A0A077Z3Y1_TRITR Loading...

glycogenin glucosyltransferase

Self-glucosylating initiator of glycogen synthesis. It catalyzes the formation of a short alpha (1,4)-glucosyl chain covalently attached via a glucose 1-O-tyrosyl linkage to internal tyrosine residues and these chains act as primers for the elongation reaction catalyzed by glycogen synthase.

AlphaFold DB , UniProt , Accession A0A077Z3Y1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 286 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M62.3Low89.5Confident157 Ų15757.1 Ų57.177%0.77331%0.305SS*.  0139.30-74.1178.3-155.800106.9I3 R35M1-I3 PolarHBondContact O-N 3.33Å; M1-R35 HydrophobicContact CB-CG 4.38Å; M1-R35 HydrophobicContact SD-CG 4.01Å; M1-R35 PolarHBondContact SD-NE 2.84Å
2V75.9Confident90.1Very high118 Ų11853.7 Ų53.772%0.71529%0.287SS*.  trans-70.7122.3175.3-178.20000107.7
3I79.7Confident90.2Very high76 Ų7649.5 Ų49.539%0.3927%0.265SS..  trans-83.6130.7172.9-63.8176.1000107.3M1 T5 R35 V37M1-I3 PolarHBondContact O-N 3.33Å; I3-T5 PolarHBondContact O-N 3.15Å; I3-R35 VanDerWaalsContact CA-O 3.3Å; I3-R35 WeakPolarHBondContact CA-O 3.27Å; I3-V37 HydrophobicContact CG2-CG2 4.16Å
4H85Confident90.3Very high80 Ų8047.9 Ų47.937%0.3726%0.257SS..EExtended strand (participates in β ladder)trans-76.9104.8171.1-64.8-92.9000108.3D6 Q7 R35H4-D6 VanDerWaalsContact C-N 3.27Å; H4-D6 PolarHBondContact O-N 2.95Å; H4-Q7 HydrophobicContact CB-CB 4.42Å; H4-R35 PolarHBondContact N-O 3.27Å
5T91.5Very high90.2Very high107 Ų10748.4 Ų48.466%0.65626%0.26SS*.EExtended strand (participates in β ladder)trans-77.1-13-17356.90000113.5I3I3-T5 PolarHBondContact O-N 3.15Å
6D96.9Very high90Very high46 Ų4649.1 Ų49.125%0.24626%0.264CS..EExtended strand (participates in β ladder)trans-97.68.6178.764.7-15.8000113.5H4 Y98 K99H4-D6 VanDerWaalsContact C-N 3.27Å; H4-D6 PolarHBondContact O-N 2.95Å; D6-Y98 CarbonylContact O-C 3.49Å; D6-Y98 WeakPolarHBondContact O-CA 3.43Å; D6-K99 HydrophobicContact CB-CD 4.32Å; D6-K99 HydrophobicContact CB-CG 4.22Å; D6-K99 PolarHBondContact O-N 3.38Å; D6-K99 WeakPolarHBondContact OD2-CD 3.37Å; D6-K99 WeakPolarHBondContact OD2-CE 3.36Å; D6-K99 IonicContact OD2-NZ 3.75Å; D6-K99 PolarHBondContact OD2-NZ 3.48Å
7Q98.5Very high89.7Confident35 Ų3549 Ų4916%0.16427%0.268CS..EExtended strand (participates in β ladder)trans-135134.6178.3-72.1-175.7-15.500111.1H4 V37 K100 F118H4-Q7 HydrophobicContact CB-CB 4.42Å; Q7-V37 PolarHBondContact O-N 3.09Å; Q7-K100 VanDerWaalsContact CA-O 3.26Å; Q7-K100 WeakPolarHBondContact CA-O 3.5Å; Q7-K100 HydrophobicContact CG-CB 4.36Å; Q7-F118 HydrophobicContact CB-CD1 3.74Å; Q7-F118 HydrophobicContact CB-CE1 3.81Å; Q7-F118 HydrophobicContact CG-CD1 3.99Å
8A98.7Very high89.5Confident0 Ų050.6 Ų50.60%027%0.27CS..EExtended strand (participates in β ladder)trans-136.5144.4-175.100000114.6V10 V37 H39 Y98 K100 C101 V102 F118A8-V10 HydrophobicContact CB-CG2 4.23Å; A8-V37 CarbonylContact C-O 3.6Å; A8-V37 WeakPolarHBondContact CA-O 3.37Å; A8-V37 HydrophobicContact CB-CB 3.98Å; A8-V37 HydrophobicContact CB-CG1 4.39Å; A8-H39 HydrophobicContact CB-CB 4.33Å; A8-Y98 HydrophobicContact CB-CD1 3.92Å; A8-Y98 HydrophobicContact CB-CD2 3.84Å; A8-Y98 HydrophobicContact CB-CE1 3.83Å; A8-Y98 HydrophobicContact CB-CE2 3.74Å; A8-Y98 HydrophobicContact CB-CG 3.93Å; A8-K100 PolarHBondContact N-O 3.45Å; A8-C101 CarbonylContact O-C 3.47Å; A8-C101 WeakPolarHBondContact O-CA 3.4Å; A8-V102 PolarHBondContact O-N 3.1Å; A8-F118 WeakPolarHBondContact O-CE1 3.14Å; A8-F118 WeakPolarHBondContact O-CZ 3.39Å
9W98.8Very high89.3Confident4 Ų447.9 Ų47.92%0.01526%0.256CS..EExtended strand (participates in β ladder)trans-79.6127.7155.6-64.494.9000108.1L29 T34 V37 L38 H39 V102 V104 S114 L117 F118 I213W9-L29 HydrophobicContact CB-CD1 3.92Å; W9-L29 HydrophobicContact CD2-CD1 4.23Å; W9-L29 HydrophobicContact CD2-CD2 3.56Å; W9-L29 HydrophobicContact CE3-CD2 3.96Å; W9-L29 HydrophobicContact CG-CD1 3.95Å; W9-L29 HydrophobicContact CG-CD2 3.92Å; W9-L29 HydrophobicContact CH2-CD2 4.33Å; W9-L29 HydrophobicContact CZ2-CD2 3.96Å; W9-L29 HydrophobicContact CZ3-CD2 4.31Å; W9-T34 PolarHBondContact NE1-OG1 3.35Å; W9-V37 PolarHBondContact N-O 3.38Å; W9-L38 HydrophobicContact CB-CD2 3.78Å; W9-L38 HydrophobicContact CG-CD2 4.01Å; W9-H39 PolarHBondContact O-N 3.35Å; W9-V102 WeakPolarHBondContact CA-O 3.3Å; W9-V102 HydrophobicContact CD2-CB 4.35Å; W9-V102 HydrophobicContact CE3-CB 3.66Å; W9-V102 HydrophobicContact CE3-CG1 3.76Å; W9-V102 HydrophobicContact CE3-CG2 4.5Å; W9-V102 HydrophobicContact CH2-CB 4.44Å; W9-V102 HydrophobicContact CH2-CG1 4.26Å; W9-V102 HydrophobicContact CZ3-CB 3.73Å; W9-V102 HydrophobicContact CZ3-CG1 3.41Å; W9-V102 VanDerWaalsContact CZ3-CG1 3.41Å; W9-V102 HydrophobicContact CZ3-CG2 4.32Å; W9-V104 HydrophobicContact CE3-CG2 3.64Å; W9-V104 HydrophobicContact CZ3-CG2 3.78Å; W9-S114 WeakPolarHBondContact CH2-O 3.47Å; W9-L117 HydrophobicContact CH2-CD1 3.96Å; W9-L117 HydrophobicContact CZ3-CD1 4.2Å; W9-F118 HydrophobicContact CD2-CE2 4.11Å; W9-F118 HydrophobicContact CD2-CZ 4.16Å; W9-F118 AromaticContact CE2-CE2 3.54Å; W9-F118 HydrophobicContact CG-CZ 4.22Å; W9-F118 HydrophobicContact CH2-CE2 4.4Å; W9-F118 AromaticContact CZ2-CE2 3.71Å; W9-F118 HydrophobicContact CZ2-CE2 3.71Å; W9-F118 AromaticContact NE1-CE2 3.63Å; W9-F118 AromaticContact NE1-CZ 3.95Å; W9-I213 HydrophobicContact CZ3-CD1 4.43Å
10V98.8Very high89.1Confident3 Ų349.1 Ų49.12%0.01826%0.262CS..EExtended strand (participates in β ladder)trans-117.9134.8-176.5-176.90000109.3A8 H39 M41 C92 L95 C101 V102 F103 V104 F142A8-V10 HydrophobicContact CB-CG2 4.23Å; V10-H39 WeakPolarHBondContact CA-O 3.41Å; V10-H39 HydrophobicContact CG2-CB 4.31Å; V10-M41 HydrophobicContact CG1-CE 4.16Å; V10-M41 HydrophobicContact CG1-CG 4.38Å; V10-M41 HydrophobicContact CG1-SD 4.33Å; V10-C92 HydrophobicContact CG1-CB 4.03Å; V10-L95 HydrophobicContact CG1-CD1 3.77Å; V10-L95 HydrophobicContact CG2-CD1 3.89Å; V10-C101 HydrophobicContact CG2-CB 3.82Å; V10-V102 PolarHBondContact N-O 2.94Å; V10-F103 HydrophobicContact CB-CD2 4.28Å; V10-F103 HydrophobicContact CG1-CD2 4.01Å; V10-F103 HydrophobicContact CG1-CE2 4.17Å; V10-F103 CarbonylContact O-C 2.98Å; V10-F103 WeakPolarHBondContact O-CA 3.46Å; V10-V104 PolarHBondContact O-N 2.99Å; V10-F142 HydrophobicContact CG2-CZ 4.27Å
11T98.2Very high89Confident2 Ų246.8 Ų46.81%0.01225%0.25CC..EExtended strand (participates in β ladder)trans-135.1164.1169.7-162.50000110.5A22 L25 H39 C40 M41 Y58 V104 A106T11-A22 HydrophobicContact CG2-CB 4.25Å; T11-L25 HydrophobicContact CG2-CD2 4.32Å; T11-H39 PolarHBondContact N-O 3Å; T11-C40 HydrophobicContact CG2-CB 4.23Å; T11-M41 PolarHBondContact O-N 2.91Å; T11-Y58 HydrophobicContact CG2-CE1 3.8Å; T11-Y58 WeakPolarHBondContact CG2-OH 3.07Å; T11-V104 WeakPolarHBondContact CA-O 3.27Å; T11-V104 WeakPolarHBondContact CB-O 3.35Å; T11-V104 PolarHBondContact OG1-O 2.77Å; T11-A106 PolarHBondContact OG1-N 2.61Å
12L96.6Very high90.3Very high16 Ų1639.3 Ų39.38%0.08421%0.213CC..EExtended strand (participates in β ladder)trans-121.5136175.3172.365.6000110.2T14 M41 T88 K89 F103L12-T14 HydrophobicContact CD1-CG2 4.35Å; L12-T14 HydrophobicContact CD2-CG2 3.93Å; L12-T14 HydrophobicContact CG-CG2 4.01Å; L12-M41 WeakPolarHBondContact CA-O 3.44Å; L12-M41 HydrophobicContact CB-CE 4.1Å; L12-M41 HydrophobicContact CD1-CB 3.94Å; L12-M41 HydrophobicContact CD1-CE 4.44Å; L12-T88 HydrophobicContact CD1-CG2 3.68Å; L12-T88 HydrophobicContact CD2-CG2 3.98Å; L12-K89 HydrophobicContact CD2-CB 3.88Å; L12-F103 HydrophobicContact CB-CZ 3.95Å
13V92.4Very high90.8Very high0 Ų035.1 Ų35.10%019%0.186CC..EExtended strand (participates in β ladder)trans-122.3127.5167.5-66.70000110.5A22 M41 V42 A43 V46 L54 A106V13-A22 HydrophobicContact CG1-CB 3.28Å; V13-M41 WeakPolarHBondContact CG2-O 3.41Å; V13-M41 PolarHBondContact N-O 3.4Å; V13-V42 HydrophobicContact CG2-CB 4.12Å; V13-V42 HydrophobicContact CG2-CG1 4.01Å; V13-V42 HydrophobicContact CG2-CG2 3.71Å; V13-A43 PolarHBondContact O-N 3.5Å; V13-V46 HydrophobicContact CB-CG2 4.43Å; V13-V46 HydrophobicContact CG2-CG2 4.14Å; V13-L54 HydrophobicContact CG2-CD1 3.83Å; V13-A106 HydrophobicContact CG1-CB 4.28Å
14T90.7Very high91.2Very high26 Ų2635 Ų3516%0.1619%0.189CC..  trans-105.5-18.3-177.356.40000113.7L12 A43 I85L12-T14 HydrophobicContact CD1-CG2 4.35Å; L12-T14 HydrophobicContact CD2-CG2 3.93Å; L12-T14 HydrophobicContact CG-CG2 4.01Å; T14-A43 HydrophobicContact CG2-CB 4.34Å; T14-I85 HydrophobicContact CG2-CG1 4.36Å; T14-I85 HydrophobicContact CG2-CG2 4.11Å
15N88.5Confident91.5Very high56 Ų5631.2 Ų31.230%0.29917%0.171SC..SBendtrans-155.8170-179.359.665.2000110.6S17 Y18 C19N15-S17 VanDerWaalsContact C-N 3.27Å; N15-S17 PolarHBondContact O-N 3.28Å; N15-S17 WeakPolarHBondContact OD1-CA 3.37Å; N15-S17 VanDerWaalsContact OD1-CB 3.27Å; N15-S17 WeakPolarHBondContact OD1-CB 3.17Å; N15-S17 PolarHBondContact OD1-N 2.67Å; N15-Y18 PolarHBondContact O-N 3.24Å; N15-Y18 PolarHBondContact OD1-N 2.79Å; N15-C19 PolarHBondContact O-N 2.86Å; N15-C19 VanDerWaalsContact O-N 3.13Å
16D88Confident91.6Very high59 Ų5926.1 Ų26.132%0.31614%0.14SC..Hα-helixtrans-62.8-29-177.5-745.2000113.9C19 V46 S47 M50D16-C19 VanDerWaalsContact O-CB 3.26Å; D16-C19 WeakPolarHBondContact O-CB 3.48Å; D16-C19 PolarHBondContact O-N 2.86Å; D16-V46 WeakPolarHBondContact OD1-CA 3.14Å; D16-S47 VanDerWaalsContact CG-OG 3.29Å; D16-S47 PolarHBondContact OD1-N 3.24Å; D16-S47 PolarHBondContact OD1-OG 3.42Å; D16-S47 WeakPolarHBondContact OD2-CB 3.08Å; D16-S47 PolarHBondContact OD2-OG 2.78Å; D16-M50 HydrophobicContact CB-CG 3.82Å; D16-M50 WeakPolarHBondContact OD1-CG 3.34Å
17S84.1Confident91.3Very high48 Ų4829.4 Ų29.434%0.33615%0.154SC..Hα-helixtrans-65.4-47.3176.7-177.70000111N15 C19 L20 W223N15-S17 VanDerWaalsContact C-N 3.27Å; N15-S17 PolarHBondContact O-N 3.28Å; N15-S17 WeakPolarHBondContact OD1-CA 3.37Å; N15-S17 VanDerWaalsContact OD1-CB 3.27Å; N15-S17 WeakPolarHBondContact OD1-CB 3.17Å; N15-S17 PolarHBondContact OD1-N 2.67Å; S17-C19 VanDerWaalsContact C-N 3.25Å; S17-C19 PolarHBondContact O-N 3Å; S17-L20 WeakPolarHBondContact O-CB 3.2Å; S17-L20 PolarHBondContact O-N 3.27Å; S17-W223 PolarHBondContact O-NE1 3.03Å; S17-W223 VanDerWaalsContact O-NE1 3.12Å; S17-W223 PolarHBondContact OG-NE1 2.54Å
18Y86.9Confident90.9Very high77 Ų7728.2 Ų28.230%0.30215%0.149SC..Hα-helixtrans-70.5-20.4176.1-84-99.8000113.1N15 L20 G21 A22 A106 W223N15-Y18 PolarHBondContact O-N 3.24Å; N15-Y18 PolarHBondContact OD1-N 2.79Å; Y18-L20 VanDerWaalsContact C-N 3.25Å; Y18-L20 PolarHBondContact O-N 3.04Å; Y18-G21 PolarHBondContact O-N 2.96Å; Y18-A22 PolarHBondContact O-N 2.9Å; Y18-A106 HydrophobicContact CD1-CB 4.13Å; Y18-W223 HydrophobicContact CD1-CH2 4.43Å; Y18-W223 HydrophobicContact CD1-CZ2 4.28Å; Y18-W223 HydrophobicContact CG-CZ2 4.34Å
19C86Confident90.8Very high0 Ų028.4 Ų28.40%015%0.15CC..Hα-helixtrans-58.2-38.6169.8-174.20000111.8N15 D16 S17 G21 A22 L23 M50 L54N15-C19 PolarHBondContact O-N 2.86Å; N15-C19 VanDerWaalsContact O-N 3.13Å; D16-C19 VanDerWaalsContact O-CB 3.26Å; D16-C19 WeakPolarHBondContact O-CB 3.48Å; D16-C19 PolarHBondContact O-N 2.86Å; S17-C19 VanDerWaalsContact C-N 3.25Å; S17-C19 PolarHBondContact O-N 3Å; C19-G21 VanDerWaalsContact C-N 3.32Å; C19-G21 PolarHBondContact O-N 2.71Å; C19-A22 PolarHBondContact O-N 2.79Å; C19-L23 VanDerWaalsContact O-CG 3.31Å; C19-L23 WeakPolarHBondContact O-CG 3.35Å; C19-L23 PolarHBondContact O-N 3.19Å; C19-M50 HydrophobicContact CB-CB 4.11Å; C19-M50 HydrophobicContact CB-CG 4.1Å; C19-M50 HydrophobicContact CB-SD 4.14Å; C19-L54 VanDerWaalsContact SG-CG 3.59Å
20L85.1Confident90.5Very high72 Ų7232.2 Ų32.238%0.37717%0.165SC..Hα-helixtrans-60.5-43.1175.7-60.2179.3000111.7S17 Y18 L23 V24 W223S17-L20 WeakPolarHBondContact O-CB 3.2Å; S17-L20 PolarHBondContact O-N 3.27Å; Y18-L20 VanDerWaalsContact C-N 3.25Å; Y18-L20 PolarHBondContact O-N 3.04Å; L20-L23 PolarHBondContact O-N 3.21Å; L20-V24 WeakPolarHBondContact O-CG2 3.25Å; L20-V24 PolarHBondContact O-N 3.4Å; L20-V24 VanDerWaalsContact O-N 3.14Å; L20-W223 HydrophobicContact CB-CB 3.99Å; L20-W223 HydrophobicContact CB-CD2 4.4Å; L20-W223 HydrophobicContact CB-CG 3.97Å; L20-W223 HydrophobicContact CD1-CB 4.01Å; L20-W223 HydrophobicContact CD1-CG 4.21Å
21G85.9Confident90.1Very high1 Ų140.7 Ų40.71%0.0120%0.201CC..Hα-helixtrans-61.2-48174.200000112.7Y18 C19 L23 V24 L25 A106Y18-G21 PolarHBondContact O-N 2.96Å; C19-G21 VanDerWaalsContact C-N 3.32Å; C19-G21 PolarHBondContact O-N 2.71Å; G21-L23 VanDerWaalsContact C-N 3.33Å; G21-L23 PolarHBondContact O-N 3.18Å; G21-V24 WeakPolarHBondContact O-CB 3.29Å; G21-V24 PolarHBondContact O-N 3.17Å; G21-V24 VanDerWaalsContact O-N 3.11Å; G21-L25 PolarHBondContact O-N 3.01Å; G21-A106 CarbonylContact C-O 3.47Å; G21-A106 WeakPolarHBondContact CA-O 3.38Å
22A90.5Very high89.8Confident0 Ų041.7 Ų41.70%021%0.207CC..Hα-helixtrans-61.2-39.2176.700000112.4T11 V13 Y18 C19 V24 L25 G26 L54 Y58 A106T11-A22 HydrophobicContact CG2-CB 4.25Å; V13-A22 HydrophobicContact CG1-CB 3.28Å; Y18-A22 PolarHBondContact O-N 2.9Å; C19-A22 PolarHBondContact O-N 2.79Å; A22-V24 VanDerWaalsContact C-N 3.33Å; A22-V24 PolarHBondContact O-N 3.47Å; A22-L25 PolarHBondContact O-N 2.93Å; A22-G26 PolarHBondContact O-N 3.34Å; A22-L54 HydrophobicContact CB-CD2 4.04Å; A22-Y58 HydrophobicContact CB-CE2 4.39Å; A22-Y58 PolarHBondContact O-OH 3.35Å; A22-A106 HydrophobicContact CB-CB 4.07Å
23L86.3Confident89.8Confident30 Ų3047.8 Ų47.816%0.15723%0.233CC..Hα-helixtrans-60.1-44.3174-70.3168.9000111.4C19 L20 G21 G26 H27 N53 L54 V57C19-L23 VanDerWaalsContact O-CG 3.31Å; C19-L23 WeakPolarHBondContact O-CG 3.35Å; C19-L23 PolarHBondContact O-N 3.19Å; L20-L23 PolarHBondContact O-N 3.21Å; G21-L23 VanDerWaalsContact C-N 3.33Å; G21-L23 PolarHBondContact O-N 3.18Å; L23-G26 PolarHBondContact O-N 3.31Å; L23-H27 WeakPolarHBondContact O-CB 3.47Å; L23-H27 PolarHBondContact O-CD2 2.94Å; L23-H27 PolarHBondContact O-N 3.37Å; L23-N53 HydrophobicContact CD1-CB 4.12Å; L23-N53 HydrophobicContact CD2-CB 4.2Å; L23-L54 HydrophobicContact CD2-CD2 4.2Å; L23-L54 HydrophobicContact CG-CD2 4.36Å; L23-V57 HydrophobicContact CD2-CB 4.44Å; L23-V57 HydrophobicContact CD2-CG2 3.75Å
24V87.4Confident90Very high72 Ų7248.5 Ų48.544%0.43624%0.238SC..Hα-helixtrans-60.1-47.9174.31720000110.9L20 G21 A22 H27 S28 M109L20-V24 WeakPolarHBondContact O-CG2 3.25Å; L20-V24 PolarHBondContact O-N 3.4Å; L20-V24 VanDerWaalsContact O-N 3.14Å; G21-V24 WeakPolarHBondContact O-CB 3.29Å; G21-V24 PolarHBondContact O-N 3.17Å; G21-V24 VanDerWaalsContact O-N 3.11Å; A22-V24 VanDerWaalsContact C-N 3.33Å; A22-V24 PolarHBondContact O-N 3.47Å; V24-H27 PolarHBondContact O-N 3.16Å; V24-S28 VanDerWaalsContact O-CB 3.25Å; V24-S28 WeakPolarHBondContact O-CB 3.17Å; V24-S28 PolarHBondContact O-N 3.3Å; V24-S28 PolarHBondContact O-OG 2.89Å; V24-M109 HydrophobicContact CG1-CB 4.43Å; V24-M109 HydrophobicContact CG1-CG 4.17Å; V24-M109 HydrophobicContact CG1-SD 3.96Å
25L92.8Very high90.3Very high2 Ų252.7 Ų52.71%0.0125%0.25CS..Hα-helixtrans-57.2-54.3177.5173.259.1000111.4T11 G21 A22 H27 S28 L29 V104 V110T11-L25 HydrophobicContact CG2-CD2 4.32Å; G21-L25 PolarHBondContact O-N 3.01Å; A22-L25 PolarHBondContact O-N 2.93Å; L25-H27 PolarHBondContact O-N 2.79Å; L25-S28 PolarHBondContact O-N 3.13Å; L25-S28 VanDerWaalsContact O-N 3.12Å; L25-S28 PolarHBondContact O-OG 3.49Å; L25-L29 HydrophobicContact CD1-CD1 3.99Å; L25-L29 HydrophobicContact CD1-CG 4.33Å; L25-L29 HydrophobicContact CG-CD1 4.16Å; L25-L29 PolarHBondContact O-N 2.8Å; L25-V104 HydrophobicContact CD1-CB 4.35Å; L25-V104 HydrophobicContact CD1-CG1 3.61Å; L25-V104 HydrophobicContact CD2-CB 4.04Å; L25-V104 HydrophobicContact CD2-CG1 3.79Å; L25-V104 HydrophobicContact CG-CG1 4.36Å; L25-V110 HydrophobicContact CD1-CG2 3.86Å
26G91.9Very high90.8Very high0 Ų051.3 Ų51.30%024%0.241CC..Hα-helixtrans-58.6-46179.800000112.4A22 L23 S28 L29 R30 V57 Y58A22-G26 PolarHBondContact O-N 3.34Å; L23-G26 PolarHBondContact O-N 3.31Å; G26-S28 VanDerWaalsContact C-N 3.33Å; G26-S28 PolarHBondContact O-N 3.37Å; G26-L29 PolarHBondContact O-N 2.98Å; G26-R30 WeakPolarHBondContact O-CG 3.26Å; G26-R30 PolarHBondContact O-N 3.05Å; G26-R30 VanDerWaalsContact O-N 3.08Å; G26-V57 VanDerWaalsContact C-CG1 3.49Å; G26-Y58 PolarHBondContact N-OH 3.37Å
27H91Very high91.3Very high114 Ų11449.1 Ų49.153%0.52823%0.23SC..Hα-helixtrans-62.3-39.5174.7-80.8-62.4000112.6L23 V24 L25 R30 K31 V57L23-H27 WeakPolarHBondContact O-CB 3.47Å; L23-H27 PolarHBondContact O-CD2 2.94Å; L23-H27 PolarHBondContact O-N 3.37Å; V24-H27 PolarHBondContact O-N 3.16Å; L25-H27 PolarHBondContact O-N 2.79Å; H27-R30 PolarHBondContact O-N 2.95Å; H27-K31 VanDerWaalsContact O-CB 3.32Å; H27-K31 WeakPolarHBondContact O-CB 3.42Å; H27-K31 PolarHBondContact O-N 2.94Å; H27-V57 WeakPolarHBondContact NE2-CG2 3.41Å
28S90.6Very high92Very high11 Ų1146.8 Ų46.88%0.07721%0.214CC..Hα-helixtrans-64.8-41.7179.278.70000112.1V24 L25 G26 K31 T32 V110V24-S28 VanDerWaalsContact O-CB 3.25Å; V24-S28 WeakPolarHBondContact O-CB 3.17Å; V24-S28 PolarHBondContact O-N 3.3Å; V24-S28 PolarHBondContact O-OG 2.89Å; L25-S28 PolarHBondContact O-N 3.13Å; L25-S28 VanDerWaalsContact O-N 3.12Å; L25-S28 PolarHBondContact O-OG 3.49Å; G26-S28 VanDerWaalsContact C-N 3.33Å; G26-S28 PolarHBondContact O-N 3.37Å; S28-K31 PolarHBondContact O-N 2.89Å; S28-T32 WeakPolarHBondContact O-CG2 3.32Å; S28-T32 PolarHBondContact O-N 3.34Å; S28-T32 PolarHBondContact O-OG1 3.31Å; S28-V110 VanDerWaalsContact CB-O 3.3Å; S28-V110 WeakPolarHBondContact CB-O 3.47Å; S28-V110 WeakPolarHBondContact OG-CB 3.29Å; S28-V110 PolarHBondContact OG-N 3.04Å
29L96.3Very high92.5Very high3 Ų343.1 Ų43.12%0.01620%0.199CC..Hα-helixtrans-61.9-43.5173.4-78.1165.5000112.5W9 L25 G26 T32 K33 T34 L38 V110W9-L29 HydrophobicContact CB-CD1 3.92Å; W9-L29 HydrophobicContact CD2-CD1 4.23Å; W9-L29 HydrophobicContact CD2-CD2 3.56Å; W9-L29 HydrophobicContact CE3-CD2 3.96Å; W9-L29 HydrophobicContact CG-CD1 3.95Å; W9-L29 HydrophobicContact CG-CD2 3.92Å; W9-L29 HydrophobicContact CH2-CD2 4.33Å; W9-L29 HydrophobicContact CZ2-CD2 3.96Å; W9-L29 HydrophobicContact CZ3-CD2 4.31Å; L25-L29 HydrophobicContact CD1-CD1 3.99Å; L25-L29 HydrophobicContact CD1-CG 4.33Å; L25-L29 HydrophobicContact CG-CD1 4.16Å; L25-L29 PolarHBondContact O-N 2.8Å; G26-L29 PolarHBondContact O-N 2.98Å; L29-T32 PolarHBondContact O-N 3.24Å; L29-T32 PolarHBondContact O-OG1 3.28Å; L29-T32 VanDerWaalsContact O-OG1 3.07Å; L29-K33 PolarHBondContact O-N 3.32Å; L29-T34 HydrophobicContact CB-CG2 4.13Å; L29-T34 WeakPolarHBondContact O-CG2 3.38Å; L29-T34 PolarHBondContact O-N 3.11Å; L29-L38 HydrophobicContact CB-CD1 4.22Å; L29-L38 HydrophobicContact CB-CD2 4.06Å; L29-L38 HydrophobicContact CD1-CD2 3.77Å; L29-L38 HydrophobicContact CG-CD2 4.45Å; L29-V110 HydrophobicContact CD2-CB 4.25Å; L29-V110 HydrophobicContact CD2-CG1 4.25Å; L29-V110 HydrophobicContact CD2-CG2 3.73Å; L29-V110 HydrophobicContact CG-CB 4.36Å; L29-V110 HydrophobicContact CG-CG2 3.88Å
30R92Very high93.1Very high84 Ų8443.1 Ų43.132%0.31720%0.199SC..Hα-helixtrans-64.9-42.5175.1-64.7-58.2-168.3-1756.4111.7G26 H27 T32 K33 L38 V57 D59G26-R30 WeakPolarHBondContact O-CG 3.26Å; G26-R30 PolarHBondContact O-N 3.05Å; G26-R30 VanDerWaalsContact O-N 3.08Å; H27-R30 PolarHBondContact O-N 2.95Å; R30-T32 VanDerWaalsContact C-N 3.29Å; R30-T32 PolarHBondContact O-N 3.32Å; R30-K33 WeakPolarHBondContact O-CA 3.46Å; R30-K33 PolarHBondContact O-N 3.29Å; R30-L38 HydrophobicContact CG-CD1 3.91Å; R30-L38 VanDerWaalsContact NE-CD1 3.29Å; R30-V57 PolarHBondContact NE-O 3.15Å; R30-V57 PolarHBondContact NH2-O 3.39Å; R30-D59 IonicContact CZ-OD1 3.56Å; R30-D59 IonicContact CZ-OD2 2.86Å; R30-D59 IonicContact NH1-OD1 2.79Å; R30-D59 PolarHBondContact NH1-OD1 3.21Å; R30-D59 IonicContact NH1-OD2 3.16Å; R30-D59 PolarHBondContact NH1-OD2 2.75Å; R30-D59 VanDerWaalsContact NH1-OD2 3.08Å; R30-D59 IonicContact NH2-OD1 3.08Å; R30-D59 PolarHBondContact NH2-OD1 3.05Å; R30-D59 IonicContact NH2-OD2 3.36Å; R30-D59 PolarHBondContact NH2-OD2 3.36Å
31K91.2Very high93.7Very high182 Ų18239.7 Ų39.779%0.79118%0.181SC*.Hα-helixtrans-61.7-37179.3-175.1179180-178.10111.9H27 S28 K33H27-K31 VanDerWaalsContact O-CB 3.32Å; H27-K31 WeakPolarHBondContact O-CB 3.42Å; H27-K31 PolarHBondContact O-N 2.94Å; S28-K31 PolarHBondContact O-N 2.89Å; K31-K33 PolarHBondContact O-N 3.49Å
32T92.7Very high94.1Very high22 Ų2239.7 Ų39.714%0.13518%0.181CC..THydrogen-bonded Turntrans-81.15.6174.661.10000113.5S28 L29 R30 V110 I111 N113S28-T32 WeakPolarHBondContact O-CG2 3.32Å; S28-T32 PolarHBondContact O-N 3.34Å; S28-T32 PolarHBondContact O-OG1 3.31Å; L29-T32 PolarHBondContact O-N 3.24Å; L29-T32 PolarHBondContact O-OG1 3.28Å; L29-T32 VanDerWaalsContact O-OG1 3.07Å; R30-T32 VanDerWaalsContact C-N 3.29Å; R30-T32 PolarHBondContact O-N 3.32Å; T32-V110 HydrophobicContact CG2-CG1 4.2Å; T32-I111 WeakPolarHBondContact CG2-O 3.39Å; T32-N113 WeakPolarHBondContact O-CB 3.21Å; T32-N113 PolarHBondContact O-ND2 3.38Å
33K96.3Very high94.2Very high144 Ų14439.9 Ų39.963%0.62618%0.183SC*.THydrogen-bonded Turntrans63.439.6172.1-52.1177.2-178.6175.20114L29 R30 K31 N113L29-K33 PolarHBondContact O-N 3.32Å; R30-K33 WeakPolarHBondContact O-CA 3.46Å; R30-K33 PolarHBondContact O-N 3.29Å; K31-K33 PolarHBondContact O-N 3.49Å; K33-N113 PolarHBondContact O-ND2 2.78Å
34T96.9Very high94.2Very high16 Ų1642.5 Ų42.510%0.09820%0.201CC..  trans-54.8145.3170.3-173.50000111.6W9 L29 R36 L38 N113 D115W9-T34 PolarHBondContact NE1-OG1 3.35Å; L29-T34 HydrophobicContact CB-CG2 4.13Å; L29-T34 WeakPolarHBondContact O-CG2 3.38Å; L29-T34 PolarHBondContact O-N 3.11Å; T34-R36 PolarHBondContact OG1-N 3.29Å; T34-L38 HydrophobicContact CG2-CD2 4.02Å; T34-N113 PolarHBondContact N-ND2 3.36Å; T34-D115 WeakPolarHBondContact CA-OD1 3.47Å; T34-D115 VanDerWaalsContact CB-OD1 3.25Å; T34-D115 WeakPolarHBondContact CB-OD1 3.48Å; T34-D115 PolarHBondContact OG1-OD1 3.39Å; T34-D115 PolarHBondContact OG1-OD2 3.31Å
