O-CB 3.39Å; S489-K493 PolarHBondContact O-N 3.4Å
490A82.7Confident75.8Confident1 Ų154 Ų541%0.00831%0.305CS..Hα-helixtrans-66.2-54177.800000111.8M484 G487 R492 K493 L494 M525 Y528M484-A490 HydrophobicContact CE-CB 3.45Å; M484-A490 VanDerWaalsContact CE-CB 3.45Å; M484-A490 HydrophobicContact CG-CB 3.92Å; M484-A490 WeakPolarHBondContact SD-CA 3.44Å; M484-A490 HydrophobicContact SD-CB 3.4Å; M484-A490 WeakPolarHBondContact SD-CB 3.42Å; M484-A490 PolarHBondContact SD-N 3.45Å; M484-A490 VanDerWaalsContact SD-N 3.38Å; G487-A490 WeakPolarHBondContact O-CB 3.44Å; G487-A490 PolarHBondContact O-N 3.2Å; A490-R492 PolarHBondContact O-N 3.15Å; A490-K493 PolarHBondContact O-N 3.19Å; A490-L494 WeakPolarHBondContact O-CB 3.29Å; A490-L494 PolarHBondContact O-N 2.84Å; A490-M525 HydrophobicContact CB-CE 4.49Å; A490-Y528 HydrophobicContact CB-CD1 4.42Å; A490-Y528 HydrophobicContact CB-CE1 3.75Å
491C88.8Confident77.4Confident19 Ų1953.4 Ų53.413%0.12830%0.303CS..Hα-helixtrans-59.6-46.9-176.4-172.20000111.5G487 S495 M525 C532G487-C491 PolarHBondContact O-N 2.9Å; C491-S495 WeakPolarHBondContact O-CB 3.47Å; C491-S495 PolarHBondContact O-N 3.07Å; C491-M525 HydrophobicContact CB-CE 4.1Å; C491-C532 VanDerWaalsContact CA-SG 3.56Å; C491-C532 HydrophobicContact CB-CB 3.61Å; C491-C532 WeakPolarHBondContact CB-SG 3.48Å; C491-C532 WeakPolarHBondContact SG-CA 3.4Å; C491-C532 WeakPolarHBondContact SG-CB 3.41Å; C491-C532 CovalentContact SG-SG 2.03Å; C491-C532 PolarHBondContact SG-SG 3.49Å
492R88.9Confident78.9Confident176 Ų17653.2 Ų53.266%0.66430%0.301SS*.Hα-helixtrans-65.2-42.9178.1-74-176.2-68.4174.8-2.3112.5D488 A490 S495 S496D488-R492 WeakPolarHBondContact O-CG 3.26Å; D488-R492 PolarHBondContact O-NE 2.89Å; A490-R492 PolarHBondContact O-N 3.15Å; R492-S495 PolarHBondContact O-N 3.13Å; R492-S496 WeakPolarHBondContact O-CB 3.46Å; R492-S496 PolarHBondContact O-N 3.44Å
493K86.9Confident80.6Confident67 Ų6759.1 Ų59.129%0.29132%0.323SS..Hα-helixtrans-63.9-46.4178.7-168.4174.7-177.5178.80110.6I479 S489 A490 S496 M497I479-K493 HydrophobicContact CD1-CB 4.22Å; I479-K493 HydrophobicContact CD1-CD 4.1Å; I479-K493 HydrophobicContact CD1-CG 4Å; I479-K493 HydrophobicContact CG1-CD 4.22Å; S489-K493 WeakPolarHBondContact O-CB 3.39Å; S489-K493 PolarHBondContact O-N 3.4Å; A490-K493 PolarHBondContact O-N 3.19Å; K493-S496 PolarHBondContact O-N 3.46Å; K493-M497 HydrophobicContact CD-CE 4.26Å; K493-M497 HydrophobicContact CG-CE 3.96Å; K493-M497 HydrophobicContact CG-SD 4.34Å; K493-M497 VanDerWaalsContact O-CG 3.31Å; K493-M497 WeakPolarHBondContact O-CG 3.32Å; K493-M497 PolarHBondContact O-N 3.47Å
494L89.7Confident82.2Confident1 Ų155.1 Ų55.11%0.00531%0.305CS..Hα-helixtrans-64.4-46177.2-176.260.6000111.9F396 I479 A490 S496 M497 L498 N521 M525 L534F396-L494 HydrophobicContact CD1-CD1 4.28Å; F396-L494 HydrophobicContact CE1-CD1 4.38Å; I479-L494 HydrophobicContact CD1-CB 4.38Å; A490-L494 WeakPolarHBondContact O-CB 3.29Å; A490-L494 PolarHBondContact O-N 2.84Å; L494-S496 VanDerWaalsContact C-N 3.31Å; L494-S496 PolarHBondContact O-N 3.07Å; L494-M497 PolarHBondContact O-N 3.12Å; L494-M497 VanDerWaalsContact O-N 3.13Å; L494-L498 HydrophobicContact CD1-CD1 4.3Å; L494-L498 HydrophobicContact CD1-CD2 4.4Å; L494-L498 HydrophobicContact CD1-CG 4.07Å; L494-L498 HydrophobicContact CG-CD1 4.03Å; L494-L498 HydrophobicContact CG-CG 4.22Å; L494-L498 VanDerWaalsContact O-CG 3.31Å; L494-L498 WeakPolarHBondContact O-CG 3.2Å; L494-L498 PolarHBondContact O-N 3.34Å; L494-N521 HydrophobicContact CD2-CB 4.29Å; L494-M525 HydrophobicContact CD2-CG 3.53Å; L494-M525 HydrophobicContact CD2-SD 3.68Å; L494-L534 HydrophobicContact CD2-CD1 4.04Å; L494-L534 HydrophobicContact CD2-CD2 4.43Å; L494-L534 HydrophobicContact CG-CD2 4.45Å
495S92.3Very high84Confident41 Ų4154 Ų5429%0.28730%0.3SS..Hα-helixtrans-56.4-44.8176175.30000111.8C491 R492 M497 L498 S499C491-S495 WeakPolarHBondContact O-CB 3.47Å; C491-S495 PolarHBondContact O-N 3.07Å; R492-S495 PolarHBondContact O-N 3.13Å; S495-M497 PolarHBondContact O-N 3.45Å; S495-L498 PolarHBondContact O-N 3.31Å; S495-S499 WeakPolarHBondContact O-CB 3.47Å; S495-S499 PolarHBondContact O-N 3.11Å
496S90.7Very high85.9Confident82 Ų8249.4 Ų49.457%0.57328%0.275SS*.Hα-helixtrans-62.5-42.1175.6-172.20000112.4R492 K493 L494 C500R492-S496 WeakPolarHBondContact O-CB 3.46Å; R492-S496 PolarHBondContact O-N 3.44Å; K493-S496 PolarHBondContact O-N 3.46Å; L494-S496 VanDerWaalsContact C-N 3.31Å; L494-S496 PolarHBondContact O-N 3.07Å; S496-C500 PolarHBondContact O-N 2.92Å; S496-C500 VanDerWaalsContact O-N 3.09Å
497M89.8Confident87.7Confident15 Ų1551.3 Ų51.37%0.07428%0.28CS..Hα-helixtrans-64.9-48.3177.7-73.3172.5168.100111.5F396 L472 I479 K493 L494 S495 S499 C500 I501F396-M497 HydrophobicContact CE1-CB 3.97Å; F396-M497 HydrophobicContact CE1-CG 4.46Å; F396-M497 HydrophobicContact CE1-SD 3.89Å; F396-M497 HydrophobicContact CZ-CB 4.45Å; F396-M497 HydrophobicContact CZ-SD 4.06Å; L472-M497 HydrophobicContact CD2-CB 4.25Å; L472-M497 HydrophobicContact CD2-CG 4.01Å; I479-M497 HydrophobicContact CD1-CE 4.43Å; I479-M497 HydrophobicContact CD1-SD 3.81Å; K493-M497 HydrophobicContact CD-CE 4.26Å; K493-M497 HydrophobicContact CG-CE 3.96Å; K493-M497 HydrophobicContact CG-SD 4.34Å; K493-M497 VanDerWaalsContact O-CG 3.31Å; K493-M497 WeakPolarHBondContact O-CG 3.32Å; K493-M497 PolarHBondContact O-N 3.47Å; L494-M497 PolarHBondContact O-N 3.12Å; L494-M497 VanDerWaalsContact O-N 3.13Å; S495-M497 PolarHBondContact O-N 3.45Å; M497-S499 VanDerWaalsContact C-N 3.33Å; M497-S499 PolarHBondContact O-N 3.36Å; M497-C500 PolarHBondContact O-N 3.3Å; M497-I501 VanDerWaalsContact O-CG1 3.28Å; M497-I501 WeakPolarHBondContact O-CG1 3.44Å; M497-I501 PolarHBondContact O-N 3.49Å
498L93.3Very high89.4Confident0 Ų056.8 Ų56.80%029%0.292CS..Hα-helixtrans-61-43.8178.2-66.5179.5000111.1F396 L494 S495 C500 I501 S502 L517 Y518 N521 L534F396-L498 HydrophobicContact CD1-CD2 4.4Å; L494-L498 HydrophobicContact CD1-CD1 4.3Å; L494-L498 HydrophobicContact CD1-CD2 4.4Å; L494-L498 HydrophobicContact CD1-CG 4.07Å; L494-L498 HydrophobicContact CG-CD1 4.03Å; L494-L498 HydrophobicContact CG-CG 4.22Å; L494-L498 VanDerWaalsContact O-CG 3.31Å; L494-L498 WeakPolarHBondContact O-CG 3.2Å; L494-L498 PolarHBondContact O-N 3.34Å; S495-L498 PolarHBondContact O-N 3.31Å; L498-C500 VanDerWaalsContact C-N 3.29Å; L498-C500 PolarHBondContact O-N 2.97Å; L498-I501 PolarHBondContact O-N 3.42Å; L498-S502 WeakPolarHBondContact O-CB 3.37Å; L498-S502 PolarHBondContact O-N 3.09Å; L498-S502 PolarHBondContact O-OG 2.85Å; L498-L517 HydrophobicContact CD2-CD1 3.88Å; L498-L517 HydrophobicContact CD2-CD2 4.03Å; L498-L517 HydrophobicContact CD2-CG 3.81Å; L498-Y518 HydrophobicContact CB-CE1 4.19Å; L498-Y518 HydrophobicContact CB-CE2 4.35Å; L498-Y518 HydrophobicContact CD1-CD1 4.36Å; L498-Y518 HydrophobicContact CD1-CE1 4.15Å; L498-N521 HydrophobicContact CD1-CB 3.71Å; L498-L534 HydrophobicContact CD1-CD1 3.76Å; L498-L534 HydrophobicContact CD1-CD2 4.43Å