35R97Very high94.1Very high113 Ų11341.7 Ų41.743%0.42621%0.208SC..  trans-107.418175.7-58-177.3-177.9-1722.6112.7M1 I3 H4 D115M1-R35 HydrophobicContact CB-CG 4.38Å; M1-R35 HydrophobicContact SD-CG 4.01Å; M1-R35 PolarHBondContact SD-NE 2.84Å; I3-R35 VanDerWaalsContact CA-O 3.3Å; I3-R35 WeakPolarHBondContact CA-O 3.27Å; H4-R35 PolarHBondContact N-O 3.27Å; R35-D115 PolarHBondContact N-OD2 3.23Å
36R97.8Very high94Very high27 Ų2741.9 Ų41.910%0.10221%0.209CC..EExtended strand (participates in β ladder)trans-108.2160.4-179.5-54.6-50.7-168.3-83.36110.7T34 D115 F118T34-R36 PolarHBondContact OG1-N 3.29Å; R36-D115 IonicContact NH1-OD2 3.54Å; R36-D115 PolarHBondContact NH1-OD2 3.01Å; R36-D115 VanDerWaalsContact NH1-OD2 3.08Å; R36-F118 HydrophobicContact CB-CE2 4.16Å; R36-F118 HydrophobicContact CB-CZ 3.91Å; R36-F118 HydrophobicContact CG-CD2 3.92Å; R36-F118 HydrophobicContact CG-CE1 4.22Å; R36-F118 HydrophobicContact CG-CE2 3.52Å; R36-F118 HydrophobicContact CG-CG 4.44Å; R36-F118 HydrophobicContact CG-CZ 3.67Å
37V98.4Very high94Very high13 Ų1343.8 Ų43.88%0.07922%0.222CC..EExtended strand (participates in β ladder)trans-65.6137.9176.61780000109.1I3 Q7 A8 W9 D59 V60 Y98I3-V37 HydrophobicContact CG2-CG2 4.16Å; Q7-V37 PolarHBondContact O-N 3.09Å; A8-V37 CarbonylContact C-O 3.6Å; A8-V37 WeakPolarHBondContact CA-O 3.37Å; A8-V37 HydrophobicContact CB-CB 3.98Å; A8-V37 HydrophobicContact CB-CG1 4.39Å; W9-V37 PolarHBondContact N-O 3.38Å; V37-D59 WeakPolarHBondContact CA-OD2 3.43Å; V37-D59 HydrophobicContact CG1-CB 3.88Å; V37-V60 HydrophobicContact CG1-CG2 4.13Å; V37-Y98 HydrophobicContact CB-CE1 4.24Å; V37-Y98 HydrophobicContact CG1-CE1 4.13Å; V37-Y98 HydrophobicContact CG2-CE1 4.36Å
38L98.5Very high94.2Very high0 Ų046.5 Ų46.50%023%0.232CC..EExtended strand (participates in β ladder)trans-96.3112.7168-59.4-163.8000109.5W9 L29 R30 T34 Y58 D59 V60W9-L38 HydrophobicContact CB-CD2 3.78Å; W9-L38 HydrophobicContact CG-CD2 4.01Å; L29-L38 HydrophobicContact CB-CD1 4.22Å; L29-L38 HydrophobicContact CB-CD2 4.06Å; L29-L38 HydrophobicContact CD1-CD2 3.77Å; L29-L38 HydrophobicContact CG-CD2 4.45Å; R30-L38 HydrophobicContact CG-CD1 3.91Å; R30-L38 VanDerWaalsContact NE-CD1 3.29Å; T34-L38 HydrophobicContact CG2-CD2 4.02Å; L38-Y58 HydrophobicContact CB-CD1 3.66Å; L38-Y58 HydrophobicContact CB-CE1 4.24Å; L38-Y58 HydrophobicContact CB-CG 4.37Å; L38-D59 PolarHBondContact N-OD2 3.14Å; L38-D59 PolarHBondContact O-N 3.36Å; L38-V60 PolarHBondContact O-N 3.15Å; L38-V60 VanDerWaalsContact O-N 3.11Å
39H98.7Very high94.3Very high0 Ų051.4 Ų51.40%026%0.258CS..EExtended strand (participates in β ladder)trans-111.6123.2179.1-165.2120.8000110.8A8 W9 V10 T11 V60 T62 Y98A8-H39 HydrophobicContact CB-CB 4.33Å; W9-H39 PolarHBondContact O-N 3.35Å; V10-H39 WeakPolarHBondContact CA-O 3.41Å; V10-H39 HydrophobicContact CG2-CB 4.31Å; T11-H39 PolarHBondContact N-O 3Å; H39-V60 CarbonylContact C-O 3.58Å; H39-V60 WeakPolarHBondContact CA-O 3.37Å; H39-T62 WeakPolarHBondContact NE2-CG2 3.45Å; H39-T62 PolarHBondContact NE2-OG1 3.14Å; H39-Y98 HydrophobicContact CB-CE2 4.3Å; H39-Y98 AromaticContact ND1-CE2 3.34Å; H39-Y98 VanDerWaalsContact ND1-CE2 3.34Å; H39-Y98 WeakPolarHBondContact ND1-CE2 3.25Å; H39-Y98 AromaticContact ND1-CZ 3.55Å; H39-Y98 PolarHBondContact ND1-OH 2.97Å
40C98.4Very high94Very high0 Ų053 Ų530%027%0.266CS..EExtended strand (participates in β ladder)trans-111.6118.8174-171.30000110.3T11 Y58 V60 V61 T62T11-C40 HydrophobicContact CG2-CB 4.23Å; C40-Y58 HydrophobicContact CB-CD1 3.56Å; C40-Y58 HydrophobicContact CB-CD2 3.99Å; C40-Y58 HydrophobicContact CB-CE1 3.85Å; C40-Y58 HydrophobicContact CB-CE2 4.26Å; C40-Y58 HydrophobicContact CB-CG 3.64Å; C40-V60 PolarHBondContact N-O 3.12Å; C40-V61 HydrophobicContact CB-CG2 4.44Å; C40-V61 CarbonylContact O-C 3.39Å; C40-V61 VanDerWaalsContact O-CA 3.32Å; C40-V61 WeakPolarHBondContact O-CA 3.37Å; C40-T62 PolarHBondContact O-N 3.19Å
41M97.7Very high94.1Very high0 Ų051.2 Ų51.20%026%0.259CS..EExtended strand (participates in β ladder)trans-84.8134.5169.3-67-171.8-47.900109.3V10 T11 L12 V13 V64 H91 C92 L95 F103V10-M41 HydrophobicContact CG1-CE 4.16Å; V10-M41 HydrophobicContact CG1-CG 4.38Å; V10-M41 HydrophobicContact CG1-SD 4.33Å; T11-M41 PolarHBondContact O-N 2.91Å; L12-M41 WeakPolarHBondContact CA-O 3.44Å; L12-M41 HydrophobicContact CB-CE 4.1Å; L12-M41 HydrophobicContact CD1-CB 3.94Å; L12-M41 HydrophobicContact CD1-CE 4.44Å; V13-M41 WeakPolarHBondContact CG2-O 3.41Å; V13-M41 PolarHBondContact N-O 3.4Å; M41-V64 HydrophobicContact CB-CG2 3.61Å; M41-V64 HydrophobicContact CG-CG2 3.85Å; M41-V64 HydrophobicContact SD-CG2 3.95Å; M41-H91 HydrophobicContact SD-CB 4.43Å; M41-C92 HydrophobicContact CE-CB 3.71Å; M41-C92 HydrophobicContact SD-CB 3.99Å; M41-L95 HydrophobicContact CG-CD1 4.42Å; M41-L95 HydrophobicContact SD-CD1 4.11Å; M41-F103 HydrophobicContact CE-CE2 3.83Å
42V94.9Very high94.2Very high0 Ų045.4 Ų45.40%024%0.239CC..EExtended strand (participates in β ladder)trans-127.9123.5-172.5-172.50000110.3V13 V46 R51 L54 V61 T62 D63 V64V13-V42 HydrophobicContact CG2-CB 4.12Å; V13-V42 HydrophobicContact CG2-CG1 4.01Å; V13-V42 HydrophobicContact CG2-CG2 3.71Å; V42-V46 HydrophobicContact CG1-CB 3.49Å; V42-V46 VanDerWaalsContact CG1-CB 3.49Å; V42-V46 HydrophobicContact CG1-CG1 3.93Å; V42-V46 HydrophobicContact CG1-CG2 3.6Å; V42-R51 HydrophobicContact CG1-CG 4.1Å; V42-L54 HydrophobicContact CG2-CD1 3.93Å; V42-V61 HydrophobicContact CB-CG1 4.5Å; V42-V61 HydrophobicContact CG2-CG1 3.36Å; V42-T62 PolarHBondContact N-O 2.88Å; V42-D63 WeakPolarHBondContact O-CA 3.32Å; V42-V64 PolarHBondContact O-N 3.11Å
43A91.4Very high94Very high5 Ų547.4 Ų47.44%0.04125%0.249CC..  trans-79.3163.6174.100000111.8V13 T14 G45 V46 R51 V66 T88V13-A43 PolarHBondContact O-N 3.5Å; T14-A43 HydrophobicContact CG2-CB 4.34Å; A43-G45 PolarHBondContact O-N 3.09Å; A43-V46 PolarHBondContact O-N 2.74Å; A43-R51 PolarHBondContact O-NH2 2.87Å; A43-V66 HydrophobicContact CB-CG2 4.24Å; A43-T88 HydrophobicContact CB-CG2 4.39Å
44P87Confident93.8Very high84 Ų8440.5 Ų40.555%0.54522%0.219SC..THydrogen-bonded Turntrans-57.6-23.8-179.9-26.736.4000114.8V46 V66P44-V46 PolarHBondContact O-N 2.79Å; P44-V66 HydrophobicContact CG-CG2 4.26Å
45G85.4Confident93.8Very high55 Ų5544.5 Ų44.557%0.56724%0.239SC*.THydrogen-bonded Turntrans-72.3-1.2-178.900000116.2A43A43-G45 PolarHBondContact O-N 3.09Å
46V90.6Very high93.6Very high7 Ų748.1 Ų48.14%0.04225%0.254CS..SBendtrans-93.8129179.4-176.40000110.9V13 D16 V42 A43 P44 M50 R51V13-V46 HydrophobicContact CB-CG2 4.43Å; V13-V46 HydrophobicContact CG2-CG2 4.14Å; D16-V46 WeakPolarHBondContact OD1-CA 3.14Å; V42-V46 HydrophobicContact CG1-CB 3.49Å; V42-V46 VanDerWaalsContact CG1-CB 3.49Å; V42-V46 HydrophobicContact CG1-CG1 3.93Å; V42-V46 HydrophobicContact CG1-CG2 3.6Å; A43-V46 PolarHBondContact O-N 2.74Å; P44-V46 PolarHBondContact O-N 2.79Å; V46-M50 HydrophobicContact CG1-CB 3.62Å; V46-R51 HydrophobicContact CB-CG 4.47Å; V46-R51 HydrophobicContact CG1-CG 3.99Å; V46-R51 WeakPolarHBondContact O-CD 3.41Å; V46-R51 PolarHBondContact O-NE 3.2Å
47S92.3Very high93.2Very high40 Ų4047.3 Ų47.328%0.2825%0.252SS..  trans-66.2157.8-178.967.70000112.9D16 D49 M50 R51D16-S47 VanDerWaalsContact CG-OG 3.29Å; D16-S47 PolarHBondContact OD1-N 3.24Å; D16-S47 PolarHBondContact OD1-OG 3.42Å; D16-S47 WeakPolarHBondContact OD2-CB 3.08Å; D16-S47 PolarHBondContact OD2-OG 2.78Å; S47-D49 VanDerWaalsContact C-N 3.26Å; S47-D49 PolarHBondContact O-N 2.86Å; S47-M50 PolarHBondContact O-N 3.14Å; S47-M50 WeakPolarHBondContact OG-CG 3.41Å; S47-M50 PolarHBondContact OG-N 3.11Å; S47-R51 WeakPolarHBondContact O-CD 3.47Å; S47-R51 VanDerWaalsContact O-CG 3.3Å; S47-R51 WeakPolarHBondContact O-CG 3.19Å; S47-R51 PolarHBondContact O-N 3.18Å
48K94.4Very high93.1Very high170 Ų17047.2 Ų47.274%0.73925%0.251SS*.Hα-helixtrans-59.6-36.5178-172.2-179.5178.1-176.70112.6R51 T52K48-R51 PolarHBondContact O-N 3.42Å; K48-T52 PolarHBondContact O-N 3.38Å; K48-T52 PolarHBondContact O-OG1 2.87Å
49D92.1Very high93.1Very high114 Ų11450.8 Ų50.861%0.6127%0.27SS*.Hα-helixtrans-68.6-44179.2-66.6-15000110.7S47 R51 T52 N53S47-D49 VanDerWaalsContact C-N 3.26Å; S47-D49 PolarHBondContact O-N 2.86Å; D49-R51 PolarHBondContact O-N 3.41Å; D49-T52 WeakPolarHBondContact O-CB 3.31Å; D49-T52 PolarHBondContact O-N 3.27Å; D49-T52 VanDerWaalsContact O-N 3.15Å; D49-N53 PolarHBondContact O-N 2.79Å
50M90.4Very high93.1Very high37 Ų3753 Ų5318%0.18228%0.283CS..Hα-helixtrans-63.1-41174.4-76.8-48.9105.800112.4D16 C19 V46 S47 T52 N53 L54D16-M50 HydrophobicContact CB-CG 3.82Å; D16-M50 WeakPolarHBondContact OD1-CG 3.34Å; C19-M50 HydrophobicContact CB-CB 4.11Å; C19-M50 HydrophobicContact CB-CG 4.1Å; C19-M50 HydrophobicContact CB-SD 4.14Å; V46-M50 HydrophobicContact CG1-CB 3.62Å; S47-M50 PolarHBondContact O-N 3.14Å; S47-M50 WeakPolarHBondContact OG-CG 3.41Å; S47-M50 PolarHBondContact OG-N 3.11Å; M50-T52 VanDerWaalsContact C-N 3.28Å; M50-T52 PolarHBondContact O-N 2.95Å; M50-N53 WeakPolarHBondContact CE-ND2 3.32Å; M50-N53 WeakPolarHBondContact O-CB 3.4Å; M50-N53 PolarHBondContact O-N 2.9Å; M50-N53 VanDerWaalsContact O-N 3.16Å; M50-L54 WeakPolarHBondContact O-CG 3.48Å; M50-L54 PolarHBondContact O-N 3.2Å
51R93.8Very high93Very high47 Ų4754.6 Ų54.618%0.17729%0.293CS..Hα-helixtrans-59-39.9172.2-72159.2174.5-81.64.4112.2V42 A43 V46 S47 K48 D49 N53 L54 N55 D63V42-R51 HydrophobicContact CG1-CG 4.1Å; A43-R51 PolarHBondContact O-NH2 2.87Å; V46-R51 HydrophobicContact CB-CG 4.47Å; V46-R51 HydrophobicContact CG1-CG 3.99Å; V46-R51 WeakPolarHBondContact O-CD 3.41Å; V46-R51 PolarHBondContact O-NE 3.2Å; S47-R51 WeakPolarHBondContact O-CD 3.47Å; S47-R51 VanDerWaalsContact O-CG 3.3Å; S47-R51 WeakPolarHBondContact O-CG 3.19Å; S47-R51 PolarHBondContact O-N 3.18Å; K48-R51 PolarHBondContact O-N 3.42Å; D49-R51 PolarHBondContact O-N 3.41Å; R51-N53 VanDerWaalsContact C-N 3.35Å; R51-L54 PolarHBondContact O-N 3.33Å; R51-N55 PolarHBondContact O-N 3.22Å; R51-N55 PolarHBondContact O-ND2 2.95Å; R51-D63 IonicContact CZ-OD1 2.61Å; R51-D63 IonicContact NH1-OD1 3.8Å; R51-D63 PolarHBondContact NH1-OD1 3.38Å; R51-D63 IonicContact NH1-OD2 3.91Å; R51-D63 IonicContact NH2-OD1 2.62Å; R51-D63 PolarHBondContact NH2-OD1 3.21Å
52T93.6Very high93Very high59 Ų5956.4 Ų56.436%0.36230%0.304SS..Hα-helixtrans-63.4-42.7176.1-580000110.8K48 D49 M50 L54 N55 Y56K48-T52 PolarHBondContact O-N 3.38Å; K48-T52 PolarHBondContact O-OG1 2.87Å; D49-T52 WeakPolarHBondContact O-CB 3.31Å; D49-T52 PolarHBondContact O-N 3.27Å; D49-T52 VanDerWaalsContact O-N 3.15Å; M50-T52 VanDerWaalsContact C-N 3.28Å; M50-T52 PolarHBondContact O-N 2.95Å; T52-L54 PolarHBondContact O-N 2.9Å; T52-N55 PolarHBondContact O-N 3.42Å; T52-Y56 HydrophobicContact CG2-CE2 3.84Å; T52-Y56 WeakPolarHBondContact O-CD2 3.46Å
53N88.6Confident92.9Very high64 Ų6461.8 Ų61.834%0.34233%0.333SS..Hα-helixtrans-61.7-42.4175.2-69.5-25.7000112.9L23 D49 M50 R51 N55 Y56L23-N53 HydrophobicContact CD1-CB 4.12Å; L23-N53 HydrophobicContact CD2-CB 4.2Å; D49-N53 PolarHBondContact O-N 2.79Å; M50-N53 WeakPolarHBondContact CE-ND2 3.32Å; M50-N53 WeakPolarHBondContact O-CB 3.4Å; M50-N53 PolarHBondContact O-N 2.9Å; M50-N53 VanDerWaalsContact O-N 3.16Å; R51-N53 VanDerWaalsContact C-N 3.35Å; N53-N55 VanDerWaalsContact C-N 3.31Å; N53-N55 PolarHBondContact O-N 3.12Å; N53-Y56 PolarHBondContact O-N 2.99Å
54L92.7Very high92.8Very high0 Ų062 Ų620%033%0.334CS..Hα-helixtrans-60.5-40.4177.1-68.5166.4000112.1V13 C19 A22 L23 V42 M50 R51 T52 Y56 V57 Y58 V61V13-L54 HydrophobicContact CG2-CD1 3.83Å; C19-L54 VanDerWaalsContact SG-CG 3.59Å; A22-L54 HydrophobicContact CB-CD2 4.04Å; L23-L54 HydrophobicContact CD2-CD2 4.2Å; L23-L54 HydrophobicContact CG-CD2 4.36Å; V42-L54 HydrophobicContact CG2-CD1 3.93Å; M50-L54 WeakPolarHBondContact O-CG 3.48Å; M50-L54 PolarHBondContact O-N 3.2Å; R51-L54 PolarHBondContact O-N 3.33Å; T52-L54 PolarHBondContact O-N 2.9Å; L54-Y56 PolarHBondContact O-N 3.26Å; L54-V57 PolarHBondContact O-N 3.35Å; L54-Y58 HydrophobicContact CB-CD2 4.38Å; L54-Y58 HydrophobicContact CD2-CD2 3.96Å; L54-Y58 HydrophobicContact CD2-CE2 3.79Å; L54-Y58 PolarHBondContact O-N 3.16Å; L54-V61 HydrophobicContact CB-CG1 4.45Å; L54-V61 HydrophobicContact CB-CG2 4Å
55N95.6Very high92.1Very high99 Ų9962 Ų6253%0.52933%0.329SS..Hα-helixtrans-64.7-17.5178.9-80.6-75.1000113.9R51 T52 N53R51-N55 PolarHBondContact O-N 3.22Å; R51-N55 PolarHBondContact O-ND2 2.95Å; T52-N55 PolarHBondContact O-N 3.42Å; N53-N55 VanDerWaalsContact C-N 3.31Å; N53-N55 PolarHBondContact O-N 3.12Å
56Y92.5Very high91.2Very high190 Ų19062.3 Ų62.375%0.74532%0.32SS*.THydrogen-bonded Turntrans-79.5-18.5172.4-72.1-69.3000113.5T52 N53 L54T52-Y56 HydrophobicContact CG2-CE2 3.84Å; T52-Y56 WeakPolarHBondContact O-CD2 3.46Å; N53-Y56 PolarHBondContact O-N 2.99Å; L54-Y56 PolarHBondContact O-N 3.26Å
57V90.4Very high89.6Confident10 Ų1062.5 Ų62.56%0.06132%0.32CS..THydrogen-bonded Turntrans-111.5-44.6-172.7-176.80000111.5L23 G26 H27 R30 L54L23-V57 HydrophobicContact CD2-CB 4.44Å; L23-V57 HydrophobicContact CD2-CG2 3.75Å; G26-V57 VanDerWaalsContact C-CG1 3.49Å; H27-V57 WeakPolarHBondContact NE2-CG2 3.41Å; R30-V57 PolarHBondContact NE-O 3.15Å; R30-V57 PolarHBondContact NH2-O 3.39Å; L54-V57 PolarHBondContact O-N 3.35Å
58Y97.3Very high87.3Confident11 Ų1165.7 Ų65.74%0.04333%0.334CS..  trans-89143.1-177-71.5-92.5000111.2T11 A22 G26 L38 C40 L54 V60T11-Y58 HydrophobicContact CG2-CE1 3.8Å; T11-Y58 WeakPolarHBondContact CG2-OH 3.07Å; A22-Y58 HydrophobicContact CB-CE2 4.39Å; A22-Y58 PolarHBondContact O-OH 3.35Å; G26-Y58 PolarHBondContact N-OH 3.37Å; L38-Y58 HydrophobicContact CB-CD1 3.66Å; L38-Y58 HydrophobicContact CB-CE1 4.24Å; L38-Y58 HydrophobicContact CB-CG 4.37Å; C40-Y58 HydrophobicContact CB-CD1 3.56Å; C40-Y58 HydrophobicContact CB-CD2 3.99Å; C40-Y58 HydrophobicContact CB-CE1 3.85Å; C40-Y58 HydrophobicContact CB-CE2 4.26Å; C40-Y58 HydrophobicContact CB-CG 3.64Å; L54-Y58 HydrophobicContact CB-CD2 4.38Å; L54-Y58 HydrophobicContact CD2-CD2 3.96Å; L54-Y58 HydrophobicContact CD2-CE2 3.79Å; L54-Y58 PolarHBondContact O-N 3.16Å; Y58-V60 VanDerWaalsContact C-N 3.33Å
59D97.6Very high84.4Confident74 Ų7461.8 Ų61.840%0.39633%0.329SS..SBendtrans-72.2-32.6176.3-62.2-54.8000111.1R30 V37 L38R30-D59 IonicContact CZ-OD1 3.56Å; R30-D59 IonicContact CZ-OD2 2.86Å; R30-D59 IonicContact NH1-OD1 2.79Å; R30-D59 PolarHBondContact NH1-OD1 3.21Å; R30-D59 IonicContact NH1-OD2 3.16Å; R30-D59 PolarHBondContact NH1-OD2 2.75Å; R30-D59 VanDerWaalsContact NH1-OD2 3.08Å; R30-D59 IonicContact NH2-OD1 3.08Å; R30-D59 PolarHBondContact NH2-OD1 3.05Å; R30-D59 IonicContact NH2-OD2 3.36Å; R30-D59 PolarHBondContact NH2-OD2 3.36Å; V37-D59 WeakPolarHBondContact CA-OD2 3.43Å; V37-D59 HydrophobicContact CG1-CB 3.88Å; L38-D59 PolarHBondContact N-OD2 3.14Å; L38-D59 PolarHBondContact O-N 3.36Å
60V97.9Very high82.2Confident48 Ų4859 Ų5929%0.29133%0.327SS..EExtended strand (participates in β ladder)trans-137.8129.7-179-175.20000109.3V37 L38 H39 C40 Y58 T62V37-V60 HydrophobicContact CG1-CG2 4.13Å; L38-V60 PolarHBondContact O-N 3.15Å; L38-V60 VanDerWaalsContact O-N 3.11Å; H39-V60 CarbonylContact C-O 3.58Å; H39-V60 WeakPolarHBondContact CA-O 3.37Å; C40-V60 PolarHBondContact N-O 3.12Å; Y58-V60 VanDerWaalsContact C-N 3.33Å; V60-T62 HydrophobicContact CG1-CG2 3.86Å
61V97.7Very high80.4Confident32 Ų3259.4 Ų59.419%0.19433%0.33CS..EExtended strand (participates in β ladder)trans-122.6113.5172.9-176.20000107.5C40 V42 L54C40-V61 HydrophobicContact CB-CG2 4.44Å; C40-V61 CarbonylContact O-C 3.39Å; C40-V61 VanDerWaalsContact O-CA 3.32Å; C40-V61 WeakPolarHBondContact O-CA 3.37Å; V42-V61 HydrophobicContact CB-CG1 4.5Å; V42-V61 HydrophobicContact CG2-CG1 3.36Å; L54-V61 HydrophobicContact CB-CG1 4.45Å; L54-V61 HydrophobicContact CB-CG2 4Å
62T96.7Very high78.1Confident39 Ų3960.1 Ų60.124%0.23934%0.339CS..EExtended strand (participates in β ladder)trans-112.5143.1-178.955.10000111.7H39 C40 V42 V60H39-T62 WeakPolarHBondContact NE2-CG2 3.45Å; H39-T62 PolarHBondContact NE2-OG1 3.14Å; C40-T62 PolarHBondContact O-N 3.19Å; V42-T62 PolarHBondContact N-O 2.88Å; V60-T62 HydrophobicContact CG1-CG2 3.86Å
63D93.8Very high75.9Confident113 Ų11364.5 Ų64.560%0.60436%0.356SS*.EExtended strand (participates in β ladder)trans-72.8134.2165.3-75.8-56.7000110.2V42 R51V42-D63 WeakPolarHBondContact O-CA 3.32Å; R51-D63 IonicContact CZ-OD1 2.61Å; R51-D63 IonicContact NH1-OD1 3.8Å; R51-D63 PolarHBondContact NH1-OD1 3.38Å; R51-D63 IonicContact NH1-OD2 3.91Å; R51-D63 IonicContact NH2-OD1 2.62Å; R51-D63 PolarHBondContact NH2-OD1 3.21Å
64V88.5Confident74.1Confident10 Ų1066.6 Ų66.66%0.06136%0.362CS..  trans-114.2120.8168-178.90000107.6M41 V42 T88 H91M41-V64 HydrophobicContact CB-CG2 3.61Å; M41-V64 HydrophobicContact CG-CG2 3.85Å; M41-V64 HydrophobicContact SD-CG2 3.95Å; V42-V64 PolarHBondContact O-N 3.11Å; V64-T88 HydrophobicContact CB-CG2 4.16Å; V64-T88 HydrophobicContact CG1-CG2 3.77Å; V64-H91 HydrophobicContact CG1-CB 3.51Å; V64-H91 HydrophobicContact CG2-CB 4.37Å
65D72.9Confident72.2Confident83 Ų8368 Ų6844%0.44437%0.369SS..  trans-70.6133.1173.7-162.2-1.4000109.5M67 D68D65-M67 PolarHBondContact O-N 3.29Å; D65-D68 WeakPolarHBondContact OD2-CB 3.27Å
66V65.9Low70Confident62 Ų6271.3 Ų71.338%0.37638%0.381SS..SBendtrans-80.278.3176.3-178.50000106.2A43 P44A43-V66 HydrophobicContact CB-CG2 4.24Å; P44-V66 HydrophobicContact CG-CG2 4.26Å
67M57.4Low67.8Low11 Ų1169 Ų695%0.05438%0.381CS..SBendtrans47.292.2179.9-67.1-88.7-83.500112.5D65 D71 L75 F87D65-M67 PolarHBondContact O-N 3.29Å; M67-D71 HydrophobicContact CB-CB 4.46Å; M67-D71 HydrophobicContact CE-CB 3.37Å; M67-D71 HydrophobicContact SD-CB 4.16Å; M67-L75 HydrophobicContact CB-CD1 3.95Å; M67-L75 HydrophobicContact CE-CD1 3.48Å; M67-L75 VanDerWaalsContact CE-CD1 3.48Å; M67-L75 HydrophobicContact CE-CD2 4.33Å; M67-L75 HydrophobicContact CE-CG 3.96Å; M67-L75 HydrophobicContact CG-CD1 3.93Å; M67-F87 HydrophobicContact CE-CD1 4.46Å; M67-F87 HydrophobicContact CG-CB 4.12Å
68D43.5Very low66Low106 Ų10670.8 Ų70.857%0.56739%0.389SS*.  trans-44.2142171.3-167.8-4.3000111.1D65 G70 D71D65-D68 WeakPolarHBondContact OD2-CB 3.27Å; D68-G70 PolarHBondContact O-N 3.01Å; D68-D71 PolarHBondContact O-N 3.1Å
69S34.6Very low63.8Low89 Ų8978.6 Ų78.662%0.62243%0.426SS*.Hα-helixtrans-40.7-12.4-170.350.50000118.7T72S69-T72 VanDerWaalsContact C-OG1 3.27Å; S69-T72 WeakPolarHBondContact CA-OG1 3.46Å; S69-T72 PolarHBondContact O-OG1 2.88Å
70G45Very low61.8Low56 Ų5679.9 Ų79.958%0.57743%0.426SS*.Hα-helixtrans-78.4-25.1171.600000114.8D68D68-G70 PolarHBondContact O-N 3.01Å
71D51.8Low59.6Low45 Ų4583.4 Ų83.424%0.24145%0.45CS..Hα-helixtrans-100.9-12.8175.1-75.5-37.8000113M67 D68 E73 K74 L75M67-D71 HydrophobicContact CB-CB 4.46Å; M67-D71 HydrophobicContact CE-CB 3.37Å; M67-D71 HydrophobicContact SD-CB 4.16Å; D68-D71 PolarHBondContact O-N 3.1Å; D71-E73 VanDerWaalsContact C-N 3.27Å; D71-E73 PolarHBondContact O-N 3.46Å; D71-K74 CarbonylContact O-C 3.59Å; D71-K74 PolarHBondContact O-N 2.89Å; D71-K74 VanDerWaalsContact O-N 3.11Å; D71-K74 IonicContact OD1-NZ 3.9Å; D71-K74 PolarHBondContact OD1-NZ 3.32Å; D71-L75 WeakPolarHBondContact O-CB 3.34Å; D71-L75 WeakPolarHBondContact O-CG 3.37Å; D71-L75 PolarHBondContact O-N 3.47Å
72T47.2Very low57.4Low61 Ų6186.5 Ų86.537%0.37447%0.465SS..Hα-helixtrans-62-32.217240.80000112.9S69 L75 H76S69-T72 VanDerWaalsContact C-OG1 3.27Å; S69-T72 WeakPolarHBondContact CA-OG1 3.46Å; S69-T72 PolarHBondContact O-OG1 2.88Å; T72-L75 PolarHBondContact O-N 2.92Å; T72-H76 VanDerWaalsContact O-CB 3.25Å; T72-H76 WeakPolarHBondContact O-CB 3.47Å; T72-H76 PolarHBondContact O-N 3.47Å
73E47.1Very low55.6Low152 Ų15284.7 Ų84.771%0.7145%0.454SS*.Hα-helixtrans-64.1-43.8172.1-99.2-168.4158.500111D71 L77D71-E73 VanDerWaalsContact C-N 3.27Å; D71-E73 PolarHBondContact O-N 3.46Å; E73-L77 WeakPolarHBondContact O-CB 2.9Å; E73-L77 WeakPolarHBondContact O-CD1 3.31Å; E73-L77 VanDerWaalsContact O-CG 3.29Å; E73-L77 WeakPolarHBondContact O-CG 3.48Å; E73-L77 PolarHBondContact O-N 3.02Å
74K50.7Low54.4Low107 Ų10780.4 Ų80.447%0.46544%0.437SS..Hα-helixtrans-68-38.7176.9-67.9179.2-164.6152.70111.8D71 L77 I78D71-K74 CarbonylContact O-C 3.59Å; D71-K74 PolarHBondContact O-N 2.89Å; D71-K74 VanDerWaalsContact O-N 3.11Å; D71-K74 IonicContact OD1-NZ 3.9Å; D71-K74 PolarHBondContact OD1-NZ 3.32Å; K74-L77 WeakPolarHBondContact O-CB 3.49Å; K74-L77 PolarHBondContact O-N 3.35Å; K74-I78 WeakPolarHBondContact O-CD1 3.43Å; K74-I78 WeakPolarHBondContact O-CG1 3.11Å; K74-I78 PolarHBondContact O-N 3.31Å
75L52.6Low53.7Low30 Ų3084.9 Ų84.916%0.15746%0.459CS..Hα-helixtrans-72.6-35.5177.6-72.7173.9000112.7M67 D71 T72 L77 I78 Q79 F87M67-L75 HydrophobicContact CB-CD1 3.95Å; M67-L75 HydrophobicContact CE-CD1 3.48Å; M67-L75 VanDerWaalsContact CE-CD1 3.48Å; M67-L75 HydrophobicContact CE-CD2 4.33Å; M67-L75 HydrophobicContact CE-CG 3.96Å; M67-L75 HydrophobicContact CG-CD1 3.93Å; D71-L75 WeakPolarHBondContact O-CB 3.34Å; D71-L75 WeakPolarHBondContact O-CG 3.37Å; D71-L75 PolarHBondContact O-N 3.47Å; T72-L75 PolarHBondContact O-N 2.92Å; L75-L77 VanDerWaalsContact C-N 3.31Å; L75-I78 HydrophobicContact CD2-CD1 4.46Å; L75-I78 PolarHBondContact O-N 2.88Å; L75-I78 VanDerWaalsContact O-N 3.15Å; L75-Q79 PolarHBondContact O-N 3.35Å; L75-F87 HydrophobicContact CD1-CD2 4.45Å; L75-F87 HydrophobicContact CD2-CD2 3.91Å; L75-F87 HydrophobicContact CD2-CE2 3.36Å; L75-F87 HydrophobicContact CD2-CZ 3.91Å
76H49.9Very low54Low168 Ų16881.2 Ų81.278%0.77844%0.44SS*.Hα-helixtrans-63.1-39.3168.2-98.340.2000111.3T72 I78 Q79T72-H76 VanDerWaalsContact O-CB 3.25Å; T72-H76 WeakPolarHBondContact O-CB 3.47Å; T72-H76 PolarHBondContact O-N 3.47Å; H76-I78 PolarHBondContact O-N 2.73Å; H76-Q79 PolarHBondContact O-N 3.08Å
77L45.9Very low54.9Low143 Ų14378.3 Ų78.375%0.74942%0.422SS*.Hα-helixtrans-62.7-28.4172.5-80.7158.3000112.6E73 K74 L75E73-L77 WeakPolarHBondContact O-CB 2.9Å; E73-L77 WeakPolarHBondContact O-CD1 3.31Å; E73-L77 VanDerWaalsContact O-CG 3.29Å; E73-L77 WeakPolarHBondContact O-CG 3.48Å; E73-L77 PolarHBondContact O-N 3.02Å; K74-L77 WeakPolarHBondContact O-CB 3.49Å; K74-L77 PolarHBondContact O-N 3.35Å; L75-L77 VanDerWaalsContact C-N 3.31Å