499S93.3Very high91Very high58 Ų5852.6 Ų52.641%0.40627%0.271SS..Hα-helixtrans-60.2-39.1176.7-1730000112.1S495 M497 Y518S495-S499 WeakPolarHBondContact O-CB 3.47Å; S495-S499 PolarHBondContact O-N 3.11Å; M497-S499 VanDerWaalsContact C-N 3.33Å; M497-S499 PolarHBondContact O-N 3.36Å; S499-Y518 PolarHBondContact N-OH 3.17Å
500C92.1Very high91.8Very high50 Ų5051.8 Ų51.834%0.33827%0.27SS..Hα-helixtrans-67.6-43.9177.9-174.40000112.1C470 S496 M497 L498 S502C470-C500 WeakPolarHBondContact CA-SG 3.44Å; C470-C500 HydrophobicContact CB-CB 3.95Å; C470-C500 WeakPolarHBondContact CB-SG 3.29Å; C470-C500 WeakPolarHBondContact SG-CB 3.45Å; C470-C500 CovalentContact SG-SG 2.04Å; C470-C500 PolarHBondContact SG-SG 2.92Å; S496-C500 PolarHBondContact O-N 2.92Å; S496-C500 VanDerWaalsContact O-N 3.09Å; M497-C500 PolarHBondContact O-N 3.3Å; L498-C500 VanDerWaalsContact C-N 3.29Å; L498-C500 PolarHBondContact O-N 2.97Å; C500-S502 VanDerWaalsContact C-N 3.34Å; C500-S502 PolarHBondContact O-N 3.19Å
501I93Very high92.4Very high0 Ų057.2 Ų57.20%030%0.295CS..Hα-helixtrans-74.4-27.2-176.9-62.5168.3000111.8F396 I462 C470 L472 M497 L498 E503 A504 V505 L517F396-I501 HydrophobicContact CD1-CD1 4.36Å; F396-I501 HydrophobicContact CD2-CD1 4.2Å; F396-I501 HydrophobicContact CE1-CD1 4.22Å; F396-I501 HydrophobicContact CE2-CD1 4.01Å; F396-I501 HydrophobicContact CG-CD1 4.35Å; F396-I501 HydrophobicContact CZ-CD1 4.05Å; I462-I501 HydrophobicContact CG1-CG2 3.87Å; C470-I501 HydrophobicContact CB-CG1 4.45Å; L472-I501 HydrophobicContact CD1-CD1 3.76Å; L472-I501 HydrophobicContact CD1-CG1 4.25Å; L472-I501 HydrophobicContact CD2-CD1 3.92Å; L472-I501 HydrophobicContact CD2-CG1 4.29Å; M497-I501 VanDerWaalsContact O-CG1 3.28Å; M497-I501 WeakPolarHBondContact O-CG1 3.44Å; M497-I501 PolarHBondContact O-N 3.49Å; L498-I501 PolarHBondContact O-N 3.42Å; I501-E503 VanDerWaalsContact C-N 3.28Å; I501-E503 PolarHBondContact O-N 2.92Å; I501-A504 PolarHBondContact O-N 3.26Å; I501-V505 HydrophobicContact CG2-CG2 3.63Å; I501-V505 WeakPolarHBondContact O-CG2 3.37Å; I501-V505 PolarHBondContact O-N 3.11Å; I501-L517 HydrophobicContact CG2-CD2 4.31Å
502S94.3Very high92.5Very high0 Ų063.1 Ų63.10%032%0.321CS..Hα-helixtrans-59.5-34.9-174.8-67.80000114L498 C500 V505 L506 Y518L498-S502 WeakPolarHBondContact O-CB 3.37Å; L498-S502 PolarHBondContact O-N 3.09Å; L498-S502 PolarHBondContact O-OG 2.85Å; C500-S502 VanDerWaalsContact C-N 3.34Å; C500-S502 PolarHBondContact O-N 3.19Å; S502-V505 PolarHBondContact O-N 2.97Å; S502-L506 VanDerWaalsContact O-CB 3.26Å; S502-L506 WeakPolarHBondContact O-CB 3.42Å; S502-L506 PolarHBondContact O-N 3.23Å; S502-Y518 VanDerWaalsContact OG-CE2 3.27Å; S502-Y518 WeakPolarHBondContact OG-CE2 3.47Å
503E92.3Very high92.8Very high146 Ų14654.9 Ų54.968%0.68229%0.29SS*.Hα-helixtrans-64-48.8177.5-173.2173.7-178.200110.8I501 V505 L506 E507I501-E503 VanDerWaalsContact C-N 3.28Å; I501-E503 PolarHBondContact O-N 2.92Å; E503-V505 PolarHBondContact O-N 2.81Å; E503-L506 PolarHBondContact O-N 2.76Å; E503-E507 PolarHBondContact O-N 3.2Å
504A92.7Very high93.2Very high22 Ų2251.7 Ų51.718%0.18228%0.276CS..Hα-helixtrans-65.1-39177.600000112.4T461 A465 I501 R508T461-A504 HydrophobicContact CG2-CB 4.02Å; A465-A504 HydrophobicContact CB-CB 4.41Å; I501-A504 PolarHBondContact O-N 3.26Å; A504-R508 WeakPolarHBondContact O-CB 3.48Å; A504-R508 WeakPolarHBondContact O-CG 3.34Å; A504-R508 PolarHBondContact O-N 3.49Å; A504-R508 VanDerWaalsContact O-N 3.11Å
505V94.8Very high93.4Very high0 Ų055 Ų550%029%0.294CS..Hα-helixtrans-67.8-42.3177.11710000111.3L458 T461 I462 I501 S502 E503 E507 R508 C509 G510 V514 L517L458-V505 HydrophobicContact CD2-CB 4.42Å; L458-V505 HydrophobicContact CD2-CG1 3.48Å; L458-V505 VanDerWaalsContact CD2-CG1 3.48Å; L458-V505 HydrophobicContact CD2-CG2 3.96Å; T461-V505 HydrophobicContact CG2-CG2 3.93Å; I462-V505 HydrophobicContact CG1-CG2 4.48Å; I501-V505 HydrophobicContact CG2-CG2 3.63Å; I501-V505 WeakPolarHBondContact O-CG2 3.37Å; I501-V505 PolarHBondContact O-N 3.11Å; S502-V505 PolarHBondContact O-N 2.97Å; E503-V505 PolarHBondContact O-N 2.81Å; V505-E507 VanDerWaalsContact C-N 3.35Å; V505-E507 PolarHBondContact O-N 3.39Å; V505-R508 PolarHBondContact O-N 2.94Å; V505-C509 HydrophobicContact CG1-CB 4.21Å; V505-C509 CarbonylContact O-C 3.55Å; V505-C509 VanDerWaalsContact O-CA 3.32Å; V505-C509 WeakPolarHBondContact O-CA 3.4Å; V505-C509 VanDerWaalsContact O-CB 3.31Å; V505-C509 WeakPolarHBondContact O-CB 3.1Å; V505-C509 PolarHBondContact O-N 2.95Å; V505-G510 PolarHBondContact O-N 3.03Å; V505-V514 HydrophobicContact CB-CG2 4.19Å; V505-V514 HydrophobicContact CG1-CG2 3.75Å; V505-L517 HydrophobicContact CG2-CD2 4.48Å
506L94.6Very high93.4Very high52 Ų5253.3 Ų53.327%0.27228%0.282SS..Hα-helixtrans-60.2-48.2176.7-176.973000110.6S502 E503 R508 G510 E511 V514 L539S502-L506 VanDerWaalsContact O-CB 3.26Å; S502-L506 WeakPolarHBondContact O-CB 3.42Å; S502-L506 PolarHBondContact O-N 3.23Å; E503-L506 PolarHBondContact O-N 2.76Å; L506-R508 VanDerWaalsContact C-N 3.35Å; L506-R508 PolarHBondContact O-N 3.3Å; L506-G510 WeakPolarHBondContact O-CA 3.43Å; L506-G510 PolarHBondContact O-N 2.98Å; L506-G510 VanDerWaalsContact O-N 3.09Å; L506-E511 HydrophobicContact CD1-CB 3.93Å; L506-V514 HydrophobicContact CB-CG2 3.92Å; L506-V514 HydrophobicContact CD1-CG2 4.23Å; L506-L539 HydrophobicContact CB-CD1 4.03Å; L506-L539 HydrophobicContact CD1-CD1 4.24Å; L506-L539 HydrophobicContact CD2-CB 3.78Å; L506-L539 HydrophobicContact CD2-CD1 3.67Å; L506-L539 HydrophobicContact CD2-CG 4.15Å; L506-L539 HydrophobicContact CG-CD1 4.18Å
507E93.6Very high93.6Very high161 Ų16149.4 Ų49.475%0.75226%0.255SS*.Hα-helixtrans-61.4-41.9-177.9-171.5-172.517700112.1E503 V505E503-E507 PolarHBondContact O-N 3.2Å; V505-E507 VanDerWaalsContact C-N 3.35Å; V505-E507 PolarHBondContact O-N 3.39Å
508R94.7Very high93.9Very high144 Ų14449.3 Ų49.354%0.54325%0.253SS..Hα-helixtrans-97.3-32.7-171.7-63.8-173.8-175.3175.25.8114.9C457 T461 S464 A504 V505 L506C457-R508 PolarHBondContact SG-O 3.12Å; C457-R508 VanDerWaalsContact SG-O 3.4Å; T461-R508 HydrophobicContact CG2-CB 4.33Å; S464-R508 PolarHBondContact OG-NH1 3.45Å; A504-R508 WeakPolarHBondContact O-CB 3.48Å; A504-R508 WeakPolarHBondContact O-CG 3.34Å; A504-R508 PolarHBondContact O-N 3.49Å; A504-R508 VanDerWaalsContact O-N 3.11Å; V505-R508 PolarHBondContact O-N 2.94Å; L506-R508 VanDerWaalsContact C-N 3.35Å; L506-R508 PolarHBondContact O-N 3.3Å