78I52.5Low56.4Low46 Ų4677.9 Ų77.924%0.23642%0.42CS..THydrogen-bonded Turntrans-86.2-4.8-177.6-65.1157.5000112.8K74 L75 H76 R80 I157K74-I78 WeakPolarHBondContact O-CD1 3.43Å; K74-I78 WeakPolarHBondContact O-CG1 3.11Å; K74-I78 PolarHBondContact O-N 3.31Å; L75-I78 HydrophobicContact CD2-CD1 4.46Å; L75-I78 PolarHBondContact O-N 2.88Å; L75-I78 VanDerWaalsContact O-N 3.15Å; H76-I78 PolarHBondContact O-N 2.73Å; I78-R80 HydrophobicContact CG2-CB 4.19Å; I78-R80 HydrophobicContact CG2-CG 4.22Å; I78-R80 WeakPolarHBondContact O-CG 3.34Å; I78-R80 PolarHBondContact O-N 2.82Å; I78-R80 VanDerWaalsContact O-N 3.09Å; I78-I157 HydrophobicContact CD1-CB 4.25Å; I78-I157 HydrophobicContact CD1-CG1 4.12Å; I78-I157 HydrophobicContact CD1-CG2 3.76Å
79Q50.6Low58.9Low175 Ų17573.1 Ų73.182%0.81839%0.394SS*.THydrogen-bonded Turntrans51.129.5178.4-62.1-170.8-400114.9L75 H76 P81L75-Q79 PolarHBondContact O-N 3.35Å; H76-Q79 PolarHBondContact O-N 3.08Å; Q79-P81 VanDerWaalsContact C-CD 3.49Å; Q79-P81 WeakPolarHBondContact O-CD 3.41Å
80R55.2Low61.7Low101 Ų10168.9 Ų68.938%0.38136%0.364SS..  trans-12670.1-176.8-70.9-174.5-169.9-156.28112.7I78 D82 L83I78-R80 HydrophobicContact CG2-CB 4.19Å; I78-R80 HydrophobicContact CG2-CG 4.22Å; I78-R80 WeakPolarHBondContact O-CG 3.34Å; I78-R80 PolarHBondContact O-N 2.82Å; I78-R80 VanDerWaalsContact O-N 3.09Å; R80-D82 WeakPolarHBondContact CA-OD1 3.31Å; R80-D82 WeakPolarHBondContact CB-OD1 3.38Å; R80-D82 PolarHBondContact O-N 3.03Å; R80-L83 HydrophobicContact CB-CD1 3.71Å; R80-L83 HydrophobicContact CB-CG 4.03Å; R80-L83 HydrophobicContact CG-CD1 4.37Å; R80-L83 PolarHBondContact O-N 2.88Å
81P52.1Low64.1Low123 Ų12367.3 Ų67.380%0.79934%0.342SS*.G310 helixtrans-63.6-21.7177.826.9-34000113.1Q79 L83 G84Q79-P81 VanDerWaalsContact C-CD 3.49Å; Q79-P81 WeakPolarHBondContact O-CD 3.41Å; P81-L83 PolarHBondContact O-N 2.81Å; P81-G84 PolarHBondContact O-N 3.4Å
82D51.6Low66.2Low97 Ų9765.1 Ų65.152%0.51933%0.331SS..G310 helixtrans-62.2-23.7174.955.6-38.3000113.5R80 G84R80-D82 WeakPolarHBondContact CA-OD1 3.31Å; R80-D82 WeakPolarHBondContact CB-OD1 3.38Å; R80-D82 PolarHBondContact O-N 3.03Å; D82-G84 VanDerWaalsContact C-N 3.31Å; D82-G84 PolarHBondContact O-N 3.01Å
83L59.6Low68.7Low1 Ų162.2 Ų62.21%0.00531%0.313CS..G310 helixtrans-80-4.2179.5-66.3174.5000114.6R80 P81 I85 T86 F87 G164 I169R80-L83 HydrophobicContact CB-CD1 3.71Å; R80-L83 HydrophobicContact CB-CG 4.03Å; R80-L83 HydrophobicContact CG-CD1 4.37Å; R80-L83 PolarHBondContact O-N 2.88Å; P81-L83 PolarHBondContact O-N 2.81Å; L83-I85 VanDerWaalsContact C-N 3.34Å; L83-I85 PolarHBondContact O-N 3.06Å; L83-T86 HydrophobicContact CD2-CG2 4.35Å; L83-T86 WeakPolarHBondContact O-CA 3.38Å; L83-T86 VanDerWaalsContact O-CB 3.31Å; L83-T86 WeakPolarHBondContact O-CB 3.49Å; L83-T86 PolarHBondContact O-N 3.43Å; L83-T86 VanDerWaalsContact O-N 3.1Å; L83-F87 HydrophobicContact CB-CD2 3.67Å; L83-F87 HydrophobicContact CB-CE2 3.43Å; L83-F87 VanDerWaalsContact CB-CE2 3.43Å; L83-F87 HydrophobicContact CB-CZ 4.5Å; L83-F87 HydrophobicContact CD1-CE2 3.9Å; L83-F87 HydrophobicContact CD1-CZ 4.34Å; L83-F87 HydrophobicContact CG-CE2 4.27Å; L83-F87 WeakPolarHBondContact O-CD2 3.35Å; L83-F87 PolarHBondContact O-N 3.45Å; L83-G164 WeakPolarHBondContact CD2-O 3.32Å; L83-I169 HydrophobicContact CD2-CD1 4.23Å
84G68.3Low71Confident23 Ų2358.8 Ų58.824%0.23730%0.295CS..Hα-helixtrans-57.6-43-175.900000113.7P81 D82 T88P81-G84 PolarHBondContact O-N 3.4Å; D82-G84 VanDerWaalsContact C-N 3.31Å; D82-G84 PolarHBondContact O-N 3.01Å; G84-T88 PolarHBondContact O-N 2.95Å; G84-T88 VanDerWaalsContact O-N 3.14Å; G84-T88 PolarHBondContact O-OG1 3.5Å
85I74.3Confident73.2Confident103 Ų10354.3 Ų54.353%0.52828%0.277SS..Hα-helixtrans-66.4-43.7176.1-65.5174.1000110.4T14 L83 F87 T88 K89T14-I85 HydrophobicContact CG2-CG1 4.36Å; T14-I85 HydrophobicContact CG2-CG2 4.11Å; L83-I85 VanDerWaalsContact C-N 3.34Å; L83-I85 PolarHBondContact O-N 3.06Å; I85-F87 PolarHBondContact O-N 2.88Å; I85-T88 WeakPolarHBondContact O-CB 3.34Å; I85-T88 PolarHBondContact O-N 3.43Å; I85-T88 VanDerWaalsContact O-N 3.12Å; I85-K89 PolarHBondContact O-N 3.48Å
86T79.1Confident75.4Confident6 Ų656.8 Ų56.84%0.03729%0.293CS..Hα-helixtrans-56.3-49.7177.7-610000111.7L83 T88 K89 L90 D166 I169L83-T86 HydrophobicContact CD2-CG2 4.35Å; L83-T86 WeakPolarHBondContact O-CA 3.38Å; L83-T86 VanDerWaalsContact O-CB 3.31Å; L83-T86 WeakPolarHBondContact O-CB 3.49Å; L83-T86 PolarHBondContact O-N 3.43Å; L83-T86 VanDerWaalsContact O-N 3.1Å; T86-T88 VanDerWaalsContact C-N 3.28Å; T86-T88 PolarHBondContact O-N 3.4Å; T86-K89 PolarHBondContact O-N 3.39Å; T86-L90 WeakPolarHBondContact O-CG 3.2Å; T86-L90 PolarHBondContact O-N 3.06Å; T86-D166 VanDerWaalsContact CG2-CA 3.42Å; T86-D166 HydrophobicContact CG2-CB 3.77Å; T86-D166 PolarHBondContact OG1-N 3.12Å; T86-I169 HydrophobicContact CG2-CD1 3.45Å; T86-I169 VanDerWaalsContact CG2-CD1 3.45Å
87F84.7Confident77.7Confident2 Ų253.7 Ų53.71%0.00928%0.279CS..Hα-helixtrans-63.9-33.2177-74.7-64.8000112.9M67 L75 L83 I85 L90 H91 I153 A156 I157M67-F87 HydrophobicContact CE-CD1 4.46Å; M67-F87 HydrophobicContact CG-CB 4.12Å; L75-F87 HydrophobicContact CD1-CD2 4.45Å; L75-F87 HydrophobicContact CD2-CD2 3.91Å; L75-F87 HydrophobicContact CD2-CE2 3.36Å; L75-F87 HydrophobicContact CD2-CZ 3.91Å; L83-F87 HydrophobicContact CB-CD2 3.67Å; L83-F87 HydrophobicContact CB-CE2 3.43Å; L83-F87 VanDerWaalsContact CB-CE2 3.43Å; L83-F87 HydrophobicContact CB-CZ 4.5Å; L83-F87 HydrophobicContact CD1-CE2 3.9Å; L83-F87 HydrophobicContact CD1-CZ 4.34Å; L83-F87 HydrophobicContact CG-CE2 4.27Å; L83-F87 WeakPolarHBondContact O-CD2 3.35Å; L83-F87 PolarHBondContact O-N 3.45Å; I85-F87 PolarHBondContact O-N 2.88Å; F87-L90 HydrophobicContact CD1-CD1 4.23Å; F87-L90 PolarHBondContact O-N 2.83Å; F87-H91 PolarHBondContact O-ND1 3.45Å; F87-I153 HydrophobicContact CD1-CD1 3.52Å; F87-I153 HydrophobicContact CE1-CD1 3.97Å; F87-A156 HydrophobicContact CE1-CB 3.79Å; F87-A156 HydrophobicContact CZ-CB 4.1Å; F87-I157 HydrophobicContact CZ-CG1 4.45Å
88T89.3Confident80.2Confident2 Ų247.6 Ų47.61%0.01225%0.246CC..Hα-helixtrans-64.9-40.5175.9-51.70000111L12 A43 V64 G84 I85 T86 L90 H91L12-T88 HydrophobicContact CD1-CG2 3.68Å; L12-T88 HydrophobicContact CD2-CG2 3.98Å; A43-T88 HydrophobicContact CB-CG2 4.39Å; V64-T88 HydrophobicContact CB-CG2 4.16Å; V64-T88 HydrophobicContact CG1-CG2 3.77Å; G84-T88 PolarHBondContact O-N 2.95Å; G84-T88 VanDerWaalsContact O-N 3.14Å; G84-T88 PolarHBondContact O-OG1 3.5Å; I85-T88 WeakPolarHBondContact O-CB 3.34Å; I85-T88 PolarHBondContact O-N 3.43Å; I85-T88 VanDerWaalsContact O-N 3.12Å; T86-T88 VanDerWaalsContact C-N 3.28Å; T86-T88 PolarHBondContact O-N 3.4Å; T88-L90 VanDerWaalsContact C-N 3.32Å; T88-L90 PolarHBondContact O-N 2.85Å; T88-H91 WeakPolarHBondContact O-CB 3.38Å; T88-H91 PolarHBondContact O-N 3.48Å
89K94.1Very high82.4Confident5 Ų552.4 Ų52.42%0.02227%0.265CS..Hα-helixtrans-61.5-38.3177179.5163.1171.1176.70112.6L12 I85 T86 H91 C92 F103 D105 S137 D166L12-K89 HydrophobicContact CD2-CB 3.88Å; I85-K89 PolarHBondContact O-N 3.48Å; T86-K89 PolarHBondContact O-N 3.39Å; K89-H91 PolarHBondContact O-N 3.21Å; K89-H91 VanDerWaalsContact O-N 3.15Å; K89-C92 PolarHBondContact O-N 3.28Å; K89-C92 VanDerWaalsContact O-N 3.15Å; K89-C92 PolarHBondContact O-SG 2.77Å; K89-F103 HydrophobicContact CD-CE1 3.97Å; K89-F103 HydrophobicContact CD-CZ 3.87Å; K89-F103 VanDerWaalsContact CE-CE1 3.42Å; K89-F103 HydrophobicContact CG-CE1 4.23Å; K89-F103 HydrophobicContact CG-CE2 3.91Å; K89-F103 HydrophobicContact CG-CZ 3.65Å; K89-D105 WeakPolarHBondContact CE-OD1 3.27Å; K89-D105 IonicContact NZ-OD1 2.76Å; K89-D105 PolarHBondContact NZ-OD1 2.86Å; K89-D105 IonicContact NZ-OD2 3.68Å; K89-D105 PolarHBondContact NZ-OD2 2.76Å; K89-S137 PolarHBondContact NZ-O 2.97Å; K89-D166 HydrophobicContact CD-CB 4.06Å; K89-D166 WeakPolarHBondContact CE-OD2 3.47Å; K89-D166 IonicContact NZ-OD1 3.47Å; K89-D166 IonicContact NZ-OD2 3.32Å; K89-D166 PolarHBondContact NZ-OD2 2.67Å
90L94.8Very high84.6Confident0 Ų045.5 Ų45.50%023%0.233CC..Hα-helixtrans-63.8-19.7-179.3-62.3178.7000113.9T86 F87 T88 C92 W93 Y149 I152 I153 I169 L170T86-L90 WeakPolarHBondContact O-CG 3.2Å; T86-L90 PolarHBondContact O-N 3.06Å; F87-L90 HydrophobicContact CD1-CD1 4.23Å; F87-L90 PolarHBondContact O-N 2.83Å; T88-L90 VanDerWaalsContact C-N 3.32Å; T88-L90 PolarHBondContact O-N 2.85Å; L90-C92 PolarHBondContact O-N 3.15Å; L90-W93 HydrophobicContact CD2-CE3 4.42Å; L90-W93 HydrophobicContact CD2-CZ3 4.07Å; L90-W93 PolarHBondContact O-N 3.24Å; L90-W93 VanDerWaalsContact O-N 3.14Å; L90-Y149 HydrophobicContact CB-CD2 4.47Å; L90-Y149 HydrophobicContact CB-CE2 4.31Å; L90-Y149 WeakPolarHBondContact O-CD2 3.4Å; L90-I152 HydrophobicContact CD1-CG2 3.67Å; L90-I152 HydrophobicContact CD2-CG2 3.82Å; L90-I152 HydrophobicContact CG-CG2 4.32Å; L90-I153 HydrophobicContact CB-CD1 4.27Å; L90-I153 HydrophobicContact CD1-CD1 3.78Å; L90-I169 HydrophobicContact CD1-CG2 4.23Å; L90-L170 HydrophobicContact CD2-CD2 3.81Å; L90-L170 HydrophobicContact CD2-CG 4.36Å
91H94.5Very high86.7Confident23 Ų2340.7 Ų40.711%0.10621%0.214CC..G310 helixtrans-60.9-14.6174.2-77.572.4000113.5M41 V64 F87 T88 K89 W93 K94 Y149M41-H91 HydrophobicContact SD-CB 4.43Å; V64-H91 HydrophobicContact CG1-CB 3.51Å; V64-H91 HydrophobicContact CG2-CB 4.37Å; F87-H91 PolarHBondContact O-ND1 3.45Å; T88-H91 WeakPolarHBondContact O-CB 3.38Å; T88-H91 PolarHBondContact O-N 3.48Å; K89-H91 PolarHBondContact O-N 3.21Å; K89-H91 VanDerWaalsContact O-N 3.15Å; H91-W93 PolarHBondContact O-N 2.86Å; H91-K94 WeakPolarHBondContact O-CB 3.25Å; H91-K94 PolarHBondContact O-N 2.72Å; H91-Y149 PolarHBondContact CE1-OH 2.85Å; H91-Y149 PolarHBondContact NE2-OH 3.14Å
92C97.3Very high88.9Confident0 Ų034.9 Ų34.90%018%0.176CC..G310 helixtrans-56.6-31.4172.4650000112.8V10 M41 K89 L90 K94 L95 F103 F142V10-C92 HydrophobicContact CG1-CB 4.03Å; M41-C92 HydrophobicContact CE-CB 3.71Å; M41-C92 HydrophobicContact SD-CB 3.99Å; K89-C92 PolarHBondContact O-N 3.28Å; K89-C92 VanDerWaalsContact O-N 3.15Å; K89-C92 PolarHBondContact O-SG 2.77Å; L90-C92 PolarHBondContact O-N 3.15Å; C92-K94 PolarHBondContact O-N 3.04Å; C92-L95 WeakPolarHBondContact O-CB 3.36Å; C92-L95 VanDerWaalsContact O-CG 3.32Å; C92-L95 WeakPolarHBondContact O-CG 3.36Å; C92-L95 PolarHBondContact O-N 3.22Å; C92-F103 HydrophobicContact CB-CD2 3.8Å; C92-F103 HydrophobicContact CB-CE2 3.99Å; C92-F142 HydrophobicContact CB-CE1 4.46Å; C92-F142 HydrophobicContact CB-CE2 4.11Å; C92-F142 HydrophobicContact CB-CZ 3.68Å; C92-F142 WeakPolarHBondContact O-CE2 3.36Å
93W97.9Very high91.2Very high0 Ų030.2 Ų30.20%015%0.152CC..G310 helixtrans-68.3-16.7174.4-88-86.3000113.6L90 H91 L95 E122 F140 F142 P144 S145 T148 I152 L170 F174L90-W93 HydrophobicContact CD2-CE3 4.42Å; L90-W93 HydrophobicContact CD2-CZ3 4.07Å; L90-W93 PolarHBondContact O-N 3.24Å; L90-W93 VanDerWaalsContact O-N 3.14Å; H91-W93 PolarHBondContact O-N 2.86Å; W93-L95 VanDerWaalsContact C-N 3.28Å; W93-L95 PolarHBondContact O-N 3.25Å; W93-E122 PolarHBondContact NE1-OE2 3.48Å; W93-F140 HydrophobicContact CH2-CD2 4.24Å; W93-F140 AromaticContact CH2-CE2 3.4Å; W93-F140 HydrophobicContact CH2-CE2 3.4Å; W93-F140 AromaticContact CH2-CZ 3.83Å; W93-F140 HydrophobicContact CH2-CZ 3.83Å; W93-F140 HydrophobicContact CZ2-CE2 4.01Å; W93-F140 AromaticContact CZ3-CE2 3.97Å; W93-F140 HydrophobicContact CZ3-CE2 3.97Å; W93-F140 HydrophobicContact CZ3-CZ 4.03Å; W93-F142 AromaticContact CD1-CD2 3.93Å; W93-F142 HydrophobicContact CD2-CD2 4.01Å; W93-F142 HydrophobicContact CD2-CE2 4.49Å; W93-F142 AromaticContact CE2-CD2 3.76Å; W93-F142 HydrophobicContact CG-CD2 4.13Å; W93-F142 HydrophobicContact CG-CE2 4.47Å; W93-F142 HydrophobicContact CZ2-CB 3.7Å; W93-F142 HydrophobicContact CZ2-CD2 4.24Å; W93-F142 HydrophobicContact CZ2-CG 4.15Å; W93-F142 AromaticContact NE1-CD2 3.7Å; W93-P144 CarbonylContact O-C 3.21Å; W93-P144 WeakPolarHBondContact O-CA 3.43Å; W93-S145 CarbonylContact O-C 3.59Å; W93-S145 PolarHBondContact O-N 3.39Å; W93-T148 HydrophobicContact CG-CG2 4.2Å; W93-I152 HydrophobicContact CD2-CD1 3.87Å; W93-I152 HydrophobicContact CE3-CD1 3.95Å; W93-I152 HydrophobicContact CG-CD1 4.45Å; W93-I152 HydrophobicContact CH2-CD1 4.31Å; W93-I152 HydrophobicContact CZ2-CD1 4.21Å; W93-I152 HydrophobicContact CZ3-CD1 4.18Å; W93-L170 HydrophobicContact CH2-CD1 4.41Å; W93-L170 HydrophobicContact CH2-CD2 3.45Å; W93-L170 VanDerWaalsContact CH2-CD2 3.45Å; W93-L170 HydrophobicContact CZ2-CD2 4.44Å; W93-L170 HydrophobicContact CZ3-CD2 3.69Å; W93-F174 HydrophobicContact CH2-CE2 4.04Å; W93-F174 AromaticContact CZ2-CE2 3.63Å; W93-F174 HydrophobicContact CZ2-CE2 3.63Å; W93-F174 AromaticContact CZ2-CZ 3.75Å; W93-F174 HydrophobicContact CZ2-CZ 3.75Å
94K96.4Very high93Very high79 Ų7930.2 Ų30.234%0.34315%0.152SC..G310 helixtrans-80.7-6.1175.2-60.8-177.968.9-178.70113.5H91 C92 T96 E146 Y149H91-K94 WeakPolarHBondContact O-CB 3.25Å; H91-K94 PolarHBondContact O-N 2.72Å; C92-K94 PolarHBondContact O-N 3.04Å; K94-T96 PolarHBondContact O-N 3.14Å; K94-E146 WeakPolarHBondContact CE-OE1 3.15Å; K94-Y149 HydrophobicContact CD-CD1 3.95Å; K94-Y149 HydrophobicContact CD-CD2 4.27Å; K94-Y149 HydrophobicContact CD-CE1 3.78Å; K94-Y149 HydrophobicContact CD-CE2 4.08Å; K94-Y149 HydrophobicContact CD-CG 4.2Å; K94-Y149 HydrophobicContact CG-CD1 3.85Å; K94-Y149 HydrophobicContact CG-CD2 3.89Å; K94-Y149 HydrophobicContact CG-CE1 4.2Å; K94-Y149 HydrophobicContact CG-CE2 4.21Å; K94-Y149 HydrophobicContact CG-CG 3.7Å
95L97.6Very high94.4Very high14 Ų1430.6 Ų30.67%0.07315%0.148CC..  trans-75.253-179.5-56.9177.7000112.5V10 M41 C92 W93 Q97 Y98 P144V10-L95 HydrophobicContact CG1-CD1 3.77Å; V10-L95 HydrophobicContact CG2-CD1 3.89Å; M41-L95 HydrophobicContact CG-CD1 4.42Å; M41-L95 HydrophobicContact SD-CD1 4.11Å; C92-L95 WeakPolarHBondContact O-CB 3.36Å; C92-L95 VanDerWaalsContact O-CG 3.32Å; C92-L95 WeakPolarHBondContact O-CG 3.36Å; C92-L95 PolarHBondContact O-N 3.22Å; W93-L95 VanDerWaalsContact C-N 3.28Å; W93-L95 PolarHBondContact O-N 3.25Å; L95-Q97 VanDerWaalsContact CA-OE1 3.3Å; L95-Q97 PolarHBondContact O-N 3.32Å; L95-Q97 PolarHBondContact O-OE1 3.35Å; L95-Y98 HydrophobicContact CB-CD2 3.87Å; L95-Y98 HydrophobicContact CB-CE2 4.19Å; L95-Y98 HydrophobicContact CD1-CE2 4.45Å; L95-Y98 PolarHBondContact O-N 3.09Å; L95-P144 VanDerWaalsContact C-CB 3.49Å; L95-P144 HydrophobicContact CB-CB 4.5Å; L95-P144 HydrophobicContact CB-CG 4.47Å; L95-P144 VanDerWaalsContact O-CB 3.25Å; L95-P144 WeakPolarHBondContact O-CB 3.38Å; L95-P144 WeakPolarHBondContact O-CG 3.43Å
96T97.8Very high95.3Very high81 Ų8125.8 Ų25.850%0.49712%0.124SC..THydrogen-bonded Turntrans-67.9-3.9-172.454.20000114.7K94 Y98 E146K94-T96 PolarHBondContact O-N 3.14Å; T96-Y98 PolarHBondContact O-N 2.9Å; T96-E146 HydrophobicContact CG2-CG 4.03Å
97Q97.7Very high95.8Very high104 Ų10426 Ų2649%0.48613%0.125SC..THydrogen-bonded Turntrans-67.2-17.3164.769.1-85.217.600113.2L95L95-Q97 VanDerWaalsContact CA-OE1 3.3Å; L95-Q97 PolarHBondContact O-N 3.32Å; L95-Q97 PolarHBondContact O-OE1 3.35Å
98Y98.4Very high96.2Very high14 Ų1426 Ų266%0.05513%0.125CC..  trans-106.6146.8174.6-50-61000110.9D6 A8 V37 H39 L95 T96 C101D6-Y98 CarbonylContact O-C 3.49Å; D6-Y98 WeakPolarHBondContact O-CA 3.43Å; A8-Y98 HydrophobicContact CB-CD1 3.92Å; A8-Y98 HydrophobicContact CB-CD2 3.84Å; A8-Y98 HydrophobicContact CB-CE1 3.83Å; A8-Y98 HydrophobicContact CB-CE2 3.74Å; A8-Y98 HydrophobicContact CB-CG 3.93Å; V37-Y98 HydrophobicContact CB-CE1 4.24Å; V37-Y98 HydrophobicContact CG1-CE1 4.13Å; V37-Y98 HydrophobicContact CG2-CE1 4.36Å; H39-Y98 HydrophobicContact CB-CE2 4.3Å; H39-Y98 AromaticContact ND1-CE2 3.34Å; H39-Y98 VanDerWaalsContact ND1-CE2 3.34Å; H39-Y98 WeakPolarHBondContact ND1-CE2 3.25Å; H39-Y98 AromaticContact ND1-CZ 3.55Å; H39-Y98 PolarHBondContact ND1-OH 2.97Å; L95-Y98 HydrophobicContact CB-CD2 3.87Å; L95-Y98 HydrophobicContact CB-CE2 4.19Å; L95-Y98 HydrophobicContact CD1-CE2 4.45Å; L95-Y98 PolarHBondContact O-N 3.09Å; T96-Y98 PolarHBondContact O-N 2.9Å; Y98-C101 VanDerWaalsContact CB-SG 3.56Å
99K98.2Very high96.1Very high148 Ų14827.6 Ų27.664%0.64313%0.133SC*.SBendtrans-84.2-31.1173.5-66.3-177.9-169.5149.60112.5D6D6-K99 HydrophobicContact CB-CD 4.32Å; D6-K99 HydrophobicContact CB-CG 4.22Å; D6-K99 PolarHBondContact O-N 3.38Å; D6-K99 WeakPolarHBondContact OD2-CD 3.37Å; D6-K99 WeakPolarHBondContact OD2-CE 3.36Å; D6-K99 IonicContact OD2-NZ 3.75Å; D6-K99 PolarHBondContact OD2-NZ 3.48Å
100K98.5Very high96Very high30 Ų3027.6 Ų27.613%0.1313%0.133CC..EExtended strand (participates in β ladder)trans-154.4139.7-178.1-176169.1-69.7-167.90111Q7 A8 F118 Y120 V141 E143Q7-K100 VanDerWaalsContact CA-O 3.26Å; Q7-K100 WeakPolarHBondContact CA-O 3.5Å; Q7-K100 HydrophobicContact CG-CB 4.36Å; A8-K100 PolarHBondContact N-O 3.45Å; K100-F118 WeakPolarHBondContact CD-O 3.42Å; K100-F118 HydrophobicContact CG-CD1 4.37Å; K100-Y120 PolarHBondContact NZ-O 3.34Å; K100-V141 HydrophobicContact CD-CG1 4.06Å; K100-V141 HydrophobicContact CG-CG1 4.12Å; K100-E143 WeakPolarHBondContact CE-OE1 3.22Å; K100-E143 IonicContact NZ-OE1 3.08Å
101C98.8Very high95.8Very high0 Ų031.3 Ų31.30%015%0.152CC..EExtended strand (participates in β ladder)trans-133.3155.7-177.7-69.40000111.2A8 V10 Y98 V141 F142 P144A8-C101 CarbonylContact O-C 3.47Å; A8-C101 WeakPolarHBondContact O-CA 3.4Å; V10-C101 HydrophobicContact CG2-CB 3.82Å; Y98-C101 VanDerWaalsContact CB-SG 3.56Å; C101-V141 WeakPolarHBondContact O-CA 3.49Å; C101-F142 HydrophobicContact CB-CD1 3.84Å; C101-F142 HydrophobicContact CB-CD2 4.49Å; C101-F142 HydrophobicContact CB-CE1 3.19Å; C101-F142 HydrophobicContact CB-CE2 3.95Å; C101-F142 HydrophobicContact CB-CG 4.45Å; C101-F142 HydrophobicContact CB-CZ 3.26Å; C101-F142 PolarHBondContact N-O 3.41Å; C101-F142 PolarHBondContact O-N 3.44Å; C101-P144 HydrophobicContact CB-CG 4.43Å
102V98.9Very high95.7Very high0 Ų033.7 Ų33.70%016%0.163CC..EExtended strand (participates in β ladder)trans-114.8113.7164.9-174.60000107.3A8 W9 V10 V104 L117 F118 V139 F140 V141A8-V102 PolarHBondContact O-N 3.1Å; W9-V102 WeakPolarHBondContact CA-O 3.3Å; W9-V102 HydrophobicContact CD2-CB 4.35Å; W9-V102 HydrophobicContact CE3-CB 3.66Å; W9-V102 HydrophobicContact CE3-CG1 3.76Å; W9-V102 HydrophobicContact CE3-CG2 4.5Å; W9-V102 HydrophobicContact CH2-CB 4.44Å; W9-V102 HydrophobicContact CH2-CG1 4.26Å; W9-V102 HydrophobicContact CZ3-CB 3.73Å; W9-V102 HydrophobicContact CZ3-CG1 3.41Å; W9-V102 VanDerWaalsContact CZ3-CG1 3.41Å; W9-V102 HydrophobicContact CZ3-CG2 4.32Å; V10-V102 PolarHBondContact N-O 2.94Å; V102-V104 HydrophobicContact CG1-CG2 4.12Å; V102-L117 HydrophobicContact CG1-CD1 4Å; V102-L117 HydrophobicContact CG2-CB 3.87Å; V102-F118 HydrophobicContact CB-CE2 4.43Å; V102-F118 HydrophobicContact CB-CZ 4.15Å; V102-F118 HydrophobicContact CG2-CD1 4.14Å; V102-F118 HydrophobicContact CG2-CD2 3.96Å; V102-F118 HydrophobicContact CG2-CE1 3.87Å; V102-F118 HydrophobicContact CG2-CE2 3.66Å; V102-F118 HydrophobicContact CG2-CG 4.2Å; V102-F118 HydrophobicContact CG2-CZ 3.63Å; V102-V139 HydrophobicContact CG1-CG1 4.27Å; V102-F140 CarbonylContact C-O 3.59Å; V102-F140 WeakPolarHBondContact CA-O 3.34Å; V102-V141 HydrophobicContact CG2-CG2 4.22Å
103F98.8Very high95.7Very high0 Ų036.4 Ų36.40%018%0.178CC..EExtended strand (participates in β ladder)trans-78.5135.6172.3-163.9-76.3000109.2V10 L12 M41 K89 C92 D105 V139 F140 F142V10-F103 HydrophobicContact CB-CD2 4.28Å; V10-F103 HydrophobicContact CG1-CD2 4.01Å; V10-F103 HydrophobicContact CG1-CE2 4.17Å; V10-F103 CarbonylContact O-C 2.98Å; V10-F103 WeakPolarHBondContact O-CA 3.46Å; L12-F103 HydrophobicContact CB-CZ 3.95Å; M41-F103 HydrophobicContact CE-CE2 3.83Å; K89-F103 HydrophobicContact CD-CE1 3.97Å; K89-F103 HydrophobicContact CD-CZ 3.87Å; K89-F103 VanDerWaalsContact CE-CE1 3.42Å; K89-F103 HydrophobicContact CG-CE1 4.23Å; K89-F103 HydrophobicContact CG-CE2 3.91Å; K89-F103 HydrophobicContact CG-CZ 3.65Å; C92-F103 HydrophobicContact CB-CD2 3.8Å; C92-F103 HydrophobicContact CB-CE2 3.99Å; F103-D105 WeakPolarHBondContact CE1-OD1 3.21Å; F103-V139 WeakPolarHBondContact O-CA 3.33Å; F103-F140 HydrophobicContact CB-CD1 3.89Å; F103-F140 HydrophobicContact CB-CD2 4Å; F103-F140 HydrophobicContact CB-CE1 3.46Å; F103-F140 VanDerWaalsContact CB-CE1 3.46Å; F103-F140 HydrophobicContact CB-CE2 3.58Å; F103-F140 HydrophobicContact CB-CG 4.15Å; F103-F140 HydrophobicContact CB-CZ 3.29Å; F103-F140 HydrophobicContact CD1-CD1 4.46Å; F103-F140 AromaticContact CD1-CE1 3.72Å; F103-F140 HydrophobicContact CD1-CE1 3.72Å; F103-F140 HydrophobicContact CD1-CZ 4.11Å; F103-F140 HydrophobicContact CD2-CE1 4.42Å; F103-F140 AromaticContact CD2-CZ 3.97Å; F103-F140 HydrophobicContact CD2-CZ 3.97Å; F103-F140 HydrophobicContact CG-CD1 4.41Å; F103-F140 AromaticContact CG-CE1 3.59Å; F103-F140 HydrophobicContact CG-CE1 3.59Å; F103-F140 HydrophobicContact CG-CE2 4.27Å; F103-F140 AromaticContact CG-CZ 3.5Å; F103-F140 HydrophobicContact CG-CZ 3.5Å; F103-F140 PolarHBondContact N-O 3.24Å; F103-F140 PolarHBondContact O-N 3.23Å; F103-F140 VanDerWaalsContact O-N 3.12Å; F103-F142 HydrophobicContact CB-CD1 4.19Å; F103-F142 HydrophobicContact CB-CE1 3.87Å
104V98.5Very high95.7Very high1 Ų136.4 Ų36.41%0.00618%0.178CC..EExtended strand (participates in β ladder)trans-137.6120175.1-177.40000108.7W9 V10 T11 L25 V102 C108 G138 V139W9-V104 HydrophobicContact CE3-CG2 3.64Å; W9-V104 HydrophobicContact CZ3-CG2 3.78Å; V10-V104 PolarHBondContact O-N 2.99Å; T11-V104 WeakPolarHBondContact CA-O 3.27Å; T11-V104 WeakPolarHBondContact CB-O 3.35Å; T11-V104 PolarHBondContact OG1-O 2.77Å; L25-V104 HydrophobicContact CD1-CB 4.35Å; L25-V104 HydrophobicContact CD1-CG1 3.61Å; L25-V104 HydrophobicContact CD2-CB 4.04Å; L25-V104 HydrophobicContact CD2-CG1 3.79Å; L25-V104 HydrophobicContact CG-CG1 4.36Å; V102-V104 HydrophobicContact CG1-CG2 4.12Å; V104-C108 HydrophobicContact CG1-CB 3.39Å; V104-G138 CarbonylContact C-O 3.59Å; V104-G138 WeakPolarHBondContact CA-O 3.49Å; V104-V139 HydrophobicContact CG1-CG2 4.31Å; V104-V139 HydrophobicContact CG2-CG1 4.36Å