509C95Very high93.9Very high23 Ų2353.2 Ų53.216%0.15527%0.274CS..Hα-helixtrans-120.6-3.2-170.2-51.40000113.4C457 T461 V505 S513C457-C509 HydrophobicContact CB-CB 3.82Å; C457-C509 WeakPolarHBondContact CB-SG 2.91Å; C457-C509 PolarHBondContact O-SG 3.23Å; C457-C509 WeakPolarHBondContact SG-CA 3.16Å; C457-C509 WeakPolarHBondContact SG-CB 3.46Å; C457-C509 CovalentContact SG-SG 2.04Å; C457-C509 PolarHBondContact SG-SG 2.84Å; T461-C509 PolarHBondContact OG1-SG 3.11Å; V505-C509 HydrophobicContact CG1-CB 4.21Å; V505-C509 CarbonylContact O-C 3.55Å; V505-C509 VanDerWaalsContact O-CA 3.32Å; V505-C509 WeakPolarHBondContact O-CA 3.4Å; V505-C509 VanDerWaalsContact O-CB 3.31Å; V505-C509 WeakPolarHBondContact O-CB 3.1Å; V505-C509 PolarHBondContact O-N 2.95Å; C509-S513 VanDerWaalsContact CB-CB 3.48Å; C509-S513 VanDerWaalsContact CB-OG 3.27Å; C509-S513 WeakPolarHBondContact CB-OG 3.28Å; C509-S513 WeakPolarHBondContact O-CB 3.28Å; C509-S513 PolarHBondContact O-OG 2.87Å
510G94.5Very high93.9Very high30 Ų3050.4 Ų50.431%0.30925%0.254SS..  trans77.6175.4178.200000114.4V505 L506 S513V505-G510 PolarHBondContact O-N 3.03Å; L506-G510 WeakPolarHBondContact O-CA 3.43Å; L506-G510 PolarHBondContact O-N 2.98Å; L506-G510 VanDerWaalsContact O-N 3.09Å; G510-S513 WeakPolarHBondContact O-CB 3.34Å; G510-S513 PolarHBondContact O-N 3.38Å
511E94.3Very high94Very high114 Ų11448 Ų4853%0.53324%0.238SC..Hα-helixtrans-65.8-40.1-172.7-177.1167-159.300113.3L506 S513 V514 D515 K536L506-E511 HydrophobicContact CD1-CB 3.93Å; E511-S513 PolarHBondContact O-N 3.24Å; E511-S513 VanDerWaalsContact O-N 3.14Å; E511-V514 WeakPolarHBondContact O-CA 3.32Å; E511-V514 WeakPolarHBondContact O-CB 3.15Å; E511-V514 PolarHBondContact O-N 2.83Å; E511-D515 PolarHBondContact O-N 3.23Å; E511-K536 IonicContact OE1-NZ 3.67Å; E511-K536 PolarHBondContact OE1-NZ 3.39Å
512E92.5Very high94.1Very high143 Ų14350.1 Ų50.167%0.66825%0.253SS*.Hα-helixtrans-57.6-32178.5-63-176.6178.400112.3D515 L516E512-D515 PolarHBondContact O-N 3.03Å; E512-L516 PolarHBondContact O-N 2.84Å
513S93.9Very high94Very high3 Ų352.7 Ų52.72%0.02127%0.266CS..Hα-helixtrans-72.5-36.8177-63.10000112.1S454 C509 G510 E511 D515 L516 L517S454-S513 WeakPolarHBondContact CB-OG 3.4Å; C509-S513 VanDerWaalsContact CB-CB 3.48Å; C509-S513 VanDerWaalsContact CB-OG 3.27Å; C509-S513 WeakPolarHBondContact CB-OG 3.28Å; C509-S513 WeakPolarHBondContact O-CB 3.28Å; C509-S513 PolarHBondContact O-OG 2.87Å; G510-S513 WeakPolarHBondContact O-CB 3.34Å; G510-S513 PolarHBondContact O-N 3.38Å; E511-S513 PolarHBondContact O-N 3.24Å; E511-S513 VanDerWaalsContact O-N 3.14Å; S513-D515 VanDerWaalsContact C-N 3.35Å; S513-L516 PolarHBondContact O-N 3.22Å; S513-L517 WeakPolarHBondContact O-CB 3.36Å; S513-L517 PolarHBondContact O-N 3.16Å
514V95Very high94.1Very high0 Ų045.8 Ų45.80%023%0.234CC..Hα-helixtrans-64.5-43.4172.4-178.90000109.8V505 L506 E511 L516 L517 Y518 K536 L539V505-V514 HydrophobicContact CB-CG2 4.19Å; V505-V514 HydrophobicContact CG1-CG2 3.75Å; L506-V514 HydrophobicContact CB-CG2 3.92Å; L506-V514 HydrophobicContact CD1-CG2 4.23Å; E511-V514 WeakPolarHBondContact O-CA 3.32Å; E511-V514 WeakPolarHBondContact O-CB 3.15Å; E511-V514 PolarHBondContact O-N 2.83Å; V514-L516 PolarHBondContact O-N 3.44Å; V514-L517 WeakPolarHBondContact O-CB 3.33Å; V514-L517 PolarHBondContact O-N 2.74Å; V514-Y518 HydrophobicContact CG1-CD2 3.95Å; V514-Y518 HydrophobicContact CG1-CE2 4.06Å; V514-Y518 WeakPolarHBondContact O-CD2 3.19Å; V514-Y518 PolarHBondContact O-N 3.33Å; V514-K536 HydrophobicContact CG1-CD 4.29Å; V514-K536 HydrophobicContact CG1-CG 4.26Å; V514-L539 HydrophobicContact CG1-CD1 4.43Å
515D93.9Very high94.1Very high71 Ų7144.8 Ų44.838%0.3823%0.226SC..Hα-helixtrans-61.3-44.8177.7-68.5-22.8000111.7E511 E512 S513 L517 Y518 L519 K536E511-D515 PolarHBondContact O-N 3.23Å; E512-D515 PolarHBondContact O-N 3.03Å; S513-D515 VanDerWaalsContact C-N 3.35Å; D515-L517 VanDerWaalsContact C-N 3.33Å; D515-L517 PolarHBondContact O-N 2.79Å; D515-Y518 PolarHBondContact O-N 3.43Å; D515-L519 VanDerWaalsContact O-CB 3.26Å; D515-L519 WeakPolarHBondContact O-CB 3.5Å; D515-L519 PolarHBondContact O-N 3.38Å; D515-K536 WeakPolarHBondContact OD1-CD 3.39Å; D515-K536 WeakPolarHBondContact OD1-CE 3.37Å; D515-K536 IonicContact OD1-NZ 2.84Å; D515-K536 PolarHBondContact OD1-NZ 2.86Å; D515-K536 IonicContact OD2-NZ 2.65Å
516L93Very high93.8Very high5 Ų547.4 Ų47.43%0.02625%0.247CC..Hα-helixtrans-60.2-43.9175.1-176.861.4000111.7M447 V450 F451 L458 E512 S513 V514 Y518 L519 V520M447-L516 HydrophobicContact CE-CD1 4.12Å; V450-L516 HydrophobicContact CG1-CD1 3.77Å; V450-L516 HydrophobicContact CG1-CD2 4.03Å; V450-L516 HydrophobicContact CG1-CG 4.33Å; F451-L516 HydrophobicContact CD1-CD2 4.07Å; F451-L516 HydrophobicContact CD2-CD1 3.99Å; F451-L516 HydrophobicContact CD2-CD2 4.08Å; F451-L516 HydrophobicContact CD2-CG 4.44Å; F451-L516 HydrophobicContact CE1-CD2 4.12Å; F451-L516 HydrophobicContact CE2-CD1 3.71Å; F451-L516 HydrophobicContact CE2-CD2 4.12Å; F451-L516 HydrophobicContact CE2-CG 4.08Å; F451-L516 HydrophobicContact CG-CD2 4.06Å; F451-L516 HydrophobicContact CZ-CD1 4.3Å; F451-L516 HydrophobicContact CZ-CD2 4.16Å; F451-L516 HydrophobicContact CZ-CG 4.19Å; L458-L516 HydrophobicContact CD1-CB 4.4Å; L458-L516 HydrophobicContact CD1-CD2 3.8Å; L458-L516 HydrophobicContact CD1-CG 4.38Å; E512-L516 PolarHBondContact O-N 2.84Å; S513-L516 PolarHBondContact O-N 3.22Å; V514-L516 PolarHBondContact O-N 3.44Å; L516-Y518 PolarHBondContact O-N 3.14Å; L516-L519 PolarHBondContact O-N 2.88Å; L516-V520 HydrophobicContact CD1-CG2 3.93Å; L516-V520 HydrophobicContact CG-CG2 4.34Å; L516-V520 WeakPolarHBondContact O-CG2 3.25Å; L516-V520 PolarHBondContact O-N 3.37Å
517L94.5Very high93.4Very high1 Ų148.6 Ų48.61%0.00525%0.252CS..Hα-helixtrans-58.7-46.9178.6178.165.1000111.3F396 T397 L458 I462 L498 I501 V505 S513 V514 D515 N521F396-L517 HydrophobicContact CB-CD1 4.16Å; T397-L517 HydrophobicContact CG2-CD1 3.94Å; L458-L517 HydrophobicContact CD2-CB 4.3Å; I462-L517 HydrophobicContact CD1-CD1 4.25Å; L498-L517 HydrophobicContact CD2-CD1 3.88Å; L498-L517 HydrophobicContact CD2-CD2 4.03Å; L498-L517 HydrophobicContact CD2-CG 3.81Å; I501-L517 HydrophobicContact CG2-CD2 4.31Å; V505-L517 HydrophobicContact CG2-CD2 4.48Å; S513-L517 WeakPolarHBondContact O-CB 3.36Å; S513-L517 PolarHBondContact O-N 3.16Å; V514-L517 WeakPolarHBondContact O-CB 3.33Å; V514-L517 PolarHBondContact O-N 2.74Å; D515-L517 VanDerWaalsContact C-N 3.33Å; D515-L517 PolarHBondContact O-N 2.79Å; L517-N521 PolarHBondContact O-N 3.38Å; L517-N521 PolarHBondContact O-ND2 3.49Å
518Y95.7Very high93.1Very high12 Ų1242 Ų425%0.04722%0.22CC..Hα-helixtrans-69.9-40177.7-88-89.8000113L498 S499 S502 V514 D515 L516 V520 N521 S522 L534 E535 K536 P537L498-Y518 HydrophobicContact CB-CE1 4.19Å; L498-Y518 HydrophobicContact CB-CE2 4.35Å; L498-Y518 HydrophobicContact CD1-CD1 4.36Å; L498-Y518 HydrophobicContact CD1-CE1 4.15Å; S499-Y518 PolarHBondContact N-OH 3.17Å; S502-Y518 VanDerWaalsContact OG-CE2 3.27Å; S502-Y518 WeakPolarHBondContact OG-CE2 3.47Å; V514-Y518 HydrophobicContact CG1-CD2 3.95Å; V514-Y518 HydrophobicContact CG1-CE2 4.06Å; V514-Y518 WeakPolarHBondContact O-CD2 3.19Å; V514-Y518 PolarHBondContact O-N 3.33Å; D515-Y518 PolarHBondContact O-N 3.43Å; L516-Y518 PolarHBondContact O-N 3.14Å; Y518-V520 VanDerWaalsContact C-N 3.35Å; Y518-V520 PolarHBondContact O-N 3.2Å; Y518-N521 PolarHBondContact O-N 3.38Å; Y518-S522 WeakPolarHBondContact O-CB 3.02Å; Y518-S522 PolarHBondContact O-N 3.42Å; Y518-S522 PolarHBondContact O-OG 2.87Å; Y518-L534 HydrophobicContact CD1-CB 4.09Å; Y518-L534 HydrophobicContact CE1-CB 4.32Å; Y518-E535 WeakPolarHBondContact CE1-O 3.18Å; Y518-K536 HydrophobicContact CD1-CB 4.28Å; Y518-K536 HydrophobicContact CD2-CB 4.2Å; Y518-K536 HydrophobicContact CD2-CG 4.25Å; Y518-K536 HydrophobicContact CE1-CB 4.42Å; Y518-K536 HydrophobicContact CE2-CB 4.33Å; Y518-K536 HydrophobicContact CE2-CG 4.3Å; Y518-K536 HydrophobicContact CG-CB 4.19Å; Y518-P537 WeakPolarHBondContact OH-CD 3.03Å
519L94.1Very high92.7Very high82 Ų8236.5 Ų36.543%0.42920%0.201SC..Hα-helixtrans-57.4-50.1178.9175.160.9000110.8M447 D515 L516 S522 L523M447-L519 HydrophobicContact CE-CD2 4.05Å; M447-L519 HydrophobicContact SD-CD2 4.07Å; D515-L519 VanDerWaalsContact O-CB 3.26Å; D515-L519 WeakPolarHBondContact O-CB 3.5Å; D515-L519 PolarHBondContact O-N 3.38Å; L516-L519 PolarHBondContact O-N 2.88Å; L519-S522 PolarHBondContact O-N 2.96Å; L519-L523 HydrophobicContact CD1-CD1 4.26Å; L519-L523 HydrophobicContact CD1-CG 4.47Å; L519-L523 HydrophobicContact CG-CD1 4.16Å; L519-L523 VanDerWaalsContact O-CG 3.3Å; L519-L523 WeakPolarHBondContact O-CG 3.01Å; L519-L523 PolarHBondContact O-N 3.08Å
520V93.5Very high92.1Very high0 Ų039 Ų390%022%0.223CC..Hα-helixtrans-66.2-43.4-176.11760000111.5F398 T437 L441 M447 F451 L516 Y518 S522 L523 F524F398-V520 HydrophobicContact CD2-CG1 3.36Å; F398-V520 HydrophobicContact CE2-CG1 3.85Å; F398-V520 HydrophobicContact CG-CG1 4.28Å; T437-V520 HydrophobicContact CG2-CG1 4.2Å; L441-V520 HydrophobicContact CD1-CG1 4.04Å; L441-V520 HydrophobicContact CD2-CG2 4.2Å; M447-V520 HydrophobicContact CE-CG2 4.05Å; F451-V520 HydrophobicContact CE2-CG2 3.46Å; F451-V520 VanDerWaalsContact CE2-CG2 3.46Å; F451-V520 HydrophobicContact CZ-CG1 4.41Å; F451-V520 HydrophobicContact CZ-CG2 3.56Å; L516-V520 HydrophobicContact CD1-CG2 3.93Å; L516-V520 HydrophobicContact CG-CG2 4.34Å; L516-V520 WeakPolarHBondContact O-CG2 3.25Å; L516-V520 PolarHBondContact O-N 3.37Å; Y518-V520 VanDerWaalsContact C-N 3.35Å; Y518-V520 PolarHBondContact O-N 3.2Å; V520-S522 VanDerWaalsContact C-N 3.32Å; V520-S522 PolarHBondContact O-N 3.33Å; V520-L523 WeakPolarHBondContact O-CB 3.45Å; V520-L523 PolarHBondContact O-N 3.04Å; V520-F524 PolarHBondContact O-N 3.4Å; V520-F524 VanDerWaalsContact O-N 3.11Å
521N94.8Very high91.8Very high0 Ų044 Ų440%024%0.243CC..Hα-helixtrans-70.6-30.7177.2-76.7-83.1000112.3F396 L494 L498 L517 Y518 F524 M525 L534F396-N521 PolarHBondContact O-ND2 3.12Å; F396-N521 PolarHBondContact O-OD1 3.13Å; L494-N521 HydrophobicContact CD2-CB 4.29Å; L498-N521 HydrophobicContact CD1-CB 3.71Å; L517-N521 PolarHBondContact O-N 3.38Å; L517-N521 PolarHBondContact O-ND2 3.49Å; Y518-N521 PolarHBondContact O-N 3.38Å; N521-F524 PolarHBondContact O-N 3.1Å; N521-M525 WeakPolarHBondContact O-CB 3.35Å; N521-M525 WeakPolarHBondContact O-CG 3.42Å; N521-M525 PolarHBondContact O-N 2.87Å; N521-L534 VanDerWaalsContact C-CD1 3.49Å; N521-L534 HydrophobicContact CB-CD1 3.61Å
522S94.8Very high91.6Very high43 Ų4339.1 Ų39.130%0.30122%0.221SC..Hα-helixtrans-69.1-38.3174.2-60.70000111.3Y518 L519 V520 F524 M525 A526Y518-S522 WeakPolarHBondContact O-CB 3.02Å; Y518-S522 PolarHBondContact O-N 3.42Å; Y518-S522 PolarHBondContact O-OG 2.87Å; L519-S522 PolarHBondContact O-N 2.96Å; V520-S522 VanDerWaalsContact C-N 3.32Å; V520-S522 PolarHBondContact O-N 3.33Å; S522-F524 VanDerWaalsContact C-N 3.34Å; S522-M525 PolarHBondContact O-N 3.36Å; S522-A526 VanDerWaalsContact O-CB 3.25Å; S522-A526 WeakPolarHBondContact O-CB 3.35Å; S522-A526 PolarHBondContact O-N 3.36Å
523L92.3Very high91.5Very high55 Ų5537.5 Ų37.529%0.28822%0.216SC..Hα-helixtrans-60.5-44.2172.9-73.4161.8000111.5L440 M447 L519 V520L440-L523 HydrophobicContact CD2-CD1 3.54Å; L440-L523 HydrophobicContact CD2-CD2 3.7Å; L440-L523 HydrophobicContact CD2-CG 4.18Å; M447-L523 HydrophobicContact CE-CD1 4.44Å; L519-L523 HydrophobicContact CD1-CD1 4.26Å; L519-L523 HydrophobicContact CD1-CG 4.47Å; L519-L523 HydrophobicContact CG-CD1 4.16Å; L519-L523 VanDerWaalsContact O-CG 3.3Å; L519-L523 WeakPolarHBondContact O-CG 3.01Å; L519-L523 PolarHBondContact O-N 3.08Å; V520-L523 WeakPolarHBondContact O-CB 3.45Å; V520-L523 PolarHBondContact O-N 3.04Å
524F93.6Very high91.5Very high1 Ų138 Ų380%0.00422%0.219CC..Hα-helixtrans-63.5-51.6174.3177.8-94.8000111.9F398 Y430 A433 F434 T437 W480 V520 N521 S522 A526 Q527 Y528F398-F524 HydrophobicContact CE1-CB 4.45Å; F398-F524 AromaticContact CE1-CD2 3.58Å; F398-F524 HydrophobicContact CE1-CD2 3.58Å; F398-F524 HydrophobicContact CE1-CE2 4.07Å; F398-F524 HydrophobicContact CE1-CG 4.17Å; F398-F524 HydrophobicContact CE2-CB 4.13Å; F398-F524 HydrophobicContact CE2-CG 4.44Å; F398-F524 HydrophobicContact CZ-CB 3.58Å; F398-F524 HydrophobicContact CZ-CD1 4.29Å; F398-F524 AromaticContact CZ-CD2 3.4Å; F398-F524 HydrophobicContact CZ-CD2 3.4Å; F398-F524 VanDerWaalsContact CZ-CD2 3.4Å; F398-F524 HydrophobicContact CZ-CE2 4.12Å; F398-F524 AromaticContact CZ-CG 3.5Å; F398-F524 HydrophobicContact CZ-CG 3.5Å; F398-F524 VanDerWaalsContact CZ-CG 3.5Å; Y430-F524 HydrophobicContact CD2-CE2 4.38Å; Y430-F524 AromaticContact CD2-CZ 3.8Å; Y430-F524 HydrophobicContact CD2-CZ 3.8Å; Y430-F524 HydrophobicContact CE2-CE2 4.28Å; Y430-F524 AromaticContact CE2-CZ 3.88Å; Y430-F524 HydrophobicContact CE2-CZ 3.88Å; A433-F524 HydrophobicContact CB-CD2 3.76Å; A433-F524 HydrophobicContact CB-CE2 3.59Å; A433-F524 HydrophobicContact CB-CG 4.35Å; A433-F524 HydrophobicContact CB-CZ 4.03Å; F434-F524 HydrophobicContact CB-CE2 4.09Å; T437-F524 HydrophobicContact CG2-CB 4.35Å; T437-F524 VanDerWaalsContact OG1-CA 3.23Å; T437-F524 WeakPolarHBondContact OG1-CA 3.04Å; T437-F524 PolarHBondContact OG1-N 3.25Å; W480-F524 HydrophobicContact CH2-CD1 4.44Å; W480-F524 HydrophobicContact CH2-CE1 4.23Å; W480-F524 HydrophobicContact CH2-CZ 4.26Å; W480-F524 HydrophobicContact CZ3-CD2 4.43Å; W480-F524 HydrophobicContact CZ3-CE1 4.23Å; W480-F524 AromaticContact CZ3-CE2 3.9Å; W480-F524 HydrophobicContact CZ3-CE2 3.9Å; W480-F524 AromaticContact CZ3-CZ 3.79Å; W480-F524 HydrophobicContact CZ3-CZ 3.79Å; V520-F524 PolarHBondContact O-N 3.4Å; V520-F524 VanDerWaalsContact O-N 3.11Å; N521-F524 PolarHBondContact O-N 3.1Å; S522-F524 VanDerWaalsContact C-N 3.34Å; F524-A526 VanDerWaalsContact C-N 3.32Å; F524-A526 PolarHBondContact O-N 3.21Å; F524-Q527 PolarHBondContact O-N 3.23Å; F524-Y528 HydrophobicContact CE1-CD2 4.03Å; F524-Y528 HydrophobicContact CE1-CG 4.17Å; F524-Y528 AromaticContact CZ-CD2 3.96Å; F524-Y528 HydrophobicContact CZ-CD2 3.96Å; F524-Y528 PolarHBondContact O-N 3.07Å