105D96.7Very high95.8Very high30 Ų3033.4 Ų33.416%0.1617%0.166CC..  trans-59.3147176.4-81.4-20.3000110.8K89 F103 D107 C108 G138K89-D105 WeakPolarHBondContact CE-OD1 3.27Å; K89-D105 IonicContact NZ-OD1 2.76Å; K89-D105 PolarHBondContact NZ-OD1 2.86Å; K89-D105 IonicContact NZ-OD2 3.68Å; K89-D105 PolarHBondContact NZ-OD2 2.76Å; F103-D105 WeakPolarHBondContact CE1-OD1 3.21Å; D105-D107 WeakPolarHBondContact CB-OD1 3.2Å; D105-D107 PolarHBondContact O-N 3.28Å; D105-D107 VanDerWaalsContact O-N 3.1Å; D105-C108 VanDerWaalsContact O-CB 3.29Å; D105-C108 WeakPolarHBondContact O-CB 3.19Å; D105-C108 PolarHBondContact O-N 2.72Å; D105-G138 PolarHBondContact N-O 2.87Å; D105-G138 VanDerWaalsContact OD2-CA 3.27Å; D105-G138 WeakPolarHBondContact OD2-CA 3.48Å
106A93Very high95.8Very high3 Ų335.3 Ų35.33%0.02517%0.174CC..THydrogen-bonded Turntrans-67.8-9.8-175.300000113.6T11 V13 Y18 G21 A22 C108T11-A106 PolarHBondContact OG1-N 2.61Å; V13-A106 HydrophobicContact CG1-CB 4.28Å; Y18-A106 HydrophobicContact CD1-CB 4.13Å; G21-A106 CarbonylContact C-O 3.47Å; G21-A106 WeakPolarHBondContact CA-O 3.38Å; A22-A106 HydrophobicContact CB-CB 4.07Å; A106-C108 VanDerWaalsContact C-N 3.33Å
107D90.5Very high95.9Very high11 Ų1131.5 Ų31.56%0.05915%0.151CC..THydrogen-bonded Turntrans-9623.4169.759.42.1000113.1D105 H215 F216 K221 W223D105-D107 WeakPolarHBondContact CB-OD1 3.2Å; D105-D107 PolarHBondContact O-N 3.28Å; D105-D107 VanDerWaalsContact O-N 3.1Å; D107-H215 IonicContact OD1-CD2 3.82Å; D107-H215 PolarHBondContact OD1-CD2 2.99Å; D107-H215 IonicContact OD1-NE2 2.54Å; D107-H215 PolarHBondContact OD1-NE2 2.92Å; D107-H215 IonicContact OD2-NE2 3.88Å; D107-F216 WeakPolarHBondContact O-CB 3.29Å; D107-F216 WeakPolarHBondContact O-CD2 3.35Å; D107-F216 PolarHBondContact O-N 3.26Å; D107-K221 HydrophobicContact CB-CD 3.95Å; D107-K221 WeakPolarHBondContact OD2-CE 3.47Å; D107-K221 IonicContact OD2-NZ 2.73Å; D107-K221 PolarHBondContact OD2-NZ 3.47Å; D107-W223 HydrophobicContact CB-CH2 3.79Å; D107-W223 HydrophobicContact CB-CZ3 4.28Å
108C91.8Very high95.9Very high2 Ų226.7 Ų26.71%0.01413%0.128CC..EExtended strand (participates in β ladder)trans-103.7160.3167.2-65.40000112.4V104 D105 A106 I213 V214V104-C108 HydrophobicContact CG1-CB 3.39Å; D105-C108 VanDerWaalsContact O-CB 3.29Å; D105-C108 WeakPolarHBondContact O-CB 3.19Å; D105-C108 PolarHBondContact O-N 2.72Å; A106-C108 VanDerWaalsContact C-N 3.33Å; C108-I213 HydrophobicContact CB-CG2 4.04Å; C108-V214 CarbonylContact C-O 3.56Å; C108-V214 WeakPolarHBondContact CA-O 3.48Å
109M88.4Confident95.8Very high34 Ų3432.2 Ų32.217%0.16716%0.159CC..EExtended strand (participates in β ladder)trans-139133.3171.3178.7173.669.700110.9V24 I111 I213 V214 F216 F241V24-M109 HydrophobicContact CG1-CB 4.43Å; V24-M109 HydrophobicContact CG1-CG 4.17Å; V24-M109 HydrophobicContact CG1-SD 3.96Å; M109-I111 HydrophobicContact CE-CD1 3.5Å; M109-I111 VanDerWaalsContact CE-CD1 3.5Å; M109-I111 HydrophobicContact CG-CD1 4.18Å; M109-I111 HydrophobicContact SD-CD1 4.47Å; M109-I213 WeakPolarHBondContact O-CA 3.33Å; M109-V214 PolarHBondContact N-O 3.47Å; M109-V214 PolarHBondContact O-N 3.35Å; M109-F216 HydrophobicContact CB-CE2 3.78Å; M109-F216 HydrophobicContact CB-CZ 4.43Å; M109-F216 HydrophobicContact CE-CE2 4.41Å; M109-F216 HydrophobicContact CE-CZ 3.98Å; M109-F241 HydrophobicContact CE-CZ 3.81Å
110V92.3Very high95.8Very high5 Ų527.8 Ų27.83%0.0314%0.138CC..EExtended strand (participates in β ladder)trans-93117.3-178.6-176.60000110.3L25 S28 L29 T32 Q112 K212 I213L25-V110 HydrophobicContact CD1-CG2 3.86Å; S28-V110 VanDerWaalsContact CB-O 3.3Å; S28-V110 WeakPolarHBondContact CB-O 3.47Å; S28-V110 WeakPolarHBondContact OG-CB 3.29Å; S28-V110 PolarHBondContact OG-N 3.04Å; L29-V110 HydrophobicContact CD2-CB 4.25Å; L29-V110 HydrophobicContact CD2-CG1 4.25Å; L29-V110 HydrophobicContact CD2-CG2 3.73Å; L29-V110 HydrophobicContact CG-CB 4.36Å; L29-V110 HydrophobicContact CG-CG2 3.88Å; T32-V110 HydrophobicContact CG2-CG1 4.2Å; V110-Q112 WeakPolarHBondContact CG1-O 3.19Å; V110-K212 CarbonylContact C-O 3.55Å; V110-I213 HydrophobicContact CG1-CG1 4.45Å; V110-I213 HydrophobicContact CG2-CD1 4.32Å; V110-I213 HydrophobicContact CG2-CG1 4.15Å; V110-I213 HydrophobicContact CG2-CG2 4.43Å
111I89.3Confident95.8Very high78 Ų7828.3 Ų28.340%0.415%0.145SC..  trans-90.3-39.4-177.7-50.1-57.1000111.3T32 M109 K212 V214T32-I111 WeakPolarHBondContact CG2-O 3.39Å; M109-I111 HydrophobicContact CE-CD1 3.5Å; M109-I111 VanDerWaalsContact CE-CD1 3.5Å; M109-I111 HydrophobicContact CG-CD1 4.18Å; M109-I111 HydrophobicContact SD-CD1 4.47Å; I111-K212 PolarHBondContact N-O 2.95Å; I111-V214 HydrophobicContact CD1-CG2 4.08Å; I111-V214 HydrophobicContact CG1-CG2 3.83Å
112Q93.1Very high95.8Very high73 Ų7330.2 Ų30.234%0.34115%0.154SC..SBendtrans-129.1155-177.5-55.4-172.853.700110.4V110 S114 K209 V211 K212V110-Q112 WeakPolarHBondContact CG1-O 3.19Å; Q112-S114 PolarHBondContact O-N 3.48Å; Q112-S114 PolarHBondContact O-OG 2.93Å; Q112-S114 VanDerWaalsContact O-OG 3.06Å; Q112-K209 PolarHBondContact NE2-O 2.95Å; Q112-V211 PolarHBondContact NE2-O 3.38Å; Q112-K212 HydrophobicContact CB-CB 4.36Å; Q112-K212 HydrophobicContact CB-CG 4.08Å; Q112-K212 PolarHBondContact N-O 3.23Å
113N97.5Very high95.8Very high57 Ų5730.3 Ų30.331%0.30516%0.155SC..  trans-57.4134.3175.2-169.7-80.7000109.2T32 K33 T34 D115T32-N113 WeakPolarHBondContact O-CB 3.21Å; T32-N113 PolarHBondContact O-ND2 3.38Å; K33-N113 PolarHBondContact O-ND2 2.78Å; T34-N113 PolarHBondContact N-ND2 3.36Å; N113-D115 WeakPolarHBondContact OD1-CB 3.28Å; N113-D115 PolarHBondContact OD1-N 3.19Å; N113-D115 VanDerWaalsContact OD1-N 3.08Å
114S98Very high95.8Very high1 Ų130.3 Ų30.31%0.00716%0.155CC..  trans-132.827.1-174.8-57.50000111.2W9 Q112 E116 L117W9-S114 WeakPolarHBondContact CH2-O 3.47Å; Q112-S114 PolarHBondContact O-N 3.48Å; Q112-S114 PolarHBondContact O-OG 2.93Å; Q112-S114 VanDerWaalsContact O-OG 3.06Å; S114-E116 VanDerWaalsContact C-OE2 3.3Å; S114-E116 WeakPolarHBondContact CA-OE1 3.47Å; S114-E116 WeakPolarHBondContact CA-OE2 3.34Å; S114-E116 PolarHBondContact O-N 2.59Å; S114-L117 WeakPolarHBondContact O-CB 3.47Å; S114-L117 WeakPolarHBondContact O-CG 3.3Å; S114-L117 PolarHBondContact O-N 3.49Å
115D98.2Very high95.8Very high16 Ų1630.3 Ų30.39%0.08615%0.154CC..G310 helixtrans-65-17.7-177.9-81.511.6000112.5T34 R35 R36 N113 L117 F118T34-D115 WeakPolarHBondContact CA-OD1 3.47Å; T34-D115 VanDerWaalsContact CB-OD1 3.25Å; T34-D115 WeakPolarHBondContact CB-OD1 3.48Å; T34-D115 PolarHBondContact OG1-OD1 3.39Å; T34-D115 PolarHBondContact OG1-OD2 3.31Å; R35-D115 PolarHBondContact N-OD2 3.23Å; R36-D115 IonicContact NH1-OD2 3.54Å; R36-D115 PolarHBondContact NH1-OD2 3.01Å; R36-D115 VanDerWaalsContact NH1-OD2 3.08Å; N113-D115 WeakPolarHBondContact OD1-CB 3.28Å; N113-D115 PolarHBondContact OD1-N 3.19Å; N113-D115 VanDerWaalsContact OD1-N 3.08Å; D115-L117 PolarHBondContact O-N 2.62Å; D115-F118 WeakPolarHBondContact O-CD2 3.34Å; D115-F118 PolarHBondContact O-N 2.89Å
116E97.8Very high95.8Very high54 Ų5428.9 Ų28.925%0.25215%0.147SC..G310 helixtrans-64.5-15.5170.566.3-79.3-176.100113.5S114 F118 D119 Y190 K212S114-E116 VanDerWaalsContact C-OE2 3.3Å; S114-E116 WeakPolarHBondContact CA-OE1 3.47Å; S114-E116 WeakPolarHBondContact CA-OE2 3.34Å; S114-E116 PolarHBondContact O-N 2.59Å; E116-F118 PolarHBondContact O-N 3.36Å; E116-D119 WeakPolarHBondContact O-CB 3.49Å; E116-D119 PolarHBondContact O-N 3.48Å; E116-Y190 WeakPolarHBondContact CG-OH 3.34Å; E116-Y190 WeakPolarHBondContact OE1-CE1 3.11Å; E116-Y190 PolarHBondContact OE1-OH 2.78Å; E116-K212 IonicContact OE1-NZ 3.45Å; E116-K212 PolarHBondContact OE1-NZ 3.31Å
117L98.6Very high95.9Very high0 Ų030.7 Ų30.70%016%0.159CC..G310 helixtrans-60.8-25.3172.1-72.1-176.1000112.3W9 V102 S114 D115 D119 Y120 V139 V141 L186 Y190 I213W9-L117 HydrophobicContact CH2-CD1 3.96Å; W9-L117 HydrophobicContact CZ3-CD1 4.2Å; V102-L117 HydrophobicContact CG1-CD1 4Å; V102-L117 HydrophobicContact CG2-CB 3.87Å; S114-L117 WeakPolarHBondContact O-CB 3.47Å; S114-L117 WeakPolarHBondContact O-CG 3.3Å; S114-L117 PolarHBondContact O-N 3.49Å; D115-L117 PolarHBondContact O-N 2.62Å; L117-D119 PolarHBondContact O-N 2.97Å; L117-Y120 HydrophobicContact CD2-CD2 4.34Å; L117-Y120 HydrophobicContact CD2-CE2 4.33Å; L117-Y120 WeakPolarHBondContact O-CB 3.4Å; L117-Y120 PolarHBondContact O-N 2.84Å; L117-V139 HydrophobicContact CD1-CG1 4.39Å; L117-V141 HydrophobicContact CB-CG2 4.3Å; L117-V141 WeakPolarHBondContact O-CG2 3.25Å; L117-L186 HydrophobicContact CD2-CD1 3.93Å; L117-L186 HydrophobicContact CD2-CD2 3.64Å; L117-L186 HydrophobicContact CD2-CG 4.35Å; L117-Y190 HydrophobicContact CD1-CD1 3.84Å; L117-Y190 HydrophobicContact CD1-CE1 4.45Å; L117-Y190 HydrophobicContact CD1-CG 4.36Å; L117-Y190 HydrophobicContact CD2-CD1 3.64Å; L117-Y190 HydrophobicContact CD2-CD2 4.07Å; L117-Y190 HydrophobicContact CD2-CE1 3.84Å; L117-Y190 HydrophobicContact CD2-CE2 4.27Å; L117-Y190 HydrophobicContact CD2-CG 3.76Å; L117-Y190 HydrophobicContact CG-CD1 3.82Å; L117-Y190 HydrophobicContact CG-CE1 3.97Å; L117-Y190 HydrophobicContact CG-CG 4.4Å; L117-I213 HydrophobicContact CD1-CD1 4.14Å
118F98.3Very high96.1Very high3 Ų331.3 Ų31.31%0.01316%0.162CC..G310 helixtrans-71.9-9.3176.8-68.1-92.7000113.5Q7 A8 W9 R36 K100 V102 D115 E116 Y120Q7-F118 HydrophobicContact CB-CD1 3.74Å; Q7-F118 HydrophobicContact CB-CE1 3.81Å; Q7-F118 HydrophobicContact CG-CD1 3.99Å; A8-F118 WeakPolarHBondContact O-CE1 3.14Å; A8-F118 WeakPolarHBondContact O-CZ 3.39Å; W9-F118 HydrophobicContact CD2-CE2 4.11Å; W9-F118 HydrophobicContact CD2-CZ 4.16Å; W9-F118 AromaticContact CE2-CE2 3.54Å; W9-F118 HydrophobicContact CG-CZ 4.22Å; W9-F118 HydrophobicContact CH2-CE2 4.4Å; W9-F118 AromaticContact CZ2-CE2 3.71Å; W9-F118 HydrophobicContact CZ2-CE2 3.71Å; W9-F118 AromaticContact NE1-CE2 3.63Å; W9-F118 AromaticContact NE1-CZ 3.95Å; R36-F118 HydrophobicContact CB-CE2 4.16Å; R36-F118 HydrophobicContact CB-CZ 3.91Å; R36-F118 HydrophobicContact CG-CD2 3.92Å; R36-F118 HydrophobicContact CG-CE1 4.22Å; R36-F118 HydrophobicContact CG-CE2 3.52Å; R36-F118 HydrophobicContact CG-CG 4.44Å; R36-F118 HydrophobicContact CG-CZ 3.67Å; K100-F118 WeakPolarHBondContact CD-O 3.42Å; K100-F118 HydrophobicContact CG-CD1 4.37Å; V102-F118 HydrophobicContact CB-CE2 4.43Å; V102-F118 HydrophobicContact CB-CZ 4.15Å; V102-F118 HydrophobicContact CG2-CD1 4.14Å; V102-F118 HydrophobicContact CG2-CD2 3.96Å; V102-F118 HydrophobicContact CG2-CE1 3.87Å; V102-F118 HydrophobicContact CG2-CE2 3.66Å; V102-F118 HydrophobicContact CG2-CG 4.2Å; V102-F118 HydrophobicContact CG2-CZ 3.63Å; D115-F118 WeakPolarHBondContact O-CD2 3.34Å; D115-F118 PolarHBondContact O-N 2.89Å; E116-F118 PolarHBondContact O-N 3.36Å; F118-Y120 VanDerWaalsContact C-N 3.34Å
119D97.4Very high96Very high131 Ų13133.9 Ų33.970%0.70118%0.175SC*.G310 helixtrans-84.9-11.5174.9-61-33.6000112.4E116 L117E116-D119 WeakPolarHBondContact O-CB 3.49Å; E116-D119 PolarHBondContact O-N 3.48Å; L117-D119 PolarHBondContact O-N 2.97Å
120Y98.2Very high96.1Very high54 Ų5435.2 Ų35.221%0.21220%0.197CC..SBendtrans-79.9149179.5-77.3-102.5000112.6K100 L117 F118 T183 L186K100-Y120 PolarHBondContact NZ-O 3.34Å; L117-Y120 HydrophobicContact CD2-CD2 4.34Å; L117-Y120 HydrophobicContact CD2-CE2 4.33Å; L117-Y120 WeakPolarHBondContact O-CB 3.4Å; L117-Y120 PolarHBondContact O-N 2.84Å; F118-Y120 VanDerWaalsContact C-N 3.34Å; Y120-T183 WeakPolarHBondContact CD1-O 3.44Å; Y120-L186 HydrophobicContact CD1-CD2 3.41Å; Y120-L186 VanDerWaalsContact CD1-CD2 3.41Å; Y120-L186 HydrophobicContact CD2-CD2 4.01Å; Y120-L186 HydrophobicContact CE1-CD2 3.54Å; Y120-L186 HydrophobicContact CE2-CD2 4.09Å; Y120-L186 HydrophobicContact CG-CD2 3.68Å
121P97.8Very high96.1Very high42 Ų4242.9 Ų42.927%0.27323%0.225SC..PPolyproline II helixtrans-77.6162.8176.832.4-36.5000113.4L123 S124 T183 H184P121-L123 CarbonylContact O-C 3.43Å; P121-S124 WeakPolarHBondContact O-CB 3.48Å; P121-S124 PolarHBondContact O-N 3.34Å; P121-S124 PolarHBondContact O-OG 2.86Å; P121-T183 WeakPolarHBondContact CD-O 3.37Å; P121-H184 WeakPolarHBondContact CG-CE1 3.3Å; P121-H184 WeakPolarHBondContact CG-NE2 3.36Å
122E98.3Very high96.3Very high40 Ų4042.9 Ų42.919%0.18723%0.231CC..SBendtrans-75.9137.2166.5178.9177.390.700111.2W93 F142 E143 F174 H184W93-E122 PolarHBondContact NE1-OE2 3.48Å; E122-F142 HydrophobicContact CG-CB 4.44Å; E122-F142 WeakPolarHBondContact OE2-CB 3.33Å; E122-E143 HydrophobicContact CB-CB 4.34Å; E122-E143 HydrophobicContact CB-CG 4.08Å; E122-E143 PolarHBondContact OE2-N 2.79Å; E122-F174 HydrophobicContact CG-CE1 4.14Å; E122-F174 HydrophobicContact CG-CZ 4.37Å; E122-H184 PolarHBondContact O-CE1 3.06Å
123L98.4Very high96.4Very high2 Ų243.7 Ų43.71%0.0124%0.237CC..SBendcis-91.5129.5-15-180-76.4000107.1P121 A125 F135 F140 V141 F174 H184P121-L123 CarbonylContact O-C 3.43Å; L123-A125 HydrophobicContact CD1-CB 3.86Å; L123-F135 HydrophobicContact CD1-CD1 4.07Å; L123-F135 HydrophobicContact CD1-CD2 4.22Å; L123-F135 HydrophobicContact CD1-CE1 3.79Å; L123-F135 HydrophobicContact CD1-CE2 3.97Å; L123-F135 HydrophobicContact CD1-CG 4.27Å; L123-F135 HydrophobicContact CD1-CZ 3.72Å; L123-F135 HydrophobicContact CG-CZ 4.29Å; L123-F140 HydrophobicContact CD2-CB 3.79Å; L123-F140 HydrophobicContact CD2-CD2 3.63Å; L123-F140 HydrophobicContact CD2-CG 4Å; L123-V141 WeakPolarHBondContact CD2-O 3.38Å; L123-F174 HydrophobicContact CB-CB 4.22Å; L123-F174 HydrophobicContact CB-CD1 3.62Å; L123-F174 HydrophobicContact CB-CD2 4.1Å; L123-F174 HydrophobicContact CB-CE1 3.9Å; L123-F174 HydrophobicContact CB-CE2 4.35Å; L123-F174 HydrophobicContact CB-CG 3.73Å; L123-F174 HydrophobicContact CB-CZ 4.25Å; L123-F174 HydrophobicContact CD2-CE2 4.48Å; L123-F174 HydrophobicContact CG-CB 4.27Å; L123-F174 HydrophobicContact CG-CD1 4.28Å; L123-F174 HydrophobicContact CG-CD2 3.82Å; L123-F174 HydrophobicContact CG-CE2 4.17Å; L123-F174 HydrophobicContact CG-CG 3.88Å; L123-H184 PolarHBondContact O-ND1 3.49Å
124S98.7Very high96.4Very high0 Ų042.5 Ų42.50%023%0.231CC..EExtended strand (participates in β ladder)trans-118.6127.2171.7-61.40000111.3P121 F140 V141 T183 H184P121-S124 WeakPolarHBondContact O-CB 3.48Å; P121-S124 PolarHBondContact O-N 3.34Å; P121-S124 PolarHBondContact O-OG 2.86Å; S124-F140 CarbonylContact O-C 3.27Å; S124-F140 WeakPolarHBondContact O-CA 3.48Å; S124-V141 PolarHBondContact N-O 2.88Å; S124-V141 PolarHBondContact O-N 2.96Å; S124-T183 PolarHBondContact OG-O 3.23Å; S124-H184 VanDerWaalsContact CA-O 3.24Å; S124-H184 WeakPolarHBondContact CA-O 3.21Å; S124-H184 WeakPolarHBondContact OG-CA 3.43Å
125A98.7Very high96.4Very high0 Ų042.5 Ų42.50%023%0.23CC..EExtended strand (participates in β ladder)trans-150.5164.4-177.700000110.7L123 F135 F140 W177 H184 L186L123-A125 HydrophobicContact CD1-CB 3.86Å; A125-F135 HydrophobicContact CB-CB 3.56Å; A125-F135 HydrophobicContact CB-CD2 3.7Å; A125-F135 HydrophobicContact CB-CG 3.75Å; A125-F140 HydrophobicContact CB-CB 3.91Å; A125-W177 PolarHBondContact O-NE1 3.32Å; A125-H184 PolarHBondContact N-O 2.81Å; A125-H184 VanDerWaalsContact N-O 3.17Å; A125-L186 PolarHBondContact O-N 3.22Å
126A97.6Very high96.4Very high0 Ų042.2 Ų42.20%023%0.229CC..EExtended strand (participates in β ladder)trans-85.2150.3176.500000110.7F135 N136 L186 N191A126-F135 CarbonylContact O-C 3.58Å; A126-F135 VanDerWaalsContact O-CA 3.29Å; A126-F135 WeakPolarHBondContact O-CA 3.47Å; A126-F135 WeakPolarHBondContact O-CB 3.49Å; A126-N136 PolarHBondContact O-N 3.05Å; A126-L186 HydrophobicContact CB-CB 4.22Å; A126-N191 HydrophobicContact CB-CB 3.6Å
127P95.9Very high96.3Very high42 Ų4239.8 Ų39.827%0.27322%0.218SC..EExtended strand (participates in β ladder)trans-61.2143.7174.726.5-34.5000111.3P132 W177P127-P132 HydrophobicContact CB-CB 4.48Å; P127-W177 HydrophobicContact CB-CH2 4.13Å
128D94.5Very high96.3Very high23 Ų2339.8 Ų39.812%0.12322%0.218CC..PPolyproline II helixtrans-70.2145.6170.5-171.9-94.8000111.3G130 W131 P132 I134 N136 Q167D128-G130 VanDerWaalsContact C-N 3.35Å; D128-G130 WeakPolarHBondContact OD1-CA 3.26Å; D128-G130 PolarHBondContact OD1-N 2.83Å; D128-W131 PolarHBondContact OD1-N 2.98Å; D128-P132 WeakPolarHBondContact O-CA 3.25Å; D128-I134 HydrophobicContact CB-CD1 4.36Å; D128-I134 HydrophobicContact CB-CG1 3.98Å; D128-I134 PolarHBondContact N-O 3.37Å; D128-N136 HydrophobicContact CB-CB 4.24Å; D128-N136 PolarHBondContact OD2-ND2 3.09Å; D128-Q167 PolarHBondContact OD2-NE2 3.39Å
129I89.8Confident96.3Very high57 Ų5739.7 Ų39.729%0.29222%0.218SC..SBendtrans-73.1-27.5-178.358.3164.4000113.1F188 A193 L197 Y198 L217I129-F188 HydrophobicContact CG2-CE2 3.38Å; I129-F188 HydrophobicContact CG2-CZ 3.66Å; I129-A193 HydrophobicContact CD1-CB 3.77Å; I129-A193 HydrophobicContact CG1-CB 4.32Å; I129-A193 HydrophobicContact CG2-CB 3.85Å; I129-L197 HydrophobicContact CD1-CB 4.14Å; I129-Y198 HydrophobicContact CG2-CD2 4.24Å; I129-L217 HydrophobicContact CD1-CD1 4.31Å
130G89.1Confident96.3Very high61 Ų6133.4 Ų33.463%0.62918%0.184SC*.SBendtrans-83.5-47-17800000111.8D128D128-G130 VanDerWaalsContact C-N 3.35Å; D128-G130 WeakPolarHBondContact OD1-CA 3.26Å; D128-G130 PolarHBondContact OD1-N 2.83Å
131W93.6Very high96.4Very high166 Ų16630.9 Ų30.963%0.62917%0.174SC*.  trans-131.296.3178-168.6-85.4000110.5D128 D133 I134D128-W131 PolarHBondContact OD1-N 2.98Å; W131-D133 PolarHBondContact O-N 2.7Å; W131-I134 HydrophobicContact CB-CD1 4.33Å; W131-I134 HydrophobicContact CB-CG1 3.99Å; W131-I134 HydrophobicContact CG-CG1 4.4Å; W131-I134 WeakPolarHBondContact O-CG1 3.42Å; W131-I134 PolarHBondContact O-N 3.38Å
132P93Very high96.4Very high79 Ų7928.9 Ų28.951%0.51316%0.161SC..THydrogen-bonded Turntrans-71.7-6.1-167.528.8-36.4000115P127 D128 I134P127-P132 HydrophobicContact CB-CB 4.48Å; D128-P132 WeakPolarHBondContact O-CA 3.25Å; P132-I134 VanDerWaalsContact C-N 3.32Å
133D95.6Very high96.4Very high90 Ų9030.9 Ų30.948%0.48117%0.171SC..THydrogen-bonded Turntrans-84-7.8173.2-74.5-6.8000113.1W131 L178W131-D133 PolarHBondContact O-N 2.7Å; D133-L178 HydrophobicContact CB-CD1 4.23Å; D133-L178 HydrophobicContact CB-CD2 4.11Å
134I96.8Very high96.5Very high32 Ų3231.6 Ų31.616%0.16418%0.175CC..SBendtrans-108.5158.1166.261.1164.8000109.8D128 W131 P132 F162 N171D128-I134 HydrophobicContact CB-CD1 4.36Å; D128-I134 HydrophobicContact CB-CG1 3.98Å; D128-I134 PolarHBondContact N-O 3.37Å; W131-I134 HydrophobicContact CB-CD1 4.33Å; W131-I134 HydrophobicContact CB-CG1 3.99Å; W131-I134 HydrophobicContact CG-CG1 4.4Å; W131-I134 WeakPolarHBondContact O-CG1 3.42Å; W131-I134 PolarHBondContact O-N 3.38Å; P132-I134 VanDerWaalsContact C-N 3.32Å; I134-F162 HydrophobicContact CD1-CZ 4.47Å; I134-N171 WeakPolarHBondContact CA-OD1 3.33Å; I134-N171 HydrophobicContact CB-CB 4.48Å; I134-N171 WeakPolarHBondContact CB-OD1 3.3Å; I134-N171 HydrophobicContact CG2-CB 4.31Å
135F98Very high96.4Very high0 Ų033 Ų330%019%0.185CC..EExtended strand (participates in β ladder)trans-92.7151.8172.160.2-96.6000111.8L123 A125 A126 L170 N171 F174 W177L123-F135 HydrophobicContact CD1-CD1 4.07Å; L123-F135 HydrophobicContact CD1-CD2 4.22Å; L123-F135 HydrophobicContact CD1-CE1 3.79Å; L123-F135 HydrophobicContact CD1-CE2 3.97Å; L123-F135 HydrophobicContact CD1-CG 4.27Å; L123-F135 HydrophobicContact CD1-CZ 3.72Å; L123-F135 HydrophobicContact CG-CZ 4.29Å; A125-F135 HydrophobicContact CB-CB 3.56Å; A125-F135 HydrophobicContact CB-CD2 3.7Å; A125-F135 HydrophobicContact CB-CG 3.75Å; A126-F135 CarbonylContact O-C 3.58Å; A126-F135 VanDerWaalsContact O-CA 3.29Å; A126-F135 WeakPolarHBondContact O-CA 3.47Å; A126-F135 WeakPolarHBondContact O-CB 3.49Å; F135-L170 HydrophobicContact CE2-CB 3.85Å; F135-L170 VanDerWaalsContact CZ-C 3.49Å; F135-L170 HydrophobicContact CZ-CB 3.81Å; F135-L170 WeakPolarHBondContact CZ-O 3.38Å; F135-N171 WeakPolarHBondContact CD1-OD1 3.42Å; F135-N171 HydrophobicContact CE1-CB 4.36Å; F135-N171 VanDerWaalsContact CE1-OD1 3.26Å; F135-N171 WeakPolarHBondContact CE1-OD1 3.4Å; F135-N171 HydrophobicContact CZ-CB 4.49Å; F135-N171 PolarHBondContact N-OD1 3.37Å; F135-N171 PolarHBondContact O-ND2 2.99Å; F135-F174 HydrophobicContact CE1-CB 4.03Å; F135-F174 HydrophobicContact CZ-CB 4.2Å; F135-F174 HydrophobicContact CZ-CD2 4.49Å; F135-W177 HydrophobicContact CB-CD2 3.86Å; F135-W177 HydrophobicContact CB-CE3 4.11Å; F135-W177 HydrophobicContact CB-CG 4.46Å; F135-W177 HydrophobicContact CB-CH2 4Å; F135-W177 HydrophobicContact CB-CZ2 3.75Å; F135-W177 HydrophobicContact CB-CZ3 4.18Å; F135-W177 HydrophobicContact CD1-CB 3.76Å; F135-W177 AromaticContact CD1-CD1 3.96Å; F135-W177 AromaticContact CD1-CD2 3.56Å; F135-W177 HydrophobicContact CD1-CD2 3.56Å; F135-W177 AromaticContact CD1-CE3 3.91Å; F135-W177 HydrophobicContact CD1-CE3 3.91Å; F135-W177 AromaticContact CD1-CG 3.46Å; F135-W177 HydrophobicContact CD1-CG 3.46Å; F135-W177 VanDerWaalsContact CD1-CG 3.46Å; F135-W177 HydrophobicContact CE1-CB 3.91Å; F135-W177 HydrophobicContact CE1-CG 4.08Å; F135-W177 HydrophobicContact CG-CD2 4.17Å; F135-W177 HydrophobicContact CG-CG 4.32Å
136N97.5Very high96.3Very high10 Ų1036.5 Ų36.55%0.05320%0.201CC..EExtended strand (participates in β ladder)trans-82126.8170.1-173.5-83.9000110.3A126 D128 G138 Q167 N191 H215A126-N136 PolarHBondContact O-N 3.05Å; D128-N136 HydrophobicContact CB-CB 4.24Å; D128-N136 PolarHBondContact OD2-ND2 3.09Å; N136-G138 PolarHBondContact O-N 2.8Å; N136-G138 WeakPolarHBondContact OD1-CA 3.17Å; N136-G138 PolarHBondContact OD1-N 2.75Å; N136-Q167 VanDerWaalsContact CA-OE1 3.26Å; N136-Q167 PolarHBondContact ND2-OE1 3.43Å; N136-N191 WeakPolarHBondContact CB-ND2 3.49Å; N136-N191 PolarHBondContact OD1-ND2 3.06Å; N136-H215 PolarHBondContact OD1-CE1 3.34Å; N136-H215 PolarHBondContact OD1-ND1 3.11Å
137S97.5Very high96.3Very high4 Ų439.8 Ų39.83%0.02823%0.225CC..EExtended strand (participates in β ladder)trans-82.86.1-176.164.80000114.4K89 V139 F140 D166 Q167K89-S137 PolarHBondContact NZ-O 2.97Å; S137-V139 VanDerWaalsContact C-N 3.34Å; S137-F140 VanDerWaalsContact O-CD1 3.28Å; S137-F140 WeakPolarHBondContact O-CD1 3.4Å; S137-F140 WeakPolarHBondContact O-CE1 3.42Å; S137-D166 WeakPolarHBondContact CB-OD2 3.31Å; S137-D166 PolarHBondContact OG-OD2 3.49Å; S137-Q167 VanDerWaalsContact N-OE1 3.17Å; S137-Q167 WeakPolarHBondContact OG-CA 3.45Å; S137-Q167 VanDerWaalsContact OG-CB 3.3Å; S137-Q167 WeakPolarHBondContact OG-CB 3.42Å