525M92.4Very high91.4Very high1 Ų145.3 Ų45.31%0.00525%0.253CS..Hα-helixtrans-64.7-34.5-177.4-74.1-50.7-61.900112.7A490 C491 L494 N521 S522 Q527 Y528 D529 C532 L534A490-M525 HydrophobicContact CB-CE 4.49Å; C491-M525 HydrophobicContact CB-CE 4.1Å; L494-M525 HydrophobicContact CD2-CG 3.53Å; L494-M525 HydrophobicContact CD2-SD 3.68Å; N521-M525 WeakPolarHBondContact O-CB 3.35Å; N521-M525 WeakPolarHBondContact O-CG 3.42Å; N521-M525 PolarHBondContact O-N 2.87Å; S522-M525 PolarHBondContact O-N 3.36Å; M525-Q527 PolarHBondContact O-N 3.14Å; M525-Q527 VanDerWaalsContact O-N 3.14Å; M525-Y528 HydrophobicContact CE-CD1 3.83Å; M525-Y528 HydrophobicContact CE-CG 4.45Å; M525-Y528 PolarHBondContact O-N 3Å; M525-Y528 VanDerWaalsContact O-N 3.11Å; M525-Y528 HydrophobicContact SD-CD1 4.31Å; M525-Y528 HydrophobicContact SD-CG 4.43Å; M525-D529 HydrophobicContact CE-CB 4.1Å; M525-D529 CarbonylContact O-C 3.57Å; M525-D529 PolarHBondContact O-N 2.9Å; M525-C532 HydrophobicContact CB-CB 4.14Å; M525-C532 HydrophobicContact CE-CB 3.52Å; M525-C532 WeakPolarHBondContact CE-SG 3.28Å; M525-L534 HydrophobicContact CB-CD1 4.31Å; M525-L534 HydrophobicContact CG-CD1 3.83Å; M525-L534 HydrophobicContact CG-CD2 4.42Å; M525-L534 HydrophobicContact CG-CG 4.21Å
526A89Confident91.4Very high55 Ų5545.2 Ų45.246%0.45525%0.249SC..Hα-helixtrans-58.7-28.1174.300000113S522 F524S522-A526 VanDerWaalsContact O-CB 3.25Å; S522-A526 WeakPolarHBondContact O-CB 3.35Å; S522-A526 PolarHBondContact O-N 3.36Å; F524-A526 VanDerWaalsContact C-N 3.32Å; F524-A526 PolarHBondContact O-N 3.21Å
527Q87.1Confident91.2Very high77 Ų7746.6 Ų46.636%0.3626%0.258SS..Hα-helixtrans-90.9-29.6175.7-62-61.5-26.600113.2A433 E436 F524 M525A433-Q527 HydrophobicContact CB-CB 3.67Å; E436-Q527 HydrophobicContact CB-CG 4.11Å; E436-Q527 HydrophobicContact CG-CG 4.47Å; F524-Q527 PolarHBondContact O-N 3.23Å; M525-Q527 PolarHBondContact O-N 3.14Å; M525-Q527 VanDerWaalsContact O-N 3.14Å
528Y87.2Confident90.7Very high23 Ų2355.6 Ų55.69%0.0930%0.302CS..Hα-helixtrans-78.6-52.5-179.7-171.4-87.2000111.9P429 Y430 A433 M484 A490 F524 M525P429-Y528 HydrophobicContact CG-CD2 4.09Å; P429-Y528 HydrophobicContact CG-CE2 4.14Å; P429-Y528 HydrophobicContact CG-CG 4.29Å; P429-Y528 WeakPolarHBondContact CG-O 3.3Å; Y430-Y528 HydrophobicContact CD2-CE2 4.3Å; A433-Y528 HydrophobicContact CB-CD2 4.32Å; M484-Y528 WeakPolarHBondContact CB-OH 3.31Å; M484-Y528 WeakPolarHBondContact CG-OH 3.44Å; A490-Y528 HydrophobicContact CB-CD1 4.42Å; A490-Y528 HydrophobicContact CB-CE1 3.75Å; F524-Y528 HydrophobicContact CE1-CD2 4.03Å; F524-Y528 HydrophobicContact CE1-CG 4.17Å; F524-Y528 AromaticContact CZ-CD2 3.96Å; F524-Y528 HydrophobicContact CZ-CD2 3.96Å; F524-Y528 PolarHBondContact O-N 3.07Å; M525-Y528 HydrophobicContact CE-CD1 3.83Å; M525-Y528 HydrophobicContact CE-CG 4.45Å; M525-Y528 PolarHBondContact O-N 3Å; M525-Y528 VanDerWaalsContact O-N 3.11Å; M525-Y528 HydrophobicContact SD-CD1 4.31Å; M525-Y528 HydrophobicContact SD-CG 4.43Å
529D86.6Confident89.8Confident27 Ų2757.6 Ų57.614%0.14431%0.314CS..  trans-145.1101.7178.3179-0.4000109M525 N531 C532M525-D529 HydrophobicContact CE-CB 4.1Å; M525-D529 CarbonylContact O-C 3.57Å; M525-D529 PolarHBondContact O-N 2.9Å; D529-N531 PolarHBondContact O-N 3.37Å; D529-N531 WeakPolarHBondContact OD1-CB 3.39Å; D529-N531 PolarHBondContact OD1-N 3.03Å; D529-C532 HydrophobicContact CB-CB 4.1Å; D529-C532 VanDerWaalsContact O-CB 3.26Å; D529-C532 WeakPolarHBondContact O-CB 3.31Å; D529-C532 PolarHBondContact O-N 3.03Å
530A82.1Confident88.7Confident75 Ų7559.6 Ų59.662%0.6233%0.329SS*.THydrogen-bonded Turntrans-62.1-14.8-177.800000114.1
531N86.9Confident87.3Confident135 Ų13565.2 Ų65.272%0.72236%0.364SS*.THydrogen-bonded Turntrans-87.4-12.7174-61.5-48.1000112.6D529 I533D529-N531 PolarHBondContact O-N 3.37Å; D529-N531 WeakPolarHBondContact OD1-CB 3.39Å; D529-N531 PolarHBondContact OD1-N 3.03Å; N531-I533 PolarHBondContact O-N 3.43Å
532C89.8Confident85.5Confident12 Ų1271 Ų718%0.08140%0.4CS..  trans-76117.4176.3-177.20000111C491 M525 D529C491-C532 VanDerWaalsContact CA-SG 3.56Å; C491-C532 HydrophobicContact CB-CB 3.61Å; C491-C532 WeakPolarHBondContact CB-SG 3.48Å; C491-C532 WeakPolarHBondContact SG-CA 3.4Å; C491-C532 WeakPolarHBondContact SG-CB 3.41Å; C491-C532 CovalentContact SG-SG 2.03Å; C491-C532 PolarHBondContact SG-SG 3.49Å; M525-C532 HydrophobicContact CB-CB 4.14Å; M525-C532 HydrophobicContact CE-CB 3.52Å; M525-C532 WeakPolarHBondContact CE-SG 3.28Å; D529-C532 HydrophobicContact CB-CB 4.1Å; D529-C532 VanDerWaalsContact O-CB 3.26Å; D529-C532 WeakPolarHBondContact O-CB 3.31Å; D529-C532 PolarHBondContact O-N 3.03Å
533I91.2Very high83.4Confident109 Ų10976.9 Ų76.956%0.55942%0.424SS*.  trans-112.9119.4172.1-56.8176.1000106.9N531 E535N531-I533 PolarHBondContact O-N 3.43Å; I533-E535 HydrophobicContact CG2-CG 4.44Å
534L94Very high81.4Confident15 Ų1578.5 Ų78.58%0.07945%0.446CS..  trans-90.4109.4176.1-61.2176000109L494 L498 Y518 N521 M525L494-L534 HydrophobicContact CD2-CD1 4.04Å; L494-L534 HydrophobicContact CD2-CD2 4.43Å; L494-L534 HydrophobicContact CG-CD2 4.45Å; L498-L534 HydrophobicContact CD1-CD1 3.76Å; L498-L534 HydrophobicContact CD1-CD2 4.43Å; Y518-L534 HydrophobicContact CD1-CB 4.09Å; Y518-L534 HydrophobicContact CE1-CB 4.32Å; N521-L534 VanDerWaalsContact C-CD1 3.49Å; N521-L534 HydrophobicContact CB-CD1 3.61Å; M525-L534 HydrophobicContact CB-CD1 4.31Å; M525-L534 HydrophobicContact CG-CD1 3.83Å; M525-L534 HydrophobicContact CG-CD2 4.42Å; M525-L534 HydrophobicContact CG-CG 4.21Å
535E93.3Very high79.3Confident153 Ų15387.3 Ų87.372%0.71549%0.487SS*.PPolyproline II helixtrans-87.1126.1177.3-65.5-177.2174.500110.6Y518 I533Y518-E535 WeakPolarHBondContact CE1-O 3.18Å; I533-E535 HydrophobicContact CG2-CG 4.44Å
536K93Very high77.1Confident69 Ų6996 Ų9630%0.353%0.528SS..PPolyproline II helixtrans-68127170.1177.6-177.4168.7-172.60108.3E511 V514 D515 Y518 M538E511-K536 IonicContact OE1-NZ 3.67Å; E511-K536 PolarHBondContact OE1-NZ 3.39Å; V514-K536 HydrophobicContact CG1-CD 4.29Å; V514-K536 HydrophobicContact CG1-CG 4.26Å; D515-K536 WeakPolarHBondContact OD1-CD 3.39Å; D515-K536 WeakPolarHBondContact OD1-CE 3.37Å; D515-K536 IonicContact OD1-NZ 2.84Å; D515-K536 PolarHBondContact OD1-NZ 2.86Å; D515-K536 IonicContact OD2-NZ 2.65Å; Y518-K536 HydrophobicContact CD1-CB 4.28Å; Y518-K536 HydrophobicContact CD2-CB 4.2Å; Y518-K536 HydrophobicContact CD2-CG 4.25Å; Y518-K536 HydrophobicContact CE1-CB 4.42Å; Y518-K536 HydrophobicContact CE2-CB 4.33Å; Y518-K536 HydrophobicContact CE2-CG 4.3Å; Y518-K536 HydrophobicContact CG-CB 4.19Å; K536-M538 PolarHBondContact O-N 3.46Å
537P88.7Confident75.3Confident34 Ų3499.2 Ų99.222%0.22154%0.544CS..PPolyproline II helixtrans-61.3137175.223.9-32.5000109.3Y518 L539Y518-P537 WeakPolarHBondContact OH-CD 3.03Å; P537-L539 VanDerWaalsContact C-N 3.33Å; P537-L539 HydrophobicContact CG-CD2 4.36Å; P537-L539 HydrophobicContact CG-CG 4.37Å; P537-L539 PolarHBondContact O-N 2.85Å
538M85Confident73.3Confident189 Ų189101 Ų10193%0.93157%0.565SS**  trans-6896.7168.5-79.2-171.9160.200108.3K536 T540K536-M538 PolarHBondContact O-N 3.46Å; M538-T540 PolarHBondContact O-N 3.28Å; M538-T540 VanDerWaalsContact O-N 3.14Å
539L76.2Confident71.3Confident54 Ų54109.2 Ų109.228%0.28360%0.601SS.*  trans-79.198.2176.3-63.6163.7000107.1L506 V514 P537 T541L506-L539 HydrophobicContact CB-CD1 4.03Å; L506-L539 HydrophobicContact CD1-CD1 4.24Å; L506-L539 HydrophobicContact CD2-CB 3.78Å; L506-L539 HydrophobicContact CD2-CD1 3.67Å; L506-L539 HydrophobicContact CD2-CG 4.15Å; L506-L539 HydrophobicContact CG-CD1 4.18Å; V514-L539 HydrophobicContact CG1-CD1 4.43Å; P537-L539 VanDerWaalsContact C-N 3.33Å; P537-L539 HydrophobicContact CG-CD2 4.36Å; P537-L539 HydrophobicContact CG-CG 4.37Å; P537-L539 PolarHBondContact O-N 2.85Å; L539-T541 PolarHBondContact O-N 3.45Å
540T72.2Confident69.4Low124 Ų124114.4 Ų114.476%0.76163%0.634SS**  trans-62.4107.2168.3220000108M538 T542M538-T540 PolarHBondContact O-N 3.28Å; M538-T540 VanDerWaalsContact O-N 3.14Å; T540-T542 PolarHBondContact O-N 3.39Å; T540-T542 PolarHBondContact O-OG1 2.85Å
541T63.5Low67.4Low118 Ų118116.1 Ų116.172%0.72464%0.636SS**  trans-60.293.9165.7-37.90000106.4L539 M543L539-T541 PolarHBondContact O-N 3.45Å; T541-M543 PolarHBondContact O-N 2.04Å
542T55.8Low65.1Low123 Ų123118.3 Ų118.376%0.75564%0.642SS**  trans-67.892.6171.7-490000104.1T540 A544T540-T542 PolarHBondContact O-N 3.39Å; T540-T542 PolarHBondContact O-OG1 2.85Å; T542-A544 VanDerWaalsContact C-N 3.29Å; T542-A544 PolarHBondContact O-N 2.97Å
543M50.9Low62.6Low165 Ų165124.5 Ų124.581%0.81367%0.674SS**  trans-57.8104.5171.2-68.5-146.987.900105.1T541 E545T541-M543 PolarHBondContact O-N 2.04Å; M543-E545 PolarHBondContact O-N 2.93Å
544A51.6Low60.3Low90 Ų90126.9 Ų126.974%0.74469%0.686SS**  trans-54.4108.9169.900000105.9T542 E546T542-A544 VanDerWaalsContact C-N 3.29Å; T542-A544 PolarHBondContact O-N 2.97Å; A544-E546 PolarHBondContact O-N 2.93Å
545E48.9Very low57.6Low186 Ų186131.2 Ų131.287%0.86971%0.713SS**  trans-52.7107.9167-82.3-179.3140.400106.2M543 P547M543-E545 PolarHBondContact O-N 2.93Å; E545-P547 WeakPolarHBondContact O-CD 3.41Å; E545-P547 VanDerWaalsContact O-N 3.08Å
546E45.9Very low55Low183 Ų183132 Ų13286%0.85572%0.717SS**  trans-52.8115.6169-90.2-172.6136.600107.6A544 S548A544-E546 PolarHBondContact O-N 2.93Å; E546-S548 PolarHBondContact O-N 3.28Å
547P52.2Low52.2Low122 Ų122135 Ų13579%0.79274%0.736SS**  trans-67.3109175.125.3-29.5000107.8E545 K549E545-P547 WeakPolarHBondContact O-CD 3.41Å; E545-P547 VanDerWaalsContact O-N 3.08Å; P547-K549 PolarHBondContact O-N 2.95Å
548S44.1Very low49.5Very low116 Ų116138.3 Ų138.381%0.81176%0.756SS**  trans-51.5111.6176-150.60000109.9E546 V550E546-S548 PolarHBondContact O-N 3.28Å; S548-V550 PolarHBondContact O-N 2.98Å; S548-V550 VanDerWaalsContact O-N 3.11Å
549K45.1Very low47.1Very low194 Ų194135.7 Ų135.784%0.84375%0.751SS**  trans-67.399.8-175.2-162.9176.7-172.4176.80109.8P547 T551P547-K549 PolarHBondContact O-N 2.95Å; K549-T551 PolarHBondContact O-N 3.27Å
550V46.2Very low45Very low137 Ų137138.5 Ų138.583%0.8377%0.771SS**  trans-79.2108.9163.8176.10000107.8S548 E552S548-V550 PolarHBondContact O-N 2.98Å; S548-V550 VanDerWaalsContact O-N 3.11Å; V550-E552 PolarHBondContact O-N 3.08Å
551T40.3Very low43.4Very low110 Ų110142 Ų14268%0.67578%0.778SS**  trans-63.7112.5171.9-55.30000109.9K549 L553K549-T551 PolarHBondContact O-N 3.27Å; T551-L553 HydrophobicContact CG2-CD1 4.34Å
552E40Very low41.9Very low181 Ų181141.9 Ų141.985%0.84678%0.777SS**  trans-119.9114158-140.1171.9-161.800108.5V550V550-E552 PolarHBondContact O-N 3.08Å
553L37.6Very low40.8Very low142 Ų142143.3 Ų143.374%0.74378%0.78SS**  trans-84.2110.6-173.6-146.997.9000107.5T551T551-L553 HydrophobicContact CG2-CD1 4.34Å
554I41.9Very low39.9Very low159 Ų159139.9 Ų139.982%0.81577%0.773SS**  trans-120.5110.2162.2-59.2-179.9000107.1
555T36.6Very low39Very low106 Ų106141.3 Ų141.365%0.6577%0.772SS**  trans-89.3162170-51.30000108.8
556E39Very low38.4Very low171 Ų171138.7 Ų138.780%0.79977%0.769SS**  trans85.4136.2175.2-73.2-175.2150.200116.3
557D34.9Very low38Very low130 Ų130137.2 Ų137.270%0.69577%0.767SS**  cis-168.4145.5-17.4-146.7-18.8000105.6
558T30.9Very low37.4Very low105 Ų105137.1 Ų137.164%0.64476%0.764SS**  trans41.5122.3145.9-580000120.1
559T34.9Very low36.9Very low133 Ų133136.8 Ų136.882%0.81676%0.762SS**  -169.9123.9109.4-58.40000111
560T33Very low36.4Very low114 Ų114133.3 Ų133.370%0.69976%0.757SS**  trans-69.8126.2171.8-36.10000111
561E37.4Very low35.7Very low196 Ų196132.8 Ų132.892%0.91675%0.754SS**  trans-131.3113.7150.9-87.1-167.4163.300109.3
562T32.2Very low35.4Very low116 Ų116133.6 Ų133.671%0.71276%0.759SS**  trans-86129.3170.6-41.90000106.8
563D32.9Very low35Very low153 Ų153131.2 Ų131.282%0.81876%0.757SS**  trans-165125.8139.5-104.8-21.5000115.4
564S33.3Very low34.9Very low93 Ų93128.9 Ų128.965%0.6576%0.758SS**  trans50.810214471.20000122.7
565V32.4Very low34.5Very low121 Ų121130.2 Ų130.273%0.73376%0.761SS**  38.3120112.3-174.80000118.8
566T36.4Very low34.3Very low131 Ų131132.8 Ų132.880%0.80477%0.769SS**  trans-14995.6137.9-48.50000109.4
567D36.2Very low34Very low152 Ų152133.2 Ų133.281%0.81377%0.771SS**  trans-71.4126.4168.5-80.6-44.8000110.1
568T39.1Very low33.9Very low119 Ų119133 Ų13373%0.7378%0.775SS**  trans-122.191.7166.8-58.20000108.2V570T568-V570 HydrophobicContact CG2-CG2 4.27Å
569S34.7Very low34.1Very low110 Ų110134.5 Ų134.577%0.76978%0.784SS**  trans-84.8109.9169.956.70000109.3
570V34.2Very low34Very low121 Ų121136.2 Ų136.273%0.73378%0.783SS**  trans-84.1112.2174.6176.20000108.9T568 V572T568-V570 HydrophobicContact CG2-CG2 4.27Å; V570-V572 PolarHBondContact O-N 3.14Å
571T30.8Very low34.3Very low125 Ų125136.8 Ų136.877%0.76779%0.789SS**  trans-77.4111.7174-41.90000109.2
572V34.3Very low34.6Very low128 Ų128133.4 Ų133.478%0.77678%0.781SS**  trans-88.9106.4172.8178.30000108.4V570 A574V570-V572 PolarHBondContact O-N 3.14Å; V572-A574 PolarHBondContact O-N 2.97Å
573T33Very low34.9Very low131 Ų131136.3 Ų136.380%0.80479%0.787SS**  trans-74.9111.4170.9-0.40000109
574A35.3Very low35.3Very low93 Ų93140.7 Ų140.777%0.76979%0.792SS**  trans-87.7100.8170.700000109.2V572 L576V572-A574 PolarHBondContact O-N 2.97Å; A574-L576 PolarHBondContact O-N 2.98Å
575E33.6Very low35.7Very low187 Ų187142.6 Ų142.687%0.87480%0.8SS**  trans-79.9108.9165.6-103.3173.1151.700108.6E577E575-E577 PolarHBondContact O-N 3.29Å
576L31.1Very low36.3Very low160 Ų160145.8 Ų145.884%0.83881%0.807SS**  trans-90.687.4178.1-162.284.3000108.1A574 T578A574-L576 PolarHBondContact O-N 2.98Å; L576-T578 PolarHBondContact O-N 3.19Å
577E34Very low36.4Very low180 Ų180148.5 Ų148.584%0.84181%0.81SS**  trans-75.5118.5171.1-78.8-165.6151.100110.2E575E575-E577 PolarHBondContact O-N 3.29Å