138G97Very high96.4Very high0 Ų038.6 Ų38.60%022%0.216CC..EExtended strand (participates in β ladder)trans-70.2-29177.900000114.2V104 D105 N136V104-G138 CarbonylContact C-O 3.59Å; V104-G138 WeakPolarHBondContact CA-O 3.49Å; D105-G138 PolarHBondContact N-O 2.87Å; D105-G138 VanDerWaalsContact OD2-CA 3.27Å; D105-G138 WeakPolarHBondContact OD2-CA 3.48Å; N136-G138 PolarHBondContact O-N 2.8Å; N136-G138 WeakPolarHBondContact OD1-CA 3.17Å; N136-G138 PolarHBondContact OD1-N 2.75Å
139V98.6Very high96.5Very high0 Ų038.5 Ų38.50%022%0.215CC..EExtended strand (participates in β ladder)trans-140.8120.1174.3-177.20000109.7V102 F103 V104 L117 S137 Y190 N191 I213V102-V139 HydrophobicContact CG1-CG1 4.27Å; F103-V139 WeakPolarHBondContact O-CA 3.33Å; V104-V139 HydrophobicContact CG1-CG2 4.31Å; V104-V139 HydrophobicContact CG2-CG1 4.36Å; L117-V139 HydrophobicContact CD1-CG1 4.39Å; S137-V139 VanDerWaalsContact C-N 3.34Å; V139-Y190 WeakPolarHBondContact CG2-O 3.05Å; V139-N191 HydrophobicContact CB-CB 4.07Å; V139-N191 HydrophobicContact CG2-CB 4.11Å; V139-N191 PolarHBondContact N-ND2 3.39Å; V139-I213 HydrophobicContact CG1-CD1 4.22Å; V139-I213 HydrophobicContact CG2-CG2 4.13Å
140F98.8Very high96.7Very high0 Ų041.8 Ų41.80%023%0.227CC..EExtended strand (participates in β ladder)trans-151.5152.917763.8-92.3000113.6W93 V102 F103 L123 S124 A125 S137 F142 L170W93-F140 HydrophobicContact CH2-CD2 4.24Å; W93-F140 AromaticContact CH2-CE2 3.4Å; W93-F140 HydrophobicContact CH2-CE2 3.4Å; W93-F140 AromaticContact CH2-CZ 3.83Å; W93-F140 HydrophobicContact CH2-CZ 3.83Å; W93-F140 HydrophobicContact CZ2-CE2 4.01Å; W93-F140 AromaticContact CZ3-CE2 3.97Å; W93-F140 HydrophobicContact CZ3-CE2 3.97Å; W93-F140 HydrophobicContact CZ3-CZ 4.03Å; V102-F140 CarbonylContact C-O 3.59Å; V102-F140 WeakPolarHBondContact CA-O 3.34Å; F103-F140 HydrophobicContact CB-CD1 3.89Å; F103-F140 HydrophobicContact CB-CD2 4Å; F103-F140 HydrophobicContact CB-CE1 3.46Å; F103-F140 VanDerWaalsContact CB-CE1 3.46Å; F103-F140 HydrophobicContact CB-CE2 3.58Å; F103-F140 HydrophobicContact CB-CG 4.15Å; F103-F140 HydrophobicContact CB-CZ 3.29Å; F103-F140 HydrophobicContact CD1-CD1 4.46Å; F103-F140 AromaticContact CD1-CE1 3.72Å; F103-F140 HydrophobicContact CD1-CE1 3.72Å; F103-F140 HydrophobicContact CD1-CZ 4.11Å; F103-F140 HydrophobicContact CD2-CE1 4.42Å; F103-F140 AromaticContact CD2-CZ 3.97Å; F103-F140 HydrophobicContact CD2-CZ 3.97Å; F103-F140 HydrophobicContact CG-CD1 4.41Å; F103-F140 AromaticContact CG-CE1 3.59Å; F103-F140 HydrophobicContact CG-CE1 3.59Å; F103-F140 HydrophobicContact CG-CE2 4.27Å; F103-F140 AromaticContact CG-CZ 3.5Å; F103-F140 HydrophobicContact CG-CZ 3.5Å; F103-F140 PolarHBondContact N-O 3.24Å; F103-F140 PolarHBondContact O-N 3.23Å; F103-F140 VanDerWaalsContact O-N 3.12Å; L123-F140 HydrophobicContact CD2-CB 3.79Å; L123-F140 HydrophobicContact CD2-CD2 3.63Å; L123-F140 HydrophobicContact CD2-CG 4Å; S124-F140 CarbonylContact O-C 3.27Å; S124-F140 WeakPolarHBondContact O-CA 3.48Å; A125-F140 HydrophobicContact CB-CB 3.91Å; S137-F140 VanDerWaalsContact O-CD1 3.28Å; S137-F140 WeakPolarHBondContact O-CD1 3.4Å; S137-F140 WeakPolarHBondContact O-CE1 3.42Å; F140-F142 HydrophobicContact CD2-CB 4.02Å; F140-F142 AromaticContact CD2-CD1 3.86Å; F140-F142 HydrophobicContact CD2-CD1 3.86Å; F140-F142 HydrophobicContact CD2-CG 4.26Å; F140-F142 HydrophobicContact CE2-CB 4.02Å; F140-F142 AromaticContact CE2-CD1 3.53Å; F140-F142 HydrophobicContact CE2-CD1 3.53Å; F140-F142 HydrophobicContact CE2-CE1 4.19Å; F140-F142 AromaticContact CE2-CG 3.89Å; F140-F142 HydrophobicContact CE2-CG 3.89Å; F140-L170 HydrophobicContact CE1-CD1 4.05Å; F140-L170 HydrophobicContact CZ-CD1 4.22Å
141V98.9Very high97.1Very high0 Ų042.8 Ų42.80%022%0.218CC..EExtended strand (participates in β ladder)trans-99.7130.2176.3-171.40000109.2K100 C101 V102 L117 L123 S124 L186K100-V141 HydrophobicContact CD-CG1 4.06Å; K100-V141 HydrophobicContact CG-CG1 4.12Å; C101-V141 WeakPolarHBondContact O-CA 3.49Å; V102-V141 HydrophobicContact CG2-CG2 4.22Å; L117-V141 HydrophobicContact CB-CG2 4.3Å; L117-V141 WeakPolarHBondContact O-CG2 3.25Å; L123-V141 WeakPolarHBondContact CD2-O 3.38Å; S124-V141 PolarHBondContact N-O 2.88Å; S124-V141 PolarHBondContact O-N 2.96Å; V141-L186 HydrophobicContact CG2-CD1 4.38Å
142F98.8Very high97.1Very high0 Ų034.9 Ų34.90%019%0.188CC..EExtended strand (participates in β ladder)trans-145.8165.4-176.874.8-78.4000112.1V10 C92 W93 C101 F103 E122 F140 P144V10-F142 HydrophobicContact CG2-CZ 4.27Å; C92-F142 HydrophobicContact CB-CE1 4.46Å; C92-F142 HydrophobicContact CB-CE2 4.11Å; C92-F142 HydrophobicContact CB-CZ 3.68Å; C92-F142 WeakPolarHBondContact O-CE2 3.36Å; W93-F142 AromaticContact CD1-CD2 3.93Å; W93-F142 HydrophobicContact CD2-CD2 4.01Å; W93-F142 HydrophobicContact CD2-CE2 4.49Å; W93-F142 AromaticContact CE2-CD2 3.76Å; W93-F142 HydrophobicContact CG-CD2 4.13Å; W93-F142 HydrophobicContact CG-CE2 4.47Å; W93-F142 HydrophobicContact CZ2-CB 3.7Å; W93-F142 HydrophobicContact CZ2-CD2 4.24Å; W93-F142 HydrophobicContact CZ2-CG 4.15Å; W93-F142 AromaticContact NE1-CD2 3.7Å; C101-F142 HydrophobicContact CB-CD1 3.84Å; C101-F142 HydrophobicContact CB-CD2 4.49Å; C101-F142 HydrophobicContact CB-CE1 3.19Å; C101-F142 HydrophobicContact CB-CE2 3.95Å; C101-F142 HydrophobicContact CB-CG 4.45Å; C101-F142 HydrophobicContact CB-CZ 3.26Å; C101-F142 PolarHBondContact N-O 3.41Å; C101-F142 PolarHBondContact O-N 3.44Å; F103-F142 HydrophobicContact CB-CD1 4.19Å; F103-F142 HydrophobicContact CB-CE1 3.87Å; E122-F142 HydrophobicContact CG-CB 4.44Å; E122-F142 WeakPolarHBondContact OE2-CB 3.33Å; F140-F142 HydrophobicContact CD2-CB 4.02Å; F140-F142 AromaticContact CD2-CD1 3.86Å; F140-F142 HydrophobicContact CD2-CD1 3.86Å; F140-F142 HydrophobicContact CD2-CG 4.26Å; F140-F142 HydrophobicContact CE2-CB 4.02Å; F140-F142 AromaticContact CE2-CD1 3.53Å; F140-F142 HydrophobicContact CE2-CD1 3.53Å; F140-F142 HydrophobicContact CE2-CE1 4.19Å; F140-F142 AromaticContact CE2-CG 3.89Å; F140-F142 HydrophobicContact CE2-CG 3.89Å; F142-P144 HydrophobicContact CD2-CG 4.31Å; F142-P144 HydrophobicContact CE2-CB 4.46Å; F142-P144 HydrophobicContact CE2-CG 3.77Å; F142-P144 HydrophobicContact CZ-CG 4.48Å
143E98.7Very high97Very high83 Ų8331.7 Ų31.739%0.38817%0.166SC..  trans-118.3108.8178.7-67.6-177.2-179.900108.5K100 E122 S145K100-E143 WeakPolarHBondContact CE-OE1 3.22Å; K100-E143 IonicContact NZ-OE1 3.08Å; E122-E143 HydrophobicContact CB-CB 4.34Å; E122-E143 HydrophobicContact CB-CG 4.08Å; E122-E143 PolarHBondContact OE2-N 2.79Å; E143-S145 PolarHBondContact O-N 3.01Å
144P98.6Very high96.8Very high17 Ų1731.4 Ų31.411%0.1117%0.168CC..  trans-54128.1-179.4-26.733.9000112.4W93 L95 C101 F142W93-P144 CarbonylContact O-C 3.21Å; W93-P144 WeakPolarHBondContact O-CA 3.43Å; L95-P144 VanDerWaalsContact C-CB 3.49Å; L95-P144 HydrophobicContact CB-CB 4.5Å; L95-P144 HydrophobicContact CB-CG 4.47Å; L95-P144 VanDerWaalsContact O-CB 3.25Å; L95-P144 WeakPolarHBondContact O-CB 3.38Å; L95-P144 WeakPolarHBondContact O-CG 3.43Å; C101-P144 HydrophobicContact CB-CG 4.43Å; F142-P144 HydrophobicContact CD2-CG 4.31Å; F142-P144 HydrophobicContact CE2-CB 4.46Å; F142-P144 HydrophobicContact CE2-CG 3.77Å; F142-P144 HydrophobicContact CZ-CG 4.48Å
145S98.4Very high96.6Very high30 Ų3031 Ų3121%0.2117%0.165CC..  trans-156.9122.9-176.5170.10000110.5W93 E143 S147 T148 Y149W93-S145 CarbonylContact O-C 3.59Å; W93-S145 PolarHBondContact O-N 3.39Å; E143-S145 PolarHBondContact O-N 3.01Å; S145-S147 PolarHBondContact O-N 2.95Å; S145-S147 PolarHBondContact OG-N 3.24Å; S145-S147 PolarHBondContact OG-OG 3.37Å; S145-T148 WeakPolarHBondContact CB-OG1 3.47Å; S145-T148 PolarHBondContact O-N 3.08Å; S145-T148 PolarHBondContact OG-N 3.07Å; S145-T148 PolarHBondContact OG-OG1 3.42Å; S145-Y149 PolarHBondContact O-N 3.46Å
146E96.3Very high96.2Very high72 Ų7231 Ų3134%0.33617%0.166SC..Hα-helixtrans-60.4-31.4174.1-76.7-73.917300112.3K94 T96 K150K94-E146 WeakPolarHBondContact CE-OE1 3.15Å; T96-E146 HydrophobicContact CG2-CG 4.03Å; E146-K150 WeakPolarHBondContact O-CB 3.22Å; E146-K150 VanDerWaalsContact O-CG 3.27Å; E146-K150 WeakPolarHBondContact O-CG 3.12Å; E146-K150 PolarHBondContact O-N 3.29Å; E146-K150 VanDerWaalsContact O-N 3.09Å
147S97.8Very high95.7Very high70 Ų7032.9 Ų32.949%0.4918%0.175SC..Hα-helixtrans-72-43.5175.861.20000111.2S145 K150 N151S145-S147 PolarHBondContact O-N 2.95Å; S145-S147 PolarHBondContact OG-N 3.24Å; S145-S147 PolarHBondContact OG-OG 3.37Å; S147-K150 PolarHBondContact O-N 3.07Å; S147-N151 WeakPolarHBondContact O-CB 3.18Å; S147-N151 PolarHBondContact O-N 2.97Å; S147-N151 PolarHBondContact O-ND2 3.48Å; S147-N151 PolarHBondContact O-OD1 3.33Å
148T97.9Very high95.2Very high16 Ų1637.8 Ų37.810%0.09821%0.205CC..Hα-helixtrans-61.2-46175.7-56.80000110.5W93 S145 K150 N151 I152 Y173 F174W93-T148 HydrophobicContact CG-CG2 4.2Å; S145-T148 WeakPolarHBondContact CB-OG1 3.47Å; S145-T148 PolarHBondContact O-N 3.08Å; S145-T148 PolarHBondContact OG-N 3.07Å; S145-T148 PolarHBondContact OG-OG1 3.42Å; T148-K150 PolarHBondContact O-N 3.29Å; T148-N151 PolarHBondContact O-N 2.89Å; T148-I152 HydrophobicContact CG2-CD1 3.8Å; T148-I152 HydrophobicContact CG2-CG1 4.35Å; T148-I152 VanDerWaalsContact O-CG1 3.29Å; T148-I152 WeakPolarHBondContact O-CG1 3.38Å; T148-I152 PolarHBondContact O-N 3.3Å; T148-Y173 HydrophobicContact CG2-CE1 4Å; T148-F174 HydrophobicContact CG2-CZ 4.26Å
149Y95.8Very high94.9Very high22 Ų2244.3 Ų44.39%0.08624%0.236CC..Hα-helixtrans-53.3-55.4173.9173-103.6000111.9L90 H91 K94 S145 N151 I152 I153L90-Y149 HydrophobicContact CB-CD2 4.47Å; L90-Y149 HydrophobicContact CB-CE2 4.31Å; L90-Y149 WeakPolarHBondContact O-CD2 3.4Å; H91-Y149 PolarHBondContact CE1-OH 2.85Å; H91-Y149 PolarHBondContact NE2-OH 3.14Å; K94-Y149 HydrophobicContact CD-CD1 3.95Å; K94-Y149 HydrophobicContact CD-CD2 4.27Å; K94-Y149 HydrophobicContact CD-CE1 3.78Å; K94-Y149 HydrophobicContact CD-CE2 4.08Å; K94-Y149 HydrophobicContact CD-CG 4.2Å; K94-Y149 HydrophobicContact CG-CD1 3.85Å; K94-Y149 HydrophobicContact CG-CD2 3.89Å; K94-Y149 HydrophobicContact CG-CE1 4.2Å; K94-Y149 HydrophobicContact CG-CE2 4.21Å; K94-Y149 HydrophobicContact CG-CG 3.7Å; S145-Y149 PolarHBondContact O-N 3.46Å; Y149-N151 VanDerWaalsContact C-N 3.27Å; Y149-N151 PolarHBondContact O-N 2.98Å; Y149-I152 PolarHBondContact O-N 2.55Å; Y149-I153 HydrophobicContact CD1-CG1 4.35Å; Y149-I153 HydrophobicContact CD2-CD1 4.47Å; Y149-I153 HydrophobicContact CD2-CG1 4.02Å; Y149-I153 HydrophobicContact CE1-CG1 3.94Å; Y149-I153 HydrophobicContact CE2-CD1 3.76Å; Y149-I153 HydrophobicContact CE2-CG1 3.61Å; Y149-I153 HydrophobicContact CG-CG1 4.38Å; Y149-I153 VanDerWaalsContact O-CG1 3.27Å; Y149-I153 WeakPolarHBondContact O-CG1 3.36Å; Y149-I153 PolarHBondContact O-N 2.85Å
150K94.3Very high94.2Very high125 Ų12544.7 Ų44.754%0.54324%0.24SC..Hα-helixtrans-58.5-39.4-179.2-74.4173.1-175178.40112.4E146 S147 T148 T154E146-K150 WeakPolarHBondContact O-CB 3.22Å; E146-K150 VanDerWaalsContact O-CG 3.27Å; E146-K150 WeakPolarHBondContact O-CG 3.12Å; E146-K150 PolarHBondContact O-N 3.29Å; E146-K150 VanDerWaalsContact O-N 3.09Å; S147-K150 PolarHBondContact O-N 3.07Å; T148-K150 PolarHBondContact O-N 3.29Å; K150-T154 WeakPolarHBondContact O-CB 3.28Å; K150-T154 PolarHBondContact O-N 2.8Å; K150-T154 PolarHBondContact O-OG1 2.97Å
151N96.4Very high93.8Very high83 Ų8345.1 Ų45.144%0.44424%0.243SC..Hα-helixtrans-68-44.7179.3-66.2-12.9000111.6S147 T148 Y149 I153 T154 M155 Y173S147-N151 WeakPolarHBondContact O-CB 3.18Å; S147-N151 PolarHBondContact O-N 2.97Å; S147-N151 PolarHBondContact O-ND2 3.48Å; S147-N151 PolarHBondContact O-OD1 3.33Å; T148-N151 PolarHBondContact O-N 2.89Å; Y149-N151 VanDerWaalsContact C-N 3.27Å; Y149-N151 PolarHBondContact O-N 2.98Å; N151-I153 PolarHBondContact O-N 3.12Å; N151-T154 PolarHBondContact O-N 2.86Å; N151-M155 WeakPolarHBondContact O-CB 3.33Å; N151-M155 PolarHBondContact O-N 3.12Å; N151-Y173 HydrophobicContact CB-CE2 3.63Å; N151-Y173 WeakPolarHBondContact CB-OH 3.44Å
152I95.1Very high93.4Very high0 Ų051.4 Ų51.40%027%0.27CS..Hα-helixtrans-60.7-46.2175.9-62.5164.8000110.2L90 W93 T148 Y149 T154 M155 A156 I169 L170 Y173 F174L90-I152 HydrophobicContact CD1-CG2 3.67Å; L90-I152 HydrophobicContact CD2-CG2 3.82Å; L90-I152 HydrophobicContact CG-CG2 4.32Å; W93-I152 HydrophobicContact CD2-CD1 3.87Å; W93-I152 HydrophobicContact CE3-CD1 3.95Å; W93-I152 HydrophobicContact CG-CD1 4.45Å; W93-I152 HydrophobicContact CH2-CD1 4.31Å; W93-I152 HydrophobicContact CZ2-CD1 4.21Å; W93-I152 HydrophobicContact CZ3-CD1 4.18Å; T148-I152 HydrophobicContact CG2-CD1 3.8Å; T148-I152 HydrophobicContact CG2-CG1 4.35Å; T148-I152 VanDerWaalsContact O-CG1 3.29Å; T148-I152 WeakPolarHBondContact O-CG1 3.38Å; T148-I152 PolarHBondContact O-N 3.3Å; Y149-I152 PolarHBondContact O-N 2.55Å; I152-T154 PolarHBondContact O-N 2.91Å; I152-M155 PolarHBondContact O-N 2.85Å; I152-A156 VanDerWaalsContact O-CB 3.28Å; I152-A156 WeakPolarHBondContact O-CB 3.38Å; I152-A156 PolarHBondContact O-N 2.81Å; I152-I169 HydrophobicContact CG2-CG2 3.55Å; I152-L170 HydrophobicContact CD1-CD2 4.41Å; I152-Y173 HydrophobicContact CD1-CD1 4.13Å; I152-Y173 HydrophobicContact CD1-CE1 4.21Å; I152-Y173 HydrophobicContact CG1-CD1 3.5Å; I152-Y173 VanDerWaalsContact CG1-CD1 3.5Å; I152-Y173 HydrophobicContact CG1-CD2 3.89Å; I152-Y173 HydrophobicContact CG1-CE1 3.64Å; I152-Y173 HydrophobicContact CG1-CE2 4.03Å; I152-Y173 HydrophobicContact CG1-CG 3.62Å; I152-F174 HydrophobicContact CD1-CE2 4.24Å; I152-F174 HydrophobicContact CD1-CZ 4.44Å
153I90.9Very high92.9Very high12 Ų1255 Ų556%0.06229%0.29CS..Hα-helixtrans-61.6-44.8178.6-64.4-65.9000111.3F87 L90 Y149 N151 M155 A156 I157F87-I153 HydrophobicContact CD1-CD1 3.52Å; F87-I153 HydrophobicContact CE1-CD1 3.97Å; L90-I153 HydrophobicContact CB-CD1 4.27Å; L90-I153 HydrophobicContact CD1-CD1 3.78Å; Y149-I153 HydrophobicContact CD1-CG1 4.35Å; Y149-I153 HydrophobicContact CD2-CD1 4.47Å; Y149-I153 HydrophobicContact CD2-CG1 4.02Å; Y149-I153 HydrophobicContact CE1-CG1 3.94Å; Y149-I153 HydrophobicContact CE2-CD1 3.76Å; Y149-I153 HydrophobicContact CE2-CG1 3.61Å; Y149-I153 HydrophobicContact CG-CG1 4.38Å; Y149-I153 VanDerWaalsContact O-CG1 3.27Å; Y149-I153 WeakPolarHBondContact O-CG1 3.36Å; Y149-I153 PolarHBondContact O-N 2.85Å; N151-I153 PolarHBondContact O-N 3.12Å; I153-M155 PolarHBondContact O-N 2.79Å; I153-A156 PolarHBondContact O-N 2.89Å; I153-I157 HydrophobicContact CG2-CD1 3.74Å; I153-I157 HydrophobicContact CG2-CG1 4.44Å; I153-I157 WeakPolarHBondContact O-CB 3.46Å; I153-I157 WeakPolarHBondContact O-CG1 3.45Å; I153-I157 PolarHBondContact O-N 3.33Å
154T91.6Very high92.3Very high84 Ų8452.3 Ų52.352%0.51528%0.284SS..Hα-helixtrans-61.1-44.7178.9-59.10000111.3K150 N151 I152 T158K150-T154 WeakPolarHBondContact O-CB 3.28Å; K150-T154 PolarHBondContact O-N 2.8Å; K150-T154 PolarHBondContact O-OG1 2.97Å; N151-T154 PolarHBondContact O-N 2.86Å; I152-T154 PolarHBondContact O-N 2.91Å; T154-T158 WeakPolarHBondContact O-CB 3.28Å; T154-T158 PolarHBondContact O-N 3.31Å; T154-T158 VanDerWaalsContact O-N 3.09Å; T154-T158 PolarHBondContact O-OG1 2.92Å
155M92.5Very high91.8Very high22 Ų2252.3 Ų52.311%0.10829%0.287CS..Hα-helixtrans-64.4-47.3175.6-170.1-155.980.500111.3N151 I152 I153 I157 T158 E159 I169 A172 Y173N151-M155 WeakPolarHBondContact O-CB 3.33Å; N151-M155 PolarHBondContact O-N 3.12Å; I152-M155 PolarHBondContact O-N 2.85Å; I153-M155 PolarHBondContact O-N 2.79Å; M155-I157 VanDerWaalsContact C-N 3.29Å; M155-I157 PolarHBondContact O-N 3.37Å; M155-T158 PolarHBondContact O-N 3.11Å; M155-E159 HydrophobicContact CG-CG 4.39Å; M155-E159 WeakPolarHBondContact O-CB 3.42Å; M155-E159 PolarHBondContact O-N 2.87Å; M155-I169 HydrophobicContact CE-CG2 4.24Å; M155-I169 VanDerWaalsContact CE-O 3.31Å; M155-I169 WeakPolarHBondContact CE-O 3.43Å; M155-A172 HydrophobicContact CE-CB 3.61Å; M155-A172 HydrophobicContact SD-CB 4.17Å; M155-Y173 WeakPolarHBondContact SD-CA 3.33Å; M155-Y173 HydrophobicContact SD-CD2 3.93Å; M155-Y173 HydrophobicContact SD-CG 4.32Å
156A89.7Confident91.5Very high1 Ų152.2 Ų52.21%0.00828%0.284CS..Hα-helixtrans-60.3-36.5179.100000113F87 I152 I153 G160 I169F87-A156 HydrophobicContact CE1-CB 3.79Å; F87-A156 HydrophobicContact CZ-CB 4.1Å; I152-A156 VanDerWaalsContact O-CB 3.28Å; I152-A156 WeakPolarHBondContact O-CB 3.38Å; I152-A156 PolarHBondContact O-N 2.81Å; I153-A156 PolarHBondContact O-N 2.89Å; A156-G160 WeakPolarHBondContact O-CA 3.3Å; A156-G160 PolarHBondContact O-N 2.87Å; A156-I169 HydrophobicContact CB-CD1 3.65Å; A156-I169 HydrophobicContact CB-CG1 3.81Å; A156-I169 HydrophobicContact CB-CG2 4.03Å
157I85.5Confident91.5Very high50 Ų5050.1 Ų50.126%0.25628%0.275SS..Hα-helixtrans-68.5-39174-75.9170.3000111.5I78 F87 I153 M155I78-I157 HydrophobicContact CD1-CB 4.25Å; I78-I157 HydrophobicContact CD1-CG1 4.12Å; I78-I157 HydrophobicContact CD1-CG2 3.76Å; F87-I157 HydrophobicContact CZ-CG1 4.45Å; I153-I157 HydrophobicContact CG2-CD1 3.74Å; I153-I157 HydrophobicContact CG2-CG1 4.44Å; I153-I157 WeakPolarHBondContact O-CB 3.46Å; I153-I157 WeakPolarHBondContact O-CG1 3.45Å; I153-I157 PolarHBondContact O-N 3.33Å; M155-I157 VanDerWaalsContact C-N 3.29Å; M155-I157 PolarHBondContact O-N 3.37Å
158T88.7Confident91.3Very high107 Ų10746.8 Ų46.866%0.65625%0.251SS*.Hα-helixtrans-80.9-41.8-173.5-55.20000112.3T154 M155T154-T158 WeakPolarHBondContact O-CB 3.28Å; T154-T158 PolarHBondContact O-N 3.31Å; T154-T158 VanDerWaalsContact O-N 3.09Å; T154-T158 PolarHBondContact O-OG1 2.92Å; M155-T158 PolarHBondContact O-N 3.11Å
159E89.1Confident91.2Very high136 Ų13646 Ų4664%0.63625%0.247SC*.Hα-helixtrans-109.9-20.4-170.1-60.6179.7-154.800112.6M155M155-E159 HydrophobicContact CG-CG 4.39Å; M155-E159 WeakPolarHBondContact O-CB 3.42Å; M155-E159 PolarHBondContact O-N 2.87Å
160G85.2Confident91.3Very high8 Ų845 Ų458%0.08224%0.243CC..  trans75.6-164.9-17300000113.1A156A156-G160 WeakPolarHBondContact O-CA 3.3Å; A156-G160 PolarHBondContact O-N 2.87Å
161S89.5Confident91.5Very high10 Ų1039.7 Ų39.77%0.0722%0.22CC..  trans-109.7137.1168.1-1750000109.7D163 G164 G165 G168 I169S161-D163 VanDerWaalsContact C-N 3.31Å; S161-D163 PolarHBondContact OG-OD1 2.92Å; S161-G164 PolarHBondContact OG-N 2.84Å; S161-G165 VanDerWaalsContact CB-O 3.3Å; S161-G165 WeakPolarHBondContact CB-O 3.45Å; S161-G165 PolarHBondContact OG-N 3.26Å; S161-G165 PolarHBondContact OG-O 3.25Å; S161-G168 WeakPolarHBondContact OG-CA 3.37Å; S161-I169 PolarHBondContact OG-N 3.47Å
162F90.5Very high91.5Very high131 Ų13137.4 Ų37.458%0.57521%0.213SC*.SBendtrans-73.8-22.1177.865.8-108.3000113.4I134 G168 N171I134-F162 HydrophobicContact CD1-CZ 4.47Å; F162-G168 WeakPolarHBondContact CD1-O 3.34Å; F162-G168 WeakPolarHBondContact CE1-O 3.35Å; F162-G168 VanDerWaalsContact CZ-CA 3.5Å; F162-N171 HydrophobicContact CE1-CB 3.91Å; F162-N171 HydrophobicContact CZ-CB 4Å
163D88.7Confident91.6Very high76 Ų7640.1 Ų40.141%0.40622%0.224SC..SBendtrans-1112.4176.870.3-4.4000113.1S161 G165 Q167 G168S161-D163 VanDerWaalsContact C-N 3.31Å; S161-D163 PolarHBondContact OG-OD1 2.92Å; D163-G165 PolarHBondContact O-N 2.94Å; D163-G165 WeakPolarHBondContact OD1-CA 3.39Å; D163-G165 PolarHBondContact OD1-N 3.32Å; D163-Q167 WeakPolarHBondContact OD2-CB 3.39Å; D163-G168 VanDerWaalsContact CG-N 3.33Å; D163-G168 VanDerWaalsContact OD1-CA 3.25Å; D163-G168 WeakPolarHBondContact OD1-CA 3.48Å; D163-G168 PolarHBondContact OD1-N 2.92Å; D163-G168 PolarHBondContact OD2-N 3.32Å; D163-G168 VanDerWaalsContact OD2-N 3.16Å
164G85.9Confident91.9Very high26 Ų2640.3 Ų40.327%0.26822%0.224SC..SBendtrans76.3-4.1-175.600000114.7L83 S161L83-G164 WeakPolarHBondContact CD2-O 3.32Å; S161-G164 PolarHBondContact OG-N 2.84Å
165G88.3Confident92.1Very high18 Ų1844.3 Ų44.319%0.18623%0.231CC..SBendtrans-113.9-175.2-177.500000113.8S161 D163 Q167S161-G165 VanDerWaalsContact CB-O 3.3Å; S161-G165 WeakPolarHBondContact CB-O 3.45Å; S161-G165 PolarHBondContact OG-N 3.26Å; S161-G165 PolarHBondContact OG-O 3.25Å; D163-G165 PolarHBondContact O-N 2.94Å; D163-G165 WeakPolarHBondContact OD1-CA 3.39Å; D163-G165 PolarHBondContact OD1-N 3.32Å; G165-Q167 VanDerWaalsContact C-N 3.34Å
166D92.6Very high92.3Very high27 Ų2747.1 Ų47.114%0.14424%0.244CC..Hα-helixtrans-69.7-31.2174.760.5-81.7000112.7T86 K89 S137 G168 I169 L170T86-D166 VanDerWaalsContact CG2-CA 3.42Å; T86-D166 HydrophobicContact CG2-CB 3.77Å; T86-D166 PolarHBondContact OG1-N 3.12Å; K89-D166 HydrophobicContact CD-CB 4.06Å; K89-D166 WeakPolarHBondContact CE-OD2 3.47Å; K89-D166 IonicContact NZ-OD1 3.47Å; K89-D166 IonicContact NZ-OD2 3.32Å; K89-D166 PolarHBondContact NZ-OD2 2.67Å; S137-D166 WeakPolarHBondContact CB-OD2 3.31Å; S137-D166 PolarHBondContact OG-OD2 3.49Å; D166-G168 VanDerWaalsContact C-N 3.3Å; D166-G168 PolarHBondContact O-N 2.94Å; D166-I169 PolarHBondContact O-N 2.84Å; D166-L170 WeakPolarHBondContact O-CB 3.47Å; D166-L170 VanDerWaalsContact O-CG 3.28Å; D166-L170 WeakPolarHBondContact O-CG 3.39Å; D166-L170 PolarHBondContact O-N 3.33Å
167Q95.1Very high92.7Very high29 Ų2947.3 Ų47.314%0.13624%0.244CC..Hα-helixtrans-59.2-43178-177165-6600111.3D128 N136 S137 D163 G165 L170 N171D128-Q167 PolarHBondContact OD2-NE2 3.39Å; N136-Q167 VanDerWaalsContact CA-OE1 3.26Å; N136-Q167 PolarHBondContact ND2-OE1 3.43Å; S137-Q167 VanDerWaalsContact N-OE1 3.17Å; S137-Q167 WeakPolarHBondContact OG-CA 3.45Å; S137-Q167 VanDerWaalsContact OG-CB 3.3Å; S137-Q167 WeakPolarHBondContact OG-CB 3.42Å; D163-Q167 WeakPolarHBondContact OD2-CB 3.39Å; G165-Q167 VanDerWaalsContact C-N 3.34Å; Q167-L170 PolarHBondContact O-N 2.99Å; Q167-N171 WeakPolarHBondContact CG-ND2 3.44Å; Q167-N171 WeakPolarHBondContact O-CB 3.18Å; Q167-N171 PolarHBondContact O-N 3.44Å; Q167-N171 PolarHBondContact O-ND2 3.29Å