578T32.9Very low36.8Very low126 Ų126146.9 Ų146.977%0.77381%0.808SS**  trans-86.6108.2-179.7-54.10000107.8L576L576-T578 PolarHBondContact O-N 3.19Å
579T34.2Very low37Very low135 Ų135150 Ų15083%0.82882%0.815SS**PPolyproline II helixtrans-95.6117.6174.1-32.10000109.4
580E33.7Very low37.3Very low170 Ų170154.8 Ų154.879%0.79482%0.817SS**PPolyproline II helixtrans-64150.4179.6-77.8-178.2147.600113T582E580-T582 PolarHBondContact O-N 3.46Å
581P38.9Very low37.3Very low126 Ų126154.7 Ų154.782%0.81882%0.817SS**PPolyproline II helixtrans-78.8123.3-16931.3-32000111.4E583P581-E583 PolarHBondContact O-N 3.13Å
582T43.6Very low37.8Very low125 Ų125156.8 Ų156.877%0.76782%0.818SS**PPolyproline II helixtrans-71120.3171.9-55.70000109.9E580 W584E580-T582 PolarHBondContact O-N 3.46Å; T582-W584 PolarHBondContact O-N 3.21Å
583E37.4Very low37.9Very low176 Ų176156.6 Ų156.682%0.82282%0.818SS**PPolyproline II helixtrans-59.3118.7175.7-170.1173-178.600110.7P581 T585P581-E583 PolarHBondContact O-N 3.13Å; E583-T585 PolarHBondContact O-N 3.45Å
584W43.1Very low38Very low245 Ų245158.8 Ų158.893%0.92882%0.819SS**  trans-71115.2177.1-74.674.3000109.3T582 E586T582-W584 PolarHBondContact O-N 3.21Å; W584-E586 PolarHBondContact O-N 2.83Å
585T40.9Very low37.8Very low134 Ų134160.7 Ų160.782%0.82282%0.821SS**  trans-79.2115.4170.7-58.90000108.2E583 E587E583-T585 PolarHBondContact O-N 3.45Å; T585-E587 PolarHBondContact O-N 3.33Å
586E44Very low37.7Very low188 Ų188157.5 Ų157.588%0.87982%0.815SS**PPolyproline II helixtrans-61.7119.4173.7-70.1177.1155.500110.3W584W584-E586 PolarHBondContact O-N 2.83Å
587E38.7Very low37.7Very low187 Ų187154.2 Ų154.287%0.87481%0.805SS**PPolyproline II helixtrans-79139.5169.8-111.9-175.7153.800110.1T585T585-E587 PolarHBondContact O-N 3.33Å
588P45.2Very low37.7Very low119 Ų119153.3 Ų153.377%0.77380%0.801SS**PPolyproline II helixtrans-77.7136.5-164.929.8-34000113.6Y590P588-Y590 PolarHBondContact O-N 3.5Å
589E43Very low37.7Very low184 Ų184156.9 Ų156.986%0.8680%0.802SS**  trans-47.9114.9169.9-169.3173.2-177.100112.2T591E589-T591 PolarHBondContact O-N 2.72Å
590Y41.3Very low37.6Very low210 Ų210157.9 Ų157.982%0.82480%0.797SS**  trans-72.8106.6178.5-171-92.9000109.8P588 E592P588-Y590 PolarHBondContact O-N 3.5Å; Y590-E592 HydrophobicContact CD1-CG 4.44Å; Y590-E592 HydrophobicContact CE1-CG 4.37Å; Y590-E592 PolarHBondContact O-N 3.21Å
591T33.5Very low37.5Very low119 Ų119156.5 Ų156.573%0.7379%0.794SS**  trans-79.4108.5173.2-35.60000109.5E589 T593E589-T591 PolarHBondContact O-N 2.72Å; T591-T593 PolarHBondContact O-N 3.21Å
592E42.2Very low37.3Very low169 Ų169157.5 Ų157.579%0.7979%0.792SS**  trans-57.9118.5170.7-88.8-178.3148.200110.3Y590 E594Y590-E592 HydrophobicContact CD1-CG 4.44Å; Y590-E592 HydrophobicContact CE1-CG 4.37Å; Y590-E592 PolarHBondContact O-N 3.21Å; E592-E594 PolarHBondContact O-N 3.16Å
593T35.7Very low37Very low125 Ų125159 Ų15977%0.76779%0.792SS**  trans-87.496.4173.9-44.90000108.2T591 T595T591-T593 PolarHBondContact O-N 3.21Å; T593-T595 PolarHBondContact O-N 3.18Å; T593-T595 PolarHBondContact O-OG1 3.25Å
594E35.4Very low36.6Very low176 Ų176155.9 Ų155.982%0.82279%0.789SS**  trans-57.3108.4169.3-76.3-172.6150.500109.5E592 T596E592-E594 PolarHBondContact O-N 3.16Å; E594-T596 PolarHBondContact O-N 3.35Å
595T31.5Very low36Very low133 Ų133150.2 Ų150.282%0.81678%0.782SS**  trans-90.288.1173.4-20.10000107.9T593 S597T593-T595 PolarHBondContact O-N 3.18Å; T593-T595 PolarHBondContact O-OG1 3.25Å; T595-S597 PolarHBondContact O-N 3.2Å
596T31.2Very low35.9Very low121 Ų121149.1 Ų149.174%0.74278%0.777SS**  trans-67.693.3173.8-44.10000109.4E594 E598E594-T596 PolarHBondContact O-N 3.35Å; T596-E598 PolarHBondContact O-N 3.03Å
597S32Very low35.1Very low91 Ų91146.1 Ų146.164%0.63677%0.771SS**  trans-89.699169.1-178.20000108.9T595 Y599T595-S597 PolarHBondContact O-N 3.2Å; S597-Y599 PolarHBondContact O-N 3.03Å; S597-Y599 VanDerWaalsContact O-N 3.16Å
598E32.8Very low34.6Very low160 Ų160144.4 Ų144.475%0.74877%0.768SS**  trans-60.7106.3165.7-77.1-179.3128.900109.9T596T596-E598 PolarHBondContact O-N 3.03Å
599Y33.6Very low33.7Very low202 Ų202145.4 Ų145.479%0.79277%0.766SS**  trans-106.391.2156.5-100.8-89000108.7S597 L601S597-Y599 PolarHBondContact O-N 3.03Å; S597-Y599 VanDerWaalsContact O-N 3.16Å; Y599-L601 PolarHBondContact O-N 3.31Å
600Q31.9Very low33Very low156 Ų156143.1 Ų143.173%0.72976%0.759SS**  trans-69.3107.5161.9-68.2-172.7-5.900108.3
601L32.6Very low32.3Very low141 Ų141139.7 Ų139.774%0.73875%0.753SS**  trans-115.7100163.1-141.389.9000109.3Y599 M603Y599-L601 PolarHBondContact O-N 3.31Å; L601-M603 HydrophobicContact CD2-CG 4.41Å; L601-M603 PolarHBondContact O-N 3.44Å
602L33.2Very low32.1Very low147 Ų147139.1 Ų139.177%0.7775%0.75SS**  trans-55.7116.4163-99.282.7000109.2
603M37.3Very low31.3Very low156 Ų156137.8 Ų137.877%0.76875%0.748SS**  trans-130.395.8156.6-72.1-67.5-84.800108.2L601L601-M603 HydrophobicContact CD2-CG 4.41Å; L601-M603 PolarHBondContact O-N 3.44Å
604S29.9Very low31Very low110 Ų110138.7 Ų138.777%0.76975%0.746SS**  trans-78.3125.1165.444.50000109.3
605V30.6Very low30.6Very low127 Ų127136.3 Ų136.377%0.7774%0.744SS**  trans-139.7134.3165.8-177.60000108.3
606P37.7Very low30.6Very low110 Ų110135.1 Ų135.171%0.71474%0.742SS**  trans-90.1153.4-155.835.3-34000114L608P606-L608 PolarHBondContact O-N 2.83Å
607T27.1Very low30.4Very low125 Ų125137.2 Ų137.277%0.76775%0.747SS**  trans-27.8116.3160.7-35.70000114.1L609T607-L609 HydrophobicContact CG2-CD1 4.06Å
608L28.6Very low30.6Very low152 Ų152138.2 Ų138.280%0.79675%0.752SS**  trans-113.6101.5157.4-138.586.8000108.3P606 L610P606-L608 PolarHBondContact O-N 2.83Å; L608-L610 HydrophobicContact CD2-CD1 4.02Å; L608-L610 PolarHBondContact O-N 3.11Å
609L27.8Very low30.4Very low140 Ų140140.5 Ų140.573%0.73376%0.755SS**  trans-60.9112.5162.4-97.899000108.1T607 I611T607-L609 HydrophobicContact CG2-CD1 4.06Å; L609-I611 HydrophobicContact CD2-CG1 4.38Å
610L27.7Very low30.2Very low136 Ų136140.2 Ų140.271%0.71276%0.758SS**  trans-100.1105.2156.7-112.8100000109L608 T612L608-L610 HydrophobicContact CD2-CD1 4.02Å; L608-L610 PolarHBondContact O-N 3.11Å; L610-T612 HydrophobicContact CD2-CG2 4.13Å; L610-T612 PolarHBondContact O-N 2.81Å
611I25.4Very low30.3Very low137 Ų137137.7 Ų137.770%0.70376%0.758SS**  trans-77.6107.2163.5-62.1168.5000106.1L609L609-I611 HydrophobicContact CD2-CG1 4.38Å
612T29.7Very low30.2Very low108 Ų108137.8 Ų137.866%0.66376%0.759SS**  trans-115.590.8164.143.80000109.3L610 I614L610-T612 HydrophobicContact CD2-CG2 4.13Å; L610-T612 PolarHBondContact O-N 2.81Å; T612-I614 PolarHBondContact O-N 3.13Å
613N25.5Very low30Very low141 Ų141138.1 Ų138.175%0.75476%0.761SS**  trans-60.5109.5157-111.4-23.2000108.3
614I29.4Very low29.5Very low143 Ų143135.2 Ų135.273%0.73376%0.755SS**  trans-129.294.2158.5-58.7-179.3000107.4T612 S616T612-I614 PolarHBondContact O-N 3.13Å; I614-S616 PolarHBondContact O-N 2.74Å