168G94.8Very high93.1Very high0 Ų047.4 Ų47.40%025%0.245CC..Hα-helixtrans-65.5-43.7176.900000113.7S161 F162 D163 D166 A172S161-G168 WeakPolarHBondContact OG-CA 3.37Å; F162-G168 WeakPolarHBondContact CD1-O 3.34Å; F162-G168 WeakPolarHBondContact CE1-O 3.35Å; F162-G168 VanDerWaalsContact CZ-CA 3.5Å; D163-G168 VanDerWaalsContact CG-N 3.33Å; D163-G168 VanDerWaalsContact OD1-CA 3.25Å; D163-G168 WeakPolarHBondContact OD1-CA 3.48Å; D163-G168 PolarHBondContact OD1-N 2.92Å; D163-G168 PolarHBondContact OD2-N 3.32Å; D163-G168 VanDerWaalsContact OD2-N 3.16Å; D166-G168 VanDerWaalsContact C-N 3.3Å; D166-G168 PolarHBondContact O-N 2.94Å; G168-A172 WeakPolarHBondContact O-CB 3.2Å; G168-A172 PolarHBondContact O-N 2.96Å
169I94.9Very high93.4Very high0 Ų047.5 Ų47.50%025%0.246CC..Hα-helixtrans-62.8-46.7175.3-80155.9000111.1L83 T86 L90 I152 M155 A156 S161 D166 A172 Y173L83-I169 HydrophobicContact CD2-CD1 4.23Å; T86-I169 HydrophobicContact CG2-CD1 3.45Å; T86-I169 VanDerWaalsContact CG2-CD1 3.45Å; L90-I169 HydrophobicContact CD1-CG2 4.23Å; I152-I169 HydrophobicContact CG2-CG2 3.55Å; M155-I169 HydrophobicContact CE-CG2 4.24Å; M155-I169 VanDerWaalsContact CE-O 3.31Å; M155-I169 WeakPolarHBondContact CE-O 3.43Å; A156-I169 HydrophobicContact CB-CD1 3.65Å; A156-I169 HydrophobicContact CB-CG1 3.81Å; A156-I169 HydrophobicContact CB-CG2 4.03Å; S161-I169 PolarHBondContact OG-N 3.47Å; D166-I169 PolarHBondContact O-N 2.84Å; I169-A172 PolarHBondContact O-N 2.85Å; I169-Y173 PolarHBondContact O-N 3.16Å
170L97.5Very high93.7Very high1 Ų145.2 Ų45.21%0.00523%0.233CC..Hα-helixtrans-67.7-39.6-177.2-68.7175.6000111.7L90 W93 F135 F140 I152 D166 Q167 Y173 F174L90-L170 HydrophobicContact CD2-CD2 3.81Å; L90-L170 HydrophobicContact CD2-CG 4.36Å; W93-L170 HydrophobicContact CH2-CD1 4.41Å; W93-L170 HydrophobicContact CH2-CD2 3.45Å; W93-L170 VanDerWaalsContact CH2-CD2 3.45Å; W93-L170 HydrophobicContact CZ2-CD2 4.44Å; W93-L170 HydrophobicContact CZ3-CD2 3.69Å; F135-L170 HydrophobicContact CE2-CB 3.85Å; F135-L170 VanDerWaalsContact CZ-C 3.49Å; F135-L170 HydrophobicContact CZ-CB 3.81Å; F135-L170 WeakPolarHBondContact CZ-O 3.38Å; F140-L170 HydrophobicContact CE1-CD1 4.05Å; F140-L170 HydrophobicContact CZ-CD1 4.22Å; I152-L170 HydrophobicContact CD1-CD2 4.41Å; D166-L170 WeakPolarHBondContact O-CB 3.47Å; D166-L170 VanDerWaalsContact O-CG 3.28Å; D166-L170 WeakPolarHBondContact O-CG 3.39Å; D166-L170 PolarHBondContact O-N 3.33Å; Q167-L170 PolarHBondContact O-N 2.99Å; L170-Y173 PolarHBondContact O-N 3.01Å; L170-F174 HydrophobicContact CD2-CD2 4.34Å; L170-F174 HydrophobicContact CD2-CE2 4.08Å; L170-F174 WeakPolarHBondContact O-CB 3.41Å; L170-F174 WeakPolarHBondContact O-CD2 3.42Å; L170-F174 PolarHBondContact O-N 2.79Å
171N98Very high94Very high13 Ų1345.8 Ų45.87%0.0724%0.24CC..Hα-helixtrans-68.4-33.8175.7-83-81.4000112.6I134 F135 F162 Q167 F174 Y175I134-N171 WeakPolarHBondContact CA-OD1 3.33Å; I134-N171 HydrophobicContact CB-CB 4.48Å; I134-N171 WeakPolarHBondContact CB-OD1 3.3Å; I134-N171 HydrophobicContact CG2-CB 4.31Å; F135-N171 WeakPolarHBondContact CD1-OD1 3.42Å; F135-N171 HydrophobicContact CE1-CB 4.36Å; F135-N171 VanDerWaalsContact CE1-OD1 3.26Å; F135-N171 WeakPolarHBondContact CE1-OD1 3.4Å; F135-N171 HydrophobicContact CZ-CB 4.49Å; F135-N171 PolarHBondContact N-OD1 3.37Å; F135-N171 PolarHBondContact O-ND2 2.99Å; F162-N171 HydrophobicContact CE1-CB 3.91Å; F162-N171 HydrophobicContact CZ-CB 4Å; Q167-N171 WeakPolarHBondContact CG-ND2 3.44Å; Q167-N171 WeakPolarHBondContact O-CB 3.18Å; Q167-N171 PolarHBondContact O-N 3.44Å; Q167-N171 PolarHBondContact O-ND2 3.29Å; N171-F174 CarbonylContact O-C 3.15Å; N171-Y175 VanDerWaalsContact O-CA 3.26Å; N171-Y175 WeakPolarHBondContact O-CA 3.5Å; N171-Y175 PolarHBondContact O-N 3.14Å
172A96.8Very high94.2Very high35 Ų3550.7 Ų50.729%0.28927%0.271SS..Hα-helixtrans-67.6-43.4173.800000111.7M155 G168 I169M155-A172 HydrophobicContact CE-CB 3.61Å; M155-A172 HydrophobicContact SD-CB 4.17Å; G168-A172 WeakPolarHBondContact O-CB 3.2Å; G168-A172 PolarHBondContact O-N 2.96Å; I169-A172 PolarHBondContact O-N 2.85Å
173Y97.7Very high94.4Very high57 Ų5748.5 Ų48.522%0.22427%0.269CS..Hα-helixtrans-71.2-45.7179.8-175-99.5000112.4T148 N151 I152 M155 I169 L170 Y175T148-Y173 HydrophobicContact CG2-CE1 4Å; N151-Y173 HydrophobicContact CB-CE2 3.63Å; N151-Y173 WeakPolarHBondContact CB-OH 3.44Å; I152-Y173 HydrophobicContact CD1-CD1 4.13Å; I152-Y173 HydrophobicContact CD1-CE1 4.21Å; I152-Y173 HydrophobicContact CG1-CD1 3.5Å; I152-Y173 VanDerWaalsContact CG1-CD1 3.5Å; I152-Y173 HydrophobicContact CG1-CD2 3.89Å; I152-Y173 HydrophobicContact CG1-CE1 3.64Å; I152-Y173 HydrophobicContact CG1-CE2 4.03Å; I152-Y173 HydrophobicContact CG1-CG 3.62Å; M155-Y173 WeakPolarHBondContact SD-CA 3.33Å; M155-Y173 HydrophobicContact SD-CD2 3.93Å; M155-Y173 HydrophobicContact SD-CG 4.32Å; I169-Y173 PolarHBondContact O-N 3.16Å; L170-Y173 PolarHBondContact O-N 3.01Å; Y173-Y175 VanDerWaalsContact C-N 3.3Å; Y173-Y175 PolarHBondContact O-N 3.06Å
174F97.8Very high94.9Very high15 Ų1545.9 Ų45.97%0.06625%0.254CS..THydrogen-bonded Turntrans-95.242.8177.8-62.1-73.7000111.8W93 E122 L123 F135 T148 I152 L170 N171 E176 W177W93-F174 HydrophobicContact CH2-CE2 4.04Å; W93-F174 AromaticContact CZ2-CE2 3.63Å; W93-F174 HydrophobicContact CZ2-CE2 3.63Å; W93-F174 AromaticContact CZ2-CZ 3.75Å; W93-F174 HydrophobicContact CZ2-CZ 3.75Å; E122-F174 HydrophobicContact CG-CE1 4.14Å; E122-F174 HydrophobicContact CG-CZ 4.37Å; L123-F174 HydrophobicContact CB-CB 4.22Å; L123-F174 HydrophobicContact CB-CD1 3.62Å; L123-F174 HydrophobicContact CB-CD2 4.1Å; L123-F174 HydrophobicContact CB-CE1 3.9Å; L123-F174 HydrophobicContact CB-CE2 4.35Å; L123-F174 HydrophobicContact CB-CG 3.73Å; L123-F174 HydrophobicContact CB-CZ 4.25Å; L123-F174 HydrophobicContact CD2-CE2 4.48Å; L123-F174 HydrophobicContact CG-CB 4.27Å; L123-F174 HydrophobicContact CG-CD1 4.28Å; L123-F174 HydrophobicContact CG-CD2 3.82Å; L123-F174 HydrophobicContact CG-CE2 4.17Å; L123-F174 HydrophobicContact CG-CG 3.88Å; F135-F174 HydrophobicContact CE1-CB 4.03Å; F135-F174 HydrophobicContact CZ-CB 4.2Å; F135-F174 HydrophobicContact CZ-CD2 4.49Å; T148-F174 HydrophobicContact CG2-CZ 4.26Å; I152-F174 HydrophobicContact CD1-CE2 4.24Å; I152-F174 HydrophobicContact CD1-CZ 4.44Å; L170-F174 HydrophobicContact CD2-CD2 4.34Å; L170-F174 HydrophobicContact CD2-CE2 4.08Å; L170-F174 WeakPolarHBondContact O-CB 3.41Å; L170-F174 WeakPolarHBondContact O-CD2 3.42Å; L170-F174 PolarHBondContact O-N 2.79Å; N171-F174 CarbonylContact O-C 3.15Å; F174-E176 PolarHBondContact O-N 2.86Å; F174-W177 VanDerWaalsContact O-CB 3.26Å; F174-W177 WeakPolarHBondContact O-CB 3.1Å; F174-W177 PolarHBondContact O-N 3.42Å
175Y96.2Very high95.4Very high168 Ų16849.9 Ų49.966%0.65926%0.261SS*.G310 helixtrans-56.5-26.5-17772-89.4000113.7N171 Y173 W177N171-Y175 VanDerWaalsContact O-CA 3.26Å; N171-Y175 WeakPolarHBondContact O-CA 3.5Å; N171-Y175 PolarHBondContact O-N 3.14Å; Y173-Y175 VanDerWaalsContact C-N 3.3Å; Y173-Y175 PolarHBondContact O-N 3.06Å; Y175-W177 PolarHBondContact O-N 3.43Å
176E96.7Very high95.8Very high82 Ų8249.1 Ų49.138%0.38325%0.252SS..G310 helixtrans-75.4-4.1176.5-57.9-174.3119.400113.8F174 L178 T179 K180F174-E176 PolarHBondContact O-N 2.86Å; E176-L178 PolarHBondContact O-N 3.08Å; E176-L178 VanDerWaalsContact O-N 3.14Å; E176-T179 CarbonylContact O-C 3.59Å; E176-T179 PolarHBondContact O-N 3.41Å; E176-T179 PolarHBondContact O-OG1 3.3Å; E176-K180 HydrophobicContact CB-CD 4.18Å; E176-K180 HydrophobicContact CB-CG 4Å; E176-K180 WeakPolarHBondContact O-CB 3.35Å; E176-K180 WeakPolarHBondContact O-CG 3.42Å; E176-K180 PolarHBondContact O-N 3.24Å; E176-K180 WeakPolarHBondContact OE2-CE 3.47Å; E176-K180 IonicContact OE2-NZ 3.03Å
177W97.7Very high96Very high5 Ų550.5 Ų50.52%0.01926%0.263CS..G310 helixtrans-50.5-40.9179168.881.7000112A125 P127 F135 F174 Y175 T179 H184 R185A125-W177 PolarHBondContact O-NE1 3.32Å; P127-W177 HydrophobicContact CB-CH2 4.13Å; F135-W177 HydrophobicContact CB-CD2 3.86Å; F135-W177 HydrophobicContact CB-CE3 4.11Å; F135-W177 HydrophobicContact CB-CG 4.46Å; F135-W177 HydrophobicContact CB-CH2 4Å; F135-W177 HydrophobicContact CB-CZ2 3.75Å; F135-W177 HydrophobicContact CB-CZ3 4.18Å; F135-W177 HydrophobicContact CD1-CB 3.76Å; F135-W177 AromaticContact CD1-CD1 3.96Å; F135-W177 AromaticContact CD1-CD2 3.56Å; F135-W177 HydrophobicContact CD1-CD2 3.56Å; F135-W177 AromaticContact CD1-CE3 3.91Å; F135-W177 HydrophobicContact CD1-CE3 3.91Å; F135-W177 AromaticContact CD1-CG 3.46Å; F135-W177 HydrophobicContact CD1-CG 3.46Å; F135-W177 VanDerWaalsContact CD1-CG 3.46Å; F135-W177 HydrophobicContact CE1-CB 3.91Å; F135-W177 HydrophobicContact CE1-CG 4.08Å; F135-W177 HydrophobicContact CG-CD2 4.17Å; F135-W177 HydrophobicContact CG-CG 4.32Å; F174-W177 VanDerWaalsContact O-CB 3.26Å; F174-W177 WeakPolarHBondContact O-CB 3.1Å; F174-W177 PolarHBondContact O-N 3.42Å; Y175-W177 PolarHBondContact O-N 3.43Å; W177-T179 VanDerWaalsContact C-N 3.34Å; W177-T179 PolarHBondContact O-N 3.08Å; W177-H184 PolarHBondContact NE1-O 3.33Å; W177-R185 HydrophobicContact CZ2-CG 4.06Å
178L93.2Very high95.9Very high51 Ų5151.7 Ų51.727%0.26727%0.268SS..G310 helixtrans-64.4-37.9178.1-170.870.2000112.1D133 E176 R185D133-L178 HydrophobicContact CB-CD1 4.23Å; D133-L178 HydrophobicContact CB-CD2 4.11Å; E176-L178 PolarHBondContact O-N 3.08Å; E176-L178 VanDerWaalsContact O-N 3.14Å; L178-R185 PolarHBondContact O-NH2 3.04Å
179T95.6Very high95.9Very high110 Ų11053.1 Ų53.168%0.67528%0.277SS*.THydrogen-bonded Turntrans-98.6-16.2-170.654.80000114.4E176 W177 G181E176-T179 CarbonylContact O-C 3.59Å; E176-T179 PolarHBondContact O-N 3.41Å; E176-T179 PolarHBondContact O-OG1 3.3Å; W177-T179 VanDerWaalsContact C-N 3.34Å; W177-T179 PolarHBondContact O-N 3.08Å; T179-G181 PolarHBondContact O-N 2.82Å; T179-G181 VanDerWaalsContact O-N 3.14Å
180K94.5Very high96.1Very high87 Ų8754 Ų5438%0.37828%0.28SS..SBendtrans-66-11177.5-81.3179.6175.3178.50114.6E176 H184E176-K180 HydrophobicContact CB-CD 4.18Å; E176-K180 HydrophobicContact CB-CG 4Å; E176-K180 WeakPolarHBondContact O-CB 3.35Å; E176-K180 WeakPolarHBondContact O-CG 3.42Å; E176-K180 PolarHBondContact O-N 3.24Å; E176-K180 WeakPolarHBondContact OE2-CE 3.47Å; E176-K180 IonicContact OE2-NZ 3.03Å; K180-H184 HydrophobicContact CB-CB 4.44Å
181G91Very high96Very high21 Ų2154.1 Ų54.122%0.21628%0.281CS..  trans100.8-180172.400000114.3T179 T183 H184T179-G181 PolarHBondContact O-N 2.82Å; T179-G181 VanDerWaalsContact O-N 3.14Å; G181-T183 PolarHBondContact O-N 3.27Å; G181-H184 PolarHBondContact O-N 3.24Å
182P94.4Very high95.7Very high112 Ų11253.6 Ų53.673%0.72728%0.278SS*.G310 helixtrans-66.3-22.1-16825.8-34.9000113.9H184 R185P182-H184 PolarHBondContact O-N 3.17Å; P182-R185 PolarHBondContact O-N 3.31Å; P182-R185 VanDerWaalsContact O-N 3.13Å
183T95.6Very high95.1Very high85 Ų8552 Ų5252%0.52127%0.265SS..G310 helixtrans-67.8-14.117851.50000113.5Y120 P121 S124 G181Y120-T183 WeakPolarHBondContact CD1-O 3.44Å; P121-T183 WeakPolarHBondContact CD-O 3.37Å; S124-T183 PolarHBondContact OG-O 3.23Å; G181-T183 PolarHBondContact O-N 3.27Å
184H97.7Very high93.9Very high21 Ų2150.4 Ų50.410%0.09726%0.262CS..G310 helixtrans-98.2-6.5174.9-69.9-95.8000113.2P121 E122 L123 S124 A125 W177 K180 G181 P182P121-H184 WeakPolarHBondContact CG-CE1 3.3Å; P121-H184 WeakPolarHBondContact CG-NE2 3.36Å; E122-H184 PolarHBondContact O-CE1 3.06Å; L123-H184 PolarHBondContact O-ND1 3.49Å; S124-H184 VanDerWaalsContact CA-O 3.24Å; S124-H184 WeakPolarHBondContact CA-O 3.21Å; S124-H184 WeakPolarHBondContact OG-CA 3.43Å; A125-H184 PolarHBondContact N-O 2.81Å; A125-H184 VanDerWaalsContact N-O 3.17Å; W177-H184 PolarHBondContact NE1-O 3.33Å; K180-H184 HydrophobicContact CB-CB 4.44Å; G181-H184 PolarHBondContact O-N 3.24Å; P182-H184 PolarHBondContact O-N 3.17Å
185R96.9Very high92.4Very high110 Ų11050.4 Ų50.442%0.41526%0.264SS..BIsolated β-bridgetrans-100.3101.2-175.5-61.3-170.1-176.5-160.15.6109.6W177 L178 P182W177-R185 HydrophobicContact CZ2-CG 4.06Å; L178-R185 PolarHBondContact O-NH2 3.04Å; P182-R185 PolarHBondContact O-N 3.31Å; P182-R185 VanDerWaalsContact O-N 3.13Å
186L97.7Very high90.3Very high2 Ų245.7 Ų45.71%0.0126%0.26CS..  trans-65.3136.2173.2-58.5-175.8000109.3L117 Y120 A125 A126 V141 Y190L117-L186 HydrophobicContact CD2-CD1 3.93Å; L117-L186 HydrophobicContact CD2-CD2 3.64Å; L117-L186 HydrophobicContact CD2-CG 4.35Å; Y120-L186 HydrophobicContact CD1-CD2 3.41Å; Y120-L186 VanDerWaalsContact CD1-CD2 3.41Å; Y120-L186 HydrophobicContact CD2-CD2 4.01Å; Y120-L186 HydrophobicContact CE1-CD2 3.54Å; Y120-L186 HydrophobicContact CE2-CD2 4.09Å; Y120-L186 HydrophobicContact CG-CD2 3.68Å; A125-L186 PolarHBondContact O-N 3.22Å; A126-L186 HydrophobicContact CB-CB 4.22Å; V141-L186 HydrophobicContact CG2-CD1 4.38Å; L186-Y190 HydrophobicContact CB-CD2 4.42Å
187P96Very high88.3Confident57 Ų5748.3 Ų48.337%0.3728%0.276SS..  trans-52.8142.4167.1-29.536000111.9V189 Y190P187-V189 HydrophobicContact CB-CG2 3.84Å; P187-V189 PolarHBondContact O-N 2.76Å; P187-Y190 HydrophobicContact CB-CD2 3.92Å; P187-Y190 HydrophobicContact CB-CE2 4.05Å; P187-Y190 HydrophobicContact CG-CD2 4.08Å; P187-Y190 HydrophobicContact CG-CE2 3.86Å; P187-Y190 WeakPolarHBondContact O-CD2 3.38Å; P187-Y190 PolarHBondContact O-N 2.74Å
188F94.1Very high86.6Confident54 Ų5450.5 Ų50.524%0.23728%0.284CS..G310 helixtrans-53.9-25.6-179.1-176.5-113.1000114.1I129 Y190 N191 T192 A193 Y198I129-F188 HydrophobicContact CG2-CE2 3.38Å; I129-F188 HydrophobicContact CG2-CZ 3.66Å; F188-Y190 PolarHBondContact O-N 2.98Å; F188-Y190 VanDerWaalsContact O-N 3.16Å; F188-N191 CarbonylContact O-C 3.48Å; F188-N191 PolarHBondContact O-N 3.22Å; F188-T192 HydrophobicContact CD1-CG2 4.49Å; F188-T192 HydrophobicContact CE1-CG2 3.84Å; F188-T192 HydrophobicContact CZ-CG2 4.29Å; F188-T192 WeakPolarHBondContact O-CA 3.49Å; F188-T192 PolarHBondContact O-N 3.21Å; F188-T192 VanDerWaalsContact O-N 3.14Å; F188-T192 PolarHBondContact O-OG1 3.31Å; F188-A193 HydrophobicContact CZ-CB 4.37Å; F188-Y198 HydrophobicContact CE1-CD2 4.42Å; F188-Y198 AromaticContact CE1-CE2 3.85Å; F188-Y198 HydrophobicContact CE1-CE2 3.85Å; F188-Y198 HydrophobicContact CZ-CD2 4.09Å; F188-Y198 AromaticContact CZ-CE2 3.9Å; F188-Y198 HydrophobicContact CZ-CE2 3.9Å
189V94.5Very high85.2Confident30 Ų3053.9 Ų53.918%0.18231%0.307CS..G310 helixtrans-62.3-18.3176.3-64.20000114.4P187 T192 D210 K212 I213P187-V189 HydrophobicContact CB-CG2 3.84Å; P187-V189 PolarHBondContact O-N 2.76Å; V189-T192 WeakPolarHBondContact CA-OG1 3.49Å; V189-D210 WeakPolarHBondContact CB-O 3.05Å; V189-D210 HydrophobicContact CG1-CB 4.19Å; V189-D210 WeakPolarHBondContact CG1-O 3.22Å; V189-K212 WeakPolarHBondContact O-CA 3.47Å; V189-K212 PolarHBondContact O-N 2.87Å; V189-I213 PolarHBondContact O-N 3.45Å
190Y97.5Very high84.1Confident18 Ų1855.9 Ų55.97%0.07130%0.303CS..G310 helixtrans-90.3-2.1175.4-63.5-75.5000113.7E116 L117 V139 L186 P187 F188 K212 I213E116-Y190 WeakPolarHBondContact CG-OH 3.34Å; E116-Y190 WeakPolarHBondContact OE1-CE1 3.11Å; E116-Y190 PolarHBondContact OE1-OH 2.78Å; L117-Y190 HydrophobicContact CD1-CD1 3.84Å; L117-Y190 HydrophobicContact CD1-CE1 4.45Å; L117-Y190 HydrophobicContact CD1-CG 4.36Å; L117-Y190 HydrophobicContact CD2-CD1 3.64Å; L117-Y190 HydrophobicContact CD2-CD2 4.07Å; L117-Y190 HydrophobicContact CD2-CE1 3.84Å; L117-Y190 HydrophobicContact CD2-CE2 4.27Å; L117-Y190 HydrophobicContact CD2-CG 3.76Å; L117-Y190 HydrophobicContact CG-CD1 3.82Å; L117-Y190 HydrophobicContact CG-CE1 3.97Å; L117-Y190 HydrophobicContact CG-CG 4.4Å; V139-Y190 WeakPolarHBondContact CG2-O 3.05Å; L186-Y190 HydrophobicContact CB-CD2 4.42Å; P187-Y190 HydrophobicContact CB-CD2 3.92Å; P187-Y190 HydrophobicContact CB-CE2 4.05Å; P187-Y190 HydrophobicContact CG-CD2 4.08Å; P187-Y190 HydrophobicContact CG-CE2 3.86Å; P187-Y190 WeakPolarHBondContact O-CD2 3.38Å; P187-Y190 PolarHBondContact O-N 2.74Å; F188-Y190 PolarHBondContact O-N 2.98Å; F188-Y190 VanDerWaalsContact O-N 3.16Å; Y190-K212 HydrophobicContact CD1-CB 4.11Å; Y190-K212 HydrophobicContact CD1-CD 3.89Å; Y190-K212 HydrophobicContact CE1-CB 4.32Å; Y190-K212 HydrophobicContact CE1-CD 3.26Å; Y190-K212 HydrophobicContact CE1-CG 4.34Å; Y190-K212 PolarHBondContact OH-NZ 2.95Å; Y190-I213 WeakPolarHBondContact O-CB 3.27Å
191N96.4Very high83.2Confident4 Ų454.6 Ų54.62%0.02130%0.3CS..SBendtrans-156.159.2173.3-167-6.5000109.3A126 N136 V139 F188 A193 H215A126-N191 HydrophobicContact CB-CB 3.6Å; N136-N191 WeakPolarHBondContact CB-ND2 3.49Å; N136-N191 PolarHBondContact OD1-ND2 3.06Å; V139-N191 HydrophobicContact CB-CB 4.07Å; V139-N191 HydrophobicContact CG2-CB 4.11Å; V139-N191 PolarHBondContact N-ND2 3.39Å; F188-N191 CarbonylContact O-C 3.48Å; F188-N191 PolarHBondContact O-N 3.22Å; N191-A193 PolarHBondContact O-N 3.46Å; N191-H215 WeakPolarHBondContact OD1-CB 3.3Å; N191-H215 PolarHBondContact OD1-ND1 3.29Å
192T91.1Very high82.6Confident1 Ų156.5 Ų56.51%0.00631%0.314CS..EExtended strand (participates in β ladder)trans-78.3106.6-175-620000109.8F188 V189 S194 L204 V211 I213 V214 H215 W240F188-T192 HydrophobicContact CD1-CG2 4.49Å; F188-T192 HydrophobicContact CE1-CG2 3.84Å; F188-T192 HydrophobicContact CZ-CG2 4.29Å; F188-T192 WeakPolarHBondContact O-CA 3.49Å; F188-T192 PolarHBondContact O-N 3.21Å; F188-T192 VanDerWaalsContact O-N 3.14Å; F188-T192 PolarHBondContact O-OG1 3.31Å; V189-T192 WeakPolarHBondContact CA-OG1 3.49Å; T192-S194 PolarHBondContact O-N 2.92Å; T192-L204 HydrophobicContact CG2-CD1 4.42Å; T192-V211 HydrophobicContact CG2-CG1 4.36Å; T192-V211 HydrophobicContact CG2-CG2 4.05Å; T192-I213 WeakPolarHBondContact CB-O 3.43Å; T192-I213 PolarHBondContact N-O 2.95Å; T192-V214 WeakPolarHBondContact O-CA 3.32Å; T192-H215 PolarHBondContact O-N 2.74Å; T192-W240 HydrophobicContact CG2-CH2 4.45Å
193A85.8Confident81.9Confident3 Ų351.9 Ų51.93%0.02529%0.285CS..EExtended strand (participates in β ladder)trans-59.1123.2174.300000111.5I129 F188 N191 L217I129-A193 HydrophobicContact CD1-CB 3.77Å; I129-A193 HydrophobicContact CG1-CB 4.32Å; I129-A193 HydrophobicContact CG2-CB 3.85Å; F188-A193 HydrophobicContact CZ-CB 4.37Å; N191-A193 PolarHBondContact O-N 3.46Å; A193-L217 HydrophobicContact CB-CD1 3.58Å; A193-L217 HydrophobicContact CB-CG 4.34Å
194S72Confident81Confident22 Ų2249.8 Ų49.815%0.15427%0.271CS..  trans-9613.7176.180.20000113.7T192 H215 F216T192-S194 PolarHBondContact O-N 2.92Å; S194-H215 PolarHBondContact N-O 3.33Å; S194-H215 PolarHBondContact OG-O 3.14Å; S194-F216 WeakPolarHBondContact OG-CA 3.45Å; S194-F216 WeakPolarHBondContact OG-CD1 3.48Å
195S65.3Low80Confident15 Ų1554.7 Ų54.711%0.10529%0.288CS..SBendtrans-73.7157.2-176.157.60000111.9L197 Y198S195-L197 PolarHBondContact O-N 3.19Å; S195-L197 VanDerWaalsContact O-N 3.1Å; S195-Y198 PolarHBondContact O-N 2.91Å
196A53Low79.3Confident69 Ų6958.3 Ų58.357%0.5730%0.302SS*.THydrogen-bonded Turntrans-57.9-18.7168.700000112.9Y198A196-Y198 VanDerWaalsContact C-N 3.29Å; A196-Y198 PolarHBondContact O-N 2.82Å
197L54.8Low78.8Confident138 Ų13863.7 Ų63.772%0.72333%0.325SS*.THydrogen-bonded Turntrans-70.8-22.9174.6-65.3169.2000112.7I129 S195 T199I129-L197 HydrophobicContact CD1-CB 4.14Å; S195-L197 PolarHBondContact O-N 3.19Å; S195-L197 VanDerWaalsContact O-N 3.1Å; L197-T199 VanDerWaalsContact C-N 3.34Å; L197-T199 PolarHBondContact O-N 3.05Å
198Y62.3Low78Confident50 Ų5061.8 Ų61.820%0.19632%0.316CS..  trans-76.691.5173.4-172.2-102.4000109.8I129 F188 S195 A196 Y200 A203 L204I129-Y198 HydrophobicContact CG2-CD2 4.24Å; F188-Y198 HydrophobicContact CE1-CD2 4.42Å; F188-Y198 AromaticContact CE1-CE2 3.85Å; F188-Y198 HydrophobicContact CE1-CE2 3.85Å; F188-Y198 HydrophobicContact CZ-CD2 4.09Å; F188-Y198 AromaticContact CZ-CE2 3.9Å; F188-Y198 HydrophobicContact CZ-CE2 3.9Å; S195-Y198 PolarHBondContact O-N 2.91Å; A196-Y198 VanDerWaalsContact C-N 3.29Å; A196-Y198 PolarHBondContact O-N 2.82Å; Y198-Y200 VanDerWaalsContact C-N 3.33Å; Y198-Y200 WeakPolarHBondContact CE1-O 3.48Å; Y198-A203 WeakPolarHBondContact OH-CB 3.48Å; Y198-L204 HydrophobicContact CD1-CD1 4.41Å; Y198-L204 HydrophobicContact CE1-CB 4.15Å; Y198-L204 HydrophobicContact CE1-CD1 3.93Å
199T63.2Low77.7Confident123 Ų12367 Ų6776%0.75534%0.338SS*.  trans-83-8.3-174.252.90000113.5L197 I201L197-T199 VanDerWaalsContact C-N 3.34Å; L197-T199 PolarHBondContact O-N 3.05Å; T199-I201 VanDerWaalsContact C-N 3.32Å; T199-I201 PolarHBondContact O-N 3.47Å
200Y73.3Confident77.6Confident151 Ų15169 Ų6959%0.59235%0.348SS*.  trans-89.463.2-171.7-156.9-176000114.1Y198 A202 A203 L204Y198-Y200 VanDerWaalsContact C-N 3.33Å; Y198-Y200 WeakPolarHBondContact CE1-O 3.48Å; Y200-A202 HydrophobicContact CD2-CB 4.1Å; Y200-A202 HydrophobicContact CE2-CB 3.8Å; Y200-A202 PolarHBondContact O-N 3.19Å; Y200-A202 VanDerWaalsContact O-N 3.14Å; Y200-A203 HydrophobicContact CD1-CB 3.67Å; Y200-A203 HydrophobicContact CD2-CB 4.25Å; Y200-A203 HydrophobicContact CE1-CB 3.98Å; Y200-A203 HydrophobicContact CG-CB 3.82Å; Y200-A203 PolarHBondContact O-N 3.01Å; Y200-A203 VanDerWaalsContact O-N 3.1Å; Y200-L204 PolarHBondContact O-N 2.86Å
201I74.9Confident77.2Confident61 Ų6168.5 Ų68.531%0.31335%0.347SS..Hα-helixtrans-54.5-34.5-178.4-68.5172.3000113.1T199 L204 R205T199-I201 VanDerWaalsContact C-N 3.32Å; T199-I201 PolarHBondContact O-N 3.47Å; I201-L204 WeakPolarHBondContact O-CB 3.21Å; I201-L204 PolarHBondContact O-N 3.17Å; I201-R205 WeakPolarHBondContact O-CD 3.44Å; I201-R205 WeakPolarHBondContact O-CG 3.44Å; I201-R205 PolarHBondContact O-N 2.94Å
202A77.4Confident77.1Confident61 Ų6170.4 Ų70.450%0.50436%0.355SS..Hα-helixtrans-64.2-42.6179.100000112.3Y200 L204 R205 R206Y200-A202 HydrophobicContact CD2-CB 4.1Å; Y200-A202 HydrophobicContact CE2-CB 3.8Å; Y200-A202 PolarHBondContact O-N 3.19Å; Y200-A202 VanDerWaalsContact O-N 3.14Å; A202-L204 VanDerWaalsContact C-N 3.33Å; A202-R205 PolarHBondContact O-N 3.37Å; A202-R206 WeakPolarHBondContact O-CB 3.29Å; A202-R206 PolarHBondContact O-N 2.98Å; A202-R206 VanDerWaalsContact O-N 3.12Å
203A79.7Confident77.3Confident14 Ų1470.4 Ų70.412%0.11636%0.355CS..Hα-helixtrans-64.3-41.5173.600000110.7Y198 Y200 R205 R206 F207Y198-A203 WeakPolarHBondContact OH-CB 3.48Å; Y200-A203 HydrophobicContact CD1-CB 3.67Å; Y200-A203 HydrophobicContact CD2-CB 4.25Å; Y200-A203 HydrophobicContact CE1-CB 3.98Å; Y200-A203 HydrophobicContact CG-CB 3.82Å; Y200-A203 PolarHBondContact O-N 3.01Å; Y200-A203 VanDerWaalsContact O-N 3.1Å; A203-R205 VanDerWaalsContact C-N 3.31Å; A203-R205 PolarHBondContact O-N 3.19Å; A203-R206 PolarHBondContact O-N 3.49Å; A203-R206 VanDerWaalsContact O-N 3.16Å; A203-F207 HydrophobicContact CB-CD2 4.2Å; A203-F207 WeakPolarHBondContact O-CB 3.26Å; A203-F207 VanDerWaalsContact O-CD2 3.23Å; A203-F207 WeakPolarHBondContact O-CD2 3.04Å; A203-F207 PolarHBondContact O-N 3.1Å
204L77Confident77.5Confident42 Ų4270.6 Ų70.622%0.2236%0.356CS..Hα-helixtrans-58.3-41.3176.9-154.161.8000113.1T192 Y198 Y200 I201 A202 G208 W240T192-L204 HydrophobicContact CG2-CD1 4.42Å; Y198-L204 HydrophobicContact CD1-CD1 4.41Å; Y198-L204 HydrophobicContact CE1-CB 4.15Å; Y198-L204 HydrophobicContact CE1-CD1 3.93Å; Y200-L204 PolarHBondContact O-N 2.86Å; I201-L204 WeakPolarHBondContact O-CB 3.21Å; I201-L204 PolarHBondContact O-N 3.17Å; A202-L204 VanDerWaalsContact C-N 3.33Å; L204-G208 WeakPolarHBondContact O-CA 3.26Å; L204-G208 PolarHBondContact O-N 2.91Å; L204-W240 HydrophobicContact CD1-CH2 3.19Å; L204-W240 HydrophobicContact CD1-CZ2 3.41Å; L204-W240 VanDerWaalsContact CD1-CZ2 3.41Å; L204-W240 HydrophobicContact CD1-CZ3 4.29Å; L204-W240 HydrophobicContact CD2-CH2 3.96Å; L204-W240 HydrophobicContact CD2-CZ2 3.54Å; L204-W240 HydrophobicContact CG-CH2 3.57Å; L204-W240 HydrophobicContact CG-CZ2 3.7Å; L204-W240 HydrophobicContact CG-CZ3 4.37Å
205R76.3Confident78.5Confident124 Ų12469.9 Ų69.947%0.46835%0.35SS..Hα-helixtrans-69.2-38.6177.2-72157.6-175.5-97.9-0.8112.4I201 A202 A203 D263 T265I201-R205 WeakPolarHBondContact O-CD 3.44Å; I201-R205 WeakPolarHBondContact O-CG 3.44Å; I201-R205 PolarHBondContact O-N 2.94Å; A202-R205 PolarHBondContact O-N 3.37Å; A203-R205 VanDerWaalsContact C-N 3.31Å; A203-R205 PolarHBondContact O-N 3.19Å; R205-D263 IonicContact NH2-OD1 2.76Å; R205-T265 PolarHBondContact NH1-OG1 2.89Å; R205-T265 PolarHBondContact NH2-OG1 3.05Å
206R83.6Confident79.4Confident185 Ų18570.1 Ų70.170%0.69835%0.35SS*.Hα-helixtrans-70.1-43.1-178.5-178.759.8176.2171.50.1111.8A202 A203A202-R206 WeakPolarHBondContact O-CB 3.29Å; A202-R206 PolarHBondContact O-N 2.98Å; A202-R206 VanDerWaalsContact O-N 3.12Å; A203-R206 PolarHBondContact O-N 3.49Å; A203-R206 VanDerWaalsContact O-N 3.16Å
207F85.6Confident80.8Confident115 Ų11569 Ų6950%0.50433%0.334SS..Hα-helixtrans-113.8-1.3-169.5-54.5-66.5000113.7A203 K209 D210A203-F207 HydrophobicContact CB-CD2 4.2Å; A203-F207 WeakPolarHBondContact O-CB 3.26Å; A203-F207 VanDerWaalsContact O-CD2 3.23Å; A203-F207 WeakPolarHBondContact O-CD2 3.04Å; A203-F207 PolarHBondContact O-N 3.1Å; F207-K209 PolarHBondContact O-N 3.33Å; F207-D210 WeakPolarHBondContact O-CA 3.2Å; F207-D210 WeakPolarHBondContact O-CB 3.4Å; F207-D210 PolarHBondContact O-N 3.36Å
208G80.5Confident81.8Confident17 Ų1764.8 Ų64.818%0.17532%0.324CS..G310 helixtrans-59.7-30.9-175.300000113.9L204 D210 V211L204-G208 WeakPolarHBondContact O-CA 3.26Å; L204-G208 PolarHBondContact O-N 2.91Å; G208-D210 PolarHBondContact O-N 2.79Å; G208-V211 WeakPolarHBondContact O-CB 3.47Å; G208-V211 WeakPolarHBondContact O-CG2 3.26Å; G208-V211 PolarHBondContact O-N 2.98Å
209K87.8Confident82.3Confident163 Ų16367.6 Ų67.671%0.70935%0.35SS*.G310 helixtrans-64.2-21.9173.265.8171.6-171.3170.90113.5Q112 F207Q112-K209 PolarHBondContact NE2-O 2.95Å; F207-K209 PolarHBondContact O-N 3.33Å
210D91.1Very high82.7Confident73 Ų7364.7 Ų64.739%0.3933%0.332SS..G310 helixtrans-93.3-4.7-177.6-53.3-46.6000111.3V189 F207 G208 K212V189-D210 WeakPolarHBondContact CB-O 3.05Å; V189-D210 HydrophobicContact CG1-CB 4.19Å; V189-D210 WeakPolarHBondContact CG1-O 3.22Å; F207-D210 WeakPolarHBondContact O-CA 3.2Å; F207-D210 WeakPolarHBondContact O-CB 3.4Å; F207-D210 PolarHBondContact O-N 3.36Å; G208-D210 PolarHBondContact O-N 2.79Å; D210-K212 WeakPolarHBondContact O-CG 3.39Å; D210-K212 PolarHBondContact O-N 3.26Å
211V89.8Confident82.7Confident8 Ų858.2 Ų58.25%0.04831%0.307CS..  trans-61.9129.1177.8173.50000110.4Q112 T192 G208 V214 W240Q112-V211 PolarHBondContact NE2-O 3.38Å; T192-V211 HydrophobicContact CG2-CG1 4.36Å; T192-V211 HydrophobicContact CG2-CG2 4.05Å; G208-V211 WeakPolarHBondContact O-CB 3.47Å; G208-V211 WeakPolarHBondContact O-CG2 3.26Å; G208-V211 PolarHBondContact O-N 2.98Å; V211-V214 HydrophobicContact CG1-CG2 3.7Å; V211-W240 HydrophobicContact CG2-CH2 3.93Å; V211-W240 HydrophobicContact CG2-CZ3 4.14Å
212K95.3Very high82.3Confident44 Ų4456.9 Ų56.919%0.19130%0.303CS..  trans-110.7-38.3-178.3-63-168.7165.4-177.10112.6V110 I111 Q112 E116 V189 Y190 D210V110-K212 CarbonylContact C-O 3.55Å; I111-K212 PolarHBondContact N-O 2.95Å; Q112-K212 HydrophobicContact CB-CB 4.36Å; Q112-K212 HydrophobicContact CB-CG 4.08Å; Q112-K212 PolarHBondContact N-O 3.23Å; E116-K212 IonicContact OE1-NZ 3.45Å; E116-K212 PolarHBondContact OE1-NZ 3.31Å; V189-K212 WeakPolarHBondContact O-CA 3.47Å; V189-K212 PolarHBondContact O-N 2.87Å; Y190-K212 HydrophobicContact CD1-CB 4.11Å; Y190-K212 HydrophobicContact CD1-CD 3.89Å; Y190-K212 HydrophobicContact CE1-CB 4.32Å; Y190-K212 HydrophobicContact CE1-CD 3.26Å; Y190-K212 HydrophobicContact CE1-CG 4.34Å; Y190-K212 PolarHBondContact OH-NZ 2.95Å; D210-K212 WeakPolarHBondContact O-CG 3.39Å; D210-K212 PolarHBondContact O-N 3.26Å
213I94.8Very high81.9Confident0 Ų055.1 Ų55.10%028%0.283CS..EExtended strand (participates in β ladder)trans-134.3126.9177.1-50.2-178.8000108.8W9 C108 M109 V110 L117 V139 V189 Y190 T192W9-I213 HydrophobicContact CZ3-CD1 4.43Å; C108-I213 HydrophobicContact CB-CG2 4.04Å; M109-I213 WeakPolarHBondContact O-CA 3.33Å; V110-I213 HydrophobicContact CG1-CG1 4.45Å; V110-I213 HydrophobicContact CG2-CD1 4.32Å; V110-I213 HydrophobicContact CG2-CG1 4.15Å; V110-I213 HydrophobicContact CG2-CG2 4.43Å; L117-I213 HydrophobicContact CD1-CD1 4.14Å; V139-I213 HydrophobicContact CG1-CD1 4.22Å; V139-I213 HydrophobicContact CG2-CG2 4.13Å; V189-I213 PolarHBondContact O-N 3.45Å; Y190-I213 WeakPolarHBondContact O-CB 3.27Å; T192-I213 WeakPolarHBondContact CB-O 3.43Å; T192-I213 PolarHBondContact N-O 2.95Å
214V90.3Very high81.3Confident8 Ų858 Ų585%0.04830%0.295CS..EExtended strand (participates in β ladder)trans-100.1131.3175.5-178.70000108.4C108 M109 I111 T192 V211 F216C108-V214 CarbonylContact C-O 3.56Å; C108-V214 WeakPolarHBondContact CA-O 3.48Å; M109-V214 PolarHBondContact N-O 3.47Å; M109-V214 PolarHBondContact O-N 3.35Å; I111-V214 HydrophobicContact CD1-CG2 4.08Å; I111-V214 HydrophobicContact CG1-CG2 3.83Å; T192-V214 WeakPolarHBondContact O-CA 3.32Å; V211-V214 HydrophobicContact CG1-CG2 3.7Å; V214-F216 HydrophobicContact CB-CZ 4.39Å; V214-F216 HydrophobicContact CG1-CD1 4.27Å; V214-F216 HydrophobicContact CG1-CE1 3.82Å; V214-F216 HydrophobicContact CG1-CE2 4.31Å; V214-F216 HydrophobicContact CG1-CZ 3.85Å
215H92.1Very high80.4Confident6 Ų656.1 Ų56.13%0.02829%0.285CS..EExtended strand (participates in β ladder)trans-111.9113.1177.1-175.9-179.3000109.7D107 N136 N191 T192 S194 L217D107-H215 IonicContact OD1-CD2 3.82Å; D107-H215 PolarHBondContact OD1-CD2 2.99Å; D107-H215 IonicContact OD1-NE2 2.54Å; D107-H215 PolarHBondContact OD1-NE2 2.92Å; D107-H215 IonicContact OD2-NE2 3.88Å; N136-H215 PolarHBondContact OD1-CE1 3.34Å; N136-H215 PolarHBondContact OD1-ND1 3.11Å; N191-H215 WeakPolarHBondContact OD1-CB 3.3Å; N191-H215 PolarHBondContact OD1-ND1 3.29Å; T192-H215 PolarHBondContact O-N 2.74Å; S194-H215 PolarHBondContact N-O 3.33Å; S194-H215 PolarHBondContact OG-O 3.14Å; H215-L217 WeakPolarHBondContact CE1-CD2 3.44Å; H215-L217 WeakPolarHBondContact NE2-CD2 3.4Å; H215-L217 PolarHBondContact O-N 2.98Å
216F85.2Confident79.4Confident21 Ų2156.5 Ų56.59%0.09230%0.296CS..  trans-8168.2-177.2-59.1-76.7000111.8D107 M109 S194 V214 K221 P222D107-F216 WeakPolarHBondContact O-CB 3.29Å; D107-F216 WeakPolarHBondContact O-CD2 3.35Å; D107-F216 PolarHBondContact O-N 3.26Å; M109-F216 HydrophobicContact CB-CE2 3.78Å; M109-F216 HydrophobicContact CB-CZ 4.43Å; M109-F216 HydrophobicContact CE-CE2 4.41Å; M109-F216 HydrophobicContact CE-CZ 3.98Å; S194-F216 WeakPolarHBondContact OG-CA 3.45Å; S194-F216 WeakPolarHBondContact OG-CD1 3.48Å; V214-F216 HydrophobicContact CB-CZ 4.39Å; V214-F216 HydrophobicContact CG1-CD1 4.27Å; V214-F216 HydrophobicContact CG1-CE1 3.82Å; V214-F216 HydrophobicContact CG1-CE2 4.31Å; V214-F216 HydrophobicContact CG1-CZ 3.85Å; F216-K221 PolarHBondContact O-NZ 2.89Å; F216-P222 HydrophobicContact CB-CG 3.93Å; F216-P222 HydrophobicContact CD1-CG 3.47Å; F216-P222 VanDerWaalsContact CD1-CG 3.47Å; F216-P222 HydrophobicContact CD2-CG 3.61Å; F216-P222 HydrophobicContact CE1-CG 3.81Å; F216-P222 HydrophobicContact CE2-CG 3.93Å; F216-P222 HydrophobicContact CG-CG 3.38Å; F216-P222 HydrophobicContact CZ-CG 4.04Å
217L81.5Confident77.8Confident46 Ų4654 Ų5424%0.24130%0.301CS..  trans-60.5150.8174.4-70.5-177000112I129 A193 H215I129-L217 HydrophobicContact CD1-CD1 4.31Å; A193-L217 HydrophobicContact CB-CD1 3.58Å; A193-L217 HydrophobicContact CB-CG 4.34Å; H215-L217 WeakPolarHBondContact CE1-CD2 3.44Å; H215-L217 WeakPolarHBondContact NE2-CD2 3.4Å; H215-L217 PolarHBondContact O-N 2.98Å
218G75.6Confident76.3Confident49 Ų4951.6 Ų51.651%0.50529%0.294SS..SBendtrans104.5168.6-17900000113.1T220 K221G218-T220 VanDerWaalsContact C-N 3.33Å; G218-K221 WeakPolarHBondContact O-CE 3.33Å; G218-K221 PolarHBondContact O-NZ 3.12Å
219S73.9Confident74.8Confident108 Ų10858 Ų5876%0.75532%0.319SS*.SBendtrans-70.1-29.9-177.9510000112.6K221 M224S219-K221 PolarHBondContact O-N 3.36Å; S219-M224 WeakPolarHBondContact O-CE 3.34Å
220T71.1Confident73Confident62 Ų6255.4 Ų55.438%0.3831%0.313SS..  trans-90.4103.6-178.4-53.30000111.6G218 L225 L231G218-T220 VanDerWaalsContact C-N 3.33Å; T220-L225 HydrophobicContact CG2-CD2 3.73Å; T220-L225 HydrophobicContact CG2-CG 4.45Å; T220-L231 HydrophobicContact CG2-CD2 4.07Å
221K73.3Confident71.1Confident15 Ų1555 Ų557%0.06531%0.31CS..  trans-86.9151.3179.4-54.1-56.8-178.5-176.30111.8D107 F216 G218 S219 W223 M224D107-K221 HydrophobicContact CB-CD 3.95Å; D107-K221 WeakPolarHBondContact OD2-CE 3.47Å; D107-K221 IonicContact OD2-NZ 2.73Å; D107-K221 PolarHBondContact OD2-NZ 3.47Å; F216-K221 PolarHBondContact O-NZ 2.89Å; G218-K221 WeakPolarHBondContact O-CE 3.33Å; G218-K221 PolarHBondContact O-NZ 3.12Å; S219-K221 PolarHBondContact O-N 3.36Å; K221-W223 VanDerWaalsContact C-N 3.26Å; K221-W223 HydrophobicContact CB-CD2 3.75Å; K221-W223 VanDerWaalsContact CB-CE2 3.44Å; K221-W223 HydrophobicContact CB-CE3 4.03Å; K221-W223 HydrophobicContact CB-CG 4.46Å; K221-W223 HydrophobicContact CB-CH2 3.82Å; K221-W223 HydrophobicContact CB-CZ2 3.5Å; K221-W223 HydrophobicContact CB-CZ3 4.05Å; K221-W223 HydrophobicContact CD-CH2 4.31Å; K221-W223 HydrophobicContact CD-CZ2 4.39Å; K221-W223 HydrophobicContact CG-CH2 3.94Å; K221-W223 HydrophobicContact CG-CZ2 3.57Å; K221-W223 PolarHBondContact O-N 3.04Å; K221-W223 VanDerWaalsContact O-N 3.16Å; K221-M224 HydrophobicContact CB-CE 4.16Å; K221-M224 HydrophobicContact CB-CG 4.37Å; K221-M224 HydrophobicContact CG-CE 4.22Å; K221-M224 WeakPolarHBondContact O-CB 3.49Å; K221-M224 PolarHBondContact O-N 2.91Å
222P67.3Low68.8Low34 Ų3458.6 Ų58.622%0.22133%0.326CS..G310 helixtrans-54.7-37.5-176.2-27.734.8000114.4F216 M224 L225F216-P222 HydrophobicContact CB-CG 3.93Å; F216-P222 HydrophobicContact CD1-CG 3.47Å; F216-P222 VanDerWaalsContact CD1-CG 3.47Å; F216-P222 HydrophobicContact CD2-CG 3.61Å; F216-P222 HydrophobicContact CE1-CG 3.81Å; F216-P222 HydrophobicContact CE2-CG 3.93Å; F216-P222 HydrophobicContact CG-CG 3.38Å; F216-P222 HydrophobicContact CZ-CG 4.04Å; P222-M224 VanDerWaalsContact C-N 3.3Å; P222-M224 PolarHBondContact O-N 2.97Å; P222-L225 WeakPolarHBondContact O-CB 3.47Å; P222-L225 PolarHBondContact O-N 3.2Å
223W68.3Low66.2Low23 Ų2361.5 Ų61.59%0.08734%0.338CS..G310 helixtrans-72-21.1-179.555.287.3000113.9S17 Y18 L20 D107 K221 L225 L226S17-W223 PolarHBondContact O-NE1 3.03Å; S17-W223 VanDerWaalsContact O-NE1 3.12Å; S17-W223 PolarHBondContact OG-NE1 2.54Å; Y18-W223 HydrophobicContact CD1-CH2 4.43Å; Y18-W223 HydrophobicContact CD1-CZ2 4.28Å; Y18-W223 HydrophobicContact CG-CZ2 4.34Å; L20-W223 HydrophobicContact CB-CB 3.99Å; L20-W223 HydrophobicContact CB-CD2 4.4Å; L20-W223 HydrophobicContact CB-CG 3.97Å; L20-W223 HydrophobicContact CD1-CB 4.01Å; L20-W223 HydrophobicContact CD1-CG 4.21Å; D107-W223 HydrophobicContact CB-CH2 3.79Å; D107-W223 HydrophobicContact CB-CZ3 4.28Å; K221-W223 VanDerWaalsContact C-N 3.26Å; K221-W223 HydrophobicContact CB-CD2 3.75Å; K221-W223 VanDerWaalsContact CB-CE2 3.44Å; K221-W223 HydrophobicContact CB-CE3 4.03Å; K221-W223 HydrophobicContact CB-CG 4.46Å; K221-W223 HydrophobicContact CB-CH2 3.82Å; K221-W223 HydrophobicContact CB-CZ2 3.5Å; K221-W223 HydrophobicContact CB-CZ3 4.05Å; K221-W223 HydrophobicContact CD-CH2 4.31Å; K221-W223 HydrophobicContact CD-CZ2 4.39Å; K221-W223 HydrophobicContact CG-CH2 3.94Å; K221-W223 HydrophobicContact CG-CZ2 3.57Å; K221-W223 PolarHBondContact O-N 3.04Å; K221-W223 VanDerWaalsContact O-N 3.16Å; W223-L225 PolarHBondContact O-N 2.86Å; W223-L226 HydrophobicContact CB-CD1 4.29Å; W223-L226 WeakPolarHBondContact O-CB 3.36Å; W223-L226 PolarHBondContact O-N 3.25Å
224M66.1Low63.9Low76 Ų7669.4 Ų69.437%0.37437%0.368SS..G310 helixtrans-73-15174.3-60.7-159.9-6800112.4S219 K221 P222 L226 T227S219-M224 WeakPolarHBondContact O-CE 3.34Å; K221-M224 HydrophobicContact CB-CE 4.16Å; K221-M224 HydrophobicContact CB-CG 4.37Å; K221-M224 HydrophobicContact CG-CE 4.22Å; K221-M224 WeakPolarHBondContact O-CB 3.49Å; K221-M224 PolarHBondContact O-N 2.91Å; P222-M224 VanDerWaalsContact C-N 3.3Å; P222-M224 PolarHBondContact O-N 2.97Å; M224-L226 VanDerWaalsContact C-N 3.33Å; M224-T227 PolarHBondContact O-OG1 3.24Å
225L59Low61.8Low2 Ų270.8 Ų70.81%0.0138%0.376CS..G310 helixtrans-82.8-13.2177.2-52.3175.3000112.8T220 P222 W223 T227 D228 L231 F232 V235T220-L225 HydrophobicContact CG2-CD2 3.73Å; T220-L225 HydrophobicContact CG2-CG 4.45Å; P222-L225 WeakPolarHBondContact O-CB 3.47Å; P222-L225 PolarHBondContact O-N 3.2Å; W223-L225 PolarHBondContact O-N 2.86Å; L225-T227 PolarHBondContact O-N 3.07Å; L225-D228 CarbonylContact O-C 3.55Å; L225-D228 PolarHBondContact O-N 3.23Å; L225-L231 HydrophobicContact CD2-CB 3.77Å; L225-L231 HydrophobicContact CD2-CD2 3.59Å; L225-L231 HydrophobicContact CD2-CG 3.72Å; L225-F232 HydrophobicContact CB-CB 4.09Å; L225-F232 HydrophobicContact CB-CD2 3.83Å; L225-F232 HydrophobicContact CB-CG 4.46Å; L225-V235 HydrophobicContact CD1-CB 3.61Å; L225-V235 HydrophobicContact CD1-CG1 3.98Å; L225-V235 HydrophobicContact CD1-CG2 3.3Å; L225-V235 HydrophobicContact CD2-CG2 3.37Å; L225-V235 HydrophobicContact CG-CG2 3.95Å
226L54.2Low59.9Low132 Ų13273.4 Ų73.469%0.69139%0.388SS*.G310 helixtrans-67.2-19.3-179.3-64.3173.1000112.5W223 M224W223-L226 HydrophobicContact CB-CD1 4.29Å; W223-L226 WeakPolarHBondContact O-CB 3.36Å; W223-L226 PolarHBondContact O-N 3.25Å; M224-L226 VanDerWaalsContact C-N 3.33Å
227T51.5Low58.2Low132 Ų13274.1 Ų74.181%0.8139%0.39SS*.G310 helixtrans-99.8-9.3178.953.40000113.9M224 L225M224-T227 PolarHBondContact O-OG1 3.24Å; L225-T227 PolarHBondContact O-N 3.07Å
228D53.4Low56.4Low64 Ų6475.6 Ų75.634%0.34239%0.393SS..  trans-133.297-178.8-172.8-19000110.4L225 N230 L231 F232L225-D228 CarbonylContact O-C 3.55Å; L225-D228 PolarHBondContact O-N 3.23Å; D228-N230 PolarHBondContact O-N 3.41Å; D228-N230 WeakPolarHBondContact OD1-CA 3.19Å; D228-N230 VanDerWaalsContact OD1-CB 3.31Å; D228-N230 WeakPolarHBondContact OD1-CB 3.43Å; D228-N230 PolarHBondContact OD1-N 3.45Å; D228-L231 HydrophobicContact CB-CB 3.84Å; D228-L231 PolarHBondContact O-N 3.28Å; D228-L231 VanDerWaalsContact O-N 3.14Å; D228-L231 PolarHBondContact OD1-N 3.18Å; D228-F232 WeakPolarHBondContact O-CB 3.5Å; D228-F232 PolarHBondContact O-N 2.88Å
229E49.5Very low54.9Low153 Ų15379.5 Ų79.572%0.71539%0.392SS*.Hα-helixtrans-56.9-31.2176.5-75.7-164.4159.800113K233E229-K233 WeakPolarHBondContact O-CG 3.47Å; E229-K233 PolarHBondContact O-N 2.6Å
230N50.6Low53.6Low108 Ų10878 Ų7858%0.57837%0.371SS*.Hα-helixtrans-74.2-38.1179.5-70.3-42.7000110.9D228 R234D228-N230 PolarHBondContact O-N 3.41Å; D228-N230 WeakPolarHBondContact OD1-CA 3.19Å; D228-N230 VanDerWaalsContact OD1-CB 3.31Å; D228-N230 WeakPolarHBondContact OD1-CB 3.43Å; D228-N230 PolarHBondContact OD1-N 3.45Å; N230-R234 WeakPolarHBondContact O-CG 3.38Å; N230-R234 PolarHBondContact O-N 3.2Å
231L49.6Very low52.2Low64 Ų6481 Ų8134%0.33538%0.379SS..Hα-helixtrans-69.1-43.7173.6-142.574.1000110.4T220 L225 D228 K233 R234 V235T220-L231 HydrophobicContact CG2-CD2 4.07Å; L225-L231 HydrophobicContact CD2-CB 3.77Å; L225-L231 HydrophobicContact CD2-CD2 3.59Å; L225-L231 HydrophobicContact CD2-CG 3.72Å; D228-L231 HydrophobicContact CB-CB 3.84Å; D228-L231 PolarHBondContact O-N 3.28Å; D228-L231 VanDerWaalsContact O-N 3.14Å; D228-L231 PolarHBondContact OD1-N 3.18Å; L231-K233 PolarHBondContact O-N 3.16Å; L231-R234 WeakPolarHBondContact O-CA 3.49Å; L231-R234 WeakPolarHBondContact O-CB 3.4Å; L231-R234 PolarHBondContact O-N 2.97Å; L231-V235 WeakPolarHBondContact O-CG2 3.35Å; L231-V235 PolarHBondContact O-N 2.95Å
232F41.3Very low50.5Low84 Ų8484 Ų8437%0.36840%0.395SS..Hα-helixtrans-53.1-39.3176.4-172.8-97.9000112.9L225 D228 R234 W237L225-F232 HydrophobicContact CB-CB 4.09Å; L225-F232 HydrophobicContact CB-CD2 3.83Å; L225-F232 HydrophobicContact CB-CG 4.46Å; D228-F232 WeakPolarHBondContact O-CB 3.5Å; D228-F232 PolarHBondContact O-N 2.88Å; F232-R234 VanDerWaalsContact C-N 3.33Å; F232-R234 PolarHBondContact O-N 2.89Å; F232-W237 AromaticContact CD1-CH2 3.93Å; F232-W237 HydrophobicContact CD1-CH2 3.93Å; F232-W237 AromaticContact CD1-CZ2 3.78Å; F232-W237 HydrophobicContact CD1-CZ2 3.78Å; F232-W237 HydrophobicContact CD2-CH2 4.04Å; F232-W237 AromaticContact CD2-CZ2 3.36Å; F232-W237 HydrophobicContact CD2-CZ2 3.36Å; F232-W237 AromaticContact CE1-CH2 3.32Å; F232-W237 HydrophobicContact CE1-CH2 3.32Å; F232-W237 AromaticContact CE1-CZ2 3.62Å; F232-W237 HydrophobicContact CE1-CZ2 3.62Å; F232-W237 AromaticContact CE2-CH2 3.43Å; F232-W237 HydrophobicContact CE2-CH2 3.43Å; F232-W237 VanDerWaalsContact CE2-CH2 3.43Å; F232-W237 AromaticContact CE2-CZ2 3.15Å; F232-W237 HydrophobicContact CE2-CZ2 3.15Å; F232-W237 HydrophobicContact CE2-CZ3 4.49Å; F232-W237 HydrophobicContact CG-CH2 4.27Å; F232-W237 AromaticContact CG-CZ2 3.67Å; F232-W237 HydrophobicContact CG-CZ2 3.67Å; F232-W237 AromaticContact CZ-CH2 3.04Å; F232-W237 HydrophobicContact CZ-CH2 3.04Å; F232-W237 AromaticContact CZ-CZ2 3.32Å; F232-W237 HydrophobicContact CZ-CZ2 3.32Å; F232-W237 HydrophobicContact CZ-CZ3 4.09Å; F232-W237 WeakPolarHBondContact O-CZ2 3.35Å
233K42.6Very low49.1Very low104 Ų10487.6 Ų87.645%0.45242%0.418SS..Hα-helixtrans-69.2-27.2175.4-72.4174.4-174.7170.90113.8E229 L231 R238E229-K233 WeakPolarHBondContact O-CG 3.47Å; E229-K233 PolarHBondContact O-N 2.6Å; L231-K233 PolarHBondContact O-N 3.16Å; K233-R238 WeakPolarHBondContact O-CD 3.24Å
234R45.3Very low47.9Very low166 Ų16692.8 Ų92.863%0.62646%0.458SS*.Hα-helixtrans-87.8-16-175.5-71.3176.6-176.2-151.54.1114.4N230 L231 F232N230-R234 WeakPolarHBondContact O-CG 3.38Å; N230-R234 PolarHBondContact O-N 3.2Å; L231-R234 WeakPolarHBondContact O-CA 3.49Å; L231-R234 WeakPolarHBondContact O-CB 3.4Å; L231-R234 PolarHBondContact O-N 2.97Å; F232-R234 VanDerWaalsContact C-N 3.33Å; F232-R234 PolarHBondContact O-N 2.89Å
235V47.3Very low46.9Very low37 Ų3792.9 Ų92.922%0.22448%0.479CS..SBendtrans-87.2132.5-172.8-164.20000111.3L225 L231 W237 R238L225-V235 HydrophobicContact CD1-CB 3.61Å; L225-V235 HydrophobicContact CD1-CG1 3.98Å; L225-V235 HydrophobicContact CD1-CG2 3.3Å; L225-V235 HydrophobicContact CD2-CG2 3.37Å; L225-V235 HydrophobicContact CG-CG2 3.95Å; L231-V235 WeakPolarHBondContact O-CG2 3.35Å; L231-V235 PolarHBondContact O-N 2.95Å; V235-W237 PolarHBondContact O-N 2.97Å; V235-R238 PolarHBondContact O-N 3.17Å
236H51.3Low46.5Very low61 Ų6195.3 Ų95.328%0.28250%0.495SS..THydrogen-bonded Turntrans-51.4-14.7-174.4-82-101.6000115.9R238 W239 V261H236-R238 PolarHBondContact O-N 2.89Å; H236-R238 VanDerWaalsContact O-N 3.11Å; H236-W239 PolarHBondContact O-N 2.89Å; H236-V261 WeakPolarHBondContact CE1-CG1 3.47Å
237W50.8Low46.6Very low36 Ų3693.6 Ų93.614%0.13650%0.501CS..THydrogen-bonded Turntrans-65.3-16.9-179.464-100.8000112.9F232 V235 W239 W240 F241F232-W237 AromaticContact CD1-CH2 3.93Å; F232-W237 HydrophobicContact CD1-CH2 3.93Å; F232-W237 AromaticContact CD1-CZ2 3.78Å; F232-W237 HydrophobicContact CD1-CZ2 3.78Å; F232-W237 HydrophobicContact CD2-CH2 4.04Å; F232-W237 AromaticContact CD2-CZ2 3.36Å; F232-W237 HydrophobicContact CD2-CZ2 3.36Å; F232-W237 AromaticContact CE1-CH2 3.32Å; F232-W237 HydrophobicContact CE1-CH2 3.32Å; F232-W237 AromaticContact CE1-CZ2 3.62Å; F232-W237 HydrophobicContact CE1-CZ2 3.62Å; F232-W237 AromaticContact CE2-CH2 3.43Å; F232-W237 HydrophobicContact CE2-CH2 3.43Å; F232-W237 VanDerWaalsContact CE2-CH2 3.43Å; F232-W237 AromaticContact CE2-CZ2 3.15Å; F232-W237 HydrophobicContact CE2-CZ2 3.15Å; F232-W237 HydrophobicContact CE2-CZ3 4.49Å; F232-W237 HydrophobicContact CG-CH2 4.27Å; F232-W237 AromaticContact CG-CZ2 3.67Å; F232-W237 HydrophobicContact CG-CZ2 3.67Å; F232-W237 AromaticContact CZ-CH2 3.04Å; F232-W237 HydrophobicContact CZ-CH2 3.04Å; F232-W237 AromaticContact CZ-CZ2 3.32Å; F232-W237 HydrophobicContact CZ-CZ2 3.32Å; F232-W237 HydrophobicContact CZ-CZ3 4.09Å; F232-W237 WeakPolarHBondContact O-CZ2 3.35Å; V235-W237 PolarHBondContact O-N 2.97Å; W237-W239 PolarHBondContact O-N 2.88Å; W237-W239 VanDerWaalsContact O-N 3.12Å; W237-W240 WeakPolarHBondContact O-CB 3.01Å; W237-W240 PolarHBondContact O-N 3.43Å; W237-F241 AromaticContact CE3-CD2 3.78Å; W237-F241 HydrophobicContact CE3-CD2 3.78Å; W237-F241 HydrophobicContact CE3-CE2 4.38Å; W237-F241 HydrophobicContact CZ3-CD2 4.35Å