615T26.8Very low29.3Very low127 Ų127138.7 Ų138.778%0.77976%0.757SS**  trans-67.3110.5159.244.20000108.9
616S31.4Very low29.2Very low108 Ų108142.8 Ų142.876%0.75576%0.759SS**  trans-126.9130.4162.260.30000110.7I614I614-S616 PolarHBondContact O-N 2.74Å
617L28Very low28.8Very low164 Ų164144.4 Ų144.486%0.85976%0.76SS**PPolyproline II helixtrans-63.8171.2-171.5-96.5101.5000115.2
618P36.5Very low29Very low113 Ų113145 Ų14573%0.73476%0.757SS**PPolyproline II helixtrans-87.2132.4-149.733.6-32.5000114
619Y27.6Very low29.1Very low207 Ų207144 Ų14481%0.81275%0.752SS**PPolyproline II helixtrans-75.9123.3166.7-145.3-102.8000109.5
620K29.9Very low29.1Very low196 Ų196146.4 Ų146.485%0.85276%0.757SS**  trans-115.5120.8176-123-176.8-175.4-178.90111
621S33.1Very low29.1Very low104 Ų104145.5 Ų145.573%0.72776%0.76SS**  trans6686.5154.162.30000119.4
622N30.6Very low29.3Very low143 Ų143149 Ų14977%0.76577%0.77SS**  trans-71.1119.5144.3-88.6-28.5000109.6S624N622-S624 PolarHBondContact O-N 2.99Å
623L29Very low29.4Very low154 Ų154149.9 Ų149.981%0.80678%0.776SS**  trans-84.181.6173.3-157.988.3000108.6F625L623-F625 HydrophobicContact CD2-CE2 4.44Å
624S26.5Very low29.7Very low94 Ų94152.2 Ų152.266%0.65778%0.779SS**  trans-86.9110.1175.8-168.40000109.8N622 R626N622-S624 PolarHBondContact O-N 2.99Å; S624-R626 VanDerWaalsContact C-N 3.35Å; S624-R626 PolarHBondContact O-N 3.3Å
625F27Very low29.8Very low184 Ų184153.3 Ų153.381%0.80779%0.786SS**  trans-64.590.4169-101.3-97.5000109.2L623 I627L623-F625 HydrophobicContact CD2-CE2 4.44Å; F625-I627 PolarHBondContact O-N 3.37Å
626R28.3Very low30.3Very low213 Ų213152.8 Ų152.880%0.80478%0.782SS**  trans-8297.5167.8-76.3-172.9177.3-169.2-1109.1S624 L628S624-R626 VanDerWaalsContact C-N 3.35Å; S624-R626 PolarHBondContact O-N 3.3Å; R626-L628 VanDerWaalsContact C-N 3.33Å; R626-L628 PolarHBondContact O-N 3.16Å
627I29.7Very low30.4Very low143 Ų143151.4 Ų151.473%0.73379%0.785SS**  trans-65.797.5162.8-61.3174.5000106.8F625 L629F625-I627 PolarHBondContact O-N 3.37Å; I627-L629 HydrophobicContact CG2-CD1 3.95Å; I627-L629 PolarHBondContact O-N 3.23Å; I627-L629 VanDerWaalsContact O-N 3.08Å
628L30.1Very low30.8Very low137 Ų137151.2 Ų151.272%0.71778%0.784SS**  trans-77.885.6178.7-116.1139.2000108.9R626 K630R626-L628 VanDerWaalsContact C-N 3.33Å; R626-L628 PolarHBondContact O-N 3.16Å; L628-K630 PolarHBondContact O-N 3.48Å; L628-K630 VanDerWaalsContact O-N 3.14Å
629L30.4Very low30.9Very low133 Ų133150.1 Ų150.170%0.69678%0.784SS**  trans-67.7105.2165.8-89.4112.9000109.1I627 C631I627-L629 HydrophobicContact CG2-CD1 3.95Å; I627-L629 PolarHBondContact O-N 3.23Å; I627-L629 VanDerWaalsContact O-N 3.08Å; L629-C631 PolarHBondContact O-N 3.27Å
630K29Very low31.5Very low190 Ų190146 Ų14683%0.82679%0.785SS**  trans-81.693.7172.4-81.8-179174.5174.50109.9L628L628-K630 PolarHBondContact O-N 3.48Å; L628-K630 VanDerWaalsContact O-N 3.14Å
631C27Very low31.9Very low116 Ų116140 Ų14078%0.78478%0.78SS**  trans-71124.5165.9-79.20000110.4L629L629-C631 PolarHBondContact O-N 3.27Å
632K29.8Very low32.1Very low210 Ų210144 Ų14491%0.91379%0.786SS**  trans-115.398.9171.9-149.5176.8-172.4179.90108.7
633V31.1Very low32.3Very low128 Ų128145.4 Ų145.478%0.77679%0.793SS**  trans-75.7122.7177.7-178.50000108.7
634K31.7Very low32.6Very low189 Ų189144.8 Ų144.882%0.82279%0.789SS**  trans-116.4105.3175.1-153-179.7-174.4-1740108.8V636K634-V636 PolarHBondContact O-N 3.28Å
635L31.5Very low33Very low167 Ų167145.5 Ų145.587%0.87479%0.794SS**  trans-73.4115.5172.4-84.2136.8000109
636V39Very low33.4Very low115 Ų115143.2 Ų143.270%0.69779%0.789SS**  trans-103.9108.3171.6-179.40000107.4K634 L638K634-V636 PolarHBondContact O-N 3.28Å; V636-L638 PolarHBondContact O-N 3.26Å
637G31.8Very low33.6Very low79 Ų79138.8 Ų138.881%0.81479%0.786SS**  trans-75.6119.9174.700000110.2
638L38Very low33.8Very low160 Ų160139.1 Ų139.184%0.83879%0.788SS**  trans-106.6124.9167.3-89155.3000108.8V636V636-L638 PolarHBondContact O-N 3.26Å
639A37.7Very low33.9Very low90 Ų90138 Ų13874%0.74478%0.781SS**  trans-71.3154.4174.800000110.7
640S40.4Very low34.2Very low120 Ų120137.7 Ų137.784%0.83979%0.785SS**SBendtrans87.8118.6-178.175.70000114.8H642S640-H642 PolarHBondContact O-N 3.46Å
641G37.4Very low34.6Very low72 Ų72136.9 Ų136.974%0.74278%0.782SS**SBendtrans-70.2116.8-16100000113.4
642H38.2Very low35.2Very low186 Ų186142.8 Ų142.886%0.86181%0.806SS**  trans-166.7116.2130.5-90.5-65.7000105.5S640 I644S640-H642 PolarHBondContact O-N 3.46Å; H642-I644 PolarHBondContact O-N 3.43Å; H642-I644 VanDerWaalsContact O-N 3.08Å
643L34.2Very low35.4Very low173 Ų173139.4 Ų139.491%0.90680%0.8SS**  trans-67.9103.9-175.9-98.3101.2000110.2
644I36.3Very low35.7Very low142 Ų142140 Ų14073%0.72880%0.802SS**  trans-124106.3155.8-58.9179.5000106.3H642 I646H642-I644 PolarHBondContact O-N 3.43Å; H642-I644 VanDerWaalsContact O-N 3.08Å; I644-I646 HydrophobicContact CG2-CG1 3.99Å; I644-I646 PolarHBondContact O-N 3.3Å
645S33.6Very low35.9Very low108 Ų108137.3 Ų137.376%0.75580%0.801SS**  trans-74.9102175.1-71.80000108.7
646I35.6Very low36.2Very low136 Ų136135.5 Ų135.570%0.69780%0.796SS**  trans-94.6110.2170.7-59179.2000107.9I644 L648I644-I646 HydrophobicContact CG2-CG1 3.99Å; I644-I646 PolarHBondContact O-N 3.3Å; I646-L648 HydrophobicContact CG2-CD1 4.32Å; I646-L648 PolarHBondContact O-N 3.4Å
647V33.5Very low36Very low121 Ų121136.8 Ų136.873%0.73380%0.802SS**  trans-87.6102.4174.3-178.60000107.8I649V647-I649 HydrophobicContact CG1-CD1 4.44Å; V647-I649 HydrophobicContact CG1-CG1 3.93Å
648L33.3Very low36.3Very low149 Ų149140.7 Ų140.778%0.7880%0.802SS**  trans-88.3109.8171.5-102.2141.4000109.3I646I646-L648 HydrophobicContact CG2-CD1 4.32Å; I646-L648 PolarHBondContact O-N 3.4Å
649I32.9Very low36.1Very low114 Ų114139.3 Ų139.359%0.58580%0.799SS**  trans-95.6106.3174.3-55177.6000107.2V647 F651V647-I649 HydrophobicContact CG1-CD1 4.44Å; V647-I649 HydrophobicContact CG1-CG1 3.93Å; I649-F651 HydrophobicContact CB-CE2 4.44Å; I649-F651 HydrophobicContact CG2-CD2 4.25Å; I649-F651 HydrophobicContact CG2-CE1 4.35Å; I649-F651 HydrophobicContact CG2-CE2 3.7Å; I649-F651 HydrophobicContact CG2-CZ 3.77Å
650T35.8Very low36Very low126 Ų126143.1 Ų143.177%0.77380%0.803SS**  trans-98.4120.6169.647.70000109.5
651F37.6Very low35.6Very low173 Ų173145 Ų14576%0.75980%0.8SS**  trans-82.7132.6172.4-62.7-91.2000108.7I649I649-F651 HydrophobicContact CB-CE2 4.44Å; I649-F651 HydrophobicContact CG2-CD2 4.25Å; I649-F651 HydrophobicContact CG2-CE1 4.35Å; I649-F651 HydrophobicContact CG2-CE2 3.7Å; I649-F651 HydrophobicContact CG2-CZ 3.77Å
652N39.4Very low35.5Very low240 Ų240151.6 Ų151.6100%1.28381%0.806SS**  trans-115.80173.1-123.312.9000109

Retrieved 652 of 652 residues in 1281.8 ms (Link to these results)

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