238R43.6Very low46.9Very low78 Ų7890.1 Ų90.129%0.29448%0.476SS..Hα-helixtrans-51.6-33171.7-93.7178.177.2137.9-1.8113.1K233 V235 H236 W240 F241 L242K233-R238 WeakPolarHBondContact O-CD 3.24Å; V235-R238 PolarHBondContact O-N 3.17Å; H236-R238 PolarHBondContact O-N 2.89Å; H236-R238 VanDerWaalsContact O-N 3.11Å; R238-W240 PolarHBondContact O-N 2.97Å; R238-F241 PolarHBondContact O-N 3.14Å; R238-L242 HydrophobicContact CB-CD1 4.11Å; R238-L242 HydrophobicContact CG-CD1 3.84Å; R238-L242 PolarHBondContact O-N 3.45Å
239W44.1Very low47.6Very low130 Ų13089.7 Ų89.749%0.49248%0.478SS..Hα-helixtrans-63.9-20.4177.7-64.7107.9000113.6H236 W237 D263H236-W239 PolarHBondContact O-N 2.89Å; W237-W239 PolarHBondContact O-N 2.88Å; W237-W239 VanDerWaalsContact O-N 3.12Å; W239-D263 HydrophobicContact CH2-CB 4.01Å
240W45.4Very low48.4Very low78 Ų7887.9 Ų87.930%0.29547%0.474SS..Hα-helixtrans-91.1-19.3179.9-63.7101000114.3T192 L204 V211 W237 R238T192-W240 HydrophobicContact CG2-CH2 4.45Å; L204-W240 HydrophobicContact CD1-CH2 3.19Å; L204-W240 HydrophobicContact CD1-CZ2 3.41Å; L204-W240 VanDerWaalsContact CD1-CZ2 3.41Å; L204-W240 HydrophobicContact CD1-CZ3 4.29Å; L204-W240 HydrophobicContact CD2-CH2 3.96Å; L204-W240 HydrophobicContact CD2-CZ2 3.54Å; L204-W240 HydrophobicContact CG-CH2 3.57Å; L204-W240 HydrophobicContact CG-CZ2 3.7Å; L204-W240 HydrophobicContact CG-CZ3 4.37Å; V211-W240 HydrophobicContact CG2-CH2 3.93Å; V211-W240 HydrophobicContact CG2-CZ3 4.14Å; W237-W240 WeakPolarHBondContact O-CB 3.01Å; W237-W240 PolarHBondContact O-N 3.43Å; R238-W240 PolarHBondContact O-N 2.97Å
241F42.4Very low49.2Very low125 Ų12587.9 Ų87.955%0.54847%0.474SS..Hα-helixtrans-122.8-12-171.2-66.2-82.6000114.6M109 W237 R238M109-F241 HydrophobicContact CE-CZ 3.81Å; W237-F241 AromaticContact CE3-CD2 3.78Å; W237-F241 HydrophobicContact CE3-CD2 3.78Å; W237-F241 HydrophobicContact CE3-CE2 4.38Å; W237-F241 HydrophobicContact CZ3-CD2 4.35Å; R238-F241 PolarHBondContact O-N 3.14Å
242L37Very low50Low77 Ų7789 Ų8940%0.40348%0.477SS..SBendtrans-100.4130.2175.9-69.5173.5000111.3R238 S244R238-L242 HydrophobicContact CB-CD1 4.11Å; R238-L242 HydrophobicContact CG-CD1 3.84Å; R238-L242 PolarHBondContact O-N 3.45Å; L242-S244 PolarHBondContact O-N 3.35Å
243P39.2Very low51.1Low109 Ų10986.2 Ų86.271%0.70846%0.464SS*.  trans-53.9138.7164.4-1929.9000109.5G245P243-G245 PolarHBondContact O-N 2.82Å
244S41.4Very low52Low132 Ų13286.7 Ų86.792%0.92347%0.468SS*.THydrogen-bonded Turntrans-52.3107.5169.944.10000109.7L242L242-S244 PolarHBondContact O-N 3.35Å
245G46.4Very low53Low79 Ų7984.5 Ų84.581%0.81446%0.46SS*.THydrogen-bonded Turntrans153.4-0.4178.100000118.5P243 A247P243-G245 PolarHBondContact O-N 2.82Å; G245-A247 PolarHBondContact O-N 2.92Å
246S50.2Low53.7Low52 Ų5283.8 Ų83.836%0.36446%0.457SS..  trans-76.6123.4173.1650000111I248S246-I248 PolarHBondContact O-N 3.16Å; S246-I248 VanDerWaalsContact O-N 3.17Å
247A55.3Low54.2Low97 Ų9787 Ų8780%0.80247%0.467SS*.  trans-57.3114.6176.700000111.5G245G245-A247 PolarHBondContact O-N 2.92Å
248I58.7Low54.9Low58 Ų5891.9 Ų91.930%0.29749%0.491SS..  trans-89.8136.7171-58.6175000107.1S246 E252 R253S246-I248 PolarHBondContact O-N 3.16Å; S246-I248 VanDerWaalsContact O-N 3.17Å; I248-E252 HydrophobicContact CG2-CB 3.42Å; I248-E252 VanDerWaalsContact CG2-CB 3.42Å; I248-E252 HydrophobicContact CG2-CG 4.47Å; I248-R253 HydrophobicContact CB-CG 4.32Å; I248-R253 HydrophobicContact CG2-CG 3.91Å
249S67.2Low55.8Low55 Ų5595 Ų9539%0.38551%0.509SS..  trans-67153.3177.261.80000111.7D251 E252 R253S249-D251 PolarHBondContact O-N 2.94Å; S249-E252 PolarHBondContact N-OE2 3.06Å; S249-E252 PolarHBondContact O-N 3Å; S249-E252 VanDerWaalsContact O-N 3.14Å; S249-E252 WeakPolarHBondContact OG-CB 3.34Å; S249-E252 WeakPolarHBondContact OG-CG 3.38Å; S249-E252 PolarHBondContact OG-N 2.96Å; S249-E252 PolarHBondContact OG-OE2 3.05Å; S249-R253 PolarHBondContact O-N 3.3Å
250D66Low56.3Low115 Ų11591.4 Ų91.462%0.61551%0.513SS*.Hα-helixtrans-61.8-32.2179.7-77.8-33000112.3R253 Q254D250-R253 WeakPolarHBondContact O-CB 3.42Å; D250-R253 PolarHBondContact O-N 2.76Å; D250-R253 IonicContact OD1-NH1 3.9Å; D250-R253 PolarHBondContact OD1-NH1 2.92Å; D250-Q254 PolarHBondContact O-N 3.33Å
251D68.8Low56.8Low108 Ų10889.2 Ų89.258%0.57851%0.508SS*.Hα-helixtrans-64.3-42.2173.7-72.3-7.3000112.2S249 R253 Q254 R255S249-D251 PolarHBondContact O-N 2.94Å; D251-R253 VanDerWaalsContact C-N 3.31Å; D251-Q254 PolarHBondContact O-N 3.41Å; D251-R255 WeakPolarHBondContact O-CG 3.33Å; D251-R255 PolarHBondContact O-N 2.9Å
252E65.2Low57.6Low89 Ų8983.5 Ų83.542%0.41648%0.483SS..Hα-helixtrans-66.5-36175.1-76167.414900111I248 S249 A256I248-E252 HydrophobicContact CG2-CB 3.42Å; I248-E252 VanDerWaalsContact CG2-CB 3.42Å; I248-E252 HydrophobicContact CG2-CG 4.47Å; S249-E252 PolarHBondContact N-OE2 3.06Å; S249-E252 PolarHBondContact O-N 3Å; S249-E252 VanDerWaalsContact O-N 3.14Å; S249-E252 WeakPolarHBondContact OG-CB 3.34Å; S249-E252 WeakPolarHBondContact OG-CG 3.38Å; S249-E252 PolarHBondContact OG-N 2.96Å; S249-E252 PolarHBondContact OG-OE2 3.05Å; E252-A256 VanDerWaalsContact O-CB 3.27Å; E252-A256 WeakPolarHBondContact O-CB 3.4Å; E252-A256 PolarHBondContact O-N 3.16Å
253R64.7Low58.9Low25 Ų2580.7 Ų80.79%0.09447%0.469CS..Hα-helixtrans-66.4-42.1173.8-72179.562.5-159.83.4112.4I248 S249 D250 D251 A256 W257 H267 D268I248-R253 HydrophobicContact CB-CG 4.32Å; I248-R253 HydrophobicContact CG2-CG 3.91Å; S249-R253 PolarHBondContact O-N 3.3Å; D250-R253 WeakPolarHBondContact O-CB 3.42Å; D250-R253 PolarHBondContact O-N 2.76Å; D250-R253 IonicContact OD1-NH1 3.9Å; D250-R253 PolarHBondContact OD1-NH1 2.92Å; D251-R253 VanDerWaalsContact C-N 3.31Å; R253-A256 WeakPolarHBondContact O-CB 3.21Å; R253-A256 PolarHBondContact O-N 2.73Å; R253-W257 PolarHBondContact O-N 2.97Å; R253-H267 PolarHBondContact NH2-O 3.17Å; R253-D268 IonicContact CZ-OD1 3.34Å; R253-D268 IonicContact NE-OD1 2.77Å; R253-D268 IonicContact NE-OD2 3.23Å; R253-D268 IonicContact NH2-OD1 3.44Å; R253-D268 PolarHBondContact NH2-OD1 2.85Å
254Q61.7Low59.6Low113 Ų11382 Ų8253%0.52846%0.461SS..Hα-helixtrans-63.3-44.6177.5-178.4174.9-11.700111.2D250 D251 A256 W257 E258D250-Q254 PolarHBondContact O-N 3.33Å; D251-Q254 PolarHBondContact O-N 3.41Å; Q254-A256 VanDerWaalsContact C-N 3.32Å; Q254-A256 PolarHBondContact O-N 2.86Å; Q254-W257 WeakPolarHBondContact O-CA 3.45Å; Q254-W257 VanDerWaalsContact O-CB 3.3Å; Q254-W257 WeakPolarHBondContact O-CB 3.15Å; Q254-W257 PolarHBondContact O-N 3.23Å; Q254-W257 VanDerWaalsContact O-N 3.11Å; Q254-E258 PolarHBondContact NE2-OE1 3.12Å; Q254-E258 WeakPolarHBondContact O-CG 3.43Å; Q254-E258 PolarHBondContact O-N 3.18Å
255R65.7Low60.1Low121 Ų12178.9 Ų78.946%0.45744%0.436SS..Hα-helixtrans-63-40.2174.9-70.6-178.1-160.8164.58.8112.2D251 W257 E258 E259D251-R255 WeakPolarHBondContact O-CG 3.33Å; D251-R255 PolarHBondContact O-N 2.9Å; R255-W257 PolarHBondContact O-N 3.2Å; R255-E258 PolarHBondContact O-N 3.14Å; R255-E258 VanDerWaalsContact O-N 3.12Å; R255-E259 WeakPolarHBondContact O-CB 3.23Å; R255-E259 WeakPolarHBondContact O-CG 3.5Å; R255-E259 PolarHBondContact O-N 2.64Å
256A63.2Low61.1Low21 Ų2176.4 Ų76.417%0.17441%0.411CS..Hα-helixtrans-59.8-36.9174.300000111.6E252 R253 Q254 G260 V261E252-A256 VanDerWaalsContact O-CB 3.27Å; E252-A256 WeakPolarHBondContact O-CB 3.4Å; E252-A256 PolarHBondContact O-N 3.16Å; R253-A256 WeakPolarHBondContact O-CB 3.21Å; R253-A256 PolarHBondContact O-N 2.73Å; Q254-A256 VanDerWaalsContact C-N 3.32Å; Q254-A256 PolarHBondContact O-N 2.86Å; A256-G260 PolarHBondContact O-N 3.13Å; A256-V261 HydrophobicContact CB-CB 4.38Å; A256-V261 WeakPolarHBondContact CB-O 3.34Å; A256-V261 CarbonylContact O-C 3.55Å; A256-V261 VanDerWaalsContact O-C 3.27Å; A256-V261 VanDerWaalsContact O-CA 3.32Å; A256-V261 WeakPolarHBondContact O-CA 3.46Å; A256-V261 PolarHBondContact O-N 2.98Å
257W61.5Low61.6Low130 Ų13078.3 Ų78.349%0.49241%0.414SS..Hα-helixtrans-63.6-46.3170.7-95.683.4000113.4R253 Q254 R255 E259 G260 V262 D268 I273R253-W257 PolarHBondContact O-N 2.97Å; Q254-W257 WeakPolarHBondContact O-CA 3.45Å; Q254-W257 VanDerWaalsContact O-CB 3.3Å; Q254-W257 WeakPolarHBondContact O-CB 3.15Å; Q254-W257 PolarHBondContact O-N 3.23Å; Q254-W257 VanDerWaalsContact O-N 3.11Å; R255-W257 PolarHBondContact O-N 3.2Å; W257-E259 VanDerWaalsContact C-N 3.33Å; W257-E259 PolarHBondContact O-N 2.64Å; W257-G260 PolarHBondContact O-N 3.4Å; W257-V262 HydrophobicContact CD2-CG1 4.22Å; W257-V262 HydrophobicContact CD2-CG2 4.06Å; W257-V262 HydrophobicContact CE3-CG2 4.35Å; W257-V262 HydrophobicContact CG-CG1 4.48Å; W257-V262 HydrophobicContact CG-CG2 4.2Å; W257-V262 HydrophobicContact CZ2-CG1 3.98Å; W257-D268 HydrophobicContact CZ2-CB 4.49Å; W257-D268 PolarHBondContact NE1-OD1 2.97Å; W257-I273 HydrophobicContact CZ2-CD1 4.25Å
258E65.9Low61.9Low137 Ų13774 Ų7464%0.6438%0.377SS*.Hα-helixtrans-68.2-30.1-178.4-69.8169.3-177.100112.9Q254 R255Q254-E258 PolarHBondContact NE2-OE1 3.12Å; Q254-E258 WeakPolarHBondContact O-CG 3.43Å; Q254-E258 PolarHBondContact O-N 3.18Å; R255-E258 PolarHBondContact O-N 3.14Å; R255-E258 VanDerWaalsContact O-N 3.12Å
259E62.3Low62.1Low144 Ų14471.5 Ų71.567%0.67337%0.365SS*.THydrogen-bonded Turntrans-89.8-1179.3-66.8176.1176.100113.5R255 W257 V261R255-E259 WeakPolarHBondContact O-CB 3.23Å; R255-E259 WeakPolarHBondContact O-CG 3.5Å; R255-E259 PolarHBondContact O-N 2.64Å; W257-E259 VanDerWaalsContact C-N 3.33Å; W257-E259 PolarHBondContact O-N 2.64Å; E259-V261 VanDerWaalsContact C-N 3.34Å; E259-V261 HydrophobicContact CB-CG2 4.16Å
260G54.5Low61.6Low55 Ų5577.5 Ų77.557%0.56738%0.379SS*.THydrogen-bonded Turntrans7815.5-177.900000114.7A256 W257A256-G260 PolarHBondContact O-N 3.13Å; W257-G260 PolarHBondContact O-N 3.4Å
261V55.3Low61.7Low32 Ų3278.4 Ų78.419%0.19438%0.38CS..  trans-101.843.3-177.5-173.40000110.8H236 A256 E259H236-V261 WeakPolarHBondContact CE1-CG1 3.47Å; A256-V261 HydrophobicContact CB-CB 4.38Å; A256-V261 WeakPolarHBondContact CB-O 3.34Å; A256-V261 CarbonylContact O-C 3.55Å; A256-V261 VanDerWaalsContact O-C 3.27Å; A256-V261 VanDerWaalsContact O-CA 3.32Å; A256-V261 WeakPolarHBondContact O-CA 3.46Å; A256-V261 PolarHBondContact O-N 2.98Å; E259-V261 VanDerWaalsContact C-N 3.34Å; E259-V261 HydrophobicContact CB-CG2 4.16Å
262V59.4Low61.4Low5 Ų575.8 Ų75.83%0.0337%0.366CS..  trans-68135.8-175.1-170.90000111.5W257 Y264 D268W257-V262 HydrophobicContact CD2-CG1 4.22Å; W257-V262 HydrophobicContact CD2-CG2 4.06Å; W257-V262 HydrophobicContact CE3-CG2 4.35Å; W257-V262 HydrophobicContact CG-CG1 4.48Å; W257-V262 HydrophobicContact CG-CG2 4.2Å; W257-V262 HydrophobicContact CZ2-CG1 3.98Å; V262-Y264 VanDerWaalsContact C-N 3.25Å; V262-Y264 HydrophobicContact CB-CD1 4.08Å; V262-Y264 HydrophobicContact CB-CD2 4.02Å; V262-Y264 HydrophobicContact CB-CE1 3.66Å; V262-Y264 HydrophobicContact CB-CE2 3.61Å; V262-Y264 HydrophobicContact CB-CG 4.25Å; V262-Y264 VanDerWaalsContact CB-CZ 3.42Å; V262-Y264 HydrophobicContact CG1-CD1 3.84Å; V262-Y264 HydrophobicContact CG1-CE1 3.68Å; V262-Y264 HydrophobicContact CG1-CE2 4.43Å; V262-Y264 HydrophobicContact CG1-CG 4.28Å; V262-Y264 HydrophobicContact CG2-CE1 4.08Å; V262-Y264 HydrophobicContact CG2-CE2 4.19Å; V262-Y264 WeakPolarHBondContact CG2-OH 3.49Å; V262-Y264 WeakPolarHBondContact O-CD2 3.41Å; V262-Y264 PolarHBondContact O-N 3.41Å; V262-D268 HydrophobicContact CG1-CB 3.39Å
263D63.9Low61Low17 Ų1773.7 Ų73.79%0.09136%0.357CS..  trans-79.672.1173.6176.819.1000111.2R205 W239 T265 G266 H267 D268 S269R205-D263 IonicContact NH2-OD1 2.76Å; W239-D263 HydrophobicContact CH2-CB 4.01Å; D263-T265 PolarHBondContact O-N 3.24Å; D263-T265 PolarHBondContact OD1-N 3.19Å; D263-T265 PolarHBondContact OD1-OG1 3.1Å; D263-G266 PolarHBondContact O-N 3.34Å; D263-G266 PolarHBondContact OD1-N 2.75Å; D263-G266 WeakPolarHBondContact OD2-CA 3.29Å; D263-G266 PolarHBondContact OD2-N 2.81Å; D263-H267 PolarHBondContact OD2-N 3.41Å; D263-D268 CarbonylContact O-C 3.57Å; D263-D268 VanDerWaalsContact O-CA 3.22Å; D263-D268 WeakPolarHBondContact O-CA 3.38Å; D263-D268 VanDerWaalsContact O-CB 3.29Å; D263-D268 WeakPolarHBondContact O-CB 3.36Å; D263-D268 PolarHBondContact O-N 3.34Å; D263-S269 PolarHBondContact O-N 3.25Å
264Y54.5Low61Low137 Ų13775.6 Ų75.654%0.53737%0.367SS..THydrogen-bonded Turntrans-60.47.9-177-64-69000115.9V262 D268 S269V262-Y264 VanDerWaalsContact C-N 3.25Å; V262-Y264 HydrophobicContact CB-CD1 4.08Å; V262-Y264 HydrophobicContact CB-CD2 4.02Å; V262-Y264 HydrophobicContact CB-CE1 3.66Å; V262-Y264 HydrophobicContact CB-CE2 3.61Å; V262-Y264 HydrophobicContact CB-CG 4.25Å; V262-Y264 VanDerWaalsContact CB-CZ 3.42Å; V262-Y264 HydrophobicContact CG1-CD1 3.84Å; V262-Y264 HydrophobicContact CG1-CE1 3.68Å; V262-Y264 HydrophobicContact CG1-CE2 4.43Å; V262-Y264 HydrophobicContact CG1-CG 4.28Å; V262-Y264 HydrophobicContact CG2-CE1 4.08Å; V262-Y264 HydrophobicContact CG2-CE2 4.19Å; V262-Y264 WeakPolarHBondContact CG2-OH 3.49Å; V262-Y264 WeakPolarHBondContact O-CD2 3.41Å; V262-Y264 PolarHBondContact O-N 3.41Å; Y264-D268 WeakPolarHBondContact CA-O 3.22Å; Y264-S269 WeakPolarHBondContact O-CA 3.23Å
265T51.1Low61.4Low66 Ų6676.8 Ų76.841%0.40537%0.37SS..THydrogen-bonded Turntrans-140.2-17.9-170.8670000115.2R205 D263R205-T265 PolarHBondContact NH1-OG1 2.89Å; R205-T265 PolarHBondContact NH2-OG1 3.05Å; D263-T265 PolarHBondContact O-N 3.24Å; D263-T265 PolarHBondContact OD1-N 3.19Å; D263-T265 PolarHBondContact OD1-OG1 3.1Å
266G67.4Low61.2Low28 Ų2877.9 Ų77.929%0.28937%0.374SS..THydrogen-bonded Turntrans-109.4-106.317100000107.8D263 D268 S269 N272D263-G266 PolarHBondContact O-N 3.34Å; D263-G266 PolarHBondContact OD1-N 2.75Å; D263-G266 WeakPolarHBondContact OD2-CA 3.29Å; D263-G266 PolarHBondContact OD2-N 2.81Å; G266-D268 VanDerWaalsContact C-N 3.31Å; G266-D268 PolarHBondContact O-N 3.4Å; G266-S269 WeakPolarHBondContact O-CB 3.46Å; G266-S269 PolarHBondContact O-N 2.74Å; G266-S269 PolarHBondContact O-OG 3.38Å; G266-N272 PolarHBondContact O-ND2 3.48Å
267H60.8Low60.7Low91 Ų9180.9 Ų80.942%0.42139%0.387SS..THydrogen-bonded Turntrans-68.3-29-170.5-74.9-69.9000114.3R253 D263R253-H267 PolarHBondContact NH2-O 3.17Å; D263-H267 PolarHBondContact OD2-N 3.41Å
268D61.9Low61.2Low6 Ų677.7 Ų77.73%0.03238%0.38CS..THydrogen-bonded Turntrans-108.425.8178.5-51.1-63.8000111.5R253 W257 V262 D263 Y264 G266 I273R253-D268 IonicContact CZ-OD1 3.34Å; R253-D268 IonicContact NE-OD1 2.77Å; R253-D268 IonicContact NE-OD2 3.23Å; R253-D268 IonicContact NH2-OD1 3.44Å; R253-D268 PolarHBondContact NH2-OD1 2.85Å; W257-D268 HydrophobicContact CZ2-CB 4.49Å; W257-D268 PolarHBondContact NE1-OD1 2.97Å; V262-D268 HydrophobicContact CG1-CB 3.39Å; D263-D268 CarbonylContact O-C 3.57Å; D263-D268 VanDerWaalsContact O-CA 3.22Å; D263-D268 WeakPolarHBondContact O-CA 3.38Å; D263-D268 VanDerWaalsContact O-CB 3.29Å; D263-D268 WeakPolarHBondContact O-CB 3.36Å; D263-D268 PolarHBondContact O-N 3.34Å; Y264-D268 WeakPolarHBondContact CA-O 3.22Å; G266-D268 VanDerWaalsContact C-N 3.31Å; G266-D268 PolarHBondContact O-N 3.4Å; D268-I273 VanDerWaalsContact O-CD1 3.23Å; D268-I273 WeakPolarHBondContact O-CD1 3.38Å
269S62.7Low61.3Low7 Ų779.3 Ų79.35%0.04939%0.385CS..  trans-59.6151.9172.778.50000112D263 Y264 G266 E271 N272 I273D263-S269 PolarHBondContact O-N 3.25Å; Y264-S269 WeakPolarHBondContact O-CA 3.23Å; G266-S269 WeakPolarHBondContact O-CB 3.46Å; G266-S269 PolarHBondContact O-N 2.74Å; G266-S269 PolarHBondContact O-OG 3.38Å; S269-E271 PolarHBondContact O-N 3.14Å; S269-N272 PolarHBondContact O-N 3.25Å; S269-N272 PolarHBondContact OG-N 2.93Å; S269-N272 PolarHBondContact OG-ND2 2.79Å; S269-I273 WeakPolarHBondContact O-CG1 3.21Å; S269-I273 PolarHBondContact O-N 3.4Å
270W57.3Low61.3Low180 Ų18077.1 Ų77.168%0.68239%0.385SS*.Hα-helixtrans-51.2-41.4175175.8-106.2000112.1N272 I273 Q274W270-N272 VanDerWaalsContact C-N 3.34Å; W270-N272 PolarHBondContact O-N 3.46Å; W270-I273 PolarHBondContact O-N 2.86Å; W270-Q274 VanDerWaalsContact O-CB 3.23Å; W270-Q274 WeakPolarHBondContact O-CB 3.41Å; W270-Q274 PolarHBondContact O-N 2.98Å
271E68.6Low61.4Low134 Ų13481.3 Ų81.363%0.62639%0.394SS*.Hα-helixtrans-63.8-38.4178.2-64.3143.7-178.500112.4S269 K275S269-E271 PolarHBondContact O-N 3.14Å; E271-K275 WeakPolarHBondContact O-CB 3.23Å; E271-K275 WeakPolarHBondContact O-CG 3.35Å; E271-K275 PolarHBondContact O-N 3.44Å
272N62.9Low61.9Low53 Ų5387.5 Ų87.528%0.28342%0.418SS..Hα-helixtrans-75.2-38.3178.1-75.7-24.8000112G266 S269 W270 K275 R276G266-N272 PolarHBondContact O-ND2 3.48Å; S269-N272 PolarHBondContact O-N 3.25Å; S269-N272 PolarHBondContact OG-N 2.93Å; S269-N272 PolarHBondContact OG-ND2 2.79Å; W270-N272 VanDerWaalsContact C-N 3.34Å; W270-N272 PolarHBondContact O-N 3.46Å; N272-K275 PolarHBondContact O-N 2.97Å; N272-R276 WeakPolarHBondContact O-CG 3.49Å; N272-R276 PolarHBondContact O-N 2.93Å
273I56.4Low61.1Low45 Ų4589.1 Ų89.123%0.23144%0.436CS..Hα-helixtrans-61.1-48.7171.4-66.8171000109.6W257 D268 S269 W270 K275 R276 L277W257-I273 HydrophobicContact CZ2-CD1 4.25Å; D268-I273 VanDerWaalsContact O-CD1 3.23Å; D268-I273 WeakPolarHBondContact O-CD1 3.38Å; S269-I273 WeakPolarHBondContact O-CG1 3.21Å; S269-I273 PolarHBondContact O-N 3.4Å; W270-I273 PolarHBondContact O-N 2.86Å; I273-K275 PolarHBondContact O-N 3.18Å; I273-R276 PolarHBondContact O-N 3.3Å; I273-R276 VanDerWaalsContact O-N 3.16Å; I273-L277 HydrophobicContact CG2-CD1 3.93Å; I273-L277 HydrophobicContact CG2-CG 4.41Å; I273-L277 WeakPolarHBondContact O-CG 3.24Å; I273-L277 PolarHBondContact O-N 3.17Å
274Q63.7Low60.2Low65 Ų6596.9 Ų96.930%0.30448%0.478SS..Hα-helixtrans-60-46.9177.3-171.165.646.800111.2W270 R276 L277 D278W270-Q274 VanDerWaalsContact O-CB 3.23Å; W270-Q274 WeakPolarHBondContact O-CB 3.41Å; W270-Q274 PolarHBondContact O-N 2.98Å; Q274-R276 VanDerWaalsContact C-N 3.29Å; Q274-R276 PolarHBondContact O-N 3Å; Q274-L277 PolarHBondContact O-N 2.93Å; Q274-D278 PolarHBondContact NE2-OD1 3.21Å; Q274-D278 WeakPolarHBondContact O-CB 3.42Å; Q274-D278 PolarHBondContact O-N 3.33Å
275K70.3Confident59.6Low138 Ų13896.3 Ų96.360%0.649%0.489SS*.Hα-helixtrans-57.8-39.9175.1-79.2171.3-174.5171.10112.8E271 N272 I273 K279E271-K275 WeakPolarHBondContact O-CB 3.23Å; E271-K275 WeakPolarHBondContact O-CG 3.35Å; E271-K275 PolarHBondContact O-N 3.44Å; N272-K275 PolarHBondContact O-N 2.97Å; I273-K275 PolarHBondContact O-N 3.18Å; K275-K279 WeakPolarHBondContact O-CB 3.34Å; K275-K279 PolarHBondContact O-N 2.87Å
276R62.6Low58.7Low144 Ų144106.1 Ų106.154%0.54353%0.53SS..Hα-helixtrans-68.3-44176.7-77.7-179.6172.8-164.7-5.4111.4N272 I273 Q274 K279 S280N272-R276 WeakPolarHBondContact O-CG 3.49Å; N272-R276 PolarHBondContact O-N 2.93Å; I273-R276 PolarHBondContact O-N 3.3Å; I273-R276 VanDerWaalsContact O-N 3.16Å; Q274-R276 VanDerWaalsContact C-N 3.29Å; Q274-R276 PolarHBondContact O-N 3Å; R276-K279 PolarHBondContact O-N 2.78Å; R276-S280 PolarHBondContact O-N 3.38Å; R276-S280 PolarHBondContact O-OG 2.8Å
277L51.3Low58.3Low84 Ų84110 Ų11044%0.4454%0.542SS..Hα-helixtrans-60.2-47.6174.8-72169.8000111.2I273 Q274 K279 S280 L281I273-L277 HydrophobicContact CG2-CD1 3.93Å; I273-L277 HydrophobicContact CG2-CG 4.41Å; I273-L277 WeakPolarHBondContact O-CG 3.24Å; I273-L277 PolarHBondContact O-N 3.17Å; Q274-L277 PolarHBondContact O-N 2.93Å; L277-K279 VanDerWaalsContact C-N 3.3Å; L277-K279 PolarHBondContact O-N 3.08Å; L277-S280 PolarHBondContact O-N 3.39Å; L277-L281 WeakPolarHBondContact O-CB 3.38Å; L277-L281 VanDerWaalsContact O-CG 3.24Å; L277-L281 WeakPolarHBondContact O-CG 3.4Å; L277-L281 PolarHBondContact O-N 3.44Å
278D71.6Confident58.2Low63 Ų63111 Ų11134%0.33755%0.548SS..Hα-helixtrans-60.9-39.2177.5-67.7-12.5000111.5Q274 K282Q274-D278 PolarHBondContact NE2-OD1 3.21Å; Q274-D278 WeakPolarHBondContact O-CB 3.42Å; Q274-D278 PolarHBondContact O-N 3.33Å; D278-K282 WeakPolarHBondContact O-CB 3.38Å; D278-K282 VanDerWaalsContact O-CG 3.29Å; D278-K282 WeakPolarHBondContact O-CG 3.29Å; D278-K282 PolarHBondContact O-N 3.16Å
279K69.4Low57.9Low171 Ų171116.8 Ų116.874%0.74358%0.577SS**Hα-helixtrans-65.8-43.6175.7-171.2-179.7179.1-175.30111.6K275 R276 L277 K282K275-K279 WeakPolarHBondContact O-CB 3.34Å; K275-K279 PolarHBondContact O-N 2.87Å; R276-K279 PolarHBondContact O-N 2.78Å; L277-K279 VanDerWaalsContact C-N 3.3Å; L277-K279 PolarHBondContact O-N 3.08Å; K279-K282 PolarHBondContact O-N 3.42Å
280S60.9Low57.7Low98 Ų98123.3 Ų123.369%0.68561%0.608SS**Hα-helixtrans-67.5-36.2177.1-63.20000112.5R276 L277 G283R276-S280 PolarHBondContact O-N 3.38Å; R276-S280 PolarHBondContact O-OG 2.8Å; L277-S280 PolarHBondContact O-N 3.39Å; S280-G283 PolarHBondContact O-N 2.85Å
281L58.6Low57.7Low143 Ų143119.8 Ų119.875%0.74960%0.603SS**Hα-helixtrans-73.6-28.1177.4-71.3167.1000112.9L277 G283L277-L281 WeakPolarHBondContact O-CB 3.38Å; L277-L281 VanDerWaalsContact O-CG 3.24Å; L277-L281 WeakPolarHBondContact O-CG 3.4Å; L277-L281 PolarHBondContact O-N 3.44Å; L281-G283 PolarHBondContact O-N 3.2Å
282K63.8Low57Low163 Ų163118.8 Ų118.871%0.70960%0.601SS**THydrogen-bonded Turntrans-80.62.9174.4-75.1178.8-178.71780114.2D278 K279D278-K282 WeakPolarHBondContact O-CB 3.38Å; D278-K282 VanDerWaalsContact O-CG 3.29Å; D278-K282 WeakPolarHBondContact O-CG 3.29Å; D278-K282 PolarHBondContact O-N 3.16Å; K279-K282 PolarHBondContact O-N 3.42Å
283G43.7Very low56.5Low39 Ų39123.5 Ų123.540%0.40262%0.624SS.*  trans37.1105.8163.200000115.9S280 L281 T285S280-G283 PolarHBondContact O-N 2.85Å; L281-G283 PolarHBondContact O-N 3.2Å; G283-T285 VanDerWaalsContact C-N 3.29Å; G283-T285 PolarHBondContact O-N 2.88Å; G283-T285 PolarHBondContact O-OG1 2.99Å; G283-T285 VanDerWaalsContact O-OG1 3.08Å
284D44.2Very low56.6Low180 Ų180129.5 Ų129.596%0.96365%0.654SS**  trans11.971.7157.3-68.3-23.4000114.7
285T41.7Very low56Low125 Ų125134.9 Ų134.977%0.76768%0.684SS**  trans-111.2112.2162.770000104.7G283G283-T285 VanDerWaalsContact C-N 3.29Å; G283-T285 PolarHBondContact O-N 2.88Å; G283-T285 PolarHBondContact O-OG1 2.99Å; G283-T285 VanDerWaalsContact O-OG1 3.08Å
286Q33.4Very low54.7Low271 Ų271134.6 Ų134.6100%1.26669%0.691SS**  trans-46.70170.5-73.6179.8-10.600111.7

Retrieved 286 of 286 residues in 132.6 ms (Link to these results)

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